#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 4X7Q_min 4018 4076 256 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 36.2290 -9.9790 2.5910 N.4 1 TYR1 -0.0638 2 H1 36.2247 -10.6942 1.8363 H 1 TYR1 0.2751 3 H2 35.6250 -10.2892 3.3804 H 1 TYR1 0.2751 4 H3 37.2030 -9.8615 2.9421 H 1 TYR1 0.2751 5 CA 35.7350 -8.6650 2.0660 C.3 1 TYR1 0.1969 6 HA 34.7442 -8.8469 1.6881 H 1 TYR1 0.0694 7 CB 35.7076 -7.6041 3.1830 C.3 1 TYR1 0.0088 8 HB1 35.6616 -6.5872 2.7831 H 1 TYR1 0.0338 9 HB2 36.6043 -7.6438 3.8040 H 1 TYR1 0.0338 10 CG 34.4853 -7.7848 4.0121 C.ar 1 TYR1 -0.0448 11 CD1 33.2645 -7.4235 3.4625 C.ar 1 TYR1 -0.0561 12 HD1 33.2104 -6.9748 2.4809 H 1 TYR1 0.0621 13 CD2 34.5396 -8.3366 5.2881 C.ar 1 TYR1 -0.0561 14 HD2 35.4838 -8.5934 5.7462 H 1 TYR1 0.0621 15 CE1 32.0995 -7.6597 4.1581 C.ar 1 TYR1 -0.0317 16 HE1 31.1428 -7.3969 3.7385 H 1 TYR1 0.0643 17 CE2 33.3656 -8.5573 5.9927 C.ar 1 TYR1 -0.0317 18 HE2 33.3909 -8.9859 6.9838 H 1 TYR1 0.0643 19 CZ 32.1516 -8.2374 5.4076 C.ar 1 TYR1 0.0726 20 OH 30.9660 -8.4908 6.0411 O.3 1 TYR1 -0.3598 21 HH 31.0882 -8.4267 6.9862 H 1 TYR1 0.2173 22 C 36.6100 -8.0460 0.9640 C.2 1 TYR1 0.2318 23 O 37.7270 -7.6210 1.2410 O.2 1 TYR1 -0.2773 24 N 36.1070 -7.9700 -0.2680 N.am 2 ARG2 -0.2452 25 H 35.2130 -8.4170 -0.4700 H 2 ARG2 0.1312 26 CA 36.8170 -7.2520 -1.3490 C.3 2 ARG2 0.0879 27 HA 37.8883 -7.2910 -1.1390 H 2 ARG2 0.0557 28 CB 36.5520 -7.9495 -2.6984 C.3 2 ARG2 -0.0258 29 HB1 35.4917 -7.8842 -2.9490 H 2 ARG2 0.0286 30 HB2 36.7752 -9.0120 -2.5968 H 2 ARG2 0.0286 31 CG 37.4009 -7.3681 -3.8456 C.3 2 ARG2 -0.0154 32 HG1 38.4566 -7.4174 -3.5758 H 2 ARG2 0.0299 33 HG2 37.1702 -6.3123 -3.9679 H 2 ARG2 0.0299 34 CD 37.1930 -8.0642 -5.1972 C.3 2 ARG2 0.1045 35 HD1 36.1428 -8.0292 -5.4985 H 2 ARG2 0.0711 36 HD2 37.5187 -9.1067 -5.1518 H 2 ARG2 0.0711 37 NE 37.9809 -7.3643 -6.2148 N.pl3 2 ARG2 -0.4450 38 HE 38.4402 -6.5121 -5.9628 H 2 ARG2 0.3153 39 CZ 38.1357 -7.7746 -7.4722 C.cat 2 ARG2 0.5062 40 NH1 37.5706 -8.8699 -7.9078 N.pl3 2 ARG2 -0.4573 41 HH11 37.6992 -9.1636 -8.8525 H 2 ARG2 0.3114 42 HH12 37.0077 -9.4156 -7.2938 H 2 ARG2 0.3114 43 NH2 38.8685 -7.0671 -8.2897 N.pl3 2 ARG2 -0.4573 44 HH21 38.9950 -7.3604 -9.2347 H 2 ARG2 0.3114 45 HH22 39.3067 -6.2284 -7.9734 H 2 ARG2 0.3114 46 C 36.3870 -5.7800 -1.4060 C.2 2 ARG2 0.2187 47 O 35.2150 -5.4960 -1.6020 O.2 2 ARG2 -0.2778 48 N 37.3270 -4.8510 -1.2360 N.am 3 LEU3 -0.2456 49 H 38.2810 -5.1370 -1.0170 H 3 LEU3 0.1312 50 CA 37.0130 -3.4240 -1.3580 C.3 3 LEU3 0.0880 51 HA 36.1829 -3.2096 -0.6839 H 3 LEU3 0.0557 52 CB 38.2509 -2.5809 -0.9918 C.3 3 LEU3 -0.0266 53 HB1 38.1991 -1.5829 -1.4309 H 3 LEU3 0.0287 54 HB2 39.1330 -3.0467 -1.4331 H 3 LEU3 0.0287 55 CG 38.4421 -2.4163 0.5267 C.3 3 LEU3 -0.0449 56 HG 38.2612 -3.3772 1.0098 H 3 LEU3 0.0296 57 CD1 39.8822 -2.0006 0.8525 C.3 3 LEU3 -0.0626 58 HD11 40.0282 -1.9010 1.9285 H 3 LEU3 0.0232 59 HD12 40.1281 -1.0423 0.3938 H 3 LEU3 0.0232 60 HD13 40.5981 -2.7381 0.4891 H 3 LEU3 0.0232 61 CD2 37.4574 -1.3861 1.1044 C.3 3 LEU3 -0.0626 62 HD21 37.5852 -1.2840 2.1818 H 3 LEU3 0.0232 63 HD22 36.4208 -1.6616 0.9207 H 3 LEU3 0.0232 64 HD23 37.6154 -0.4016 0.6624 H 3 LEU3 0.0232 65 C 36.5400 -3.1520 -2.7560 C.2 3 LEU3 0.2185 66 O 36.5440 -4.0410 -3.5970 O.2 3 LEU3 -0.2778 67 N 36.1420 -1.9140 -3.0170 N.am 4 GLY4 -0.2485 68 H 36.1000 -1.2270 -2.2640 H 4 GLY4 0.1309 69 CA 35.7670 -1.5290 -4.3610 C.3 4 GLY4 0.0767 70 HA1 34.7644 -1.9213 -4.5080 H 4 GLY4 0.0521 71 HA2 36.4457 -2.0050 -5.0699 H 4 GLY4 0.0521 72 C 35.8460 -0.0450 -4.5640 C.2 4 GLY4 0.2182 73 O 36.6570 0.6260 -3.9490 O.2 4 GLY4 -0.2779 74 N 35.0110 0.4730 -5.4590 N.am 5 PRO5 -0.2318 75 CA 35.1090 1.8620 -5.7760 C.3 5 PRO5 0.0907 76 HA 36.1510 2.0964 -6.0057 H 5 PRO5 0.0559 77 CD 33.9814 -0.2507 -6.2032 C.3 5 PRO5 0.0071 78 HD1 33.3351 -0.8045 -5.5239 H 5 PRO5 0.0431 79 HD2 34.4901 -0.9256 -6.8931 H 5 PRO5 0.0431 80 CB 34.2340 2.0018 -7.0285 C.3 5 PRO5 -0.0276 81 HB1 34.8536 1.8512 -7.9132 H 5 PRO5 0.0285 82 HB2 33.7586 2.9788 -7.1313 H 5 PRO5 0.0285 83 CG 33.2259 0.8618 -6.9295 C.3 5 PRO5 -0.0379 84 HG1 32.3789 1.1868 -6.3246 H 5 PRO5 0.0278 85 HG2 32.8436 0.5502 -7.9017 H 5 PRO5 0.0278 86 C 34.6250 2.7740 -4.6570 C.2 5 PRO5 0.2189 87 O 33.8140 2.3840 -3.8060 O.2 5 PRO5 -0.2778 88 N 35.1690 3.9860 -4.6630 N.am 6 LEU6 -0.2456 89 H 35.8000 4.2350 -5.4250 H 6 LEU6 0.1312 90 CA 34.9030 4.9690 -3.6330 C.3 6 LEU6 0.0880 91 HA 35.0139 4.4945 -2.6568 H 6 LEU6 0.0557 92 CB 35.9123 6.1154 -3.8418 C.3 6 LEU6 -0.0266 93 HB1 35.8730 6.4199 -4.8891 H 6 LEU6 0.0287 94 HB2 36.9213 5.7333 -3.6833 H 6 LEU6 0.0287 95 CG 35.6949 7.3651 -2.9683 C.3 6 LEU6 -0.0449 96 HG 34.6689 7.7133 -3.0933 H 6 LEU6 0.0296 97 CD1 35.9146 7.0617 -1.4878 C.3 6 LEU6 -0.0626 98 HD11 35.7169 7.9508 -0.8924 H 6 LEU6 0.0232 99 HD12 36.9388 6.7413 -1.2973 H 6 LEU6 0.0232 100 HD13 35.2501 6.2759 -1.1383 H 6 LEU6 0.0232 101 CD2 36.6122 8.5101 -3.4152 C.3 6 LEU6 -0.0626 102 HD21 36.4385 9.4060 -2.8187 H 6 LEU6 0.0232 103 HD22 36.4335 8.7690 -4.4592 H 6 LEU6 0.0232 104 HD23 37.6624 8.2359 -3.3133 H 6 LEU6 0.0232 105 C 33.4740 5.4760 -3.8250 C.2 6 LEU6 0.2187 106 O 33.0570 5.7940 -4.9370 O.2 6 LEU6 -0.2778 107 N 32.7160 5.4900 -2.7430 N.am 7 LEU7 -0.2456 108 H 33.1140 5.1590 -1.8640 H 7 LEU7 0.1312 109 CA 31.3430 5.9550 -2.7500 C.3 7 LEU7 0.0880 110 HA 30.9648 5.9699 -3.7727 H 7 LEU7 0.0557 111 CB 30.5083 5.0010 -1.8780 C.3 7 LEU7 -0.0266 112 HB1 29.5080 5.4054 -1.7343 H 7 LEU7 0.0287 113 HB2 30.9524 4.9532 -0.8831 H 7 LEU7 0.0287 114 CG 30.3717 3.5785 -2.4442 C.3 7 LEU7 -0.0449 115 HG 31.3677 3.1847 -2.6435 H 7 LEU7 0.0296 116 CD1 29.6984 2.6679 -1.4087 C.3 7 LEU7 -0.0626 117 HD11 