#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 7dh5.1.E_min 4901 4967 321 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 82.5810 50.4050 124.4930 N.4 1 GLU1 -0.0641 2 H1 82.8361 51.2477 125.0337 H 1 GLU1 0.2750 3 H2 82.7093 49.5358 125.0675 H 1 GLU1 0.2750 4 H3 81.5582 50.3472 124.2843 H 1 GLU1 0.2750 5 CA 83.3580 50.2530 123.2250 C.3 1 GLU1 0.1935 6 HA 84.2520 49.6925 123.5044 H 1 GLU1 0.0690 7 C 83.8880 51.5240 122.5710 C.2 1 GLU1 0.2315 8 O 83.4010 51.9690 121.5420 O.2 1 GLU1 -0.2773 9 CB 82.6190 49.3979 122.1438 C.3 1 GLU1 -0.0068 10 HB1 83.2034 49.3589 121.2241 H 1 GLU1 0.0295 11 HB2 81.6840 49.8961 121.8813 H 1 GLU1 0.0295 12 CG 82.3022 47.9405 122.5580 C.3 1 GLU1 0.0360 13 HG1 83.1810 47.2996 122.4823 H 1 GLU1 0.0374 14 HG2 81.5057 47.5020 121.9569 H 1 GLU1 0.0374 15 CD 81.8720 48.0335 124.0071 C.2 1 GLU1 0.1760 16 OE1 80.7842 48.5229 124.2705 O.co2 1 GLU1 -0.6478 17 OE2 82.6688 47.7278 124.8809 O.co2 1 GLU1 -0.6478 18 N 84.9430 52.1480 123.1400 N.am 2 ALA2 -0.2455 19 H 85.3500 51.7630 123.9930 H 2 ALA2 0.1312 20 CA 85.5130 53.3590 122.5620 C.3 2 ALA2 0.0850 21 HA 84.7534 53.8719 121.9682 H 2 ALA2 0.0554 22 C 86.6970 53.0610 121.6490 C.2 2 ALA2 0.2184 23 O 87.1680 53.9060 120.8970 O.2 2 ALA2 -0.2778 24 CB 85.9570 54.2858 123.7005 C.3 2 ALA2 -0.0411 25 HB1 86.3689 55.2201 123.3157 H 2 ALA2 0.0249 26 HB2 86.7192 53.8169 124.3240 H 2 ALA2 0.0249 27 HB3 85.1145 54.5424 124.3429 H 2 ALA2 0.0249 28 N 87.1640 51.8010 121.6280 N.am 3 ALA3 -0.2459 29 H 86.7440 51.1200 122.2600 H 3 ALA3 0.1312 30 CA 88.2330 51.3570 120.7550 C.3 3 ALA3 0.0850 31 HA 89.0826 52.0178 120.9372 H 3 ALA3 0.0554 32 C 87.8840 51.4450 119.2720 C.2 3 ALA3 0.2184 33 O 88.6570 51.9310 118.4500 O.2 3 ALA3 -0.2778 34 CB 88.6078 49.9176 121.1268 C.3 3 ALA3 -0.0411 35 HB1 89.4466 49.5590 120.5288 H 3 ALA3 0.0249 36 HB2 87.7712 49.2345 120.9749 H 3 ALA3 0.0249 37 HB3 88.9016 49.8526 122.1746 H 3 ALA3 0.0249 38 N 86.6530 51.0390 118.9030 N.am 4 LEU4 -0.2457 39 H 86.0370 50.6420 119.6130 H 4 LEU4 0.1312 40 CA 86.1660 51.1420 117.5410 C.3 4 LEU4 0.0880 41 HA 86.9872 50.8457 116.8853 H 4 LEU4 0.0557 42 C 85.7780 52.5500 117.1470 C.2 4 LEU4 0.2187 43 O 85.6860 52.8870 115.9680 O.2 4 LEU4 -0.2778 44 CB 85.0023 50.1490 117.3461 C.3 4 LEU4 -0.0266 45 HB1 85.4154 49.1528 117.5096 H 4 LEU4 0.0287 46 HB2 84.6761 50.1527 116.3050 H 4 LEU4 0.0287 47 CG 83.7779 50.3279 118.2773 C.3 4 LEU4 -0.0449 48 HG 84.1152 50.6159 119.2727 H 4 LEU4 0.0296 49 CD1 82.7993 51.4032 117.7789 C.3 4 LEU4 -0.0626 50 HD11 81.9126 51.4423 118.4122 H 4 LEU4 0.0232 51 HD12 82.4679 51.1923 116.7618 H 4 LEU4 0.0232 52 HD13 83.2320 52.4004 117.7876 H 4 LEU4 0.0232 53 CD2 83.0302 48.9955 118.4294 C.3 4 LEU4 -0.0626 54 HD21 82.1641 49.0999 119.0836 H 4 LEU4 0.0232 55 HD22 83.6745 48.2273 118.8579 H 4 LEU4 0.0232 56 HD23 82.6739 48.6324 117.4649 H 4 LEU4 0.0232 57 N 85.6240 53.4570 118.1280 N.am 5 ALA5 -0.2459 58 H 85.5830 53.1410 119.0970 H 5 ALA5 0.1312 59 CA 85.5160 54.8670 117.8410 C.3 5 ALA5 0.0850 60 HA 84.7029 54.9658 117.1210 H 5 ALA5 0.0554 61 C 86.7810 55.4240 117.1990 C.2 5 ALA5 0.2182 62 O 86.7130 56.2870 116.3350 O.2 5 ALA5 -0.2778 63 CB 85.1482 55.6508 119.1006 C.3 5 ALA5 -0.0411 64 HB1 84.8929 56.6774 118.8380 H 5 ALA5 0.0249 65 HB2 85.9675 55.6860 119.8163 H 5 ALA5 0.0249 66 HB3 84.2835 55.2118 119.5981 H 5 ALA5 0.0249 67 N 87.9710 54.8870 117.5410 N.am 6 GLY6 -0.2485 68 H 88.0170 54.3120 118.3820 H 6 GLY6 0.1309 69 CA 89.2020 55.0850 116.7690 C.3 6 GLY6 0.0765 70 HA1 89.9473 54.4070 117.1835 H 6 GLY6 0.0521 71 HA2 89.5300 56.1096 116.9466 H 6 GLY6 0.0521 72 C 89.0930 54.8510 115.2780 C.2 6 GLY6 0.2155 73 O 89.5350 55.6610 114.4680 O.2 6 GLY6 -0.2781 74 N 88.4640 53.7360 114.8670 N.am 7 ALA7 -0.2462 75 H 88.1960 53.0430 115.5660 H 7 ALA7 0.1311 76 CA 88.1500 53.4740 113.4770 C.3 7 ALA7 0.0850 77 HA 89.0827 53.5796 112.9207 H 7 ALA7 0.0554 78 C 87.1440 54.4560 112.8880 C.2 7 ALA7 0.2184 79 O 87.2950 54.9150 111.7570 O.2 7 ALA7 -0.2778 80 CB 87.6344 52.0364 113.3442 C.3 7 ALA7 -0.0411 81 HB1 87.4590 51.7746 112.3002 H 7 ALA7 0.0249 82 HB2 86.6994 51.8927 113.8856 H 7 ALA7 0.0249 83 HB3 88.3595 51.3276 113.7441 H 7 ALA7 0.0249 84 N 86.1140 54.8470 113.6690 N.am 8 LEU8 -0.2457 85 H 85.9850 54.3820 114.5680 H 8 LEU8 0.1312 86 CA 85.1790 55.8960 113.2950 C.3 8 LEU8 0.0880 87 HA 84.7345 55.5783 112.3512 H 8 LEU8 0.0557 88 C 85.8690 57.2340 113.0560 C.2 8 LEU8 0.2187 89 O 85.6210 57.8830 112.0470 O.2 8 LEU8 -0.2778 90 CB 84.0879 56.0336 114.3731 C.3 8 LEU8 -0.0266 91 HB1 84.5588 56.2551 115.3271 H 8 LEU8 0.0287 92 HB2 83.5901 55.0719 114.5014 H 8 LEU8 0.0287 93 CG 83.0351 57.1279 114.1014 C.3 8 LEU8 -0.0449 94 HG 83.5435 58.0875 113.9989 H 8 LEU8 0.0296 95 CD1 82.2568 56.8696 112.8046 C.3 8 LEU8 -0.0626 96 HD11 81.4973 57.6357 112.6472 H 8 LEU8 0.0232 97 HD12 81.7548 55.9023 112.8318 H 8 LEU8 0.0232 98 HD13 82.9143 56.8841 111.9353 H 8 LEU8 0.0232 99 CD2 82.0796 57.2646 115.2935 C.3 8 LEU8 -0.0626 100 HD21 81.3620 58.0694 115.1307 H 8 LEU8 0.0232 101 HD22 82.6259 57.4929 116.2093 H 8 LEU8 0.0232 102 HD23 81.5195 56.3439 115.4581 H 8 LEU8 0.0232 103 N 86.8140 57.6500 113.9230 N.am 9 LEU9 -0.2456 104 H 86.9670 57.1010 114.7690 H 9 LEU9 0.1312 105 CA 87.6300 58.8410 113.7200 C.3 9 LEU9 0.0880 106 HA 86.9434 59.6797 113.5966 H 9 LEU9 0.0557 107 C 88.4750 58.7620 112.4650 C.2 9 LEU9 0.2187 108 O 88.5070 59.6970 111.6670 O.2 9 LEU9 -0.2778 109 CB 88.5788 59.0891 114.9188 C.3 9 LEU9 -0.0266 110 HB1 89.4452 59.6565 114.5715 H 9 LEU9 0.0287 111 HB2 88.9852 58.1431 115.2793 H 9 LEU9 0.0287 112 CG 87.9832 59.8979 116.0880 C.3 9 LEU9 -0.0449 113 HG 87.3860 60.7148 115.6803 H 9 LEU9 0.0296 114 CD1 87.0875 59.0426 116.9837 C.3 9 LEU9 -0.0626 115 HD11 86.6950 59.6220 117.8151 H 9 LEU9 0.0232 116 HD12 87.6519 58.2169 117.4155 H 9 LEU9 0.0232 117 HD13 86.2384 58.6425 116.4319 H 9 LEU9 0.0232 118 CD2 89.1049 60.5243 116.9316 C.3 9 LEU9 -0.0626 119 HD21 88.7077 61.0871 117.7759 H 9 LEU9 0.0232 120 HD22 89.7087 61.2100 116.3366 H 9 LEU9 0.0232 121 HD23 89.7679 59.7568 117.3319 H 9 LEU9 0.0232 122 N 89.1650 57.6270 112.2510 N.am 10 ALA10 -0.2459 123 H 89.0750 56.8680 112.9260 H 10 ALA10 0.1312 124 CA 90.0270 57.4350 111.1090 C.3 10 ALA10 0.0850 125 HA 90.7511 58.2511 111.1195 H 10 ALA10 0.0554 126 C 89.2890 57.4790 109.7810 C.2 10 ALA10 0.2184 127 O 89.6790 58.1910 108.8590 O.2 10 ALA10 -0.2778 128 CB 90.7478 56.0920 111.2728 C.3 10 ALA10 -0.0411 129 HB1 91.4522 55.9162 110.4590 H 10 ALA10 0.0249 130 HB2 90.0409 55.2615 111.2940 H 10 ALA10 0.0249 131 HB3 91.3086 56.0673 112.2074 H 10 ALA10 0.0249 132 N 88.1570 56.7590 109.6790 N.am 11 LEU11 -0.2457 133 H 87.8870 56.1600 110.4590 H 11 LEU11 0.1312 134 CA 87.3050 56.7990 108.5060 C.3 11 LEU11 0.0880 135 HA 87.9438 56.6176 107.6403 H 11 LEU11 0.0557 136 C 86.6230 58.1530 108.3290 C.2 11 LEU11 0.2187 137 O 86.6490 58.7260 107.2430 O.2 11 LEU11 -0.2778 138 CB 86.2753 55.6634 108.6586 C.3 11 LEU11 -0.0266 139 HB1 85.6307 55.8466 109.5201 H 11 LEU11 0.0287 140 HB2 86.8377 54.7635 108.9115 H 11 LEU11 0.0287 141 CG 85.4215 55.3591 107.4084 C.3 11 LEU11 -0.0449 142 HG 86.0573 55.4431 106.5261 H 11 LEU11 0.0296 143 CD1 84.9049 53.9143 107.4607 C.3 11 LEU11 -0.0626 144 HD11 84.3257 53.6707 106.5697 H 11 LEU11 0.0232 145 HD12 84.2643 53.7573 108.3291 H 11 LEU11 0.0232 146 HD13 85.7289 53.2028 107.5208 H 11 LEU11 0.0232 147 CD2 84.2328 56.3206 107.2425 C.3 11 LEU11 -0.0626 148 HD21 83.5857 55.9994 106.4261 H 11 LEU11 0.0232 149 HD22 84.5464 57.3349 107.0061 H 11 LEU11 0.0232 150 HD23 83.6269 56.3583 108.1482 H 11 LEU11 0.0232 151 N 86.0530 58.7500 109.3960 N.am 12 ALA12 -0.2459 152 H 86.0750 58.2720 110.2970 H 12 ALA12 0.1312 153 CA 85.4100 60.0480 109.3090 C.3 12 ALA12 0.0850 154 HA 84.6813 59.9682 108.5003 H 12 ALA12 0.0554 155 C 86.2990 61.2500 108.9920 C.2 12 ALA12 0.2184 156 O 85.9900 62.0250 108.0930 O.2 12 ALA12 -0.2778 157 CB 84.6620 60.3112 110.6222 C.3 12 ALA12 -0.0411 158 HB1 84.0844 61.2351 110.5742 H 12 ALA12 0.0249 159 HB2 85.3521 60.3908 111.4634 H 12 ALA12 0.0249 160 HB3 83.9655 59.5013 110.8402 H 12 ALA12 0.0249 161 N 87.4390 61.4540 109.6870 N.am 13 VAL13 -0.2454 162 H 87.6990 60.7890 110.4160 H 13 VAL13 0.1312 163 CA 88.3120 62.5980 109.4280 C.3 13 VAL13 0.0901 164 HA 87.6854 63.4910 109.4651 H 13 VAL13 0.0560 165 C 88.9310 62.5380 108.0480 C.2 13 VAL13 0.2189 166 O 88.8860 63.5200 107.3090 O.2 13 VAL13 -0.2778 167 CB 89.3907 62.6762 110.5333 C.3 13 VAL13 -0.0227 168 HB 89.8825 61.7039 110.5936 H 13 VAL13 0.0315 169 CG1 90.4794 63.7251 110.2407 C.3 13 VAL13 -0.0608 170 HG11 91.1810 63.8031 111.0714 H 13 VAL13 0.0233 171 HG12 90.0449 64.7108 110.0804 H 13 VAL13 0.0233 172 HG13 91.0603 63.4703 109.3539 H 13 VAL13 0.0233 173 CG2 88.7566 62.9656 111.9024 C.3 13 VAL13 -0.0608 174 HG21 89.5081 62.9573 112.6922 H 13 VAL13 0.0233 175 HG22 87.9991 62.2277 112.1665 H 13 VAL13 0.0233 176 HG23 88.2853 63.9487 111.9072 H 13 VAL13 0.0233 177 N 89.4660 61.3680 107.6400 N.am 14 LEU14 -0.2456 178 H 89.4610 60.5800 108.2880 H 14 LEU14 0.1312 179 CA 90.0480 61.1760 106.3250 C.3 14 LEU14 0.0880 180 HA 90.7870 61.9634 106.1962 H 14 LEU14 0.0557 181 C 89.0540 61.3180 105.1870 C.2 14 LEU14 0.2187 182 O 89.3510 61.9790 104.1910 O.2 14 LEU14 -0.2778 183 CB 90.7489 59.8079 106.2650 C.3 14 LEU14 -0.0266 184 HB1 91.1487 59.6445 105.2630 H 14 LEU14 0.0287 185 HB2 90.0076 59.0233 106.4251 H 14 LEU14 0.0287 186 CG 91.8938 59.6404 107.2850 C.3 14 LEU14 -0.0449 187 HG 91.4983 59.8005 108.2883 H 14 LEU14 0.0296 188 CD1 92.4496 58.2109 107.2365 C.3 14 LEU14 -0.0626 189 HD11 93.2196 58.0636 107.9940 H 14 LEU14 0.0232 190 HD12 92.8913 57.9936 106.2637 H 14 LEU14 0.0232 191 HD13 91.6662 57.4747 107.4166 H 14 LEU14 0.0232 192 CD2 93.0235 60.6570 107.0650 C.3 14 LEU14 -0.0626 193 HD21 93.8498 60.4744 107.7524 H 14 LEU14 0.0232 194 HD22 92.6859 61.6786 107.2372 H 14 LEU14 0.0232 195 HD23 93.4160 60.5970 106.0497 H 14 LEU14 0.0232 196 N 87.8330 60.7490 105.3030 N.am 15 ALA15 -0.2459 197 H 87.6280 60.1730 106.1200 H 15 ALA15 0.1312 198 CA 86.8070 60.9370 104.2940 C.3 15 ALA15 0.0850 199 HA 87.2195 60.5835 103.3480 H 15 ALA15 0.0554 200 C 86.4100 62.4000 104.1280 C.2 15 ALA15 0.2185 201 O 86.3770 62.9290 103.0160 O.2 15 ALA15 -0.2778 202 CB 85.5803 60.1025 104.6824 C.3 15 ALA15 -0.0411 203 HB1 84.7840 60.1958 103.9431 H 15 ALA15 0.0249 204 HB2 85.1796 60.4112 105.6494 H 15 ALA15 0.0249 205 HB3 85.8391 59.0463 104.7561 H 15 ALA15 0.0249 206 N 86.1820 63.1170 105.2450 N.am 16 THR16 -0.2434 207 H 86.2550 62.6540 106.1510 H 16 THR16 0.1313 208 CA 85.8350 64.5290 105.2050 C.3 16 THR16 0.1135 209 HA 84.9693 64.6074 104.5448 H 16 THR16 0.0583 210 C 86.9300 65.4050 104.6390 C.2 16 THR16 0.2212 211 O 86.6990 66.1930 103.7240 O.2 16 THR16 -0.2777 212 CB 85.4398 65.0359 106.6080 C.3 16 THR16 0.0763 213 HB 86.3415 65.0373 107.2340 H 16 THR16 0.0611 214 OG1 84.4909 64.1409 107.1614 O.3 16 THR16 -0.3900 215 HG1 84.2827 64.3819 108.0587 H 16 THR16 0.2098 216 CG2 84.8259 66.4502 106.5531 C.3 16 THR16 -0.0370 217 HG21 84.5237 66.8113 107.5361 H 16 THR16 0.0255 218 HG22 83.9421 66.4642 105.9164 H 16 THR16 0.0255 219 HG23 85.5309 67.1768 106.1497 H 16 THR16 0.0255 220 N 88.1820 65.3010 105.1220 N.am 17 VAL17 -0.2453 221 H 88.3870 64.6210 105.8540 H 17 VAL17 0.1312 222 CA 89.2490 66.1530 104.6070 C.3 17 VAL17 0.0901 223 HA 88.8219 67.1564 104.5689 H 17 VAL17 0.0560 224 C 89.6300 65.8130 103.1840 C.2 17 VAL17 0.2187 225 O 89.8010 66.7040 102.3560 O.2 17 VAL17 -0.2778 226 CB 90.4615 66.2264 105.5596 C.3 17 VAL17 -0.0227 227 HB 91.1272 67.0014 105.1753 H 17 VAL17 0.0315 228 CG1 90.0417 66.6794 106.9685 C.3 17 VAL17 -0.0608 229 HG11 90.9121 66.8261 107.6084 H 17 VAL17 0.0233 230 HG12 89.3966 65.9504 107.4575 H 17 VAL17 0.0233 231 HG13 89.5005 67.6254 106.9322 H 17 VAL17 0.0233 232 CG2 91.2783 64.9279 105.6056 C.3 17 VAL17 -0.0608 233 HG21 92.0497 64.9720 106.3746 H 17 VAL17 0.0233 234 HG22 91.7771 64.7377 104.6555 H 17 VAL17 0.0233 235 HG23 90.6430 64.0737 105.8155 H 17 VAL17 0.0233 236 N 89.7120 64.5110 102.8340 N.am 18 GLY18 -0.2485 237 H 89.4930 63.7980 103.5300 H 18 GLY18 0.1309 238 CA 90.1020 64.0920 101.4960 C.3 18 GLY18 0.0765 239 HA1 90.2863 63.0192 101.5412 H 18 GLY18 0.0521 240 HA2 91.0328 64.5978 101.2359 H 18 GLY18 0.0521 241 C 89.0610 64.3730 100.4570 C.2 18 GLY18 0.2153 242 O 89.3800 64.8160 99.3580 O.2 18 GLY18 -0.2781 243 N 87.7680 64.1720 100.7800 N.am 19 GLY19 -0.2487 244 H 87.5330 63.8310 101.7120 H 19 GLY19 0.1309 245 CA 86.6990 64.4320 99.8250 C.3 19 GLY19 0.0765 246 HA1 85.7917 63.9869 100.2331 H 19 GLY19 0.0521 247 HA2 86.9419 63.9365 98.8837 H 19 GLY19 0.0521 248 C 86.4700 65.8970 99.5920 C.2 19 GLY19 0.2155 249 O 86.3040 66.3380 98.4600 O.2 19 GLY19 -0.2781 250 N 86.4990 66.7210 100.6540 N.am 20 ASN20 -0.2454 251 H 86.6000 66.3260 101.5890 H 20 ASN20 0.1312 252 CA 86.3900 68.1590 100.5000 C.3 20 ASN20 0.0957 253 HA 85.5428 68.3338 99.8316 H 20 ASN20 0.0562 254 C 87.5830 68.8150 99.8180 C.2 20 ASN20 0.2191 255 O 87.4060 69.6740 98.9580 O.2 20 ASN20 -0.2778 256 CB 86.1068 68.8237 101.8548 C.3 20 ASN20 0.0446 257 HB1 86.2008 69.9029 101.7645 H 20 ASN20 0.0375 258 HB2 86.8005 68.4924 102.6274 H 20 ASN20 0.0375 259 CG 84.6582 68.5534 102.2680 C.2 20 ASN20 0.2000 260 OD1 83.7347 68.9198 101.5598 O.2 20 ASN20 -0.2797 261 ND2 84.4991 67.9019 103.4258 N.am 20 ASN20 -0.2723 262 HD21 83.5679 67.6900 103.7274 H 20 ASN20 0.1266 263 HD22 85.2715 67.6255 103.9939 H 20 ASN20 0.1266 264 N 88.8350 68.4140 100.1270 N.am 21 LEU21 -0.2456 265 H 88.9760 67.7600 100.8970 H 21 LEU21 0.1312 266 CA 89.9880 68.8990 99.3790 C.3 21 LEU21 0.0880 267 HA 89.9868 69.9873 99.4392 H 21 LEU21 0.0557 268 C 89.9470 68.5130 97.9100 C.2 21 LEU21 0.2187 269 O 90.2370 69.3290 97.0400 O.2 21 LEU21 -0.2778 270 CB 91.2742 68.3023 99.9870 C.3 21 LEU21 -0.0266 271 HB1 92.1018 68.3518 99.2763 H 21 LEU21 0.0287 272 HB2 91.1096 67.2386 100.1680 H 21 LEU21 0.0287 273 CG 91.7294 68.9894 101.2827 C.3 21 LEU21 -0.0449 274 HG 90.8562 69.1367 101.9135 H 21 LEU21 0.0296 275 CD1 92.7179 68.1074 102.0573 C.3 21 LEU21 -0.0626 276 HD11 93.0019 68.5747 103.0006 H 21 LEU21 0.0232 277 HD12 93.6274 67.9365 101.4809 H 21 LEU21 0.0232 278 HD13 92.2864 67.1344 102.2911 H 21 LEU21 0.0232 279 CD2 92.3607 70.3581 100.9907 C.3 21 LEU21 -0.0626 280 HD21 92.7233 70.8246 101.9062 H 21 LEU21 0.0232 281 HD22 91.6487 71.0415 100.5289 H 21 LEU21 0.0232 282 HD23 93.2115 70.2610 100.3159 H 21 LEU21 0.0232 283 N 89.5400 67.2690 97.5840 N.am 22 LEU22 -0.2456 284 H 89.3330 66.6080 98.3330 H 22 LEU22 0.1312 285 CA 89.3860 66.8360 96.2070 C.3 22 LEU22 0.0880 286 HA 90.3544 66.9796 95.7261 H 22 LEU22 0.0557 287 C 88.3560 67.6510 95.4350 C.2 22 LEU22 0.2187 288 O 88.6050 68.0770 94.3080 O.2 22 LEU22 -0.2778 289 CB 89.0140 65.3416 96.2110 C.3 22 LEU22 -0.0266 290 HB1 88.1272 65.1995 96.8304 H 22 LEU22 0.0287 291 HB2 89.8107 64.7815 96.7012 H 22 LEU22 0.0287 292 CG 88.7505 64.7318 94.8198 C.3 22 LEU22 -0.0449 293 HG 87.9139 65.2622 94.3694 H 22 LEU22 0.0296 294 CD1 89.9547 64.8734 93.8787 C.3 22 LEU22 -0.0626 295 HD11 89.7502 64.4077 92.9134 H 22 LEU22 0.0232 296 HD12 90.8408 64.3949 94.2957 H 22 LEU22 0.0232 297 HD13 90.1934 65.9190 93.6855 H 22 LEU22 0.0232 298 CD2 88.3279 63.2629 94.9368 C.3 22 LEU22 -0.0626 299 HD21 88.0935 62.8462 93.9561 H 22 LEU22 0.0232 300 HD22 87.4401 63.1579 95.5606 H 22 LEU22 0.0232 301 HD23 89.1216 62.6575 95.3748 H 22 LEU22 0.0232 302 N 87.1980 67.9670 96.0540 N.am 23 VAL23 -0.2454 303 H 86.9970 67.5400 96.9580 H 23 VAL23 0.1312 304 CA 86.2220 68.8900 95.4880 C.3 23 VAL23 0.0901 305 HA 85.9536 68.4878 94.5103 H 23 VAL23 0.0560 306 C 86.7850 70.2880 95.2440 C.2 23 VAL23 0.2189 307 O 86.6470 70.8230 94.1460 O.2 23 VAL23 -0.2778 308 CB 84.9609 68.9206 96.3856 C.3 23 VAL23 -0.0227 309 HB 85.2836 69.1081 97.4111 H 23 VAL23 0.0315 310 CG1 83.9651 70.0315 96.0015 C.3 23 VAL23 -0.0608 311 HG11 83.0676 69.9808 96.6188 H 23 VAL23 0.0233 312 HG12 83.6559 69.9395 94.9600 H 23 VAL23 0.0233 313 HG13 84.3891 71.0265 96.1397 H 23 VAL23 0.0233 314 CG2 84.2312 67.5675 96.3603 C.3 23 VAL23 -0.0608 315 HG21 83.4292 67.5421 97.0987 H 23 VAL23 0.0233 316 HG22 84.8967 66.7324 96.5685 H 23 VAL23 0.0233 317 HG23 83.7862 67.3854 95.3829 H 23 VAL23 0.0233 318 N 87.4980 70.9020 96.2170 N.am 24 ILE24 -0.2454 319 H 87.6070 70.4370 97.1180 H 24 ILE24 0.1312 320 CA 88.1170 72.2120 96.0170 C.3 24 ILE24 0.0903 321 HA 87.3170 72.8913 95.7173 H 24 ILE24 0.0560 322 C 89.1520 72.2000 94.8920 C.2 24 ILE24 0.2189 323 O 89.1340 73.0590 94.0110 O.2 24 ILE24 -0.2778 324 CB 88.7292 72.6852 97.3576 C.3 24 ILE24 -0.0201 325 HB 89.4226 71.9091 97.6871 H 24 ILE24 0.0318 326 CG1 87.6449 72.8445 98.4441 C.3 24 ILE24 -0.0514 327 HG11 86.9278 72.0312 98.3781 H 24 ILE24 0.0266 328 HG12 87.0696 73.7550 98.2714 H 24 ILE24 0.0266 329 CG2 89.5214 73.9979 97.2096 C.3 24 ILE24 -0.0605 330 HG21 89.9310 74.3258 98.1643 H 24 ILE24 0.0233 331 HG22 88.8856 74.7974 96.8282 H 24 ILE24 0.0233 332 HG23 90.3647 73.8884 96.5277 H 24 ILE24 0.0233 333 CD1 88.2086 72.8412 99.8696 C.3 24 ILE24 -0.0650 334 HD11 87.4064 72.8916 100.6046 H 24 ILE24 0.0230 335 HD12 88.8717 73.6868 100.0470 H 24 ILE24 0.0230 336 HD13 88.7675 71.9258 100.0596 H 24 ILE24 0.0230 337 N 90.0460 71.1920 94.8480 N.am 25 VAL25 -0.2454 338 H 90.0090 70.4830 95.5810 H 25 VAL25 0.1312 339 CA 91.0630 71.0570 93.8120 C.3 25 VAL25 0.0901 340 HA 91.6097 72.0008 93.7894 H 25 VAL25 0.0560 341 C 90.4820 70.8510 92.4210 C.2 25 VAL25 0.2189 342 O 90.8660 71.5270 91.4670 O.2 25 VAL25 -0.2778 343 CB 92.0221 69.9176 94.2241 C.3 25 VAL25 -0.0227 344 HB 91.4211 69.0341 94.4478 H 25 VAL25 0.0315 345 CG1 93.0139 69.5397 93.1142 C.3 25 VAL25 -0.0608 346 HG11 93.7160 68.7783 93.4540 H 25 VAL25 0.0233 347 HG12 93.5869 70.4146 92.8136 H 25 VAL25 0.0233 348 HG13 92.5117 69.1438 92.2311 H 25 VAL25 0.0233 349 CG2 92.8093 70.2943 95.4906 C.3 25 VAL25 -0.0608 350 HG21 93.4092 69.4540 95.8404 H 25 VAL25 0.0233 351 HG22 92.1597 70.5957 96.3105 H 25 VAL25 0.0233 352 HG23 93.4865 71.1257 95.2933 H 25 VAL25 0.0233 353 N 89.4990 69.9440 92.2650 N.am 26 ALA26 -0.2459 354 H 89.1840 69.4110 93.0760 H 26 ALA26 0.1312 355 CA 88.8750 69.7020 90.9790 C.3 26 ALA26 0.0850 356 HA 89.6768 69.4682 90.2765 H 26 ALA26 0.0554 357 C 88.1000 70.8940 90.4390 C.2 26 ALA26 0.2184 358 O 88.1250 71.1710 89.2430 O.2 26 ALA26 -0.2778 359 CB 87.9416 68.4955 91.1079 C.3 26 ALA26 -0.0411 360 HB1 87.5086 68.2168 90.1460 H 26 ALA26 0.0249 361 HB2 87.1252 68.7057 91.7994 H 26 ALA26 0.0249 362 HB3 88.4853 67.6297 91.4861 H 26 ALA26 0.0249 363 N 87.4070 71.6620 91.3040 N.am 27 ILE27 -0.2454 364 H 87.2820 71.3400 92.2640 H 27 ILE27 0.1312 365 CA 86.8310 72.9400 90.9050 C.3 27 ILE27 0.0903 366 HA 86.2681 72.7344 89.9935 H 27 ILE27 0.0560 367 C 87.8950 73.9670 90.5330 C.2 27 ILE27 0.2189 368 O 87.7990 74.6350 89.5060 O.2 27 ILE27 -0.2778 369 CB 85.8424 73.5013 91.9558 C.3 27 ILE27 -0.0201 370 HB 86.3963 73.6915 92.8770 H 27 ILE27 0.0318 371 CG1 84.7201 72.4977 92.2801 C.3 27 ILE27 -0.0514 372 HG11 85.1488 71.5104 92.4235 H 27 ILE27 0.0266 373 HG12 84.0423 72.4077 91.4304 H 27 ILE27 0.0266 374 CG2 85.2255 74.8250 91.4610 C.3 27 ILE27 -0.0605 375 HG21 84.3848 75.1443 92.0721 H 27 ILE27 0.0233 376 HG22 84.8516 74.7176 90.4439 H 27 ILE27 0.0233 377 HG23 85.9577 75.6324 91.4593 H 27 ILE27 0.0233 378 CD1 83.9309 72.8508 93.5499 C.3 27 ILE27 -0.0650 379 HD11 83.2375 72.0529 93.8108 H 27 ILE27 0.0230 380 HD12 83.3450 73.7610 93.4281 H 27 ILE27 0.0230 381 HD13 84.5988 72.9912 94.4005 H 27 ILE27 0.0230 382 N 88.9680 74.0950 91.3340 N.am 28 ALA28 -0.2459 383 H 89.0290 73.5090 92.1670 H 28 ALA28 0.1312 384 CA 90.0410 75.0290 91.0650 C.3 28 ALA28 0.0850 385 HA 89.5810 76.0168 91.0174 H 28 ALA28 0.0554 386 C 90.8130 74.8190 89.7640 C.2 28 ALA28 0.2184 387 O 91.1060 75.7760 89.0510 O.2 28 ALA28 -0.2778 388 CB 91.0165 74.9787 92.2477 C.3 28 ALA28 -0.0411 389 HB1 91.8159 75.7123 92.1388 H 28 ALA28 0.0249 390 HB2 91.4758 73.9939 92.3418 H 28 ALA28 0.0249 391 HB3 90.5008 75.1907 93.1843 H 28 ALA28 0.0249 392 N 91.1820 73.5720 89.4160 N.am 29 TRP29 -0.2453 393 H 90.8050 72.7780 89.9330 H 29 TRP29 0.1312 394 CA 92.1070 73.3320 88.3170 C.3 29 TRP29 0.0918 395 HA 92.5891 74.2659 88.0240 H 29 TRP29 0.0560 396 C 91.4330 72.7610 87.0660 C.2 29 TRP29 0.2191 397 O 92.1040 72.3330 86.1300 O.2 29 TRP29 -0.2778 398 CB 93.1786 72.3227 88.7771 C.3 29 TRP29 -0.0021 399 HB1 93.8622 72.0904 87.9591 H 29 TRP29 0.0334 400 HB2 92.7028 71.3838 89.0663 H 29 TRP29 0.0334 401 CG 94.0177 72.8169 89.9425 C.ar 29 TRP29 -0.0260 402 CD1 94.1177 74.1208 90.4443 C.ar 29 TRP29 -0.0136 403 HD1 93.5891 74.9860 90.0719 H 29 TRP29 0.0748 404 CD2 94.9332 72.0177 90.7188 C.ar 29 TRP29 -0.0028 405 NE1 94.9737 74.1339 91.4957 N.ar 29 TRP29 -0.2641 406 HE1 95.1996 74.9252 92.0274 H 29 TRP29 0.1331 407 CE2 95.5036 72.8666 91.6951 C.ar 29 TRP29 0.0269 408 CE3 95.2965 70.6983 90.6605 C.ar 29 TRP29 -0.0528 409 HE3 94.8565 70.0524 89.9147 H 29 TRP29 0.0624 410 CZ2 96.4062 72.3663 92.5939 C.ar 29 TRP29 -0.0430 411 HZ2 96.8364 73.0185 93.3390 H 29 TRP29 0.0633 412 CZ3 96.2212 70.1862 91.5712 C.ar 29 TRP29 -0.0611 413 HZ3 96.5004 69.1434 91.5286 H 29 TRP29 0.0618 414 CH2 96.7737 71.0208 92.5430 C.ar 29 TRP29 -0.0602 415 HH2 97.4867 70.6273 93.2524 H 29 TRP29 0.0618 416 N 90.0860 72.7970 86.9780 N.am 30 THR30 -0.2434 417 H 89.5550 73.1400 87.7790 H 30 THR30 0.1313 418 CA 89.3510 72.3660 85.7850 C.3 30 THR30 0.1137 419 HA 90.0470 71.9761 85.0475 H 30 THR30 0.0583 420 C 88.5520 73.5390 85.2520 C.2 30 THR30 0.2239 421 O 87.6910 74.0300 85.9830 O.2 30 THR30 -0.2775 422 CB 88.3747 71.2333 86.1699 C.3 30 THR30 0.0763 423 HB 87.6874 71.5821 86.9476 H 30 THR30 0.0611 424 OG1 89.0838 70.0986 86.6286 O.3 30 THR30 -0.3900 425 HG1 89.5767 70.3162 87.4164 H 30 THR30 0.2098 426 CG2 87.5157 70.7448 84.9973 C.3 30 THR30 -0.0370 427 HG21 86.8936 69.9037 85.3041 H 30 THR30 0.0255 428 HG22 88.1381 70.4154 84.1658 H 30 THR30 0.0255 429 HG23 86.8494 71.5277 84.6393 H 30 THR30 0.0255 430 N 88.7180 74.0560 84.0220 N.am 31 PRO31 -0.2315 431 CA 88.0230 75.2690 83.5800 C.3 31 PRO31 0.0907 432 HA 88.2210 76.0543 84.3116 H 31 PRO31 0.0559 433 C 86.5330 75.0420 83.4300 C.2 31 PRO31 0.2189 434 O 85.7410 75.9610 83.6070 O.2 31 PRO31 -0.2778 435 CB 88.6560 75.5773 82.2111 C.3 31 PRO31 -0.0276 436 HB1 88.8641 76.6404 82.0876 H 31 PRO31 0.0285 437 HB2 88.0028 75.2827 81.3875 H 31 PRO31 0.0285 438 CG 89.9256 74.7330 82.1405 C.3 31 PRO31 -0.0379 439 HG1 90.7595 75.3104 82.5420 H 31 PRO31 0.0278 440 HG2 90.1865 74.4441 81.1222 H 31 PRO31 0.0278 441 CD 89.6689 73.5310 83.0471 C.3 31 PRO31 0.0071 442 HD1 89.1896 72.6984 82.5309 H 31 PRO31 0.0431 443 HD2 90.5964 73.2159 83.5258 H 31 PRO31 0.0431 444 N 86.1300 73.8010 83.1110 N.am 32 ARG32 -0.2456 445 H 86.8450 73.0890 82.9650 H 32 ARG32 0.1312 446 CA 84.7430 73.4110 82.9610 C.3 32 ARG32 0.0879 447 HA 84.2903 74.1273 82.2731 H 32 ARG32 0.0557 448 C 83.9400 73.4600 84.2620 C.2 32 ARG32 0.2187 449 O 82.7340 73.6910 84.2610 O.2 32 ARG32 -0.2778 450 CB 84.7429 72.0146 82.3194 C.3 32 ARG32 -0.0258 451 HB1 85.2798 71.3150 82.9605 H 32 ARG32 0.0286 452 HB2 85.3146 72.0767 81.3927 H 32 ARG32 0.0286 453 CG 83.3508 71.4472 82.0050 C.3 32 ARG32 -0.0154 454 HG1 82.7050 72.2354 81.6168 H 32 ARG32 0.0299 455 HG2 82.8888 71.1064 82.9315 H 32 ARG32 0.0299 456 CD 83.3999 70.3030 80.9785 C.3 32 ARG32 0.1045 457 HD1 83.7480 70.6817 80.0163 H 32 ARG32 0.0711 458 HD2 82.4120 69.8786 80.7926 H 32 ARG32 0.0711 459 NE 84.3635 69.2743 81.3926 N.pl3 32 ARG32 -0.4450 460 HE 85.3165 69.5290 81.5096 H 32 ARG32 0.3153 461 CZ 84.0738 67.9988 81.6410 C.cat 32 ARG32 0.5062 462 NH1 85.0404 67.1822 81.9547 N.pl3 32 ARG32 -0.4573 463 HH11 84.8088 66.2434 82.2144 H 32 ARG32 0.3114 464 HH12 85.9896 67.4749 81.9566 H 32 ARG32 0.3114 465 NH2 82.8649 67.5315 81.5916 N.pl3 32 ARG32 -0.4573 466 HH21 82.6497 66.5625 81.6242 H 32 ARG32 0.3114 467 HH22 82.0800 68.1697 81.5605 H 32 ARG32 0.3114 468 N 84.5930 73.2770 85.4280 N.am 33 LEU33 -0.2456 469 H 85.6100 73.2040 85.4190 H 33 LEU33 0.1312 470 CA 83.8890 73.1810 86.6970 C.3 33 LEU33 0.0880 471 HA 82.8648 72.8598 86.5088 H 33 LEU33 0.0557 472 C 83.7900 74.5130 87.4180 C.2 33 LEU33 0.2187 473 O 83.2770 74.5960 88.5330 O.2 33 LEU33 -0.2778 474 CB 84.5978 72.1730 87.6208 C.3 33 LEU33 -0.0266 475 HB1 84.2852 72.3129 88.6576 H 33 LEU33 0.0287 476 HB2 85.6696 72.3742 87.6099 H 33 LEU33 0.0287 477 CG 84.3329 70.7020 87.2697 C.3 33 LEU33 -0.0449 478 HG 84.5925 70.5298 86.2244 H 33 LEU33 0.0296 479 CD1 85.2161 69.7984 88.1331 C.3 33 LEU33 -0.0626 480 HD11 84.9605 68.7571 87.9600 H 33 LEU33 0.0232 481 HD12 85.0766 69.9984 89.1962 H 33 LEU33 0.0232 482 HD13 86.2727 69.9303 87.9023 H 33 LEU33 0.0232 483 CD2 82.8578 70.3200 87.4733 C.3 33 LEU33 -0.0626 484 HD21 82.7070 69.2553 87.3063 H 33 LEU33 0.0232 485 HD22 82.1966 70.8441 86.7847 H 33 LEU33 0.0232 486 HD23 82.5311 70.5374 88.4903 H 33 LEU33 0.0232 487 N 84.2150 75.6200 86.8050 N.am 34 GLN34 -0.2456 488 H 84.5610 75.5380 85.8490 H 34 GLN34 0.1312 489 CA 84.2120 76.9360 87.4240 C.3 34 GLN34 0.0882 490 HA 84.2502 76.8036 88.5075 H 34 GLN34 0.0557 491 C 82.9440 77.7080 87.1020 C.2 34 GLN34 0.2188 492 O 82.9470 78.9070 86.8150 O.2 34 GLN34 -0.2778 493 CB 85.4716 77.6841 86.9709 C.3 34 GLN34 -0.0210 494 HB1 85.4581 78.7002 87.3674 H 34 GLN34 0.0289 495 HB2 85.4722 77.7692 85.8824 H 34 GLN34 0.0289 496 CG 86.7605 76.9859 87.4379 C.3 34 GLN34 0.0225 497 HG1 86.8153 75.9697 87.0547 H 34 GLN34 0.0356 498 HG2 86.7964 76.9217 88.5255 H 34 GLN34 0.0356 499 CD 87.9933 77.7552 86.9561 C.2 34 GLN34 0.1981 500 OE1 87.9019 78.8807 86.4816 O.2 34 GLN34 -0.2798 501 NE2 89.1403 77.0790 87.1080 N.am 34 GLN34 -0.2724 502 HE21 90.0065 77.4888 86.8248 H 34 GLN34 0.1266 503 HE22 89.1572 76.1627 87.5103 H 34 GLN34 0.1266 504 N 81.8030 77.0030 87.1680 N.am 35 THR35 -0.2434 505 H 81.8900 76.0070 87.3720 H 35 THR35 0.1313 506 CA 80.4580 77.5140 86.9790 C.3 35 THR35 0.1135 507 HA 80.4417 78.0470 86.0284 H 35 THR35 0.0583 508 C 80.0250 78.4550 88.0920 C.2 35 THR35 0.2212 509 O 80.6980 78.6480 89.1030 O.2 35 THR35 -0.2777 510 CB 79.5134 76.2925 86.9355 C.3 35 THR35 0.0763 511 HB 78.4882 76.6375 86.7618 H 35 THR35 0.0611 512 OG1 79.5755 75.6687 88.2074 O.3 35 THR35 -0.3900 513 HG1 79.1450 74.8173 88.1942 H 35 THR35 0.2098 514 CG2 79.8992 75.3111 85.8109 C.3 35 THR35 -0.0370 515 HG21 79.1540 74.5239 85.6903 H 35 THR35 0.0255 516 HG22 80.8570 74.8262 86.0044 H 35 THR35 0.0255 517 HG23 79.9764 75.8258 84.8533 H 35 THR35 0.0255 518 N 78.8630 79.1010 87.9260 N.am 36 MET36 -0.2456 519 H 78.3470 78.9590 87.0580 H 36 MET36 0.1312 520 CA 78.3070 79.9910 88.9230 C.3 36 MET36 0.0886 521 HA 79.1313 80.5933 89.3057 H 36 MET36 0.0557 522 C 77.7090 79.2820 90.1230 C.2 36 MET36 0.2188 523 O 77.6410 79.8560 91.2030 O.2 36 MET36 -0.2778 524 CB 77.2613 80.9467 88.3110 C.3 36 MET36 -0.0199 525 HB1 77.7427 81.6140 87.5963 H 36 MET36 0.0293 526 HB2 76.8806 81.6007 89.0978 H 36 MET36 0.0293 527 CG 76.0675 80.2582 87.6290 C.3 36 MET36 -0.0047 528 HG1 75.1928 80.9104 87.6370 H 36 MET36 0.0377 529 HG2 75.7583 79.3660 88.1738 H 36 MET36 0.0377 530 SD 76.4528 79.8093 85.9243 S.3 36 MET36 -0.1641 531 CE 75.5832 81.1571 85.0984 C.3 36 MET36 -0.0181 532 HE1 75.7520 81.1238 84.0223 H 36 MET36 0.0340 533 HE2 75.9282 82.1177 85.4817 H 36 MET36 0.0340 534 HE3 74.5132 81.0933 85.2978 H 36 MET36 0.0340 535 N 77.3390 77.9940 89.9900 N.am 37 THR37 -0.2434 536 H 77.4060 77.5460 89.0760 H 37 THR37 0.1313 537 CA 76.8430 77.2240 91.1320 C.3 37 THR37 0.1135 538 HA 76.3183 77.9141 91.7931 H 37 THR37 0.0583 539 C 77.9630 76.5710 91.9350 C.2 37 THR37 0.2212 540 O 77.8780 76.3290 93.1400 O.2 37 THR37 -0.2777 541 CB 75.8196 76.1954 90.6217 C.3 37 THR37 0.0763 542 HB 75.0088 76.7269 90.1020 H 37 THR37 0.0611 543 OG1 75.3129 75.4549 91.7133 O.3 37 THR37 -0.3900 544 HG1 74.6907 75.9957 92.2110 H 37 THR37 0.2098 545 CG2 76.3937 75.1884 89.6218 C.3 37 THR37 -0.0370 546 HG21 75.6212 74.4888 89.3037 H 37 THR37 0.0255 547 HG22 77.1962 74.6055 90.0678 H 37 THR37 0.0255 548 HG23 76.7715 75.6843 88.7292 H 37 THR37 0.0255 549 N 79.1170 76.3160 91.2890 N.am 38 ASN38 -0.2451 550 H 79.2080 76.6080 90.3160 H 38 ASN38 0.1312 551 CA 80.2340 75.6430 91.9220 C.3 38 ASN38 0.0957 552 HA 79.8078 74.8563 92.5461 H 38 ASN38 0.0562 553 C 81.0250 76.5310 92.8760 C.2 38 ASN38 0.2191 554 O 81.7820 76.0300 93.7000 O.2 38 ASN38 -0.2778 555 CB 81.1628 74.9943 90.8776 C.3 38 ASN38 0.0446 556 HB1 82.1187 74.7205 91.3262 H 38 ASN38 0.0375 557 HB2 81.3765 75.6843 90.0617 H 38 ASN38 0.0375 558 CG 80.5465 73.7042 90.3074 C.2 38 ASN38 0.2000 559 OD1 79.3447 73.4843 90.3486 O.2 38 ASN38 -0.2797 560 ND2 81.4420 72.8581 89.7809 N.am 38 ASN38 -0.2723 561 HD21 81.1333 71.9832 89.4094 H 38 ASN38 0.1266 562 HD22 82.4157 73.0820 89.7511 H 38 ASN38 0.1266 563 N 80.8500 77.8690 92.8610 N.am 39 VAL39 -0.2454 564 H 80.3430 78.2960 92.0860 H 39 VAL39 0.1312 565 CA 81.3710 78.7220 93.9320 C.3 39 VAL39 0.0901 566 HA 82.4232 78.4499 94.0340 H 39 VAL39 0.0560 567 C 80.7150 78.4270 95.2850 C.2 39 VAL39 0.2189 568 O 81.3690 78.4140 96.3290 O.2 39 VAL39 -0.2778 569 CB 81.3007 80.2189 93.5577 C.3 39 VAL39 -0.0227 570 HB 81.9120 80.7572 94.2836 H 39 VAL39 0.0315 571 CG1 81.9068 80.4852 92.1706 C.3 39 VAL39 -0.0608 572 HG11 81.9715 81.5555 91.9741 H 39 VAL39 0.0233 573 HG12 81.3012 80.0441 91.3780 H 39 VAL39 0.0233 574 HG13 82.9125 80.0712 92.0951 H 39 VAL39 0.0233 575 CG2 79.8902 80.8153 93.6471 C.3 39 VAL39 -0.0608 576 HG21 79.9052 81.8609 93.3433 H 39 VAL39 0.0233 577 HG22 79.4943 80.7869 94.6624 H 39 VAL39 0.0233 578 HG23 79.1934 80.2811 93.0045 H 39 VAL39 0.0233 579 N 79.4010 78.1230 95.2980 N.am 40 PHE40 -0.2453 580 H 78.8750 78.2330 94.4310 H 40 PHE40 0.1312 581 CA 78.6900 77.6490 96.4700 C.3 40 PHE40 0.0917 582 HA 78.9332 78.3411 97.2778 H 40 PHE40 0.0560 583 C 79.1510 76.2640 96.9170 C.2 40 PHE40 0.2190 584 O 79.3410 76.0110 98.1060 O.2 40 PHE40 -0.2778 585 CB 77.1798 77.6925 96.2180 C.3 40 PHE40 -0.0036 586 HB1 76.6559 77.3443 97.1036 H 40 PHE40 0.0333 587 HB2 76.9100 77.0323 95.3959 H 40 PHE40 0.0333 588 CG 76.6804 79.0791 95.9170 C.ar 40 PHE40 -0.0454 589 CD1 76.4942 79.9991 96.9436 C.ar 40 PHE40 -0.0585 590 HD1 76.7291 79.7255 97.9624 H 40 PHE40 0.0620 591 CD2 76.3553 79.4450 94.6153 C.ar 40 PHE40 -0.0585 592 HD2 76.4781 78.7348 93.8127 H 40 PHE40 0.0620 593 CE1 75.9975 81.2672 96.6718 C.ar 40 PHE40 -0.0615 594 HE1 75.8573 81.9737 97.4769 H 40 PHE40 0.0618 595 CE2 75.8495 80.7078 94.3406 C.ar 40 PHE40 -0.0615 596 HE2 75.5886 80.9725 93.3261 H 40 PHE40 0.0618 597 CZ 75.6704 81.6206 95.3703 C.ar 40 PHE40 -0.0617 598 HZ 75.2672 82.5997 95.1609 H 40 PHE40 0.0618 599 N 79.4010 75.3360 95.9710 N.am 41 VAL41 -0.2454 600 H 79.1460 75.5470 95.0060 H 41 VAL41 0.1312 601 CA 80.0180 74.0440 96.2590 C.3 41 VAL41 0.0901 602 HA 79.3954 73.5824 97.0275 H 41 VAL41 0.0560 603 C 81.4360 74.1530 96.8340 C.2 41 VAL41 0.2190 604 O 81.7840 73.4730 97.7960 O.2 41 VAL41 -0.2778 605 CB 80.0050 73.1512 94.9961 C.3 41 VAL41 -0.0227 606 HB 80.6465 73.6137 94.2450 H 41 VAL41 0.0315 607 CG1 80.5639 71.7447 95.2759 C.3 41 VAL41 -0.0608 608 HG11 80.5192 71.1202 94.3838 H 41 VAL41 0.0233 609 HG12 79.9945 71.2436 96.0594 H 41 VAL41 0.0233 610 HG13 81.6064 71.7779 95.5922 H 41 VAL41 0.0233 611 CG2 78.5946 73.0282 94.3956 C.3 41 VAL41 -0.0608 612 HG21 78.6019 72.3844 93.5156 H 41 VAL41 0.0233 613 HG22 78.1980 73.9921 94.0803 H 41 VAL41 0.0233 614 HG23 77.8973 72.6003 95.1166 H 41 VAL41 0.0233 615 N 82.2930 75.0550 96.3160 N.am 42 THR42 -0.2434 616 H 82.0250 75.5350 95.4570 H 42 THR42 0.1313 617 CA 83.5900 75.3850 96.9180 C.3 42 THR42 0.1135 618 HA 84.1304 74.4405 96.9962 H 42 THR42 0.0583 619 C 83.4670 75.9610 98.3170 C.2 42 THR42 0.2213 620 O 84.2190 75.6060 99.2200 O.2 42 THR42 -0.2777 621 CB 84.3895 76.3484 96.0185 C.3 42 THR42 0.0763 622 HB 83.8283 77.2874 95.9486 H 42 THR42 0.0611 623 OG1 84.4902 75.7721 94.7281 O.3 42 THR42 -0.3900 624 HG1 85.0030 76.3288 94.1529 H 42 THR42 0.2098 625 CG2 85.8060 76.6183 96.5703 C.3 42 THR42 -0.0370 626 HG21 86.3643 77.3183 95.9485 H 42 THR42 0.0255 627 HG22 86.3807 75.6932 96.6292 H 42 THR42 0.0255 628 HG23 85.7744 77.0510 97.5698 H 42 THR42 0.0255 629 N 82.4810 76.8460 98.5640 N.am 43 SER43 -0.2435 630 H 81.9350 77.1940 97.7760 H 43 SER43 0.1312 631 CA 82.1520 77.3340 99.9060 C.3 43 SER43 0.1109 632 HA 83.0402 77.8230 100.3063 H 43 SER43 0.0580 633 C 81.7310 76.2210 100.8640 C.2 43 SER43 0.2209 634 O 82.1670 76.1680 102.0130 O.2 43 SER43 -0.2777 635 CB 80.9934 78.3373 99.7651 C.3 43 SER43 0.0681 636 HB1 80.1174 77.8251 99.3551 H 43 SER43 0.0577 637 HB2 81.2717 79.1131 99.0475 H 43 SER43 0.0577 638 OG 80.6899 78.9521 101.0097 O.3 43 SER43 -0.3930 639 HG 79.8188 79.3440 101.0105 H 43 SER43 0.2095 640 N 80.9040 75.2670 100.3910 N.am 44 LEU44 -0.2456 641 H 80.5240 75.3830 99.4520 H 44 LEU44 0.1312 642 CA 80.5220 74.0810 101.1430 C.3 44 LEU44 0.0880 643 HA 80.1085 74.4211 102.0905 H 44 LEU44 0.0557 644 C 81.6970 73.1940 101.4840 C.2 44 LEU44 0.2187 645 O 81.9270 72.8460 102.6400 O.2 44 LEU44 -0.2778 646 CB 79.4591 73.3122 100.3356 C.3 44 LEU44 -0.0266 647 HB1 79.8776 73.0282 99.3707 H 44 LEU44 0.0287 648 HB2 78.6343 73.9861 100.1055 H 44 LEU44 0.0287 649 CG 78.9040 72.0497 101.0244 C.3 44 LEU44 -0.0449 650 HG 79.7231 71.3450 101.1782 H 44 LEU44 0.0296 651 CD1 78.3048 72.3582 102.4035 C.3 44 LEU44 -0.0626 652 HD11 77.8431 71.4719 102.8379 H 44 LEU44 0.0232 653 HD12 77.5468 73.1354 102.3460 H 44 LEU44 0.0232 654 HD13 79.0715 72.6893 103.1042 H 44 LEU44 0.0232 655 CD2 77.8744 71.3567 100.1223 C.3 44 LEU44 -0.0626 656 HD21 77.5151 70.4342 100.5784 H 44 LEU44 0.0232 657 HD22 78.3087 71.0994 99.1562 H 44 LEU44 0.0232 658 HD23 77.0142 72.0008 99.9427 H 44 LEU44 0.0232 659 N 82.5330 72.8940 100.4750 N.am 45 ALA45 -0.2459 660 H 82.3070 73.2360 99.5410 H 45 ALA45 0.1312 661 CA 83.7310 72.1150 100.6460 C.3 45 ALA45 0.0850 662 HA 83.4029 71.1901 101.1163 H 45 ALA45 0.0554 663 C 84.7450 72.7560 101.5760 C.2 45 ALA45 0.2184 664 O 85.3720 72.0890 102.3920 O.2 45 ALA45 -0.2778 665 CB 84.3326 71.8088 99.2729 C.3 45 ALA45 -0.0411 666 HB1 85.1658 71.1116 99.3605 H 45 ALA45 0.0249 667 HB2 84.6834 72.7159 98.7800 H 45 ALA45 0.0249 668 HB3 83.5885 71.3470 98.6241 H 45 ALA45 0.0249 669 N 84.9120 74.0880 101.5200 N.am 46 ALA46 -0.2459 670 H 84.4610 74.6080 100.7670 H 46 ALA46 0.1312 671 CA 85.7070 74.8120 102.4860 C.3 46 ALA46 0.0850 672 HA 86.7056 74.3739 102.4607 H 46 ALA46 0.0554 673 C 85.1950 74.7280 103.9200 C.2 46 ALA46 0.2184 674 O 85.9690 74.4850 104.8430 O.2 46 ALA46 -0.2778 675 CB 85.7712 76.2780 102.0422 C.3 46 ALA46 -0.0411 676 HB1 86.4034 76.8687 102.7058 H 46 ALA46 0.0249 677 HB2 84.7793 76.7320 102.0292 H 46 ALA46 0.0249 678 HB3 86.1811 76.3577 101.0353 H 46 ALA46 0.0249 679 N 83.8780 74.8790 104.1610 N.am 47 ALA47 -0.2459 680 H 83.2530 75.1040 103.3870 H 47 ALA47 0.1312 681 CA 83.3260 74.7290 105.4950 C.3 47 ALA47 0.0850 682 HA 83.8651 75.4200 106.1423 H 47 ALA47 0.0554 683 C 83.4870 73.3360 106.0710 C.2 47 ALA47 0.2184 684 O 84.0090 73.1450 107.1710 O.2 47 ALA47 -0.2778 685 CB 81.8385 75.1106 105.4535 C.3 47 ALA47 -0.0411 686 HB1 81.3951 75.0855 106.4493 H 47 ALA47 0.0249 687 HB2 81.2689 74.4331 104.8147 H 47 ALA47 0.0249 688 HB3 81.7008 76.1173 105.0606 H 47 ALA47 0.0249 689 N 83.1100 72.3280 105.2750 N.am 48 ASP48 -0.2451 690 H 82.7290 72.5650 104.3590 H 48 ASP48 0.1312 691 CA 83.2030 70.9360 105.6190 C.3 48 ASP48 0.0974 692 HA 82.7398 70.8353 106.6020 H 48 ASP48 0.0563 693 C 84.6690 70.4740 105.7730 C.2 48 ASP48 0.2192 694 O 84.9920 69.7070 106.6820 O.2 48 ASP48 -0.2778 695 CB 82.4294 70.0702 104.6107 C.3 48 ASP48 0.0576 696 HB1 82.6146 69.0168 104.8037 H 48 ASP48 0.0394 697 HB2 82.7526 70.2872 103.5931 H 48 ASP48 0.0394 698 CG 80.9028 70.2392 104.6928 C.2 48 ASP48 0.1780 699 OD1 80.3754 70.4981 105.7733 O.co2 48 ASP48 -0.6478 700 OD2 80.2466 70.0970 103.6676 O.co2 48 ASP48 -0.6478 701 N 85.6330 70.9790 104.9590 N.am 49 LEU49 -0.2456 702 H 85.3460 71.5280 104.1490 H 49 LEU49 0.1312 703 CA 87.0640 70.7730 105.1900 C.3 49 LEU49 0.0880 704 HA 87.2102 69.6921 105.1880 H 49 LEU49 0.0557 705 