29.5376 1.6676 -1.8006 H 7 LEU7 0.0232 118 HD12 28.7330 3.0642 -1.1044 H 7 LEU7 0.0232 119 HD13 30.3059 2.5748 -0.5107 H 7 LEU7 0.0232 120 CD2 29.5891 3.5735 -3.7653 C.3 7 LEU7 -0.0626 121 HD21 29.4070 2.5629 -4.1243 H 7 LEU7 0.0232 122 HD22 30.1290 4.0999 -4.5519 H 7 LEU7 0.0232 123 HD23 28.6209 4.0558 -3.6477 H 7 LEU7 0.0232 124 C 31.2030 7.3540 -2.2110 C.2 7 LEU7 0.2185 125 O 30.2700 8.0610 -2.5840 O.2 7 LEU7 -0.2778 126 N 32.0970 7.7510 -1.3130 N.am 8 GLY8 -0.2485 127 H 32.9240 7.1780 -1.1440 H 8 GLY8 0.1309 128 CA 31.9200 8.9910 -0.5630 C.3 8 GLY8 0.0765 129 HA1 31.0890 8.8499 0.1284 H 8 GLY8 0.0521 130 HA2 31.6818 9.7939 -1.2632 H 8 GLY8 0.0521 131 C 33.1780 9.3070 0.2000 C.2 8 GLY8 0.2155 132 O 33.8150 8.3990 0.7140 O.2 8 GLY8 -0.2781 133 N 33.5660 10.5820 0.2210 N.am 9 LYS9 -0.2459 134 H 33.0400 11.2630 -0.3270 H 9 LYS9 0.1312 135 CA 34.7280 11.0490 1.0070 C.3 9 LYS9 0.0878 136 HA 34.9318 10.2978 1.7737 H 9 LYS9 0.0557 137 CB 35.9591 11.2299 0.1119 C.3 9 LYS9 -0.0289 138 HB1 35.7843 12.0355 -0.6027 H 9 LYS9 0.0285 139 HB2 36.1044 10.3230 -0.4760 H 9 LYS9 0.0285 140 CG 37.2259 11.5050 0.9357 C.3 9 LYS9 -0.0496 141 HG1 37.3911 10.6763 1.6272 H 9 LYS9 0.0266 142 HG2 37.0733 12.3911 1.5532 H 9 LYS9 0.0266 143 CD 38.4694 11.7110 0.0660 C.3 9 LYS9 -0.0278 144 HD1 38.2833 12.5272 -0.6336 H 9 LYS9 0.0282 145 HD2 38.6448 10.8177 -0.5355 H 9 LYS9 0.0282 146 CE 39.7067 12.0269 0.9152 C.3 9 LYS9 0.1103 147 HE1 39.9354 11.1879 1.5767 H 9 LYS9 0.0559 148 HE2 39.5151 12.8940 1.5518 H 9 LYS9 0.0559 149 NZ 40.8913 12.3131 0.1037 N.4 9 LYS9 -0.0749 150 HZ1 41.7013 12.5250 0.7220 H 9 LYS9 0.2742 151 HZ2 40.7068 13.1339 -0.5094 H 9 LYS9 0.2742 152 HZ3 41.1188 11.4894 -0.4904 H 9 LYS9 0.2742 153 C 34.3350 12.3370 1.7230 C.2 9 LYS9 0.2185 154 O 33.7720 13.2470 1.1170 O.2 9 LYS9 -0.2778 155 N 34.5960 12.4140 3.0120 N.am 10 GLY10 -0.2485 156 H 34.9360 11.5940 3.5140 H 10 GLY10 0.1309 157 CA 34.3970 13.6800 3.7260 C.3 10 GLY10 0.0765 158 HA1 33.3280 13.9020 3.7125 H 10 GLY10 0.0521 159 HA2 34.9340 14.4673 3.1962 H 10 GLY10 0.0521 160 C 34.8860 13.6140 5.1610 C.2 10 GLY10 0.2153 161 O 35.7310 12.7850 5.5090 O.2 10 GLY10 -0.2781 162 N 34.3350 14.4870 5.9990 N.am 11 GLY11 -0.2487 163 H 33.6690 15.1660 5.6320 H 11 GLY11 0.1309 164 CA 34.6480 14.5100 7.4290 C.3 11 GLY11 0.0765 165 HA1 34.0573 15.3064 7.8821 H 11 GLY11 0.0521 166 HA2 35.7067 14.7422 7.5459 H 11 GLY11 0.0521 167 C 34.3290 13.1950 8.1100 C.2 11 GLY11 0.2155 168 O 34.9970 12.8060 9.0900 O.2 11 GLY11 -0.2781 169 N 33.3050 12.5080 7.5940 N.am 12 PHE12 -0.2456 170 H 32.7720 12.9110 6.8240 H 12 PHE12 0.1312 171 CA 32.9290 11.1780 8.1150 C.3 12 PHE12 0.0917 172 HA 32.7308 11.3154 9.1796 H 12 PHE12 0.0560 173 CB 31.6410 10.6588 7.4445 C.3 12 PHE12 -0.0036 174 HB1 30.7914 11.2466 7.7952 H 12 PHE12 0.0333 175 HB2 31.4267 9.6347 7.7546 H 12 PHE12 0.0333 176 CG 31.6745 10.7249 5.9389 C.ar 12 PHE12 -0.0454 177 CD1 32.2890 9.7243 5.1909 C.ar 12 PHE12 -0.0585 178 HD1 32.7653 8.8940 5.6915 H 12 PHE12 0.0620 179 CD2 31.0438 11.7728 5.2747 C.ar 12 PHE12 -0.0585 180 HD2 30.5301 12.5411 5.8356 H 12 PHE12 0.0620 181 CE1 32.2856 9.7787 3.8031 C.ar 12 PHE12 -0.0615 182 HE1 32.7607 8.9962 3.2307 H 12 PHE12 0.0618 183 CE2 31.0373 11.8301 3.8895 C.ar 12 PHE12 -0.0615 184 HE2 30.5244 12.6409 3.3906 H 12 PHE12 0.0618 185 CZ 31.6561 10.8310 3.1535 C.ar 12 PHE12 -0.0617 186 HZ 31.6246 10.8714 2.0762 H 12 PHE12 0.0618 187 C 34.0710 10.1720 8.0160 C.2 12 PHE12 0.2188 188 O 34.0940 9.1940 8.7470 O.2 12 PHE12 -0.2778 189 N 35.0280 10.4350 7.1340 N.am 13 GLY13 -0.2485 190 H 35.0390 11.3470 6.6780 H 13 GLY13 0.1309 191 CA 36.0550 9.4740 6.7970 C.3 13 GLY13 0.0765 192 HA1 35.9806 8.5764 7.4146 H 13 GLY13 0.0521 193 HA2 37.0207 9.9527 6.9515 H 13 GLY13 0.0521 194 C 35.8480 9.1590 5.3290 C.2 13 GLY13 0.2156 195 O 35.6600 10.0520 4.4940 O.2 13 GLY13 -0.2781 196 N 35.8620 7.8780 5.0140 N.am 14 THR14 -0.2436 197 H 36.0010 7.1820 5.7460 H 14 THR14 0.1312 198 CA 35.6840 7.4500 3.6570 C.3 14 THR14 0.1135 199 HA 35.2222 8.2535 3.0796 H 14 THR14 0.0583 200 CB 37.0550 7.0802 3.0509 C.3 14 THR14 0.0763 201 HB 37.3896 6.1448 3.5197 H 14 THR14 0.0611 202 OG1 37.9889 8.1215 3.3154 O.3 14 THR14 -0.3900 203 HG1 38.8763 7.8378 3.1204 H 14 THR14 0.2098 204 CG2 36.9713 6.9125 1.5290 C.3 14 THR14 -0.0370 205 HG21 37.9407 6.6833 1.0893 H 14 THR14 0.0255 206 HG22 36.6171 7.8387 1.0794 H 14 THR14 0.0255 207 HG23 36.2880 6.1135 1.2426 H 14 THR14 0.0255 208 C 34.7430 6.2800 3.6270 C.2 14 THR14 0.2212 209 O 34.7190 5.4750 4.5630 O.2 14 THR14 -0.2777 210 N 33.9900 6.1710 2.5380 N.am 15 VAL15 -0.2453 211 H 34.0020 6.9250 1.8510 H 15 VAL15 0.1312 212 CA 33.1440 5.0040 2.2940 C.3 15 VAL15 0.0901 213 HA 33.3771 4.2412 3.0376 H 15 VAL15 0.0560 214 CB 31.6643 5.4284 2.4540 C.3 15 VAL15 -0.0227 215 HB 31.4548 6.2090 1.7199 H 15 VAL15 0.0315 216 CG1 30.6806 4.2708 2.2071 C.3 15 VAL15 -0.0608 217 HG11 29.6503 4.5950 2.3589 H 15 VAL15 0.0233 218 HG12 30.8721 3.4395 2.8868 H 15 VAL15 0.0233 219 HG13 30.7498 3.8935 1.1898 H 15 VAL15 0.0233 220 CG2 31.3911 6.0194 3.8445 C.3 15 VAL15 -0.0608 221 HG21 30.3763 6.4038 3.9029 H 15 VAL15 0.0233 222 HG22 32.0514 6.8485 4.0912 H 15 VAL15 0.0233 223 HG23 31.5009 5.2575 4.6143 H 15 VAL15 0.0233 224 C 33.3800 4.3850 0.9160 C.2 15 VAL15 0.2189 225 O 33.4640 5.0810 -0.1160 O.2 15 VAL15 -0.2778 226 N 33.4920 3.0630 0.9290 N.am 16 PHE16 -0.2453 227 H 33.3710 2.5820 1.8210 H 16 PHE16 0.1312 228 CA 33.7740 2.2600 -0.2400 C.3 16 PHE16 0.0917 229 HA 33.8269 2.9065 -1.1187 H 16 PHE16 0.0560 230 CB 35.1030 1.5112 -0.0452 C.3 16 PHE16 -0.0036 231 HB1 35.2811 0.8265 -0.8771 H 16 PHE16 0.0333 232 HB2 35.0633 0.8948 0.8544 H 16 