C 87.5650 71.3090 106.5230 C.2 49 LEU49 0.2187 706 O 88.2380 70.5970 107.2670 O.2 49 LEU49 -0.2778 707 CB 87.8482 71.4138 104.0348 C.3 49 LEU49 -0.0266 708 HB1 87.5829 72.4697 103.9625 H 49 LEU49 0.0287 709 HB2 87.5261 70.9639 103.0987 H 49 LEU49 0.0287 710 CG 89.3779 71.2791 104.1390 C.3 49 LEU49 -0.0449 711 HG 89.7205 71.8356 105.0122 H 49 LEU49 0.0296 712 CD1 89.8135 69.8164 104.3088 C.3 49 LEU49 -0.0626 713 HD11 90.8980 69.7174 104.2576 H 49 LEU49 0.0232 714 HD12 89.3774 69.1872 103.5329 H 49 LEU49 0.0232 715 HD13 89.5004 69.4157 105.2723 H 49 LEU49 0.0232 716 CD2 90.0420 71.9111 102.9127 C.3 49 LEU49 -0.0626 717 HD21 91.1248 71.9322 103.0259 H 49 LEU49 0.0232 718 HD22 89.7062 72.9382 102.7671 H 49 LEU49 0.0232 719 HD23 89.8036 71.3502 102.0096 H 49 LEU49 0.0232 720 N 87.2160 72.5570 106.9030 N.am 50 VAL50 -0.2454 721 H 86.6580 73.1280 106.2680 H 50 VAL50 0.1312 722 CA 87.6100 73.1170 108.1930 C.3 50 VAL50 0.0901 723 HA 88.6937 73.0081 108.2602 H 50 VAL50 0.0560 724 C 87.0090 72.3250 109.3490 C.2 50 VAL50 0.2189 725 O 87.6790 72.0010 110.3320 O.2 50 VAL50 -0.2778 726 CB 87.2426 74.6152 108.2475 C.3 50 VAL50 -0.0227 727 HB 86.1748 74.7109 108.0407 H 50 VAL50 0.0315 728 CG1 87.5218 75.2365 109.6257 C.3 50 VAL50 -0.0608 729 HG11 87.2754 76.2982 109.6346 H 50 VAL50 0.0233 730 HG12 88.5762 75.1404 109.8852 H 50 VAL50 0.0233 731 HG13 86.9372 74.7602 110.4126 H 50 VAL50 0.0233 732 CG2 88.0095 75.4116 107.1797 C.3 50 VAL50 -0.0608 733 HG21 87.6753 76.4489 107.1528 H 50 VAL50 0.0233 734 HG22 87.8777 75.0003 106.1812 H 50 VAL50 0.0233 735 HG23 89.0796 75.4124 107.3881 H 50 VAL50 0.0233 736 N 85.7300 71.9160 109.2320 N.am 51 MET51 -0.2456 737 H 85.1830 72.2340 108.4320 H 51 MET51 0.1312 738 CA 85.1040 71.0400 110.2020 C.3 51 MET51 0.0885 739 HA 85.1835 71.5586 111.1553 H 51 MET51 0.0557 740 C 85.7940 69.6920 110.3480 C.2 51 MET51 0.2185 741 O 86.1390 69.2690 111.4500 O.2 51 MET51 -0.2778 742 CB 83.6244 70.8365 109.8485 C.3 51 MET51 -0.0199 743 HB1 83.2066 70.0510 110.4778 H 51 MET51 0.0293 744 HB2 83.5294 70.4917 108.8179 H 51 MET51 0.0293 745 CG 82.8057 72.1156 110.0451 C.3 51 MET51 -0.0047 746 HG1 83.2393 72.9266 109.4702 H 51 MET51 0.0377 747 HG2 82.8295 72.4091 111.0949 H 51 MET51 0.0377 748 SD 81.0913 71.9182 109.5376 S.3 51 MET51 -0.1641 749 CE 80.6044 70.6298 110.6931 C.3 51 MET51 -0.0181 750 HE1 79.5211 70.5429 110.7210 H 51 MET51 0.0340 751 HE2 80.9580 70.8761 111.6939 H 51 MET51 0.0340 752 HE3 81.0301 69.6696 110.4047 H 51 MET51 0.0340 753 N 86.0820 68.9920 109.2340 N.am 52 GLY52 -0.2485 754 H 85.8570 69.3890 108.3210 H 52 GLY52 0.1309 755 CA 86.7090 67.6780 109.3080 C.3 52 GLY52 0.0765 756 HA1 86.6950 67.2661 108.3014 H 52 GLY52 0.0521 757 HA2 86.1085 67.0405 109.9565 H 52 GLY52 0.0521 758 C 88.1290 67.7090 109.7810 C.2 52 GLY52 0.2155 759 O 88.6250 66.7350 110.3340 O.2 52 GLY52 -0.2781 760 N 88.8170 68.8420 109.5790 N.am 53 LEU53 -0.2459 761 H 88.3480 69.6260 109.1260 H 53 LEU53 0.1312 762 CA 90.1960 68.9950 109.9770 C.3 53 LEU53 0.0880 763 HA 90.7006 68.0463 109.7884 H 53 LEU53 0.0557 764 C 90.3810 69.3510 111.4380 C.2 53 LEU53 0.2187 765 O 91.2460 68.7990 112.1140 O.2 53 LEU53 -0.2778 766 CB 90.7848 70.0966 109.0769 C.3 53 LEU53 -0.0266 767 HB1 90.2140 71.0155 109.2242 H 53 LEU53 0.0287 768 HB2 90.6275 69.8183 108.0338 H 53 LEU53 0.0287 769 CG 92.2805 70.3923 109.2893 C.3 53 LEU53 -0.0449 770 HG 92.4416 70.6693 110.3319 H 53 LEU53 0.0296 771 CD1 93.1510 69.1665 108.9813 C.3 53 LEU53 -0.0626 772 HD11 94.2096 69.4018 109.0925 H 53 LEU53 0.0232 773 HD12 92.9919 68.8163 107.9610 H 53 LEU53 0.0232 774 HD13 92.9310 68.3409 109.6579 H 53 LEU53 0.0232 775 CD2 92.7106 71.5901 108.4337 C.3 53 LEU53 -0.0626 776 HD21 93.7613 71.8317 108.5960 H 53 LEU53 0.0232 777 HD22 92.1258 72.4769 108.6802 H 53 LEU53 0.0232 778 HD23 92.5743 71.3846 107.3715 H 53 LEU53 0.0232 779 N 89.5690 70.2800 111.9820 N.am 54 LEU54 -0.2456 780 H 88.7490 70.6020 111.4680 H 54 LEU54 0.1312 781 CA 89.8600 70.8240 113.2990 C.3 54 LEU54 0.0880 782 HA 90.4393 70.0846 113.8545 H 54 LEU54 0.0557 783 C 88.6310 71.0140 114.1690 C.2 54 LEU54 0.2187 784 O 88.7110 71.5860 115.2530 O.2 54 LEU54 -0.2778 785 CB 90.7299 72.0907 113.1630 C.3 54 LEU54 -0.0266 786 HB1 91.7074 71.7698 112.8004 H 54 LEU54 0.0287 787 HB2 90.9156 72.5242 114.1467 H 54 LEU54 0.0287 788 CG 90.2074 73.1794 112.2038 C.3 54 LEU54 -0.0449 789 HG 90.0086 72.7319 111.2295 H 54 LEU54 0.0296 790 CD1 88.9119 73.8216 112.7081 C.3 54 LEU54 -0.0626 791 HD11 88.6357 74.6787 112.0986 H 54 LEU54 0.0232 792 HD12 89.0083 74.1624 113.7388 H 54 LEU54 0.0232 793 HD13 88.0872 73.1180 112.6564 H 54 LEU54 0.0232 794 CD2 91.2776 74.2556 111.9838 C.3 54 LEU54 -0.0626 795 HD21 90.9325 75.0131 111.2795 H 54 LEU54 0.0232 796 HD22 92.1923 73.8219 111.5786 H 54 LEU54 0.0232 797 HD23 91.5294 74.7577 112.9183 H 54 LEU54 0.0232 798 N 87.4690 70.4540 113.7680 N.am 55 VAL55 -0.2454 799 H 87.4080 70.0610 112.8280 H 55 VAL55 0.1312 800 CA 86.2980 70.3930 114.6370 C.3 55 VAL55 0.0901 801 HA 86.5072 70.9205 115.5687 H 55 VAL55 0.0560 802 C 86.0020 68.9550 115.0150 C.2 55 VAL55 0.2189 803 O 85.7790 68.6470 116.1880 O.2 55 VAL55 -0.2778 804 CB 85.0456 71.0246 113.9825 C.3 55 VAL55 -0.0227 805 HB 84.8924 70.5611 113.0128 H 55 VAL55 0.0315 806 CG1 83.7598 70.7523 114.7831 C.3 55 VAL55 -0.0608 807 HG11 82.9191 71.3335 114.4020 H 55 VAL55 0.0233 808 HG12 83.8900 70.9907 115.8383 H 55 VAL55 0.0233 809 HG13 83.4755 69.7026 114.7206 H 55 VAL55 0.0233 810 CG2 85.2126 72.5329 113.7649 C.3 55 VAL55 -0.0608 811 HG21 84.3359 72.9553 113.2742 H 55 VAL55 0.0233 812 HG22 86.0665 72.7518 113.1298 H 55 VAL55 0.0233 813 HG23 85.3487 73.0520 114.7135 H 55 VAL55 0.0233 814 N 86.0600 68.0110 114.0510 N.am 56 VAL56 -0.2454 815 H 86.2190 68.3070 113.0880 H 56 VAL56 0.1312 816 CA 85.9050 66.5870 114.3260 C.3 56 VAL56 0.0903 817 HA 84.9383 66.4936 114.8247 H 56 VAL56 0.0560 818 C 86.9360 66.0270 115.3040 C.2 56 VAL56 0.2216 819 O 86.4960 65.3550 116.2360 O.2 56 VAL56 -0.2776 820 CB 85.8572 65.7729 113.0093 C.3 56 VAL56 -0.0227 821 HB 86.7245 66.0063 112.3948 H 56 VAL56 0.0315 822 CG1 85.8418 64.2501 113.2468 C.3 56 VAL56 -0.0608 823 HG11 85.7598 63.7077 112.3042 H 56 VAL56 0.0233 824 HG12 84.9978 63.9578 113.8726 H 56 VAL56 0.0233 825 HG13 86.7519 63.9041 113.7365 H 56 VAL56 0.0233 826 CG2 84.6188 66.1569 112.2052 C.3 56 VAL56 -0.0608 827 HG21 84.5598 65.6065 111.2657 H 56 VAL56 0.0233 828 HG22 84.5826 67.2216 111.9746 H 56 VAL56 0.0233 829 HG23 83.7492 65.9046 112.8043 H 56 VAL56 0.0233 830 N 88.2540 66.2540 115.2460 N.am 57 PRO57 -0.2316 831 CA 89.1640 65.6730 116.2310 C.3 57 PRO57 0.0909 832 HA 89.0042 64.5937 116.2074 H 57 PRO57 0.0560 833 C 88.9630 66.1800 117.6580 C.2 57 PRO57 0.2216 834 O 88.9970 65.3060 118.5230 O.2 57 PRO57 -0.2776 835 CB 90.5617 66.0218 115.6935 C.3 57 PRO57 -0.0275 836 HB1 91.2421 65.1723 115.7540 H 57 PRO57 0.0285 837 HB2 91.0227 66.8320 116.2600 H 57 PRO57 0.0285 838 CG 90.3519 66.4803 114.2498 C.3 57 PRO57 -0.0379 839 HG1 90.4596 65.6252 113.5810 H 57 PRO57 0.0278 840 HG2 91.0833 67.2275 113.9477 H 57 PRO57 0.0278 841 CD 88.9137 66.9937 114.1727 C.3 57 PRO57 0.0071 842 HD1 88.8230 68.0593 114.3735 H 57 PRO57 0.0431 843 HD2 88.4671 66.7695 113.2072 H 57 PRO57 0.0431 844 N 88.7380 67.4470 118.0240 N.am 58 PRO58 -0.2316 845 CA 88.6260 67.7980 119.4360 C.3 58 PRO58 0.0907 846 HA 89.4154 67.2924 119.9856 H 58 PRO58 0.0559 847 C 87.2680 67.4600 120.0060 C.2 58 PRO58 0.2189 848 O 87.1770 67.1500 121.1900 O.2 58 PRO58 -0.2778 849 CB 88.8345 69.3233 119.4440 C.3 58 PRO58 -0.0276 850 HB1 89.4935 69.6415 120.2515 H 58 PRO58 0.0285 851 HB2 87.8879 69.8549 119.5586 H 58 PRO58 0.0285 852 CG 89.4009 69.6733 118.0734 C.3 58 PRO58 -0.0379 853 HG1 90.4882 69.5947 118.0978 H 58 PRO58 0.0278 854 HG2 89.1448 70.6844 117.7553 H 58 PRO58 0.0278 855 CD 88.8355 68.6049 117.1466 C.3 58 PRO58 0.0071 856 HD1 87.8513 68.8730 116.8139 H 58 PRO58 0.0431 857 HD2 89.5066 68.4239 116.3134 H 58 PRO58 0.0431 858 N 86.1820 67.4950 119.2100 N.am 59 ALA59 -0.2459 859 H 86.2550 67.8820 118.2690 H 59 ALA59 0.1312 860 CA 84.9090 66.9840 119.6850 C.3 59 ALA59 0.0850 861 HA 84.6531 67.5211 120.6000 H 59 ALA59 0.0554 862 C 84.9290 65.4990 119.9470 C.2 59 ALA59 0.2184 863 O 84.3920 65.0070 120.9350 O.2 59 ALA59 -0.2778 864 CB 83.8786 67.2401 118.5793 C.3 59 ALA59 -0.0411 865 HB1 82.8633 67.1145 118.9562 H 59 ALA59 0.0249 866 HB2 84.0134 66.5669 117.7308 H 59 ALA59 0.0249 867 HB3 83.9733 68.2422 118.1707 H 59 ALA59 0.0249 868 N 85.5740 64.7540 119.0340 N.am 60 ALA60 -0.2459 869 H 85.9650 65.2270 118.2190 H 60 ALA60 0.1312 870 CA 85.7460 63.3340 119.1350 C.3 60 ALA60 0.0850 871 HA 84.7436 62.9092 119.2068 H 60 ALA60 0.0554 872 C 86.5050 62.9190 120.3650 C.2 60 ALA60 0.2185 873 O 86.0450 62.0680 121.1130 O.2 60 ALA60 -0.2778 874 CB 86.4265 62.8252 117.8627 C.3 60 ALA60 -0.0411 875 HB1 86.5359 61.7452 117.8904 H 60 ALA60 0.0249 876 HB2 87.4150 63.2659 117.7293 H 60 ALA60 0.0249 877 HB3 85.8300 63.0639 116.9825 H 60 ALA60 0.0249 878 N 87.6490 63.5580 120.6640 N.am 61 THR61 -0.2434 879 H 88.0250 64.2520 120.0180 H 61 THR61 0.1313 880 CA 88.3550 63.2670 121.9040 C.3 61 THR61 0.1135 881 HA 88.4903 62.1843 121.9263 H 61 THR61 0.0583 882 C 87.5240 63.6010 123.1300 C.2 61 THR61 0.2212 883 O 87.3660 62.7470 123.9860 O.2 61 THR61 -0.2777 884 CB 89.7455 63.9238 121.9102 C.3 61 THR61 0.0763 885 HB 90.1844 63.7783 122.9040 H 61 THR61 0.0611 886 OG1 89.6198 65.3126 121.6602 O.3 61 THR61 -0.3900 887 HG1 90.4772 65.6974 121.5216 H 61 THR61 0.2098 888 CG2 90.6569 63.2584 120.8613 C.3 61 THR61 -0.0370 889 HG21 91.6847 63.6169 120.9237 H 61 THR61 0.0255 890 HG22 90.2976 63.4453 119.8491 H 61 THR61 0.0255 891 HG23 90.6880 62.1783 121.0050 H 61 THR61 0.0255 892 N 86.8740 64.7780 123.1940 N.am 62 LEU62 -0.2456 893 H 87.0170 65.4410 122.4320 H 62 LEU62 0.1312 894 CA 85.9790 65.1720 124.2780 C.3 62 LEU62 0.0880 895 HA 86.5871 65.1614 125.1832 H 62 LEU62 0.0557 896 C 84.7920 64.2250 124.4990 C.2 62 LEU62 0.2187 897 O 84.3590 63.9760 125.6220 O.2 62 LEU62 -0.2778 898 CB 85.4852 66.6016 123.9824 C.3 62 LEU62 -0.0266 899 HB1 84.9805 66.6047 123.0152 H 62 LEU62 0.0287 900 HB2 86.3525 67.2503 123.8605 H 62 LEU62 0.0287 901 CG 84.5405 67.2072 125.0424 C.3 62 LEU62 -0.0449 902 HG 83.6624 66.5661 125.1287 H 62 LEU62 0.0296 903 CD1 85.1991 67.2871 126.4284 C.3 62 LEU62 -0.0626 904 HD11 84.5199 67.7272 127.1585 H 62 LEU62 0.0232 905 HD12 86.1010 67.8964 126.4062 H 62 LEU62 0.0232 906 HD13 85.4741 66.2992 126.7988 H 62 LEU62 0.0232 907 CD2 84.0355 68.5868 124.5957 C.3 62 LEU62 -0.0626 908 HD21 83.3178 68.9937 125.3085 H 62 LEU62 0.0232 909 HD22 83.5396 68.5266 123.6267 H 62 LEU62 0.0232 910 HD23 84.8527 69.3009 124.5035 H 62 LEU62 0.0232 911 N 84.2160 63.6660 123.4220 N.am 63 ALA63 -0.2459 912 H 84.4980 63.9890 122.4970 H 63 ALA63 0.1312 913 CA 83.2130 62.6270 123.5140 C.3 63 ALA63 0.0850 914 HA 82.4405 62.9950 124.1905 H 63 ALA63 0.0554 915 C 83.7090 61.2880 124.0620 C.2 63 ALA63 0.2184 916 O 83.0320 60.6440 124.8620 O.2 63 ALA63 -0.2778 917 CB 82.6164 62.4350 122.1148 C.3 63 ALA63 -0.0411 918 HB1 81.8176 61.6929 122.1163 H 63 ALA63 0.0249 919 HB2 83.3788 62.1131 121.4046 H 63 ALA63 0.0249 920 HB3 82.1982 63.3705 121.7424 H 63 ALA63 0.0249 921 N 84.8960 60.8200 123.6260 N.am 64 LEU64 -0.2457 922 H 85.4200 61.3750 122.9500 H 64 LEU64 0.1312 923 CA 85.4630 59.5570 124.0780 C.3 64 LEU64 0.0880 924 HA 84.6367 58.8567 124.1945 H 64 LEU64 0.0557 925 C 86.1250 59.6480 125.4430 C.2 64 LEU64 0.2187 926 O 85.9820 58.7740 126.2960 O.2 64 LEU64 -0.2778 927 CB 86.4382 59.0338 123.0103 C.3 64 LEU64 -0.0266 928 HB1 86.8906 58.1011 123.3500 H 64 LEU64 0.0287 929 HB2 87.2559 59.7486 122.9001 H 64 LEU64 0.0287 930 CG 85.7849 58.8029 121.6317 C.3 64 LEU64 -0.0449 931 HG 85.3430 59.7386 121.2911 H 64 LEU64 0.0296 932 CD1 86.8433 58.4038 120.5967 C.3 64 LEU64 -0.0626 933 HD11 86.3933 58.2520 119.6172 H 64 LEU64 0.0232 934 HD12 87.3449 57.4781 120.8795 H 64 LEU64 0.0232 935 HD13 87.6020 59.1802 120.4932 H 64 LEU64 0.0232 936 CD2 84.6560 57.7631 121.6816 C.3 64 LEU64 -0.0626 937 HD21 84.1898 57.6556 120.7038 H 64 LEU64 0.0232 938 HD22 83.8618 58.0581 122.3657 H 64 LEU64 0.0232 939 HD23 85.0272 56.7862 121.9912 H 64 LEU64 0.0232 940 N 86.8840 60.7270 125.6820 N.am 65 THR65 -0.2434 941 H 87.0330 61.3820 124.9150 H 65 THR65 0.1313 942 CA 87.5070 61.0270 126.9540 C.3 65 THR65 0.1135 943 HA 87.2844 60.2228 127.6563 H 65 THR65 0.0583 944 C 86.8460 62.2810 127.4690 C.2 65 THR65 0.2210 945 O 87.0510 63.3730 126.9550 O.2 65 THR65 -0.2777 946 CB 89.0373 61.1685 126.8127 C.3 65 THR65 0.0763 947 HB 89.4244 61.4869 127.7880 H 65 THR65 0.0611 948 OG1 89.3704 62.1378 125.8312 O.3 65 THR65 -0.3900 949 HG1 90.3093 62.2825 125.7930 H 65 THR65 0.2098 950 CG2 89.6762 59.8214 126.4398 C.3 65 THR65 -0.0370 951 HG21 90.7650 59.8729 126.4486 H 65 THR65 0.0255 952 HG22 89.3651 59.5031 125.4444 H 65 THR65 0.0255 953 HG23 89.3819 59.0431 127.1438 H 65 THR65 0.0255 954 N 86.0110 62.1660 128.5280 N.am 66 GLY66 -0.2484 955 H 86.0330 61.2980 129.0630 H 66 GLY66 0.1309 956 CA 85.0740 63.2150 128.9540 C.3 66 GLY66 0.0765 957 HA1 84.3559 62.7424 129.6228 H 66 GLY66 0.0521 958 HA2 84.5357 63.5595 128.0711 H 66 GLY66 0.0521 959 C 85.6910 64.4000 129.6530 C.2 66 GLY66 0.2155 960 O 85.1730 64.8990 130.6440 O.2 66 GLY66 -0.2781 961 N 86.8350 64.8620 129.1430 N.am 67 HIS67 -0.2455 962 H 87.1580 64.4280 128.2780 H 67 HIS67 0.1312 963 CA 87.6540 65.9030 129.6850 C.3 67 HIS67 0.0932 964 HA 87.0290 66.5882 130.2607 H 67 HIS67 0.0561 965 C 88.2790 66.6150 128.5050 C.2 67 HIS67 0.2190 966 O 88.6400 65.9990 127.5060 O.2 67 HIS67 -0.2778 967 CB 88.7129 65.1925 130.5421 C.3 67 HIS67 0.0146 968 HB1 89.3900 64.6047 129.9209 H 67 HIS67 0.0348 969 HB2 88.2264 64.4893 131.2190 H 67 HIS67 0.0348 970 CG 89.5099 66.1623 131.3774 C.ar 67 HIS67 0.0551 971 ND1 89.2769 66.3745 132.6887 N.ar 67 HIS67 -0.2469 972 CD2 90.6506 66.8899 131.0046 C.ar 67 HIS67 0.0047 973 HD2 91.0930 66.9118 130.0191 H 67 HIS67 0.0764 974 CE1 90.2330 67.2179 133.1008 C.ar 67 HIS67 0.0737 975 HE1 90.2842 67.6022 134.1098 H 67 HIS67 0.0963 976 NE2 91.0844 67.5417 132.1079 N.ar 67 HIS67 -0.2539 977 HE2 91.8481 68.1494 132.1568 H 67 HIS67 0.1339 978 N 88.4100 67.9470 128.5460 N.am 68 TRP68 -0.2453 979 H 88.1690 68.4500 129.4000 H 68 TRP68 0.1312 980 CA 88.8900 68.6850 127.3940 C.3 68 TRP68 0.0920 981 HA 88.3936 68.2626 126.5262 H 68 TRP68 0.0561 982 C 90.4210 68.5920 127.2600 C.2 68 TRP68 0.2217 983 O 91.1130 68.8140 128.2530 O.2 68 TRP68 -0.2776 984 CB 88.3977 70.1276 127.6013 C.3 68 TRP68 -0.0021 985 HB1 88.8045 70.5376 128.5256 H 68 TRP68 0.0334 986 HB2 87.3127 70.1331 127.7001 H 68 TRP68 0.0334 987 CG 88.7653 71.0464 126.4613 C.ar 68 TRP68 -0.0260 988 CD1 89.4925 72.2304 126.5863 C.ar 68 TRP68 -0.0136 989 HD1 89.8944 72.6224 127.5096 H 68 TRP68 0.0748 990 CD2 88.4038 70.9296 125.0705 C.ar 68 TRP68 -0.0028 991 NE1 89.6444 72.7915 125.3654 N.ar 68 TRP68 -0.2641 992 HE1 90.1427 73.6179 125.1887 H 68 TRP68 0.1331 993 CE2 89.0083 72.0192 124.4042 C.ar 68 TRP68 0.0269 994 CE3 87.6690 70.0173 124.3616 C.ar 68 TRP68 -0.0528 995 HE3 87.1978 69.1897 124.8668 H 68 TRP68 0.0624 996 CZ2 88.8967 72.1392 123.0480 C.ar 68 TRP68 -0.0430 997 HZ2 89.3666 72.9676 122.5401 H 68 TRP68 0.0633 998 CZ3 87.5578 70.1328 122.9775 C.ar 68 TRP68 -0.0611 999 HZ3 86.9874 69.4075 122.4151 H 68 TRP68 0.0618 1000 CH2 88.1863 71.1893 122.3211 C.ar 68 TRP68 -0.0602 1001 HH2 88.1086 71.2886 121.2512 H 68 TRP68 0.0618 1002 N 91.0240 68.2590 126.1070 N.am 69 PRO69 -0.2316 1003 CA 92.4680 68.0170 126.0730 C.3 69 PRO69 0.0907 1004 HA 92.7994 67.5810 127.0170 H 69 PRO69 0.0559 1005 C 93.2420 69.2890 125.8090 C.2 69 PRO69 0.2189 1006 O 94.4340 69.3420 126.1010 O.2 69 PRO69 -0.2778 1007 CB 92.6199 67.0195 124.9210 C.3 69 PRO69 -0.0276 1008 HB1 92.6660 66.0119 125.3356 H 69 PRO69 0.0285 1009 HB2 93.5321 67.1597 124.3389 H 69 PRO69 0.0285 1010 CG 91.3581 67.1424 124.0617 C.3 69 PRO69 -0.0379 1011 HG1 90.9420 66.1504 123.8912 H 69 PRO69 0.0278 1012 HG2 91.5770 67.5873 123.0918 H 69 PRO69 0.0278 1013 CD 90.3558 67.9997 124.8370 C.3 69 PRO69 0.0071 1014 HD1 90.1786 68.9550 124.3476 H 69 PRO69 0.0431 1015 HD2 89.4264 67.4519 124.9879 H 69 PRO69 0.0431 1016 N 92.6160 70.3100 125.2080 N.am 70 LEU70 -0.2456 1017 H 91.6580 70.1730 124.8870 H 70 LEU70 0.1312 1018 CA 93.2400 71.5980 124.9950 C.3 70 LEU70 0.0880 1019 HA 94.3111 71.4413 124.8567 H 70 LEU70 0.0557 1020 C 93.0410 72.4670 126.2430 C.2 70 LEU70 0.2185 1021 O 92.3770 72.0950 127.2040 O.2 70 LEU70 -0.2778 1022 CB 92.6619 72.3027 123.7506 C.3 70 LEU70 -0.0266 1023 HB1 93.0747 73.3104 123.7104 H 70 LEU70 0.0287 1024 HB2 91.5918 72.4342 123.8615 H 70 LEU70 0.0287 1025 CG 92.9502 71.6442 122.3865 C.3 70 LEU70 -0.0449 1026 HG 94.0281 71.5059 122.2936 H 70 LEU70 0.0296 1027 CD1 92.2790 70.2732 122.2122 C.3 70 LEU70 -0.0626 1028 HD11 92.3471 69.9318 121.1791 H 70 LEU70 0.0232 1029 HD12 91.2227 70.3069 122.4795 H 70 LEU70 0.0232 1030 HD13 92.7637 69.5126 122.8212 H 70 LEU70 0.0232 1031 CD2 92.5066 72.5854 121.2564 C.3 70 LEU70 -0.0626 1032 HD21 92.7439 72.1663 120.2783 H 70 LEU70 0.0232 1033 HD22 93.0037 73.5531 121.3289 H 70 LEU70 0.0232 1034 HD23 91.4312 72.7627 121.2893 H 70 LEU70 0.0232 1035 N 93.6440 73.6740 126.2930 N.am 71 GLY71 -0.2485 1036 H 94.2980 73.9350 125.5550 H 71 GLY71 0.1309 1037 CA 93.3810 74.6170 127.3820 C.3 71 GLY71 0.0765 1038 HA1 94.2181 75.3142 127.3936 H 71 GLY71 0.0521 1039 HA2 93.3859 74.0694 128.3255 H 71 GLY71 0.0521 1040 C 92.0970 75.4020 127.2560 C.2 71 GLY71 0.2155 1041 O 91.3390 75.2560 126.3030 O.2 71 GLY71 -0.2781 1042 N 91.8460 76.3290 128.2050 N.am 72 ALA72 -0.2462 1043 H 92.5130 76.4280 128.9700 H 72 ALA72 0.1311 1044 CA 90.6740 77.1960 128.1970 C.3 72 ALA72 0.0850 1045 HA 89.8060 76.5359 128.2356 H 72 ALA72 0.0554 1046 C 90.5380 78.0560 126.9390 C.2 72 ALA72 0.2185 1047 O 89.5120 78.0480 126.2660 O.2 72 ALA72 -0.2778 1048 CB 90.7009 78.0810 129.4487 C.3 72 ALA72 -0.0411 1049 HB1 89.8085 78.7053 129.5111 H 72 ALA72 0.0249 1050 HB2 91.5705 78.7392 129.4530 H 72 ALA72 0.0249 1051 HB3 90.7394 77.4725 130.3523 H 72 ALA72 0.0249 1052 N 91.6220 78.7250 126.5090 N.am 73 THR73 -0.2434 1053 H 92.4490 78.7340 127.1060 H 73 THR73 0.1313 1054 CA 91.6850 79.4410 125.2360 C.3 73 THR73 0.1135 1055 HA 90.8566 80.1538 125.2633 H 73 THR73 0.0583 1056 C 91.4740 78.5250 124.0410 C.2 73 THR73 0.2210 1057 O 90.8570 78.8750 123.0380 O.2 73 THR73 -0.2777 1058 CB 93.0142 80.2157 125.1078 C.3 73 THR73 0.0763 1059 HB 93.7618 79.5592 124.6512 H 73 THR73 0.0611 1060 OG1 93.4857 80.5544 126.4054 O.3 73 THR73 -0.3900 1061 HG1 94.1757 81.2070 126.3474 H 73 THR73 0.2098 1062 CG2 92.8270 81.4602 124.2180 C.3 73 THR73 -0.0370 1063 HG21 93.7708 81.9600 124.0000 H 73 THR73 0.0255 1064 HG22 92.1654 82.1844 124.6953 H 73 THR73 0.0255 1065 HG23 92.3753 81.1946 123.2619 H 73 THR73 0.0255 1066 N 91.9710 77.2710 124.1260 N.am 74 GLY74 -0.2484 1067 H 92.5430 77.0240 124.9340 H 74 GLY74 0.1309 1068 CA 91.7210 76.2560 123.1070 C.3 74 GLY74 0.0765 1069 HA1 92.3587 75.4071 123.3426 H 74 GLY74 0.0521 1070 HA2 92.0260 76.6644 122.1427 H 74 GLY74 0.0521 1071 C 90.2910 75.7930 123.0280 C.2 74 GLY74 0.2156 1072 O 89.8000 75.4770 121.9520 O.2 74 GLY74 -0.2781 1073 N 89.5610 75.7730 124.1600 N.am 75 CYS75 -0.2451 1074 H 90.0390 75.9130 125.0500 H 75 CYS75 0.1312 1075 CA 88.1170 75.5600 124.1700 C.3 75 CYS75 0.0965 1076 HA 87.9039 74.6423 123.6247 H 75 CYS75 0.0565 1077 C 87.3970 76.6820 123.4680 C.2 75 CYS75 0.2195 1078 O 86.5300 76.4580 122.6300 O.2 75 CYS75 -0.2778 1079 CB 87.6186 75.4536 125.6233 C.3 75 CYS75 0.0147 1080 HB1 88.1555 76.1562 126.2543 H 75 CYS75 0.0394 1081 HB2 87.8519 74.4700 126.0228 H 75 CYS75 0.0394 1082 SG 85.8473 75.7610 125.8641 S.3 75 CYS75 -0.1762 1083 HG 85.5634 77.0048 125.4641 H 75 CYS75 0.1017 1084 N 87.7780 77.9280 123.7780 N.am 76 GLU76 -0.2456 1085 H 88.5320 78.0470 124.4540 H 76 GLU76 0.1312 1086 CA 87.1810 79.1130 123.2090 C.3 76 GLU76 0.0883 1087 HA 86.1136 79.0949 123.4311 H 76 GLU76 0.0557 1088 C 87.3770 79.2110 121.7000 C.2 76 GLU76 0.2187 1089 O 86.4410 79.4780 120.9480 O.2 76 GLU76 -0.2778 1090 CB 87.8783 80.2809 123.9282 C.3 76 GLU76 -0.0193 1091 HB1 88.9545 80.1476 123.8276 H 76 GLU76 0.0290 1092 HB2 87.6787 80.2096 124.9982 H 76 GLU76 0.0290 1093 CG 87.5217 81.6969 123.4494 C.3 76 GLU76 0.0356 1094 HG1 86.4808 81.9362 123.6658 H 76 GLU76 0.0374 1095 HG2 87.6710 81.8098 122.3768 H 76 GLU76 0.0374 1096 CD 88.4426 82.7037 124.1542 C.2 76 GLU76 0.1760 1097 OE1 89.6496 82.6598 123.9144 O.co2 76 GLU76 -0.6478 1098 OE2 87.9482 83.5128 124.9343 O.co2 76 GLU76 -0.6478 1099 N 88.5960 78.8920 121.2110 N.am 77 LEU77 -0.2456 1100 H 89.3640 78.7700 121.8710 H 77 LEU77 0.1312 1101 CA 88.8720 78.7130 119.7960 C.3 77 LEU77 0.0880 1102 HA 88.5987 79.6520 119.3163 H 77 LEU77 0.0557 1103 C 88.0590 77.6000 119.1560 C.2 77 LEU77 0.2187 1104 O 87.4790 77.7750 118.0870 O.2 77 LEU77 -0.2778 1105 CB 90.3799 78.4516 119.6434 C.3 77 LEU77 -0.0266 1106 HB1 90.6490 77.5782 120.2393 H 77 LEU77 0.0287 1107 HB2 90.9236 79.2878 120.0854 H 77 LEU77 0.0287 1108 CG 90.8608 78.2428 118.1938 C.3 77 LEU77 -0.0449 1109 HG 90.3567 77.3678 117.7817 H 77 LEU77 0.0296 1110 CD1 90.5245 79.4428 117.2976 C.3 77 LEU77 -0.0626 1111 HD11 90.9114 79.2978 116.2889 H 77 LEU77 0.0232 1112 HD12 90.9562 80.3627 117.6926 H 77 LEU77 0.0232 1113 HD13 89.4474 79.5872 117.2114 H 77 LEU77 0.0232 1114 CD2 92.3662 77.9515 118.1670 C.3 77 LEU77 -0.0626 1115 HD21 92.7114 77.7607 117.1507 H 77 LEU77 0.0232 1116 HD22 92.6060 77.0746 118.7689 H 77 LEU77 0.0232 1117 HD23 92.9359 78.7934 118.5615 H 77 LEU77 0.0232 1118 N 87.9700 76.4230 119.8040 N.am 78 TRP78 -0.2453 1119 H 88.4580 76.3050 120.6920 H 78 TRP78 0.1312 1120 CA 87.1970 75.3200 119.2690 C.3 78 TRP78 0.0918 1121 HA 87.5832 75.1388 118.2682 H 78 TRP78 0.0560 1122 C 85.6960 75.6110 119.1630 C.2 78 TRP78 0.2191 1123 O 85.0850 75.3990 118.1190 O.2 78 TRP78 -0.2778 1124 CB 87.4349 74.0515 120.1052 C.3 78 TRP78 -0.0021 1125 HB1 87.2112 74.2467 121.1547 H 78 TRP78 0.0334 1126 HB2 88.4822 73.7540 120.0564 H 78 TRP78 0.0334 1127 CG 86.5649 72.9176 119.5867 C.ar 78 TRP78 -0.0260 1128 CD1 86.5350 72.4234 118.2769 C.ar 78 TRP78 -0.0136 1129 HD1 87.1634 72.7604 117.4644 H 78 TRP78 0.0748 1130 CD2 85.5433 72.2051 120.3138 C.ar 78 TRP78 -0.0028 1131 NE1 85.5517 71.4954 118.1711 N.ar 78 TRP78 -0.2641 1132 HE1 85.3122 71.0137 117.3517 H 78 TRP78 0.1331 1133 CE2 84.9106 71.3397 119.3928 C.ar 78 TRP78 0.0269 1134 CE3 85.1206 72.2472 121.6158 C.ar 78 TRP78 -0.0528 1135 HE3 85.5981 72.9179 122.3145 H 78 TRP78 0.0624 1136 CZ2 83.8600 70.5651 119.8006 C.ar 78 TRP78 -0.0430 1137 HZ2 83.3222 69.9693 119.0832 H 78 TRP78 0.0633 1138 CZ3 84.1062 71.3946 122.0498 C.ar 78 TRP78 -0.0611 1139 HZ3 83.7962 71.3984 123.0838 H 78 TRP78 0.0618 1140 CH2 83.4717 70.5533 121.1385 C.ar 78 TRP78 -0.0602 1141 HH2 82.6669 69.9104 121.4628 H 78 TRP78 0.0618 1142 N 85.1010 76.1930 120.2180 N.am 79 THR79 -0.2434 1143 H 85.6550 76.3150 121.0660 H 79 THR79 0.1313 1144 CA 83.7190 76.6640 120.2390 C.3 79 THR79 0.1135 1145 HA 83.0962 75.8020 119.9942 H 79 THR79 0.0583 1146 C 83.4600 77.7310 119.1930 C.2 79 THR79 0.2213 1147 O 82.4360 77.7480 118.5170 O.2 79 THR79 -0.2777 1148 CB 83.3877 77.1626 121.6602 C.3 79 THR79 0.0763 1149 HB 84.1073 77.9547 121.9069 H 79 THR79 0.0611 1150 OG1 83.5456 76.0665 122.5523 O.3 79 THR79 -0.3900 1151 HG1 83.4979 76.3556 123.4584 H 79 THR79 0.2098 1152 CG2 81.9522 77.7053 121.7877 C.3 79 THR79 -0.0370 1153 HG21 81.7359 78.0415 122.8019 H 79 THR79 0.0255 1154 HG22 81.2242 76.9371 121.5266 H 79 THR79 0.0255 1155 HG23 81.7873 78.5584 121.1296 H 79 THR79 0.0255 1156 N 84.3750 78.7030 118.9980 N.am 80 SER80 -0.2435 1157 H 85.2220 78.7350 119.5650 H 80 SER80 0.1312 1158 CA 84.1390 79.7080 117.9680 C.3 80 SER80 0.1109 1159 HA 83.1255 80.0827 118.1250 H 80 SER80 0.0580 1160 C 84.1950 79.1430 116.5500 C.2 80 SER80 0.2209 1161 O 83.3270 79.4130 115.7170 O.2 80 SER80 -0.2777 1162 CB 85.1045 80.8903 118.1513 C.3 80 SER80 0.0681 1163 HB1 85.0975 81.1800 119.2092 H 80 SER80 0.0577 1164 HB2 84.7283 81.7444 117.5799 H 80 SER80 0.0577 1165 OG 86.4273 80.5824 117.7233 O.3 80 SER80 -0.3930 1166 HG 87.0331 81.2846 117.9470 H 80 SER80 0.2095 1167 N 85.1930 78.2930 116.2450 N.am 81 VAL81 -0.2453 1168 H 85.8910 78.0890 116.9610 H 81 VAL81 0.1312 1169 CA 85.3270 77.6520 114.9490 C.3 81 VAL81 0.0901 1170 HA 85.1921 78.4692 114.2380 H 81 VAL81 0.0560 1171 C 84.2190 76.6560 114.6220 C.2 81 VAL81 0.2189 1172 O 83.7380 76.6300 113.4850 O.2 81 VAL81 -0.2778 1173 CB 86.7496 77.1019 114.7193 C.3 81 VAL81 -0.0227 1174 HB 87.4419 77.8663 115.0755 H 81 VAL81 0.0315 1175 CG1 87.0364 75.8228 115.5064 C.3 81 VAL81 -0.0608 1176 HG11 88.0909 75.5525 115.4575 H 81 VAL81 0.0233 1177 HG12 86.4554 74.9797 115.1356 H 81 VAL81 0.0233 1178 HG13 86.7782 75.9725 116.5459 H 81 VAL81 0.0233 1179 CG2 87.0422 76.8859 113.2273 C.3 81 VAL81 -0.0608 1180 HG21 88.0937 76.6469 113.0717 H 81 VAL81 0.0233 1181 HG22 86.8196 77.7806 112.6457 H 81 VAL81 0.0233 1182 HG23 86.4482 76.0662 112.8224 H 81 VAL81 0.0233 1183 N 83.7330 75.8240 115.5750 N.am 82 ASP82 -0.2451 1184 H 84.1340 75.8340 116.5130 H 82 ASP82 0.1312 1185 CA 82.6420 74.9190 115.2610 C.3 82 ASP82 0.0974 1186 HA 82.9321 74.3883 114.3541 H 82 ASP82 0.0563 1187 C 81.3170 75.5950 114.9290 C.2 82 ASP82 0.2192 1188 O 80.7040 75.3010 113.9060 O.2 82 ASP82 -0.2778 1189 CB 82.6398 73.8957 116.4156 C.3 82 ASP82 0.0576 1190 HB1 83.2054 74.2710 117.2654 H 82 ASP82 0.0394 1191 HB2 83.1585 72.9928 116.1127 H 82 ASP82 0.0394 1192 CG 81.2786 73.5100 116.9656 C.2 82 ASP82 0.1780 1193 OD1 80.8757 74.0673 117.9823 O.co2 82 ASP82 -0.6478 1194 OD2 80.6061 72.6507 116.4001 O.co2 82 ASP82 -0.6478 1195 N 80.9010 76.6000 115.7210 N.am 83 VAL83 -0.2454 1196 H 81.4300 76.7950 116.5710 H 83 VAL83 0.1312 1197 CA 79.7430 77.4190 115.4330 C.3 83 VAL83 0.0901 1198 HA 78.8978 76.7346 115.3527 H 83 VAL83 0.0560 1199 C 79.8790 78.1300 114.0950 C.2 83 VAL83 0.2189 1200 O 78.9480 78.1560 113.2900 O.2 83 VAL83 -0.2778 1201 CB 79.4974 78.4192 116.5826 C.3 83 VAL83 -0.0227 1202 HB 80.4050 79.0120 116.7141 H 83 VAL83 0.0315 1203 CG1 78.3400 79.3892 116.2763 C.3 83 VAL83 -0.0608 1204 HG11 78.1991 80.0962 117.0917 H 83 VAL83 0.0233 1205 HG12 77.4018 78.8529 116.1312 H 83 VAL83 0.0233 1206 HG13 78.5259 79.9822 115.3807 H 83 VAL83 0.0233 1207 CG2 79.2201 77.6845 117.9042 C.3 83 VAL83 -0.0608 1208 HG21 79.1054 78.3919 118.7255 H 83 VAL83 0.0233 1209 HG22 80.0291 77.0043 118.1711 H 83 VAL83 0.0233 1210 HG23 78.3044 77.0965 117.8386 H 83 VAL83 0.0233 1211 N 81.0630 78.6950 113.7860 N.am 84 LEU84 -0.2456 1212 H 81.8270 78.6380 114.4600 H 84 LEU84 0.1312 1213 CA 81.2880 79.3830 112.5240 C.3 84 LEU84 0.0880 1214 HA 80.5243 80.1602 112.4623 H 84 LEU84 0.0557 1215 C 81.1440 78.4910 111.3020 C.2 84 LEU84 0.2187 1216 O 80.4140 78.7900 110.3550 O.2 84 LEU84 -0.2778 1217 CB 82.6883 80.0193 112.5300 C.3 84 LEU84 -0.0266 1218 HB1 83.4692 79.2628 112.4368 H 84 LEU84 0.0287 1219 HB2 82.8367 80.4402 113.5154 H 84 LEU84 0.0287 1220 CG 82.8862 81.1437 111.4903 C.3 84 LEU84 -0.0449 1221 HG 81.9522 81.6980 111.4031 H 84 LEU84 0.0296 1222 CD1 83.9658 82.1310 111.9551 C.3 84 LEU84 -0.0626 1223 HD11 84.1185 82.9226 111.2212 H 84 LEU84 0.0232 1224 HD12 84.9205 81.6280 112.1097 H 84 LEU84 0.0232 1225 HD13 83.6836 82.6108 112.8905 H 84 LEU84 0.0232 1226 CD2 83.2427 80.6125 110.0964 C.3 84 LEU84 -0.0626 1227 HD21 83.4887 81.4360 109.4266 H 84 LEU84 0.0232 1228 HD22 82.4194 80.0724 109.6338 H 84 LEU84 0.0232 1229 HD23 84.1046 79.9464 110.1384 H 84 LEU84 0.0232 1230 N 81.8220 77.3330 111.3090 N.am 85 CYS85 -0.2449 1231 H 82.3270 77.0630 112.1530 H 85 CYS85 0.1312 1232 CA 81.8610 76.4530 110.1600 C.3 85 CYS85 0.0965 1233 HA 81.9489 77.0916 109.2793 H 85 CYS85 0.0565 1234 C 80.6130 75.6180 109.9800 C.2 85 CYS85 0.2195 1235 O 80.1760 75.4030 108.8500 O.2 85 CYS85 -0.2778 1236 CB 83.1232 75.5958 110.2443 C.3 85 CYS85 0.0147 1237 HB1 83.2379 75.0212 109.3260 H 85 CYS85 0.0394 1238 HB2 83.0475 74.8926 111.0748 H 85 CYS85 0.0394 1239 SG 84.6133 76.6015 110.4702 S.3 85 CYS85 -0.1762 1240 HG 85.5465 75.8716 111.0834 H 85 CYS85 0.1017 1241 N 79.9560 75.1690 111.0740 N.am 86 VAL86 -0.2454 1242 H 80.3800 75.2980 111.9930 H 86 VAL86 0.1312 1243 CA 78.6580 74.5050 110.9810 C.3 86 VAL86 0.0901 1244 HA 78.7806 73.6358 110.3320 H 86 VAL86 0.0560 1245 C 77.6090 75.4110 110.3610 C.2 86 VAL86 0.2190 1246 O 76.9250 75.0380 109.4110 O.2 86 VAL86 -0.2778 1247 CB 78.2262 74.0731 112.4038 C.3 86 VAL86 -0.0227 1248 HB 78.3619 74.9269 113.0698 H 86 VAL86 0.0315 1249 CG1 76.7411 73.6730 112.4943 C.3 86 VAL86 -0.0608 1250 HG11 76.5124 73.2090 113.4535 H 86 VAL86 0.0233 1251 HG12 76.4759 72.9723 111.7038 H 86 VAL86 0.0233 1252 HG13 76.0861 74.5391 112.3947 H 86 VAL86 0.0233 1253 CG2 79.1157 72.9354 112.9265 C.3 86 VAL86 -0.0608 1254 HG21 78.8786 72.6911 113.9627 H 86 VAL86 0.0233 1255 HG22 80.1754 73.1833 112.8825 H 86 VAL86 0.0233 1256 HG23 78.9770 72.0395 112.3286 H 86 VAL86 0.0233 1257 N 77.5100 76.6680 110.8310 N.am 87 THR87 -0.2434 1258 H 78.1010 76.9410 111.6160 H 87 THR87 0.1313 1259 CA 76.5980 77.6580 110.2700 C.3 87 THR87 0.1135 1260 HA 75.5993 77.2192 110.2974 H 87 THR87 0.0583 1261 C 76.9280 77.9760 108.8170 C.2 87 THR87 0.2212 1262 O 76.0480 78.0220 107.9680 O.2 87 THR87 -0.2777 1263 CB 76.6262 78.9375 111.1288 C.3 87 THR87 0.0763 1264 HB 77.6672 79.2810 111.1779 H 87 THR87 0.0611 1265 OG1 76.1779 78.5855 112.4290 O.3 87 THR87 -0.3900 1266 HG1 76.3032 79.3070 113.0386 H 87 THR87 0.2098 1267 CG2 75.7371 80.0605 110.5546 C.3 87 THR87 -0.0370 1268 HG21 75.6827 80.9241 111.2176 H 87 THR87 0.0255 1269 HG22 74.7202 79.7097 110.3774 H 87 THR87 0.0255 1270 HG23 76.1203 80.4218 109.6002 H 87 THR87 0.0255 1271 N 78.2170 78.1330 108.4490 N.am 88 ALA88 -0.2458 1272 H 78.9380 78.1030 109.1700 H 88 ALA88 0.1312 1273 CA 78.6230 78.3430 107.0660 C.3 88 ALA88 0.0850 1274 HA 78.1067 79.2439 106.7293 H 88 ALA88 0.0554 1275 C 78.2500 77.2150 106.1110 C.2 88 ALA88 0.2185 1276 O 77.7530 77.4490 105.0090 O.2 88 ALA88 -0.2778 1277 CB 80.1372 78.5801 107.0311 C.3 88 ALA88 -0.0411 1278 HB1 80.4722 78.8250 106.0233 H 88 ALA88 0.0249 1279 HB2 80.6868 77.6988 107.3629 H 88 ALA88 0.0249 1280 HB3 80.4175 79.4090 107.6810 H 88 ALA88 0.0249 1281 N 78.4400 75.9510 106.5350 N.am 89 SER89 -0.2436 1282 H 78.9080 75.8040 107.4290 H 89 SER89 0.1312 1283 CA 78.0090 74.7840 105.7780 C.3 89 SER89 0.1109 1284 HA 78.4747 74.8635 104.7962 H 89 SER89 0.0580 1285 C 76.4940 74.7230 105.5730 C.2 89 SER89 0.2209 1286 O 76.0080 74.5260 104.4610 O.2 89 SER89 -0.2777 1287 CB 78.5205 73.4869 106.4277 C.3 89 SER89 0.0681 1288 HB1 78.1459 73.3970 107.4498 H 89 SER89 0.0577 1289 HB2 79.6160 73.5241 106.4904 H 89 SER89 0.0577 1290 OG 78.0585 72.3651 105.6792 O.3 89 SER89 -0.3930 1291 HG 78.7054 71.6514 105.6579 H 89 SER89 0.2095 1292 N 75.6820 74.9750 106.6200 N.am 90 ILE90 -0.2453 1293 H 76.0960 75.1560 107.5340 H 90 ILE90 0.1312 1294 CA 74.2280 74.9960 106.4850 C.3 90 ILE90 0.0903 1295 HA 73.9568 74.0757 105.9705 H 90 ILE90 0.0560 1296 C 73.7080 76.1490 105.6170 C.2 90 ILE90 0.2189 1297 O 72.8860 75.9550 104.7180 O.2 90 ILE90 -0.2778 1298 CB 73.5683 74.9786 107.8824 C.3 90 ILE90 -0.0201 1299 HB 73.8820 75.8794 108.4136 H 90 ILE90 0.0318 1300 CG1 74.0120 73.7590 108.7236 C.3 90 ILE90 -0.0514 1301 HG11 75.0837 73.5929 108.6272 H 90 ILE90 0.0266 1302 HG12 73.5463 72.8515 108.3420 H 90 ILE90 0.0266 1303 CG2 72.0379 75.0063 107.7377 C.3 90 ILE90 -0.0605 1304 HG21 71.5245 74.7499 108.6606 H 90 ILE90 0.0233 1305 HG22 71.7075 74.3078 106.9725 H 90 ILE90 0.0233 1306 HG23 71.7014 75.9950 107.4332 H 90 ILE90 0.0233 1307 CD1 73.7058 73.9086 110.2204 C.3 90 ILE90 -0.0650 1308 HD11 74.0823 73.0498 110.7763 H 90 ILE90 0.0230 1309 HD12 72.6362 73.9829 110.4128 H 90 ILE90 0.0230 1310 HD13 74.1822 74.8011 110.6277 H 90 ILE90 0.0230 1311 N 74.2210 77.3780 105.8110 N.am 91 GLU91 -0.2456 1312 H 74.9000 77.5040 106.5620 H 91 GLU91 0.1312 1313 CA 73.8600 78.5360 105.0090 C.3 91 GLU91 0.0883 1314 HA 72.7782 78.6534 105.0842 H 91 GLU91 0.0557 1315 C 74.2100 78.3950 103.5340 C.2 91 GLU91 0.2188 1316 O 73.4340 78.7300 102.6410 O.2 91 GLU91 -0.2778 1317 CB 74.5832 79.7500 105.6147 C.3 91 GLU91 -0.0193 1318 HB1 74.5605 80.5993 104.9297 H 91 GLU91 0.0290 1319 HB2 75.6323 79.4856 105.7458 H 91 GLU91 0.0290 1320 CG 74.0214 80.1924 106.9775 C.3 91 GLU91 0.0356 1321 HG1 74.7823 80.7555 107.5176 H 91 GLU91 0.0374 1322 HG2 73.7538 79.3424 107.6033 H 91 GLU91 0.0374 1323 CD 72.7880 81.0931 106.8219 C.2 91 GLU91 0.1760 1324 OE1 71.8658 80.7186 106.0992 O.co2 91 GLU91 -0.6478 1325 OE2 72.7685 82.1636 107.4261 O.co2 91 GLU91 -0.6478 1326 N 75.3990 77.8540 103.2060 N.am 92 THR92 -0.2434 1327 H 76.0720 77.6350 103.9410 H 92 THR92 0.1313 1328 CA 75.7390 77.5760 101.8110 C.3 92 THR92 0.1135 1329 HA 75.4626 78.4823 101.2714 H 92 THR92 0.0583 1330 C 74.9200 76.4440 101.1870 C.2 92 THR92 0.2212 1331 O 74.6020 76.4770 100.0000 O.2 92 THR92 -0.2777 1332 CB 77.2543 77.4133 101.6086 C.3 92 THR92 0.0763 1333 HB 77.7380 78.2139 102.1690 H 92 THR92 0.0611 1334 OG1 77.6178 77.6035 100.2523 O.3 92 THR92 -0.3900 1335 HG1 77.2123 76.9196 99.7291 H 92 THR92 0.2098 1336 CG2 77.8170 76.0977 102.1422 C.3 92 THR92 -0.0370 1337 HG21 78.9029 76.1394 102.1353 H 92 THR92 0.0255 1338 HG22 77.4903 75.2375 101.5608 H 92 THR92 0.0255 1339 HG23 77.5002 75.9332 103.1650 H 92 THR92 0.0255 1340 N 74.4740 75.4310 101.9690 N.am 93 LEU93 -0.2456 1341 H 74.8540 75.3340 102.9110 H 93 LEU93 0.1312 1342 CA 73.4690 74.4720 101.5130 C.3 93 LEU93 0.0880 1343 HA 73.8533 74.0334 100.5949 H 93 LEU93 0.0557 1344 C 72.1290 75.1150 101.1540 C.2 93 LEU93 0.2187 1345 O 71.5170 74.7820 100.1370 O.2 93 LEU93 -0.2778 1346 CB 73.2846 73.3682 102.5761 C.3 93 LEU93 -0.0266 1347 HB1 72.4027 72.7661 102.3518 H 93 LEU93 0.0287 1348 HB2 73.0847 73.8364 103.5389 H 93 LEU93 0.0287 1349 CG 74.4984 72.4271 102.7113 C.3 93 LEU93 -0.0449 1350 HG 75.4043 73.0272 102.7259 H 93 LEU93 0.0296 1351 CD1 74.4542 71.6261 104.0194 C.3 93 LEU93 -0.0626 1352 HD11 75.3291 70.9811 104.1104 H 93 LEU93 0.0232 1353 HD12 73.5670 70.9952 104.0667 H 93 LEU93 0.0232 1354 HD13 74.4487 72.2806 104.8881 H 93 LEU93 0.0232 1355 CD2 74.6049 71.4624 101.5297 C.3 93 LEU93 -0.0626 1356 HD21 75.4736 70.8128 101.6396 H 93 LEU93 0.0232 1357 HD22 74.7019 71.9882 100.5808 H 93 LEU93 0.0232 1358 HD23 73.7226 70.8268 101.4834 H 93 LEU93 0.0232 1359 N 71.6570 76.0880 101.9560 N.am 94 CYS94 -0.2449 1360 H 72.1210 76.2450 102.8500 H 94 CYS94 0.1312 1361 CA 70.5200 76.9270 101.6140 C.3 94 CYS94 0.0965 1362 HA 69.6824 76.2557 101.4207 H 94 CYS94 0.0565 1363 C 70.7530 77.7660 100.3600 C.2 94 CYS94 0.2195 1364 O 69.9080 77.8280 99.4720 O.2 94 CYS94 -0.2778 1365 CB 70.1891 77.8293 102.8093 C.3 94 CYS94 0.0147 1366 HB1 71.0255 78.4902 103.0367 H 94 CYS94 0.0394 1367 HB2 70.0478 77.2105 103.6928 H 94 CYS94 0.0394 1368 SG 68.7043 78.8418 102.5833 S.3 94 CYS94 -0.1762 1369 HG 68.6065 79.6941 103.6090 H 94 CYS94 0.1017 1370 N 71.9340 78.3870 100.2200 N.am 95 ALA95 -0.2459 1371 H 72.5950 78.3520 100.9960 H 95 ALA95 0.1312 1372 CA 72.3160 79.1060 99.0200 C.3 95 ALA95 0.0850 1373 HA 71.5564 79.8755 98.8755 H 95 ALA95 0.0554 1374 C 72.3620 78.2480 97.7500 C.2 95 ALA95 0.2184 1375 O 71.8530 78.6540 96.7110 O.2 95 ALA95 -0.2778 1376 CB 73.6759 79.7699 99.2589 C.3 95 ALA95 -0.0411 1377 HB1 73.9174 80.4607 98.4522 H 95 ALA95 0.0249 1378 HB2 74.4762 79.0327 99.3203 H 95 ALA95 0.0249 1379 HB3 73.6744 80.3377 100.1899 H 95 ALA95 0.0249 1380 N 72.8930 77.0090 97.8160 N.am 96 LEU96 -0.2457 1381 H 73.3980 76.7530 98.6640 H 96 LEU96 0.1312 1382 CA 72.7930 76.0110 96.7550 C.3 96 LEU96 0.0880 1383 HA 73.2660 76.4522 95.8815 H 96 LEU96 0.0557 1384 C 71.3730 75.6070 96.3910 C.2 96 LEU96 0.2187 1385 O 71.0460 75.3690 95.2260 O.2 96 LEU96 -0.2778 1386 CB 73.5401 74.7344 97.2128 C.3 96 LEU96 -0.0266 1387 HB1 73.2578 73.8768 96.5993 H 96 LEU96 0.0287 1388 HB2 73.2172 74.4906 98.2255 H 96 LEU96 0.0287 1389 CG 75.0724 74.8558 97.1815 C.3 96 LEU96 -0.0449 1390 HG 75.3317 75.8351 