PHE16 0.0333 233 CG 36.2812 2.4392 0.0474 C.ar 16 PHE16 -0.0454 234 CD1 36.9048 2.8953 -1.1092 C.ar 16 PHE16 -0.0585 235 HD1 36.5269 2.6002 -2.0780 H 16 PHE16 0.0620 236 CD2 36.7857 2.8202 1.2866 C.ar 16 PHE16 -0.0585 237 HD2 36.3074 2.4729 2.1911 H 16 PHE16 0.0620 238 CE1 38.0224 3.7145 -1.0303 C.ar 16 PHE16 -0.0615 239 HE1 38.5020 4.0565 -1.9355 H 16 PHE16 0.0618 240 CE2 37.9092 3.6312 1.3692 C.ar 16 PHE16 -0.0615 241 HE2 38.2975 3.9150 2.3360 H 16 PHE16 0.0618 242 CZ 38.5315 4.0743 0.2098 C.ar 16 PHE16 -0.0617 243 HZ 39.4083 4.7009 0.2725 H 16 PHE16 0.0618 244 C 32.7020 1.2160 -0.4760 C.2 16 PHE16 0.2190 245 O 32.1650 0.6530 0.4630 O.2 16 PHE16 -0.2778 246 N 32.4140 0.9480 -1.7430 N.am 17 ALA17 -0.2459 247 H 32.7470 1.5750 -2.4760 H 17 ALA17 0.1312 248 CA 31.6290 -0.2290 -2.1070 C.3 17 ALA17 0.0850 249 HA 30.7937 -0.3255 -1.4118 H 17 ALA17 0.0554 250 CB 31.1544 -0.0585 -3.5528 C.3 17 ALA17 -0.0411 251 HB1 30.7649 -0.9854 -3.9703 H 17 ALA17 0.0249 252 HB2 31.9734 0.2765 -4.1875 H 17 ALA17 0.0249 253 HB3 30.3707 0.6905 -3.6205 H 17 ALA17 0.0249 254 C 32.5360 -1.4400 -2.0000 C.2 17 ALA17 0.2182 255 O 33.7360 -1.3440 -2.2190 O.2 17 ALA17 -0.2778 256 N 31.9660 -2.5740 -1.6270 N.am 18 GLY18 -0.2485 257 H 30.9790 -2.5740 -1.3700 H 18 GLY18 0.1309 258 CA 32.7110 -3.8180 -1.5750 C.3 18 GLY18 0.0765 259 HA1 33.2930 -3.8115 -0.6525 H 18 GLY18 0.0521 260 HA2 33.3913 -3.8605 -2.4279 H 18 GLY18 0.0521 261 C 31.7980 -5.0230 -1.6040 C.2 18 GLY18 0.2155 262 O 30.6070 -4.9030 -1.8870 O.2 18 GLY18 -0.2781 263 N 32.3690 -6.1890 -1.3100 N.am 19 HIS19 -0.2455 264 H 33.3730 -6.2080 -1.1330 H 19 HIS19 0.1312 265 CA 31.6240 -7.4430 -1.2290 C.3 19 HIS19 0.0932 266 HA 30.5812 -7.1925 -1.0315 H 19 HIS19 0.0561 267 ND1 29.7480 -7.5309 -3.9470 N.ar 19 HIS19 -0.2469 268 CG 31.0695 -7.4786 -3.6743 C.ar 19 HIS19 0.0551 269 CB 31.7296 -8.2351 -2.5420 C.3 19 HIS19 0.0146 270 HB1 31.2326 -9.2025 -2.4477 H 19 HIS19 0.0348 271 HB2 32.7715 -8.4306 -2.7963 H 19 HIS19 0.0348 272 NE2 30.7117 -6.2245 -5.4742 N.ar 19 HIS19 -0.2539 273 HE2 30.8335 -5.6687 -6.2724 H 19 HIS19 0.1339 274 CD2 31.6795 -6.6435 -4.6255 C.ar 19 HIS19 0.0047 275 HD2 32.7311 -6.4028 -4.6764 H 19 HIS19 0.0764 276 CE1 29.5691 -6.8035 -5.0614 C.ar 19 HIS19 0.0737 277 HE1 28.6201 -6.7162 -5.5719 H 19 HIS19 0.0963 278 C 32.1070 -8.2850 -0.0720 C.2 19 HIS19 0.2190 279 O 33.3050 -8.3570 0.1850 O.2 19 HIS19 -0.2778 280 N 31.1910 -9.0720 0.5150 N.am 20 ARG20 -0.2456 281 H 30.1960 -8.9180 0.3520 H 20 ARG20 0.1312 282 CA 31.6280 -10.1280 1.3710 C.3 20 ARG20 0.0879 283 HA 32.6244 -9.9508 1.7743 H 20 ARG20 0.0557 284 CB 30.5458 -10.2304 2.4879 C.3 20 ARG20 -0.0258 285 HB1 29.6200 -10.6078 2.0539 H 20 ARG20 0.0286 286 HB2 30.2875 -9.2223 2.8076 H 20 ARG20 0.0286 287 CG 30.8642 -11.0556 3.7618 C.3 20 ARG20 -0.0154 288 HG1 31.7323 -10.6327 4.2620 H 20 ARG20 0.0299 289 HG2 31.1414 -12.0741 3.4891 H 20 ARG20 0.0299 290 CD 29.6545 -11.0934 4.7363 C.3 20 ARG20 0.1045 291 HD1 29.0399 -11.9818 4.5817 H 20 ARG20 0.0711 292 HD2 29.0072 -10.2325 4.5521 H 20 ARG20 0.0711 293 NE 29.9979 -10.9754 6.1609 N.pl3 20 ARG20 -0.4450 294 HE 30.2193 -10.0969 6.6021 H 20 ARG20 0.3153 295 CZ 30.0404 -11.9072 7.0986 C.cat 20 ARG20 0.5062 296 NH1 29.8260 -13.1653 6.8261 N.pl3 20 ARG20 -0.4573 297 HH11 29.8674 -13.8347 7.5620 H 20 ARG20 0.3114 298 HH12 29.6248 -13.4353 5.8909 H 20 ARG20 0.3114 299 NH2 30.2994 -11.5483 8.3211 N.pl3 20 ARG20 -0.4573 300 HH21 30.3397 -12.1788 9.0851 H 20 ARG20 0.3114 301 HH22 30.4802 -10.5666 8.5178 H 20 ARG20 0.3114 302 C 31.5630 -11.3440 0.5040 C.2 20 ARG20 0.2187 303 O 30.6380 -11.4690 -0.2980 O.2 20 ARG20 -0.2778 304 N 32.5470 -12.2630 0.6380 N.am 21 LEU21 -0.2456 305 H 33.2730 -12.1260 1.3420 H 21 LEU21 0.1312 306 CA 32.5800 -13.4300 -0.2010 C.3 21 LEU21 0.0880 307 HA 32.4635 -13.0969 -1.2345 H 21 LEU21 0.0557 308 CB 33.9256 -14.1567 -0.0274 C.3 21 LEU21 -0.0266 309 HB1 33.9656 -15.0036 -0.7148 H 21 LEU21 0.0287 310 HB2 33.9809 -14.5826 0.9759 H 21 LEU21 0.0287 311 CG 35.1614 -13.2605 -0.2511 C.3 21 LEU21 -0.0449 312 HG 35.1494 -12.4590 0.4866 H 21 LEU21 0.0296 313 CD1 36.4499 -14.0614 -0.0253 C.3 21 LEU21 -0.0626 314 HD11 37.3336 -13.4337 -0.1416 H 21 LEU21 0.0232 315 HD12 36.5312 -14.8822 -0.7392 H 21 LEU21 0.0232 316 HD13 36.4774 -14.4920 0.9761 H 21 LEU21 0.0232 317 CD2 35.1680 -12.6164 -1.6451 C.3 21 LEU21 -0.0626 318 HD21 36.0740 -12.0310 -1.8030 H 21 LEU21 0.0232 319 HD22 34.3206 -11.9448 -1.7828 H 21 LEU21 0.0232 320 HD23 35.1236 -13.3756 -2.4270 H 21 LEU21 0.0232 321 C 31.4310 -14.3160 0.1610 C.2 21 LEU21 0.2187 322 O 31.2910 -14.7780 1.2970 O.2 21 LEU21 -0.2778 323 N 30.5390 -14.4930 -0.8320 N.am 22 THR22 -0.2434 324 H 30.7360 -13.9950 -1.7000 H 22 THR22 0.1313 325 CA 29.3490 -15.2900 -0.8260 C.3 22 THR22 0.1135 326 HA 29.6207 -16.2905 -0.4891 H 22 THR22 0.0583 327 CB 28.2008 -14.6515 0.0124 C.3 22 THR22 0.0763 328 HB 27.7251 -13.8694 -0.5944 H 22 THR22 0.0611 329 OG1 28.6963 -14.0401 1.1969 O.3 22 THR22 -0.3900 330 HG1 27.9834 -13.6659 1.7032 H 22 THR22 0.2098 331 CG2 27.1487 -15.7073 0.4086 C.3 22 THR22 -0.0370 332 HG21 26.2631 -15.2530 0.8541 H 22 THR22 0.0255 333 HG22 27.5633 -16.4100 1.1316 H 22 THR22 0.0255 334 HG23 26.8058 -16.2922 -0.4426 H 22 THR22 0.0255 335 C 29.0140 -15.2970 -2.2990 C.2 22 THR22 0.2212 336 O 29.9570 -15.2320 -3.0890 O.2 22 THR22 -0.2777 337 N 27.7320 -15.4310 -2.7460 N.am 23 ASP23 -0.2450 338 H 26.9570 -15.5930 -2.1030 H 23 ASP23 0.1312 339 CA 27.5230 -15.3320 -4.1770 C.3 23 ASP23 0.0974 340 HA 28.3305 -15.9112 -4.6303 H 23 ASP23 0.0563 341 CB 26.2575 -16.0918 -4.6334 C.3 23 ASP23 0.0576 342 HB1 26.1364 -16.9942 -4.0357 H 23 ASP23 0.0394 343 HB2 26.4185 -16.4357 -5.6550 H 23 ASP23 0.0394 344 CG 24.9106 -15.3596 -4.6337 C.2 23 ASP23 0.1780 345 OD1 24.0302 -15.7750 -5.3828 O.co2 23 ASP23 -0.6478 346 OD2 24.7252 -14.3803 -3.9286 O.co2 23 ASP23 -0.6478 347 C 27.7570 -13.9100 -4.6480 C.2 23 ASP23 0.2192 348 O 28.5760 -13.6950 -5.5400 O.2 23 ASP23 -0.2778 349 N 27.0960 -12.9020 -4.0340 N.am 24 ARG24 -0.2456 350 H 26.3970 -13.1410 -3.3310 H 24 ARG24 0.1312 351 CA 27.3250 -11.5150 -4.3190 C.3 24 ARG24 0.0879 352 HA 28.3978 -11.3245 -4.3714 H 24 ARG24 0.0557 353 CB 26.5399 -11.0482 -5.5820 C.3 24 ARG24 -0.0258 354 HB1 26.6022 -9.9622 -5.6689 H 24 ARG24 0.0286 355 HB2 25.4922 -11.2637 -5.3834 H 24 ARG24 0.0286 356 CG 26.8958 -11.6443 -6.9619 C.3 24 ARG24 -0.0154 357 HG1 27.0659 -12.7093 -6.8862 H 24 ARG24 0.0299 358 HG2 27.8344 -11.2217 -7.3201 H 24 ARG24 0.0299 359 CD 25.7749 -11.4492 -8.0135 C.3 24 ARG24 0.1045 360 HD1 25.9629 -12.0172 -8.9276 H 24 ARG24 0.0711 361 HD2 25.6884 -10.3966 -8.2888 H 24 ARG24 0.0711 362 NE 24.4725 -11.8501 -7.4681 N.pl3 24 ARG24 -0.4450 363 HE 23.7105 -11.2154 -7.3789 H 24 ARG24 0.3153 364 CZ 24.2390 -13.0654 -6.9776 C.cat 24 ARG24 0.5062 365 NH1 25.0068 -14.0735 -7.2632 N.pl3 24 ARG24 -0.4573 366 HH11 24.7849 -14.9285 -6.7788 H 24 ARG24 0.3114 367 HH12 25.7665 -14.0145 -7.8956 H 24 ARG24 0.3114 368 NH2 23.2362 -13.2680 -6.1760 N.pl3 24 ARG24 -0.4573 369 HH21 23.2414 -14.1612 -5.6979 H 24 ARG24 0.3114 370 HH22 22.5206 -12.6099 -5.9917 H 24 ARG24 0.3114 371 C 26.7120 -10.7950 -3.1620 C.2 24 ARG24 0.2187 372 O 25.5750 -10.3350 -3.2810 O.2 24 ARG24 -0.2778 373 N 27.4330 -10.6400 -2.0230 N.am 25 LEU25 -0.2456 374 H 28.3650 -11.0460 -1.9430 H 25 LEU25 0.1312 375 CA 26.8630 -9.8920 -0.9220 C.3 25 LEU25 0.0880 376 HA 25.7942 -9.7341 -1.0776 H 25 LEU25 0.0557 377 CB 27.0500 -10.6910 0.3771 C.3 25 LEU25 -0.0266 378 HB1 28.0880 -11.0143 0.4572 H 25 LEU25 0.0287 379 HB2 26.4630 -11.6067 0.2958 H 25 LEU25 0.0287 380 CG 26.6450 -9.9418 1.6643 C.3 25 LEU25 -0.0449 381 HG 27.3693 -9.1449 1.8393 H 25 LEU25 0.0296 382 CD1 25.2553 -9.2956 1.5653 C.3 25 LEU25 -0.0626 383 HD11 24.9764 -8.8268 2.5093 H 25 LEU25 0.0232 384 HD12 24.4926 -10.0360 1.3228 H 25 LEU25 0.0232 385 HD13 25.2237 -8.5172 0.8034 H 25 LEU25 0.0232 386 CD2 26.6973 -10.8879 2.8677 C.3 25 LEU25 -0.0626 387 HD21 26.5268 -10.3495 3.8003 H 25 LEU25 0.0232 388 HD22 27.6654 -11.3765 2.9324 H 25 LEU25 0.0232 389 HD23 25.9395 -11.6678 2.7866 H 25 LEU25 0.0232 390 C 27.5510 -8.5600 -0.8880 C.2 25 LEU25 0.2187 391 O 28.6680 -8.4260 -0.3940 O.2 25 LEU25 -0.2778 392 N 26.8660 -7.5260 -1.4010 N.am 26 GLN26 -0.2456 393 H 25.9080 -7.7380 -1.6820 H 26 GLN26 0.1312 394 CA 27.2870 -6.1360 -1.6190 C.3 26 GLN26 0.0882 395 HA 28.2771 -6.1659 -2.0749 H 26 GLN26 0.0557 396 CB 26.2487 -5.4624 -2.5281 C.3 26 GLN26 -0.0210 397 HB1 26.5285 -4.4240 -2.7038 H 26 GLN26 0.0289 398 HB2 25.2930 -5.4121 -2.0004 H 26 GLN26 0.0289 399 CG 26.0924 -6.1908 -3.8813 C.3 26 GLN26 0.0225 400 HG1 26.7389 -7.0659 -3.9554 H 26 GLN26 0.0356 401 HG2 26.3819 -5.5293 -4.6961 H 26 GLN26 0.0356 402 CD 24.6475 -6.6427 -4.1324 C.2 26 GLN26 0.1981 403 OE1 23.8907 -5.9956 -4.8379 O.2 26 GLN26 -0.2798 404 NE2 24.3094 -7.7837 -3.5193 N.am 26 GLN26 -0.2724 405 HE21 23.3750 -8.1284 -3.6007 H 26 GLN26 0.1266 406 HE22 24.9599 -8.3194 -2.9815 H 26 GLN26 0.1266 407 C 27.3540 -5.4590 -0.2570 C.2 26 GLN26 0.2187 408 O 26.4080 -5.5440 0.5340 O.2 26 GLN26 -0.2778 409 N 28.4570 -4.7710 0.0190 N.am 27 VAL27 -0.2454 410 H 29.2240 -4.7500 -0.6530 H 27 VAL27 0.1312 411 CA 28.5760 -4.0460 1.2800 C.3 27 VAL27 0.0901 412 HA 27.5754 -3.8503 1.6748 H 27 VAL27 0.0560 413 CB 29.3732 -4.8711 2.3120 C.3 27 VAL27 -0.0227 414 HB 29.4249 -4.2816 3.2302 H 27 VAL27 0.0315 415 CG1 28.6505 -6.1767 2.6775 C.3 27 VAL27 -0.0608 416 HG11 29.0916 -6.6393 3.5592 H 27 VAL27 0.0233 417 HG12 28.6886 -6.9017 1.8642 H 27 VAL27 0.0233 418 HG13 27.6008 -5.9902 2.9048 H 27 VAL27 0.0233 419 CG2 30.8171 -5.1415 1.8575 C.3 27 VAL27 -0.0608 420 HG21 31.4266 -5.4456 2.7027 H 27 VAL27 0.0233 421 HG22 31.2981 -4.2577 1.4406 H 27 VAL27 0.0233 422 HG23 30.8539 -5.9270 1.1046 H 27 VAL27 0.0233 423 C 29.2360 -2.6710 1.1100 C.2 27 VAL27 0.2189 424 O 29.9170 -2.3990 0.1190 O.2 27 VAL27 -0.2778 425 N 29.0110 -1.8100 2.0890 N.am 28 ALA28 -0.2459 426 H 28.3490 -2.0530 2.8260 H 28 ALA28 0.1312 427 CA 29.6810 -0.5400 2.1330 C.3 28 ALA28 0.0850 428 HA 30.1954 -0.3465 1.1939 H 28 ALA28 0.0554 429 CB 28.6516 0.5673 2.3929 C.3 28 ALA28 -0.0411 430 HB1 29.1324 1.5371 2.5273 H 28 ALA28 0.0249 431 HB2 28.0575 0.3599 3.2821 H 28 ALA28 0.0249 432 HB3 27.9591 0.6595 1.5568 H 28 ALA28 0.0249 433 C 30.6750 -0.6430 3.2620 C.2 28 ALA28 0.2184 434 O 30.3440 -1.0150 4.3980 O.2 28 ALA28 -0.2778 435 N 31.9120 -0.3430 2.9440 N.am 29 ILE29 -0.2454 436 H 32.1320 -0.0570 1.9900 H 29 ILE29 0.1312 437 CA 32.9520 -0.4120 3.9170 C.3 29 ILE29 0.0903 438 HA 32.5966 -0.8875 4.8332 H 29 ILE29 0.0560 439 CB 34.1114 -1.2640 3.3516 C.3 29 ILE29 -0.0201 440 HB 34.4138 -0.8299 2.3971 H 29 ILE29 0.0318 441 CG1 33.6416 -2.7159 3.0936 C.3 29 ILE29 -0.0514 442 HG11 32.6675 -2.7192 2.6059 H 29 ILE29 0.0266 443 HG12 33.4938 -3.2262 4.0465 H 29 ILE29 0.0266 444 CG2 35.3291 -1.2469 4.2949 C.3 29 ILE29 -0.0605 445 HG21 36.1392 -1.8696 3.9191 H 29 ILE29 0.0233 446 HG22 35.0612 -1.6140 5.2865 H 29 ILE29 0.0233 447 HG23 35.7317 -0.2403 4.4131 H 29 ILE29 0.0233 448 CD1 34.5894 -3.5328 2.2065 C.3 29 ILE29 -0.0650 449 HD11 34.2044 -4.5421 2.0603 H 29 ILE29 0.0230 450 HD12 35.5839 -3.6177 2.6433 H 29 ILE29 0.0230 451 HD13 34.6881 -3.0748 1.2229 H 29 ILE29 0.0230 452 C 33.3480 1.0070 4.2390 C.2 29 ILE29 0.2189 453 O 33.8390 1.7340 3.3690 O.2 29 ILE29 -0.2778 454 N 33.1470 