97.5733 H 96 LEU96 0.0296 1391 CD1 75.7580 73.8247 98.0886 C.3 96 LEU96 -0.0626 1392 HD11 76.8435 73.9230 98.0406 H 96 LEU96 0.0232 1393 HD12 75.5028 72.8058 97.8011 H 96 LEU96 0.0232 1394 HD13 75.4718 73.9620 99.1299 H 96 LEU96 0.0232 1395 CD2 75.6032 74.7252 95.7480 C.3 96 LEU96 -0.0626 1396 HD21 76.6868 74.8268 95.7239 H 96 LEU96 0.0232 1397 HD22 75.1824 75.4871 95.0916 H 96 LEU96 0.0232 1398 HD23 75.3591 73.7499 95.3284 H 96 LEU96 0.0232 1399 N 70.4770 75.4910 97.3850 N.am 97 ALA97 -0.2459 1400 H 70.7940 75.5610 98.3520 H 97 ALA97 0.1312 1401 CA 69.0760 75.2690 97.1180 C.3 97 ALA97 0.0850 1402 HA 69.0113 74.3879 96.4790 H 97 ALA97 0.0554 1403 C 68.4360 76.4400 96.3730 C.2 97 ALA97 0.2184 1404 O 67.7900 76.2580 95.3430 O.2 97 ALA97 -0.2778 1405 CB 68.3523 75.0044 98.4448 C.3 97 ALA97 -0.0411 1406 HB1 67.3093 74.7312 98.2825 H 97 ALA97 0.0249 1407 HB2 68.3707 75.8771 99.0975 H 97 ALA97 0.0249 1408 HB3 68.8300 74.1864 98.9834 H 97 ALA97 0.0249 1409 N 68.6670 77.6850 96.8350 N.am 98 VAL98 -0.2454 1410 H 69.2170 77.7900 97.6870 H 98 VAL98 0.1312 1411 CA 68.1710 78.8900 96.1800 C.3 98 VAL98 0.0901 1412 HA 67.0977 78.7451 96.0509 H 98 VAL98 0.0560 1413 C 68.7600 79.1130 94.7820 C.2 98 VAL98 0.2189 1414 O 68.0520 79.5030 93.8580 O.2 98 VAL98 -0.2778 1415 CB 68.4077 80.0991 97.1118 C.3 98 VAL98 -0.0227 1416 HB 69.4685 80.1213 97.3680 H 98 VAL98 0.0315 1417 CG1 68.0575 81.4427 96.4471 C.3 98 VAL98 -0.0608 1418 HG11 68.1820 82.2684 97.1481 H 98 VAL98 0.0233 1419 HG12 67.0239 81.4519 96.1003 H 98 VAL98 0.0233 1420 HG13 68.6993 81.6510 95.5907 H 98 VAL98 0.0233 1421 CG2 67.6116 79.9542 98.4206 C.3 98 VAL98 -0.0608 1422 HG21 67.8413 80.7671 99.1097 H 98 VAL98 0.0233 1423 HG22 67.8318 79.0221 98.9389 H 98 VAL98 0.0233 1424 HG23 66.5385 79.9754 98.2308 H 98 VAL98 0.0233 1425 N 70.0540 78.8250 94.5540 N.am 99 ASP99 -0.2451 1426 H 70.6380 78.5960 95.3580 H 99 ASP99 0.1312 1427 CA 70.6800 78.8180 93.2350 C.3 99 ASP99 0.0974 1428 HA 70.5714 79.8458 92.8882 H 99 ASP99 0.0563 1429 C 69.9450 77.9490 92.2030 C.2 99 ASP99 0.2192 1430 O 69.5230 78.4200 91.1450 O.2 99 ASP99 -0.2778 1431 CB 72.2082 78.5142 93.3118 C.3 99 ASP99 0.0576 1432 HB1 72.5676 78.6261 94.3331 H 99 ASP99 0.0394 1433 HB2 72.7417 79.2699 92.7362 H 99 ASP99 0.0394 1434 CG 72.7029 77.1438 92.7717 C.2 99 ASP99 0.1780 1435 OD1 72.8332 76.9749 91.5667 O.co2 99 ASP99 -0.6478 1436 OD2 72.9697 76.2378 93.5469 O.co2 99 ASP99 -0.6478 1437 N 69.6900 76.6630 92.5200 N.am 100 ARG100 -0.2456 1438 H 69.9650 76.3010 93.4340 H 100 ARG100 0.1312 1439 CA 69.0280 75.7930 91.5690 C.3 100 ARG100 0.0879 1440 HA 69.3871 76.0839 90.5829 H 100 ARG100 0.0557 1441 C 67.5260 75.9640 91.5430 C.2 100 ARG100 0.2187 1442 O 66.8660 75.5520 90.5940 O.2 100 ARG100 -0.2778 1443 CB 69.4537 74.3363 91.7716 C.3 100 ARG100 -0.0258 1444 HB1 70.4976 74.2891 91.4641 H 100 ARG100 0.0286 1445 HB2 68.9320 73.6861 91.0681 H 100 ARG100 0.0286 1446 CG 69.2699 73.8052 93.2072 C.3 100 ARG100 -0.0154 1447 HG1 68.3097 73.2962 93.2862 H 100 ARG100 0.0299 1448 HG2 69.2086 74.6229 93.9206 H 100 ARG100 0.0299 1449 CD 70.4064 72.8673 93.6354 C.3 100 ARG100 0.1045 1450 HD1 70.3872 71.9552 93.0373 H 100 ARG100 0.0711 1451 HD2 70.3252 72.6103 94.6932 H 100 ARG100 0.0711 1452 NE 71.6874 73.5431 93.4434 N.pl3 100 ARG100 -0.4450 1453 HE 71.7573 74.5552 93.4652 H 100 ARG100 0.3153 1454 CZ 72.8606 72.9900 93.2249 C.cat 100 ARG100 0.5062 1455 NH1 73.0321 71.6992 93.2491 N.pl3 100 ARG100 -0.4573 1456 HH11 73.9364 71.3361 93.0511 H 100 ARG100 0.3114 1457 HH12 72.2536 71.1223 93.4641 H 100 ARG100 0.3114 1458 NH2 73.8611 73.7620 92.9754 N.pl3 100 ARG100 -0.4573 1459 HH21 74.7909 73.4699 92.7901 H 100 ARG100 0.3114 1460 HH22 73.6700 74.7537 92.9580 H 100 ARG100 0.3114 1461 N 66.9380 76.6440 92.5470 N.am 101 TYR101 -0.2453 1462 H 67.4430 76.7700 93.4240 H 101 TYR101 0.1312 1463 CA 65.6060 77.2010 92.4130 C.3 101 TYR101 0.0917 1464 HA 64.9294 76.3731 92.1985 H 101 TYR101 0.0560 1465 C 65.5260 78.2160 91.2840 C.2 101 TYR101 0.2190 1466 O 64.7330 78.0610 90.3650 O.2 101 TYR101 -0.2778 1467 CB 65.2377 77.9045 93.7284 C.3 101 TYR101 -0.0036 1468 HB1 65.9165 78.7255 93.9321 H 101 TYR101 0.0333 1469 HB2 65.3719 77.2245 94.5587 H 101 TYR101 0.0333 1470 CG 63.8347 78.4468 93.7312 C.ar 101 TYR101 -0.0453 1471 CD1 62.7492 77.5818 93.7273 C.ar 101 TYR101 -0.0561 1472 HD1 62.9106 76.5148 93.7366 H 101 TYR101 0.0621 1473 CD2 63.6084 79.8206 93.6976 C.ar 101 TYR101 -0.0561 1474 HD2 64.4453 80.5049 93.6809 H 101 TYR101 0.0621 1475 CE1 61.4583 78.0831 93.6822 C.ar 101 TYR101 -0.0317 1476 HE1 60.6237 77.4081 93.6322 H 101 TYR101 0.0643 1477 CE2 62.3135 80.3225 93.6723 C.ar 101 TYR101 -0.0317 1478 HE2 62.1490 81.3894 93.6479 H 101 TYR101 0.0643 1479 CZ 61.2353 79.4500 93.6690 C.ar 101 TYR101 0.0726 1480 OH 59.9421 79.9317 93.6464 O.3 101 TYR101 -0.3598 1481 HH 59.9638 80.8603 93.4477 H 101 TYR101 0.2173 1482 N 66.4110 79.2310 91.2850 N.am 102 LEU102 -0.2456 1483 H 67.0830 79.2870 92.0500 H 102 LEU102 0.1312 1484 CA 66.4570 80.2500 90.2520 C.3 102 LEU102 0.0880 1485 HA 65.4657 80.7003 90.1964 H 102 LEU102 0.0557 1486 C 66.7950 79.6730 88.8810 C.2 102 LEU102 0.2187 1487 O 66.1860 80.0250 87.8730 O.2 102 LEU102 -0.2778 1488 CB 67.5253 81.2861 90.6502 C.3 102 LEU102 -0.0266 1489 HB1 67.6850 82.0017 89.8421 H 102 LEU102 0.0287 1490 HB2 68.4768 80.7669 90.7784 H 102 LEU102 0.0287 1491 CG 67.1967 82.0569 91.9427 C.3 102 LEU102 -0.0449 1492 HG 66.8213 81.3594 92.6913 H 102 LEU102 0.0296 1493 CD1 68.4615 82.6959 92.5306 C.3 102 LEU102 -0.0626 1494 HD11 68.2402 83.2238 93.4583 H 102 LEU102 0.0232 1495 HD12 68.9060 83.4079 91.8364 H 102 LEU102 0.0232 1496 HD13 69.2122 81.9376 92.7563 H 102 LEU102 0.0232 1497 CD2 66.1125 83.1156 91.7030 C.3 102 LEU102 -0.0626 1498 HD21 65.8811 83.6510 92.6240 H 102 LEU102 0.0232 1499 HD22 65.1877 82.6632 91.3457 H 102 LEU102 0.0232 1500 HD23 66.4361 83.8491 90.9637 H 102 LEU102 0.0232 1501 N 67.7450 78.7200 88.8290 N.am 103 ALA103 -0.2459 1502 H 68.2420 78.4920 89.6900 H 103 ALA103 0.1312 1503 CA 68.1050 77.9980 87.6240 C.3 103 ALA103 0.0850 1504 HA 68.4140 78.7424 86.8968 H 103 ALA103 0.0554 1505 C 66.9650 77.2150 86.9800 C.2 103 ALA103 0.2184 1506 O 66.7970 77.2200 85.7630 O.2 103 ALA103 -0.2778 1507 CB 69.2682 77.0470 87.9264 C.3 103 ALA103 -0.0411 1508 HB1 69.7193 76.6750 87.0063 H 103 ALA103 0.0249 1509 HB2 68.9337 76.1832 88.4993 H 103 ALA103 0.0249 1510 HB3 70.0498 77.5434 88.5007 H 103 ALA103 0.0249 1511 N 66.1420 76.5290 87.7890 N.am 104 VAL104 -0.2454 1512 H 66.3050 76.5740 88.7950 H 104 VAL104 0.1312 1513 CA 65.0320 75.7270 87.3070 C.3 104 VAL104 0.0901 1514 HA 65.3135 75.3291 86.3303 H 104 VAL104 0.0560 1515 C 63.7430 76.5140 87.1110 C.2 104 VAL104 0.2190 1516 O 62.9990 76.2790 86.1570 O.2 104 VAL104 -0.2778 1517 CB 64.8328 74.5443 88.2848 C.3 104 VAL104 -0.0227 1518 HB 64.6832 74.9584 89.2836 H 104 VAL104 0.0315 1519 CG1 63.6018 73.6864 87.9497 C.3 104 VAL104 -0.0608 1520 HG11 63.4871 72.8694 88.6626 H 104 VAL104 0.0233 1521 HG12 63.6841 73.2527 86.9529 H 104 VAL104 0.0233 1522 HG13 62.6875 74.2748 87.9817 H 104 VAL104 0.0233 1523 CG2 66.0768 73.6404 88.3288 C.3 104 VAL104 -0.0608 1524 HG21 65.9632 72.8595 89.0810 H 104 VAL104 0.0233 1525 HG22 66.9847 74.1925 88.5687 H 104 VAL104 0.0233 1526 HG23 66.2393 73.1545 87.3666 H 104 VAL104 0.0233 1527 N 63.4100 77.4750 87.9960 N.am 105 THR105 -0.2434 1528 H 64.0750 77.7370 88.7230 H 105 THR105 0.1313 1529 CA 62.1110 78.1500 87.9330 C.3 105 THR105 0.1135 1530 HA 61.4113 77.4961 87.4117 H 105 THR105 0.0583 1531 C 62.1540 79.4520 87.1620 C.2 105 THR105 0.2212 1532 O 61.1150 80.0550 86.8980 O.2 105 THR105 -0.2777 1533 CB 61.5693 78.3758 89.3595 C.3 105 THR105 0.0763 1534 HB 60.5461 78.7535 89.2626 H 105 THR105 0.0611 1535 OG1 62.3417 79.3665 90.0198 O.3 105 THR105 -0.3900 1536 HG1 62.1280 79.4022 90.9458 H 105 THR105 0.2098 1537 CG2 61.5281 77.0526 90.1498 C.3 105 THR105 -0.0370 1538 HG21 60.9569 77.1516 91.0716 H 105 THR105 0.0255 1539 HG22 62.5287 76.7074 90.4126 H 105 THR105 0.0255 1540 HG23 61.0522 76.2652 89.5650 H 105 THR105 0.0255 1541 N 63.3470 79.8970 86.7210 N.am 106 ASN106 -0.2451 1542 H 64.1890 79.3890 86.9910 H 106 ASN106 0.1312 1543 CA 63.4830 81.0700 85.8770 C.3 106 ASN106 0.0959 1544 HA 62.5428 81.2521 85.3548 H 106 ASN106 0.0562 1545 C 64.5940 80.8780 84.8410 C.2 106 ASN106 0.2218 1546 O 65.5320 81.6750 84.7870 O.2 106 ASN106 -0.2776 1547 CB 63.8085 82.2045 86.8681 C.3 106 ASN106 0.0446 1548 HB1 64.7670 82.0177 87.3539 H 106 ASN106 0.0375 1549 HB2 63.0636 82.2179 87.6637 H 106 ASN106 0.0375 1550 CG 63.8232 83.6047 86.2474 C.2 106 ASN106 0.2000 1551 OD1 63.0026 83.9569 85.4081 O.2 106 ASN106 -0.2797 1552 ND2 64.8099 84.3813 86.7232 N.am 106 ASN106 -0.2723 1553 HD21 64.9325 85.3233 86.4157 H 106 ASN106 0.1266 1554 HD22 65.4522 84.0189 87.3995 H 106 ASN106 0.1266 1555 N 64.5440 79.8520 83.9920 N.am 107 PRO107 -0.2316 1556 CA 65.7120 79.3370 83.2730 C.3 107 PRO107 0.0907 1557 HA 66.4714 79.0805 84.0136 H 107 PRO107 0.0559 1558 C 66.3150 80.3290 82.2940 C.2 107 PRO107 0.2189 1559 O 67.5320 80.3720 82.1350 O.2 107 PRO107 -0.2778 1560 CB 65.1740 78.0819 82.5743 C.3 107 PRO107 -0.0276 1561 HB1 65.3657 77.2162 83.2100 H 107 PRO107 0.0285 1562 HB2 65.6357 77.8805 81.6066 H 107 PRO107 0.0285 1563 CG 63.6660 78.3010 82.4768 C.3 107 PRO107 -0.0379 1564 HG1 63.1082 77.3671 82.4079 H 107 PRO107 0.0278 1565 HG2 63.4423 78.8920 81.5879 H 107 PRO107 0.0278 1566 CD 63.3171 79.1048 83.7280 C.3 107 PRO107 0.0071 1567 HD1 62.4781 79.7855 83.5783 H 107 PRO107 0.0431 1568 HD2 63.1369 78.4472 84.5791 H 107 PRO107 0.0431 1569 N 65.4880 81.1430 81.6180 N.am 108 LEU108 -0.2456 1570 H 64.4850 81.0600 81.7850 H 108 LEU108 0.1312 1571 CA 65.9460 82.1340 80.6630 C.3 108 LEU108 0.0880 1572 HA 66.6595 81.6315 80.0079 H 108 LEU108 0.0557 1573 C 66.6680 83.3140 81.2780 C.2 108 LEU108 0.2187 1574 O 67.6540 83.8110 80.7430 O.2 108 LEU108 -0.2778 1575 CB 64.7431 82.6307 79.8393 C.3 108 LEU108 -0.0266 1576 HB1 65.0917 83.3241 79.0721 H 108 LEU108 0.0287 1577 HB2 64.0779 83.2042 80.4865 H 108 LEU108 0.0287 1578 CG 63.9239 81.5121 79.1651 C.3 108 LEU108 -0.0449 1579 HG 63.5319 80.8462 79.9346 H 108 LEU108 0.0296 1580 CD1 62.7156 82.1033 78.4280 C.3 108 LEU108 -0.0626 1581 HD11 62.1072 81.3175 77.9791 H 108 LEU108 0.0232 1582 HD12 63.0315 82.7756 77.6297 H 108 LEU108 0.0232 1583 HD13 62.0766 82.6675 79.1074 H 108 LEU108 0.0232 1584 CD2 64.7758 80.6694 78.2057 C.3 108 LEU108 -0.0626 1585 HD21 64.1676 79.9179 77.7016 H 108 LEU108 0.0232 1586 HD22 65.5683 80.1388 78.7332 H 108 LEU108 0.0232 1587 HD23 65.2388 81.2909 77.4389 H 108 LEU108 0.0232 1588 N 66.1940 83.8040 82.4360 N.am 109 ARG109 -0.2457 1589 H 65.3950 83.3480 82.8760 H 109 ARG109 0.1312 1590 CA 66.7850 84.9630 83.0780 C.3 109 ARG109 0.0879 1591 HA 67.3584 85.5317 82.3432 H 109 ARG109 0.0557 1592 C 67.7450 84.5340 84.1550 C.2 109 ARG109 0.2187 1593 O 68.2000 85.3520 84.9360 O.2 109 ARG109 -0.2778 1594 CB 65.6618 85.8502 83.6325 C.3 109 ARG109 -0.0258 1595 HB1 66.0862 86.6829 84.1959 H 109 ARG109 0.0286 1596 HB2 65.0770 85.2644 84.3353 H 109 ARG109 0.0286 1597 CG 64.7422 86.4063 82.5311 C.3 109 ARG109 -0.0154 1598 HG1 64.3361 85.5898 81.9330 H 109 ARG109 0.0299 1599 HG2 65.3318 87.0182 81.8473 H 109 ARG109 0.0299 1600 CD 63.5775 87.2394 83.0830 C.3 109 ARG109 0.1045 1601 HD1 62.9669 87.6285 82.2642 H 109 ARG109 0.0711 1602 HD2 63.9439 88.0768 83.6826 H 109 ARG109 0.0711 1603 NE 62.7392 86.3939 83.9321 N.pl3 109 ARG109 -0.4450 1604 HE 63.0441 85.4632 84.1407 H 109 ARG109 0.3153 1605 CZ 61.5810 86.7494 84.4743 C.cat 109 ARG109 0.5062 1606 NH1 60.9522 85.8918 85.2301 N.pl3 109 ARG109 -0.4573 1607 HH11 60.0721 86.1122 85.6426 H 109 ARG109 0.3114 1608 HH12 61.3711 84.9974 85.3946 H 109 ARG109 0.3114 1609 NH2 61.0650 87.9317 84.2671 N.pl3 109 ARG109 -0.4573 1610 HH21 60.1931 88.1831 84.6806 H 109 ARG109 0.3114 1611 HH22 61.5506 88.5831 83.6905 H 109 ARG109 0.3114 1612 N 68.1240 83.2490 84.2160 N.am 110 TYR110 -0.2453 1613 H 67.7350 82.5900 83.5420 H 110 TYR110 0.1312 1614 CA 69.0640 82.7640 85.2030 C.3 110 TYR110 0.0917 1615 HA 68.7456 83.1674 86.1660 H 110 TYR110 0.0560 1616 C 70.4970 83.2380 84.9710 C.2 110 TYR110 0.2188 1617 O 71.1350 83.7590 85.8840 O.2 110 TYR110 -0.2778 1618 CB 69.0297 81.2266 85.2819 C.3 110 TYR110 -0.0036 1619 HB1 69.1398 80.7995 84.2842 H 110 TYR110 0.0333 1620 HB2 68.0558 80.8957 85.6454 H 110 TYR110 0.0333 1621 CG 70.1093 80.6673 86.1851 C.ar 110 TYR110 -0.0453 1622 CD1 70.0189 80.7877 87.5706 C.ar 110 TYR110 -0.0561 1623 HD1 69.1648 81.2773 88.0138 H 110 TYR110 0.0621 1624 CD2 71.2229 80.0307 85.6420 C.ar 110 TYR110 -0.0561 1625 HD2 71.3226 79.9369 84.5706 H 110 TYR110 0.0621 1626 CE1 70.9947 80.2379 88.3961 C.ar 110 TYR110 -0.0317 1627 HE1 70.8966 80.2939 89.4698 H 110 TYR110 0.0643 1628 CE2 72.2177 79.5166 86.4647 C.ar 110 TYR110 -0.0317 1629 HE2 73.0797 79.0262 86.0383 H 110 TYR110 0.0643 1630 CZ 72.1014 79.6102 87.8428 C.ar 110 TYR110 0.0726 1631 OH 73.0883 79.0771 88.6485 O.3 110 TYR110 -0.3598 1632 HH 72.7189 78.7874 89.4781 H 110 TYR110 0.2173 1633 N 71.0320 83.1340 83.7310 N.am 111 GLY111 -0.2485 1634 H 70.4300 82.8760 82.9490 H 111 GLY111 0.1309 1635 CA 72.4580 83.3830 83.4850 C.3 111 GLY111 0.0765 1636 HA1 72.7000 82.9391 82.5202 H 111 GLY111 0.0521 1637 HA2 73.0365 82.8736 84.2572 H 111 GLY111 0.0521 1638 C 72.8160 84.8410 83.4640 C.2 111 GLY111 0.2155 1639 O 73.9810 85.2180 83.3940 O.2 111 GLY111 -0.2781 1640 N 71.7920 85.6990 83.5540 N.am 112 ALA112 -0.2462 1641 H 70.8450 85.3230 83.5060 H 112 ALA112 0.1311 1642 CA 71.9490 87.1210 83.7150 C.3 112 ALA112 0.0850 1643 HA 72.9879 87.3953 83.5244 H 112 ALA112 0.0554 1644 C 71.5970 87.5770 85.1270 C.2 112 ALA112 0.2184 1645 O 71.7340 88.7500 85.4610 O.2 112 ALA112 -0.2778 1646 CB 71.0379 87.8185 82.6984 C.3 112 ALA112 -0.0411 1647 HB1 71.1363 88.9033 82.7540 H 112 ALA112 0.0249 1648 HB2 69.9902 87.5655 82.8656 H 112 ALA112 0.0249 1649 HB3 71.2932 87.5170 81.6824 H 112 ALA112 0.0249 1650 N 71.1560 86.6520 86.0000 N.am 113 LEU113 -0.2457 1651 H 71.0810 85.6860 85.6800 H 113 LEU113 0.1312 1652 CA 70.7800 86.9510 87.3760 C.3 113 LEU113 0.0880 1653 HA 70.6965 88.0331 87.4897 H 113 LEU113 0.0557 1654 C 71.8680 86.4700 88.3130 C.2 113 LEU113 0.2187 1655 O 72.4600 87.2340 89.0760 O.2 113 LEU113 -0.2778 1656 CB 69.4102 86.3015 87.6514 C.3 113 LEU113 -0.0266 1657 HB1 69.4658 85.2155 87.5624 H 113 LEU113 0.0287 1658 HB2 68.7614 86.6315 86.8422 H 113 LEU113 0.0287 1659 CG 68.7174 86.7042 88.9705 C.3 113 LEU113 -0.0449 1660 HG 68.8853 87.7694 89.1355 H 113 LEU113 0.0296 1661 CD1 67.2009 86.4867 88.8581 C.3 113 LEU113 -0.0626 1662 HD11 66.6909 86.7949 89.7712 H 113 LEU113 0.0232 1663 HD12 66.9678 85.4355 88.6844 H 113 LEU113 0.0232 1664 HD13 66.7792 87.0630 88.0343 H 113 LEU113 0.0232 1665 CD2 69.2455 85.9361 90.1895 C.3 113 LEU113 -0.0626 1666 HD21 68.7183 86.2358 91.0954 H 113 LEU113 0.0232 1667 HD22 70.3046 86.1112 90.3671 H 113 LEU113 0.0232 1668 HD23 69.0913 84.8656 90.0641 H 113 LEU113 0.0232 1669 N 72.1990 85.1660 88.2520 N.am 114 VAL114 -0.2454 1670 H 71.7000 84.5620 87.5990 H 114 VAL114 0.1312 1671 CA 73.2380 84.5910 89.0810 C.3 114 VAL114 0.0901 1672 HA 73.3844 85.2228 89.9592 H 114 VAL114 0.0560 1673 C 74.5330 84.5400 88.2930 C.2 114 VAL114 0.2190 1674 O 74.9230 83.5490 87.6840 O.2 114 VAL114 -0.2778 1675 CB 72.8147 83.1781 89.5484 C.3 114 VAL114 -0.0227 1676 HB 72.7439 82.5316 88.6721 H 114 VAL114 0.0315 1677 CG1 73.8434 82.5506 90.5066 C.3 114 VAL114 -0.0608 1678 HG11 73.5292 81.5527 90.8154 H 114 VAL114 0.0233 1679 HG12 73.9650 83.1540 91.4064 H 114 VAL114 0.0233 1680 HG13 74.8228 82.4461 90.0408 H 114 VAL114 0.0233 1681 CG2 71.4286 83.1934 90.2108 C.3 114 VAL114 -0.0608 1682 HG21 71.1900 82.2279 90.6567 H 114 VAL114 0.0233 1683 HG22 70.6484 83.4100 89.4819 H 114 VAL114 0.0233 1684 HG23 71.3764 83.9399 91.0034 H 114 VAL114 0.0233 1685 N 75.2450 85.6750 88.2860 N.am 115 THR115 -0.2434 1686 H 74.8320 86.5020 88.7170 H 115 THR115 0.1313 1687 CA 76.5750 85.8010 87.7000 C.3 115 THR115 0.1135 1688 HA 76.6580 85.0607 86.9026 H 115 THR115 0.0583 1689 C 77.6520 85.4970 88.7310 C.2 115 THR115 0.2212 1690 O 77.3980 85.4110 89.9290 O.2 115 THR115 -0.2777 1691 CB 76.7373 87.2043 87.0808 C.3 115 THR115 0.0763 1692 HB 75.9404 87.2973 86.3305 H 115 THR115 0.0611 1693 OG1 78.0099 87.3003 86.4498 O.3 115 THR115 -0.3900 1694 HG1 78.0578 88.0914 85.9198 H 115 THR115 0.2098 1695 CG2 76.5788 88.3381 88.1084 C.3 115 THR115 -0.0370 1696 HG21 76.6199 89.3183 87.6337 H 115 THR115 0.0255 1697 HG22 77.3661 88.3008 88.8599 H 115 THR115 0.0255 1698 HG23 75.6198 88.2768 88.6220 H 115 THR115 0.0255 1699 N 78.9240 85.3600 88.2990 N.am 116 LYS116 -0.2456 1700 H 79.1110 85.5000 87.3060 H 116 LYS116 0.1312 1701 CA 80.0380 85.0260 89.1620 C.3 116 LYS116 0.0878 1702 HA 79.7438 84.0891 89.6365 H 116 LYS116 0.0557 1703 C 80.2680 86.0290 90.2860 C.2 116 LYS116 0.2187 1704 O 80.5530 85.6540 91.4200 O.2 116 LYS116 -0.2778 1705 CB 81.2961 84.8091 88.2967 C.3 116 LYS116 -0.0289 1706 HB1 81.7982 85.7649 88.1389 H 116 LYS116 0.0285 1707 HB2 80.9982 84.4831 87.3009 H 116 LYS116 0.0285 1708 CG 82.2932 83.7896 88.8837 C.3 116 LYS116 -0.0496 1709 HG1 82.4740 84.0387 89.9306 H 116 LYS116 0.0266 1710 HG2 83.2561 83.8954 88.3835 H 116 LYS116 0.0266 1711 CD 81.8297 82.3214 88.7823 C.3 116 LYS116 -0.0278 1712 HD1 80.8257 82.2312 89.1969 H 116 LYS116 0.0282 1713 HD2 82.4572 81.6958 89.4186 H 116 LYS116 0.0282 1714 CE 81.8378 81.7484 87.3534 C.3 116 LYS116 0.1103 1715 HE1 81.3684 82.4325 86.6454 H 116 LYS116 0.0559 1716 HE2 81.2437 80.8333 87.3307 H 116 LYS116 0.0559 1717 NZ 83.1736 81.4064 86.8553 N.4 116 LYS116 -0.0749 1718 HZ1 83.1057 81.0353 85.8848 H 116 LYS116 0.2742 1719 HZ2 83.5745 80.6404 87.4378 H 116 LYS116 0.2742 1720 HZ3 83.8027 82.2330 86.8737 H 116 LYS116 0.2742 1721 N 80.1420 87.3430 90.0050 N.am 117 ARG117 -0.2457 1722 H 79.9320 87.6240 89.0470 H 117 ARG117 0.1312 1723 CA 80.2950 88.3720 91.0210 C.3 117 ARG117 0.0879 1724 HA 81.2629 88.2174 91.5000 H 117 ARG117 0.0557 1725 C 79.2210 88.3290 92.1020 C.2 117 ARG117 0.2187 1726 O 79.5260 88.3330 93.2890 O.2 117 ARG117 -0.2778 1727 CB 80.2295 89.7662 90.3619 C.3 117 ARG117 -0.0258 1728 HB1 80.2568 90.5294 91.1425 H 117 ARG117 0.0286 1729 HB2 79.2675 89.8856 89.8597 H 117 ARG117 0.0286 1730 CG 81.3547 90.0720 89.3605 C.3 117 ARG117 -0.0154 1731 HG1 81.3146 89.3694 88.5274 H 117 ARG117 0.0299 1732 HG2 82.3208 89.9302 89.8459 H 117 ARG117 0.0299 1733 CD 81.2512 91.5127 88.8309 C.3 117 ARG117 0.1045 1734 HD1 81.2930 92.2241 89.6605 H 117 ARG117 0.0711 1735 HD2 80.3092 91.6576 88.2946 H 117 ARG117 0.0711 1736 NE 82.3537 91.8132 87.9125 N.pl3 117 ARG117 -0.4450 1737 HE 83.0116 91.1006 87.6762 H 117 ARG117 0.3153 1738 CZ 82.5444 93.0094 87.3539 C.cat 117 ARG117 0.5062 1739 NH1 83.5558 93.1909 86.5469 N.pl3 117 ARG117 -0.4573 1740 HH11 83.7057 94.0827 86.1248 H 117 ARG117 0.3114 1741 HH12 84.1852 92.4442 86.3453 H 117 ARG117 0.3114 1742 NH2 81.7391 94.0108 87.5959 N.pl3 117 ARG117 -0.4573 1743 HH21 81.8960 94.9007 87.1725 H 117 ARG117 0.3114 1744 HH22 80.9626 93.8852 88.2077 H 117 ARG117 0.3114 1745 N 77.9350 88.2200 91.7200 N.am 118 CYS118 -0.2449 1746 H 77.7230 88.2320 90.7220 H 118 CYS118 0.1312 1747 CA 76.8330 88.0860 92.6600 C.3 118 CYS118 0.0965 1748 HA 76.9049 88.9244 93.3544 H 118 CYS118 0.0565 1749 C 76.8790 86.8000 93.4680 C.2 118 CYS118 0.2195 1750 O 76.6090 86.8000 94.6670 O.2 118 CYS118 -0.2778 1751 CB 75.5144 88.1693 91.8793 C.3 118 CYS118 0.0147 1752 HB1 74.6665 88.0919 92.5615 H 118 CYS118 0.0394 1753 HB2 75.4328 87.3336 91.1818 H 118 CYS118 0.0394 1754 SG 75.3549 89.7136 90.9443 S.3 118 CYS118 -0.1762 1755 HG 74.1647 89.7410 90.3358 H 118 CYS118 0.1017 1756 N 77.2640 85.6720 92.8420 N.am 119 ALA119 -0.2459 1757 H 77.4030 85.7000 91.8320 H 119 ALA119 0.1312 1758 CA 77.4900 84.4200 93.5340 C.3 119 ALA119 0.0850 1759 HA 76.5596 84.1951 94.0565 H 119 ALA119 0.0554 1760 C 78.6010 84.4820 94.5840 C.2 119 ALA119 0.2184 1761 O 78.4350 84.0340 95.7170 O.2 119 ALA119 -0.2778 1762 CB 77.7500 83.3351 92.4831 C.3 119 ALA119 -0.0411 1763 HB1 77.7717 82.3454 92.9361 H 119 ALA119 0.0249 1764 HB2 78.6923 83.4989 91.9598 H 119 ALA119 0.0249 1765 HB3 76.9557 83.3241 91.7359 H 119 ALA119 0.0249 1766 N 79.7490 85.1150 94.2620 N.am 120 ARG120 -0.2457 1767 H 79.8870 85.4140 93.2960 H 120 ARG120 0.1312 1768 CA 80.7990 85.3900 95.2330 C.3 120 ARG120 0.0879 1769 HA 81.0236 84.4217 95.6842 H 120 ARG120 0.0557 1770 C 80.3520 86.3080 96.3660 C.2 120 ARG120 0.2187 1771 O 80.6260 86.0370 97.5310 O.2 120 ARG120 -0.2778 1772 CB 82.0745 85.9337 94.5702 C.3 120 ARG120 -0.0258 1773 HB1 81.9003 86.9409 94.1879 H 120 ARG120 0.0286 1774 HB2 82.3197 85.3138 93.7075 H 120 ARG120 0.0286 1775 CG 83.2538 85.9221 95.5634 C.3 120 ARG120 -0.0154 1776 HG1 83.3939 84.9028 95.9259 H 120 ARG120 0.0299 1777 HG2 83.0060 86.5211 96.4406 H 120 ARG120 0.0299 1778 CD 84.5787 86.4359 94.9937 C.3 120 ARG120 0.1045 1779 HD1 84.5026 87.4931 94.7268 H 120 ARG120 0.0711 1780 HD2 84.8764 85.8592 94.1147 H 120 ARG120 0.0711 1781 NE 85.6094 86.2813 96.0232 N.pl3 120 ARG120 -0.4450 1782 HE 85.3412 85.8708 96.8947 H 120 ARG120 0.3153 1783 CZ 86.8821 86.6452 95.8935 C.cat 120 ARG120 0.5062 1784 NH1 87.3206 87.2093 94.8000 N.pl3 120 ARG120 -0.4573 1785 HH11 88.2801 87.4696 94.7152 H 120 ARG120 0.3114 1786 HH12 86.6892 87.3805 94.0501 H 120 ARG120 0.3114 1787 NH2 87.7119 86.4337 96.8795 N.pl3 120 ARG120 -0.4573 1788 HH21 88.6698 86.7003 96.7984 H 120 ARG120 0.3114 1789 HH22 87.3907 86.0038 97.7205 H 120 ARG120 0.3114 1790 N 79.6080 87.3910 96.0680 N.am 121 THR121 -0.2434 1791 H 79.4390 87.6050 95.0850 H 121 THR121 0.1313 1792 CA 79.0280 88.2780 97.0790 C.3 121 THR121 0.1135 1793 HA 79.8610 88.6531 97.6740 H 121 THR121 0.0583 1794 C 78.0790 87.5490 98.0150 C.2 121 THR121 0.2212 1795 O 78.1180 87.7260 99.2320 O.2 121 THR121 -0.2777 1796 CB 78.3253 89.4563 96.3784 C.3 121 THR121 0.0763 1797 HB 77.5169 89.0462 95.7614 H 121 THR121 0.0611 1798 OG1 79.2833 90.0895 95.5422 O.3 121 THR121 -0.3900 1799 HG1 78.8843 90.8069 95.0605 H 121 THR121 0.2098 1800 CG2 77.7463 90.4771 97.3770 C.3 121 THR121 -0.0370 1801 HG21 77.2358 91.2973 96.8720 H 121 THR121 0.0255 1802 HG22 78.5348 90.9049 97.9964 H 121 THR121 0.0255 1803 HG23 77.0159 90.0167 98.0422 H 121 THR121 0.0255 1804 N 77.2220 86.6540 97.4840 N.am 122 ALA122 -0.2458 1805 H 77.1610 86.5810 96.4680 H 122 ALA122 0.1312 1806 CA 76.3840 85.7910 98.2920 C.3 122 ALA122 0.0850 1807 HA 75.7940 86.4417 98.9396 H 122 ALA122 0.0554 1808 C 77.1570 84.8190 99.1850 C.2 122 ALA122 0.2184 1809 O 76.8470 84.6670 100.3650 O.2 122 ALA122 -0.2778 1810 CB 75.4561 85.0142 97.3512 C.3 122 ALA122 -0.0411 1811 HB1 74.7712 84.3710 97.9050 H 122 ALA122 0.0249 1812 HB2 76.0255 84.3888 96.6638 H 122 ALA122 0.0249 1813 HB3 74.8563 85.6970 96.7495 H 122 ALA122 0.0249 1814 N 78.2260 84.1760 98.6700 N.am 123 VAL123 -0.2454 1815 H 78.4140 84.2700 97.6720 H 123 VAL123 0.1312 1816 CA 79.1270 83.3530 99.4720 C.3 123 VAL123 0.0901 1817 HA 78.5102 82.5930 99.9549 H 123 VAL123 0.0560 1818 C 79.8140 84.1440 100.5820 C.2 123 VAL123 0.2189 1819 O 79.8560 83.7200 101.7360 O.2 123 VAL123 -0.2778 1820 CB 80.1628 82.6743 98.5395 C.3 123 VAL123 -0.0227 1821 HB 80.5557 83.4366 97.8661 H 123 VAL123 0.0315 1822 CG1 81.3662 82.0723 99.2884 C.3 123 VAL123 -0.0608 1823 HG11 82.0116 81.5118 98.6119 H 123 VAL123 0.0233 1824 HG12 81.0410 81.3952 100.0758 H 123 VAL123 0.0233 1825 HG13 81.9813 82.8438 99.7517 H 123 VAL123 0.0233 1826 CG2 79.5058 81.5884 97.6748 C.3 123 VAL123 -0.0608 1827 HG21 80.2248 81.1391 96.9893 H 123 VAL123 0.0233 1828 HG22 78.6945 81.9932 97.0738 H 123 VAL123 0.0233 1829 HG23 79.0968 80.7888 98.2933 H 123 VAL123 0.0233 1830 N 80.3240 85.3530 100.2860 N.am 124 VAL124 -0.2454 1831 H 80.2960 85.6680 99.3160 H 124 VAL124 0.1312 1832 CA 80.9140 86.2330 101.2840 C.3 124 VAL124 0.0901 1833 HA 81.6945 85.6564 101.7830 H 124 VAL124 0.0560 1834 C 79.9150 86.6390 102.3590 C.2 124 VAL124 0.2189 1835 O 80.2200 86.5880 103.5470 O.2 124 VAL124 -0.2778 1836 CB 81.5437 87.4539 100.5763 C.3 124 VAL124 -0.0227 1837 HB 80.7903 87.8793 99.9110 H 124 VAL124 0.0315 1838 CG1 81.9779 88.5607 101.5544 C.3 124 VAL124 -0.0608 1839 HG11 82.4680 89.3791 101.0267 H 124 VAL124 0.0233 1840 HG12 82.6766 88.1770 102.2984 H 124 VAL124 0.0233 1841 HG13 81.1277 88.9890 102.0860 H 124 VAL124 0.0233 1842 CG2 82.7488 87.0309 99.7202 C.3 124 VAL124 -0.0608 1843 HG21 83.1242 87.8705 99.1352 H 124 VAL124 0.0233 1844 HG22 82.5007 86.2306 99.0258 H 124 VAL124 0.0233 1845 HG23 83.5631 86.6719 100.3499 H 124 VAL124 0.0233 1846 N 78.6630 86.9810 101.9930 N.am 125 LEU125 -0.2456 1847 H 78.4460 87.0620 100.9990 H 125 LEU125 0.1312 1848 CA 77.6120 87.2390 102.9640 C.3 125 LEU125 0.0880 1849 HA 77.9807 88.0444 103.5988 H 125 LEU125 0.0557 1850 C 77.2890 86.0450 103.8600 C.2 125 LEU125 0.2187 1851 O 77.1620 86.1990 105.0730 O.2 125 LEU125 -0.2778 1852 CB 76.3590 87.7005 102.2006 C.3 125 LEU125 -0.0266 1853 HB1 76.0636 86.9191 101.4990 H 125 LEU125 0.0287 1854 HB2 76.6196 88.5639 101.5876 H 125 LEU125 0.0287 1855 CG 75.1530 88.0584 103.0922 C.3 125 LEU125 -0.0449 1856 HG 74.8650 87.1737 103.6622 H 125 LEU125 0.0296 1857 CD1 75.4837 89.1732 104.0947 C.3 125 LEU125 -0.0626 1858 HD11 74.6087 89.4301 104.6923 H 125 LEU125 0.0232 1859 HD12 75.8179 90.0766 103.5845 H 125 LEU125 0.0232 1860 HD13 76.2666 88.8687 104.7891 H 125 LEU125 0.0232 1861 CD2 73.9468 88.4479 102.2293 C.3 125 LEU125 -0.0626 1862 HD21 73.0746 88.6602 102.8482 H 125 LEU125 0.0232 1863 HD22 73.6781 87.6415 101.5464 H 125 LEU125 0.0232 1864 HD23 74.1587 89.3355 101.6327 H 125 LEU125 0.0232 1865 N 77.2240 84.8170 103.3040 N.am 126 VAL126 -0.2454 1866 H 77.2970 84.7480 102.2890 H 126 VAL126 0.1312 1867 CA 77.0560 83.5790 104.0640 C.3 126 VAL126 0.0901 1868 HA 76.0956 83.6520 104.5762 H 126 VAL126 0.0560 1869 C 78.1300 83.3920 105.1410 C.2 126 VAL126 0.2189 1870 O 77.8350 83.1350 106.3080 O.2 126 VAL126 -0.2778 1871 CB 77.0184 82.3950 103.0633 C.3 126 VAL126 -0.0227 1872 HB 77.7592 82.5824 102.2876 H 126 VAL126 0.0315 1873 CG1 77.3772 81.0349 103.6867 C.3 126 VAL126 -0.0608 1874 HG11 77.1532 80.2159 103.0050 H 126 VAL126 0.0233 1875 HG12 76.8198 80.8711 104.6048 H 126 VAL126 0.0233 1876 HG13 78.4378 80.9714 103.9318 H 126 VAL126 0.0233 1877 CG2 75.6503 82.3112 102.3696 C.3 126 VAL126 -0.0608 1878 HG21 75.6423 81.5324 101.6066 H 126 VAL126 0.0233 1879 HG22 75.3880 83.2513 101.8856 H 126 VAL126 0.0233 1880 HG23 74.8616 82.0794 103.0863 H 126 VAL126 0.0233 1881 N 79.4160 83.5760 104.7960 N.am 127 TRP127 -0.2453 1882 H 79.6390 83.7840 103.8230 H 127 TRP127 0.1312 1883 CA 80.5000 83.4890 105.7600 C.3 127 TRP127 0.0918 1884 HA 80.3245 82.5779 106.3314 H 127 TRP127 0.0560 1885 C 80.5640 84.6570 106.7440 C.2 127 TRP127 0.2190 1886 O 80.9040 84.4940 107.9130 O.2 127 TRP127 -0.2778 1887 CB 81.8367 83.3556 105.0097 C.3 127 TRP127 -0.0021 1888 HB1 82.6767 83.6338 105.6482 H 127 TRP127 0.0334 1889 HB2 81.8619 84.0262 104.1496 H 127 TRP127 0.0334 1890 CG 82.0499 81.9241 104.5536 C.ar 127 TRP127 -0.0260 1891 CD1 81.5903 81.3525 103.3638 C.ar 127 TRP127 -0.0136 1892 HD1 80.9991 81.8481 102.6112 H 127 TRP127 0.0748 1893 CD2 82.7686 80.8824 105.2502 C.ar 127 TRP127 -0.0028 1894 NE1 82.0053 80.0651 103.2957 N.ar 127 TRP127 -0.2641 1895 HE1 81.8100 79.4431 102.5637 H 127 TRP127 0.1331 1896 CE2 82.7316 79.7329 104.4270 C.ar 127 TRP127 0.0269 1897 CE3 83.4192 80.8362 106.4539 C.ar 127 TRP127 -0.0528 1898 HE3 83.4412 81.7126 107.0844 H 127 TRP127 0.0624 1899 CZ2 83.3472 78.5780 104.8253 C.ar 127 TRP127 -0.0430 1900 HZ2 83.3108 77.7061 104.1882 H 127 TRP127 0.0633 1901 CZ3 84.0492 79.6599 106.8648 C.ar 127 TRP127 -0.0611 1902 HZ3 84.5664 79.6223 107.8118 H 127 TRP127 0.0618 1903 CH2 84.0141 78.5292 106.0492 C.ar 127 TRP127 -0.0602 1904 HH2 84.5032 77.6190 106.3637 H 127 TRP127 0.0618 1905 N 80.2130 85.8860 106.3230 N.am 128 VAL128 -0.2454 1906 H 80.0150 86.0260 105.3320 H 128 VAL128 0.1312 1907 CA 80.1040 87.0260 107.2250 C.3 128 VAL128 0.0901 1908 HA 81.0523 87.0929 107.7605 H 128 VAL128 0.0560 1909 C 79.0190 86.8480 108.2780 C.2 128 VAL128 0.2189 1910 O 79.2440 87.0850 109.4660 O.2 128 VAL128 -0.2778 1911 CB 79.9014 88.3061 106.3809 C.3 128 VAL128 -0.0227 1912 HB 79.1226 88.0972 105.6461 H 128 VAL128 0.0315 1913 CG1 79.4393 89.5227 107.2029 C.3 128 VAL128 -0.0608 1914 HG11 79.3708 90.4123 106.5765 H 128 VAL128 0.0233 1915 HG12 80.1366 89.7381 108.0130 H 128 VAL128 0.0233 1916 HG13 78.4531 89.3651 107.6403 H 128 VAL128 0.0233 1917 CG2 81.1881 88.6687 105.6210 C.3 128 VAL128 -0.0608 1918 HG21 81.0080 89.4752 104.9100 H 128 VAL128 0.0233 1919 HG22 81.5927 87.8248 105.0651 H 128 VAL128 0.0233 1920 HG23 81.9656 88.9999 106.3097 H 128 VAL128 0.0233 1921 N 77.8120 86.3790 107.8990 N.am 129 VAL129 -0.2454 1922 H 77.6210 86.2320 106.9080 H 129 VAL129 0.1312 1923 CA 76.7760 86.0790 108.8780 C.3 129 VAL129 0.0901 1924 HA 76.7249 86.9525 109.5296 H 129 VAL129 0.0560 1925 C 77.1340 84.9050 109.7750 C.2 129 VAL129 0.2190 1926 O 76.8820 84.9340 110.9770 O.2 129 VAL129 -0.2778 1927 CB 75.3822 85.9110 108.2313 C.3 129 VAL129 -0.0227 1928 HB 74.6615 85.7890 109.0418 H 129 VAL129 0.0315 1929 CG1 74.9658 87.1743 107.4629 C.3 129 VAL129 -0.0608 1930 HG11 73.9499 87.0777 107.0789 H 129 VAL129 0.0233 1931 HG12 75.6194 87.3644 106.6132 H 129 VAL129 0.0233 1932 HG13 74.9936 88.0529 108.1072 H 129 VAL129 0.0233 1933 CG2 75.2503 84.6651 107.3443 C.3 129 VAL129 -0.0608 1934 HG21 74.2462 84.5859 106.9263 H 129 VAL129 0.0233 1935 HG22 75.4338 83.7439 107.8969 H 129 VAL129 0.0233 1936 HG23 75.9465 84.7041 106.5141 H 129 VAL129 0.0233 1937 N 77.7880 83.8480 109.2490 N.am 130 SER130 -0.2436 1938 H 77.9550 83.8190 108.2430 H 130 SER130 0.1312 1939 CA 78.2620 82.7470 110.0780 C.3 130 SER130 0.1109 1940 HA 77.3835 82.3758 110.6054 H 130 SER130 0.0580 1941 C 79.3040 83.1390 111.1200 C.2 130 SER130 0.2209 1942 O 79.2300 82.7370 112.2830 O.2 130 SER130 -0.2777 1943 CB 78.8326 81.6261 109.1824 C.3 130 SER130 0.0681 1944 HB1 78.2169 81.4914 108.2893 H 130 SER130 0.0577 1945 HB2 78.7868 80.6789 109.7203 H 130 SER130 0.0577 1946 OG 80.1845 81.7996 108.7884 O.3 130 SER130 -0.3930 1947 HG 80.3854 82.7295 108.7611 H 130 SER130 0.2095 1948 N 80.2790 83.9810 110.7350 N.am 131 ALA131 -0.2459 1949 H 80.3440 84.2140 109.7440 H 131 ALA131 0.1312 1950 CA 81.2390 84.5760 111.6330 C.3 131 ALA131 0.0850 1951 HA 81.7276 83.7631 112.1663 H 131 ALA131 0.0554 1952 C 80.6220 85.5070 112.6710 C.2 131 ALA131 0.2184 1953 O 80.9740 85.4770 113.8480 O.2 131 ALA131 -0.2778 1954 CB 82.2584 85.3338 110.7766 C.3 131 ALA131 -0.0411 1955 HB1 83.0359 85.7898 111.3871 H 131 ALA131 0.0249 1956 HB2 81.7784 86.1239 110.1973 H 131 ALA131 0.0249 1957 HB3 82.7436 84.6596 110.0705 H 131 ALA131 0.0249 1958 N 79.6350 86.3330 112.2830 N.am 132 ALA132 -0.2459 1959 H 79.4040 86.3890 111.2910 H 132 ALA132 0.1312 1960 CA 78.8870 87.1470 113.2200 C.3 132 ALA132 0.0850 1961 HA 79.6144 87.7761 113.7353 H 132 ALA132 0.0554 1962 C 78.1180 86.3540 114.2800 C.2 132 ALA132 0.2184 1963 O 78.1350 86.6940 115.4610 O.2 132 ALA132 -0.2778 1964 CB 77.9179 88.0239 112.4186 C.3 132 ALA132 -0.0411 1965 HB1 77.3749 88.7126 113.0666 H 132 ALA132 0.0249 1966 HB2 77.1864 87.4190 111.8819 H 132 ALA132 0.0249 1967 HB3 78.4556 88.6188 111.6801 H 132 ALA132 0.0249 1968 N 77.4620 85.2410 113.8940 N.am 133 VAL133 -0.2454 1969 H 77.3960 85.0360 112.8970 H 133 VAL133 0.1312 1970 CA 76.8420 84.3160 114.8390 C.3 133 VAL133 0.0901 1971 HA 76.1710 84.9064 115.4646 H 133 VAL133 0.0560 1972 C 77.8720 83.6610 115.7630 C.2 133 VAL133 0.2190 1973 O 77.6920 83.5880 116.9760 O.2 133 VAL133 -0.2778 1974 CB 76.0310 83.2493 114.0626 C.3 133 VAL133 -0.0227 1975 HB 76.6908 82.8017 113.3171 H 133 VAL133 0.0315 1976 CG1 75.5087 82.1127 114.9629 C.3 133 VAL133 -0.0608 1977 HG11 74.8744 81.4285 114.3999 H 133 VAL133 0.0233 1978 HG12 74.9154 82.5055 115.7890 H 133 VAL133 0.0233 1979 HG13 76.3214 81.5208 115.3849 H 133 VAL133 0.0233 1980 CG2 74.8475 83.8800 113.3131 C.3 133 VAL133 -0.0608 1981 HG21 74.3506 83.1398 112.6852 H 133 VAL133 0.0233 1982 HG22 75.1567 84.6988 112.6662 H 133 VAL133 0.0233 1983 HG23 74.1072 84.2753 114.0088 H 133 VAL133 0.0233 1984 N 79.0220 83.2240 115.2120 N.am 134 SER134 -0.2436 1985 H 79.1220 83.3030 114.2000 H 134 SER134 0.1312 1986 CA 80.1380 82.6440 115.9610 C.3 134 SER134 0.1109 1987 HA 79.7640 81.7498 116.4571 H 134 SER134 0.0580 1988 C 80.7610 83.5320 117.0220 C.2 134 SER134 0.2209 1989 O 81.1230 83.0600 118.0990 O.2 134 SER134 -0.2777 1990 CB 81.2811 82.2783 115.0064 C.3 134 SER134 0.0681 1991 HB1 81.5333 83.1464 114.3881 H 134 SER134 0.0577 1992 HB2 80.9579 81.4783 114.3398 H 134 SER134 0.0577 1993 OG 82.3999 81.8382 115.7723 O.3 134 SER134 -0.3930 1994 HG 83.2281 81.9392 115.3149 H 134 SER134 0.2095 1995 N 80.9340 84.8360 116.7540 N.am 135 PHE135 -0.2453 1996 H 80.5430 85.2260 115.8970 H 135 PHE135 0.1312 1997 CA 81.6680 85.7020 117.6620 C.3 135 PHE135 0.0917 1998 HA 82.3081 85.0829 118.2903 H 135 PHE135 0.0560 1999 C 80.7560 86.4200 118.6460 C.2 135 PHE135 0.2190 2000 O 81.2070 87.2100 119.4730 O.2 135 PHE135 -0.2778 2001 CB 82.5558 86.6656 116.8576 C.3 135 PHE135 -0.0036 2002 HB1 83.1121 87.3182 117.5314 H 135 PHE135 0.0333 2003 HB2 81.9254 87.3109 116.2442 H 135 PHE135 0.0333 2004 CG 83.5519 85.9475 115.9725 C.ar 135 PHE135 -0.0454 2005 CD1 84.3038 84.8713 116.4464 C.ar 135 PHE135 -0.0585 2006 HD1 84.1981 84.5265 117.4640 H 135 PHE135 0.0620 2007 CD2 83.7519 86.3689 114.6604 C.ar 135 PHE135 -0.0585 2008 HD2 83.1866 87.2024 114.2697 H 135 PHE135 0.0620 2009 CE1 85.2011 84.2098 115.6185 C.ar 135 PHE135 -0.0615 2010 HE1 85.7661 83.3705 115.9978 H 135 PHE135 0.0618 2011 CE2 84.6581 85.7167 113.8340 C.ar 135 PHE135 -0.0615 2012 HE2 84.8029 86.0540 112.8187 H 135 PHE135 0.0618 2013 CZ 85.3778 84.6309 114.3094 C.ar 135 PHE135 -0.0617 2014 HZ 86.0767 84.1182 113.6649 H 135 PHE135 0.0618 2015 N 79.4490 86.0970 118.6390 N.am 136 ALA136 -0.2459 2016 H 79.1140 85.4840 117.8960 H 136 ALA136 0.1312 2017 CA 78.4870 86.5630 119.6170 C.3 136 ALA136 0.0852 2018 HA 78.5046 87.6510 119.5379 H 136 ALA136 0.0554 2019 C 78.7510 86.2260 121.0970 C.2 136 ALA136 0.2211 2020 O 78.5400 87.1280 121.9060 O.2 136 ALA136 -0.2776 2021 CB 77.0992 86.0684 119.1955 C.3 136 ALA136 -0.0411 2022 HB1 76.3176 86.4731 119.8391 H 136 ALA136 0.0249 2023 HB2 77.0377 84.9831 119.2333 H 136 ALA136 0.0249 2024 HB3 76.8762 86.3712 118.1719 H 136 ALA136 0.0249 2025 N 79.1930 85.0500 121.5640 N.am 137 PRO137 -0.2316 2026 CA 79.3400 84.7960 122.9950 C.3 137 PRO137 0.0907 2027 HA 78.5008 85.2354 123.5364 H 137 PRO137 0.0559 2028 C 80.6360 85.3350 123.5640 C.2 137 PRO137 0.2189 2029 O 80.7300 85.4160 124.7840 O.2 137 PRO137 -0.2778 2030 CB 79.3110 83.2640 123.0490 C.3 137 PRO137 -0.0276 2031 HB1 78.2741 82.9305 123.1022 H 137 PRO137 0.0285 2032 HB2 79.8326 82.8436 123.9107 H 137 PRO137 0.0285 2033 CG 79.9083 82.8125 121.7162 C.3 137 PRO137 -0.0379 2034 HG1 79.5488 81.8317 121.4043 H 137 PRO137 0.0278 2035 HG2 80.9940 82.7535 121.8095 H 137 PRO137 0.0278 2036 CD 79.5456 83.9149 120.7176 C.3 137 PRO137 0.0071 2037 HD1 80.4035 84.1865 120.1067 H 137 PRO137 0.0431 2038 HD2 78.6871 83.6578 120.0968 H 137 PRO137 0.0431 2039 N 81.6370 85.7030 122.7310 N.am 138 ILE138 -0.2454 2040 H 81.5050 85.5640 121.7290 H 138 ILE138 0.1312 2041 CA 82.8980 86.2890 123.1880 C.3 138 ILE138 0.0903 2042 HA 83.3125 85.5993 123.9255 H 138 ILE138 0.0560 2043 C 82.6520 87.6240 123.8860 C.2 138 ILE138 0.2189 2044 O 83.1860 87.9400 124.9520 O.2 138 ILE138 -0.2778 2045 CB 83.8616 86.4284 121.9877 C.3 138 ILE138 -0.0201 2046 HB 83.4543 87.1905 121.3211 H 138 ILE138 0.0318 2047 CG1 83.9680 85.1364 121.1467 C.3 138 ILE138 -0.0514 2048 HG11 84.6684 85.3022 120.3275 H 138 ILE138 0.0266 2049 HG12 83.0130 84.9199 120.6672 H 138 ILE138 0.0266 2050 CG2 85.2542 86.9094 122.4286 C.3 138 ILE138 -0.0605 2051 HG21 85.9317 86.9855 121.5781 H 138 ILE138 0.0233 2052 HG22 85.7016 86.2229 123.1484 H 138 ILE138 0.0233 2053 HG23 85.2082 87.8921 122.8977 H 138 ILE138 0.0233 2054 CD1 