1.3880 5.4950 N.am 30 LYS30 -0.2456 455 H 32.7310 0.7310 6.1550 H 30 LYS30 0.1312 456 CA 33.5040 2.7090 5.9450 C.3 30 LYS30 0.0878 457 HA 33.6016 3.3751 5.0889 H 30 LYS30 0.0557 458 CB 32.3409 3.1954 6.8451 C.3 30 LYS30 -0.0289 459 HB1 32.2332 2.5076 7.6823 H 30 LYS30 0.0285 460 HB2 31.4116 3.1102 6.2802 H 30 LYS30 0.0285 461 CG 32.4378 4.6382 7.3930 C.3 30 LYS30 -0.0496 462 HG1 32.4673 5.3407 6.5614 H 30 LYS30 0.0266 463 HG2 33.3744 4.7765 7.9347 H 30 LYS30 0.0266 464 CD 31.2611 4.9857 8.3355 C.3 30 LYS30 -0.0278 465 HD1 31.4059 4.4652 9.2832 H 30 LYS30 0.0282 466 HD2 30.3309 4.5966 7.9194 H 30 LYS30 0.0282 467 CE 31.0802 6.4957 8.5906 C.3 30 LYS30 0.1103 468 HE1 30.7967 6.9912 7.6600 H 30 LYS30 0.0559 469 HE2 32.0162 6.9493 8.9216 H 30 LYS30 0.0559 470 NZ 30.0585 6.8258 9.5853 N.4 30 LYS30 -0.0749 471 HZ1 29.7309 7.8089 9.4837 H 30 LYS30 0.2742 472 HZ2 30.3855 6.6194 10.5545 H 30 LYS30 0.2742 473 HZ3 29.2206 6.2131 9.5041 H 30 LYS30 0.2742 474 C 34.8050 2.6970 6.7370 C.2 30 LYS30 0.2187 475 O 35.0270 1.8200 7.5930 O.2 30 LYS30 -0.2778 476 N 35.6400 3.7010 6.4760 N.am 31 VAL31 -0.2454 477 H 35.3400 4.4390 5.8390 H 31 VAL31 0.1312 478 CA 36.9650 3.7790 7.0690 C.3 31 VAL31 0.0901 479 HA 37.1052 2.9264 7.7374 H 31 VAL31 0.0560 480 CB 38.0371 3.7191 5.9611 C.3 31 VAL31 -0.0227 481 HB 37.9534 4.6188 5.3496 H 31 VAL31 0.0315 482 CG1 39.4550 3.6757 6.5556 C.3 31 VAL31 -0.0608 483 HG11 40.2084 3.6329 5.7689 H 31 VAL31 0.0233 484 HG12 39.5874 2.7988 7.1903 H 31 VAL31 0.0233 485 HG13 39.6651 4.5579 7.1610 H 31 VAL31 0.0233 486 CG2 37.8192 2.5129 5.0315 C.3 31 VAL31 -0.0608 487 HG21 38.6159 2.4378 4.2914 H 31 VAL31 0.0233 488 HG22 36.8790 2.5884 4.4851 H 31 VAL31 0.0233 489 HG23 37.7993 1.5790 5.5930 H 31 VAL31 0.0233 490 C 37.0760 5.0480 7.9000 C.2 31 VAL31 0.2189 491 O 37.0020 6.1550 7.3670 O.2 31 VAL31 -0.2778 492 N 37.2150 4.8460 9.2120 N.am 32 ILE32 -0.2454 493 H 37.2240 3.8810 9.5430 H 32 ILE32 0.1312 494 CA 37.3560 5.9060 10.2120 C.3 32 ILE32 0.0906 495 HA 36.9933 6.8313 9.7770 H 32 ILE32 0.0560 496 CB 36.4460 5.5673 11.4200 C.3 32 ILE32 -0.0201 497 HB 36.7902 4.6266 11.8527 H 32 ILE32 0.0318 498 CG1 34.9768 5.3574 10.9843 C.3 32 ILE32 -0.0514 499 HG11 34.9179 4.5865 10.2161 H 32 ILE32 0.0266 500 HG12 34.5933 6.2711 10.5285 H 32 ILE32 0.0266 501 CG2 36.5449 6.6459 12.5165 C.3 32 ILE32 -0.0605 502 HG21 35.9885 6.3569 13.4080 H 32 ILE32 0.0233 503 HG22 36.1421 7.5990 12.1724 H 32 ILE32 0.0233 504 HG23 37.5727 6.8158 12.8355 H 32 ILE32 0.0233 505 CD1 34.0430 4.9341 12.1267 C.3 32 ILE32 -0.0650 506 HD11 33.0521 4.6826 11.7468 H 32 ILE32 0.0230 507 HD12 33.9094 5.7354 12.8536 H 32 ILE32 0.0230 508 HD13 34.4292 4.0626 12.6545 H 32 ILE32 0.0230 509 C 38.8310 5.9290 10.6480 C.2 32 ILE32 0.2216 510 O 39.3780 4.8800 11.0160 O.2 32 ILE32 -0.2776 511 N 39.4830 7.1090 10.5990 N.am 33 PRO33 -0.2316 512 CA 40.8970 7.2180 11.0260 C.3 33 PRO33 0.0907 513 HA 41.4463 6.4043 10.5531 H 33 PRO33 0.0559 514 CD 38.9492 8.3556 10.0521 C.3 33 PRO33 0.0071 515 HD1 38.4309 8.8776 10.8569 H 33 PRO33 0.0431 516 HD2 38.2917 8.1886 9.2009 H 33 PRO33 0.0431 517 CB 41.3310 8.5908 10.4756 C.3 33 PRO33 -0.0276 518 HB1 42.2882 8.5451 9.9606 H 33 PRO33 0.0285 519 HB2 41.4517 9.3251 11.2715 H 33 PRO33 0.0285 520 CG 40.2063 9.0723 9.5663 C.3 33 PRO33 -0.0379 521 HG1 40.0965 10.1567 9.5635 H 33 PRO33 0.0278 522 HG2 40.4220 8.7627 8.5432 H 33 PRO33 0.0278 523 C 41.1660 7.2360 12.5550 C.2 33 PRO33 0.2189 524 O 40.2380 7.4170 13.3610 O.2 33 PRO33 -0.2778 525 N 42.4400 6.9860 12.9020 N.am 34 ARG34 -0.2456 526 H 43.0470 6.6780 12.1420 H 34 ARG34 0.1312 527 CA 43.0700 7.0900 14.1860 C.3 34 ARG34 0.0879 528 HA 42.7284 8.0198 14.6435 H 34 ARG34 0.0557 529 CB 42.7673 5.8750 15.0865 C.3 34 ARG34 -0.0258 530 HB1 42.9034 4.9509 14.5248 H 34 ARG34 0.0286 531 HB2 41.7057 5.9211 15.3332 H 34 ARG34 0.0286 532 CG 43.6021 5.8096 16.3906 C.3 34 ARG34 -0.0154 533 HG1 43.8221 6.8174 16.7458 H 34 ARG34 0.0299 534 HG2 44.5526 5.3121 16.1966 H 34 ARG34 0.0299 535 CD 42.9153 5.0998 17.5456 C.3 34 ARG34 0.1045 536 HD1 42.1432 5.7684 17.8939 H 34 ARG34 0.0711 537 HD2 43.5813 4.8601 18.3808 H 34 ARG34 0.0711 538 NE 42.2249 3.9262 17.0541 N.pl3 34 ARG34 -0.4450 539 HE 41.3833 4.0296 16.5327 H 34 ARG34 0.3153 540 CZ 42.6144 2.6768 17.2127 C.cat 34 ARG34 0.5062 541 NH1 43.5841 2.2844 18.0019 N.pl3 34 ARG34 -0.4573 542 HH11 43.8822 1.3283 17.9384 H 34 ARG34 0.3114 543 HH12 44.0432 2.8774 18.6778 H 34 ARG34 0.3114 544 NH2 41.9681 1.8074 16.5049 N.pl3 34 ARG34 -0.4573 545 HH21 42.3241 0.8717 16.4966 H 34 ARG34 0.3114 546 HH22 41.1635 2.0276 15.9632 H 34 ARG34 0.3114 547 C 44.5220 7.2590 13.8030 C.2 34 ARG34 0.2187 548 O 44.7960 7.3760 12.6070 O.2 34 ARG34 -0.2778 549 N 45.4930 7.2260 14.7560 N.am 35 ASN35 -0.2452 550 H 45.2040 7.0070 15.7090 H 35 ASN35 0.1312 551 CA 46.9070 7.4760 14.5310 C.3 35 ASN35 0.0957 552 HA 46.9835 8.5205 14.2193 H 35 ASN35 0.0562 553 CB 47.6943 7.2505 15.8279 C.3 35 ASN35 0.0446 554 HB1 48.7618 7.3916 15.6542 H 35 ASN35 0.0375 555 HB2 47.5528 6.2358 16.1999 H 35 ASN35 0.0375 556 CG 47.2550 8.2325 16.9221 C.2 35 ASN35 0.2000 557 OD1 46.1839 8.8252 16.8833 O.2 35 ASN35 -0.2797 558 ND2 48.1609 8.3643 17.8959 N.am 35 ASN35 -0.2723 559 HD21 47.9563 9.0152 18.6282 H 35 ASN35 0.1266 560 HD22 49.0129 7.8453 17.9204 H 35 ASN35 0.1266 561 C 47.4750 6.6320 13.3990 C.2 35 ASN35 0.2191 562 O 48.3470 7.1040 12.6690 O.2 35 ASN35 -0.2778 563 N 46.9680 5.3970 13.1810 N.am 36 ARG36 -0.2456 564 H 46.2200 5.0690 13.7920 H 36 ARG36 0.1312 565 CA 47.4260 4.5150 12.1310 C.3 36 ARG36 0.0879 566 HA 48.4777 4.3502 12.3715 H 36 ARG36 0.0557 567 CB 46.6931 3.1704 12.1658 C.3 36 ARG36 -0.0258 568 HB1 45.7162 3.2465 11.6941 H 36 ARG36 0.0286 569 HB2 46.5077 2.9249 13.2111 H 36 ARG36 0.0286 570 CG 47.5205 2.0490 11.5137 C.3 36 ARG36 -0.0154 571 HG1 48.5703 2.1599 11.7876 H 36 ARG36 0.0299 572 HG2 47.4813 2.1573 10.4291 H 36 ARG36 0.0299 573 CD 47.0738 0.6375 11.9160 C.3 36 ARG36 0.1045 574 HD1 47.6710 -0.1117 11.3917 H 36 ARG36 0.0711 575 HD2 46.0317 0.4548 11.6459 H 36 ARG36 0.0711 576 NE 47.3030 0.4222 13.3520 N.pl3 36 ARG36 -0.4450 577 HE 48.2278 0.3584 13.7203 H 36 ARG36 0.3153 578 CZ 46.3438 0.2949 14.2691 C.cat 36 ARG36 0.5062 579 NH1 45.0891 0.3609 13.9502 N.pl3 36 ARG36 -0.4573 580 HH11 44.4126 0.2120 14.6877 H 36 ARG36 0.3114 581 HH12 44.7643 0.5363 13.0315 H 36 ARG36 0.3114 582 NH2 46.6446 0.0985 15.5212 N.pl3 36 ARG36 -0.4573 583 HH21 45.8692 -0.0147 16.1571 H 36 ARG36 0.3114 584 HH22 47.5739 0.0566 15.8689 H 36 ARG36 0.3114 585 C 47.4030 5.2390 10.8030 C.2 36 ARG36 0.2187 586 O 48.4020 5.2250 10.0870 O.2 36 ARG36 -0.2778 587 N 46.2930 5.9110 10.4420 N.am 37 VAL37 -0.2454 588 H 45.4730 5.9370 11.0480 H 37 VAL37 0.1312 589 CA 46.3000 6.5900 9.1760 C.3 37 VAL37 0.0901 590 HA 47.2491 6.4637 8.6527 H 37 VAL37 0.0560 591 CB 45.1790 6.0397 8.2643 C.3 37 VAL37 -0.0227 592 HB 45.3161 6.4835 7.2770 H 37 VAL37 0.0315 593 CG1 45.3039 4.5190 8.0838 C.3 37 VAL37 -0.0608 594 HG11 44.5820 4.1522 7.3538 H 37 VAL37 0.0233 595 HG12 45.1270 3.9842 9.0166 H 37 VAL37 0.0233 596 HG13 46.2988 4.2485 7.7292 H 37 VAL37 0.0233 597 CG2 43.7646 6.4236 8.7266 C.3 37 VAL37 -0.0608 598 HG21 43.0008 5.9005 8.1515 H 37 VAL37 0.0233 599 HG22 43.5912 7.4883 8.5872 H 37 VAL37 0.0233 600 HG23 43.6108 6.2025 9.7808 H 37 VAL37 0.0233 601 C 46.1460 8.0480 9.4410 C.2 37 VAL37 0.2189 602 O 45.4420 8.4340 10.3730 O.2 37 VAL37 -0.2778 603 N 46.8450 8.8940 8.6520 N.am 38 LEU38 -0.2456 604 H 47.4280 8.4870 7.9200 H 38 LEU38 0.1312 605 CA 46.8240 10.3310 8.7720 C.3 38 LEU38 0.0880 606 HA 47.1902 10.6696 7.8041 H 38 LEU38 0.0557 607 CB 45.4332 10.9599 9.0034 C.3 38 LEU38 -0.0266 608 HB1 45.5277 12.0457 9.0470 H 38 LEU38 0.0287 609 HB2 45.0628 10.6662 9.9785 H 38 LEU38 0.0287 610 CG 44.3713 10.5973 7.9491 C.3 38 LEU38 -0.0449 611 HG 44.2886 9.5126 7.8980 H 38 LEU38 0.0296 612 CD1 42.9986 11.1382 8.3709 C.3 38 LEU38 -0.0626 613 HD11 42.2205 10.8361 7.6698 H 38 LEU38 0.0232 614 HD12 43.0016 12.2273 8.4235 H 38 LEU38 0.0232 615 HD13 42.7173 10.7647 9.3546 H 38 LEU38 0.0232 616 CD2 44.7433 11.1093 6.5514 C.3 38 LEU38 -0.0626 617 HD21 43.9568 10.8803 5.8324 H 38 LEU38 0.0232 618 HD22 45.6595 10.6462 6.1864 H 38 LEU38 0.0232 619 HD23 44.8888 12.1898 6.5548 H 38 LEU38 0.0232 620 C 47.8530 10.7810 9.7740 C.2 38 LEU38 0.2185 621 O 48.1420 10.1090 10.7650 O.2 38 LEU38 -0.2778 622 N 48.4170 11.9750 9.5210 N.am 39 GLY39 -0.2485 623 H 48.1020 12.4600 8.6810 H 39 GLY39 0.1309 624 CA 49.4190 12.6410 10.3110 C.3 39 GLY39 0.0765 625 HA1 49.7341 13.5341 9.7732 H 39 GLY39 0.0521 626 HA2 50.2668 11.9647 10.4268 H 39 GLY39 0.0521 627 C 48.8760 13.0130 11.6550 C.2 39 GLY39 0.2155 628 O 49.6280 13.1530 12.6210 O.2 39 GLY39 -0.2781 629 N 47.5440 13.2230 11.7320 N.am 40 TRP40 -0.2456 630 H 46.9830 13.0440 10.8990 H 40 TRP40 0.1312 631 CA 46.8670 13.6840 12.9160 C.3 40 TRP40 0.0918 632 HA 47.4459 14.5556 13.2276 H 40 TRP40 0.0560 633 CB 45.4398 14.1969 12.6006 C.3 40 TRP40 -0.0021 634 HB1 45.4854 14.8750 11.7481 H 40 TRP40 0.0334 635 HB2 45.0957 14.8007 13.4413 H 40 TRP40 0.0334 636 CG 44.3587 13.1562 12.3235 C.ar 40 TRP40 -0.0260 637 CD2 42.9643 13.4511 12.0853 C.ar 40 TRP40 -0.0028 638 CD1 44.4655 11.7628 12.2293 C.ar 40 TRP40 -0.0136 639 HD1 45.3639 11.1676 12.2637 H 40 TRP40 0.0748 640 NE1 43.2364 11.2194 12.0570 N.ar 40 TRP40 -0.2641 641 HE1 43.0589 10.2582 11.9824 H 40 TRP40 0.1331 642 CE2 42.2815 12.2194 11.9640 C.ar 40 TRP40 0.0269 643 CE3 42.2690 14.6249 11.9784 C.ar 40 TRP40 -0.0528 644 HE3 42.7963 15.5640 12.0342 H 40 TRP40 0.0624 645 CZ2 40.9249 12.2016 11.7774 C.ar 40 TRP40 -0.0430 646 HZ2 40.3993 11.2618 11.7026 H 40 TRP40 0.0633 647 CZ3 40.8876 14.6130 11.7856 C.ar 40 TRP40 -0.0611 648 HZ3 40.3396 15.5418 11.7143 H 40 TRP40 0.0618 649 CH2 40.2127 13.3975 11.6911 C.ar 40 TRP40 -0.0602 650 HH2 39.1414 13.3836 11.5478 H 40 TRP40 0.0618 651 C 46.9610 12.6930 14.0450 C.2 40 TRP40 0.2191 652 O 46.9170 11.4740 13.8680 O.2 40 TRP40 -0.2778 653 N 47.1580 13.2080 15.2690 N.am 41 SER41 -0.2436 654 H 47.3740 14.1960 15.4030 H 41 SER41 0.1312 655 CA 47.0510 12.3100 16.3780 C.3 41 SER41 0.1111 656 HA 46.4357 11.4401 16.1466 H 41 SER41 0.0580 657 CB 48.4803 11.8530 16.7278 C.3 41 SER41 0.0681 658 HB1 49.1297 12.7320 16.8115 H 41 SER41 0.0577 659 HB2 48.8613 11.2406 15.9033 H 41 SER41 0.0577 660 OG 48.5145 11.1107 17.9384 O.3 41 SER41 -0.3930 661 HG 49.4013 10.8422 18.1617 H 41 SER41 0.2095 662 C 46.4250 13.0570 17.5140 C.2 41 SER41 0.2236 663 O 47.1840 13.5420 18.3470 O.2 41 SER41 -0.2775 664 N 45.1140 13.1460 17.6750 N.am 42 PRO42 -0.2315 665 CA 44.5750 13.9120 18.7740 C.3 42 PRO42 0.0907 666 HA 44.9809 14.9236 18.7164 H 42 PRO42 0.0559 667 CD 44.1273 12.5151 16.8059 C.3 42 PRO42 0.0071 668 HD1 44.3675 11.4599 16.6654 H 42 PRO42 0.0431 669 HD2 44.1390 13.0444 15.8515 H 42 PRO42 0.0431 670 CB 43.0664 13.9104 18.4899 C.3 42 PRO42 -0.0276 671 HB1 42.8131 14.8247 17.9558 H 42 PRO42 0.0285 672 HB2 42.4463 13.8863 19.3876 H 42 PRO42 0.0285 673 CG 42.8212 12.7076 17.5773 C.3 42 PRO42 -0.0379 674 HG1 42.6352 11.8259 18.1919 H 42 PRO42 0.0278 675 HG2 41.9612 12.8423 16.9207 H 42 PRO42 0.0278 676 C 44.8900 13.3540 20.1310 C.2 42 PRO42 0.2189 677 O 44.9570 14.1260 21.0880 O.2 42 PRO42 -0.2778 678 N 45.0630 12.0210 20.2310 N.am 43 LEU43 -0.2456 679 H 44.9400 11.4660 19.3840 H 43 LEU43 