84.4183 83.9019 121.9412 C.3 138 ILE138 -0.0650 2055 HD11 84.5073 83.0337 121.2882 H 138 ILE138 0.0230 2056 HD12 83.7056 83.6478 122.7257 H 138 ILE138 0.0230 2057 HD13 85.3902 84.0579 122.4105 H 138 ILE138 0.0230 2058 N 81.7530 88.4460 123.3100 N.am 139 MET139 -0.2456 2059 H 81.4690 88.2680 122.3470 H 139 MET139 0.1312 2060 CA 81.1770 89.5720 124.0120 C.3 139 MET139 0.0886 2061 HA 82.0002 90.1667 124.4111 H 139 MET139 0.0557 2062 C 80.2920 89.1000 125.1530 C.2 139 MET139 0.2188 2063 O 79.4190 88.2570 124.9770 O.2 139 MET139 -0.2778 2064 CB 80.3393 90.3916 123.0170 C.3 139 MET139 -0.0199 2065 HB1 79.8297 91.2018 123.5395 H 139 MET139 0.0293 2066 HB2 79.5541 89.7595 122.5983 H 139 MET139 0.0293 2067 CG 81.1680 90.9793 121.8669 C.3 139 MET139 -0.0047 2068 HG1 80.5081 91.5038 121.1757 H 139 MET139 0.0377 2069 HG2 81.6504 90.1977 121.2788 H 139 MET139 0.0377 2070 SD 82.4227 92.1341 122.4570 S.3 139 MET139 -0.1641 2071 CE 81.3645 93.5476 122.8181 C.3 139 MET139 -0.0181 2072 HE1 81.9661 94.4479 122.9419 H 139 MET139 0.0340 2073 HE2 80.7826 93.3685 123.7222 H 139 MET139 0.0340 2074 HE3 80.6702 93.7182 121.9954 H 139 MET139 0.0340 2075 N 80.5300 89.6300 126.3720 N.am 140 SER140 -0.2436 2076 H 81.2490 90.3480 126.4560 H 140 SER140 0.1312 2077 CA 79.8110 89.2280 127.5740 C.3 140 SER140 0.1109 2078 HA 80.2318 89.8468 128.3651 H 140 SER140 0.0580 2079 C 80.0660 87.7800 127.9770 C.2 140 SER140 0.2209 2080 O 79.1910 87.1250 128.5280 O.2 140 SER140 -0.2777 2081 CB 78.3057 89.5379 127.4710 C.3 140 SER140 0.0681 2082 HB1 77.8110 89.2710 128.4110 H 140 SER140 0.0577 2083 HB2 77.8474 88.9376 126.6775 H 140 SER140 0.0577 2084 OG 78.1265 90.9278 127.2208 O.3 140 SER140 -0.3930 2085 HG 77.2046 91.1404 127.0951 H 140 SER140 0.2095 2086 N 81.2990 87.2590 127.7860 N.am 141 GLN141 -0.2456 2087 H 82.0310 87.8920 127.4620 H 141 GLN141 0.1312 2088 CA 81.6680 85.8570 128.0070 C.3 141 GLN141 0.0882 2089 HA 80.9989 85.3110 127.3410 H 141 GLN141 0.0557 2090 C 81.3960 85.3000 129.4090 C.2 141 GLN141 0.2187 2091 O 81.1010 84.1210 129.5960 O.2 141 GLN141 -0.2778 2092 CB 83.1135 85.6147 127.5323 C.3 141 GLN141 -0.0210 2093 HB1 83.8063 86.1488 128.1832 H 141 GLN141 0.0289 2094 HB2 83.2336 86.0576 126.5441 H 141 GLN141 0.0289 2095 CG 83.5358 84.1338 127.4427 C.3 141 GLN141 0.0225 2096 HG1 83.5414 83.6726 128.4303 H 141 GLN141 0.0356 2097 HG2 84.5547 84.0636 127.0602 H 141 GLN141 0.0356 2098 CD 82.6291 83.3148 126.5049 C.2 141 GLN141 0.1981 2099 OE1 82.7475 83.3511 125.2888 O.2 141 GLN141 -0.2798 2100 NE2 81.7161 82.5691 127.1450 N.am 141 GLN141 -0.2724 2101 HE21 81.0991 81.9997 126.6058 H 141 GLN141 0.1266 2102 HE22 81.6495 82.5859 128.1423 H 141 GLN141 0.1266 2103 N 81.4510 86.1540 130.4490 N.am 142 TRP142 -0.2453 2104 H 81.7420 87.1150 130.2660 H 142 TRP142 0.1312 2105 CA 81.1210 85.7890 131.8180 C.3 142 TRP142 0.0918 2106 HA 81.5680 84.8079 131.9848 H 142 TRP142 0.0560 2107 C 79.6230 85.6080 132.0800 C.2 142 TRP142 0.2190 2108 O 79.2070 85.1270 133.1340 O.2 142 TRP142 -0.2778 2109 CB 81.7485 86.7953 132.7927 C.3 142 TRP142 -0.0021 2110 HB1 81.4679 86.5694 133.8224 H 142 TRP142 0.0334 2111 HB2 81.4088 87.8090 132.5786 H 142 TRP142 0.0334 2112 CG 83.2564 86.7211 132.6756 C.ar 142 TRP142 -0.0260 2113 CD1 84.0885 87.6754 132.0837 C.ar 142 TRP142 -0.0136 2114 HD1 83.7599 88.6082 131.6489 H 142 TRP142 0.0748 2115 CD2 84.1088 85.6334 133.0920 C.ar 142 TRP142 -0.0028 2116 NE1 85.3695 87.2329 132.1207 N.ar 142 TRP142 -0.2641 2117 HE1 86.1437 87.7103 131.7554 H 142 TRP142 0.1331 2118 CE2 85.4278 85.9806 132.7192 C.ar 142 TRP142 0.0269 2119 CE3 83.8624 84.4321 133.7036 C.ar 142 TRP142 -0.0528 2120 HE3 82.8533 84.1658 133.9802 H 142 TRP142 0.0624 2121 CZ2 86.4587 85.1151 132.9673 C.ar 142 TRP142 -0.0430 2122 HZ2 87.4627 85.3799 132.6707 H 142 TRP142 0.0633 2123 CZ3 84.9105 83.5460 133.9549 C.ar 142 TRP142 -0.0611 2124 HZ3 84.7168 82.5930 134.4262 H 142 TRP142 0.0618 2125 CH2 86.2113 83.8884 133.5856 C.ar 142 TRP142 -0.0602 2126 HH2 87.0243 83.2014 133.7707 H 142 TRP142 0.0618 2127 N 78.7640 86.0070 131.1280 N.am 143 TRP143 -0.2453 2128 H 79.1440 86.4400 130.2860 H 143 TRP143 0.1312 2129 CA 77.3290 85.8570 131.2310 C.3 143 TRP143 0.0918 2130 HA 77.0578 86.2174 132.2249 H 143 TRP143 0.0560 2131 C 76.8310 84.4190 131.0850 C.2 143 TRP143 0.2190 2132 O 76.8770 83.7850 130.0320 O.2 143 TRP143 -0.2778 2133 CB 76.6563 86.7617 130.1857 C.3 143 TRP143 -0.0021 2134 HB1 76.9030 86.4354 129.1748 H 143 TRP143 0.0334 2135 HB2 77.0121 87.7876 130.2843 H 143 TRP143 0.0334 2136 CG 75.1522 86.7317 130.3593 C.ar 143 TRP143 -0.0260 2137 CD1 74.2667 85.9399 129.6269 C.ar 143 TRP143 -0.0136 2138 HD1 74.5630 85.2672 128.8365 H 143 TRP143 0.0748 2139 CD2 74.3583 87.4479 131.3260 C.ar 143 TRP143 -0.0028 2140 NE1 73.0064 86.1317 130.0849 N.ar 143 TRP143 -0.2641 2141 HE1 72.2100 85.6810 129.7335 H 143 TRP143 0.1331 2142 CE2 73.0147 87.0508 131.1266 C.ar 143 TRP143 0.0269 2143 CE3 74.6697 88.3506 132.3072 C.ar 143 TRP143 -0.0528 2144 HE3 75.6961 88.6534 132.4532 H 143 TRP143 0.0624 2145 CZ2 72.0238 87.5739 131.9121 C.ar 143 TRP143 -0.0430 2146 HZ2 70.9995 87.2731 131.7518 H 143 TRP143 0.0633 2147 CZ3 73.6612 88.8863 133.1087 C.ar 143 TRP143 -0.0611 2148 HZ3 73.9048 89.6074 133.8755 H 143 TRP143 0.0618 2149 CH2 72.3358 88.4981 132.9103 C.ar 143 TRP143 -0.0602 2150 HH2 71.5516 88.9180 133.5233 H 143 TRP143 0.0618 2151 N 76.2900 83.8790 132.1870 N.am 144 ARG144 -0.2456 2152 H 76.3140 84.4230 133.0490 H 144 ARG144 0.1312 2153 CA 75.6760 82.5740 132.2240 C.3 144 ARG144 0.0879 2154 HA 75.9542 82.0531 131.3055 H 144 ARG144 0.0557 2155 C 74.1690 82.6950 132.1590 C.2 144 ARG144 0.2187 2156 O 73.6010 83.7460 132.4390 O.2 144 ARG144 -0.2778 2157 CB 76.2066 81.7138 133.3831 C.3 144 ARG144 -0.0258 2158 HB1 77.2320 81.4342 133.1363 H 144 ARG144 0.0286 2159 HB2 75.6581 80.7721 133.4378 H 144 ARG144 0.0286 2160 CG 76.2385 82.3794 134.7624 C.3 144 ARG144 -0.0154 2161 HG1 76.8265 83.2977 134.7378 H 144 ARG144 0.0299 2162 HG2 76.7715 81.7046 135.4309 H 144 ARG144 0.0299 2163 CD 74.8637 82.6439 135.3764 C.3 144 ARG144 0.1045 2164 HD1 74.2258 81.7609 135.2856 H 144 ARG144 0.0711 2165 HD2 74.3661 83.4982 134.9106 H 144 ARG144 0.0711 2166 NE 75.0832 82.9465 136.7889 N.pl3 144 ARG144 -0.4450 2167 HE 75.9992 83.2441 137.0661 H 144 ARG144 0.3153 2168 CZ 74.1772 82.8500 137.7501 C.cat 144 ARG144 0.5062 2169 NH1 74.5367 83.1111 138.9774 N.pl3 144 ARG144 -0.4573 2170 HH11 73.8799 83.0592 139.7255 H 144 ARG144 0.3114 2171 HH12 75.4848 83.3646 139.1640 H 144 ARG144 0.3114 2172 NH2 72.9459 82.4993 137.4902 N.pl3 144 ARG144 -0.4573 2173 HH21 72.2755 82.4155 138.2231 H 144 ARG144 0.3114 2174 HH22 72.6852 82.3159 136.5458 H 144 ARG144 0.3114 2175 N 73.4530 81.5960 131.8620 N.am 145 VAL145 -0.2454 2176 H 73.9320 80.7570 131.5360 H 145 VAL145 0.1312 2177 CA 72.0040 81.5870 131.9990 C.3 145 VAL145 0.0901 2178 HA 71.6561 82.6195 132.0650 H 145 VAL145 0.0560 2179 C 71.6000 80.9070 133.3040 C.2 145 VAL145 0.2187 2180 O 72.3330 80.0850 133.8470 O.2 145 VAL145 -0.2778 2181 CB 71.2963 80.9706 130.7813 C.3 145 VAL145 -0.0227 2182 HB 71.7034 81.4874 129.9215 H 145 VAL145 0.0315 2183 CG1 71.5411 79.4622 130.6302 C.3 145 VAL145 -0.0608 2184 HG11 71.0101 79.0733 129.7622 H 145 VAL145 0.0233 2185 HG12 71.1768 78.9086 131.4952 H 145 VAL145 0.0233 2186 HG13 72.6004 79.2365 130.5061 H 145 VAL145 0.0233 2187 CG2 69.7937 81.2899 130.7446 C.3 145 VAL145 -0.0608 2188 HG21 69.3554 80.9566 129.8065 H 145 VAL145 0.0233 2189 HG22 69.6157 82.3626 130.8229 H 145 VAL145 0.0233 2190 HG23 69.2439 80.7998 131.5437 H 145 VAL145 0.0233 2191 N 70.4310 81.2570 133.8930 N.am 146 GLY146 -0.2485 2192 H 69.8810 82.0060 133.4720 H 146 GLY146 0.1309 2193 CA 69.9160 80.6110 135.1080 C.3 146 GLY146 0.0765 2194 HA1 69.2644 81.3345 135.5966 H 146 GLY146 0.0521 2195 HA2 70.7507 80.3984 135.7764 H 146 GLY146 0.0521 2196 C 69.1370 79.3500 134.8800 C.2 146 GLY146 0.2155 2197 O 68.7340 78.6930 135.8270 O.2 146 GLY146 -0.2781 2198 N 68.9050 78.9770 133.6140 N.am 147 ALA147 -0.2462 2199 H 69.2170 79.5850 132.8570 H 147 ALA147 0.1311 2200 CA 68.2260 77.7410 133.2840 C.3 147 ALA147 0.0850 2201 HA 67.4319 77.5755 134.0149 H 147 ALA147 0.0554 2202 C 69.1620 76.5410 133.3100 C.2 147 ALA147 0.2184 2203 O 68.7380 75.3870 133.3220 O.2 147 ALA147 -0.2778 2204 CB 67.6175 77.8874 131.8828 C.3 147 ALA147 -0.0411 2205 HB1 67.0646 76.9927 131.5920 H 147 ALA147 0.0249 2206 HB2 68.3865 78.0645 131.1293 H 147 ALA147 0.0249 2207 HB3 66.9226 78.7264 131.8475 H 147 ALA147 0.0249 2208 N 70.4840 76.7890 133.3400 N.am 148 ASP148 -0.2451 2209 H 70.8080 77.7560 133.3090 H 148 ASP148 0.1312 2210 CA 71.4540 75.7280 133.4140 C.3 148 ASP148 0.0974 2211 HA 71.0323 74.8379 132.9444 H 148 ASP148 0.0563 2212 C 71.8220 75.4250 134.8670 C.2 148 ASP148 0.2192 2213 O 72.0960 76.3010 135.6860 O.2 148 ASP148 -0.2778 2214 CB 72.6967 76.2014 132.6157 C.3 148 ASP148 0.0576 2215 HB1 73.3499 76.8239 133.2270 H 148 ASP148 0.0394 2216 HB2 72.3670 76.8383 131.7945 H 148 ASP148 0.0394 2217 CG 73.5440 75.0751 131.9773 C.2 148 ASP148 0.1780 2218 OD1 74.0683 74.2130 132.6590 O.co2 148 ASP148 -0.6478 2219 OD2 73.7042 75.0351 130.7661 O.co2 148 ASP148 -0.6478 2220 N 71.8680 74.1290 135.2150 N.am 149 ALA149 -0.2459 2221 H 71.6170 73.4350 134.5120 H 149 ALA149 0.1312 2222 CA 72.2530 73.6580 136.5310 C.3 149 ALA149 0.0850 2223 HA 71.8285 74.3444 137.2659 H 149 ALA149 0.0554 2224 C 73.7680 73.6550 136.6810 C.2 149 ALA149 0.2184 2225 O 74.3450 73.5240 137.7660 O.2 149 ALA149 -0.2778 2226 CB 71.6929 72.2484 136.7493 C.3 149 ALA149 -0.0411 2227 HB1 71.8727 71.9066 137.7690 H 149 ALA149 0.0249 2228 HB2 72.1495 71.5262 136.0725 H 149 ALA149 0.0249 2229 HB3 70.6159 72.2297 136.5807 H 149 ALA149 0.0249 2230 N 74.4520 73.8360 135.5440 N.am 150 GLU150 -0.2456 2231 H 73.9210 73.8500 134.6730 H 150 GLU150 0.1312 2232 CA 75.8730 74.0120 135.4540 C.3 150 GLU150 0.0883 2233 HA 76.3182 73.7636 136.4118 H 150 GLU150 0.0557 2234 C 76.2450 75.4440 135.1240 C.2 150 GLU150 0.2187 2235 O 77.2780 75.7320 134.5190 O.2 150 GLU150 -0.2778 2236 CB 76.4198 73.1150 134.3162 C.3 150 GLU150 -0.0193 2237 HB1 77.4826 72.9306 134.4706 H 150 GLU150 0.0290 2238 HB2 76.3799 73.6970 133.3957 H 150 GLU150 0.0290 2239 CG 75.7038 71.7674 134.0276 C.3 150 GLU150 0.0356 2240 HG1 74.6217 71.8357 134.1328 H 150 GLU150 0.0374 2241 HG2 76.0514 70.9765 134.6897 H 150 GLU150 0.0374 2242 CD 75.9842 71.3694 132.5642 C.2 150 GLU150 0.1760 2243 OE1 77.1032 71.5462 132.1041 O.co2 150 GLU150 -0.6478 2244 OE2 75.0919 70.9289 131.8470 O.co2 150 GLU150 -0.6478 2245 N 75.4080 76.3970 135.5760 N.am 151 ALA151 -0.2459 2246 H 74.5360 76.0830 136.0020 H 151 ALA151 0.1312 2247 CA 75.6310 77.8270 135.5140 C.3 151 ALA151 0.0850 2248 HA 75.4992 78.0902 134.4632 H 151 ALA151 0.0554 2249 C 77.0230 78.2770 135.9490 C.2 151 ALA151 0.2184 2250 O 77.4020 78.1540 137.1090 O.2 151 ALA151 -0.2778 2251 CB 74.5587 78.5410 136.3449 C.3 151 ALA151 -0.0411 2252 HB1 74.6793 79.6237 136.3051 H 151 ALA151 0.0249 2253 HB2 74.5983 78.2343 137.3907 H 151 ALA151 0.0249 2254 HB3 73.5620 78.3117 135.9687 H 151 ALA151 0.0249 2255 N 77.8230 78.7840 134.9800 N.am 152 GLN152 -0.2456 2256 H 77.4010 78.9320 134.0630 H 152 GLN152 0.1312 2257 CA 79.2330 79.1390 135.1240 C.3 152 GLN152 0.0882 2258 HA 79.5695 79.2183 134.0906 H 152 GLN152 0.0557 2259 C 80.1340 78.0450 135.7180 C.2 152 GLN152 0.2187 2260 O 81.1530 78.3230 136.3380 O.2 152 GLN152 -0.2778 2261 CB 79.4219 80.5438 135.7411 C.3 152 GLN152 -0.0210 2262 HB1 78.9502 81.2641 135.0722 H 152 GLN152 0.0289 2263 HB2 80.4827 80.8000 135.7315 H 152 GLN152 0.0289 2264 CG 78.8621 80.7357 137.1643 C.3 152 GLN152 0.0225 2265 HG1 79.4182 80.1426 137.8906 H 152 GLN152 0.0356 2266 HG2 77.8205 80.4363 137.2214 H 152 GLN152 0.0356 2267 CD 78.8682 82.2093 137.5902 C.2 152 GLN152 0.1981 2268 OE1 77.8228 82.8312 137.7484 O.2 152 GLN152 -0.2798 2269 NE2 80.0933 82.7238 137.7648 N.am 152 GLN152 -0.2724 2270 HE21 80.2005 83.6789 138.0397 H 152 GLN152 0.1266 2271 HE22 80.9152 82.1715 137.6258 H 152 GLN152 0.1266 2272 N 79.8150 76.7510 135.4860 N.am 153 ARG153 -0.2457 2273 H 79.0370 76.5390 134.8620 H 153 ARG153 0.1312 2274 CA 80.5470 75.6490 136.0990 C.3 153 ARG153 0.0879 2275 HA 80.8039 75.9547 137.1153 H 153 ARG153 0.0557 2276 C 81.8340 75.2650 135.3930 C.2 153 ARG153 0.2187 2277 O 82.8990 75.2220 135.9940 O.2 153 ARG153 -0.2778 2278 CB 79.6109 74.4226 136.1545 C.3 153 ARG153 -0.0258 2279 HB1 79.3328 74.1380 135.1389 H 153 ARG153 0.0286 2280 HB2 78.6842 74.7131 136.6499 H 153 ARG153 0.0286 2281 CG 80.2139 73.2025 136.8808 C.3 153 ARG153 -0.0154 2282 HG1 80.4212 73.4669 137.9171 H 153 ARG153 0.0299 2283 HG2 81.1801 72.9532 136.4414 H 153 ARG153 0.0299 2284 CD 79.3388 71.9369 136.8086 C.3 153 ARG153 0.1045 2285 HD1 79.8198 71.0822 137.2910 H 153 ARG153 0.0711 2286 HD2 79.1698 71.6537 135.7661 H 153 ARG153 0.0711 2287 NE 78.0185 72.1342 137.4130 N.pl3 153 ARG153 -0.4450 2288 HE 77.2205 72.1629 136.8127 H 153 ARG153 0.3153 2289 CZ 77.7844 72.2753 138.7151 C.cat 153 ARG153 0.5062 2290 NH1 76.5704 72.5156 139.1309 N.pl3 153 ARG153 -0.4573 2291 HH11 76.3756 72.5990 140.1042 H 153 ARG153 0.3114 2292 HH12 75.8181 72.6241 138.4791 H 153 ARG153 0.3114 2293 NH2 78.7489 72.1783 139.5906 N.pl3 153 ARG153 -0.4573 2294 HH21 78.5637 72.2894 140.5637 H 153 ARG153 0.3114 2295 HH22 79.6744 71.9909 139.2727 H 153 ARG153 0.3114 2296 N 81.8070 75.0260 134.0670 N.am 154 CYS154 -0.2449 2297 H 80.9200 75.0880 133.5680 H 154 CYS154 0.1312 2298 CA 83.0210 74.6790 133.3270 C.3 154 CYS154 0.0965 2299 HA 83.6473 74.0555 133.9652 H 154 CYS154 0.0565 2300 C 83.8190 75.9280 132.9720 C.2 154 CYS154 0.2195 2301 O 84.9640 75.8560 132.5380 O.2 154 CYS154 -0.2778 2302 CB 82.5738 73.8603 132.1161 C.3 154 CYS154 0.0147 2303 HB1 83.4057 73.6572 131.4395 H 154 CYS154 0.0394 2304 HB2 81.8284 74.4285 131.5742 H 154 CYS154 0.0394 2305 SG 81.7826 72.2996 132.5941 S.3 154 CYS154 -0.1762 2306 HG 81.3967 71.6374 131.4997 H 154 CYS154 0.1017 2307 N 83.2620 77.1200 133.2660 N.am 155 HIS155 -0.2453 2308 H 82.2970 77.1320 133.5970 H 155 HIS155 0.1312 2309 CA 83.9600 78.3910 133.1370 C.3 155 HIS155 0.0932 2310 HA 84.6698 78.3228 132.3102 H 155 HIS155 0.0561 2311 C 84.7150 78.7700 134.4070 C.2 155 HIS155 0.2191 2312 O 85.2490 79.8690 134.5240 O.2 155 HIS155 -0.2778 2313 CB 82.9219 79.4944 132.8661 C.3 155 HIS155 0.0146 2314 HB1 83.4048 80.4694 132.7790 H 155 HIS155 0.0348 2315 HB2 82.2082 79.5646 133.6881 H 155 HIS155 0.0348 2316 CG 82.1650 79.2276 131.5851 C.ar 155 HIS155 0.0551 2317 ND1 82.5240 79.7366 130.3896 N.ar 155 HIS155 -0.2469 2318 CD2 80.9669 78.5129 131.4161 C.ar 155 HIS155 0.0047 2319 HD2 80.4202 77.9941 132.1888 H 155 HIS155 0.0764 2320 CE1 81.5773 79.3521 129.5190 C.ar 155 HIS155 0.0737 2321 HE1 81.5929 79.6095 128.4684 H 155 HIS155 0.0963 2322 NE2 80.6226 78.6093 130.1110 N.ar 155 HIS155 -0.2539 2323 HE2 79.8377 78.2187 129.6736 H 155 HIS155 0.1339 2324 N 84.8490 77.8370 135.3720 N.am 156 SER156 -0.2436 2325 H 84.2830 76.9910 135.3120 H 156 SER156 0.1312 2326 CA 85.7690 77.9820 136.5010 C.3 156 SER156 0.1109 2327 HA 85.9351 79.0444 136.6833 H 156 SER156 0.0580 2328 C 87.1130 77.3340 136.2100 C.2 156 SER156 0.2209 2329 O 87.9950 77.2630 137.0620 O.2 156 SER156 -0.2777 2330 CB 85.1515 77.3407 137.7510 C.3 156 SER156 0.0681 2331 HB1 84.1744 77.7983 137.9373 H 156 SER156 0.0577 2332 HB2 85.7902 77.5510 138.6171 H 156 SER156 0.0577 2333 OG 85.0050 75.9362 137.5746 O.3 156 SER156 -0.3930 2334 HG 84.6593 75.5223 138.3603 H 156 SER156 0.2095 2335 N 87.2740 76.8580 134.9610 N.am 157 ASN157 -0.2451 2336 H 86.5320 77.0700 134.2940 H 157 ASN157 0.1312 2337 CA 88.3870 76.0770 134.4630 C.3 157 ASN157 0.0959 2338 HA 88.0756 75.8230 133.4489 H 157 ASN157 0.0562 2339 C 88.6640 74.7350 135.1720 C.2 157 ASN157 0.2218 2340 O 89.7630 74.5500 135.6970 O.2 157 ASN157 -0.2776 2341 CB 89.6437 76.9646 134.3840 C.3 157 ASN157 0.0446 2342 HB1 90.0848 77.1092 135.3705 H 157 ASN157 0.0375 2343 HB2 89.3668 77.9529 134.0167 H 157 ASN157 0.0375 2344 CG 90.7131 76.4004 133.4293 C.2 157 ASN157 0.2000 2345 OD1 90.6365 75.2800 132.9402 O.2 157 ASN157 -0.2797 2346 ND2 91.7167 77.2586 133.1936 N.am 157 ASN157 -0.2723 2347 HD21 92.4580 76.9946 132.5787 H 157 ASN157 0.1266 2348 HD22 91.7332 78.1618 133.6216 H 157 ASN157 0.1266 2349 N 87.7850 73.7210 135.1510 N.am 158 PRO158 -0.2316 2350 CA 88.1090 72.4020 135.7000 C.3 158 PRO158 0.0907 2351 HA 88.7613 72.5032 136.5684 H 158 PRO158 0.0559 2352 C 88.7590 71.5520 134.6270 C.2 158 PRO158 0.2189 2353 O 88.8640 70.3390 134.7950 O.2 158 PRO158 -0.2778 2354 CB 86.7213 71.8378 136.0715 C.3 158 PRO158 -0.0276 2355 HB1 86.6485 71.6621 137.1449 H 158 PRO158 0.0285 2356 HB2 86.5111 70.8830 135.5860 H 158 PRO158 0.0285 2357 CG 85.6896 72.8816 135.6274 C.3 158 PRO158 -0.0379 2358 HG1 85.3726 73.4598 136.4959 H 158 PRO158 0.0278 2359 HG2 84.7941 72.4349 135.1989 H 158 PRO158 0.0278 2360 CD 86.4173 73.8137 134.6606 C.3 158 PRO158 0.0071 2361 HD1 86.4160 73.4569 133.6304 H 158 PRO158 0.0431 2362 HD2 86.0167 74.8216 134.7127 H 158 PRO158 0.0431 2363 N 89.1820 72.1930 133.5170 N.am 159 ARG159 -0.2456 2364 H 89.1190 73.2110 133.5280 H 159 ARG159 0.1312 2365 CA 89.7170 71.5920 132.3100 C.3 159 ARG159 0.0879 2366 HA 90.0422 72.4382 131.7043 H 159 ARG159 0.0557 2367 C 88.6410 70.8720 131.4960 C.2 159 ARG159 0.2187 2368 O 88.8340 69.7890 130.9480 O.2 159 ARG159 -0.2778 2369 CB 90.9299 70.7015 132.6061 C.3 159 ARG159 -0.0258 2370 HB1 91.3375 70.3171 131.6696 H 159 ARG159 0.0286 2371 HB2 90.6074 69.8397 133.1822 H 159 ARG159 0.0286 2372 CG 92.0322 71.4273 133.3853 C.3 159 ARG159 -0.0154 2373 HG1 91.6382 71.7844 134.3374 H 159 ARG159 0.0299 2374 HG2 92.3567 72.3101 132.8331 H 159 ARG159 0.0299 2375 CD 93.2264 70.5108 133.6546 C.3 159 ARG159 0.1045 2376 HD1 93.7244 70.2448 132.7183 H 159 ARG159 0.0711 2377 HD2 92.9004 69.5967 134.1589 H 159 ARG159 0.0711 2378 NE 94.1764 71.2008 134.5267 N.pl3 159 ARG159 -0.4450 2379 HE 93.9196 72.1049 134.8677 H 159 ARG159 0.3153 2380 CZ 95.3478 70.6918 134.8925 C.cat 159 ARG159 0.5062 2381 NH1 96.1223 71.3776 135.6891 N.pl3 159 ARG159 -0.4573 2382 HH11 97.0064 71.0129 135.9707 H 159 ARG159 0.3114 2383 HH12 95.8269 72.2716 136.0187 H 159 ARG159 0.3114 2384 NH2 95.7370 69.5176 134.4700 N.pl3 159 ARG159 -0.4573 2385 HH21 96.6166 69.1393 134.7476 H 159 ARG159 0.3114 2386 HH22 95.1413 68.9984 133.8620 H 159 ARG159 0.3114 2387 N 87.4680 71.5090 131.3610 N.am 160 CYS160 -0.2449 2388 H 87.3380 72.3800 131.8760 H 160 CYS160 0.1312 2389 CA 86.3750 71.0440 130.5340 C.3 160 CYS160 0.0965 2390 HA 86.7427 70.2535 129.8799 H 160 CYS160 0.0565 2391 C 85.9510 72.1920 129.6550 C.2 160 CYS160 0.2195 2392 O 86.2870 73.3450 129.9070 O.2 160 CYS160 -0.2778 2393 CB 85.2476 70.4873 131.4072 C.3 160 CYS160 0.0147 2394 HB1 85.5929 69.5677 131.8810 H 160 CYS160 0.0394 2395 HB2 84.3880 70.2122 130.7951 H 160 CYS160 0.0394 2396 SG 84.7086 71.6143 132.7099 S.3 160 CYS160 -0.1762 2397 HG 83.7662 71.0220 133.4474 H 160 CYS160 0.1017 2398 N 85.2120 71.9000 128.5710 N.am 161 CYS161 -0.2448 2399 H 84.9220 70.9350 128.4160 H 161 CYS161 0.1312 2400 CA 84.8160 72.9140 127.6180 C.3 161 CYS161 0.0965 2401 HA 85.2787 73.8742 127.8538 H 161 CYS161 0.0565 2402 C 83.3190 73.0500 127.6770 C.2 161 CYS161 0.2195 2403 O 82.5810 72.0700 127.6020 O.2 161 CYS161 -0.2778 2404 CB 85.2151 72.4584 126.2053 C.3 161 CYS161 0.0147 2405 HB1 84.9910 71.3975 126.0832 H 161 CYS161 0.0394 2406 HB2 86.2914 72.5601 126.0776 H 161 CYS161 0.0394 2407 SG 84.3802 73.3554 124.8658 S.3 161 CYS161 -0.1762 2408 HG 85.2397 74.1725 124.2485 H 161 CYS161 0.1017 2409 N 82.8380 74.2890 127.8420 N.am 162 ALA162 -0.2459 2410 H 83.4940 75.0680 127.8910 H 162 ALA162 0.1312 2411 CA 81.4310 74.5610 127.9530 C.3 162 ALA162 0.0850 2412 HA 80.8798 73.6569 128.2078 H 162 ALA162 0.0554 2413 C 80.9460 75.1650 126.6580 C.2 162 ALA162 0.2184 2414 O 81.4410 76.1950 126.2040 O.2 162 ALA162 -0.2778 2415 CB 81.2585 75.6475 129.0215 C.3 162 ALA162 -0.0411 2416 HB1 80.2201 75.7411 129.3407 H 162 ALA162 0.0249 2417 HB2 81.5922 76.6231 128.6667 H 162 ALA162 0.0249 2418 HB3 81.8761 75.4440 129.8853 H 162 ALA162 0.0249 2419 N 79.9290 74.5450 126.0300 N.am 163 PHE163 -0.2453 2420 H 79.6820 73.5950 126.3060 H 163 PHE163 0.1312 2421 CA 79.1760 75.1870 124.9760 C.3 163 PHE163 0.0917 2422 HA 79.9174 75.5334 124.2525 H 163 PHE163 0.0560 2423 C 78.4420 76.4220 125.4930 C.2 163 PHE163 0.2190 2424 O 78.0950 76.5240 126.6710 O.2 163 PHE163 -0.2778 2425 CB 78.2517 74.1597 124.2714 C.3 163 PHE163 -0.0036 2426 HB1 78.3302 73.1928 124.7607 H 163 PHE163 0.0333 2427 HB2 78.6037 73.9963 123.2528 H 163 PHE163 0.0333 2428 CG 76.7847 74.5086 124.2065 C.ar 163 PHE163 -0.0454 2429 CD1 75.9132 74.0474 125.1878 C.ar 163 PHE163 -0.0585 2430 HD1 76.2968 73.4670 126.0114 H 163 PHE163 0.0620 2431 CD2 76.2739 75.2532 123.1465 C.ar 163 PHE163 -0.0585 2432 HD2 76.9347 75.6218 122.3758 H 163 PHE163 0.0620 2433 CE1 74.5523 74.3079 125.1070 C.ar 163 PHE163 -0.0615 2434 HE1 73.8821 73.9435 125.8719 H 163 PHE163 0.0618 2435 CE2 74.9137 75.5238 123.0671 C.ar 163 PHE163 -0.0615 2436 HE2 74.5202 76.0999 122.2422 H 163 PHE163 0.0618 2437 CZ 74.0511 75.0385 124.0401 C.ar 163 PHE163 -0.0617 2438 HZ 72.9909 75.2324 123.9686 H 163 PHE163 0.0618 2439 N 78.2080 77.4240 124.6310 N.am 164 ALA164 -0.2459 2440 H 78.5290 77.3390 123.6660 H 164 ALA164 0.1312 2441 CA 77.5110 78.6180 125.0440 C.3 164 ALA164 0.0850 2442 HA 77.9683 78.9575 125.9756 H 164 ALA164 0.0554 2443 C 76.0270 78.3590 125.3030 C.2 164 ALA164 0.2185 2444 O 75.1800 78.4980 124.4270 O.2 164 ALA164 -0.2778 2445 CB 77.7218 79.6940 123.9739 C.3 164 ALA164 -0.0411 2446 HB1 77.1636 80.6042 124.1964 H 164 ALA164 0.0249 2447 HB2 77.4129 79.3307 122.9962 H 164 ALA164 0.0249 2448 HB3 78.7755 79.9641 123.8987 H 164 ALA164 0.0249 2449 N 75.6910 77.9870 126.5540 N.am 165 SER165 -0.2436 2450 H 76.4090 78.0450 127.2760 H 165 SER165 0.1312 2451 CA 74.3690 77.5070 126.9470 C.3 165 SER165 0.1109 2452 HA 73.9290 77.0361 126.0687 H 165 SER165 0.0580 2453 C 73.4670 78.6610 127.3430 C.2 165 SER165 0.2209 2454 O 72.3670 78.4940 127.8570 O.2 165 SER165 -0.2777 2455 CB 74.4739 76.4591 128.0575 C.3 165 SER165 0.0681 2456 HB1 74.6655 76.9478 129.0225 H 165 SER165 0.0577 2457 HB2 75.3186 75.7983 127.8492 H 165 SER165 0.0577 2458 OG 73.2887 75.6700 128.0608 O.3 165 SER165 -0.3930 2459 HG 73.1300 75.2941 128.9251 H 165 SER165 0.2095 2460 N 73.8930 79.9180 127.0870 N.am 166 ASN166 -0.2451 2461 H 74.8430 80.0530 126.7420 H 166 ASN166 0.1312 2462 CA 73.0500 81.0820 127.2840 C.3 166 ASN166 0.0957 2463 HA 72.7855 81.0539 128.3320 H 166 ASN166 0.0562 2464 C 71.7830 81.0000 126.4380 C.2 166 ASN166 0.2191 2465 O 71.8490 81.1270 125.2220 O.2 166 ASN166 -0.2778 2466 CB 73.8454 82.3611 126.9839 C.3 166 ASN166 0.0446 2467 HB1 74.1711 82.3852 125.9447 H 166 ASN166 0.0375 2468 HB2 74.7424 82.4008 127.6015 H 166 ASN166 0.0375 2469 CG 73.0029 83.6055 127.2969 C.2 166 ASN166 0.2000 2470 OD1 72.2690 83.6485 128.2752 O.2 166 ASN166 -0.2797 2471 ND2 73.1455 84.6039 126.4129 N.am 166 ASN166 -0.2723 2472 HD21 72.6321 85.4506 126.5498 H 166 ASN166 0.1266 2473 HD22 73.7556 84.5257 125.6253 H 166 ASN166 0.1266 2474 N 70.6060 80.8140 127.0670 N.am 167 MET167 -0.2456 2475 H 70.5820 80.8980 128.0830 H 167 MET167 0.1312 2476 CA 69.3680 80.5000 126.3700 C.3 167 MET167 0.0888 2477 HA 69.5599 79.5330 125.9008 H 167 MET167 0.0557 2478 C 68.9890 81.4510 125.2340 C.2 167 MET167 0.2214 2479 O 68.7320 80.9220 124.1580 O.2 167 MET167 -0.2776 2480 CB 68.2225 80.3042 127.3829 C.3 167 MET167 -0.0199 2481 HB1 68.0429 81.2235 127.9335 H 167 MET167 0.0293 2482 HB2 68.5310 79.5737 128.1317 H 167 MET167 0.0293 2483 CG 66.8981 79.8288 126.7648 C.3 167 MET167 -0.0047 2484 HG1 66.9627 78.7815 126.4788 H 167 MET167 0.0377 2485 HG2 66.6513 80.3715 125.8528 H 167 MET167 0.0377 2486 SD 65.5358 80.0119 127.9286 S.3 167 MET167 -0.1641 2487 CE 64.9407 81.6245 127.3894 C.3 167 MET167 -0.0181 2488 HE1 64.2000 82.0108 128.0894 H 167 MET167 0.0340 2489 HE2 64.5025 81.5519 126.3938 H 167 MET167 0.0340 2490 HE3 65.7703 82.3300 127.3384 H 167 MET167 0.0340 2491 N 68.9930 82.7880 125.2900 N.am 168 PRO168 -0.2316 2492 CA 68.8520 83.6340 124.1030 C.3 168 PRO168 0.0907 2493 HA 67.8302 83.4969 123.7464 H 168 PRO168 0.0559 2494 C 69.8190 83.3230 122.9840 C.2 168 PRO168 0.2189 2495 O 69.4050 83.2120 121.8360 O.2 168 PRO168 -0.2778 2496 CB 69.0655 85.0534 124.6520 C.3 168 PRO168 -0.0276 2497 HB1 68.4502 85.7938 124.1404 H 168 PRO168 0.0285 2498 HB2 70.1062 85.3656 124.5479 H 168 PRO168 0.0285 2499 CG 68.7443 84.9528 126.1402 C.3 168 PRO168 -0.0379 2500 HG1 67.6700 85.0706 126.2865 H 168 PRO168 0.0278 2501 HG2 69.2477 85.7155 126.7349 H 168 PRO168 0.0278 2502 CD 69.1559 83.5353 126.5313 C.3 168 PRO168 0.0071 2503 HD1 70.2059 83.4783 126.8137 H 168 PRO168 0.0431 2504 HD2 68.5213 83.1323 127.3165 H 168 PRO168 0.0431 2505 N 71.1140 83.1400 123.2830 N.am 169 TYR169 -0.2453 2506 H 71.4230 83.2750 124.2450 H 169 TYR169 0.1312 2507 CA 72.0870 82.7560 122.2780 C.3 169 TYR169 0.0917 2508 HA 72.0191 83.4903 121.4737 H 169 TYR169 0.0560 2509 C 71.7930 81.3890 121.6680 C.2 169 TYR169 0.2190 2510 O 71.8980 81.2200 120.4600 O.2 169 TYR169 -0.2778 2511 CB 73.5091 82.7823 122.8774 C.3 169 TYR169 -0.0036 2512 HB1 73.5225 82.2391 123.8202 H 169 TYR169 0.0333 2513 HB2 73.8002 83.8067 123.1098 H 169 TYR169 0.0333 2514 CG 74.5354 82.1595 121.9606 C.ar 169 TYR169 -0.0453 2515 CD1 75.1292 82.8937 120.9375 C.ar 169 TYR169 -0.0561 2516 HD1 74.9094 83.9454 120.8249 H 169 TYR169 0.0621 2517 CD2 74.8207 80.8004 122.0668 C.ar 169 TYR169 -0.0561 2518 HD2 74.3424 80.2102 122.8348 H 169 TYR169 0.0621 2519 CE1 75.9791 82.2716 120.0294 C.ar 169 TYR169 -0.0317 2520 HE1 76.4295 82.8310 119.2237 H 169 TYR169 0.0643 2521 CE2 75.6515 80.1757 121.1491 C.ar 169 TYR169 -0.0317 2522 HE2 75.8398 79.1154 121.2260 H 169 TYR169 0.0643 2523 CZ 76.2372 80.9135 120.1342 C.ar 169 TYR169 0.0726 2524 OH 77.0614 80.2956 119.2194 O.3 169 TYR169 -0.3598 2525 HH 77.2090 79.3938 119.4691 H 169 TYR169 0.2173 2526 N 71.4030 80.3880 122.4760 N.am 170 VAL170 -0.2454 2527 H 71.3460 80.5600 123.4800 H 170 VAL170 0.1312 2528 CA 71.0590 79.0660 121.9680 C.3 170 VAL170 0.0901 2529 HA 71.9118 78.7578 121.3650 H 170 VAL170 0.0560 2530 C 69.8490 79.0760 121.0330 C.2 170 VAL170 0.2189 2531 O 69.8170 78.3920 120.0060 O.2 170 VAL170 -0.2778 2532 CB 70.8892 78.0399 123.1045 C.3 170 VAL170 -0.0227 2533 HB 70.0289 78.3218 123.7134 H 170 VAL170 0.0315 2534 CG1 70.6543 76.6364 122.5230 C.3 170 VAL170 -0.0608 2535 HG11 70.7199 75.8637 123.2889 H 170 VAL170 0.0233 2536 HG12 71.4087 76.4138 121.7693 H 170 VAL170 0.0233 2537 HG13 69.6766 76.5483 122.0487 H 170 VAL170 0.0233 2538 CG2 72.1213 77.9958 124.0165 C.3 170 VAL170 -0.0608 2539 HG21 71.9816 77.2746 124.8217 H 170 VAL170 0.0233 2540 HG22 72.3345 78.9538 124.4792 H 170 VAL170 0.0233 2541 HG23 73.0047 77.7061 123.4502 H 170 VAL170 0.0233 2542 N 68.7980 79.8600 121.3520 N.am 171 LEU171 -0.2456 2543 H 68.8030 80.3610 122.2410 H 171 LEU171 0.1312 2544 CA 67.6600 80.0090 120.4630 C.3 171 LEU171 0.0880 2545 HA 67.3556 79.0043 120.1691 H 171 LEU171 0.0557 2546 C 68.0240 80.7440 119.1810 C.2 171 LEU171 0.2187 2547 O 67.6790 80.3100 118.0820 O.2 171 LEU171 -0.2778 2548 CB 66.5197 80.6886 121.2399 C.3 171 LEU171 -0.0266 2549 HB1 65.6675 80.8557 120.5798 H 171 LEU171 0.0287 2550 HB2 66.8563 81.6761 121.5604 H 171 LEU171 0.0287 2551 CG 66.0541 79.8866 122.4776 C.3 171 LEU171 -0.0449 2552 HG 66.9174 79.6624 123.1030 H 171 LEU171 0.0296 2553 CD1 65.0957 80.7187 123.3380 C.3 171 LEU171 -0.0626 2554 HD11 64.7834 80.1647 124.2240 H 171 LEU171 0.0232 2555 HD12 64.1990 80.9898 122.7805 H 171 LEU171 0.0232 2556 HD13 65.5734 81.6386 123.6767 H 171 LEU171 0.0232 2557 CD2 65.4107 78.5427 122.1008 C.3 171 LEU171 -0.0626 2558 HD21 65.0728 78.0106 122.9905 H 171 LEU171 0.0232 2559 HD22 66.1141 77.8862 121.5895 H 171 LEU171 0.0232 2560 HD23 64.5475 78.6852 121.4505 H 171 LEU171 0.0232 2561 N 68.7760 81.8590 119.2840 N.am 172 LEU172 -0.2456 2562 H 69.0370 82.1860 120.2140 H 172 LEU172 0.1312 2563 CA 69.2300 82.6140 118.1310 C.3 172 LEU172 0.0880 2564 HA 68.3450 82.8078 117.5250 H 172 LEU172 0.0557 2565 C 70.1850 81.8260 117.2380 C.2 172 LEU172 0.2187 2566 O 70.0370 81.8290 116.0190 O.2 172 LEU172 -0.2778 2567 CB 69.8624 83.9436 118.5901 C.3 172 LEU172 -0.0266 2568 HB1 70.6753 84.2323 117.9212 H 172 LEU172 0.0287 2569 HB2 70.3352 83.8026 119.5623 H 172 LEU172 0.0287 2570 CG 68.8730 85.1251 118.6468 C.3 172 LEU172 -0.0449 2571 HG 69.4051 85.9587 119.1071 H 172 LEU172 0.0296 2572 CD1 68.4646 85.5846 117.2391 C.3 172 LEU172 -0.0626 2573 HD11 67.8508 86.4844 117.2863 H 172 LEU172 0.0232 2574 HD12 67.8887 84.8224 116.7146 H 172 LEU172 0.0232 2575 HD13 69.3399 85.8151 116.6312 H 172 LEU172 0.0232 2576 CD2 67.6378 84.8445 119.5149 C.3 172 LEU172 -0.0626 2577 HD21 66.9968 85.7244 119.5706 H 172 LEU172 0.0232 2578 HD22 67.9172 84.5841 120.5336 H 172 LEU172 0.0232 2579 HD23 67.0375 84.0291 119.1115 H 172 LEU172 0.0232 2580 N 71.1580 81.0820 117.8040 N.am 173 SER173 -0.2436 2581 H 71.3030 81.1420 118.8120 H 173 SER173 0.1312 2582 CA 72.0080 80.1940 117.0180 C.3 173 SER173 0.1109 2583 HA 72.3986 80.8120 116.2072 H 173 SER173 0.0580 2584 C 71.2620 79.0520 116.3520 C.2 173 SER173 0.2210 2585 O 71.4050 78.8330 115.1570 O.2 173 SER173 -0.2777 2586 CB 73.2072 79.7457 117.8663 C.3 173 SER173 0.0681 2587 HB1 73.6606 80.6399 118.3102 H 173 SER173 0.0577 2588 HB2 73.9634 79.2986 117.2156 H 173 SER173 0.0577 2589 OG 72.8340 78.8286 118.8877 O.3 173 SER173 -0.3930 2590 HG 73.5806 78.6147 119.4419 H 173 SER173 0.2095 2591 N 70.3660 78.3300 117.0490 N.am 174 SER174 -0.2435 2592 H 70.2640 78.5060 118.0480 H 174 SER174 0.1312 2593 CA 69.5320 77.3020 116.4270 C.3 174 SER174 0.1109 2594 HA 70.2061 76.5767 115.9793 H 174 SER174 0.0580 2595 C 68.6350 77.8450 115.3170 C.2 174 SER174 0.2210 2596 O 68.4960 77.2450 114.2510 O.2 174 SER174 -0.2777 2597 CB 68.6863 76.6386 117.5222 C.3 174 SER174 0.0681 2598 HB1 67.9227 75.9977 117.0782 H 174 SER174 0.0577 2599 HB2 68.1754 77.4181 118.1031 H 174 SER174 0.0577 2600 OG 69.5251 75.8296 118.3370 O.3 174 SER174 -0.3930 2601 HG 69.1315 75.6579 119.1898 H 174 SER174 0.2095 2602 N 68.0010 79.0140 115.5380 N.am 175 SER175 -0.2435 2603 H 68.1240 79.4710 116.4410 H 175 SER175 0.1312 2604 CA 67.1470 79.6550 114.5430 C.3 175 SER175 0.1109 2605 HA 66.3971 78.9194 114.2571 H 175 SER175 0.0580 2606 C 67.8580 80.1070 113.2820 C.2 175 SER175 0.2209 2607 O 67.4900 79.7100 112.1760 O.2 175 SER175 -0.2777 2608 CB 66.4501 80.8504 115.2098 C.3 175 SER175 0.0681 2609 HB1 67.1935 81.6114 115.4771 H 175 SER175 0.0577 2610 HB2 65.9802 80.5112 116.1385 H 175 SER175 0.0577 2611 OG 65.4549 81.3894 114.3481 O.3 175 SER175 -0.3930 2612 HG 65.0595 82.1744 114.7189 H 175 SER175 0.2095 2613 N 68.9360 80.9050 113.4340 N.am 176 VAL176 -0.2453 2614 H 69.2260 81.1570 114.3790 H 176 VAL176 0.1312 2615 CA 69.7020 81.4210 112.3130 C.3 176 VAL176 0.0901 2616 HA 68.9879 81.8270 111.5938 H 176 VAL176 0.0560 2617 C 70.4610 80.3090 111.6220 C.2 176 VAL176 0.2190 2618 O 70.3800 80.1830 110.4140 O.2 176 VAL176 -0.2778 2619 CB 70.6437 82.5425 112.8045 C.3 176 VAL176 -0.0227 2620 HB 71.2837 82.1322 113.5876 H 176 VAL176 0.0315 2621 CG1 71.5575 83.0716 111.6848 C.3 176 VAL176 -0.0608 2622 HG11 72.1660 83.9056 112.0339 H 176 VAL176 0.0233 2623 HG12 70.9738 83.4217 110.8327 H 176 VAL176 0.0233 2624 HG13 72.2413 82.3036 111.3215 H 176 VAL176 0.0233 2625 CG2 69.8472 83.7082 113.4140 C.3 176 VAL176 -0.0608 2626 HG21 70.5169 84.4794 113.7948 H 176 VAL176 0.0233 2627 HG22 69.2167 83.3885 114.2428 H 176 VAL176 0.0233 2628 HG23 69.2003 84.1691 112.6671 H 176 VAL176 0.0233 2629 N 71.1300 79.4080 112.3710 N.am 177 SER177 -0.2436 2630 H 71.0430 79.4580 113.3860 H 177 SER177 0.1312 2631 CA 71.9710 78.3670 111.7960 C.3 177 SER177 0.1109 2632 HA 72.5478 78.8578 111.0093 H 177 SER177 0.0580 2633 C 71.2500 77.2220 111.1210 C.2 177 SER177 0.2209 2634 O 71.7990 76.6290 110.2030 O.2 177 SER177 -0.2777 2635 CB 72.9467 77.8118 112.8471 C.3 177 SER177 0.0681 2636 HB1 73.6465 77.0955 112.3996 H 177 SER177 0.0577 2637 HB2 72.3942 77.2504 113.6015 H 177 SER177 0.0577 2638 OG 73.6649 78.8338 113.5214 O.3 177 SER177 -0.3930 2639 HG 74.2106 79.3073 112.9014 H 177 SER177 0.2095 2640 N 70.0500 76.8030 111.5810 N.am 178 PHE178 -0.2453 2641 H 69.5680 77.3350 112.3060 H 178 PHE178 0.1312 2642 CA 69.4410 75.5870 111.0410 C.3 178 PHE178 0.0917 2643 HA 69.9377 75.3221 110.1078 H 178 PHE178 0.0560 2644 C 67.9860 75.7480 110.6500 C.2 178 PHE178 0.2190 2645 O 67.6030 75.3690 109.5460 O.2 178 PHE178 -0.2778 2646 CB 69.6327 74.4477 112.0382 C.3 178 PHE178 -0.0036 2647 HB1 69.2407 74.7290 113.0165 H 178 PHE178 0.0333 2648 HB2 70.7004 74.2861 112.1572 H 178 PHE178 0.0333 2649 CG 68.9871 73.1697 111.5723 C.ar 178 PHE178 -0.0454 2650 CD1 69.5579 72.4096 110.5560 C.ar 178 PHE178 -0.0585 2651 HD1 70.4920 72.7188 110.1087 H 178 PHE178 0.0620 2652 CD2 67.7778 72.7648 112.1225 C.ar 178 PHE178 -0.0585 2653 HD2 67.3183 73.3532 112.9024 H 178 PHE178 0.0620 2654 CE1 68.9220 71.2639 110.0948 C.ar 178 PHE178 -0.0615 2655 HE1 69.3661 70.6808 109.3016 H 178 PHE178 0.0618 2656 CE2 67.1438 71.6219 111.6646 C.ar 178 PHE178 -0.0615 2657 HE2 66.1987 71.3377 112.0965 H 178 PHE178 0.0618 2658 CZ 67.7123 70.8702 110.6469 C.ar 178 PHE178 -0.0617 2659 HZ 67.2138 69.9855 110.2810 H 178 PHE178 0.0618 2660 N 67.1140 76.2910 111.5220 N.am 179 TYR179 -0.2453 2661 H 67.4540 76.6600 112.4100 H 179 TYR179 0.1312 2662 CA 65.6890 76.3580 111.2120 C.3 179 TYR179 0.0917 2663 HA 65.4271 75.3558 110.8687 H 179 TYR179 0.0560 2664 C 65.3180 77.2600 110.0510 C.2 179 TYR179 0.2190 2665 O 64.5470 76.8580 109.1820 O.2 179 TYR179 -0.2778 2666 CB 64.8689 76.6465 112.4769 C.3 179 TYR179 -0.0036 2667 HB1 63.8184 76.7953 112.2229 H 179 TYR179 0.0333 2668 HB2 65.2087 77.5676 112.9491 H 179 TYR179 0.0333 2669 CG 64.9551 75.4892 113.4413 C.ar 179 TYR179 -0.0453 2670 CD1 64.3276 74.2813 113.1418 C.ar 179 TYR179 -0.0561 2671 HD1 63.7523 74.1828 112.2324 H 179 TYR179 0.0621 2672 CD2 65.6961 75.5872 114.6150 C.ar 179 TYR179 -0.0561 2673 HD2 66.1820 76.5161 114.8691 H 179 TYR179 0.0621 2674 CE1 64.4618 73.1846 113.9837 C.ar 179 TYR179 -0.0317 2675 HE1 63.9917 72.2440 113.7372 H 179 TYR179 0.0643 2676 CE2 65.8331 74.4902 115.4566 C.ar 179 TYR179 -0.0317 2677 HE2 66.4243 74.5583 116.3556 H 179 TYR179 0.0643 2678 CZ 65.2226 73.2879 115.1372 C.ar 179 TYR179 0.0726 2679 OH 65.3829 72.1916 115.9562 O.3 179 TYR179 -0.3598 2680 HH 65.9070 72.4244 116.7124 H 179 TYR179 0.2173 2681 N 65.8720 78.4790 109.9520 N.am 180 LEU180 -0.2456 2682 H 66.4640 78.8250 110.7070 H 180 LEU180 0.1312 2683 CA 65.6390 79.3130 108.7830 C.3 180 LEU180 0.0883 2684 HA 64.5582 79.3663 108.6489 H 180 LEU180 0.0557 2685 C 66.1890 78.7330 107.4760 C.2 180 LEU180 0.2214 2686 O 65.4400 78.7240 106.4940 O.2 180 LEU180 -0.2776 2687 CB 66.1703 80.7319 109.0730 C.3 180 LEU180 -0.0266 2688 HB1 66.4807 81.2115 108.1429 H 180 LEU180 0.0287 2689 HB2 67.0692 80.6728 109.6878 H 180 LEU180 0.0287 2690 CG 65.1474 81.6586 109.7600 C.3 180 LEU180 -0.0449 2691 HG 64.3150 81.8032 109.0703 H 180 LEU180 0.0296 2692 CD1 64.5746 81.0760 111.0607 C.3 180 LEU180 -0.0626 2693 HD11 63.8850 81.7772 111.5305 H 180 LEU180 0.0232 2694 HD12 65.3639 80.8641 111.7793 H 180 LEU180 0.0232 2695 HD13 64.0221 80.1540 110.8826 H 180 LEU180 0.0232 2696 CD2 65.7756 83.0325 110.0270 C.3 180 LEU180 -0.0626 2697 HD21 65.0504 83.7204 110.4616 H 180 LEU180 0.0232 2698 HD22 66.1474 83.4805 109.1050 H 180 LEU180 0.0232 2699 HD23 66.6153 82.9505 110.7185 H 180 LEU180 0.0232 2700 N 67.3980 78.1760 107.3800 N.am 181 PRO181 -0.2316 2701 CA 67.8130 77.3810 106.2280 C.3 181 PRO181 0.0907 2702 HA 67.8606 78.0584 105.3743 H 181 PRO181 0.0559 2703 C 66.9220 76.2140 105.9180 C.2 181 PRO181 0.2189 2704 O 66.6580 75.9700 104.7440 O.2 181 PRO181 -0.2778 2705 CB 69.2163 76.9062 106.6481 C.3 181 PRO181 -0.0276 2706 HB1 69.8950 76.7716 105.8082 H 181 PRO181 0.0285 2707 HB2 69.1673 75.9548 107.1811 H 181 PRO181 0.0285 2708 CG 69.7111 77.9672 107.6252 C.3 181 PRO181 -0.0379 2709 HG1 70.1284 78.8084 107.0689 H 181 PRO181 0.0278 2710 HG2 70.4825 77.6115 108.3045 H 181 PRO181 0.0278 2711 CD 68.4548 78.4154 108.3602 C.3 181 PRO181 0.0071 2712 HD1 68.2590 77.8286 109.2483 H 181 PRO181 0.0431 2713 HD2 68.5090 79.4746 108.6093 H 181 PRO181 0.0431 2714 N 66.4300 75.4870 106.9380 N.am 182 LEU182 -0.2456 2715 H 66.7220 75.7170 107.8880 H 182 LEU182 0.1312 2716 CA 65.5050 74.3940 106.7440 C.3 182 LEU182 0.0880 2717 HA 66.0009 73.6947 106.0701 H 182 LEU182 0.0557 2718 C 64.2100 74.8370 106.0890 C.2 182 LEU182 0.2187 2719 O 63.7760 74.2350 105.1120 O.2 182 LEU182 -0.2778 2720 CB 65.2517 73.7309 108.1121 C.3 182 LEU182 -0.0266 2721 HB1 64.7921 74.4625 108.7747 H 182 LEU182 0.0287 2722 HB2 66.2076 73.4777 108.5722 H 182 LEU182 0.0287 2723 CG 64.3694 72.4695 108.0747 C.3 182 LEU182 -0.0449 2724 HG 63.4692 72.6927 107.5036 H 182 LEU182 0.0296 2725 CD1 65.0880 71.2920 107.4046 C.3 182 LEU182 -0.0626 2726 HD11 64.4343 70.4218 107.3422 H 182 LEU182 0.0232 2727 HD12 65.9763 71.0051 107.9679 H 182 LEU182 0.0232 2728 HD13 65.4035 71.5362 106.3921 H 182 LEU182 0.0232 2729 CD2 63.9179 72.0822 109.4887 C.3 182 LEU182 -0.0626 2730 HD21 63.2654 71.2091 109.4676 H 182 LEU182 0.0232 2731 HD22 63.3676 72.8958 109.9619 H 182 LEU182 0.0232 2732 HD23 64.7707 71.8450 110.1230 H 182 LEU182 0.0232 2733 N 63.6000 75.9540 106.5430 N.am 183 LEU183 -0.2456 2734 H 63.9810 76.4320 107.3600 H 183 LEU183 0.1312 2735 CA 62.4130 76.4920 105.8950 C.3 183 LEU183 0.0880 2736 HA 61.6591 75.7052 105.9153 H 183 LEU183 0.0557 2737 C 62.6400 76.8640 104.4360 C.2 183 LEU183 0.2187 2738 O 61.8940 76.4340 103.5570 O.2 183 LEU183 -0.2778 2739 CB 61.9394 77.7247 106.6869 C.3 183 LEU183 -0.0266 2740 HB1 61.1419 78.2383 106.1474 H 183 LEU183 0.0287 2741 HB2 62.7664 78.4345 106.7478 H 183 LEU183 0.0287 2742 CG 61.4459 77.4015 108.1104 C.3 183 LEU183 -0.0449 2743 HG 62.1771 76.7629 108.6039 H 183 LEU183 0.0296 2744 CD1 61.3286 78.6817 108.9475 C.3 183 LEU183 -0.0626 2745 HD11 61.0070 78.4572 109.9647 H 183 LEU183 0.0232 2746 HD12 60.6063 79.3727 108.5125 H 183 LEU183 0.0232 2747 HD13 62.2865 79.1974 109.0137 H 183 LEU183 0.0232 2748 CD2 60.1091 76.6476 108.0928 C.3 183 LEU183 -0.0626 2749 HD21 59.7632 76.4453 109.1067 H 183 LEU183 0.0232 2750 HD22 60.1953 75.6883 107.5836 H 183 LEU183 0.0232 2751 HD23 59.3364 77.2276 107.5877 H 183 LEU183 0.0232 2752 N 63.7110 77.6330 104.1410 N.am 184 VAL184 -0.2454 2753 H 64.3390 77.9060 104.8970 H 184 VAL184 0.1312 2754 CA 64.0070 78.0880 102.7910 C.3 184 VAL184 0.0901 2755 HA 63.1036 78.5605 102.4162 H 184 VAL184 0.0560 2756 C 64.3240 76.9370 101.8570 C.2 184 VAL184 0.2189 2757 O 63.7420 76.8120 100.7820 O.2 184 VAL184 -0.2778 2758 CB 65.1503 79.1246 102.8333 C.3 184 VAL184 -0.0227 2759 HB 66.0049 78.6642 103.3324 H 184 VAL184 0.0315 2760 CG1 65.6029 79.5643 101.4280 C.3 184 VAL184 -0.0608 2761 HG11 66.3723 80.3344 101.4888 H 184 VAL184 0.0233 2762 HG12 64.7694 79.9706 100.8548 H 184 VAL184 0.0233 2763 HG13 66.0276 78.7358 100.8605 H 184 VAL184 0.0233 2764 CG2 64.7462 80.3599 103.6531 C.3 184 VAL184 -0.0608 2765 HG21 65.5731 81.0671 103.7231 H 184 VAL184 0.0233 2766 HG22 64.4579 80.1002 104.6707 H 184 VAL184 0.0233 2767 HG23 63.9038 80.8770 103.1936 H 184 VAL184 0.0233 2768 N 65.2000 76.0110 102.2860 N.am 185 MET185 -0.2456 2769 H 65.6200 76.1420 103.2060 H 185 MET185 0.1312 2770 CA 65.5860 74.8390 101.5260 C.3 185 MET185 0.0885 2771 HA 66.0089 75.1932 100.5848 H 185 MET185 0.0557 2772 C 64.4190 73.9140 101.2210 C.2 185 MET185 0.2187 2773 O 64.2450 73.4740 100.0850 O.2 185 MET185 -0.2778 2774 CB 66.6530 74.1065 102.3627 C.3 185 MET185 -0.0199 2775 HB1 66.2338 73.8369 103.3338 H 185 MET185 0.0293 2776 HB2 67.4698 74.7989 102.5711 H 185 MET185 0.0293 2777 CG 67.2367 72.8506 101.7072 C.3 185 MET185 -0.0047 2778 HG1 67.6706 73.0924 100.7389 H 185 MET185 0.0377 2779 HG2 66.4536 72.1136 101.5338 H 185 MET185 0.0377 2780 SD 68.5019 72.1006 102.7506 S.3 185 MET185 -0.1641 2781 CE 68.8308 70.6021 101.8030 C.3 185 MET185 -0.0181 2782 HE1 69.1629 69.8063 102.4692 H 185 MET185 0.0340 2783 HE2 69.6020 70.7832 101.0542 H 185 MET185 0.0340 2784 HE3 67.9248 70.2519 101.3098 H 185 MET185 0.0340 2785 N 63.5420 73.6390 102.2060 N.am 186 LEU186 -0.2456 2786 H 63.7160 74.0140 103.1390 H 186 LEU186 0.1312 2787 CA 62.3570 72.8280 101.9880 C.3 186 LEU186 0.0880 2788 HA 62.7016 71.9209 101.4877 H 186 LEU186 0.0557 2789 C 61.3400 73.4410 101.0330 C.2 186 LEU186 0.2187 2790 O 60.8540 72.7620 100.1310 O.2 186 LEU186 -0.2778 2791 CB 61.7443 72.4289 103.3414 C.3 186 LEU186 -0.0266 2792 HB1 60.6752 72.2428 103.2278 H 186 LEU186 0.0287 2793 HB2 61.8173 73.2664 104.0348 H 186 LEU186 0.0287 2794 CG 62.3681 71.1530 103.9516 C.3 186 LEU186 -0.0449 2795 HG 62.0552 70.3097 103.3342 H 186 LEU186 0.0296 2796 CD1 63.9065 71.1437 103.9593 C.3 186 LEU186 -0.0626 2797 HD11 64.2877 70.2486 104.4516 H 186 LEU186 0.0232 2798 HD12 64.3123 72.0044 104.4847 H 186 LEU186 0.0232 2799 HD13 64.3166 71.1470 102.9496 H 186 LEU186 0.0232 2800 CD2 61.8208 70.9145 105.3637 C.3 186 LEU186 -0.0626 2801 HD21 62.2271 70.0000 105.7965 H 186 LEU186 0.0232 2802 HD22 60.7345 70.8234 105.3533 H 186 LEU186 0.0232 2803 HD23 62.0779 71.7408 106.0253 H 186 LEU186 0.0232 2804 N 60.9830 74.7420 101.1510 N.am 187 PHE187 -0.2453 2805 H 61.4200 75.3330 101.8580 H 187 PHE187 0.1312 2806 CA 59.9690 75.2920 100.2600 C.3 187 PHE187 0.0917 2807 HA 59.2164 74.5078 100.1536 H 187 PHE187 0.0560 2808 C 60.4800 75.5410 98.8500 C.2 187 PHE187 0.2190 2809 O 59.7170 75.5220 97.8780 O.2 187 PHE187 -0.2778 2810 CB 59.2144 76.4798 100.8982 C.3 187 PHE187 -0.0036 2811 HB1 58.8276 76.1373 101.8592 H 187 PHE187 0.0333 2812 HB2 58.3284 76.7052 100.3086 H 187 PHE187 0.0333 2813 CG 59.9693 77.7741 101.1258 C.ar 187 PHE187 -0.0454 2814 CD1 59.9531 78.3538 102.3933 C.ar 187 PHE187 -0.0585 2815 HD1 59.4872 77.8380 103.2208 H 187 PHE187 0.0620 2816 CD2 60.5672 78.4881 100.0861 C.ar 187 PHE187 -0.0585 2817 HD2 60.5806 78.1112 99.0777 H 187 PHE187 0.0620 2818 CE1 60.5382 79.5913 102.6256 C.ar 187 PHE187 -0.0615 2819 HE1 60.5324 80.0129 103.6206 H 187 PHE187 0.0618 2820 CE2 61.1653 79.7203 100.3163 C.ar 187 PHE187 -0.0615 2821 HE2 61.6465 80.2494 99.5064 H 187 PHE187 0.0618 2822 CZ 61.1464 80.2772 101.5856 C.ar 187 PHE187 -0.0617 2823 HZ 61.6174 81.2322 101.7692 H 187 PHE187 0.0618 2824 N 61.7980 75.7710 98.7130 N.am 188 VAL188 -0.2454 2825 H 62.3470 75.9310 99.5580 H 188 VAL188 0.1312 2826 CA 62.4840 75.8050 97.4390 C.3 188 VAL188 0.0901 2827 HA 61.9643 76.5104 96.7897 H 188 VAL188 0.0560 2828 C 62.4640 74.4470 96.7730 C.2 188 VAL188 0.2189 2829 O 62.0460 74.3080 95.6220 O.2 188 VAL188 -0.2778 2830 CB 63.9340 76.2643 97.7125 C.3 188 VAL188 -0.0227 2831 HB 64.2514 75.8416 98.6658 H 188 VAL188 0.0315 2832 CG1 64.9552 75.7456 96.6935 C.3 188 VAL188 -0.0608 2833 HG11 65.8494 76.3593 96.7217 H 188 VAL188 0.0233 2834 HG12 64.5503 75.7509 95.6841 H 188 VAL188 0.0233 2835 HG13 65.2537 74.7200 96.9135 H 188 VAL188 0.0233 2836 CG2 64.0108 77.7932 97.8370 C.3 188 VAL188 -0.0608 2837 HG21 65.0134 78.1093 98.1268 H 188 VAL188 0.0233 2838 HG22 63.3205 78.1665 98.5932 H 188 VAL188 0.0233 2839 HG23 63.7685 78.2783 96.8912 H 188 VAL188 0.0233 2840 N 62.8470 73.3820 97.5030 N.am 189 TYR189 -0.2453 2841 H 63.1100 73.5160 98.4790 H 189 TYR189 0.1312 2842 CA 62.8940 72.0550 96.9340 C.3 189 TYR189 0.0917 2843 HA 63.2945 72.1871 95.9327 H 189 TYR189 0.0560 2844 C 61.5350 71.4500 96.6830 C.2 189 TYR189 0.2190 2845 O 61.3680 70.6880 95.7370 O.2 189 TYR189 -0.2778 2846 CB 63.8231 71.1140 97.7212 C.3 189 TYR189 -0.0036 2847 HB1 63.6438 70.0812 97.4215 H 189 TYR189 0.0333 2848 HB2 63.5887 71.1717 98.7852 H 189 TYR189 0.0333 2849 CG 65.2968 71.3760 97.4926 C.ar 189 TYR189 -0.0453 2850 CD1 65.8205 71.5325 96.2074 C.ar 189 TYR189 -0.0561 2851 HD1 65.1815 71.4987 95.3383 H 189 TYR189 0.0621 2852 CD2 66.1810 71.3605 98.5668 C.ar 189 TYR189 -0.0561 2853 HD2 65.8027 71.2121 99.5674 H 189 TYR189 0.0621 2854 CE1 67.1857 71.6834 96.0050 C.ar 189 TYR189 -0.0317 2855 HE1 67.5771 71.7957 95.0058 H 189 TYR189 0.0643 2856 CE2 67.5485 71.5060 98.3649 C.ar 189 TYR189 -0.0317 2857 HE2 68.2283 71.4791 99.2018 H 189 TYR189 0.0643 2858 CZ 68.0529 71.6653 97.0839 C.ar 189 TYR189 0.0726 2859 OH 69.4134 71.7791 96.8779 O.3 189 TYR189 -0.3598 2860 HH 69.8481 71.9156 97.7119 H 189 TYR189 0.2173 2861 N 60.5050 71.8300 97.4560 N.am 190 ALA190 -0.2459 2862 H 60.6950 72.3740 98.2980 H 190 ALA190 0.1312 2863 CA 59.1350 71.4940 97.1350 C.3 190 ALA190 0.0850 2864 HA 59.0757 70.4044 97.1080 H 190 ALA190 0.0554 2865 C 58.6930 72.0280 95.7740 C.2 190 ALA190 0.2184 2866 O 58.1530 71.3020 94.9470 O.2 190 ALA190 -0.2778 2867 CB 58.2301 72.0422 98.2440 C.3 190 ALA190 -0.0411 2868 HB1 57.1865 71.7751 98.0739 H 190 ALA190 0.0249 2869 HB2 58.2961 73.1285 98.3105 H 190 ALA190 0.0249 2870 HB3 58.5203 71.6357 99.2131 H 190 ALA190 0.0249 2871 N 58.9890 73.3040 95.4670 N.am 191 ARG191 -0.2457 2872 H 59.4160 73.8950 96.1810 H 191 ARG191 0.1312 2873 CA 58.7230 73.8710 94.1570 C.3 191 ARG191 0.0879 2874 HA 57.6695 73.6859 93.9398 H 191 ARG191 0.0557 2875 C 59.5330 73.2300 93.0350 C.2 191 ARG191 0.2187 2876 O 58.9940 72.9110 91.9770 O.2 191 ARG191 -0.2778 2877 CB 58.9916 75.3788 94.2145 C.3 191 ARG191 -0.0258 2878 HB1 58.9680 75.7954 93.2059 H 191 ARG191 0.0286 2879 HB2 59.9998 75.5388 94.5980 H 191 ARG191 0.0286 2880 CG 57.9808 76.1440 95.0827 C.3 191 ARG191 -0.0154 2881 HG1 57.9664 75.7343 96.0918 H 191 ARG191 0.0299 2882 HG2 56.9780 75.9982 94.6800 H 191 ARG191 0.0299 2883 CD 58.2992 77.6446 95.1285 C.3 191 ARG191 0.1045 2884 HD1 58.3130 78.0568 94.1170 H 191 ARG191 0.0711 2885 HD2 59.2802 77.8434 95.5678 H 191 ARG191 0.0711 2886 NE 57.2815 78.3958 95.8654 N.pl3 191 ARG191 -0.4450 2887 HE 56.5749 78.8743 95.3465 H 191 ARG191 0.3153 2888 CZ 57.2461 78.4991 97.1898 C.cat 191 ARG191 0.5062 2889 NH1 58.0970 77.8597 97.9429 N.pl3 191 ARG191 -0.4573 2890 HH11 58.1025 77.9934 98.9305 H 191 ARG191 0.3114 2891 HH12 58.7510 77.2264 97.5283 H 191 ARG191 0.3114 2892 NH2 56.3434 79.2567 97.7517 N.pl3 191 ARG191 -0.4573 2893 HH21 56.3056 79.3405 98.7448 H 191 ARG191 0.3114 2894 HH22 55.6885 79.7551 97.1885 H 191 ARG191 0.3114 2895 N 60.8390 72.9740 93.2500 N.am 192 VAL192 -0.2454 2896 H 61.2600 73.2920 94.1230 H 192 VAL192 0.1312 2897 CA 61.6770 72.2630 92.2900 C.3 192 VAL192 0.0901 2898 HA 61.6280 72.8265 91.3606 H 192 VAL192 0.0560 2899 C 61.1790 70.8420 92.0180 C.2 192 VAL192 0.2189 2900 O 61.1540 70.3830 90.8780 O.2 192 VAL192 -0.2778 2901 CB 63.1478 72.2601 92.7708 C.3 192 VAL192 -0.0227 2902 HB 63.1713 71.8232 93.7686 H 192 VAL192 0.0315 2903 CG1 64.0726 71.4158 91.8758 C.3 192 VAL192 -0.0608 2904 HG11 65.1043 71.4669 92.2247 H 192 VAL192 0.0233 2905 HG12 64.0529 71.7719 90.8452 H 192 VAL192 0.0233 2906 HG13 63.7890 70.3638 91.8717 H 192 VAL192 0.0233 2907 CG2 63.7134 73.6869 92.8567 C.3 192 VAL192 -0.0608 2908 HG21 64.7244 73.6865 93.2656 H 192 VAL192 0.0233 2909 HG22 63.1077 74.3251 93.4928 H 192 VAL192 0.0233 2910 HG23 63.7558 74.1526 91.8713 H 192 VAL192 0.0233 2911 N 60.6990 70.1200 93.0480 N.am 193 PHE193 -0.2453 2912 H 60.8050 70.4910 93.9920 H 193 PHE193 0.1312 2913 CA 60.0370 68.8360 92.8780 C.3 193 PHE193 0.0917 2914 HA 60.7510 68.1896 92.3661 H 193 PHE193 0.0560 2915 C 58.7650 68.8850 92.0340 C.2 193 PHE193 0.2190 2916 O 58.5650 68.0500 91.1500 O.2 193 PHE193 -0.2778 2917 CB 59.7300 68.2751 94.2772 C.3 193 PHE193 -0.0036 2918 HB1 59.0831 68.9632 94.8217 H 193 PHE193 0.0333 2919 HB2 60.6463 68.2120 94.8619 H 193 PHE193 0.0333 2920 CG 59.0950 66.9081 94.2459 C.ar 193 PHE193 -0.0454 2921 CD1 59.8105 65.8016 93.7977 C.ar 193 PHE193 -0.0585 2922 HD1 60.8243 65.9129 93.4464 H 193 PHE193 0.0620 2923 CD2 57.7815 66.7333 94.6722 C.ar 193 PHE193 -0.0585 2924 HD2 57.2074 67.5819 95.0158 H 193 PHE193 0.0620 2925 CE1 59.2295 64.5418 93.7904 C.ar 193 PHE193 -0.0615 2926 HE1 59.7942 63.6945 93.4365 H 193 PHE193 0.0618 2927 CE2 57.1985 65.4730 94.6671 C.ar 193 PHE193 -0.0615 2928 HE2 56.1807 65.3490 95.0071 H 193 PHE193 0.0618 2929 CZ 57.9250 64.3740 94.2320 C.ar 193 PHE193 -0.0617 2930 HZ 57.4738 63.3927 94.2304 H 193 PHE193 0.0618 2931 N 57.8800 69.8750 92.2800 N.am 194 VAL194 -0.2454 2932 H 58.0880 70.5290 93.0340 H 194 VAL194 0.1312 2933 CA 56.6430 70.0620 91.5280 C.3 194 VAL194 0.0901 2934 HA 56.0951 69.1216 91.5983 H 194 VAL194 0.0560 2935 C 56.9100 70.3090 90.0520 C.2 194 VAL194 0.2189 2936 O 56.2990 69.7050 89.1710 O.2 194 VAL194 -0.2778 2937 CB 55.8191 71.1923 92.1840 C.3 194 VAL194 -0.0227 2938 HB 56.4838 72.0428 92.3425 H 194 VAL194 0.0315 2939 CG1 54.6453 71.6753 91.3139 C.3 194 VAL194 -0.0608 2940 HG11 54.0558 72.4276 91.8386 H 194 VAL194 0.0233 2941 HG12 53.9801 70.8493 91.0607 H 194 VAL194 0.0233 2942 HG13 54.9895 72.1284 90.3843 H 194 VAL194 0.0233 2943 CG2 55.2855 70.7472 93.5547 C.3 194 VAL194 -0.0608 2944 HG21 54.8083 71.5756 94.0783 H 194 VAL194 0.0233 2945 HG22 56.0743 70.3618 94.1979 H 194 VAL194 0.0233 2946 HG23 54.5459 69.9537 93.4453 H 194 VAL194 0.0233 2947 N 57.8680 71.1940 89.7150 N.am 195 VAL195 -0.2454 2948 H 58.3750 71.6900 90.4480 H 195 VAL195 0.1312 2949 CA 58.1890 71.4510 88.3220 C.3 195 VAL195 0.0901 2950 HA 57.2311 71.5676 87.8130 H 195 VAL195 0.0560 2951 C 58.8700 70.2710 87.6510 C.2 195 VAL195 0.2189 2952 O 58.5570 69.9420 86.5080 O.2 195 VAL195 -0.2778 2953 CB 58.9574 72.7756 88.1524 C.3 195 VAL195 -0.0227 2954 HB 59.1344 72.9322 87.0873 H 195 VAL195 0.0315 2955 CG1 58.1203 73.9637 88.6498 C.3 195 VAL195 -0.0608 2956 HG11 58.6300 74.9081 88.4564 H 195 VAL195 0.0233 2957 HG12 57.9409 73.9028 89.7238 H 195 VAL195 0.0233 2958 HG13 57.1518 74.0001 88.1520 H 195 VAL195 0.0233 2959 CG2 60.3191 72.7578 88.8475 C.3 195 VAL195 -0.0608 2960 HG21 60.7787 73.7444 88.8337 H 195 VAL195 0.0233 2961 HG22 61.0092 72.0545 88.3814 H 195 VAL195 0.0233 2962 HG23 60.1980 72.4695 89.8850 H 195 VAL195 0.0233 2963 N 59.7840 69.5710 88.3500 N.am 196 ALA196 -0.2459 2964 H 60.0200 69.8800 89.2930 H 196 ALA196 0.1312 2965 CA 60.4430 68.4020 87.8190 C.3 196 ALA196 0.0850 2966 HA 60.8957 68.7006 86.8722 H 196 ALA196 0.0554 2967 C 59.5190 67.2230 87.5450 C.2 196 ALA196 0.2185 2968 O 59.5670 66.6250 86.4730 O.2 196 ALA196 -0.2778 2969 CB 61.5426 67.9916 88.8043 C.3 196 ALA196 -0.0411 2970 HB1 62.1315 67.1624 88.4138 H 196 ALA196 0.0249 2971 HB2 61.1251 67.6933 89.7673 H 196 ALA196 0.0249 2972 HB3 62.2269 68.8205 88.9867 H 196 ALA196 0.0249 2973 N 58.5990 66.8890 88.4750 N.am 197 THR197 -0.2434 2974 H 58.6160 67.3630 89.3780 H 197 THR197 0.1313 2975 CA 57.5790 65.8710 88.2320 C.3 197 THR197 0.1135 2976 HA 58.1086 64.9968 87.8534 H 197 THR197 0.0583 2977 C 56.5600 66.2720 87.1820 C.2 197 THR197 0.2212 2978 O 56.0570 65.4310 86.4360 O.2 197 THR197 -0.2777 2979 CB 56.8778 65.4855 89.5469 C.3 197 THR197 0.0763 2980 HB 56.1400 64.7100 89.3173 H 197 THR197 0.0611 2981 OG1 56.1856 66.6158 90.0519 O.3 197 THR197 -0.3900 2982 HG1 55.9145 66.4669 90.9522 H 197 THR197 0.2098 2983 CG2 57.8777 64.8960 90.5585 C.3 197 THR197 -0.0370 2984 HG21 57.3694 64.4932 91.4339 H 197 THR197 0.0255 2985 HG22 58.5991 65.6362 90.9007 H 197 THR197 0.0255 2986 HG23 58.4404 64.0758 90.1130 H 197 THR197 0.0255 2987 N 56.2150 67.5700 87.0600 N.am 198 ARG198 -0.2456 2988 H 56.5190 68.2380 87.7690 H 198 ARG198 0.1312 2989 CA 55.4200 68.0340 85.9390 C.3 198 ARG198 0.0879 2990 HA 54.4845 67.4789 85.9550 H 198 ARG198 0.0557 2991 C 56.0960 67.8650 84.5890 C.2 198 ARG198 0.2187 2992 O 55.5130 67.2900 83.6760 O.2 198 ARG198 -0.2778 2993 CB 55.1395 69.5273 86.1843 C.3 198 ARG198 -0.0258 2994 HB1 56.0875 70.0630 86.2252 H 198 ARG198 0.0286 2995 HB2 54.6971 69.6460 87.1739 H 198 ARG198 0.0286 2996 CG 54.2109 70.1892 85.1504 C.3 198 ARG198 -0.0154 2997 HG1 53.2100 69.7682 85.2481 H 198 ARG198 0.0299 2998 HG2 54.5368 69.9653 84.1340 H 198 ARG198 0.0299 2999 CD 54.1521 71.7124 85.3229 C.3 198 ARG198 0.1045 3000 HD1 53.9452 71.9740 86.3638 H 198 ARG198 0.0711 3001 HD2 53.3771 72.1477 84.6869 H 198 ARG198 0.0711 3002 NE 55.4327 72.2903 84.9135 N.pl3 198 ARG198 -0.4450 3003 HE 56.0584 71.7463 84.3511 H 198 ARG198 0.3153 3004 CZ 55.8597 73.5107 85.2160 C.cat 198 ARG198 0.5062 3005 NH1 55.1422 74.3252 85.9428 N.pl3 198 ARG198 -0.4573 3006 HH11 55.4786 75.2383 86.1579 H 198 ARG198 0.3114 3007 HH12 54.2530 74.0282 86.2792 H 198 ARG198 0.3114 3008 NH2 57.0226 73.8990 84.7715 N.pl3 198 ARG198 -0.4573 3009 HH21 57.3889 74.7985 84.9940 H 198 ARG198 0.3114 3010 HH22 57.5473 73.2745 84.1912 H 198 ARG198 0.3114 3011 N 57.3590 68.3060 84.4370 N.am 199 GLN199 -0.2456 3012 H 57.8180 68.7460 85.2340 H 199 GLN199 0.1312 3013 CA 58.1030 68.1850 83.1890 C.3 199 GLN199 0.0882 3014 HA 57.4915 68.6480 82.4146 H 199 GLN199 0.0557 3015 C 58.2660 66.7330 82.7890 C.2 199 GLN199 0.2187 3016 O 58.0490 66.3390 81.6460 O.2 199 GLN199 -0.2778 3017 CB 59.4906 68.8564 83.2611 C.3 199 GLN199 -0.0210 3018 HB1 60.0331 68.6339 82.3401 H 199 GLN199 0.0289 3019 HB2 60.0757 68.4046 84.0640 H 199 GLN199 0.0289 3020 CG 59.4929 70.3856 83.4435 C.3 199 GLN199 0.0225 3021 HG1 60.4860 70.7841 83.2353 H 199 GLN199 0.0356 3022 HG2 59.2710 70.6568 84.4690 H 199 GLN199 0.0356 3023 CD 58.4793 71.1118 82.5518 C.2 199 GLN199 0.1981 3024 OE1 57.5654 71.7693 83.0338 O.2 199 GLN199 -0.2798 3025 NE2 58.6914 70.9558 81.2377 N.am 199 GLN199 -0.2724 3026 HE21 58.0810 71.3863 80.5730 H 199 GLN199 0.1266 3027 HE22 59.4552 70.4087 80.8951 H 199 GLN199 0.1266 3028 N 58.5550 65.8870 83.7900 N.am 200 LEU200 -0.2456 3029 H 58.7510 66.2860 84.7080 H 200 LEU200 0.1312 3030 CA 58.6070 64.4530 83.6560 C.3 200 LEU200 0.0880 3031 HA 59.4260 64.2333 82.9701 H 200 LEU200 0.0557 3032 C 57.3340 63.8050 83.1220 C.2 200 LEU200 0.2187 3033 O 57.3730 62.9810 82.2060 O.2 200 LEU200 -0.2778 3034 CB 58.9097 63.9318 85.0726 C.3 200 LEU200 -0.0266 3035 HB1 58.1074 64.2412 85.7390 H 200 LEU200 0.0287 3036 HB2 59.8090 64.4240 85.4430 H 200 LEU200 0.0287 3037 CG 59.1063 62.4182 85.2083 C.3 200 LEU200 -0.0449 3038 HG 58.2342 61.8988 84.8105 H 200 LEU200 0.0296 3039 CD1 60.3373 61.9723 84.4253 C.3 200 LEU200 -0.0626 3040 HD11 60.5530 60.9355 84.6537 H 200 LEU200 0.0232 3041 HD12 61.2172 62.5551 84.6987 H 200 LEU200 0.0232 3042 HD13 60.1900 62.0620 83.3491 H 200 LEU200 0.0232 3043 CD2 59.2419 62.0251 86.6865 C.3 200 LEU200 -0.0626 3044 HD21 59.3710 60.9480 86.7984 H 200 LEU200 0.0232 3045 HD22 58.3564 62.3145 87.2530 H 200 LEU200 0.0232 3046 HD23 60.1036 62.5114 87.1449 H 200 LEU200 0.0232 3047 N 56.1520 64.1360 83.6840 N.am 201 ARG201 -0.2457 3048 H 56.1310 64.8240 84.4370 H 201 ARG201 0.1312 3049 CA 54.9140 63.5340 83.2380 C.3 201 ARG201 0.0879 3050 HA 55.1141 62.4672 83.1791 H 201 ARG201 0.0557 3051 C 54.4900 63.9520 81.8480 C.2 201 ARG201 0.2187 3052 O 53.9540 63.1420 81.0930 O.2 201 ARG201 -0.2778 3053 CB 53.7916 63.6951 84.2788 C.3 201 ARG201 -0.0258 3054 HB1 54.1325 63.2492 85.2140 H 201 ARG201 0.0286 3055 HB2 52.9229 63.1136 83.9676 H 201 ARG201 0.0286 3056 CG 53.3717 65.1437 84.5483 C.3 201 ARG201 -0.0154 3057 HG1 52.9626 65.6049 83.6488 H 201 ARG201 0.0299 3058 HG2 54.2659 65.6973 84.7998 H 201 ARG201 0.0299 3059 CD 52.3893 65.2840 85.7175 C.3 201 ARG201 0.1045 3060 HD1 52.2495 66.3375 85.9724 H 201 ARG201 0.0711 3061 HD2 52.7721 64.7618 86.5986 H 201 ARG201 0.0711 3062 NE 51.0803 64.7376 85.3528 N.pl3 201 ARG201 -0.4450 3063 HE 50.9111 64.5059 84.3949 H 201 ARG201 0.3153 3064 CZ 50.0896 64.5381 86.2207 C.cat 201 ARG201 0.5062 3065 NH1 48.9493 64.0645 85.7948 N.pl3 201 ARG201 -0.4573 3066 HH11 48.2006 63.9045 86.4349 H 201 ARG201 0.3114 3067 HH12 48.8189 63.8616 84.8267 H 201 ARG201 0.3114 3068 NH2 50.2333 64.8072 87.4923 N.pl3 201 ARG201 -0.4573 3069 HH21 49.4831 64.6540 88.1319 H 201 ARG201 0.3114 3070 HH22 51.1006 65.1684 87.8248 H 201 ARG201 0.3114 3071 N 54.7710 65.2160 81.4670 N.am 202 LEU202 -0.2456 3072 H 55.1160 65.8790 82.1620 H 202 LEU202 0.1312 3073 CA 54.5960 65.6580 80.0960 C.3 202 LEU202 0.0880 3074 HA 53.5616 65.4597 79.8136 H 202 LEU202 0.0557 3075 C 55.4940 64.8820 79.1380 C.2 202 LEU202 0.2187 3076 O 55.0300 64.2380 78.2010 O.2 202 LEU202 -0.2778 3077 CB 54.9056 67.1654 80.0276 C.3 202 LEU202 -0.0266 3078 HB1 54.8816 67.5054 78.9907 H 202 LEU202 0.0287 3079 HB2 55.9280 67.3272 80.3727 H 202 LEU202 0.0287 3080 CG 53.9504 68.0396 80.8652 C.3 202 LEU202 -0.0449 3081 HG 53.8501 67.6086 81.8603 H 202 LEU202 0.0296 3082 CD1 54.5219 69.4523 81.0446 C.3 202 LEU202 -0.0626 3083 HD11 53.8577 70.0715 81.6475 H 202 LEU202 0.0232 3084 HD12 54.6564 69.9455 80.0812 H 202 LEU202 0.0232 3085 HD13 55.4904 69.4240 81.5435 H 202 LEU202 0.0232 3086 CD2 52.5498 68.1011 80.2413 C.3 202 LEU202 -0.0626 3087 HD21 51.8854 68.7349 80.8286 H 202 LEU202 0.0232 3088 HD22 52.0920 67.1141 80.1835 H 202 LEU202 0.0232 3089 HD23 52.5878 68.5081 79.2301 H 202 LEU202 0.0232 3090 N 56.8060 64.8140 79.4380 N.am 203 LEU203 -0.2456 3091 H 57.1210 65.2580 80.3010 H 203 LEU203 0.1312 3092 CA 57.8020 64.1510 78.6140 C.3 203 LEU203 0.0880 3093 HA 57.7229 64.6227 77.6331 H 203 LEU203 0.0557 3094 C 57.5320 62.6580 78.4260 C.2 203 LEU203 0.2187 3095 O 57.5940 62.1350 77.3160 O.2 203 LEU203 -0.2778 3096 CB 59.1883 64.4491 79.2137 C.3 203 LEU203 -0.0266 3097 HB1 59.3591 63.8583 80.1149 H 203 LEU203 0.0287 3098 HB2 59.1688 65.4862 79.5497 H 203 LEU203 0.0287 3099 CG 60.3710 64.3163 78.2320 C.3 203 LEU203 -0.0449 3100 HG 60.0725 64.7353 77.2700 H 203 LEU203 0.0296 3101 CD1 61.5712 65.1329 78.7315 C.3 203 LEU203 -0.0626 3102 HD11 62.4065 65.0718 78.0335 H 203 LEU203 0.0232 3103 HD12 61.9178 64.7711 79.7000 H 203 LEU203 0.0232 3104 HD13 61.3126 66.1863 78.8417 H 203 LEU203 0.0232 3105 CD2 60.7989 62.8615 78.0133 C.3 203 LEU203 -0.0626 3106 HD21 61.6854 62.8029 77.3815 H 203 LEU203 0.0232 3107 HD22 60.0265 62.2684 77.5295 H 203 LEU203 0.0232 3108 HD23 61.0392 62.3993 78.9680 H 203 LEU203 0.0232 3109 N 57.1470 61.9140 79.4910 N.am 204 ARG204 -0.2457 3110 H 57.1280 62.3420 80.4170 H 204 ARG204 0.1312 3111 CA 56.7580 60.5130 79.3430 C.3 204 ARG204 0.0879 3112 HA 57.5750 60.0963 78.7495 H 204 ARG204 0.0557 3113 C 55.5360 60.3090 78.4420 C.2 204 ARG204 0.2185 3114 O 55.4810 59.3600 77.6600 O.2 204 ARG204 -0.2778 3115 CB 56.7858 59.6727 80.6416 C.3 204 ARG204 -0.0258 3116 HB1 57.7611 59.7878 81.1153 H 204 ARG204 0.0286 3117 HB2 56.7288 58.6243 80.3457 H 204 ARG204 0.0286 3118 CG 55.6899 59.9484 81.6824 C.3 204 ARG204 -0.0154 3119 HG1 54.7808 60.2647 81.1703 H 204 ARG204 0.0299 3120 HG2 55.9960 60.7839 82.3060 H 204 ARG204 0.0299 3121 CD 55.3468 58.7223 82.5608 C.3 204 ARG204 0.1045 3122 HD1 55.1508 57.8556 81.9252 H 204 ARG204 0.0711 3123 HD2 54.4429 58.9223 83.1408 H 204 ARG204 0.0711 3124 NE 56.4048 58.3893 83.5292 N.pl3 204 ARG204 -0.4450 3125 HE 57.0967 59.0676 83.7790 H 204 ARG204 0.3153 3126 CZ 56.5289 57.2065 84.1491 C.cat 204 ARG204 0.5062 3127 NH1 57.4666 57.0268 85.0310 N.pl3 204 ARG204 -0.4573 3128 HH11 57.6676 56.1167 85.4174 H 204 ARG204 0.3114 3129 HH12 58.0307 57.7882 85.3395 H 204 ARG204 0.3114 3130 NH2 55.7358 56.2009 83.9028 N.pl3 204 ARG204 -0.4573 3131 HH21 55.8962 55.3489 84.4003 H 204 ARG204 0.3114 3132 HH22 54.9939 56.2818 83.2457 H 204 ARG204 0.3114 3133 N 54.5300 61.2130 78.5120 N.am 205 GLY205 -0.2485 3134 H 54.6220 61.9930 79.1630 H 205 GLY205 0.1309 3135 CA 53.3210 61.1250 77.7010 C.3 205 GLY205 0.0765 3136 HA1 52.6067 61.8379 78.1120 H 205 GLY205 0.0521 3137 HA2 52.9119 60.1184 77.7890 H 205 GLY205 0.0521 3138 C 53.5680 61.4550 76.2630 C.2 205 GLY205 0.2155 3139 O 52.9490 60.9110 75.3540 O.2 205 GLY205 -0.2781 3140 N 54.5150 62.3640 76.0170 N.am 206 GLU206 -0.2459 3141 H 55.0660 62.7160 76.8000 H 206 GLU206 0.1312 3142 CA 54.7950 62.8690 74.7050 C.3 206 GLU206 0.0883 3143 HA 53.8614 62.9132 74.1471 H 206 GLU206 0.0557 3144 C 55.8030 62.0140 73.9640 C.2 206 GLU206 0.2187 3145 O 55.9340 62.1280 72.7460 O.2 206 GLU206 -0.2778 3146 CB 55.4010 64.2820 74.8794 C.3 206 GLU206 -0.0193 3147 HB1 55.8395 64.6323 73.9435 H 206 GLU206 0.0290 3148 HB2 56.2331 64.2182 75.5822 H 206 GLU206 0.0290 3149 CG 54.4214 65.3576 75.3915 C.3 206 GLU206 0.0356 3150 HG1 54.9665 66.2498 75.6966 H 206 GLU206 0.0374 3151 HG2 53.8667 65.0109 76.2613 H 206 GLU206 0.0374 3152 CD 53.4210 65.7772 74.3094 C.2 206 GLU206 0.1760 3153 OE1 53.8273 66.2950 73.2711 O.co2 206 GLU206 -0.6478 3154 OE2 52.2270 65.5749 74.4874 O.co2 206 GLU206 -0.6478 3155 N 56.4860 61.0840 74.6530 N.am 207 LEU207 -0.2456 3156 H 56.3180 61.0130 75.6560 H 207 LEU207 0.1312 3157 CA 57.4520 60.1710 74.0560 C.3 207 LEU207 0.0880 3158 HA 57.8138 60.6204 73.1299 H 207 LEU207 0.0557 3159 C 56.8520 58.8080 73.7250 C.2 207 LEU207 0.2185 3160 O 57.2370 58.1340 72.7690 O.2 207 LEU207 -0.2778 3161 CB 58.6139 60.0595 75.0574 C.3 207 LEU207 -0.0266 3162 HB1 58.2891 59.5622 75.9729 H 207 LEU207 0.0287 3163 HB2 58.8525 61.0802 75.3610 H 207 LEU207 0.0287 3164 CG 59.9125 59.4204 74.5232 C.3 207 LEU207 -0.0449 3165 HG 60.0630 59.7344 73.4896 H 207 LEU207 0.0296 3166 CD1 61.1007 59.9437 75.3335 C.3 207 LEU207 -0.0626 3167 HD11 62.0410 59.5022 75.0025 H 207 LEU207 0.0232 3168 HD12 60.9605 59.7040 76.3850 H 207 LEU207 0.0232 3169 HD13 61.1950 61.0270 75.2501 H 207 LEU207 0.0232 3170 CD2 59.8982 57.8846 74.5756 C.3 207 LEU207 -0.0626 3171 HD21 60.8904 57.4781 74.3788 H 207 LEU207 0.0232 3172 HD22 59.2376 57.4610 73.8259 H 207 LEU207 0.0232 3173 HD23 59.5821 57.5217 75.5542 H 207 LEU207 0.0232 3174 N 55.8390 58.3710 74.4990 N.am 208 GLY208 -0.2485 3175 H 55.4770 59.0070 75.2100 H 208 GLY208 0.1309 3176 CA 55.2230 57.0530 74.3920 C.3 208 GLY208 0.0765 3177 HA1 54.9378 56.7769 75.4043 H 208 GLY208 0.0521 3178 HA2 55.9633 56.3434 74.0429 H 208 GLY208 0.0521 3179 C 54.0320 56.9520 73.4910 C.2 208 GLY208 0.2155 3180 O 53.2080 56.0620 73.6540 O.2 208 GLY208 -0.2781 3181 N 53.9080 57.8520 72.5040 N.am 209 ARG209 -0.2459 3182 H 54.6560 58.5330 72.3700 H 209 ARG209 0.1312 3183 CA 52.7560 57.9020 71.6160 C.3 209 ARG209 0.0879 3184 HA 51.8823 57.5645 72.1779 H 209 ARG209 0.0557 3185 C 52.8720 56.9970 70.4070 C.2 209 ARG209 0.2187 3186 O 51.8970 56.7650 69.7020 O.2 209 ARG209 -0.2778 3187 CB 52.5251 59.3415 71.1336 C.3 209 ARG209 -0.0258 3188 HB1 51.7990 59.3513 70.3180 H 209 ARG209 0.0286 3189 HB2 53.4501 59.7509 70.7259 H 209 ARG209 0.0286 3190 CG 51.9857 60.2354 72.2513 C.3 209 ARG209 -0.0154 3191 HG1 52.7164 60.2951 73.0560 H 209 ARG209 0.0299 3192 HG2 51.0935 59.7763 72.6787 H 209 ARG209 0.0299 3193 CD 51.6333 61.6449 71.7740 C.3 209 ARG209 0.1045 3194 HD1 51.0834 62.1506 72.5730 H 209 ARG209 0.0711 3195 HD2 51.0133 61.6368 70.8750 H 209 ARG209 0.0711 3196 NE 52.8676 62.3721 71.4807 N.pl3 209 ARG209 -0.4450 3197 HE 53.6759 61.9285 71.1065 H 209 ARG209 0.3153 3198 CZ 53.0242 63.6620 71.7479 C.cat 209 ARG209 0.5062 3199 NH1 52.0306 64.4063 72.1237 N.pl3 209 ARG209 -0.4573 3200 HH11 52.2683 65.2913 72.5603 H 209 ARG209 0.3114 3201 HH12 51.0804 64.1422 72.0480 H 209 ARG209 0.3114 3202 NH2 54.2025 64.1992 71.6575 N.pl3 209 ARG209 -0.4573 3203 HH21 54.2591 65.1592 71.9622 H 209 ARG209 0.3114 3204 HH22 55.0084 63.7124 71.3458 H 209 ARG209 0.3114 3205 N 54.0640 56.4300 70.1640 N.am 210 PHE210 -0.2453 3206 H 54.8510 56.6590 70.7710 H 210 PHE210 0.1312 3207 CA 54.2710 55.5030 69.0680 C.3 210 PHE210 0.0920 3208 HA 53.3047 55.1512 68.7012 H 210 PHE210 0.0560 3209 C 55.0200 54.2800 69.5970 C.2 210 PHE210 0.2217 3210 O 56.1990 54.1090 69.2640 O.2 210 PHE210 -0.2776 3211 CB 55.0402 56.2039 67.9340 C.3 210 PHE210 -0.0036 3212 HB1 55.1689 55.5224 67.0919 H 210 PHE210 0.0333 3213 HB2 56.0397 56.4861 68.2653 H 210 PHE210 0.0333 3214 CG 54.3198 57.4353 67.4507 C.ar 210 PHE210 -0.0454 3215 CD1 53.1914 57.3160 66.6451 C.ar 210 PHE210 -0.0585 3216 HD1 52.8379 56.3383 66.3499 H 210 PHE210 0.0620 3217 CD2 54.7406 58.7049 67.8394 C.ar 210 PHE210 -0.0585 3218 HD2 55.6048 58.8182 68.4766 H 210 PHE210 0.0620 3219 CE1 52.4921 58.4443 66.2378 C.ar 210 PHE210 -0.0615 3220 HE1 51.6097 58.3373 65.6236 H 210 PHE210 0.0618 3221 CE2 54.0446 59.8353 67.4311 C.ar 210 PHE210 -0.0615 3222 HE2 54.3756 60.8163 67.7386 H 210 PHE210 0.0618 3223 CZ 52.9184 59.7053 66.6305 C.ar 210 PHE210 -0.0617 3224 HZ 52.3712 60.5821 66.3163 H 210 PHE210 0.0618 3225 N 54.4600 53.4330 70.4700 N.am 211 PRO211 -0.2316 3226 CA 55.1650 52.2600 70.9620 C.3 211 PRO211 0.0909 3227 HA 56.2280 52.4468 71.0488 H 211 PRO211 0.0560 3228 C 54.8500 51.0120 70.1420 C.2 211 PRO211 0.2216 3229 O 53.9730 51.0700 69.2800 O.2 211 PRO211 -0.2776 3230 CB 54.4731 52.0776 72.3198 C.3 211 PRO211 -0.0275 3231 HB1 54.9060 52.7705 73.0359 H 211 PRO211 0.0285 3232 HB2 54.5600 51.0763 72.7444 H 211 PRO211 0.0285 3233 CG 53.0186 52.4716 72.0561 C.3 211 PRO211 -0.0379 3234 HG1 52.4829 52.7643 72.9590 H 211 PRO211 0.0278 3235 HG2 52.4850 51.6281 71.6182 H 211 PRO211 0.0278 3236 CD 53.1163 53.6006 71.0301 C.3 211 PRO211 0.0071 3237 HD1 52.3719 53.5277 70.2352 H 211 PRO211 0.0431 3238 HD2 53.0577 54.5636 71.5315 H 211 PRO211 0.0431 3239 N 55.5430 49.8880 70.3690 N.am 212 PRO212 -0.2316 3240 CA 55.1310 48.5690 69.9040 C.3 212 PRO212 0.0907 3241 HA 55.1841 48.5854 68.8147 H 212 PRO212 0.0559 3242 C 53.7360 48.1700 70.3410 C.2 212 PRO212 0.2189 3243 O 52.9710 47.7300 69.4900 O.2 212 PRO212 -0.2778 3244 CB 56.1886 47.6335 70.5129 C.3 212 PRO212 -0.0276 3245 HB1 56.4211 46.7878 69.8654 H 212 PRO212 0.0285 3246 HB2 55.8546 47.2344 71.4717 H 212 PRO212 0.0285 3247 CG 57.3954 48.5226 70.7849 C.3 212 PRO212 -0.0379 3248 HG1 57.9926 48.6090 69.8764 H 212 PRO212 0.0278 3249 HG2 58.0387 48.1339 71.5745 H 212 PRO212 0.0278 3250 CD 56.7899 49.8804 71.1302 C.3 212 PRO212 0.0071 3251 HD1 56.5327 49.9623 72.1877 H 212 PRO212 0.0431 3252 HD2 57.4366 50.7003 70.8178 H 212 PRO212 0.0431 3253 N 53.3990 48.3240 71.6440 N.am 213 GLU213 -0.2456 3254 H 54.0920 48.7430 72.2640 H 213 GLU213 0.1312 3255 CA 52.1200 47.9360 72.2270 C.3 213 GLU213 0.0883 3256 HA 52.0634 46.8704 72.0363 H 213 GLU213 0.0557 3257 C 50.9340 48.5610 71.5340 C.2 213 GLU213 0.2187 3258 O 50.8190 49.7850 71.5500 O.2 213 GLU213 -0.2778 3259 CB 51.9644 48.0689 73.7551 C.3 213 GLU213 -0.0193 3260 HB1 52.0214 49.1117 74.0688 H 213 GLU213 0.0290 3261 HB2 52.7797 47.5479 74.2537 H 213 GLU213 0.0290 3262 CG 50.6048 47.4488 74.1762 C.3 213 GLU213 0.0356 3263 HG1 50.4391 46.5211 73.6281 H 213 GLU213 0.0374 3264 HG2 49.7816 48.1102 73.9057 H 213 GLU213 0.0374 3265 CD 50.4565 47.1260 75.6647 C.2 213 GLU213 0.1760 3266 OE1 50.2706 48.0403 76.4538 O.co2 213 GLU213 -0.6478 3267 OE2 50.5157 45.9537 76.0295 O.co2 213 GLU213 -0.6478 3268 N 50.1190 47.7160 70.8360 N.am 214 GLU214 -0.2456 3269 H 50.3760 46.7300 70.8760 H 214 GLU214 0.1312 3270 CA 48.9280 48.0230 70.0370 C.3 214 GLU214 0.0883 3271 HA 49.1068 47.5941 69.0516 H 214 GLU214 0.0557 3272 C 48.6230 49.5050 69.8650 C.2 214 GLU214 0.2187 3273 O 47.7000 50.0500 70.4670 O.2 214 GLU214 -0.2778 3274 CB 47.7220 47.3366 70.7048 C.3 214 GLU214 -0.0193 3275 HB1 46.8098 47.5467 70.1441 H 214 GLU214 0.0290 3276 HB2 47.5766 47.7623 71.6996 H 214 GLU214 0.0290 3277 CG 47.8847 45.8147 70.8298 C.3 214 GLU214 0.0356 3278 HG1 48.7829 45.5611 71.3899 H 214 GLU214 0.0374 3279 HG2 47.9795 45.3584 69.8448 H 214 GLU214 0.0374 3280 CD 46.7075 45.1652 71.5694 C.2 214 GLU214 0.1760 3281 OE1 46.2553 44.1098 71.1468 O.co2 214 GLU214 -0.6478 3282 OE2 46.2577 45.6955 72.5807 O.co2 214 GLU214 -0.6478 3283 N 49.4520 50.2030 69.0490 N.am 215 SER215 -0.2436 3284 H 50.0710 49.6870 68.4230 H 215 SER215 0.1312 3285 CA 49.4940 51.6620 69.0300 C.3 215 SER215 0.1111 3286 HA 49.8399 51.9347 70.0216 H 215 SER215 0.0580 3287 C 48.1380 52.2750 68.6940 C.2 215 SER215 0.2236 3288 O 47.5250 51.8070 67.7290 O.2 215 SER215 -0.2775 3289 CB 50.5450 52.1141 68.0087 C.3 215 SER215 0.0681 3290 HB1 50.2097 51.8402 67.0007 H 215 SER215 0.0577 3291 HB2 51.4787 51.5771 68.2057 H 215 SER215 0.0577 3292 OG 50.7834 53.5151 68.1142 O.3 215 SER215 -0.3930 3293 HG 51.3141 53.8283 67.3876 H 215 SER215 0.2095 3294 N 47.6140 53.2640 69.4440 N.am 216 PRO216 -0.2315 3295 CA 46.2490 53.7560 69.2950 C.3 216 PRO216 0.0909 3296 HA 45.6114 52.9340 69.6175 H 216 PRO216 0.0560 3297 C 45.8950 54.2180 67.8860 C.2 216 PRO216 0.2216 3298 O 46.8210 54.5140 67.1270 O.2 216 PRO216 -0.2776 3299 CB 46.1842 54.9476 70.2629 C.3 216 PRO216 -0.0275 3300 HB1 45.2030 55.0578 70.7242 H 216 PRO216 0.0285 3301 HB2 46.4103 55.8830 69.7472 H 216 PRO216 0.0285 3302 CG 47.2816 54.6932 71.2864 C.3 216 PRO216 -0.0379 3303 HG1 46.8837 54.0740 72.0915 H 216 PRO216 0.0278 3304 HG2 47.6683 55.6098 71.7317 H 216 PRO216 0.0278 3305 CD 48.3518 53.9085 70.5317 C.3 216 PRO216 0.0071 3306 HD1 49.1156 54.5453 70.0821 H 216 PRO216 0.0431 3307 HD2 48.7965 53.1695 71.1972 H 216 PRO216 0.0431 3308 N 44.6230 54.3010 67.4840 N.am 217 PRO217 -0.2316 3309 CA 44.2210 54.8040 66.1800 C.3 217 PRO217 0.0907 3310 HA 44.4416 54.0005 65.4761 H 217 PRO217 0.0559 3311 C 44.9010 56.0830 65.7270 C.2 217 PRO217 0.2189 3312 O 45.0410 57.0310 66.4960 O.2 217 PRO217 -0.2778 3313 CB 42.7074 54.9954 66.3348 C.3 217 PRO217 -0.0276 3314 HB1 42.1696 54.8606 65.3962 H 217 PRO217 0.0285 3315 HB2 42.4824 55.9978 66.7040 H 217 PRO217 0.0285 3316 CG 42.2997 53.9815 67.3999 C.3 217 PRO217 -0.0379 3317 HG1 42.1345 53.0111 66.9305 H 217 PRO217 0.0278 3318 HG2 41.3839 54.2603 67.9214 H 217 PRO217 0.0278 3319 CD 43.5071 53.8938 68.3337 C.3 217 PRO217 0.0071 3320 HD1 43.4441 54.6040 69.1593 H 217 PRO217 0.0431 3321 HD2 43.6646 52.8797 68.7038 H 217 PRO217 0.0431 3322 N 45.3200 56.1050 64.4590 N.am 218 ALA218 -0.2459 3323 H 45.1580 55.2660 63.9010 H 218 ALA218 0.1312 3324 CA 45.9800 57.2090 63.8100 C.3 218 ALA218 0.0852 3325 HA 46.9018 57.3585 64.3724 H 218 ALA218 0.0554 3326 C 45.1960 58.5250 63.7430 C.2 218 ALA218 0.2211 3327 O 43.9700 58.4900 63.6540 O.2 218 ALA218 -0.2776 3328 CB 46.2918 56.7547 62.3830 C.3 218 ALA218 -0.0411 3329 HB1 46.8807 57.4927 61.8433 H 218 ALA218 0.0249 3330 HB2 45.3766 56.5816 61.8168 H 218 ALA218 0.0249 3331 HB3 46.8492 55.8197 62.4004 H 218 ALA218 0.0249 3332 N 45.8290 59.7090 63.7110 N.am 219 PRO219 -0.2316 3333 CA 45.1390 60.9810 63.5220 C.3 219 PRO219 0.0907 3334 HA 44.2880 61.0285 64.2031 H 219 PRO219 0.0559 3335 C 44.6570 61.1940 62.0970 C.2 219 PRO219 0.2190 3336 O 44.0660 62.2430 61.8620 O.2 219 PRO219 -0.2778 3337 CB 46.2244 62.0013 63.8894 C.3 219 PRO219 -0.0276 3338 HB1 46.1852 62.1886 64.9629 H 219 PRO219 0.0285 3339 HB2 46.1170 62.9656 63.3901 H 219 PRO219 0.0285 3340 CG 47.5402 61.3021 63.5541 C.3 219 PRO219 -0.0379 3341 HG1 48.3876 61.7049 64.1088 H 219 PRO219 0.0278 3342 HG2 47.7499 61.4155 62.4897 H 219 PRO219 0.0278 3343 CD 47.2753 59.8302 63.8663 C.3 219 PRO219 0.0071 3344 HD1 47.7874 59.1545 63.1831 H 219 PRO219 0.0431 3345 HD2 47.5131 59.5803 64.9018 H 219 PRO219 0.0431 3346 N 44.9130 60.2260 61.1790 N.am 220 SER220 -0.2436 3347 H 45.3110 59.3670 61.5590 H 220 SER220 0.1312 3348 CA 44.7060 60.2220 59.7250 C.3 220 SER220 0.1109 3349 HA 43.8977 59.5147 59.5422 H 220 SER220 0.0580 3350 C 45.9450 59.7170 59.0130 C.2 220 SER220 0.2209 3351 O 45.9080 59.3540 57.8410 O.2 220 SER220 -0.2777 3352 CB 44.3469 61.6007 59.1348 C.3 220 SER220 0.0681 3353 HB1 43.4281 61.9725 59.6022 H 220 SER220 0.0577 3354 HB2 44.1275 61.4911 58.0675 H 220 SER220 0.0577 3355 OG 45.4279 62.5169 59.2967 O.3 220 SER220 -0.3930 3356 HG 45.1595 63.4064 59.0776 H 220 SER220 0.2095 3357 N 47.0720 59.5970 59.7360 N.am 221 ARG221 -0.2456 3358 H 47.0560 59.8780 60.7160 H 221 ARG221 0.1312 3359 CA 48.3140 59.0830 59.1790 C.3 221 ARG221 0.0879 3360 HA 48.0954 58.5383 58.2583 H 221 ARG221 0.0557 3361 C 48.9280 58.1180 60.1740 C.2 221 ARG221 0.2187 3362 O 49.2070 58.5330 61.2910 O.2 221 ARG221 -0.2778 3363 CB 49.2349 60.2811 58.8970 C.3 221 ARG221 -0.0258 3364 HB1 49.4326 60.8188 59.8260 H 221 ARG221 0.0286 3365 HB2 48.6969 60.9815 58.2563 H 221 ARG221 0.0286 3366 CG 50.5618 59.9061 58.2198 C.3 221 ARG221 -0.0154 3367 HG1 50.3568 59.3459 57.3067 H 221 ARG221 0.0299 3368 HG2 51.1341 59.2438 58.8705 H 221 ARG221 0.0299 3369 CD 51.4015 61.1451 57.8840 C.3 221 ARG221 0.1045 3370 HD1 51.6438 61.7020 58.7933 H 221 ARG221 0.0711 3371 HD2 50.8553 61.8020 57.2014 H 221 ARG221 0.0711 