0.1312 680 CA 45.4070 11.3220 21.4390 C.3 43 LEU43 0.0880 681 HA 45.9085 12.0051 22.1256 H 43 LEU43 0.0557 682 CB 44.1618 10.6473 22.0474 C.3 43 LEU43 -0.0266 683 HB1 44.4554 10.0233 22.8931 H 43 LEU43 0.0287 684 HB2 43.7354 9.9648 21.3099 H 43 LEU43 0.0287 685 CG 43.0653 11.6247 22.5077 C.3 43 LEU43 -0.0449 686 HG 42.7978 12.2730 21.6730 H 43 LEU43 0.0296 687 CD1 41.7990 10.8571 22.9071 C.3 43 LEU43 -0.0626 688 HD11 40.9980 11.5391 23.1934 H 43 LEU43 0.0232 689 HD12 41.9941 10.1990 23.7532 H 43 LEU43 0.0232 690 HD13 41.4321 10.2431 22.0842 H 43 LEU43 0.0232 691 CD2 43.5390 12.5085 23.6697 C.3 43 LEU43 -0.0626 692 HD21 42.7480 13.1866 23.9905 H 43 LEU43 0.0232 693 HD22 44.3951 13.1204 23.3886 H 43 LEU43 0.0232 694 HD23 43.8286 11.9045 24.5299 H 43 LEU43 0.0232 695 C 46.3860 10.2790 20.9790 C.2 43 LEU43 0.2187 696 O 46.5350 10.1150 19.7660 O.2 43 LEU43 -0.2778 697 N 47.1190 9.6290 21.9210 N.am 44 SER44 -0.2436 698 H 47.0340 9.9270 22.8930 H 44 SER44 0.1312 699 CA 48.0120 8.5370 21.6130 C.3 44 SER44 0.1109 700 HA 48.6144 8.8440 20.7567 H 44 SER44 0.0580 701 CB 48.9249 8.2397 22.8137 C.3 44 SER44 0.0681 702 HB1 49.5954 7.4100 22.5607 H 44 SER44 0.0577 703 HB2 48.3221 7.9350 23.6764 H 44 SER44 0.0577 704 OG 49.6822 9.3982 23.1433 O.3 44 SER44 -0.3930 705 HG 50.2781 9.2298 23.8691 H 44 SER44 0.2095 706 C 47.2210 7.3230 21.2310 C.2 44 SER44 0.2209 707 O 47.3080 6.8460 20.1040 O.2 44 SER44 -0.2777 708 N 46.4120 6.7970 22.1690 N.am 45 ASP45 -0.2451 709 H 46.3660 7.2200 23.0960 H 45 ASP45 0.1312 710 CA 45.6180 5.6480 21.8690 C.3 45 ASP45 0.0974 711 HA 45.6734 5.5586 20.7843 H 45 ASP45 0.0563 712 CB 45.9653 4.2270 22.3538 C.3 45 ASP45 0.0576 713 HB1 45.3364 3.9174 23.1870 H 45 ASP45 0.0394 714 HB2 46.9996 4.1969 22.6937 H 45 ASP45 0.0394 715 CG 45.8173 3.1875 21.1839 C.2 45 ASP45 0.1780 716 OD1 46.5838 2.2344 21.1506 O.co2 45 ASP45 -0.6478 717 OD2 44.9544 3.3363 20.3050 O.co2 45 ASP45 -0.6478 718 C 44.2140 6.1370 21.9440 C.2 45 ASP45 0.2193 719 O 43.9440 7.1500 22.5880 O.2 45 ASP45 -0.2778 720 N 43.2680 5.4580 21.2620 N.am 46 SER46 -0.2436 721 H 43.5170 4.6500 20.6920 H 46 SER46 0.1312 722 CA 41.8980 5.8980 21.3560 C.3 46 SER46 0.1109 723 HA 41.8780 6.9882 21.4123 H 46 SER46 0.0580 724 CB 40.9712 5.4540 20.2198 C.3 46 SER46 0.0681 725 HB1 41.0236 6.1855 19.4222 H 46 SER46 0.0577 726 HB2 39.9199 5.5110 20.5088 H 46 SER46 0.0577 727 OG 41.2516 4.1650 19.7082 O.3 46 SER46 -0.3930 728 HG 41.3758 3.5650 20.4421 H 46 SER46 0.2095 729 C 41.3310 5.3430 22.6320 C.2 46 SER46 0.2209 730 O 41.4970 4.1600 22.9150 O.2 46 SER46 -0.2777 731 N 40.6550 6.2040 23.4330 N.am 47 VAL47 -0.2453 732 H 40.5570 7.1730 23.1290 H 47 VAL47 0.1312 733 CA 40.0660 5.8190 24.6960 C.3 47 VAL47 0.0901 734 HA 40.8325 5.2796 25.2549 H 47 VAL47 0.0560 735 CB 39.6399 7.0875 25.4692 C.3 47 VAL47 -0.0227 736 HB 38.9325 7.6443 24.8516 H 47 VAL47 0.0315 737 CG1 38.9325 6.7595 26.7950 C.3 47 VAL47 -0.0608 738 HG11 38.6726 7.6705 27.3345 H 47 VAL47 0.0233 739 HG12 39.5686 6.1562 27.4427 H 47 VAL47 0.0233 740 HG13 38.0042 6.2111 26.6306 H 47 VAL47 0.0233 741 CG2 40.8434 8.0056 25.7336 C.3 47 VAL47 -0.0608 742 HG21 40.5353 8.9127 26.2540 H 47 VAL47 0.0233 743 HG22 41.3289 8.3117 24.8080 H 47 VAL47 0.0233 744 HG23 41.5903 7.5046 26.3497 H 47 VAL47 0.0233 745 C 38.9120 4.8830 24.4770 C.2 47 VAL47 0.2190 746 O 38.8880 3.7800 25.0190 O.2 47 VAL47 -0.2778 747 N 37.9350 5.2910 23.6460 N.am 48 THR48 -0.2434 748 H 37.9810 6.2220 23.2310 H 48 THR48 0.1313 749 CA 36.8330 4.4320 23.3390 C.3 48 THR48 0.1135 750 HA 36.7969 3.5663 24.0007 H 48 THR48 0.0583 751 CB 35.5466 5.3029 23.4492 C.3 48 THR48 0.0763 752 HB 35.5309 6.0079 22.6052 H 48 THR48 0.0611 753 OG1 35.6234 6.0315 24.6682 O.3 48 THR48 -0.3900 754 HG1 34.9633 6.7323 24.6780 H 48 THR48 0.2098 755 CG2 34.2285 4.5028 23.4575 C.3 48 THR48 -0.0370 756 HG21 33.3737 5.1390 23.6884 H 48 THR48 0.0255 757 HG22 34.2572 3.7108 24.2049 H 48 THR48 0.0255 758 HG23 34.0014 4.0577 22.4923 H 48 THR48 0.0255 759 C 37.1380 4.0260 21.9300 C.2 48 THR48 0.2212 760 O 38.2430 4.2350 21.4330 O.2 48 THR48 -0.2777 761 N 36.1550 3.4210 21.2450 N.am 49 CYS49 -0.2448 762 H 35.3020 3.1730 21.7470 H 49 CYS49 0.1312 763 CA 36.2340 3.1020 19.8460 C.3 49 CYS49 0.0967 764 HA 37.2263 3.3468 19.4653 H 49 CYS49 0.0565 765 CB 35.9232 1.6015 19.6988 C.3 49 CYS49 0.0147 766 HB1 36.6308 1.0349 20.3048 H 49 CYS49 0.0394 767 HB2 36.0885 1.2575 18.6809 H 49 CYS49 0.0394 768 SG 34.2455 1.1359 20.2075 S.3 49 CYS49 -0.1762 769 HG 34.0548 -0.1696 19.9952 H 49 CYS49 0.1017 770 C 35.2140 4.0120 19.2150 C.2 49 CYS49 0.2221 771 O 34.5720 4.7850 19.9310 O.2 49 CYS49 -0.2775 772 N 35.0200 3.9850 17.9130 N.am 50 PRO50 -0.2315 773 CA 34.0180 4.8480 17.3360 C.3 50 PRO50 0.0907 774 HA 34.2693 5.8816 17.5813 H 50 PRO50 0.0559 775 CD 35.7628 3.1817 16.9556 C.3 50 PRO50 0.0071 776 HD1 35.2959 2.1972 16.9278 H 50 PRO50 0.0431 777 HD2 36.8134 3.1308 17.2402 H 50 PRO50 0.0431 778 CB 34.1790 4.5897 15.8218 C.3 50 PRO50 -0.0276 779 HB1 34.1215 5.5021 15.2373 H 50 PRO50 0.0285 780 HB2 33.4108 3.9178 15.4357 H 50 PRO50 0.0285 781 CG 35.5444 3.9329 15.6496 C.3 50 PRO50 -0.0379 782 HG1 35.5961 3.2889 14.7716 H 50 PRO50 0.0278 783 HG2 36.3025 4.7095 15.5408 H 50 PRO50 0.0278 784 C 32.6340 4.4950 17.8080 C.2 50 PRO50 0.2189 785 O 32.1740 3.3780 17.5600 O.2 50 PRO50 -0.2778 786 N 31.9260 5.4730 18.4200 N.am 51 LEU51 -0.2456 787 H 32.3250 6.4120 18.4260 H 51 LEU51 0.1312 788 CA 30.6470 5.2860 19.0650 C.3 51 LEU51 0.0880 789 HA 30.8100 4.3781 19.6433 H 51 LEU51 0.0557 790 CB 30.3600 6.3952 20.0907 C.3 51 LEU51 -0.0266 791 HB1 30.2116 7.3417 19.5900 H 51 LEU51 0.0287 792 HB2 31.2644 6.5482 20.6780 H 51 LEU51 