3372 NE 52.6536 60.7415 57.2402 N.pl3 221 ARG221 -0.4450 3373 HE 52.8370 59.7670 57.1159 H 221 ARG221 0.3153 3374 CZ 53.5736 61.6001 56.8050 C.cat 221 ARG221 0.5062 3375 NH1 54.6621 61.1457 56.2438 N.pl3 221 ARG221 -0.4573 3376 HH11 55.3594 61.7779 55.9131 H 221 ARG221 0.3114 3377 HH12 54.8015 60.1631 56.1428 H 221 ARG221 0.3114 3378 NH2 53.4099 62.8914 56.9282 N.pl3 221 ARG221 -0.4573 3379 HH21 54.1058 63.5260 56.5994 H 221 ARG221 0.3114 3380 HH22 52.5808 63.2434 57.3548 H 221 ARG221 0.3114 3381 N 49.0600 56.8160 59.7810 N.am 222 SER222 -0.2436 3382 H 48.7690 56.6300 58.8210 H 222 SER222 0.1312 3383 CA 49.5560 55.6280 60.5170 C.3 222 SER222 0.1109 3384 HA 50.4474 55.3035 59.9814 H 222 SER222 0.0580 3385 C 48.5420 54.4880 60.4230 C.2 222 SER222 0.2209 3386 O 48.8240 53.3310 60.7130 O.2 222 SER222 -0.2777 3387 CB 49.9343 55.9152 61.9840 C.3 222 SER222 0.0681 3388 HB1 49.0482 56.2207 62.5506 H 222 SER222 0.0577 3389 HB2 50.6538 56.7381 62.0190 H 222 SER222 0.0577 3390 OG 50.5399 54.7671 62.5623 O.3 222 SER222 -0.3930 3391 HG 50.6624 54.8665 63.5041 H 222 SER222 0.2095 3392 N 47.2890 54.7790 60.0030 N.am 223 LEU223 -0.2456 3393 H 47.0510 55.7570 59.8390 H 223 LEU223 0.1312 3394 CA 46.2600 53.7700 59.7720 C.3 223 LEU223 0.0880 3395 HA 46.1253 53.2622 60.7279 H 223 LEU223 0.0557 3396 C 46.6850 52.7450 58.7230 C.2 223 LEU223 0.2187 3397 O 47.0280 53.0840 57.5920 O.2 223 LEU223 -0.2778 3398 CB 44.9590 54.4766 59.3543 C.3 223 LEU223 -0.0266 3399 HB1 45.1392 55.0381 58.4363 H 223 LEU223 0.0287 3400 HB2 44.6999 55.2182 60.1095 H 223 LEU223 0.0287 3401 CG 43.7536 53.5390 59.1452 C.3 223 LEU223 -0.0449 3402 HG 44.0025 52.8161 58.3669 H 223 LEU223 0.0296 3403 CD1 43.4025 52.7574 60.4191 C.3 223 LEU223 -0.0626 3404 HD11 42.5189 52.1378 60.2642 H 223 LEU223 0.0232 3405 HD12 43.1953 53.4310 61.2511 H 223 LEU223 0.0232 3406 HD13 44.2118 52.0915 60.7173 H 223 LEU223 0.0232 3407 CD2 42.5377 54.3331 58.6519 C.3 223 LEU223 -0.0626 3408 HD21 41.6897 53.6747 58.4619 H 223 LEU223 0.0232 3409 HD22 42.7623 54.8578 57.7229 H 223 LEU223 0.0232 3410 HD23 42.2261 55.0749 59.3878 H 223 LEU223 0.0232 3411 N 46.7070 51.4580 59.1070 N.am 224 ALA224 -0.2459 3412 H 46.3290 51.2160 60.0230 H 224 ALA224 0.1312 3413 CA 47.2420 50.4010 58.2800 C.3 224 ALA224 0.0852 3414 HA 48.0425 50.8374 57.6841 H 224 ALA224 0.0554 3415 C 46.1990 49.7520 57.3760 C.2 224 ALA224 0.2211 3416 O 45.0440 49.6080 57.7870 O.2 224 ALA224 -0.2776 3417 CB 47.8414 49.3348 59.2048 C.3 224 ALA224 -0.0411 3418 HB1 48.3111 48.5310 58.6368 H 224 ALA224 0.0249 3419 HB2 47.0790 48.8903 59.8460 H 224 ALA224 0.0249 3420 HB3 48.6038 49.7698 59.8515 H 224 ALA224 0.0249 3421 N 46.5360 49.2740 56.1720 N.am 225 PRO225 -0.2316 3422 CA 45.5430 48.6780 55.2930 C.3 225 PRO225 0.0907 3423 HA 44.5562 49.1213 55.4367 H 225 PRO225 0.0559 3424 C 45.5270 47.1800 55.5450 C.2 225 PRO225 0.2189 3425 O 45.8230 46.3780 54.6630 O.2 225 PRO225 -0.2778 3426 CB 46.1551 48.9897 53.9216 C.3 225 PRO225 -0.0276 3427 HB1 45.9020 50.0138 53.6454 H 225 PRO225 0.0285 3428 HB2 45.8007 48.3428 53.1180 H 225 PRO225 0.0285 3429 CG 47.6669 48.8908 54.1509 C.3 225 PRO225 -0.0379 3430 HG1 48.2385 49.4722 53.4274 H 225 PRO225 0.0278 3431 HG2 47.9845 47.8510 54.0648 H 225 PRO225 0.0278 3432 CD 47.8728 49.3738 55.5903 C.3 225 PRO225 0.0071 3433 HD1 48.5664 48.7577 56.1643 H 225 PRO225 0.0431 3434 HD2 48.1754 50.4217 55.6044 H 225 PRO225 0.0431 3435 N 45.1350 46.8050 56.7720 N.am 226 ALA226 -0.2459 3436 H 44.9140 47.5410 57.4420 H 226 ALA226 0.1312 3437 CA 45.0020 45.4310 57.2170 C.3 226 ALA226 0.0852 3438 HA 44.7395 44.8231 56.3497 H 226 ALA226 0.0554 3439 C 43.8810 45.2650 58.2550 C.2 226 ALA226 0.2211 3440 O 44.1720 45.0110 59.4260 O.2 226 ALA226 -0.2776 3441 CB 46.3524 44.9674 57.7802 C.3 226 ALA226 -0.0411 3442 HB1 46.3122 43.9270 58.1044 H 226 ALA226 0.0249 3443 HB2 46.6568 45.5756 58.6327 H 226 ALA226 0.0249 3444 HB3 47.1332 45.0468 57.0236 H 226 ALA226 0.0249 3445 N 42.5940 45.4350 57.9100 N.am 227 PRO227 -0.2316 3446 CA 41.4620 45.1640 58.7910 C.3 227 PRO227 0.0907 3447 HA 41.4586 45.9748 59.5206 H 227 PRO227 0.0559 3448 C 41.4490 43.8290 59.5170 C.2 227 PRO227 0.2189 3449 O 41.8000 42.7940 58.9540 O.2 227 PRO227 -0.2778 3450 CB 40.2475 45.2671 57.8577 C.3 227 PRO227 -0.0276 3451 HB1 39.3588 45.6404 58.3671 H 227 PRO227 0.0285 3452 HB2 39.9990 44.2920 57.4344 H 227 PRO227 0.0285 3453 CG 40.7007 46.1783 56.7251 C.3 227 PRO227 -0.0379 3454 HG1 40.5544 47.2185 57.0184 H 227 PRO227 0.0278 3455 HG2 40.1486 46.0119 55.7999 H 227 PRO227 0.0278 3456 CD 42.1946 45.8976 56.5795 C.3 227 PRO227 0.0071 3457 HD1 42.4003 45.0925 55.8722 H 227 PRO227 0.0431 3458 HD2 42.7301 46.8035 56.3020 H 227 PRO227 0.0431 3459 N 40.9820 43.8420 60.7710 N.am 228 VAL228 -0.2454 3460 H 40.7080 44.7410 61.1660 H 228 VAL228 0.1312 3461 CA 40.8390 42.6670 61.6060 C.3 228 VAL228 0.0901 3462 HA 41.4686 41.8662 61.2162 H 228 VAL228 0.0560 3463 C 39.3730 42.2450 61.5750 C.2 228 VAL228 0.2187 3464 O 38.5130 42.8450 62.2150 O.2 228 VAL228 -0.2778 3465 CB 41.2834 43.0719 63.0339 C.3 228 VAL228 -0.0227 3466 HB 40.6915 43.9404 63.3282 H 228 VAL228 0.0315 3467 CG1 41.0405 41.9917 64.1017 C.3 228 VAL228 -0.0608 3468 HG11 41.2335 42.3902 65.0980 H 228 VAL228 0.0233 3469 HG12 41.7062 41.1429 63.9693 H 228 VAL228 0.0233 3470 HG13 40.0145 41.6243 64.0972 H 228 VAL228 0.0233 3471 CG2 42.7603 43.4987 63.0582 C.3 228 VAL228 -0.0608 3472 HG21 43.0651 43.7921 64.0632 H 228 VAL228 0.0233 3473 HG22 42.9524 44.3479 62.4021 H 228 VAL228 0.0233 3474 HG23 43.4085 42.6810 62.7416 H 228 VAL228 0.0233 3475 N 39.0530 41.2040 60.7740 N.am 229 GLY229 -0.2485 3476 H 39.8090 40.7540 60.2580 H 229 GLY229 0.1309 3477 CA 37.6990 40.6760 60.5930 C.3 229 GLY229 0.0765 3478 HA1 37.5557 40.5384 59.5217 H 229 GLY229 0.0521 3479 HA2 36.9722 41.4069 60.9497 H 229 GLY229 0.0521 3480 C 37.4890 39.3650 61.3060 C.2 229 GLY229 0.2156 3481 O 38.1830 39.0290 62.2550 O.2 229 GLY229 -0.2781 3482 N 36.5450 38.5300 60.8210 N.am 230 THR230 -0.2436 3483 H 35.9880 38.8420 60.0260 H 230 THR230 0.1312 3484 CA 36.2770 37.1940 61.3770 C.3 230 THR230 0.1135 3485 HA 36.2363 37.2960 62.4624 H 230 THR230 0.0583 3486 C 37.3910 36.2110 61.0520 C.2 230 THR230 0.2212 3487 O 37.6070 35.2160 61.7370 O.2 230 THR230 -0.2777 3488 CB 34.9313 36.6738 60.8406 C.3 230 THR230 0.0763 3489 HB 34.8069 35.6384 61.1820 H 230 THR230 0.0611 3490 OG1 34.9637 36.7145 59.4214 O.3 230 THR230 -0.3900 3491 HG1 34.1632 36.3513 59.0545 H 230 THR230 0.2098 3492 CG2 33.7560 37.5121 61.3686 C.3 230 THR230 -0.0370 3493 HG21 32.7950 37.0918 61.0712 H 230 THR230 0.0255 3494 HG22 33.8005 38.5358 60.9968 H 230 THR230 0.0255 3495 HG23 33.7673 37.5533 62.4579 H 230 THR230 0.0255 3496 N 38.1580 36.5220 59.9940 N.am 231 CYS231 -0.2448 3497 H 37.8800 37.3340 59.4440 H 231 CYS231 0.1312 3498 CA 39.3430 35.8120 59.5610 C.3 231 CYS231 0.0965 3499 HA 39.1371 34.7453 59.6613 H 231 CYS231 0.0565 3500 C 40.5570 36.1480 60.4220 C.2 231 CYS231 0.2195 3501 O 41.6110 35.5290 60.2950 O.2 231 CYS231 -0.2778 3502 CB 39.6288 36.1575 58.0938 C.3 231 CYS231 0.0147 3503 HB1 40.5050 35.6090 57.7452 H 231 CYS231 0.0394 3504 HB2 39.8649 37.2182 57.9979 H 231 CYS231 0.0394 3505 SG 38.2428 35.7783 56.9896 S.3 231 CYS231 -0.1762 3506 HG 38.5840 36.0562 55.7289 H 231 CYS231 0.1017 3507 N 40.4520 37.1650 61.3000 N.am 232 ALA232 -0.2459 3508 H 39.5500 37.6320 61.3930 H 232 ALA232 0.1312 3509 CA 41.5500 37.6290 62.1160 C.3 232 ALA232 0.0852 3510 HA 42.4793 37.3338 61.6314 H 232 ALA232 0.0554 3511 C 41.4490 37.0160 63.5230 C.2 232 ALA232 0.2211 3512 O 40.4960 37.3210 64.2430 O.2 232 ALA232 -0.2776 3513 CB 41.5143 39.1548 62.1695 C.3 232 ALA232 -0.0411 3514 HB1 42.3938 39.5385 62.6858 H 232 ALA232 0.0249 3515 HB2 40.6242 39.5200 62.6812 H 232 ALA232 0.0249 3516 HB3 41.5160 39.5714 61.1628 H 232 ALA232 0.0249 3517 N 42.3520 36.1260 63.9660 N.am 233 PRO233 -0.2316 3518 CA 42.2210 35.4680 65.2620 C.3 233 PRO233 0.0909 3519 HA 41.1881 35.1421 65.3752 H 233 PRO233 0.0560 3520 C 42.6590 36.3960 66.4100 C.2 233 PRO233 0.2216 3521 O 43.3240 37.3940 66.1270 O.2 233 PRO233 -0.2776 3522 CB 43.1887 34.2873 65.1277 C.3 233 PRO233 -0.0275 3523 HB1 42.6641 33.4465 64.6731 H 233 PRO233 0.0285 3524 HB2 43.5975 33.9421 66.0787 H 233 PRO233 0.0285 3525 CG 44.2666 34.7829 64.1654 C.3 233 PRO233 -0.0379 3526 HG1 44.7809 33.9710 63.6513 H 233 PRO233 0.0278 3527 HG2 45.0123 35.3511 64.7234 H 233 PRO233 0.0278 3528 CD 43.5288 35.7178 63.2052 C.3 233 PRO233 0.0071 3529 HD1 44.1188 36.5972 62.9418 H 233 PRO233 0.0431 3530 HD2 43.1820 35.1974 62.3114 H 233 PRO233 0.0431 3531 N 42.2940 36.1500 67.6820 N.am 234 PRO234 -0.2316 3532 CA 42.8390 36.8340 68.8610 C.3 234 PRO234 0.0907 3533 HA 42.5179 37.8741 68.7919 H 234 PRO234 0.0559 3534 C 44.3480 36.7650 68.9790 C.2 234 PRO234 0.2189 3535 O 44.8990 35.7750 68.5040 O.2 234 PRO234 -0.2778 3536 CB 42.1710 36.1084 70.0390 C.3 234 PRO234 -0.0276 3537 HB1 41.9469 36.7809 70.8673 H 234 PRO234 0.0285 3538 HB2 42.8146 35.3162 70.4265 H 234 PRO234 0.0285 3539 CG 40.9203 35.4632 69.4515 C.3 234 PRO234 -0.0379 3540 HG1 40.1041 36.1866 69.4623 H 234 PRO234 0.0278 3541 HG2 40.5947 34.5848 70.0087 H 234 PRO234 0.0278 3542 CD 41.2897 35.1408 68.0047 C.3 234 PRO234 0.0071 3543 HD1 41.7614 34.1627 67.8988 H 234 PRO234 0.0431 3544 HD2 40.4266 35.2323 67.3442 H 234 PRO234 0.0431 3545 N 44.9960 37.7580 69.6520 N.am 235 GLU235 -0.2456 3546 H 44.4180 38.5440 69.9490 H 235 GLU235 0.1312 3547 CA 46.4210 37.8410 70.0050 C.3 235 GLU235 0.0883 3548 HA 46.7914 38.5177 69.2341 H 235 GLU235 0.0557 3549 C 47.2470 36.5680 69.7910 C.2 235 GLU235 0.2185 3550 O 47.7350 36.3170 68.6930 O.2 235 GLU235 -0.2778 3551 CB 46.7636 38.5351 71.3501 C.3 235 GLU235 -0.0193 3552 HB1 46.4608 37.9144 72.1934 H 235 GLU235 0.0290 3553 HB2 46.1915 39.4600 71.4322 H 235 GLU235 0.0290 3554 CG 48.2832 38.8703 71.4450 C.3 235 GLU235 0.0356 3555 HG1 48.5740 39.5024 70.6071 H 235 GLU235 0.0374 3556 HG2 48.8815 37.9645 71.3640 H 235 GLU235 0.0374 3557 CD 48.7459 39.5937 72.7269 C.2 235 GLU235 0.1760 3558 OE1 47.9860 40.3731 73.2873 O.co2 235 GLU235 -0.6478 3559 OE2 49.8797 39.3811 73.1601 O.co2 235 GLU235 -0.6478 3560 N 47.4480 35.7210 70.8350 N.am 236 GLY236 -0.2485 3561 H 47.0530 35.9800 71.7390 H 236 GLY236 0.1309 3562 CA 48.1950 34.4570 70.7530 C.3 236 GLY236 0.0765 3563 HA1 47.8058 33.8949 69.9037 H 236 GLY236 0.0521 3564 HA2 47.9809 33.9021 71.6654 H 236 GLY236 0.0521 3565 C 49.6930 34.6170 70.6090 C.2 236 GLY236 0.2155 3566 O 50.4840 33.7900 71.0500 O.2 236 GLY236 -0.2781 3567 N 50.1060 35.7150 69.9740 N.am 237 VAL237 -0.2456 3568 H 49.3810 36.3770 69.6970 H 237 VAL237 0.1312 3569 CA 51.4560 36.0710 69.6360 C.3 237 VAL237 0.0903 3570 HA 52.0952 35.2246 69.8755 H 237 VAL237 0.0560 3571 C 51.8300 37.3130 70.4330 C.2 237 VAL237 0.2216 3572 O 51.3140 38.3930 70.1410 O.2 237 VAL237 -0.2776 3573 CB 51.5618 36.3196 68.1152 C.3 237 VAL237 -0.0227 3574 HB 51.0545 37.2558 67.8744 H 237 VAL237 0.0315 3575 CG1 53.0310 36.4388 67.6872 C.3 237 VAL237 -0.0608 3576 HG11 53.1144 36.7413 66.6432 H 237 VAL237 0.0233 3577 HG12 53.5508 35.4877 67.8036 H 237 VAL237 0.0233 3578 HG13 53.5589 37.1711 68.2918 H 237 VAL237 0.0233 3579 CG2 50.8784 35.2132 67.2941 C.3 237 VAL237 -0.0608 3580 HG21 51.0242 35.3752 66.2260 H 237 VAL237 0.0233 3581 HG22 49.8024 35.1840 67.4665 H 237 VAL237 0.0233 3582 HG23 51.2841 34.2319 67.5410 H 237 VAL237 0.0233 3583 N 52.7500 37.2670 71.4040 N.am 238 PRO238 -0.2316 3584 CA 53.1150 38.4340 72.2090 C.3 238 PRO238 0.0907 3585 HA 52.2014 38.8097 72.6695 H 238 PRO238 0.0559 3586 C 53.7870 39.5380 71.4010 C.2 238 PRO238 0.2189 3587 O 54.0560 40.6080 71.9440 O.2 238 PRO238 -0.2778 3588 CB 54.0914 37.8696 73.2539 C.3 238 PRO238 -0.0276 3589 HB1 53.9272 38.3035 74.2403 H 238 PRO238 0.0285 3590 HB2 55.1283 38.0664 72.9767 H 238 PRO238 0.0285 3591 CG 53.8733 36.3606 73.2433 C.3 238 PRO238 -0.0379 3592 HG1 53.0756 36.1113 73.9446 H 238 PRO238 0.0278 3593 HG2 54.7600 35.7983 73.5359 H 238 PRO238 0.0278 3594 CD 53.4087 36.0341 71.8263 C.3 238 PRO238 0.0071 3595 HD1 54.2306 35.8429 71.1354 H 238 PRO238 0.0431 3596 HD2 52.7041 35.2012 71.8431 H 238 PRO238 0.0431 3597 N 54.0540 39.3030 70.0950 N.am 239 ALA239 -0.2459 3598 H 53.8450 38.3640 69.7560 H 239 ALA239 0.1312 3599 CA 54.6000 40.2230 69.1220 C.3 239 ALA239 0.0850 3600 HA 55.5686 40.5270 69.5185 H 239 ALA239 0.0554 3601 C 53.8010 41.5030 68.8700 C.2 239 ALA239 0.2184 3602 O 54.1990 42.3550 68.0870 O.2 239 ALA239 -0.2778 3603 CB 54.8104 39.4870 67.7938 C.3 239 ALA239 -0.0411 3604 HB1 55.3445 40.1093 67.0748 H 239 ALA239 0.0249 3605 HB2 53.8580 39.2058 67.3428 H 239 ALA239 0.0249 3606 HB3 55.3971 38.5800 67.9385 H 239 ALA239 0.0249 3607 N 52.6990 41.7030 69.6140 N.am 240 CYS240 -0.2449 3608 H 52.3230 40.9030 70.1230 H 240 CYS240 0.1312 3609 CA 52.0040 42.9670 69.7490 C.3 240 CYS240 0.0965 3610 HA 51.9053 43.3928 68.7496 H 240 CYS240 0.0565 3611 C 52.7940 43.9550 70.5870 C.2 240 CYS240 0.2192 3612 O 52.4340 45.1180 70.6900 O.2 240 CYS240 -0.2778 3613 CB 50.6034 42.7120 70.3273 C.3 240 CYS240 0.0147 3614 HB1 50.1405 43.6450 70.6531 H 240 CYS240 0.0394 3615 HB2 50.6703 42.0671 71.2021 H 240 CYS240 0.0394 3616 SG 49.4834 41.9236 69.1435 S.3 240 CYS240 -0.1762 3617 HG 48.2743 41.8161 69.7075 H 240 CYS240 0.1017 3618 N 53.8860 43.4940 71.2380 N.am 241 GLY241 -0.2484 3619 H 54.0520 42.4880 71.2330 H 241 GLY241 0.1309 3620 CA 54.8380 44.3330 71.9440 C.3 241 GLY241 0.0765 3621 HA1 55.0419 45.1980 71.3146 H 241 GLY241 0.0521 3622 HA2 55.7535 43.7566 72.0631 H 241 GLY241 0.0521 3623 C 54.3450 44.7700 73.2570 C.2 241 GLY241 0.2155 3624 O 54.5450 45.9280 73.5960 O.2 241 GLY241 -0.2781 3625 N 53.6940 43.8570 74.0070 N.am 242 ARG242 -0.2459 3626 H 53.6210 42.9200 73.6100 H 242 ARG242 0.1312 3627 CA 53.0850 44.0470 75.3100 C.3 242 ARG242 0.0879 3628 HA 52.3185 44.7896 75.1055 H 242 ARG242 0.0557 3629 C 54.0190 44.6680 76.3700 C.2 242 ARG242 0.2187 3630 O 54.4730 44.0160 77.3030 O.2 242 ARG242 -0.2778 3631 CB 52.3942 42.7756 75.8549 C.3 242 ARG242 -0.0258 3632 HB1 51.7006 43.0835 76.6393 H 242 ARG242 0.0286 3633 HB2 53.1262 42.1374 76.3490 H 242 ARG242 0.0286 3634 CG 51.6298 41.8846 74.8542 C.3 242 ARG242 -0.0154 3635 HG1 51.0496 41.1544 75.4203 H 242 ARG242 0.0299 3636 HG2 52.3383 41.2968 74.2700 H 242 ARG242 0.0299 3637 CD 50.6797 42.5816 73.8747 C.3 242 ARG242 0.1045 3638 HD1 50.0360 41.8439 73.3990 H 242 ARG242 0.0711 3639 HD2 51.2471 43.0738 73.0854 H 242 ARG242 0.0711 3640 NE 49.8768 43.6344 74.4854 N.pl3 242 ARG242 -0.4450 3641 HE 50.1817 44.2450 75.2196 H 242 ARG242 0.3153 3642 CZ 48.6526 43.9566 74.0824 C.cat 242 ARG242 0.5062 3643 NH1 48.1797 45.1073 74.4566 N.pl3 242 ARG242 -0.4573 3644 HH11 47.2988 45.3984 74.0660 H 242 ARG242 0.3114 3645 HH12 48.6970 45.6802 75.0988 H 242 ARG242 0.3114 3646 NH2 47.9286 43.1777 73.3256 N.pl3 242 ARG242 -0.4573 3647 HH21 47.1147 43.5572 72.8658 H 242 ARG242 0.3114 3648 HH22 48.1584 42.2077 73.1915 H 242 ARG242 0.3114 3649 N 54.3600 45.9580 76.2080 N.am 243 ARG243 -0.2456 3650 H 53.8280 46.4900 75.5190 H 243 ARG243 0.1312 3651 CA 55.4050 46.6670 76.9120 C.3 243 ARG243 0.0881 3652 HA 55.4797 46.2668 77.9227 H 243 ARG243 0.0557 3653 C 55.0320 48.1340 76.9910 C.2 243 ARG243 0.2213 3654 O 55.9100 48.9700 76.7960 O.2 243 ARG243 -0.2776 3655 CB 56.7373 46.5103 76.1400 C.3 243 ARG243 -0.0258 3656 HB1 57.5313 47.0423 76.6655 H 243 ARG243 0.0286 3657 HB2 56.6378 47.0040 75.1711 H 243 ARG243 0.0286 3658 CG 57.2008 45.0655 75.8793 C.3 243 ARG243 -0.0154 3659 HG1 58.0793 45.1057 75.2348 H 243 ARG243 0.0299 3660 HG2 56.4526 44.5242 75.3030 H 243 ARG243 0.0299 3661 CD 57.5751 44.2913 77.1527 C.3 243 ARG243 0.1045 3662 HD1 56.7464 44.1835 77.8539 H 243 ARG243 0.0711 3663 HD2 58.3673 44.8176 77.6898 H 243 ARG243 0.0711 3664 NE 58.1021 42.9633 76.8175 N.pl3 243 ARG243 -0.4450 3665 HE 59.0897 42.8241 76.8633 H 243 ARG243 0.3153 3666 CZ 57.3565 41.9198 76.4515 C.cat 243 ARG243 0.5062 3667 NH1 57.9393 40.7869 76.1656 N.pl3 243 ARG243 -0.4573 3668 HH11 57.3864 40.0033 75.8918 H 243 ARG243 0.3114 3669 HH12 58.9310 40.7029 76.2213 H 243 ARG243 0.3114 3670 NH2 56.0572 41.9940 76.3697 N.pl3 243 ARG243 -0.4573 3671 HH21 55.5018 41.2189 76.0798 H 243 ARG243 0.3114 3672 HH22 55.6028 42.8528 76.6079 H 243 ARG243 0.3114 3673 N 53.7430 48.4070 77.2880 N.am 244 PRO244 -0.2316 3674 CA 53.0530 49.6910 77.0960 C.3 244 PRO244 0.0907 3675 HA 52.1897 49.4111 76.4966 H 244 PRO244 0.0559 3676 C 53.6770 50.7640 76.2220 C.2 244 PRO244 0.2189 3677 O 54.4100 50.5270 75.2690 O.2 244 PRO244 -0.2778 3678 CB 52.5332 49.9654 78.4976 C.3 244 PRO244 -0.0276 3679 HB1 51.6888 50.6549 78.5070 H 244 PRO244 0.0285 3680 HB2 53.3293 50.3770 79.1177 H 244 PRO244 0.0285 3681 CG 52.1395 48.5520 78.9837 C.3 244 PRO244 -0.0379 3682 HG1 51.0693 48.3904 78.8506 H 244 PRO244 0.0278 3683 HG2 52.3491 48.4302 80.0460 H 244 PRO244 0.0278 3684 CD 52.9245 47.5315 78.1244 C.3 244 PRO244 0.0071 3685 HD1 53.5470 46.8918 78.7490 H 244 PRO244 0.0431 3686 HD2 52.2880 46.9229 77.4898 H 244 PRO244 0.0431 3687 N 53.4000 52.0120 76.5860 N.am 245 ALA245 -0.2459 3688 H 52.7560 52.1460 77.3660 H 245 ALA245 0.1312 3689 CA 53.9420 53.1850 75.9600 C.3 245 ALA245 0.0850 3690 HA 53.6827 53.1234 74.9036 H 245 ALA245 0.0554 3691 C 55.4530 53.2670 76.1050 C.2 245 ALA245 0.2184 3692 O 55.9690 52.8670 77.1440 O.2 245 ALA245 -0.2778 3693 CB 53.2585 54.3993 76.5965 C.3 245 ALA245 -0.0411 3694 HB1 53.5567 55.3276 76.1180 H 245 ALA245 0.0249 3695 HB2 53.4909 54.4756 77.6591 H 245 ALA245 0.0249 3696 HB3 52.1751 54.3221 76.5000 H 245 ALA245 0.0249 3697 N 56.1990 53.7690 75.0820 N.am 246 ARG246 -0.2457 3698 H 55.7060 54.2050 74.3030 H 246 ARG246 0.1312 3699 CA 57.6630 53.7240 75.0260 C.3 246 ARG246 0.0879 3700 HA 57.8932 52.7334 74.6316 H 246 ARG246 0.0557 3701 C 58.4050 53.8650 76.3680 C.2 246 ARG246 0.2187 3702 O 58.3810 54.9180 77.0070 O.2 246 ARG246 -0.2778 3703 CB 58.1852 54.7974 74.0494 C.3 246 ARG246 -0.0258 3704 HB1 59.2763 54.8004 74.0397 H 246 ARG246 0.0286 3705 HB2 57.9120 55.7742 74.4439 H 246 ARG246 0.0286 3706 CG 57.6639 54.6521 72.6030 C.3 246 ARG246 -0.0154 3707 HG1 57.5541 55.6407 72.1569 H 246 ARG246 0.0299 3708 HG2 56.6610 54.2281 72.5954 H 246 ARG246 0.0299 3709 CD 58.5904 53.8103 71.7108 C.3 246 ARG246 0.1045 3710 HD1 58.0831 53.4297 70.8238 H 246 ARG246 0.0711 3711 HD2 58.9691 52.9384 72.2493 H 246 ARG246 0.0711 3712 NE 59.7430 54.6089 71.2859 N.pl3 246 ARG246 -0.4450 3713 HE 60.5704 54.5998 71.8453 H 246 ARG246 0.3153 3714 CZ 59.7613 55.3654 70.1877 C.cat 246 ARG246 0.5062 3715 NH1 60.8326 56.0590 69.9091 N.pl3 246 ARG246 -0.4573 3716 HH11 60.8641 56.6253 69.0887 H 246 ARG246 0.3114 3717 HH12 61.6238 56.0252 70.5150 H 246 ARG246 0.3114 3718 NH2 58.7356 55.4326 69.3779 N.pl3 246 ARG246 -0.4573 3719 HH21 58.7677 56.0074 68.5650 H 246 ARG246 0.3114 3720 HH22 57.9089 54.9013 69.5683 H 246 ARG246 0.3114 3721 N 59.1010 52.8000 76.8230 N.am 247 LEU247 -0.2456 3722 H 59.1150 51.9500 76.2600 H 247 LEU247 0.1312 3723 CA 59.8320 52.8120 78.0820 C.3 247 LEU247 0.0880 3724 HA 59.1420 53.1736 78.8445 H 247 LEU247 0.0557 3725 C 61.0680 53.7160 78.0570 C.2 247 LEU247 0.2187 3726 O 62.1640 53.3360 77.6730 O.2 247 LEU247 -0.2778 3727 CB 60.2582 51.3581 78.4025 C.3 247 LEU247 -0.0266 3728 HB1 60.6292 51.3080 79.4272 H 247 LEU247 0.0287 3729 HB2 61.1047 51.0877 77.7687 H 247 LEU247 0.0287 3730 CG 59.1770 50.2721 78.1908 C.3 247 LEU247 -0.0449 3731 HG 58.8383 50.2972 77.1548 H 247 LEU247 0.0296 3732 CD1 59.7676 48.8744 78.4179 C.3 247 LEU247 -0.0626 3733 HD11 59.0206 48.1000 78.2428 H 247 LEU247 0.0232 3734 HD12 60.1324 48.7615 79.4393 H 247 LEU247 0.0232 3735 HD13 60.6032 48.6865 77.7432 H 247 LEU247 0.0232 3736 CD2 57.9492 50.4719 79.0830 C.3 247 LEU247 -0.0626 3737 HD21 57.1845 49.7268 78.8635 H 247 LEU247 0.0232 3738 HD22 57.4980 51.4520 78.9308 H 247 LEU247 0.0232 3739 HD23 58.2176 50.3591 80.1319 H 247 LEU247 0.0232 3740 N 60.8940 54.9820 78.4540 N.am 248 LEU248 -0.2456 3741 H 59.9360 55.2940 78.6140 H 248 LEU248 0.1312 3742 CA 61.9500 55.9440 78.6750 C.3 248 LEU248 0.0883 3743 HA 62.6152 55.8337 77.8225 H 248 LEU248 0.0557 3744 C 62.7440 55.7030 79.9750 C.2 248 LEU248 0.2214 3745 O 62.1430 55.3310 80.9740 O.2 248 LEU248 -0.2776 3746 CB 61.3032 57.3491 78.5937 C.3 248 LEU248 -0.0266 3747 HB1 60.3653 57.3235 79.1426 H 248 LEU248 0.0287 3748 HB2 60.9987 57.5384 77.5639 H 248 LEU248 0.0287 3749 CG 62.1617 58.5360 79.0894 C.3 248 LEU248 -0.0449 3750 HG 62.6515 58.2508 80.0159 H 248 LEU248 0.0296 3751 CD1 63.2526 58.9332 78.0842 C.3 248 LEU248 -0.0626 3752 HD11 64.0707 59.4513 78.5857 H 248 LEU248 0.0232 3753 HD12 62.8764 59.6106 77.3220 H 248 LEU248 0.0232 3754 HD13 63.6612 58.0701 77.5622 H 248 LEU248 0.0232 3755 CD2 61.2982 59.7557 79.4333 C.3 248 LEU248 -0.0626 3756 HD21 61.9192 60.5617 79.8241 H 248 LEU248 0.0232 3757 HD22 60.5482 59.5332 80.1890 H 248 LEU248 0.0232 3758 HD23 60.7692 60.1256 78.5565 H 248 LEU248 0.0232 3759 N 64.0520 55.9050 80.0820 N.am 249 PRO249 -0.2316 3760 CA 64.7360 55.7040 81.3610 C.3 249 PRO249 0.0907 3761 HA 64.3765 54.7740 81.8063 H 249 PRO249 0.0559 3762 C 64.5390 56.8550 82.3190 C.2 249 PRO249 0.2189 3763 O 64.2850 56.6490 83.5000 O.2 249 PRO249 -0.2778 3764 CB 66.2222 55.5870 80.9623 C.3 249 PRO249 -0.0276 3765 HB1 66.6891 54.7025 81.3962 H 249 PRO249 0.0285 3766 HB2 66.8077 56.4478 81.2906 H 249 PRO249 0.0285 3767 CG 66.2452 55.5371 79.4350 C.3 249 PRO249 -0.0379 3768 HG1 66.2114 54.4973 79.1066 H 249 PRO249 0.0278 3769 HG2 67.1412 55.9891 79.0088 H 249 PRO249 0.0278 3770 CD 64.9660 56.2412 78.9965 C.3 249 PRO249 0.0071 3771 HD1 65.0975 57.3217 78.9964 H 249 PRO249 0.0431 3772 HD2 64.6248 55.8787 78.0288 H 249 PRO249 0.0431 3773 N 64.6180 58.1070 81.8260 N.am 250 LEU250 -0.2456 3774 H 64.8110 58.2220 80.8310 H 250 LEU250 0.1312 3775 CA 64.4430 59.3000 82.6330 C.3 250 LEU250 0.0880 3776 HA 65.0745 59.1904 83.5093 H 250 LEU250 0.0557 3777 C 62.9930 59.4850 83.0980 C.2 250 LEU250 0.2187 3778 O 62.7000 60.3880 83.8640 O.2 250 LEU250 -0.2778 3779 CB 64.8825 60.5222 81.8088 C.3 250 LEU250 -0.0266 3780 HB1 64.7759 61.4270 82.4095 H 250 LEU250 0.0287 3781 HB2 64.2056 60.6424 80.9608 H 250 LEU250 0.0287 3782 CG 66.3267 60.4407 81.2784 C.3 250 LEU250 -0.0449 3783 HG 66.4218 59.5601 80.6419 H 250 LEU250 0.0296 3784 CD1 66.6406 61.6587 80.4008 C.3 250 LEU250 -0.0626 3785 HD11 67.6467 61.5962 79.9850 H 250 LEU250 0.0232 3786 HD12 66.5735 62.5854 80.9716 H 250 LEU250 0.0232 3787 HD13 65.9435 61.7313 79.5653 H 250 LEU250 0.0232 3788 CD2 67.3527 60.3176 82.4142 C.3 250 LEU250 -0.0626 3789 HD21 68.3695 60.3215 82.0203 H 250 LEU250 0.0232 3790 HD22 67.2268 59.3898 82.9711 H 250 LEU250 0.0232 3791 HD23 67.2656 61.1486 83.1147 H 250 LEU250 0.0232 3792 N 62.0540 58.6120 82.6470 N.am 251 ARG251 -0.2457 3793 H 62.3580 57.8970 81.9860 H 251 ARG251 0.1312 3794 CA 60.6520 58.6140 83.0300 C.3 251 ARG251 0.0879 3795 HA 60.2939 59.6254 82.8358 H 251 ARG251 0.0557 3796 C 60.4630 58.3000 84.5130 C.2 251 ARG251 0.2187 3797 O 59.5110 58.7360 85.1780 O.2 251 ARG251 -0.2778 3798 CB 59.8665 57.6157 82.1517 C.3 251 ARG251 -0.0258 3799 HB1 60.2821 57.6235 81.1534 H 251 ARG251 0.0286 3800 HB2 58.8334 57.9488 82.0607 H 251 ARG251 0.0286 3801 CG 59.8725 56.1766 82.6757 C.3 251 ARG251 -0.0154 3802 HG1 59.3922 56.1805 83.6458 H 251 ARG251 0.0299 3803 HG2 60.8898 55.8406 82.8720 H 251 ARG251 0.0299 3804 CD 59.1271 55.1399 81.8325 C.3 251 ARG251 0.1045 3805 HD1 59.6817 54.8479 80.9392 H 251 ARG251 0.0711 3806 HD2 58.1214 55.4677 81.5653 H 251 ARG251 0.0711 3807 NE 59.0214 53.9993 82.7186 N.pl3 251 ARG251 -0.4450 3808 HE 59.4385 54.0802 83.6329 H 251 ARG251 0.3153 3809 CZ 58.4703 52.8175 82.5649 C.cat 251 ARG251 0.5062 3810 NH1 58.6072 51.9698 83.5424 N.pl3 251 ARG251 -0.4573 3811 HH11 58.2223 51.0544 83.5411 H 251 ARG251 0.3114 3812 HH12 59.1509 52.2952 84.3311 H 251 ARG251 0.3114 3813 NH2 57.8121 52.5039 81.4846 N.pl3 251 ARG251 -0.4573 3814 HH21 57.4033 51.5990 81.3976 H 251 ARG251 0.3114 3815 HH22 57.7281 53.1704 80.7516 H 251 ARG251 0.3114 3816 N 61.3320 57.4780 85.0790 N.am 252 GLU252 -0.2456 3817 H 62.1040 57.1370 84.5070 H 252 GLU252 0.1312 3818 CA 61.2630 57.0290 86.4520 C.3 252 GLU252 0.0883 3819 HA 60.1930 56.8571 86.5857 H 252 GLU252 0.0557 3820 C 61.5050 58.1530 87.4420 C.2 252 GLU252 0.2187 3821 O 62.0700 59.1990 87.1290 O.2 252 GLU252 -0.2778 3822 CB 61.9057 55.6608 86.7357 C.3 252 GLU252 -0.0193 3823 HB1 62.5784 55.7318 87.5905 H 252 GLU252 0.0290 3824 HB2 62.5057 55.3419 85.8829 H 252 GLU252 0.0290 3825 CG 60.8493 54.5763 87.0485 C.3 252 GLU252 0.0356 3826 HG1 60.1783 54.8959 87.8463 H 252 GLU252 0.0374 3827 HG2 61.3372 53.6668 87.3994 H 252 GLU252 0.0374 3828 CD 60.0195 54.2192 85.8008 C.2 252 GLU252 0.1760 3829 OE1 58.9490 54.7837 85.5676 O.co2 252 GLU252 -0.6478 3830 OE2 60.4527 53.3631 85.0452 O.co2 252 GLU252 -0.6478 3831 N 61.0110 57.9860 88.6820 N.am 253 HIS253 -0.2453 3832 H 60.4990 57.1260 88.8780 H 253 HIS253 0.1312 3833 CA 61.1560 58.9430 89.7580 C.3 253 HIS253 0.0932 3834 HA 60.6977 59.8656 89.3976 H 253 HIS253 0.0561 3835 C 62.6050 59.2550 90.0990 C.2 253 HIS253 0.2190 3836 O 63.2590 58.5810 90.8810 O.2 253 HIS253 -0.2778 3837 CB 60.3539 58.4528 90.9802 C.3 253 HIS253 0.0146 3838 HB1 59.2897 58.4608 90.7440 H 253 HIS253 0.0348 3839 HB2 60.4845 59.1149 91.8347 H 253 HIS253 0.0348 3840 CG 60.7283 57.0376 91.3698 C.ar 253 HIS253 0.0551 3841 ND1 60.3100 55.9394 90.7027 N.ar 253 HIS253 -0.2469 3842 CD2 61.5048 56.6192 92.4629 C.ar 253 HIS253 0.0047 3843 HD2 61.9759 57.2615 93.1927 H 253 HIS253 0.0764 3844 CE1 60.8182 54.8869 91.3660 C.ar 253 HIS253 0.0737 3845 HE1 60.6484 53.8571 91.0827 H 253 HIS253 0.0963 3846 NE2 61.5517 55.2678 92.4276 N.ar 253 HIS253 -0.2539 3847 HE2 62.0118 54.6793 93.0622 H 253 HIS253 0.1339 3848 N 63.1370 60.3340 89.5070 N.am 254 ARG254 -0.2456 3849 H 62.5220 60.9510 88.9760 H 254 ARG254 0.1312 3850 CA 64.5430 60.6630 89.5880 C.3 254 ARG254 0.0879 3851 HA 65.0668 59.9164 90.1885 H 254 ARG254 0.0557 3852 C 64.7300 61.9850 90.2990 C.2 254 ARG254 0.2187 3853 O 65.6810 62.1860 91.0530 O.2 254 ARG254 -0.2778 3854 CB 65.1156 60.6867 88.1653 C.3 254 ARG254 -0.0258 3855 HB1 66.0338 61.2752 88.1244 H 254 ARG254 0.0286 3856 HB2 64.4058 61.1789 87.4981 H 254 ARG254 0.0286 3857 CG 65.4241 59.2683 87.6690 C.3 254 ARG254 -0.0154 3858 HG1 64.6264 58.5902 87.9718 H 254 ARG254 0.0299 3859 HG2 66.3282 58.9137 88.1652 H 254 ARG254 0.0299 3860 CD 65.5967 59.1974 86.1475 C.3 254 ARG254 0.1045 3861 HD1 66.1320 60.0744 85.7760 H 254 ARG254 0.0711 3862 HD2 64.6259 59.1698 85.6451 H 254 ARG254 0.0711 3863 NE 66.3912 58.0303 85.7484 N.pl3 254 ARG254 -0.4450 3864 HE 67.2954 58.1692 85.3492 H 254 ARG254 0.3153 3865 CZ 65.9896 56.7687 85.8771 C.cat 254 ARG254 0.5062 3866 NH1 66.7662 55.7953 85.4852 N.pl3 254 ARG254 -0.4573 3867 HH11 66.4540 54.8517 85.5715 H 254 ARG254 0.3114 3868 HH12 67.6647 55.9867 85.1000 H 254 ARG254 0.3114 3869 NH2 64.8279 56.4818 86.3885 N.pl3 254 ARG254 -0.4573 3870 HH21 64.5309 55.5337 86.4756 H 254 ARG254 0.3114 3871 HH22 64.2328 57.2233 86.6875 H 254 ARG254 0.3114 3872 N 63.7550 62.9030 90.1530 N.am 255 ALA255 -0.2459 3873 H 63.0700 62.7700 89.4090 H 255 ALA255 0.1312 3874 CA 63.6330 64.0690 91.0010 C.3 255 ALA255 0.0850 3875 HA 64.5777 64.6112 90.9349 H 255 ALA255 0.0554 3876 C 63.3850 63.7220 92.4660 C.2 255 ALA255 0.2184 3877 O 63.9860 64.3060 93.3620 O.2 255 ALA255 -0.2778 3878 CB 62.4899 64.9459 90.4749 C.3 255 ALA255 -0.0411 3879 HB1 62.4085 65.8760 91.0395 H 255 ALA255 0.0249 3880 HB2 61.5284 64.4340 90.5347 H 255 ALA255 0.0249 3881 HB3 62.6584 65.2063 89.4306 H 255 ALA255 0.0249 3882 N 62.5240 62.7140 92.7360 N.am 256 LEU256 -0.2457 3883 H 62.0260 62.2810 91.9580 H 256 LEU256 0.1312 3884 CA 62.2730 62.2170 94.0800 C.3 256 LEU256 0.0880 3885 HA 61.9284 63.0687 94.6677 H 256 LEU256 0.0557 3886 C 63.5150 61.6420 94.7390 C.2 256 LEU256 0.2187 3887 O 63.8500 61.9920 95.8670 O.2 256 LEU256 -0.2778 3888 CB 61.1865 61.1304 93.9794 C.3 256 LEU256 -0.0266 3889 HB1 61.5681 60.3145 93.3647 H 256 LEU256 0.0287 3890 HB2 60.3257 61.5245 93.4398 H 256 LEU256 0.0287 3891 CG 60.7096 60.5556 95.3262 C.3 256 LEU256 -0.0449 3892 HG 61.5692 60.1461 95.8584 H 256 LEU256 0.0296 3893 CD1 60.0717 61.6301 96.2171 C.3 256 LEU256 -0.0626 3894 HD11 59.7183 61.1987 97.1540 H 256 LEU256 0.0232 3895 HD12 59.2182 62.0955 95.7247 H 256 LEU256 0.0232 3896 HD13 60.7831 62.4150 96.4728 H 256 LEU256 0.0232 3897 CD2 59.7294 59.3988 95.0935 C.3 256 LEU256 -0.0626 3898 HD21 59.4116 58.9578 96.0387 H 256 LEU256 0.0232 3899 HD22 60.1876 58.6080 94.4991 H 256 LEU256 0.0232 3900 HD23 58.8368 59.7377 94.5670 H 256 LEU256 0.0232 3901 N 64.2740 60.7950 94.0170 N.am 257 CYS257 -0.2449 3902 H 63.9680 60.5380 93.0790 H 257 CYS257 0.1312 3903 CA 65.5130 60.2350 94.5290 C.3 257 CYS257 0.0965 3904 HA 65.2650 59.7481 95.4740 H 257 CYS257 0.0565 3905 C 66.5830 61.2770 94.8180 C.2 257 CYS257 0.2195 3906 O 67.1680 61.2990 95.8970 O.2 257 CYS257 -0.2778 3907 CB 66.0323 59.1844 93.5408 C.3 257 CYS257 0.0147 3908 HB1 66.9778 58.7698 93.8928 H 257 CYS257 0.0394 3909 HB2 66.2248 59.6412 92.5692 H 257 CYS257 0.0394 3910 SG 64.8635 57.8192 93.3203 S.3 257 CYS257 -0.1762 3911 HG 65.3651 56.9177 92.4733 H 257 CYS257 0.1017 3912 N 66.8380 62.2140 93.8800 N.am 258 THR258 -0.2434 3913 H 66.3220 62.1850 93.0010 H 258 THR258 0.1313 3914 CA 67.8300 63.2690 94.0830 C.3 258 THR258 0.1135 3915 HA 68.7356 62.7706 94.4305 H 258 THR258 0.0583 3916 C 67.4420 64.2370 95.1810 C.2 258 THR258 0.2212 3917 O 68.2460 64.5460 96.0580 O.2 258 THR258 -0.2777 3918 CB 68.1362 63.9699 92.7403 C.3 258 THR258 0.0763 3919 HB 67.1920 64.0377 92.1828 H 258 THR258 0.0611 3920 OG1 69.0805 63.1558 92.0519 O.3 258 THR258 -0.3900 3921 HG1 69.1301 63.4067 91.1325 H 258 THR258 0.2098 3922 CG2 68.7329 65.3851 92.8751 C.3 258 THR258 -0.0370 3923 HG21 68.9793 65.8128 91.9032 H 258 THR258 0.0255 3924 HG22 69.6421 65.3709 93.4751 H 258 THR258 0.0255 3925 HG23 68.0291 66.0719 93.3463 H 258 THR258 0.0255 3926 N 66.1910 64.7350 95.2040 N.am 259 LEU259 -0.2456 3927 H 65.5280 64.4600 94.4790 H 259 LEU259 0.1312 3928 CA 65.7710 65.6580 96.2450 C.3 259 LEU259 0.0880 3929 HA 66.5625 66.3978 96.3601 H 259 LEU259 0.0557 3930 C 65.6130 65.0050 97.6090 C.2 259 LEU259 0.2185 3931 O 65.9410 65.6070 98.6320 O.2 259 LEU259 -0.2778 3932 CB 64.4798 66.3611 95.7920 C.3 259 LEU259 -0.0266 3933 HB1 64.0961 66.9843 96.5971 H 259 LEU259 0.0287 3934 HB2 63.7093 65.6115 95.6049 H 259 LEU259 0.0287 3935 CG 64.6565 67.2439 94.5380 C.3 259 LEU259 -0.0449 3936 HG 64.9862 66.6198 93.7071 H 259 LEU259 0.0296 3937 CD1 63.3204 67.8750 94.1335 C.3 259 LEU259 -0.0626 3938 HD11 63.4144 68.4535 93.2146 H 259 LEU259 0.0232 3939 HD12 62.9489 68.5435 94.9109 H 259 LEU259 0.0232 3940 HD13 62.5701 67.1069 93.9611 H 259 LEU259 0.0232 3941 CD2 65.7062 68.3420 94.7497 C.3 259 LEU259 -0.0626 3942 HD21 65.6986 69.0613 93.9301 H 259 LEU259 0.0232 3943 HD22 66.7126 67.9316 94.8074 H 259 LEU259 0.0232 3944 HD23 65.5096 68.8818 95.6746 H 259 LEU259 0.0232 3945 N 65.1480 63.7380 97.6650 N.am 260 GLY260 -0.2485 3946 H 64.8180 63.3010 96.8040 H 260 GLY260 0.1309 3947 CA 65.0970 62.9670 98.9030 C.3 260 GLY260 0.0765 3948 HA1 64.5730 62.0385 98.6783 H 260 GLY260 0.0521 3949 HA2 64.5109 63.5319 99.6289 H 260 GLY260 0.0521 3950 C 66.4500 62.6490 99.4790 C.2 260 GLY260 0.2155 3951 O 66.6360 62.6930 100.6900 O.2 260 GLY260 -0.2781 3952 N 67.4580 62.3860 98.6250 N.am 261 LEU261 -0.2459 3953 H 67.2390 62.2370 97.6400 H 261 LEU261 0.1312 3954 CA 68.8450 62.3060 99.0510 C.3 261 LEU261 0.0880 3955 HA 68.8796 61.5579 99.8447 H 261 LEU261 0.0557 3956 C 69.3450 63.6210 99.6340 C.2 261 LEU261 0.2187 3957 O 69.8930 63.6500 100.7360 O.2 261 LEU261 -0.2778 3958 CB 69.7201 61.8563 97.8686 C.3 261 LEU261 -0.0266 3959 HB1 69.5188 62.5034 97.0145 H 261 LEU261 0.0287 3960 HB2 69.4048 60.8578 97.5638 H 261 LEU261 0.0287 3961 CG 71.2396 61.8537 98.1478 C.3 261 LEU261 -0.0449 3962 HG 71.5562 62.8762 98.3585 H 261 LEU261 0.0296 3963 CD1 71.6144 60.9904 99.3604 C.3 261 LEU261 -0.0626 3964 HD11 72.6931 60.9883 99.5195 H 261 LEU261 0.0232 3965 HD12 71.2948 59.9571 99.2235 H 261 LEU261 0.0232 3966 HD13 71.1571 61.3624 100.2771 H 261 LEU261 0.0232 3967 CD2 72.0078 61.3937 96.9066 C.3 261 LEU261 -0.0626 3968 HD21 73.0844 61.4969 97.0459 H 261 LEU261 0.0232 3969 HD22 71.7174 61.9893 96.0452 H 261 LEU261 0.0232 3970 HD23 71.7947 60.3493 96.6768 H 261 LEU261 0.0232 3971 N 69.1190 64.7560 98.9330 N.am 262 ILE262 -0.2454 3972 H 68.6040 64.6930 98.0550 H 262 ILE262 0.1312 3973 CA 69.5790 66.0660 99.3780 C.3 262 ILE262 0.0903 3974 HA 70.6525 65.9737 99.5466 H 262 ILE262 0.0560 3975 C 68.9730 66.4890 100.7080 C.2 262 ILE262 0.2189 3976 O 69.6780 66.7890 101.6720 O.2 262 ILE262 -0.2778 3977 CB 69.3202 67.0953 98.2522 C.3 262 ILE262 -0.0201 3978 HB 68.2818 66.9827 97.9363 H 262 ILE262 0.0318 3979 CG1 70.2296 66.8172 97.0366 C.3 262 ILE262 -0.0514 3980 HG11 70.3123 65.7450 96.8613 H 262 ILE262 0.0266 3981 HG12 71.2401 67.1618 97.2556 H 262 ILE262 0.0266 3982 CG2 69.5086 68.5457 98.7324 C.3 262 ILE262 -0.0605 3983 HG21 69.4524 69.2558 97.9101 H 262 ILE262 0.0233 3984 HG22 70.4781 68.6686 99.2120 H 262 ILE262 0.0233 3985 HG23 68.7426 68.8331 99.4526 H 262 ILE262 0.0233 3986 CD1 69.7334 67.4731 95.7427 C.3 262 ILE262 -0.0650 3987 HD11 70.3957 67.2377 94.9102 H 262 ILE262 0.0230 3988 HD12 69.6871 68.5584 95.8295 H 262 ILE262 0.0230 3989 HD13 68.7372 67.1153 95.4857 H 262 ILE262 0.0230 3990 N 67.6320 66.4810 100.8210 N.am 263 MET263 -0.2456 3991 H 67.0650 66.1660 100.0330 H 263 MET263 0.1312 3992 CA 66.9800 66.9110 102.0390 C.3 263 MET263 0.0885 3993 HA 67.4724 67.8309 102.3611 H 263 MET263 0.0557 3994 C 67.1570 65.9160 103.1610 C.2 263 MET263 0.2185 3995 O 67.3270 66.3100 104.3110 O.2 263 MET263 -0.2778 3996 CB 65.4997 67.2117 101.7697 C.3 263 MET263 -0.0199 3997 HB1 64.9646 67.3305 102.7133 H 263 MET263 0.0293 3998 HB2 65.0372 66.3686 101.2547 H 263 MET263 0.0293 3999 CG 65.3196 68.4975 100.9536 C.3 263 MET263 -0.0047 4000 HG1 65.8523 68.4332 100.0042 H 263 MET263 0.0377 4001 HG2 65.7485 69.3511 101.4789 H 263 MET263 0.0377 4002 SD 63.5800 68.8450 100.6421 S.3 263 MET263 -0.1641 4003 CE 63.3829 67.8592 99.1495 C.3 263 MET263 -0.0181 4004 HE1 62.4498 68.1095 98.6446 H 263 MET263 0.0340 4005 HE2 63.4059 66.7953 99.3859 H 263 MET263 0.0340 4006 HE3 64.2059 68.0682 98.4679 H 263 MET263 0.0340 4007 N 67.1620 64.6040 102.8510 N.am 264 GLY264 -0.2485 4008 H 67.0730 64.3350 101.8710 H 264 GLY264 0.1309 4009 CA 67.2890 63.5550 103.8520 C.3 264 GLY264 0.0765 4010 HA1 67.0463 62.6153 103.3574 H 264 GLY264 0.0521 4011 HA2 66.5462 63.7359 104.6292 H 264 GLY264 0.0521 4012 C 68.6450 63.4440 104.4730 C.2 264 GLY264 0.2156 4013 O 68.7500 63.2580 105.6790 O.2 264 GLY264 -0.2781 4014 N 69.7370 63.5890 103.6930 N.am 265 THR265 -0.2436 4015 H 69.6270 63.6790 102.6830 H 265 THR265 0.1312 4016 CA 71.0810 63.6190 104.2830 C.3 265 THR265 0.1135 4017 HA 71.1565 62.7218 104.8997 H 265 THR265 0.0583 4018 C 71.2610 64.8200 105.2060 C.2 265 THR265 0.2212 4019 O 71.7810 64.7150 106.3150 O.2 265 THR265 -0.2777 4020 CB 72.1946 63.5698 103.2140 C.3 265 THR265 0.0763 4021 HB 71.9013 62.8200 102.4723 H 265 THR265 0.0611 4022 OG1 73.3704 63.1155 103.8651 O.3 265 THR265 -0.3900 4023 HG1 74.1235 63.1689 103.2881 H 265 THR265 0.2098 4024 CG2 72.4375 64.9184 102.5040 C.3 265 THR265 -0.0370 4025 HG21 73.1866 64.8445 101.7225 H 265 THR265 0.0255 4026 HG22 72.7998 65.6813 103.1933 H 265 THR265 0.0255 4027 HG23 71.5236 65.2821 102.0414 H 265 THR265 0.0255 4028 N 70.7380 66.0000 104.8010 N.am 266 PHE266 -0.2453 4029 H 70.3200 66.0560 103.8720 H 266 PHE266 0.1312 4030 CA 70.7460 67.1870 105.6290 C.3 266 PHE266 0.0918 4031 HA 71.7863 67.3748 105.9001 H 266 PHE266 0.0560 4032 C 69.9380 67.0580 106.9220 C.2 266 PHE266 0.2191 4033 O 70.4200 67.3350 108.0240 O.2 266 PHE266 -0.2778 4034 CB 70.2063 68.3331 104.7558 C.3 266 PHE266 -0.0036 4035 HB1 69.2314 68.0631 104.3482 H 266 PHE266 0.0333 4036 HB2 70.8610 68.4720 103.8949 H 266 PHE266 0.0333 4037 CG 70.0948 69.6458 105.4859 C.ar 266 PHE266 -0.0454 4038 CD1 71.2372 70.2984 105.9360 C.ar 266 PHE266 -0.0585 4039 HD1 72.2114 69.8597 105.7730 H 266 PHE266 0.0620 4040 CD2 68.8496 70.2285 105.7089 C.ar 266 PHE266 -0.0585 4041 HD2 67.9521 69.7378 105.3622 H 266 PHE266 0.0620 4042 CE1 71.1379 71.5161 106.5937 C.ar 266 PHE266 -0.0615 4043 HE1 72.0340 72.0139 106.9306 H 266 PHE266 0.0618 4044 CE2 68.7489 71.4504 106.3608 C.ar 266 PHE266 -0.0615 4045 HE2 67.7830 71.9059 106.5190 H 266 PHE266 0.0618 4046 CZ 69.8938 72.0960 106.8024 C.ar 266 PHE266 -0.0617 4047 HZ 69.8121 73.0461 107.3105 H 266 PHE266 0.0618 4048 N 68.6680 66.6280 106.8260 N.am 267 THR267 -0.2434 4049 H 68.3060 66.3550 105.9130 H 267 THR267 0.1313 4050 CA 67.7950 66.5410 107.9870 C.3 267 THR267 0.1135 4051 HA 67.9548 67.4599 108.5543 H 267 THR267 0.0583 4052 C 68.1110 65.4160 108.9260 C.2 267 THR267 0.2212 4053 O 68.1080 65.6360 110.1320 O.2 267 THR267 -0.2777 4054 CB 66.3147 66.5037 107.5619 C.3 267 THR267 0.0763 4055 HB 65.7095 66.4116 108.4719 H 267 THR267 0.0611 4056 OG1 66.0855 65.3695 106.7416 O.3 267 THR267 -0.3900 4057 HG1 65.1879 65.3579 106.4266 H 267 THR267 0.2098 4058 CG2 65.9103 67.8081 106.8519 C.3 267 THR267 -0.0370 4059 HG21 64.8391 67.8506 106.6543 H 267 THR267 0.0255 4060 HG22 66.4285 67.9299 105.9023 H 267 THR267 0.0255 4061 HG23 66.1586 68.6699 107.4702 H 267 THR267 0.0255 4062 N 68.4460 64.2040 108.4360 N.am 268 LEU268 -0.2456 4063 H 68.4910 64.0820 107.4240 H 268 LEU268 0.1312 4064 CA 68.7460 63.0610 109.2910 C.3 268 LEU268 0.0880 4065 HA 67.8452 62.8691 109.8739 H 268 LEU268 0.0557 4066 C 69.8860 63.3380 110.2530 C.2 268 LEU268 0.2187 4067 O 69.8850 62.9190 111.4090 O.2 268 LEU268 -0.2778 4068 CB 69.0767 61.8613 108.3857 C.3 268 LEU268 -0.0266 4069 HB1 69.9191 62.1258 107.7439 H 268 LEU268 0.0287 4070 HB2 68.2355 61.6870 107.7141 H 268 LEU268 0.0287 4071 CG 69.4056 60.5509 109.1270 C.3 268 LEU268 -0.0449 4072 HG 70.2730 60.7189 109.7666 H 268 LEU268 0.0296 4073 CD1 68.2450 60.0861 110.0170 C.3 268 LEU268 -0.0626 4074 HD11 68.4811 59.1386 110.5017 H 268 LEU268 0.0232 4075 HD12 67.3340 59.9454 109.4349 H 268 LEU268 0.0232 4076 HD13 68.0333 60.8078 110.8057 H 268 LEU268 0.0232 4077 CD2 69.7912 59.4546 108.1262 C.3 268 LEU268 -0.0626 4078 HD21 70.0658 58.5327 108.6394 H 268 LEU268 0.0232 4079 HD22 70.6435 59.7615 107.5192 H 268 LEU268 0.0232 4080 HD23 68.9652 59.2290 107.4513 H 268 LEU268 0.0232 4081 N 70.8890 64.0850 109.7760 N.am 269 CYS269 -0.2449 4082 H 70.8060 64.4690 108.8350 H 269 CYS269 0.1312 4083 CA 72.0770 64.3690 110.5310 C.3 269 CYS269 0.0965 4084 HA 72.2500 63.5328 111.2032 H 269 CYS269 0.0565 4085 C 72.0410 65.6420 111.3470 C.2 269 CYS269 0.2195 4086 O 72.6150 65.6860 112.4320 O.2 269 CYS269 -0.2778 4087 CB 73.2170 64.4565 109.5177 C.3 269 CYS269 0.0147 4088 HB1 74.1583 64.6424 110.0312 H 269 CYS269 0.0394 4089 HB2 73.0376 65.3008 108.8495 H 269 CYS269 0.0394 4090 SG 73.4010 62.9723 108.4956 S.3 269 CYS269 -0.1762 4091 HG 73.4808 63.3395 107.2116 H 269 CYS269 0.1017 4092 N 71.3720 66.7220 110.8830 N.am 270 TRP270 -0.2453 4093 H 70.8680 66.6720 109.9980 H 270 TRP270 0.1312 4094 CA 71.3770 67.9580 111.6570 C.3 270 TRP270 0.0918 4095 HA 72.1814 67.9313 112.3923 H 270 TRP270 0.0560 4096 C 70.0980 68.2160 112.4520 C.2 270 TRP270 0.2190 4097 O 70.1510 68.8600 113.4990 O.2 270 TRP270 -0.2778 4098 CB 71.6014 69.1512 110.7122 C.3 270 TRP270 -0.0021 4099 HB1 71.3079 70.0892 111.1854 H 270 TRP270 0.0334 4100 HB2 71.0035 69.0523 109.8064 H 270 TRP270 0.0334 4101 CG 73.0630 69.2880 110.3551 C.ar 270 TRP270 -0.0260 4102 CD1 73.6264 69.1340 109.0858 C.ar 270 TRP270 -0.0136 4103 HD1 73.0879 68.8578 108.1897 H 270 TRP270 0.0748 4104 CD2 74.1359 69.6599 111.2438 C.ar 270 TRP270 -0.0028 4105 NE1 74.9530 69.4065 109.1571 N.ar 270 TRP270 -0.2641 4106 HE1 75.5782 69.3786 108.4012 H 270 TRP270 0.1331 4107 CE2 75.3072 69.7383 110.4583 C.ar 270 TRP270 0.0269 4108 CE3 74.1903 69.9211 112.5880 C.ar 270 TRP270 -0.0528 4109 HE3 73.2940 69.8553 113.1868 H 270 TRP270 0.0624 4110 CZ2 76.4966 70.0780 111.0414 C.ar 270 TRP270 -0.0430 4111 HZ2 77.3860 70.1181 110.4309 H 270 TRP270 0.0633 4112 CZ3 75.4023 70.2595 113.1887 C.ar 270 TRP270 -0.0611 4113 HZ3 75.4479 70.4483 114.2512 H 270 TRP270 0.0618 4114 CH2 76.5609 70.3230 112.4152 C.ar 270 TRP270 -0.0602 4115 HH2 77.5054 70.5503 112.8840 H 270 TRP270 0.0618 4116 N 68.9200 67.6940 112.0470 N.am 271 LEU271 -0.2456 4117 H 68.8910 67.1580 111.1800 H 271 LEU271 0.1312 4118 CA 67.6830 67.8710 112.8100 C.3 271 LEU271 0.0883 4119 HA 67.6038 68.9479 112.9608 H 271 LEU271 0.0557 4120 C 67.6670 67.2490 114.2090 C.2 271 LEU271 0.2214 4121 O 67.2130 67.9430 115.1240 O.2 271 LEU271 -0.2776 4122 CB 66.4740 67.4173 111.9630 C.3 271 LEU271 -0.0266 4123 HB1 66.5552 66.3557 111.7496 H 271 LEU271 0.0287 4124 HB2 66.5102 67.9118 110.9926 H 271 LEU271 0.0287 4125 CG 65.0898 67.6475 112.5998 C.3 271 LEU271 -0.0449 4126 HG 65.0704 67.1398 113.5630 H 271 LEU271 0.0296 4127 CD1 64.7851 69.1313 112.8357 C.3 271 LEU271 -0.0626 4128 HD11 63.8129 69.2601 113.3116 H 271 LEU271 0.0232 4129 HD12 64.7620 69.6757 111.8920 H 271 LEU271 0.0232 4130 HD13 65.5248 69.5957 113.4872 H 271 LEU271 0.0232 4131 CD2 63.9919 67.0137 111.7366 C.3 271 LEU271 -0.0626 4132 HD21 63.0119 67.1327 112.1995 H 271 LEU271 0.0232 4133 HD22 64.1658 65.9457 111.6018 H 271 LEU271 0.0232 4134 HD23 63.9538 67.4729 110.7483 H 271 LEU271 0.0232 4135 N 68.1520 66.0240 114.4900 N.am 272 PRO272 -0.2316 4136 CA 68.2980 65.5140 115.8530 C.3 272 PRO272 0.0907 4137 HA 67.2874 65.3413 116.2249 H 272 PRO272 0.0559 4138 C 69.0230 66.4470 116.7920 C.2 272 PRO272 0.2189 4139 O 68.5320 66.7250 117.8850 O.2 272 PRO272 -0.2778 4140 CB 69.0488 64.1916 115.6497 C.3 272 PRO272 -0.0276 4141 HB1 68.8004 63.4420 116.4011 H 272 PRO272 0.0285 4142 HB2 70.1274 64.3504 115.6708 H 272 PRO272 0.0285 4143 CG 68.6843 63.7606 114.2368 C.3 272 PRO272 -0.0379 4144 HG1 67.7100 63.2711 114.2406 H 272 PRO272 0.0278 4145 HG2 69.4068 63.0647 113.8133 H 272 PRO272 0.0278 4146 CD 68.5948 65.0756 113.4668 C.3 272 PRO272 0.0071 4147 HD1 69.5753 65.3952 113.1114 H 272 PRO272 0.0431 4148 HD2 67.8862 65.0199 112.6440 H 272 PRO272 0.0431 4149 N 70.1950 66.9560 116.3720 N.am 273 PHE273 -0.2453 4150 H 70.5380 66.6980 115.4470 H 273 PHE273 0.1312 4151 CA 70.9890 67.8550 117.1820 C.3 273 PHE273 0.0917 4152 HA 71.1565 67.3672 118.1423 H 273 PHE273 0.0560 4153 C 70.3000 69.1740 117.4650 C.2 273 PHE273 0.2190 4154 O 70.2600 69.6340 118.6030 O.2 273 PHE273 -0.2778 4155 CB 72.3265 68.1323 116.4624 C.3 273 PHE273 -0.0036 4156 HB1 72.1421 68.4687 115.4405 H 273 PHE273 0.0333 4157 HB2 72.9075 67.2177 116.3749 H 273 PHE273 0.0333 4158 CG 73.1323 69.1788 117.1900 C.ar 273 PHE273 -0.0454 4159 CD1 73.0575 70.5111 116.7953 C.ar 273 PHE273 -0.0585 4160 HD1 72.5075 70.7753 115.9063 H 273 PHE273 0.0620 4161 CD2 73.8059 68.8612 118.3631 C.ar 273 PHE273 -0.0585 4162 HD2 73.8526 67.8402 118.7037 H 273 PHE273 0.0620 4163 CE1 73.5754 71.5158 117.5966 C.ar 273 PHE273 -0.0615 4164 HE1 73.4322 72.5502 117.3208 H 273 PHE273 0.0618 4165 CE2 74.3703 69.8581 119.1426 C.ar 273 PHE273 -0.0615 4166 HE2 74.8864 69.5971 120.0544 H 273 PHE273 0.0618 4167 CZ 74.2309 71.1872 118.7726 C.ar 273 PHE273 -0.0617 4168 HZ 74.6214 71.9664 119.4057 H 273 PHE273 0.0618 4169 N 69.7460 69.8300 116.4350 N.am 274 PHE274 -0.2453 4170 H 69.7520 69.4080 115.5070 H 274 PHE274 0.1312 4171 CA 69.1410 71.1280 116.6250 C.3 274 PHE274 0.0917 4172 HA 69.8487 71.7019 117.2263 H 274 PHE274 0.0560 4173 C 67.8680 71.0890 117.4660 C.2 274 PHE274 0.2190 4174 O 67.6530 71.9740 118.2920 O.2 274 PHE274 -0.2778 4175 CB 68.9664 71.8395 115.2749 C.3 274 PHE274 -0.0036 4176 HB1 68.1826 72.5953 115.3341 H 274 PHE274 0.0333 4177 HB2 68.6586 71.1341 114.5016 H 274 PHE274 0.0333 4178 CG 70.2428 72.5415 114.8824 C.ar 274 PHE274 -0.0454 4179 CD1 70.5992 73.7276 115.5162 C.ar 274 PHE274 -0.0585 4180 HD1 69.9554 74.1467 116.2761 H 274 PHE274 0.0620 4181 CD2 71.0898 72.0248 113.9062 C.ar 274 PHE274 -0.0585 4182 HD2 70.8242 71.1230 113.3799 H 274 PHE274 0.0620 4183 CE1 71.7766 74.3821 115.1833 C.ar 274 PHE274 -0.0615 4184 HE1 72.0278 75.3107 115.6693 H 274 PHE274 0.0618 4185 CE2 72.2718 72.6775 113.5758 C.ar 274 PHE274 -0.0615 4186 HE2 72.9042 72.2932 112.7910 H 274 PHE274 0.0618 4187 CZ 72.6193 73.8564 114.2166 C.ar 274 PHE274 -0.0617 4188 HZ 73.5286 74.3744 113.9468 H 274 PHE274 0.0618 4189 N 67.0080 70.0500 117.3550 N.am 275 LEU275 -0.2456 4190 H 67.1200 69.3850 116.5900 H 275 LEU275 0.1312 4191 CA 65.9210 69.8650 118.3140 C.3 275 LEU275 0.0880 4192 HA 65.3349 70.7842 118.3254 H 275 LEU275 0.0557 4193 C 66.4080 69.6000 119.7390 C.2 275 LEU275 0.2187 4194 O 65.9150 70.2000 120.6930 O.2 275 LEU275 -0.2778 4195 CB 65.0623 68.6724 117.8548 C.3 275 LEU275 -0.0266 4196 HB1 64.3214 68.4246 118.6169 H 275 LEU275 0.0287 4197 HB2 65.7095 67.7974 117.7688 H 275 LEU275 0.0287 4198 CG 64.3350 68.8875 116.5152 C.3 275 LEU275 -0.0449 4199 HG 65.0471 69.2675 115.7827 H 275 LEU275 0.0296 4200 CD1 63.7978 67.5519 115.9857 C.3 275 LEU275 -0.0626 4201 HD11 63.2845 67.6815 115.0331 H 275 LEU275 0.0232 4202 HD12 63.0897 67.1079 116.6857 H 275 LEU275 0.0232 4203 HD13 64.6079 66.8378 115.8340 H 275 LEU275 0.0232 4204 CD2 63.1914 69.9036 116.6412 C.3 275 LEU275 -0.0626 4205 HD21 62.7115 70.0690 115.6764 H 275 LEU275 0.0232 4206 HD22 63.5432 70.8698 116.9988 H 275 LEU275 0.0232 4207 HD23 62.4292 69.5524 117.3370 H 275 LEU275 0.0232 4208 N 67.4410 68.7510 119.9260 N.am 276 ALA276 -0.2459 4209 H 67.8040 68.2420 119.1200 H 276 ALA276 0.1312 4210 CA 68.0600 68.5290 121.2210 C.3 276 ALA276 0.0850 4211 HA 67.2718 68.1762 121.8869 H 276 ALA276 0.0554 4212 C 68.6560 69.7920 121.8330 C.2 276 ALA276 0.2184 4213 O 68.4920 70.0740 123.0160 O.2 276 ALA276 -0.2778 4214 CB 69.1346 67.4464 121.0741 C.3 276 ALA276 -0.0411 4215 HB1 69.5972 67.2090 122.0326 H 276 ALA276 0.0249 4216 HB2 69.9226 67.7542 120.3861 H 276 ALA276 0.0249 4217 HB3 68.6977 66.5277 120.6829 H 276 ALA276 0.0249 4218 N 69.3310 70.6240 121.0270 N.am 277 ASN277 -0.2452 4219 H 69.4790 70.3410 120.0580 H 277 ASN277 0.1312 4220 CA 69.8630 71.9040 121.4540 C.3 277 ASN277 0.0957 4221 HA 70.5208 71.7018 122.2992 H 277 ASN277 0.0562 4222 C 68.7800 72.8920 121.9120 C.2 277 ASN277 0.2191 4223 O 68.9130 73.5490 122.9430 O.2 277 ASN277 -0.2778 4224 CB 70.6487 72.4756 120.2561 C.3 277 ASN277 0.0446 4225 HB1 69.9747 72.6969 119.4279 H 277 ASN277 0.0375 4226 HB2 71.3568 71.7316 119.8921 H 277 ASN277 0.0375 4227 CG 71.4494 73.7404 120.5991 C.2 277 ASN277 0.2000 4228 OD1 71.7940 73.9960 121.7433 O.2 277 ASN277 -0.2797 4229 ND2 71.7258 74.5140 119.5408 N.am 277 ASN277 -0.2723 4230 HD21 72.2373 75.3620 119.6751 H 277 ASN277 0.1266 4231 HD22 71.4216 74.2790 118.6181 H 277 ASN277 0.1266 4232 N 67.6410 72.9830 121.1940 N.am 278 VAL278 -0.2454 4233 H 67.5820 72.4890 120.3030 H 278 VAL278 0.1312 4234 CA 66.4880 73.7630 121.6440 C.3 278 VAL278 0.0901 4235 HA 66.8622 74.7685 121.8460 H 278 VAL278 0.0560 4236 C 65.8970 73.2520 122.9560 C.2 278 VAL278 0.2189 4237 O 65.6390 74.0230 123.8810 O.2 278 VAL278 -0.2778 4238 CB 65.4396 73.8381 120.5116 C.3 278 VAL278 -0.0227 4239 HB 65.2183 72.8199 120.1869 H 278 VAL278 0.0315 4240 CG1 64.1180 74.4824 120.9655 C.3 278 VAL278 -0.0608 4241 HG11 63.4254 74.5867 120.1300 H 278 VAL278 0.0233 4242 HG12 64.2869 75.4748 121.3854 H 278 VAL278 0.0233 4243 HG13 63.6161 73.8788 121.7214 H 278 VAL278 0.0233 4244 CG2 65.9888 74.6116 119.3020 C.3 278 VAL278 -0.0608 4245 HG21 65.2650 74.6213 118.4872 H 278 VAL278 0.0233 4246 HG22 66.9063 74.1726 118.9165 H 278 VAL278 0.0233 4247 HG23 66.2063 75.6474 119.5648 H 278 VAL278 0.0233 4248 N 65.7270 71.9230 123.1040 N.am 279 LEU279 -0.2456 4249 H 65.9150 71.3210 122.3020 H 279 LEU279 0.1312 4250 CA 65.2910 71.3000 124.3430 C.3 279 LEU279 0.0880 4251 HA 64.3454 71.7693 124.6147 H 279 LEU279 0.0557 4252 C 66.2580 71.5450 125.4990 C.2 279 LEU279 0.2187 4253 O 65.8450 71.8210 126.6220 O.2 279 LEU279 -0.2778 4254 CB 65.1016 69.7939 124.0978 C.3 279 LEU279 -0.0266 4255 HB1 64.9624 69.2665 125.0431 H 279 LEU279 0.0287 4256 HB2 66.0193 69.4000 123.6618 H 279 LEU279 0.0287 4257 CG 63.9226 69.4625 123.1644 C.3 279 LEU279 -0.0449 4258 HG 63.9687 70.1110 122.2894 H 279 LEU279 0.0296 4259 CD1 64.0221 68.0174 122.6602 C.3 279 LEU279 -0.0626 4260 HD11 63.1990 67.7794 121.9860 H 279 LEU279 0.0232 4261 HD12 63.9941 67.3081 123.4877 H 279 LEU279 0.0232 4262 HD13 64.9505 67.8567 122.1121 H 279 LEU279 0.0232 4263 CD2 62.5712 69.6988 123.8535 C.3 279 LEU279 -0.0626 4264 HD21 61.7454 69.4399 123.1905 H 279 LEU279 0.0232 4265 HD22 62.4417 70.7421 124.1393 H 279 LEU279 0.0232 4266 HD23 62.4772 69.0914 124.7542 H 279 LEU279 0.0232 4267 N 67.5820 71.4990 125.2440 N.am 280 ARG280 -0.2457 4268 H 67.8830 71.2220 124.3100 H 280 ARG280 0.1312 4269 CA 68.6030 71.8210 126.2240 C.3 280 ARG280 0.0879 4270 HA 68.4285 71.1561 127.0706 H 280 ARG280 0.0557 4271 C 68.4920 73.2550 126.7200 C.2 280 ARG280 0.2187 4272 O 68.5590 73.5050 127.9180 O.2 280 ARG280 -0.2778 4273 CB 69.9922 71.5756 125.5977 C.3 280 ARG280 -0.0258 4274 HB1 70.0662 72.1415 124.6692 H 280 ARG280 0.0286 4275 HB2 70.0865 70.5300 125.3064 H 280 ARG280 0.0286 4276 CG 71.1736 71.9771 126.5013 C.3 280 ARG280 -0.0154 4277 HG1 71.0999 73.0380 126.7435 H 280 ARG280 0.0299 4278 HG2 72.1074 71.8792 125.9466 H 280 ARG280 0.0299 4279 CD 71.2699 71.1516 127.7917 C.3 280 ARG280 0.1045 4280 HD1 71.8592 70.2487 127.6242 H 280 ARG280 0.0711 4281 HD2 70.2894 70.8416 128.1564 H 280 ARG280 0.0711 4282 NE 71.8462 71.9767 128.8535 N.pl3 280 ARG280 -0.4450 4283 HE 71.5459 72.9259 128.9551 H 280 ARG280 0.3153 4284 CZ 72.7428 71.5812 129.7472 C.cat 280 ARG280 0.5062 4285 NH1 73.3057 70.4050 129.7186 N.pl3 280 ARG280 -0.4573 4286 HH11 74.0067 70.2238 130.4193 H 280 ARG280 0.3114 4287 HH12 73.0487 69.7254 129.0397 H 280 ARG280 0.3114 4288 NH2 73.0908 72.3818 130.7039 N.pl3 280 ARG280 -0.4573 4289 HH21 73.6799 72.0286 131.4360 H 280 ARG280 0.3114 4290 HH22 72.8131 73.3455 130.7560 H 280 ARG280 0.3114 4291 N 68.2660 74.2250 125.8190 N.am 281 ALA281 -0.2459 4292 H 68.2620 73.9830 124.8280 H 281 ALA281 0.1312 4293 CA 68.0270 75.6020 126.2020 C.3 281 ALA281 0.0850 4294 HA 68.8830 75.9143 126.8025 H 281 ALA281 0.0554 4295 C 66.7600 75.8460 127.0130 C.2 281 ALA281 0.2184 4296 O 66.7890 76.5150 128.0420 O.2 281 ALA281 -0.2778 4297 CB 67.9686 76.4253 124.9092 C.3 281 ALA281 -0.0411 4298 HB1 67.9905 77.4964 125.1012 H 281 ALA281 0.0249 4299 HB2 67.0765 76.2021 124.3226 H 281 ALA281 0.0249 4300 HB3 68.8243 76.1942 124.2842 H 281 ALA281 0.0249 4301 N 65.6140 75.3040 126.5560 N.am 282 LEU282 -0.2457 4302 H 65.6510 74.7220 125.7190 H 282 LEU282 0.1312 4303 CA 64.3300 75.5100 127.2000 C.3 282 LEU282 0.0880 4304 HA 64.2815 76.5618 127.4845 H 282 LEU282 0.0557 4305 C 64.1460 74.7110 128.4750 C.2 282 LEU282 0.2185 4306 O 63.6100 75.2160 129.4560 O.2 282 LEU282 -0.2778 4307 CB 63.2195 75.1971 126.1825 C.3 282 LEU282 -0.0266 4308 HB1 62.2427 75.3185 126.6532 H 282 LEU282 0.0287 4309 HB2 63.2921 74.1460 125.8978 H 282 LEU282 0.0287 4310 CG 63.2728 76.0655 124.9072 C.3 282 LEU282 -0.0449 4311 HG 64.2555 75.9663 124.4476 H 282 LEU282 0.0296 4312 CD1 62.2494 75.5690 123.8793 C.3 282 LEU282 -0.0626 4313 HD11 62.3191 76.1357 122.9505 H 282 LEU282 0.0232 4314 HD12 61.2316 75.6677 124.2573 H 282 LEU282 0.0232 4315 HD13 62.4159 74.5186 123.6397 H 282 LEU282 0.0232 4316 CD2 63.0570 77.5561 125.2072 C.3 282 LEU282 -0.0626 4317 HD21 63.0306 78.1402 124.2871 H 282 LEU282 0.0232 4318 HD22 63.8612 77.9624 125.8206 H 282 LEU282 0.0232 4319 HD23 62.1159 77.7206 125.7323 H 282 LEU282 0.0232 4320 N 64.5700 73.4330 128.5090 N.am 283 GLY283 -0.2485 4321 H 65.0390 73.0300 127.6980 H 283 GLY283 0.1309 4322 CA 64.3580 72.6270 129.7040 C.3 283 GLY283 0.0765 4323 HA1 64.2029 71.6151 129.3490 H 283 GLY283 0.0521 4324 HA2 63.4600 72.9470 130.2350 H 283 GLY283 0.0521 4325 C 65.5340 72.6040 130.6250 C.2 283 GLY283 0.2153 4326 O 65.3850 72.7290 131.8360 O.2 283 GLY283 -0.2781 4327 N 66.7480 72.4350 130.0720 N.am 284 GLY284 -0.2487 4328 H 66.8070 72.3100 129.0610 H 284 GLY284 0.1309 4329 CA 67.9810 72.4210 130.8440 C.3 284 GLY284 0.0767 4330 HA1 67.7407 72.6452 131.8822 H 284 GLY284 0.0521 4331 HA2 68.6002 73.2304 130.4591 H 284 GLY284 0.0521 4332 C 68.7350 71.1160 130.7410 C.2 284 GLY284 0.2182 4333 O 68.4320 70.2660 129.8980 O.2 284 GLY284 -0.2779 4334 N 69.7600 70.9180 131.5710 N.am 285 PRO285 -0.2318 4335 CA 70.6050 69.7180 131.5590 C.3 285 PRO285 0.0907 4336 HA 71.0079 69.5942 130.5567 H 285 PRO285 0.0559 4337 C 69.8610 68.4540 131.9140 C.2 285 PRO285 0.2190 4338 O 70.2970 67.3660 131.5500 O.2 285 PRO285 -0.2778 4339 CB 71.6845 69.9891 132.6206 C.3 285 PRO285 -0.0276 4340 HB1 72.6259 70.2561 132.1554 H 285 PRO285 0.0285 4341 HB2 71.9108 69.1289 133.2534 H 285 PRO285 0.0285 4342 CG 71.1804 71.1667 133.4456 C.3 285 PRO285 -0.0379 4343 HG1 72.0008 71.8105 133.7596 H 285 PRO285 0.0278 4344 HG2 70.6839 70.7910 134.3407 H 285 PRO285 0.0278 4345 CD 70.1593 71.9021 132.5785 C.3 285 PRO285 0.0071 4346 HD1 69.3028 72.2188 133.1745 H 285 PRO285 0.0431 4347 HD2 70.5943 72.7533 132.0532 H 285 PRO285 0.0431 4348 N 68.7590 68.5770 132.6620 N.am 286 SER286 -0.2436 4349 H 68.5450 69.4990 133.0430 H 286 SER286 0.1312 4350 CA 67.8480 67.4940 132.9700 C.3 286 SER286 0.1109 4351 HA 68.4486 66.6806 133.3790 H 286 SER286 0.0580 4352 C 67.0940 66.9520 131.7750 C.2 286 SER286 0.2209 4353 O 66.9550 65.7430 131.6190 O.2 286 SER286 -0.2777 4354 CB 66.8496 67.9898 134.0269 C.3 286 SER286 0.0681 4355 HB1 67.3967 68.2228 134.9462 H 286 SER286 0.0577 4356 HB2 66.1262 67.2001 134.2613 H 286 SER286 0.0577 4357 OG 66.1845 69.1573 133.5569 O.3 286 SER286 -0.3930 4358 HG 65.5409 69.4747 134.1865 H 286 SER286 0.2095 4359 N 66.5800 67.8290 130.8910 N.am 287 LEU287 -0.2456 4360 H 66.6420 68.8270 131.0920 H 287 LEU287 0.1312 4361 CA 65.9400 67.3970 129.6590 C.3 287 LEU287 0.0880 4362 HA 65.2844 66.5686 129.9337 H 287 LEU287 0.0557 4363 C 66.9180 66.8050 128.6560 C.2 287 LEU287 0.2187 4364 O 66.6380 65.7950 128.0140 O.2 287 LEU287 -0.2778 4365 CB 65.0769 68.5107 129.0332 C.3 287 LEU287 -0.0266 4366 HB1 64.9810 68.3271 127.9613 H 287 LEU287 0.0287 4367 HB2 65.5703 69.4799 129.1216 H 287 LEU287 0.0287 4368 CG 63.6507 68.5540 129.6207 C.3 287 LEU287 -0.0449 4369 HG 63.2945 67.5277 129.7195 H 287 LEU287 0.0296 4370 CD1 63.6169 69.1777 131.0237 C.3 287 LEU287 -0.0626 4371 HD11 62.5945 69.2533 131.3940 H 287 LEU287 0.0232 4372 HD12 64.0495 70.1759 131.0361 H 287 LEU287 0.0232 4373 HD13 64.1729 68.5714 131.7379 H 287 LEU287 0.0232 4374 CD2 62.6626 69.2365 128.6618 C.3 287 LEU287 -0.0626 4375 HD21 61.6612 69.2720 129.0913 H 287 LEU287 0.0232 4376 HD22 62.5946 68.6863 127.7228 H 287 LEU287 0.0232 4377 HD23 62.9536 70.2537 128.4137 H 287 LEU287 0.0232 4378 N 68.0960 67.4390 128.4840 N.am 288 VAL288 -0.2454 4379 H 68.2890 68.2850 129.0210 H 288 VAL288 0.1312 4380 CA 69.1000 66.9460 127.5510 C.3 288 VAL288 0.0903 4381 HA 68.8286 65.9417 127.2315 H 288 VAL288 0.0560 4382 C 70.4630 66.9150 128.2160 C.2 288 VAL288 0.2216 4383 O 71.0560 67.9830 128.3920 O.2 288 VAL288 -0.2776 4384 CB 69.1186 67.8671 126.3096 C.3 288 VAL288 -0.0227 4385 HB 69.3772 68.8733 126.6395 H 288 VAL288 0.0315 4386 CG1 70.1639 67.4292 125.2671 C.3 288 VAL288 -0.0608 4387 HG11 70.1475 68.0885 124.3984 H 288 VAL288 0.0233 4388 HG12 69.9688 66.4150 124.9174 H 288 VAL288 0.0233 4389 HG13 71.1766 67.4532 125.6702 H 288 VAL288 0.0233 4390 CG2 67.7328 67.9534 125.6526 C.3 288 VAL288 -0.0608 4391 HG21 67.7777 68.5322 124.7339 H 288 VAL288 0.0233 4392 HG22 67.0042 68.4409 126.3007 H 288 VAL288 0.0233 4393 HG23 67.3515 66.9639 125.3997 H 288 VAL288 0.0233 4394 N 71.0680 65.7900 128.5760 N.am 289 PRO289 -0.2316 4395 CA 72.4020 65.7900 129.1600 C.3 289 PRO289 0.0907 4396 HA 72.4474 66.5567 129.9359 H 289 PRO289 0.0559 4397 C 73.4670 66.0550 128.1100 C.2 289 PRO289 0.2187 4398 O 73.2670 65.8080 126.9230 O.2 289 PRO289 -0.2778 4399 CB 72.4688 64.3842 129.7704 C.3 289 PRO289 -0.0276 4400 HB1 72.0169 64.4163 130.7628 H 289 PRO289 0.0285 4401 HB2 73.4711 63.9839 129.8995 H 289 PRO289 0.0285 4402 CG 71.5892 63.5239 128.8677 C.3 289 PRO289 -0.0379 4403 HG1 71.2116 62.6325 129.3689 H 289 PRO289 0.0278 4404 HG2 72.1667 63.2024 127.9998 H 289 PRO289 0.0278 4405 CD 70.4718 64.4660 128.4194 C.3 289 PRO289 0.0071 4406 HD1 70.1955 64.3018 127.3767 H 289 PRO289 0.0431 4407 HD2 69.5944 64.4184 129.0679 H 289 PRO289 0.0431 4408 N 74.6340 66.6010 128.5160 N.am 290 GLY290 -0.2484 4409 H 74.7680 66.7970 129.5080 H 290 GLY290 0.1309 4410 CA 75.7150 66.9210 127.5780 C.3 290 GLY290 0.0767 4411 HA1 76.5288 67.3308 128.1753 H 290 GLY290 0.0521 4412 HA2 75.3480 67.7188 126.9312 H 290 GLY290 0.0521 4413 C 76.2790 65.8110 126.7050 C.2 290 GLY290 0.2182 4414 O 76.6390 66.1330 125.5730 O.2 290 GLY290 -0.2779 4415 N 76.3730 64.5280 127.0640 N.am 291 PRO291 -0.2318 4416 CA 76.7960 63.4900 126.1220 C.3 291 PRO291 0.0907 4417 HA 77.7568 63.7938 125.7046 H 291 PRO291 0.0559 4418 C 75.8350 63.2860 124.9690 C.2 291 PRO291 0.2189 4419 O 76.2750 62.9110 123.8840 O.2 291 PRO291 -0.2778 4420 CB 76.9683 62.2325 126.9804 C.3 291 PRO291 -0.0276 4421 HB1 78.0135 62.1473 127.2802 H 291 PRO291 0.0285 4422 HB2 76.7038 61.3060 126.4685 H 291 PRO291 0.0285 4423 CG 76.1177 62.4854 128.2169 C.3 291 PRO291 -0.0379 4424 HG1 76.4712 61.9414 129.0930 H 291 PRO291 0.0278 4425 HG2 75.0929 62.1681 128.0188 H 291 PRO291 0.0278 4426 CD 76.1485 64.0003 128.4100 C.3 291 PRO291 0.0071 4427 HD1 75.2173 64.3322 128.8362 H 291 PRO291 0.0431 4428 HD2 76.9868 64.3226 129.0296 H 291 PRO291 0.0431 4429 N 74.5240 63.5270 125.1570 N.am 292 ALA292 -0.2459 4430 H 74.1860 63.7390 126.0960 H 292 ALA292 0.1312 4431 CA 73.5820 63.4920 124.0580 C.3 292 ALA292 0.0850 4432 HA 73.7028 62.5273 123.5617 H 292 ALA292 0.0554 4433 C 73.8450 64.5880 123.0360 C.2 292 ALA292 0.2184 4434 O 73.9050 64.3440 121.8360 O.2 292 ALA292 -0.2778 4435 CB 72.1586 63.6169 124.6176 C.3 292 ALA292 -0.0411 4436 HB1 71.4137 63.5273 123.8260 H 292 ALA292 0.0249 4437 HB2 72.0020 64.5749 125.1141 H 292 ALA292 0.0249 4438 HB3 71.9596 62.8325 125.3479 H 292 ALA292 0.0249 4439 N 74.1110 65.8200 123.5080 N.am 293 PHE293 -0.2453 4440 H 74.0190 65.9810 124.5110 H 293 PHE293 0.1312 4441 CA 74.5230 66.9370 122.6700 C.3 293 PHE293 0.0917 4442 HA 73.6946 67.1617 121.9965 H 293 PHE293 0.0560 4443 C 75.7890 66.6260 121.8550 C.2 293 PHE293 0.2190 4444 O 75.8470 66.8790 120.6540 O.2 293 PHE293 -0.2778 4445 CB 74.7696 68.0632 123.6862 C.3 293 PHE293 -0.0036 4446 HB1 75.6873 67.8926 124.2473 H 293 PHE293 0.0333 4447 HB2 73.9709 68.0640 124.4300 H 293 PHE293 0.0333 4448 CG 74.8126 69.4299 123.0826 C.ar 293 PHE293 -0.0454 4449 CD1 76.0285 70.0579 122.8451 C.ar 293 PHE293 -0.0585 4450 HD1 76.9466 69.5309 123.0513 H 293 PHE293 0.0620 4451 CD2 73.6303 70.1147 122.8427 C.ar 293 PHE293 -0.0585 4452 HD2 72.6768 69.6451 123.0380 H 293 PHE293 0.0620 4453 CE1 76.0663 71.3621 122.3739 C.ar 293 PHE293 -0.0615 4454 HE1 77.0141 71.8530 122.2147 H 293 PHE293 0.0618 4455 CE2 73.6674 71.4141 122.3712 C.ar 293 PHE293 -0.0615 4456 HE2 72.7433 71.9325 122.2010 H 293 PHE293 0.0618 4457 CZ 74.8813 72.0399 122.1329 C.ar 293 PHE293 -0.0617 4458 HZ 74.8971 73.0507 121.7557 H 293 PHE293 0.0618 4459 N 76.8240 66.0250 122.4800 N.am 294 LEU294 -0.2456 4460 H 76.7470 65.8350 123.4790 H 294 LEU294 0.1312 4461 CA 78.0440 65.6360 121.7910 C.3 294 LEU294 0.0880 4462 HA 78.4189 66.5301 121.2922 H 294 LEU294 0.0557 4463 C 77.8740 64.5720 120.7140 C.2 294 LEU294 0.2187 4464 O 78.3940 64.7120 119.6060 O.2 294 LEU294 -0.2778 4465 CB 79.0658 65.1396 122.8354 C.3 294 LEU294 -0.0266 4466 HB1 79.8658 64.5697 122.3580 H 294 LEU294 0.0287 4467 HB2 78.5630 64.4367 123.5011 H 294 LEU294 0.0287 4468 CG 79.7143 66.2668 123.6604 C.3 294 LEU294 -0.0449 4469 HG 78.9387 66.9726 123.9600 H 294 LEU294 0.0296 4470 CD1 80.3505 65.7126 124.9417 C.3 294 LEU294 -0.0626 4471 HD11 80.8027 66.5106 125.5313 H 294 LEU294 0.0232 4472 HD12 81.1322 64.9876 124.7124 H 294 LEU294 0.0232 4473 HD13 79.6085 65.2195 125.5694 H 294 LEU294 0.0232 4474 CD2 80.7743 67.0175 122.8390 C.3 294 LEU294 -0.0626 4475 HD21 81.2293 67.8165 123.4244 H 294 LEU294 0.0232 4476 HD22 80.3497 67.4660 121.9419 H 294 LEU294 0.0232 4477 HD23 81.5759 66.3472 122.5254 H 294 LEU294 0.0232 4478 N 77.1130 63.4890 120.9790 N.am 295 ALA295 -0.2459 4479 H 76.7220 63.3780 121.9140 H 295 ALA295 0.1312 4480 CA 76.8330 62.4760 119.9750 C.3 295 ALA295 0.0850 4481 HA 77.7938 62.1065 119.6132 H 295 ALA295 0.0554 4482 C 76.0550 63.0350 118.7910 C.2 295 ALA295 0.2184 4483 O 76.3400 62.7590 117.6270 O.2 295 ALA295 -0.2778 4484 CB 76.0430 61.3457 120.6439 C.3 295 ALA295 -0.0411 4485 HB1 75.8322 60.5375 119.9429 H 295 ALA295 0.0249 4486 HB2 75.0926 61.7069 121.0401 H 295 ALA295 0.0249 4487 HB3 76.6054 60.9237 121.4770 H 295 ALA295 0.0249 4488 N 75.0640 63.8910 119.0720 N.am 296 LEU296 -0.2457 4489 H 74.8420 64.0760 120.0500 H 296 LEU296 0.1312 4490 CA 74.2970 64.5630 118.0510 C.3 296 LEU296 0.0880 4491 HA 74.0186 63.7984 117.3251 H 296 LEU296 0.0557 4492 C 75.0620 65.6260 117.2510 C.2 296 LEU296 0.2187 4493 O 74.8670 65.7460 116.0450 O.2 296 LEU296 -0.2778 4494 CB 73.0202 65.1267 118.6872 C.3 296 LEU296 -0.0266 4495 HB1 72.4540 65.6619 117.9295 H 296 LEU296 0.0287 4496 HB2 73.2969 65.8510 119.4538 H 296 LEU296 0.0287 4497 CG 72.0958 64.0647 119.3148 C.3 296 LEU296 -0.0449 4498 HG 72.6602 63.4673 120.0282 H 296 LEU296 0.0296 4499 CD1 70.9586 64.7479 120.0833 C.3 296 LEU296 -0.0626 4500 HD11 70.3134 64.0153 120.5682 H 296 LEU296 0.0232 4501 HD12 70.3408 65.3459 119.4130 H 296 LEU296 0.0232 4502 HD13 71.3496 65.4080 120.8583 H 296 LEU296 0.0232 4503 CD2 71.5295 63.0954 118.2711 C.3 296 LEU296 -0.0626 4504 HD21 70.8326 62.3921 118.7274 H 296 LEU296 0.0232 4505 HD22 72.3134 62.5089 117.7930 H 296 LEU296 0.0232 4506 HD23 70.9945 63.6371 117.4964 H 296 LEU296 0.0232 4507 N 75.9970 66.4030 117.8520 N.am 297 ASN297 -0.2452 4508 H 76.0500 66.4170 118.8710 H 297 ASN297 0.1312 4509 CA 76.9330 67.2230 117.0770 C.3 297 ASN297 0.0957 4510 HA 76.2972 67.8446 116.4425 H 297 ASN297 0.0562 4511 C 77.8160 66.3890 116.1540 C.2 297 ASN297 0.2191 4512 O 78.0510 66.7590 115.0060 O.2 297 ASN297 -0.2778 4513 CB 77.7964 68.0686 118.0378 C.3 297 ASN297 0.0446 4514 HB1 78.8510 67.7897 118.0172 H 297 ASN297 0.0375 4515 HB2 77.4707 67.9309 119.0678 H 297 ASN297 0.0375 4516 CG 77.6890 69.5646 117.7281 C.2 297 ASN297 0.2000 4517 OD1 77.4361 70.3804 118.6032 O.2 297 ASN297 -0.2797 4518 ND2 77.8913 69.8791 116.4404 N.am 297 ASN297 -0.2723 4519 HD21 77.8197 70.8242 116.1217 H 297 ASN297 0.1266 4520 HD22 78.1221 69.1722 115.7712 H 297 ASN297 0.1266 4521 N 78.2990 65.2170 116.6130 N.am 298 TRP298 -0.2453 4522 H 78.1320 64.9700 117.5890 H 298 TRP298 0.1312 4523 CA 79.0460 64.2900 115.7810 C.3 298 TRP298 0.0918 4524 HA 79.9016 64.8452 115.4106 H 298 TRP298 0.0560 4525 C 78.2340 63.8000 114.5800 C.2 298 TRP298 0.2190 4526 O 78.7380 63.6540 113.4700 O.2 298 TRP298 -0.2778 4527 CB 79.5057 63.1231 116.6784 C.3 298 TRP298 -0.0021 4528 HB1 78.7352 62.3559 116.7606 H 298 TRP298 0.0334 4529 HB2 79.6661 63.4960 117.6907 H 298 TRP298 0.0334 4530 CG 80.8097 62.4872 116.2244 C.ar 298 TRP298 -0.0260 4531 CD1 81.3855 62.5136 114.9474 C.ar 298 TRP298 -0.0136 4532 HD1 80.9844 63.0056 114.0747 H 298 TRP298 0.0748 4533 CD2 81.7062 61.7156 117.0519 C.ar 298 TRP298 -0.0028 4534 NE1 82.5491 61.8180 114.9629 N.ar 298 TRP298 -0.2641 4535 HE1 83.1378 61.6858 114.1906 H 298 TRP298 0.1331 4536 CE2 82.7812 61.3038 116.2308 C.ar 298 TRP298 0.0269 4537 CE3 81.6762 61.3535 118.3731 C.ar 298 TRP298 -0.0528 4538 HE3 80.8575 61.6727 119.0013 H 298 TRP298 0.0624 4539 CZ2 83.7869 60.5369 116.7527 C.ar 298 TRP298 -0.0430 4540 HZ2 84.6022 60.2269 116.1170 H 298 TRP298 0.0633 4541 CZ3 82.6995 60.5704 118.9082 C.ar 298 TRP298 -0.0611 4542 HZ3 82.6770 60.2837 119.9497 H 298 TRP298 0.0618 4543 CH2 83.7550 60.1585 118.0961 C.ar 298 TRP298 -0.0602 4544 HH2 84.5441 59.5508 118.5129 H 298 TRP298 0.0618 4545 N 76.9170 63.6070 114.7500 N.am 299 LEU299 -0.2456 4546 H 76.5360 63.6680 115.6940 H 299 LEU299 0.1312 4547 CA 76.0070 63.3150 113.6550 C.3 299 LEU299 0.0880 4548 HA 76.3835 62.3995 113.1991 H 299 LEU299 0.0557 4549 C 76.0000 64.4050 112.5780 C.2 299 LEU299 0.2185 4550 O 76.0950 64.1380 111.3810 O.2 299 LEU299 -0.2778 4551 CB 74.6020 63.0888 114.2401 C.3 299 LEU299 -0.0266 4552 HB1 74.1395 64.0525 114.4536 H 299 LEU299 0.0287 4553 HB2 74.6799 62.5820 115.2029 H 299 LEU299 0.0287 4554 CG 73.6777 62.2707 113.3260 C.3 299 LEU299 -0.0449 4555 HG 73.7885 62.6498 112.3118 H 299 LEU299 0.0296 4556 CD1 74.0601 60.7845 113.3082 C.3 299 LEU299 -0.0626 4557 HD11 73.3926 60.2202 112.6564 H 299 LEU299 0.0232 4558 HD12 73.9963 60.3497 114.3060 H 299 LEU299 0.0232 4559 HD13 75.0747 60.6331 112.9415 H 299 LEU299 0.0232 4560 CD2 72.2115 62.4400 113.7479 C.3 299 LEU299 -0.0626 4561 HD21 71.5491 61.8705 113.0960 H 299 LEU299 0.0232 4562 HD22 71.9031 63.4846 113.6982 H 299 LEU299 0.0232 4563 HD23 72.0516 62.0952 114.7697 H 299 LEU299 0.0232 4564 N 75.9930 65.6920 112.9730 N.am 300 GLY300 -0.2485 4565 H 75.8650 65.9060 113.9620 H 300 GLY300 0.1309 4566 CA 76.1630 66.7910 112.0280 C.3 300 GLY300 0.0765 4567 HA1 76.0019 67.6889 112.6110 H 300 GLY300 0.0521 4568 HA2 75.3809 66.7171 111.2708 H 300 GLY300 0.0521 4569 C 77.5170 66.8660 111.3690 C.2 300 GLY300 0.2155 4570 O 77.6500 67.2580 110.2150 O.2 300 GLY300 -0.2781 4571 N 78.5820 66.4490 112.0710 N.am 301 TYR301 -0.2456 4572 H 78.4540 66.1810 113.0470 H 301 TYR301 0.1312 4573 CA 79.9110 66.3650 111.4910 C.3 301 TYR301 0.0917 4574 HA 80.0717 67.2867 110.9272 H 301 TYR301 0.0560 4575 C 80.0100 65.2130 110.5010 C.2 301 TYR301 0.2190 4576 O 80.7210 65.2770 109.5000 O.2 301 TYR301 -0.2778 4577 CB 81.0028 66.2132 112.5529 C.3 301 TYR301 -0.0036 4578 HB1 81.9473 66.3143 112.0295 H 301 TYR301 0.0333 4579 HB2 80.9707 65.2088 112.9782 H 301 TYR301 0.0333 4580 CG 80.9890 67.2132 113.6854 C.ar 301 TYR301 -0.0453 4581 CD1 80.4929 68.5090 113.5432 C.ar 301 TYR301 -0.0561 4582 HD1 80.0844 68.8375 112.6005 H 301 TYR301 0.0621 4583 CD2 81.5208 66.8382 114.9151 C.ar 301 TYR301 -0.0561 4584 HD2 81.9395 65.8507 115.0460 H 301 TYR301 0.0621 4585 CE1 80.4968 69.3918 114.6185 C.ar 301 TYR301 -0.0317 4586 HE1 80.1133 70.3956 114.5037 H 301 TYR301 0.0643 4587 CE2 81.4751 67.6975 116.0011 C.ar 301 TYR301 -0.0317 4588 HE2 81.8360 67.3753 116.9625 H 301 TYR301 0.0643 4589 CZ 80.9666 68.9752 115.8566 C.ar 301 TYR301 0.0726 4590 OH 80.9343 69.8184 116.9479 O.3 301 TYR301 -0.3598 4591 HH 80.9620 70.7218 116.6454 H 301 TYR301 0.2173 4592 N 79.2390 64.1360 110.7260 N.am 302 ALA302 -0.2459 4593 H 78.7750 64.0550 111.6310 H 302 ALA302 0.1312 4594 CA 79.0320 63.0870 109.7560 C.3 302 ALA302 0.0850 4595 HA 80.0270 62.7326 109.4819 H 302 ALA302 0.0554 4596 C 78.3580 63.5770 108.4680 C.2 302 ALA302 0.2184 4597 O 78.7490 63.1910 107.3740 O.2 302 ALA302 -0.2778 4598 CB 78.2501 61.9290 110.3869 C.3 302 ALA302 -0.0411 4599 HB1 78.2289 61.0659 109.7213 H 302 ALA302 0.0249 4600 HB2 77.2183 62.1987 110.6018 H 302 ALA302 0.0249 4601 HB3 78.7123 61.6138 111.3225 H 302 ALA302 0.0249 4602 N 77.3880 64.5140 108.5380 N.am 303 ASN303 -0.2452 4603 H 77.0110 64.7640 109.4520 H 303 ASN303 0.1312 4604 CA 76.8560 65.1860 107.3480 C.3 303 ASN303 0.0957 4605 HA 76.3991 64.4176 106.7257 H 303 ASN303 0.0562 4606 C 77.9200 65.9210 106.5300 C.2 303 ASN303 0.2192 4607 O 77.9600 65.8220 105.3050 O.2 303 ASN303 -0.2778 4608 CB 75.8164 66.2366 107.7779 C.3 303 ASN303 0.0446 4609 HB1 76.2808 67.0738 108.2958 H 303 ASN303 0.0375 4610 HB2 75.1197 65.8003 108.4798 H 303 ASN303 0.0375 4611 CG 75.0108 66.7839 106.5897 C.2 303 ASN303 0.2000 4612 OD1 74.0749 66.1634 106.1102 O.2 303 ASN303 -0.2797 4613 ND2 75.4290 67.9782 106.1471 N.am 303 ASN303 -0.2723 4614 HD21 74.9719 68.4034 105.3671 H 303 ASN303 0.1266 4615 HD22 76.2035 68.4521 106.5666 H 303 ASN303 0.1266 4616 N 78.8350 66.6420 107.1930 N.am 304 SER304 -0.2436 4617 H 78.7320 66.7460 108.2020 H 304 SER304 0.1312 4618 CA 79.9710 67.2860 106.5420 C.3 304 SER304 0.1109 4619 HA 79.5688 67.9407 105.7664 H 304 SER304 0.0580 4620 C 80.9330 66.3120 105.8780 C.2 304 SER304 0.2209 4621 O 81.5950 66.6280 104.8910 O.2 304 SER304 -0.2777 4622 CB 80.7453 68.1065 107.5876 C.3 304 SER304 0.0681 4623 HB1 81.6174 68.6010 107.1408 H 304 SER304 0.0577 4624 HB2 81.1435 67.4450 108.3562 H 304 SER304 0.0577 4625 OG 79.9192 69.0514 108.2475 O.3 304 SER304 -0.3930 4626 HG 79.6817 69.7414 107.6225 H 304 SER304 0.2095 4627 N 81.0260 65.0690 106.3860 N.am 305 ALA305 -0.2459 4628 H 80.6280 64.8850 107.3070 H 305 ALA305 0.1312 4629 CA 81.6700 63.9820 105.6750 C.3 305 ALA305 0.0850 4630 HA 82.6600 64.3432 105.3943 H 305 ALA305 0.0554 4631 C 80.9530 63.5460 104.3990 C.2 305 ALA305 0.2184 4632 O 81.5720 63.2680 103.3740 O.2 305 ALA305 -0.2778 4633 CB 81.8139 62.7757 106.6149 C.3 305 ALA305 -0.0411 4634 HB1 82.5383 62.0616 106.2221 H 305 ALA305 0.0249 4635 HB2 80.8723 62.2455 106.7504 H 305 ALA305 0.0249 4636 HB3 82.1507 63.0813 107.6039 H 305 ALA305 0.0249 4637 N 79.6110 63.4600 104.4400 N.am 306 PHE306 -0.2453 4638 H 79.1400 63.7170 105.3080 H 306 PHE306 0.1312 4639 CA 78.7920 63.0230 103.3230 C.3 306 PHE306 0.0917 4640 HA 79.2726 62.1383 102.9044 H 306 PHE306 0.0560 4641 C 78.6730 64.0290 102.1890 C.2 306 PHE306 0.2190 4642 O 78.6900 63.6430 101.0230 O.2 306 PHE306 -0.2778 4643 CB 77.3726 62.6762 103.8181 C.3 306 PHE306 -0.0036 4644 HB1 76.7802 62.2760 102.9951 H 306 PHE306 0.0333 4645 HB2 76.8743 63.5923 104.1420 H 306 PHE306 0.0333 4646 CG 77.3090 61.6834 104.9564 C.ar 306 PHE306 -0.0454 4647 CD1 78.2673 60.6844 105.1290 C.ar 306 PHE306 -0.0585 4648 HD1 79.0981 60.5906 104.4468 H 306 PHE306 0.0620 4649 CD2 76.2475 61.7484 105.8560 C.ar 306 PHE306 -0.0585 4650 HD2 75.4820 62.5019 105.7357 H 306 PHE306 0.0620 4651 CE1 78.1872 59.8025 106.1991 C.ar 306 PHE306 -0.0615 4652 HE1 78.9458 59.0452 106.3305 H 306 PHE306 0.0618 4653 CE2 76.1645 60.8685 106.9265 C.ar 306 PHE306 -0.0615 4654 HE2 75.3440 60.9466 107.6247 H 306 PHE306 0.0618 4655 CZ 77.1380 59.8965 107.1019 C.ar 306 PHE306 -0.0617 4656 HZ 77.0774 59.2153 107.9376 H 306 PHE306 0.0618 4657 N 78.5590 65.3410 102.4890 N.am 307 ASN307 -0.2452 4658 H 78.6290 65.5990 103.4730 H 307 ASN307 0.1312 4659 CA 78.3440 66.4270 101.5300 C.3 307 ASN307 0.0959 4660 HA 77.3067 66.3076 101.2165 H 307 ASN307 0.0562 4661 C 79.1410 66.3930 100.2110 C.2 307 ASN307 0.2218 4662 O 78.5080 66.6240 99.1720 O.2 307 ASN307 -0.2776 4663 CB 78.5221 67.7861 102.2478 C.3 307 ASN307 0.0446 4664 HB1 78.7220 68.5947 101.5445 H 307 ASN307 0.0375 4665 HB2 79.3694 67.7521 102.9334 H 307 ASN307 0.0375 4666 CG 77.2614 68.1857 103.0345 C.2 307 ASN307 0.2000 4667 OD1 76.1468 67.7779 102.7252 O.2 307 ASN307 -0.2797 4668 ND2 77.5058 69.0103 104.0615 N.am 307 ASN307 -0.2723 4669 HD21 76.7732 69.3417 104.6505 H 307 ASN307 0.1266 4670 HD22 78.4397 69.3254 104.2542 H 307 ASN307 0.1266 4671 N 80.4480 66.0780 100.1260 N.am 308 PRO308 -0.2316 4672 CA 81.1530 65.8230 98.8660 C.3 308 PRO308 0.0907 4673 HA 81.2484 66.7880 98.3671 H 308 PRO308 0.0559 4674 C 80.5040 64.8250 97.9250 C.2 308 PRO308 0.2189 4675 O 80.8070 64.8440 96.7380 O.2 308 PRO308 -0.2778 4676 CB 82.5205 65.2995 99.3280 C.3 308 PRO308 -0.0276 4677 HB1 83.3244 65.5524 98.6360 H 308 PRO308 0.0285 4678 HB2 82.5072 64.2137 99.4405 H 308 PRO308 0.0285 4679 CG 82.7166 65.9204 100.7024 C.3 308 PRO308 -0.0379 4680 HG1 83.1005 66.9258 100.5599 H 308 PRO308 0.0278 4681 HG2 83.4227 65.3748 101.3291 H 308 PRO308 0.0278 4682 CD 81.3124 65.9870 101.3019 C.3 308 PRO308 0.0071 4683 HD1 81.0727 65.0685 101.8292 H 308 PRO308 0.0431 4684 HD2 81.1732 66.8537 101.9504 H 308 PRO308 0.0431 4685 N 79.6260 63.9290 98.3990 N.am 309 LEU309 -0.2456 4686 H 79.3870 63.9480 99.3900 H 309 LEU309 0.1312 4687 CA 79.0080 62.9360 97.5460 C.3 309 LEU309 0.0880 4688 HA 79.6478 62.7587 96.6805 H 309 LEU309 0.0557 4689 C 77.6350 63.3520 97.0430 C.2 309 LEU309 0.2187 4690 O 77.0930 62.7840 96.0970 O.2 309 LEU309 -0.2778 4691 CB 78.8740 61.6374 98.3651 C.3 309 LEU309 -0.0266 4692 HB1 78.4974 60.8382 97.7255 H 309 LEU309 0.0287 4693 HB2 78.1230 61.7807 99.1437 H 309 LEU309 0.0287 4694 CG 80.1782 61.1723 99.0438 C.3 309 LEU309 -0.0449 4695 HG 80.5256 61.9540 99.7213 H 309 LEU309 0.0296 4696 CD1 79.9209 59.9322 99.9085 C.3 309 LEU309 -0.0626 4697 HD11 80.8294 59.6183 100.4232 H 309 LEU309 0.0232 4698 HD12 79.5716 59.0940 99.3053 H 309 LEU309 0.0232 4699 HD13 79.1668 60.1361 100.6695 H 309 LEU309 0.0232 4700 CD2 81.2946 60.9032 98.0258 C.3 309 LEU309 -0.0626 4701 HD21 82.1957 60.5438 98.5234 H 309 LEU309 0.0232 4702 HD22 81.5666 61.8085 97.4830 H 309 LEU309 0.0232 4703 HD23 80.9926 60.1499 97.2981 H 309 LEU309 0.0232 4704 N 77.0050 64.3710 97.6470 N.am 310 ILE310 -0.2454 4705 H 77.4840 64.8850 98.3870 H 310 ILE310 0.1312 4706 CA 75.6560 64.7600 97.2720 C.3 310 ILE310 0.0903 4707 HA 75.1694 63.8823 96.8447 H 310 ILE310 0.0560 4708 C 75.6650 65.7750 96.1540 C.2 310 ILE310 0.2189 4709 O 74.8930 65.6610 95.1970 O.2 310 ILE310 -0.2778 4710 CB 74.8154 65.1491 98.5087 C.3 310 ILE310 -0.0201 4711 HB 75.3793 65.8626 99.1132 H 310 ILE310 0.0318 4712 CG1 74.5072 63.8930 99.3570 C.3 310 ILE310 -0.0514 4713 HG11 74.3512 63.0262 98.7143 H 310 ILE310 0.0266 4714 HG12 73.5563 64.0164 99.8700 H 310 ILE310 0.0266 4715 CG2 73.4874 65.8282 98.1230 C.3 310 ILE310 -0.0605 4716 HG21 72.9184 66.0938 99.0145 H 310 ILE310 0.0233 4717 HG22 72.8660 65.1683 97.5171 H 310 ILE310 0.0233 4718 HG23 73.6459 66.7515 97.5665 H 310 ILE310 0.0233 4719 CD1 75.5791 63.5639 100.4008 C.3 310 ILE310 -0.0650 4720 HD11 75.2929 62.6902 100.9851 H 310 ILE310 0.0230 4721 HD12 75.7318 64.3941 101.0913 H 310 ILE310 0.0230 4722 HD13 76.5332 63.3341 99.9342 H 310 ILE310 0.0230 4723 N 76.5530 66.7800 96.2310 N.am 311 TYR311 -0.2453 4724 H 77.2810 66.7390 96.9440 H 311 TYR311 0.1312 4725 CA 76.5150 67.9220 95.3370 C.3 311 TYR311 0.0917 4726 HA 75.5266 67.9870 94.8800 H 311 TYR311 0.0560 4727 C 77.5260 67.8200 94.2040 C.2 311 TYR311 0.2190 4728 O 77.5830 68.6910 93.3420 O.2 311 TYR311 -0.2778 4729 CB 76.7757 69.1955 96.1627 C.3 311 TYR311 -0.0036 4730 HB1 76.9628 70.0534 95.5141 H 311 TYR311 0.0333 4731 HB2 77.6702 69.0793 96.7778 H 311 TYR311 0.0333 4732 CG 75.5955 69.5193 97.0393 C.ar 311 TYR311 -0.0453 4733 CD1 75.5027 69.0030 98.3290 C.ar 311 TYR311 -0.0561 4734 HD1 76.2974 68.3879 98.7289 H 311 TYR311 0.0621 4735 CD2 74.5670 70.3243 96.5567 C.ar 311 TYR311 -0.0561 4736 HD2 74.6359 70.7530 95.5683 H 311 TYR311 0.0621 4737 CE1 74.3860 69.2645 99.1119 C.ar 311 TYR311 -0.0317 4738 HE1 74.3235 68.8581 100.1114 H 311 TYR311 0.0643 4739 CE2 73.4553 70.5968 97.3428 C.ar 311 TYR311 -0.0317 4740 HE2 72.6648 71.2346 96.9752 H 311 TYR311 0.0643 4741 CZ 73.3613 70.0602 98.6169 C.ar 311 TYR311 0.0726 4742 OH 72.2532 70.3350 99.3897 O.3 311 TYR311 -0.3598 4743 HH 72.4242 70.0793 100.2881 H 311 TYR311 0.2173 4744 N 78.3050 66.7210 94.1450 N.am 312 CYS312 -0.2449 4745 H 78.1040 65.9530 94.7850 H 312 CYS312 0.1312 4746 CA 79.4200 66.5710 93.2150 C.3 312 CYS312 0.0965 4747 HA 79.3618 67.3820 92.4916 H 312 CYS312 0.0565 4748 C 79.3200 65.2810 92.4190 C.2 312 CYS312 0.2195 4749 O 80.2980 64.5950 92.1380 O.2 312 CYS312 -0.2778 4750 CB 80.7552 66.6889 93.9618 C.3 312 CYS312 0.0147 4751 HB1 81.5848 66.6921 93.2539 H 312 CYS312 0.0394 4752 HB2 80.9068 65.8258 94.6051 H 312 CYS312 0.0394 4753 SG 80.8535 68.1939 94.9674 S.3 312 CYS312 -0.1762 4754 HG 82.0016 68.2096 95.6498 H 312 CYS312 0.1017 4755 N 78.0890 64.9060 92.0290 N.am 313 ARG313 -0.2456 4756 H 77.3070 65.5300 92.2280 H 313 ARG313 0.1312 4757 CA 77.8160 63.6550 91.3370 C.3 313 ARG313 0.0879 4758 HA 78.6330 62.9586 91.5355 H 313 ARG313 0.0557 4759 C 77.6750 63.7880 89.8320 C.2 313 ARG313 0.2187 4760 O 77.3770 62.8040 89.1470 O.2 313 ARG313 -0.2778 4761 CB 76.4857 63.0689 91.8569 C.3 313 ARG313 -0.0258 4762 HB1 76.1875 62.2078 91.2564 H 313 ARG313 0.0286 4763 HB2 75.6917 63.8090 91.7444 H 313 ARG313 0.0286 4764 CG 76.5549 62.6075 93.3119 C.3 313 ARG313 -0.0154 4765 HG1 76.8393 63.4617 93.9245 H 313 ARG313 0.0299 4766 HG2 77.3508 61.8695 93.4183 H 313 ARG313 0.0299 4767 CD 75.2320 62.0046 93.8192 C.3 313 ARG313 0.1045 4768 HD1 75.3934 61.4410 94.7420 H 313 ARG313 0.0711 4769 HD2 74.7859 61.3328 93.0835 H 313 ARG313 0.0711 4770 NE 74.3174 63.0922 94.1520 N.pl3 313 ARG313 -0.4450 4771 HE 74.7381 63.8848 94.5886 H 313 ARG313 0.3153 4772 CZ 73.0033 63.1589 93.9643 C.cat 313 ARG313 0.5062 4773 NH1 72.3247 62.1911 93.4065 N.pl3 313 ARG313 -0.4573 4774 HH11 71.3422 62.2870 93.2509 H 313 ARG313 0.3114 4775 HH12 72.7901 61.3527 93.1404 H 313 ARG313 0.3114 4776 NH2 72.3775 64.2338 94.3591 N.pl3 313 ARG313 -0.4573 4777 HH21 71.3888 64.3090 94.2541 H 313 ARG313 0.3114 4778 HH22 72.9022 64.9775 94.7722 H 313 ARG313 0.3114 4779 N 77.8580 64.9880 89.2580 N.am 314 SER314 -0.2436 4780 H 78.0700 65.7930 89.8480 H 314 SER314 0.1312 4781 CA 77.7630 65.1730 87.8170 C.3 314 SER314 0.1111 4782 HA 76.7894 64.7764 87.5369 H 314 SER314 0.0580 4783 C 78.8630 64.4490 87.0460 C.2 314 SER314 0.2236 4784 O 79.9250 64.1760 87.6130 O.2 314 SER314 -0.2775 4785 CB 77.8054 66.6721 87.4747 C.3 314 SER314 0.0681 4786 HB1 76.9874 67.1834 87.9922 H 314 SER314 0.0577 4787 HB2 77.6487 66.8135 86.3981 H 314 SER314 0.0577 4788 OG 79.0475 67.2358 87.8718 O.3 314 SER314 -0.3930 4789 HG 79.1148 68.1502 87.5976 H 314 SER314 0.2095 4790 N 78.6910 64.0760 85.7740 N.am 315 PRO315 -0.2315 4791 CA 79.7770 63.5170 84.9750 C.3 315 PRO315 0.0907 4792 HA 80.0828 62.5786 85.4290 H 315 PRO315 0.0559 4793 C 80.9600 64.4480 84.8470 C.2 315 PRO315 0.2189 4794 O 82.0790 63.9580 84.7720 O.2 315 PRO315 -0.2778 4795 CB 79.1293 63.2939 83.5972 C.3 315 PRO315 -0.0276 4796 HB1 79.4869 62.3873 83.1088 H 315 PRO315 0.0285 4797 HB2 79.3371 64.1268 82.9208 H 315 PRO315 0.0285 4798 CG 77.6269 63.2656 83.8570 C.3 315 PRO315 -0.0379 4799 HG1 77.3228 62.2529 84.1229 H 315 PRO315 0.0278 4800 HG2 77.0438 63.5711 82.9874 H 315 PRO315 0.0278 4801 CD 77.4251 64.1920 85.0534 C.3 315 PRO315 0.0071 4802 HD1 77.3132 65.2341 84.7482 H 315 PRO315 0.0431 4803 HD2 76.5847 63.8726 85.6686 H 315 PRO315 0.0431 4804 N 80.7540 65.7720 84.8460 N.am 316 ASP316 -0.2451 4805 H 79.7900 66.1040 84.8110 H 316 ASP316 0.1312 4806 CA 81.8080 66.7600 84.8910 C.3 316 ASP316 0.0974 4807 HA 82.4611 66.5467 84.0474 H 316 ASP316 0.0563 4808 C 82.6670 66.7110 86.1410 C.2 316 ASP316 0.2192 4809 O 83.8910 66.7750 86.0590 O.2 316 ASP316 -0.2778 4810 CB 81.1801 68.1537 84.7209 C.3 316 ASP316 0.0576 4811 HB1 81.8834 68.9412 84.9949 H 316 ASP316 0.0394 4812 HB2 80.2924 68.2770 85.3359 H 316 ASP316 0.0394 4813 CG 80.7932 68.3592 83.2547 C.2 316 ASP316 0.1780 4814 OD1 80.2234 67.4625 82.6431 O.co2 316 ASP316 -0.6478 4815 OD2 81.0974 69.4069 82.7048 O.co2 316 ASP316 -0.6478 4816 N 82.0630 66.5740 87.3420 N.am 317 PHE317 -0.2453 4817 H 81.0470 66.6370 87.4030 H 317 PHE317 0.1312 4818 CA 82.8380 66.3380 88.5480 C.3 317 PHE317 0.0917 4819 HA 83.6149 67.1012 88.5982 H 317 PHE317 0.0560 4820 C 83.5350 64.9960 88.5020 C.2 317 PHE317 0.2190 4821 O 84.7210 64.8900 88.7810 O.2 317 PHE317 -0.2778 4822 CB 81.9119 66.4011 89.7810 C.3 317 PHE317 -0.0036 4823 HB1 82.2500 65.7178 90.5612 H 317 PHE317 0.0333 4824 HB2 80.9040 66.0742 89.5221 H 317 PHE317 0.0333 4825 CG 81.8770 67.7670 90.4127 C.ar 317 PHE317 -0.0454 4826 CD1 83.0144 68.2638 91.0395 C.ar 317 PHE317 -0.0585 4827 HD1 83.9341 67.6973 91.0173 H 317 PHE317 0.0620 4828 CD2 80.7041 68.5135 90.4616 C.ar 317 PHE317 -0.0585 4829 HD2 79.7967 68.1273 90.0291 H 317 PHE317 0.0620 4830 CE1 82.9769 69.4712 91.7188 C.ar 317 PHE317 -0.0615 4831 HE1 83.8615 69.8177 92.2280 H 317 PHE317 0.0618 4832 CE2 80.6686 69.7354 91.1205 C.ar 317 PHE317 -0.0615 4833 HE2 79.7526 70.3072 91.1576 H 317 PHE317 0.0618 4834 CZ 81.8055 70.2130 91.7547 C.ar 317 PHE317 -0.0617 4835 HZ 81.7751 71.1581 92.2758 H 317 PHE317 0.0618 4836 N 82.8160 63.9420 88.0800 N.am 318 ARG318 -0.2456 4837 H 81.8460 64.0930 87.8050 H 318 ARG318 0.1312 4838 CA 83.3550 62.6030 87.9980 C.3 318 ARG318 0.0879 4839 HA 83.7543 62.3708 88.9869 H 318 ARG318 0.0557 4840 C 84.5040 62.4530 87.0060 C.2 318 ARG318 0.2187 4841 O 85.4150 61.6680 87.2250 O.2 318 ARG318 -0.2778 4842 CB 82.2028 61.6623 87.6643 C.3 318 ARG318 -0.0258 4843 HB1 81.7923 61.9296 86.6914 H 318 ARG318 0.0286 4844 HB2 81.4312 61.8590 88.4055 H 318 ARG318 0.0286 4845 CG 82.5764 60.1722 87.6835 C.3 318 ARG318 -0.0154 4846 HG1 82.9890 59.9099 88.6586 H 318 ARG318 0.0299 4847 HG2 83.3719 59.9853 86.9611 H 318 ARG318 0.0299 4848 CD 81.3938 59.2506 87.3523 C.3 318 ARG318 0.1045 4849 HD1 81.7361 58.2136 87.3112 H 318 ARG318 0.0711 4850 HD2 80.9549 59.4773 86.3779 H 318 ARG318 0.0711 4851 NE 80.3680 59.3139 88.3997 N.pl3 318 ARG318 -0.4450 4852 HE 80.4481 58.6557 89.1472 H 318 ARG318 0.3153 4853 CZ 79.3611 60.1858 88.4388 C.cat 318 ARG318 0.5062 4854 NH1 78.5339 60.1672 89.4449 N.pl3 318 ARG318 -0.4573 4855 HH11 77.8018 60.8457 89.4724 H 318 ARG318 0.3114 4856 HH12 78.6391 59.4902 90.1686 H 318 ARG318 0.3114 4857 NH2 79.1742 61.0721 87.5000 N.pl3 318 ARG318 -0.4573 4858 HH21 78.4323 61.7376 87.5690 H 318 ARG318 0.3114 4859 HH22 79.7895 61.0881 86.7170 H 318 ARG318 0.3114 4860 N 84.4980 63.1970 85.8810 N.am 319 SER319 -0.2436 4861 H 83.6930 63.7930 85.6880 H 319 SER319 0.1312 4862 CA 85.6030 63.1770 84.9330 C.3 319 SER319 0.1109 4863 HA 85.9693 62.1513 84.8612 H 319 SER319 0.0580 4864 C 86.7700 64.0620 85.3220 C.2 319 SER319 0.2209 4865 O 87.8580 63.9290 84.7710 O.2 319 SER319 -0.2777 4866 CB 85.0705 63.6469 83.5683 C.3 319 SER319 0.0681 4867 HB1 84.2204 63.0297 83.2710 H 319 SER319 0.0577 4868 HB2 85.8370 63.5063 82.8034 H 319 SER319 0.0577 4869 OG 84.6637 65.0071 83.5297 O.3 319 SER319 -0.3930 4870 HG 84.5987 65.3332 84.4264 H 319 SER319 0.2095 4871 N 86.5660 65.0120 86.2490 N.am 320 ALA320 -0.2459 4872 H 85.6190 65.1530 86.6000 H 320 ALA320 0.1312 4873 CA 87.6250 65.8450 86.7730 C.3 320 ALA320 0.0850 4874 HA 88.4169 65.9305 86.0278 H 320 ALA320 0.0554 4875 C 88.2350 65.2900 88.0580 C.2 320 ALA320 0.2185 4876 O 89.2020 65.8460 88.5820 O.2 320 ALA320 -0.2778 4877 CB 87.0292 67.2189 87.0765 C.3 320 ALA320 -0.0411 4878 HB1 87.7893 67.9213 87.4201 H 320 ALA320 0.0249 4879 HB2 86.2781 67.1262 87.8602 H 320 ALA320 0.0249 4880 HB3 86.5500 67.6454 86.1958 H 320 ALA320 0.0249 4881 N 87.6750 64.1870 88.5720 N.am 321 PHE321 -0.2437 4882 H 86.8010 63.8630 88.1580 H 321 PHE321 0.1312 4883 CA 88.2200 63.4240 89.6700 C.3 321 PHE321 0.1045 4884 HA 88.9030 64.0516 90.2403 H 321 PHE321 0.0579 4885 C 89.0460 62.2060 89.1750 C.2 321 PHE321 0.1946 4886 O 89.1060 61.9440 87.9450 O.co2 321 PHE321 -0.6467 4887 CB 87.0776 62.8717 90.5533 C.3 321 PHE321 -0.0019 4888 HB1 87.4923 62.2077 91.3127 H 321 PHE321 0.0334 4889 HB2 86.4282 62.2534 89.9319 H 321 PHE321 0.0334 4890 CG 86.2296 63.8857 91.2864 C.ar 321 PHE321 -0.0453 4891 CD1 86.7523 65.0877 91.7560 C.ar 321 PHE321 -0.0585 4892 HD1 87.7826 65.3476 91.5665 H 321 PHE321 0.0620 4893 CD2 84.9079 63.5700 91.5937 C.ar 321 PHE321 -0.0585 4894 HD2 84.4958 62.6306 91.2586 H 321 PHE321 0.0620 4895 CE1 85.9686 65.9539 92.5074 C.ar 321 PHE321 -0.0615 4896 HE1 86.3977 66.8680 92.8868 H 321 PHE321 0.0618 4897 CE2 84.1187 64.4379 92.3367 C.ar 321 PHE321 -0.0615 4898 HE2 83.0951 64.1806 92.5638 H 321 PHE321 0.0618 4899 CZ 84.6522 65.6306 92.7993 C.ar 321 PHE321 -0.0617 4900 HZ 84.0472 66.3061 93.3837 H 321 PHE321 0.0618 4901 OXT 89.6273 61.5159 90.0167 O.co2 321 PHE321 -0.6467 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 9 1 6 5 7 1 7 5 6 1 8 7 8 2 9 7 18 am 10 9 12 1 11 9 10 1 12 9 11 1 13 12 15 1 14 12 13 1 15 12 14 1 16 15 16 ar 17 15 17 ar 18 18 20 1 19 18 19 1 20 20 24 1 21 20 22 1 22 20 21 1 23 22 23 2 24 22 28 am 25 24 25 1 26 24 26 1 27 24 27 1 28 28 30 1 29 28 29 1 30 30 34 1 31 30 32 1 32 30 31 1 33 32 33 2 34 32 38 am 35 34 35 1 36 34 36 1 37 34 37 1 38 38 40 1 39 38 39 1 40 40 44 1 41 40 42 1 42 40 41 1 43 42 43 2 44 42 57 am 45 44 47 1 46 44 45 1 47 44 46 1 48 47 49 1 49 47 53 1 50 47 48 1 51 49 50 1 52 49 51 1 53 49 52 1 54 53 54 1 55 53 55 1 56 53 56 1 57 57 59 1 58 57 58 1 59 59 63 1 60 59 61 1 61 59 60 1 62 61 62 2 63 61 67 am 64 63 64 1 65 63 65 1 66 63 66 1 67 67 69 1 68 67 68 1 69 69 72 1 70 69 70 1 71 69 71 1 72 72 73 2 73 72 74 am 74 74 76 1 75 74 75 1 76 76 80 1 77 76 78 1 78 76 77 1 79 78 79 2 80 78 84 am 81 80 81 1 82 80 82 1 83 80 83 1 84 84 86 1 85 84 85 1 86 86 90 1 87 86 88 1 88 86 87 1 89 88 89 2 90 88 103 am 91 90 93 1 92 90 91 1 93 90 92 1 94 93 95 1 95 93 99 1 96 93 94 1 97 95 96 1 98 95 97 1 99 95 98 1 100 99 100 1 101 99 101 1 102 99 102 1 103 103 105 1 104 103 104 1 105 105 109 1 106 105 107 1 107 105 106 1 108 107 108 2 109 107 122 am 110 109 112 1 111 109 110 1 112 109 111 1 113 112 114 1 114 112 118 1 115 112 113 1 116 114 115 1 117 114 116 1 118 114 117 1 119 118 119 1 120 118 120 1 121 118 121 1 122 122 124 1 123 122 123 1 124 124 128 1 125 124 126 1 126 124 125 1 127 126 127 2 128 126 132 am 129 128 129 1 130 128 130 1 131 128 131 1 132 132 134 1 133 132 133 1 134 134 138 1 135 134 136 1 136 134 135 1 137 136 137 2 138 136 151 am 139 138 141 1 140 138 139 1 141 138 140 1 142 141 143 1 143 141 147 1 144 141 142 1 145 143 144 1 146 143 145 1 147 143 146 1 148 147 148 1 149 147 149 1 150 147 150 1 151 151 153 1 152 151 152 1 153 153 157 1 154 153 155 1 155 153 154 1 156 155 156 2 157 155 161 am 158 157 158 1 159 157 159 1 160 157 160 1 161 161 163 1 162 161 162 1 163 163 167 1 164 163 165 1 165 163 164 1 166 165 166 2 167 165 177 am 168 167 169 1 169 167 173 1 170 167 168 1 171 169 170 1 172 169 171 1 173 169 172 1 174 173 174 1 175 173 175 1 176 173 176 1 177 177 179 1 178 177 178 1 179 179 183 1 180 179 181 1 181 179 180 1 182 181 182 2 183 181 196 am 184 183 186 1 185 183 184 1 186 183 185 1 187 186 188 1 188 186 192 1 189 186 187 1 190 188 189 1 191 188 190 1 192 188 191 1 193 192 193 1 194 192 194 1 195 192 195 1 196 196 198 1 197 196 197 1 198 198 202 1 199 198 200 1 200 198 199 1 201 200 201 2 202 200 206 am 203 202 203 1 204 202 204 1 205 202 205 1 206 206 208 1 207 206 207 1 208 208 212 1 209 208 210 1 210 208 209 1 211 210 211 2 212 210 220 am 213 212 216 1 214 212 214 1 215 212 213 1 216 214 215 1 217 216 217 1 218 216 218 1 219 216 219 1 220 220 222 1 221 220 221 1 222 222 226 1 223 222 224 1 224 222 223 1 225 224 225 2 226 224 236 am 227 226 228 1 228 226 232 1 229 226 227 1 230 228 229 1 231 228 230 1 232 228 231 1 233 232 233 1 234 232 234 1 235 232 235 1 236 236 238 1 237 236 237 1 238 238 241 1 239 238 239 1 240 238 240 1 241 241 242 2 242 241 243 am 243 243 245 1 244 243 244 1 245 245 248 1 246 245 246 1 247 245 247 1 248 248 249 2 249 248 250 am 250 250 252 1 251 250 251 1 252 252 256 1 253 252 254 1 254 252 253 1 255 254 255 2 256 254 264 am 257 256 259 1 258 256 257 1 259 256 258 1 260 259 260 2 261 259 261 am 262 261 262 1 263 261 263 1 264 264 266 1 265 264 265 1 266 266 270 1 267 266 268 1 268 266 267 1 269 268 269 2 270 268 283 am 271 270 273 1 272 270 271 1 273 270 272 1 274 273 275 1 275 273 279 1 276 273 274 1 277 275 276 1 278 275 277 1 279 275 278 1 280 279 280 1 281 279 281 1 282 279 282 1 283 283 285 1 284 283 284 1 285 285 289 1 286 285 287 1 287 285 286 1 288 287 288 2 289 287 302 am 290 289 292 1 291 289 290 1 292 289 291 1 293 292 294 1 294 292 298 1 295 292 293 1 296 294 295 1 297 294 296 1 298 294 297 1 299 298 299 1 300 298 300 1 301 298 301 1 302 302 304 1 303 302 303 1 304 304 308 1 305 304 306 1 306 304 305 1 307 306 307 2 308 306 318 am 309 308 310 1 310 308 314 1 311 308 309 1 312 310 311 1 313 310 312 1 314 310 313 1 315 314 315 1 316 314 316 1 317 314 317 1 318 318 320 1 319 318 319 1 320 320 324 1 321 320 322 1 322 320 321 1 323 322 323 2 324 322 337 am 325 324 329 1 326 324 326 1 327 324 325 1 328 326 333 1 329 326 327 1 330 326 328 1 331 329 330 1 332 329 331 1 333 329 332 1 334 333 334 1 335 333 335 1 336 333 336 1 337 337 339 1 338 337 338 1 339 339 343 1 340 339 341 1 341 339 340 1 342 341 342 2 343 341 353 am 344 343 345 1 345 343 349 1 346 343 344 1 347 345 346 1 348 345 347 1 349 345 348 1 350 349 350 1 351 349 351 1 352 349 352 1 353 353 355 1 354 353 354 1 355 355 359 1 356 355 357 1 357 355 356 1 358 357 358 2 359 357 363 am 360 359 360 1 361 359 361 1 362 359 362 1 363 363 365 1 364 363 364 1 365 365 369 1 366 365 367 1 367 365 366 1 368 367 368 2 369 367 382 am 370 369 374 1 371 369 371 1 372 369 370 1 373 371 378 1 374 371 372 1 375 371 373 1 376 374 375 1 377 374 376 1 378 374 377 1 379 378 379 1 380 378 380 1 381 378 381 1 382 382 384 1 383 382 383 1 384 384 388 1 385 384 386 1 386 384 385 1 387 386 387 2 388 386 392 am 389 388 389 1 390 388 390 1 391 388 391 1 392 392 394 1 393 392 393 1 394 394 398 1 395 394 396 1 396 394 395 1 397 396 397 2 398 396 416 am 399 398 401 1 400 398 399 1 401 398 400 1 402 401 402 ar 403 401 404 ar 404 402 405 ar 405 402 403 1 406 404 407 ar 407 404 408 ar 408 405 407 ar 409 405 406 1 410 407 410 ar 411 408 412 ar 412 408 409 1 413 410 414 ar 414 410 411 1 415 412 414 ar 416 412 413 1 417 414 415 1 418 416 418 1 419 416 417 1 420 418 422 1 421 418 420 1 422 418 419 1 423 420 421 2 424 420 430 am 425 422 426 1 426 422 424 1 427 422 423 1 428 424 425 1 429 426 427 1 430 426 428 1 431 426 429 1 432 430 441 1 433 430 431 1 434 431 435 1 435 431 433 1 436 431 432 1 437 433 434 2 438 433 444 am 439 435 438 1 440 435 436 1 441 435 437 1 442 438 441 1 443 438 439 1 444 438 440 1 445 441 442 1 446 441 443 1 447 444 446 1 448 444 445 1 449 446 450 1 450 446 448 1 451 446 447 1 452 448 449 2 453 448 468 am 454 450 453 1 455 450 451 1 456 450 452 1 457 453 456 1 458 453 454 1 459 453 455 1 460 456 459 1 461 456 457 1 462 456 458 1 463 459 461 ar 464 459 460 1 465 461 462 ar 466 461 465 ar 467 462 463 1 468 462 464 1 469 465 466 1 470 465 467 1 471 468 470 1 472 468 469 1 473 470 474 1 474 470 472 1 475 470 471 1 476 472 473 2 477 472 487 am 478 474 477 1 479 474 475 1 480 474 476 1 481 477 479 1 482 477 483 1 483 477 478 1 484 479 480 1 485 479 481 1 486 479 482 1 487 483 484 1 488 483 485 1 489 483 486 1 490 487 489 1 491 487 488 1 492 489 493 1 493 489 491 1 494 489 490 1 495 491 492 2 496 491 504 am 497 493 496 1 498 493 494 1 499 493 495 1 500 496 499 1 501 496 497 1 502 496 498 1 503 499 500 2 504 499 501 am 505 501 502 1 506 501 503 1 507 504 506 1 508 504 505 1 509 506 510 1 510 506 508 1 511 506 507 1 512 508 509 2 513 508 518 am 514 510 514 1 515 510 512 1 516 510 511 1 517 512 513 1 518 514 515 1 519 514 516 1 520 514 517 1 521 518 520 1 522 518 519 1 523 520 524 1 524 520 522 1 525 520 521 1 526 522 523 2 527 522 535 am 528 524 527 1 529 524 525 1 530 524 526 1 531 527 530 1 532 527 528 1 533 527 529 1 534 530 531 1 535 531 532 1 536 531 533 1 537 531 534 1 538 535 537 1 539 535 536 1 540 537 541 1 541 537 539 1 542 537 538 1 543 539 540 2 544 539 549 am 545 541 545 1 546 541 543 1 547 541 542 1 548 543 544 1 549 545 546 1 550 545 547 1 551 545 548 1 552 549 551 1 553 549 550 1 554 551 555 1 555 551 553 1 556 551 552 1 557 553 554 2 558 553 563 am 559 555 558 1 560 555 556 1 561 555 557 1 562 558 559 2 563 558 560 am 564 560 561 1 565 560 562 1 566 563 565 1 567 563 564 1 568 565 569 1 569 565 567 1 570 565 566 1 571 567 568 2 572 567 579 am 573 569 571 1 574 569 575 1 575 569 570 1 576 571 572 1 577 571 573 1 578 571 574 1 579 575 576 1 580 575 577 1 581 575 578 1 582 579 581 1 583 579 580 1 584 581 585 1 585 581 583 1 586 581 582 1 587 583 584 2 588 583 599 am 589 585 588 1 590 585 586 1 591 585 587 1 592 588 589 ar 593 588 591 ar 594 589 593 ar 595 589 590 1 596 591 595 ar 597 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4635 4573 4574 1 4636 4575 4576 2 4637 4575 4592 am 4638 4577 4580 1 4639 4577 4578 1 4640 4577 4579 1 4641 4580 4581 ar 4642 4580 4583 ar 4643 4581 4585 ar 4644 4581 4582 1 4645 4583 4587 ar 4646 4583 4584 1 4647 4585 4589 ar 4648 4585 4586 1 4649 4587 4589 ar 4650 4587 4588 1 4651 4589 4590 1 4652 4590 4591 1 4653 4592 4594 1 4654 4592 4593 1 4655 4594 4598 1 4656 4594 4596 1 4657 4594 4595 1 4658 4596 4597 2 4659 4596 4602 am 4660 4598 4599 1 4661 4598 4600 1 4662 4598 4601 1 4663 4602 4604 1 4664 4602 4603 1 4665 4604 4608 1 4666 4604 4606 1 4667 4604 4605 1 4668 4606 4607 2 4669 4606 4616 am 4670 4608 4611 1 4671 4608 4609 1 4672 4608 4610 1 4673 4611 4612 2 4674 4611 4613 am 4675 4613 4614 1 4676 4613 4615 1 4677 4616 4618 1 4678 4616 4617 1 4679 4618 4622 1 4680 4618 4620 1 4681 4618 4619 1 4682 4620 4621 2 4683 4620 4627 am 4684 4622 4625 1 4685 4622 4623 1 4686 4622 4624 1 4687 4625 4626 1 4688 4627 4629 1 4689 4627 4628 1 4690 4629 4633 1 4691 4629 4631 1 4692 4629 4630 1 4693 4631 4632 2 4694 4631 4637 am 4695 4633 4634 1 4696 4633 4635 1 4697 4633 4636 1 4698 4637 4639 1 4699 4637 4638 1 4700 4639 4643 1 4701 4639 4641 1 4702 4639 4640 1 4703 4641 4642 2 4704 4641 4657 am 4705 4643 4646 1 4706 4643 4644 1 4707 4643 4645 1 4708 4646 4647 ar 4709 4646 4649 ar 4710 4647 4651 ar 4711 4647 4648 1 4712 4649 4653 ar 4713 4649 4650 1 4714 4651 4655 ar 4715 4651 4652 1 4716 4653 4655 ar 4717 4653 4654 1 4718 4655 4656 1 4719 4657 4659 1 4720 4657 4658 1 4721 4659 4663 1 4722 4659 4661 1 4723 4659 4660 1 4724 4661 4662 2 4725 4661 4671 am 4726 4663 4666 1 4727 4663 4664 1 4728 4663 4665 1 4729 4666 4667 2 4730 4666 4668 am 4731 4668 4669 1 4732 4668 4670 1 4733 4671 4682 1 4734 4671 4672 1 4735 4672 4676 1 4736 4672 4674 1 4737 4672 4673 1 4738 4674 4675 2 4739 4674 4685 am 4740 4676 4679 1 4741 4676 4677 1 4742 4676 4678 1 4743 4679 4682 1 4744 4679 4680 1 4745 4679 4681 1 4746 4682 4683 1 4747 4682 4684 1 4748 4685 4687 1 4749 4685 4686 1 4750 4687 4691 1 4751 4687 4689 1 4752 4687 4688 1 4753 4689 4690 2 4754 4689 4704 am 4755 4691 4694 1 4756 4691 4692 1 4757 4691 4693 1 4758 4694 4696 1 4759 4694 4700 1 4760 4694 4695 1 4761 4696 4697 1 4762 4696 4698 1 4763 4696 4699 1 4764 4700 4701 1 4765 4700 4702 1 4766 4700 4703 1 4767 4704 4706 1 4768 4704 4705 1 4769 4706 4710 1 4770 4706 4708 1 4771 4706 4707 1 4772 4708 4709 2 4773 4708 4723 am 4774 4710 4715 1 4775 4710 4712 1 4776 4710 4711 1 4777 4712 4719 1 4778 4712 4713 1 4779 4712 4714 1 4780 4715 4716 1 4781 4715 4717 1 4782 4715 4718 1 4783 4719 4720 1 4784 4719 4721 1 4785 4719 4722 1 4786 4723 4725 1 4787 4723 4724 1 4788 4725 4729 1 4789 4725 4727 1 4790 4725 4726 1 4791 4727 4728 2 4792 4727 4744 am 4793 4729 4732 1 4794 4729 4730 1 4795 4729 4731 1 4796 4732 4733 ar 4797 4732 4735 ar 4798 4733 4737 ar 4799 4733 4734 1 4800 4735 4739 ar 4801 4735 4736 1 4802 4737 4741 ar 4803 4737 4738 1 4804 4739 4741 ar 4805 4739 4740 1 4806 4741 4742 1 4807 4742 4743 1 4808 4744 4746 1 4809 4744 4745 1 4810 4746 4750 1 4811 4746 4748 1 4812 4746 4747 1 4813 4748 4749 2 4814 4748 4755 am 4815 4750 4753 1 4816 4750 4751 1 4817 4750 4752 1 4818 4753 4754 1 4819 4755 4757 1 4820 4755 4756 1 4821 4757 4761 1 4822 4757 4759 1 4823 4757 4758 1 4824 4759 4760 2 4825 4759 4779 am 4826 4761 4764 1 4827 4761 4762 1 4828 4761 4763 1 4829 4764 4767 1 4830 4764 4765 1 4831 4764 4766 1 4832 4767 4770 1 4833 4767 4768 1 4834 4767 4769 1 4835 4770 4772 ar 4836 4770 4771 1 4837 4772 4773 ar 4838 4772 4776 ar 4839 4773 4774 1 4840 4773 4775 1 4841 4776 4777 1 4842 4776 4778 1 4843 4779 4781 1 4844 4779 4780 1 4845 4781 4785 1 4846 4781 4783 1 4847 4781 4782 1 4848 4783 4784 2 4849 4783 4790 am 4850 4785 4788 1 4851 4785 4786 1 4852 4785 4787 1 4853 4788 4789 1 4854 4790 4801 1 4855 4790 4791 1 4856 4791 4795 1 4857 4791 4793 1 4858 4791 4792 1 4859 4793 4794 2 4860 4793 4804 am 4861 4795 4798 1 4862 4795 4796 1 4863 4795 4797 1 4864 4798 4801 1 4865 4798 4799 1 4866 4798 4800 1 4867 4801 4802 1 4868 4801 4803 1 4869 4804 4806 1 4870 4804 4805 1 4871 4806 4810 1 4872 4806 4808 1 4873 4806 4807 1 4874 4808 4809 2 4875 4808 4816 am 4876 4810 4813 1 4877 4810 4811 1 4878 4810 4812 1 4879 4813 4814 ar 4880 4813 4815 ar 4881 4816 4818 1 4882 4816 4817 1 4883 4818 4822 1 4884 4818 4820 1 4885 4818 4819 1 4886 4820 4821 2 4887 4820 4836 am 4888 4822 4825 1 4889 4822 4823 1 4890 4822 4824 1 4891 4825 4826 ar 4892 4825 4828 ar 4893 4826 4830 ar 4894 4826 4827 1 4895 4828 4832 ar 4896 4828 4829 1 4897 4830 4834 ar 4898 4830 4831 1 4899 4832 4834 ar 4900 4832 4833 1 4901 4834 4835 1 4902 4836 4838 1 4903 4836 4837 1 4904 4838 4842 1 4905 4838 4840 1 4906 4838 4839 1 4907 4840 4841 2 4908 4840 4860 am 4909 4842 4845 1 4910 4842 4843 1 4911 4842 4844 1 4912 4845 4848 1 4913 4845 4846 1 4914 4845 4847 1 4915 4848 4851 1 4916 4848 4849 1 4917 4848 4850 1 4918 4851 4853 ar 4919 4851 4852 1 4920 4853 4854 ar 4921 4853 4857 ar 4922 4854 4855 1 4923 4854 4856 1 4924 4857 4858 1 4925 4857 4859 1 4926 4860 4862 1 4927 4860 4861 1 4928 4862 4866 1 4929 4862 4864 1 4930 4862 4863 1 4931 4864 4865 2 4932 4864 4871 am 4933 4866 4869 1 4934 4866 4867 1 4935 4866 4868 1 4936 4869 4870 1 4937 4871 4873 1 4938 4871 4872 1 4939 4873 4877 1 4940 4873 4875 1 4941 4873 4874 1 4942 4875 4876 2 4943 4875 4881 am 4944 4877 4878 1 4945 4877 4879 1 4946 4877 4880 1 4947 4881 4883 1 4948 4881 4882 1 4949 4883 4887 1 4950 4883 4885 1 4951 4883 4884 1 4952 4885 4886 ar 4953 4885 4901 ar 4954 4887 4890 1 4955 4887 4888 1 4956 4887 4889 1 4957 4890 4891 ar 4958 4890 4893 ar 4959 4891 4895 ar 4960 4891 4892 1 4961 4893 4897 ar 4962 4893 4894 1 4963 4895 4899 ar 4964 4895 4896 1 4965 4897 4899 ar 4966 4897 4898 1 4967 4899 4900 1 @SUBSTRUCTURE 1 GLU1 5 RESIDUE 1 E GLU 1 ROOT 2 ALA2 20 RESIDUE 1 E ALA 2 3 ALA3 30 RESIDUE 1 E ALA 2 4 LEU4 40 RESIDUE 1 E LEU 2 5 ALA5 59 RESIDUE 1 E ALA 2 6 GLY6 69 RESIDUE 1 E GLY 2 7 ALA7 76 RESIDUE 1 E ALA 2 8 LEU8 86 RESIDUE 1 E LEU 2 9 LEU9 105 RESIDUE 1 E LEU 2 10 ALA10 124 RESIDUE 1 E ALA 2 11 LEU11 134 RESIDUE 1 E LEU 2 12 ALA12 153 RESIDUE 1 E ALA 2 13 VAL13 163 RESIDUE 1 E VAL 2 14 LEU14 179 RESIDUE 1 E LEU 2 15 ALA15 198 RESIDUE 1 E ALA 2 16 THR16 208 RESIDUE 1 E THR 2 17 VAL17 222 RESIDUE 1 E VAL 2 18 GLY18 238 RESIDUE 1 E GLY 2 19 GLY19 245 RESIDUE 1 E GLY 2 20 ASN20 252 RESIDUE 1 E ASN 2 21 LEU21 266 RESIDUE 1 E LEU 2 22 LEU22 285 RESIDUE 1 E LEU 2 23 VAL23 304 RESIDUE 1 E VAL 2 24 ILE24 320 RESIDUE 1 E ILE 2 25 VAL25 339 RESIDUE 1 E VAL 2 26 ALA26 355 RESIDUE 1 E ALA 2 27 ILE27 365 RESIDUE 1 E ILE 2 28 ALA28 384 RESIDUE 1 E ALA 2 29 TRP29 394 RESIDUE 1 E TRP 2 30 THR30 418 RESIDUE 1 E THR 2 31 PRO31 431 RESIDUE 1 E PRO 2 32 ARG32 446 RESIDUE 1 E ARG 2 33 LEU33 470 RESIDUE 1 E LEU 2 34 GLN34 489 RESIDUE 1 E GLN 2 35 THR35 506 RESIDUE 1 E THR 2 36 MET36 520 RESIDUE 1 E MET 2 37 THR37 537 RESIDUE 1 E THR 2 38 ASN38 551 RESIDUE 1 E ASN 2 39 VAL39 565 RESIDUE 1 E VAL 2 40 PHE40 581 RESIDUE 1 E PHE 2 41 VAL41 601 RESIDUE 1 E VAL 2 42 THR42 617 RESIDUE 1 E THR 2 43 SER43 631 RESIDUE 1 E SER 2 44 LEU44 642 RESIDUE 1 E LEU 2 45 ALA45 661 RESIDUE 1 E ALA 2 46 ALA46 671 RESIDUE 1 E ALA 2 47 ALA47 681 RESIDUE 1 E ALA 2 48 ASP48 691 RESIDUE 1 E ASP 2 49 LEU49 703 RESIDUE 1 E LEU 2 50 VAL50 722 RESIDUE 1 E VAL 2 51 MET51 738 RESIDUE 1 E MET 2 52 GLY52 755 RESIDUE 1 E GLY 2 53 LEU53 762 RESIDUE 1 E LEU 2 54 LEU54 781 RESIDUE 1 E LEU 2 55 VAL55 800 RESIDUE 1 E VAL 2 56 VAL56 816 RESIDUE 1 E VAL 2 57 PRO57 831 RESIDUE 1 E PRO 2 58 PRO58 845 RESIDUE 1 E PRO 2 59 ALA59 860 RESIDUE 1 E ALA 2 60 ALA60 870 RESIDUE 1 E ALA 2 61 THR61 880 RESIDUE 1 E THR 2 62 LEU62 894 RESIDUE 1 E LEU 2 63 ALA63 913 RESIDUE 1 E ALA 2 64 LEU64 923 RESIDUE 1 E LEU 2 65 THR65 942 RESIDUE 1 E THR 2 66 GLY66 956 RESIDUE 1 E GLY 2 67 HIS67 963 RESIDUE 1 E HIS 2 68 TRP68 980 RESIDUE 1 E TRP 2 69 PRO69 1003 RESIDUE 1 E PRO 2 70 LEU70 1018 RESIDUE 1 E LEU 2 71 GLY71 1037 RESIDUE 1 E GLY 2 72 ALA72 1044 RESIDUE 1 E ALA 2 73 THR73 1054 RESIDUE 1 E THR 2 74 GLY74 1068 RESIDUE 1 E GLY 2 75 CYS75 1075 RESIDUE 1 E CYS 2 76 GLU76 1086 RESIDUE 1 E GLU 2 77 LEU77 1101 RESIDUE 1 E LEU 2 78 TRP78 1120 RESIDUE 1 E TRP 2 79 THR79 1144 RESIDUE 1 E THR 2 80 SER80 1158 RESIDUE 1 E SER 2 81 VAL81 1169 RESIDUE 1 E VAL 2 82 ASP82 1185 RESIDUE 1 E ASP 2 83 VAL83 1197 RESIDUE 1 E VAL 2 84 LEU84 1213 RESIDUE 1 E LEU 2 85 CYS85 1232 RESIDUE 1 E CYS 2 86 VAL86 1243 RESIDUE 1 E VAL 2 87 THR87 1259 RESIDUE 1 E THR 2 88 ALA88 1273 RESIDUE 1 E ALA 2 89 SER89 1283 RESIDUE 1 E SER 2 90 ILE90 1294 RESIDUE 1 E ILE 2 91 GLU91 1313 RESIDUE 1 E GLU 2 92 THR92 1328 RESIDUE 1 E THR 2 93 LEU93 1342 RESIDUE 1 E LEU 2 94 CYS94 1361 RESIDUE 1 E CYS 2 95 ALA95 1372 RESIDUE 1 E ALA 2 96 LEU96 1382 RESIDUE 1 E LEU 2 97 ALA97 1401 RESIDUE 1 E ALA 2 98 VAL98 1411 RESIDUE 1 E VAL 2 99 ASP99 1427 RESIDUE 1 E ASP 2 100 ARG100 1439 RESIDUE 1 E ARG 2 101 TYR101 1463 RESIDUE 1 E TYR 2 102 LEU102 1484 RESIDUE 1 E LEU 2 103 ALA103 1503 RESIDUE 1 E ALA 2 104 VAL104 1513 RESIDUE 1 E VAL 2 105 THR105 1529 RESIDUE 1 E THR 2 106 ASN106 1543 RESIDUE 1 E ASN 2 107 PRO107 1556 RESIDUE 1 E PRO 2 108 LEU108 1571 RESIDUE 1 E LEU 2 109 ARG109 1590 RESIDUE 1 E ARG 2 110 TYR110 1614 RESIDUE 1 E TYR 2 111 GLY111 1635 RESIDUE 1 E GLY 2 112 ALA112 1642 RESIDUE 1 E ALA 2 113 LEU113 1652 RESIDUE 1 E LEU 2 114 VAL114 1671 RESIDUE 1 E VAL 2 115 THR115 1687 RESIDUE 1 E THR 2 116 LYS116 1701 RESIDUE 1 E LYS 2 117 ARG117 1723 RESIDUE 1 E ARG 2 118 CYS118 1747 RESIDUE 1 E CYS 2 119 ALA119 1758 RESIDUE 1 E ALA 2 120 ARG120 1768 RESIDUE 1 E ARG 2 121 THR121 1792 RESIDUE 1 E THR 2 122 ALA122 1806 RESIDUE 1 E ALA 2 123 VAL123 1816 RESIDUE 1 E VAL 2 124 VAL124 1832 RESIDUE 1 E VAL 2 125 LEU125 1848 RESIDUE 1 E LEU 2 126 VAL126 1867 RESIDUE 1 E VAL 2 127 TRP127 1883 RESIDUE 1 E TRP 2 128 VAL128 1907 RESIDUE 1 E VAL 2 129 VAL129 1923 RESIDUE 1 E VAL 2 130 SER130 1939 RESIDUE 1 E SER 2 131 ALA131 1950 RESIDUE 1 E ALA 2 132 ALA132 1960 RESIDUE 1 E ALA 2 133 VAL133 1970 RESIDUE 1 E VAL 2 134 SER134 1986 RESIDUE 1 E SER 2 135 PHE135 1997 RESIDUE 1 E PHE 2 136 ALA136 2017 RESIDUE 1 E ALA 2 137 PRO137 2026 RESIDUE 1 E PRO 2 138 ILE138 2041 RESIDUE 1 E ILE 2 139 MET139 2060 RESIDUE 1 E MET 2 140 SER140 2077 RESIDUE 1 E SER 2 141 GLN141 2088 RESIDUE 1 E GLN 2 142 TRP142 2105 RESIDUE 1 E TRP 2 143 TRP143 2129 RESIDUE 1 E TRP 2 144 ARG144 2153 RESIDUE 1 E ARG 2 145 VAL145 2177 RESIDUE 1 E VAL 2 146 GLY146 2193 RESIDUE 1 E GLY 2 147 ALA147 2200 RESIDUE 1 E ALA 2 148 ASP148 2210 RESIDUE 1 E ASP 2 149 ALA149 2222 RESIDUE 1 E ALA 2 150 GLU150 2232 RESIDUE 1 E GLU 2 151 ALA151 2247 RESIDUE 1 E ALA 2 152 GLN152 2257 RESIDUE 1 E GLN 2 153 ARG153 2274 RESIDUE 1 E ARG 2 154 CYS154 2298 RESIDUE 1 E CYS 2 155 HIS155 2309 RESIDUE 1 E HIS 2 156 SER156 2326 RESIDUE 1 E SER 2 157 ASN157 2337 RESIDUE 1 E ASN 2 158 PRO158 2350 RESIDUE 1 E PRO 2 159 ARG159 2365 RESIDUE 1 E ARG 2 160 CYS160 2389 RESIDUE 1 E CYS 2 161 CYS161 2400 RESIDUE 1 E CYS 2 162 ALA162 2411 RESIDUE 1 E ALA 2 163 PHE163 2421 RESIDUE 1 E PHE 2 164 ALA164 2441 RESIDUE 1 E ALA 2 165 SER165 2451 RESIDUE 1 E SER 2 166 ASN166 2462 RESIDUE 1 E ASN 2 167 MET167 2476 RESIDUE 1 E MET 2 168 PRO168 2492 RESIDUE 1 E PRO 2 169 TYR169 2507 RESIDUE 1 E TYR 2 170 VAL170 2528 RESIDUE 1 E VAL 2 171 LEU171 2544 RESIDUE 1 E LEU 2 172 LEU172 2563 RESIDUE 1 E LEU 2 173 SER173 2582 RESIDUE 1 E SER 2 174 SER174 2593 RESIDUE 1 E SER 2 175 SER175 2604 RESIDUE 1 E SER 2 176 VAL176 2615 RESIDUE 1 E VAL 2 177 SER177 2631 RESIDUE 1 E SER 2 178 PHE178 2642 RESIDUE 1 E PHE 2 179 TYR179 2662 RESIDUE 1 E TYR 2 180 LEU180 2683 RESIDUE 1 E LEU 2 181 PRO181 2701 RESIDUE 1 E PRO 2 182 LEU182 2716 RESIDUE 1 E LEU 2 183 LEU183 2735 RESIDUE 1 E LEU 2 184 VAL184 2754 RESIDUE 1 E VAL 2 185 MET185 2770 RESIDUE 1 E MET 2 186 LEU186 2787 RESIDUE 1 E LEU 2 187 PHE187 2806 RESIDUE 1 E PHE 2 188 VAL188 2826 RESIDUE 1 E VAL 2 189 TYR189 2842 RESIDUE 1 E TYR 2 190 ALA190 2863 RESIDUE 1 E ALA 2 191 ARG191 2873 RESIDUE 1 E ARG 2 192 VAL192 2897 RESIDUE 1 E VAL 2 193 PHE193 2913 RESIDUE 1 E PHE 2 194 VAL194 2933 RESIDUE 1 E VAL 2 195 VAL195 2949 RESIDUE 1 E VAL 2 196 ALA196 2965 RESIDUE 1 E ALA 2 197 THR197 2975 RESIDUE 1 E THR 2 198 ARG198 2989 RESIDUE 1 E ARG 2 199 GLN199 3013 RESIDUE 1 E GLN 2 200 LEU200 3030 RESIDUE 1 E LEU 2 201 ARG201 3049 RESIDUE 1 E ARG 2 202 LEU202 3073 RESIDUE 1 E LEU 2 203 LEU203 3092 RESIDUE 1 E LEU 2 204 ARG204 3111 RESIDUE 1 E ARG 2 205 GLY205 3135 RESIDUE 1 E GLY 2 206 GLU206 3142 RESIDUE 1 E GLU 2 207 LEU207 3157 RESIDUE 1 E LEU 2 208 GLY208 3176 RESIDUE 1 E GLY 2 209 ARG209 3183 RESIDUE 1 E ARG 2 210 PHE210 3207 RESIDUE 1 E PHE 2 211 PRO211 3226 RESIDUE 1 E PRO 2 212 PRO212 3240 RESIDUE 1 E PRO 2 213 GLU213 3255 RESIDUE 1 E GLU 2 214 GLU214 3270 RESIDUE 1 E GLU 2 215 SER215 3285 RESIDUE 1 E SER 2 216 PRO216 3295 RESIDUE 1 E PRO 2 217 PRO217 3309 RESIDUE 1 E PRO 2 218 ALA218 3324 RESIDUE 1 E ALA 2 219 PRO219 3333 RESIDUE 1 E PRO 2 220 SER220 3348 RESIDUE 1 E SER 2 221 ARG221 3359 RESIDUE 1 E ARG 2 222 SER222 3383 RESIDUE 1 E SER 2 223 LEU223 3394 RESIDUE 1 E LEU 2 224 ALA224 3413 RESIDUE 1 E ALA 2 225 PRO225 3422 RESIDUE 1 E PRO 2 226 ALA226 3437 RESIDUE 1 E ALA 2 227 PRO227 3446 RESIDUE 1 E PRO 2 228 VAL228 3461 RESIDUE 1 E VAL 2 229 GLY229 3477 RESIDUE 1 E GLY 2 230 THR230 3484 RESIDUE 1 E THR 2 231 CYS231 3498 RESIDUE 1 E CYS 2 232 ALA232 3509 RESIDUE 1 E ALA 2 233 PRO233 3518 RESIDUE 1 E PRO 2 234 PRO234 3532 RESIDUE 1 E PRO 2 235 GLU235 3547 RESIDUE 1 E GLU 2 236 GLY236 3562 RESIDUE 1 E GLY 2 237 VAL237 3569 RESIDUE 1 E VAL 2 238 PRO238 3584 RESIDUE 1 E PRO 2 239 ALA239 3599 RESIDUE 1 E ALA 2 240 CYS240 3609 RESIDUE 1 E CYS 2 241 GLY241 3620 RESIDUE 1 E GLY 2 242 ARG242 3627 RESIDUE 1 E ARG 2 243 ARG243 3651 RESIDUE 1 E ARG 2 244 PRO244 3674 RESIDUE 1 E PRO 2 245 ALA245 3689 RESIDUE 1 E ALA 2 246 ARG246 3699 RESIDUE 1 E ARG 2 247 LEU247 3723 RESIDUE 1 E LEU 2 248 LEU248 3742 RESIDUE 1 E LEU 2 249 PRO249 3760 RESIDUE 1 E PRO 2 250 LEU250 3775 RESIDUE 1 E LEU 2 251 ARG251 3794 RESIDUE 1 E ARG 2 252 GLU252 3818 RESIDUE 1 E GLU 2 253 HIS253 3833 RESIDUE 1 E HIS 2 254 ARG254 3850 RESIDUE 1 E ARG 2 255 ALA255 3874 RESIDUE 1 E ALA 2 256 LEU256 3884 RESIDUE 1 E LEU 2 257 CYS257 3903 RESIDUE 1 E CYS 2 258 THR258 3914 RESIDUE 1 E THR 2 259 LEU259 3928 RESIDUE 1 E LEU 2 260 GLY260 3947 RESIDUE 1 E GLY 2 261 LEU261 3954 RESIDUE 1 E LEU 2 262 ILE262 3973 RESIDUE 1 E ILE 2 263 MET263 3992 RESIDUE 1 E MET 2 264 GLY264 4009 RESIDUE 1 E GLY 2 265 THR265 4016 RESIDUE 1 E THR 2 266 PHE266 4030 RESIDUE 1 E PHE 2 267 THR267 4050 RESIDUE 1 E THR 2 268 LEU268 4064 RESIDUE 1 E LEU 2 269 CYS269 4083 RESIDUE 1 E CYS 2 270 TRP270 4094 RESIDUE 1 E TRP 2 271 LEU271 4118 RESIDUE 1 E LEU 2 272 PRO272 4136 RESIDUE 1 E PRO 2 273 PHE273 4151 RESIDUE 1 E PHE 2 274 PHE274 4171 RESIDUE 1 E PHE 2 275 LEU275 4191 RESIDUE 1 E LEU 2 276 ALA276 4210 RESIDUE 1 E ALA 2 277 ASN277 4220 RESIDUE 1 E ASN 2 278 VAL278 4234 RESIDUE 1 E VAL 2 279 LEU279 4250 RESIDUE 1 E LEU 2 280 ARG280 4269 RESIDUE 1 E ARG 2 281 ALA281 4293 RESIDUE 1 E ALA 2 282 LEU282 4303 RESIDUE 1 E LEU 2 283 GLY283 4322 RESIDUE 1 E GLY 2 284 GLY284 4329 RESIDUE 1 E GLY 2 285 PRO285 4335 RESIDUE 1 E PRO 2 286 SER286 4350 RESIDUE 1 E SER 2 287 LEU287 4361 RESIDUE 1 E LEU 2 288 VAL288 4380 RESIDUE 1 E VAL 2 289 PRO289 4395 RESIDUE 1 E PRO 2 290 GLY290 4410 RESIDUE 1 E GLY 2 291 PRO291 4416 RESIDUE 1 E PRO 2 292 ALA292 4431 RESIDUE 1 E ALA 2 293 PHE293 4441 RESIDUE 1 E PHE 2 294 LEU294 4461 RESIDUE 1 E LEU 2 295 ALA295 4480 RESIDUE 1 E ALA 2 296 LEU296 4490 RESIDUE 1 E LEU 2 297 ASN297 4509 RESIDUE 1 E ASN 2 298 TRP298 4523 RESIDUE 1 E TRP 2 299 LEU299 4547 RESIDUE 1 E LEU 2 300 GLY300 4566 RESIDUE 1 E GLY 2 301 TYR301 4573 RESIDUE 1 E TYR 2 302 ALA302 4594 RESIDUE 1 E ALA 2 303 ASN303 4604 RESIDUE 1 E ASN 2 304 SER304 4618 RESIDUE 1 E SER 2 305 ALA305 4629 RESIDUE 1 E ALA 2 306 PHE306 4639 RESIDUE 1 E PHE 2 307 ASN307 4659 RESIDUE 1 E ASN 2 308 PRO308 4672 RESIDUE 1 E PRO 2 309 LEU309 4687 RESIDUE 1 E LEU 2 310 ILE310 4706 RESIDUE 1 E ILE 2 311 TYR311 4725 RESIDUE 1 E TYR 2 312 CYS312 4746 RESIDUE 1 E CYS 2 313 ARG313 4757 RESIDUE 1 E ARG 2 314 SER314 4781 RESIDUE 1 E SER 2 315 PRO315 4791 RESIDUE 1 E PRO 2 316 ASP316 4806 RESIDUE 1 E ASP 2 317 PHE317 4818 RESIDUE 1 E PHE 2 318 ARG318 4838 RESIDUE 1 E ARG 2 319 SER319 4862 RESIDUE 1 E SER 2 320 ALA320 4873 RESIDUE 1 E ALA 2 321 PHE321 4883 RESIDUE 1 E PHE 1