0.0287 793 CG 29.2161 6.0831 21.0791 C.3 51 LEU51 -0.0449 794 HG 28.3240 5.8183 20.5112 H 51 LEU51 0.0296 795 CD1 29.5784 4.9126 22.0072 C.3 51 LEU51 -0.0626 796 HD11 28.7658 4.6962 22.7004 H 51 LEU51 0.0232 797 HD12 30.4645 5.1482 22.5987 H 51 LEU51 0.0232 798 HD13 29.7880 3.9976 21.4586 H 51 LEU51 0.0232 799 CD2 28.8804 7.3077 21.9408 C.3 51 LEU51 -0.0626 800 HD21 28.1281 7.0687 22.6920 H 51 LEU51 0.0232 801 HD22 28.4860 8.1223 21.3422 H 51 LEU51 0.0232 802 HD23 29.7658 7.6760 22.4621 H 51 LEU51 0.0232 803 C 29.5800 4.8860 18.0560 C.2 51 LEU51 0.2187 804 O 28.5660 4.2910 18.4310 O.2 51 LEU51 -0.2778 805 N 29.7860 5.1700 16.7410 N.am 52 GLU52 -0.2456 806 H 30.6620 5.6260 16.4850 H 52 GLU52 0.1312 807 CA 28.8490 4.8700 15.6810 C.3 52 GLU52 0.0883 808 HA 27.9581 5.4653 15.8841 H 52 GLU52 0.0557 809 CB 29.4231 5.2352 14.2886 C.3 52 GLU52 -0.0193 810 HB1 30.3197 4.6476 14.0839 H 52 GLU52 0.0290 811 HB2 29.7468 6.2759 14.2912 H 52 GLU52 0.0290 812 CG 28.3807 5.0267 13.1648 C.3 52 GLU52 0.0356 813 HG1 27.5207 5.6544 13.3732 H 52 GLU52 0.0374 814 HG2 28.0299 3.9983 13.1589 H 52 GLU52 0.0374 815 CD 28.8524 5.3350 11.7300 C.2 52 GLU52 0.1760 816 OE1 29.9880 5.0499 11.3777 O.co2 52 GLU52 -0.6478 817 OE2 28.0802 5.8662 10.9362 O.co2 52 GLU52 -0.6478 818 C 28.4720 3.4100 15.7160 C.2 52 GLU52 0.2187 819 O 27.3190 3.0510 15.5930 O.2 52 GLU52 -0.2778 820 N 29.4720 2.5680 15.9010 N.am 53 VAL53 -0.2454 821 H 30.4230 2.9350 15.9310 H 53 VAL53 0.1312 822 CA 29.2700 1.1380 16.0630 C.3 53 VAL53 0.0901 823 HA 28.9203 0.7535 15.1042 H 53 VAL53 0.0560 824 CB 30.6331 0.5171 16.4479 C.3 53 VAL53 -0.0227 825 HB 30.9496 0.9670 17.3908 H 53 VAL53 0.0315 826 CG1 30.5576 -1.0023 16.6661 C.3 53 VAL53 -0.0608 827 HG11 31.5216 -1.3894 16.9918 H 53 VAL53 0.0233 828 HG12 30.2870 -1.5204 15.7473 H 53 VAL53 0.0233 829 HG13 29.8328 -1.2742 17.4330 H 53 VAL53 0.0233 830 CG2 31.7260 0.8362 15.4159 C.3 53 VAL53 -0.0608 831 HG21 32.6921 0.4759 15.7606 H 53 VAL53 0.0233 832 HG22 31.8445 1.9053 15.2412 H 53 VAL53 0.0233 833 HG23 31.5117 0.3579 14.4613 H 53 VAL53 0.0233 834 C 28.2240 0.8300 17.1350 C.2 53 VAL53 0.2189 835 O 27.3720 -0.0420 16.9450 O.2 53 VAL53 -0.2778 836 N 28.3100 1.5470 18.2530 N.am 54 ALA54 -0.2459 837 H 28.9980 2.2990 18.3050 H 54 ALA54 0.1312 838 CA 27.4570 1.2950 19.4020 C.3 54 ALA54 0.0850 839 HA 27.4765 0.2191 19.5864 H 54 ALA54 0.0554 840 CB 27.9925 2.0478 20.6233 C.3 54 ALA54 -0.0411 841 HB1 27.4367 1.7853 21.5234 H 54 ALA54 0.0249 842 HB2 27.9197 3.1269 20.4923 H 54 ALA54 0.0249 843 HB3 29.0404 1.8025 20.7975 H 54 ALA54 0.0249 844 C 26.0290 1.7090 19.0940 C.2 54 ALA54 0.2184 845 O 25.0750 1.0020 19.4410 O.2 54 ALA54 -0.2778 846 N 25.8860 2.8380 18.4150 N.am 55 LEU55 -0.2457 847 H 26.7140 3.3590 18.1270 H 55 LEU55 0.1312 848 CA 24.5670 3.3460 18.0740 C.3 55 LEU55 0.0880 849 HA 23.9660 3.3379 18.9823 H 55 LEU55 0.0557 850 CB 24.6756 4.7609 17.5030 C.3 55 LEU55 -0.0266 851 HB1 23.6879 5.1154 17.2065 H 55 LEU55 0.0287 852 HB2 25.2780 4.7403 16.5923 H 55 LEU55 0.0287 853 CG 25.2971 5.7565 18.4916 C.3 55 LEU55 -0.0449 854 HG 26.3171 5.4398 18.7131 H 55 LEU55 0.0296 855 CD1 25.3889 7.1307 17.8393 C.3 55 LEU55 -0.0626 856 HD11 25.8236 7.8339 18.5393 H 55 LEU55 0.0232 857 HD12 24.4120 7.5093 17.5377 H 55 LEU55 0.0232 858 HD13 26.0300 7.0946 16.9602 H 55 LEU55 0.0232 859 CD2 24.5353 5.8400 19.8228 C.3 55 LEU55 -0.0626 860 HD21 24.9993 6.5727 20.4819 H 55 LEU55 0.0232 861 HD22 24.5492 4.8910 20.3569 H 55 LEU55 0.0232 862 HD23 23.4980 6.1334 19.6675 H 55 LEU55 0.0232 863 C 23.8900 2.4080 17.0940 C.2 55 LEU55 0.2187 864 O 22.7150 2.0700 17.2520 O.2 55 LEU55 -0.2778 865 N 24.6580 1.9520 16.1110 N.am 56 LEU56 -0.2456 866 H 25.6270 2.2640 16.0530 H 56 LEU56 0.1312 867 CA 24.1520 1.0170 15.1130 C.3 56 LEU56 0.0880 868 HA 23.2211 1.4325 14.7266 H 56 LEU56 0.0557 869 CB 25.1802 0.8698 13.9757 C.3 56 LEU56 -0.0266 870 HB1 24.8675 0.0713 13.3018 H 56 LEU56 0.0287 871 HB2 26.1316 0.5495 14.4045 H 56 LEU56 0.0287 872 CG 25.4075 2.1383 13.1308 C.3 56 LEU56 -0.0449 873 HG 25.6777 2.9638 13.7886 H 56 LEU56 0.0296 874 CD1 26.5773 1.9185 12.1607 C.3 56 LEU56 -0.0626 875 HD11 26.7707 2.8124 11.5659 H 56 LEU56 0.0232 876 HD12 26.3698 1.1004 11.4708 H 56 LEU56 0.0232 877 HD13 27.4948 1.6774 12.6989 H 56 LEU56 0.0232 878 CD2 24.1484 2.5558 12.3564 C.3 56 LEU56 -0.0626 879 HD21 24.3543 3.4175 11.7206 H 56 LEU56 0.0232 880 HD22 23.3363 2.8385 13.0254 H 56 LEU56 0.0232 881 HD23 23.7926 1.7495 11.7143 H 56 LEU56 0.0232 882 C 23.8200 -0.3700 15.6740 C.2 56 LEU56 0.2187 883 O 23.1260 -1.1340 15.0050 O.2 56 LEU56 -0.2778 884 N 24.3150 -0.7070 16.8680 N.am 57 TRP57 -0.2453 885 H 25.0320 -0.1260 17.3020 H 57 TRP57 0.1312 886 CA 23.8350 -1.9050 17.5570 C.3 57 TRP57 0.0918 887 HA 23.6615 -2.6904 16.8190 H 57 TRP57 0.0560 888 CB 24.9224 -2.3492 18.5517 C.3 57 TRP57 -0.0021 889 HB1 25.1672 -1.5507 19.2523 H 57 TRP57 0.0334 890 HB2 25.8434 -2.5774 18.0141 H 57 TRP57 0.0334 891 CG 24.4825 -3.5828 19.3122 C.ar 57 TRP57 -0.0260 892 CD2 23.8829 -3.6374 20.6236 C.ar 57 TRP57 -0.0028 893 CD1 24.5730 -4.9018 18.8604 C.ar 57 TRP57 -0.0136 894 HD1 24.9881 -5.2067 17.9107 H 57 TRP57 0.0748 895 NE1 24.0549 -5.7315 19.7991 N.ar 57 TRP57 -0.2641 896 HE1 24.0028 -6.7069 19.7230 H 57 TRP57 0.1331 897 CE2 23.6170 -4.9995 20.8953 C.ar 57 TRP57 0.0269 898 CE3 23.5600 -2.6782 21.5466 C.ar 57 TRP57 -0.0528 899 HE3 23.7739 -1.6411 21.3381 H 57 TRP57 0.0624 900 CZ2 23.0310 -5.3589 22.0785 C.ar 57 TRP57 -0.0430 901 HZ2 22.8312 -6.4006 22.2802 H 57 TRP57 0.0633 902 CZ3 22.9605 -3.0409 22.7530 C.ar 57 TRP57 -0.0611 903 HZ3 22.7067 -2.2858 23.4817 H 57 TRP57 0.0618 904 CH2 22.6944 -4.3843 23.0190 C.ar 57 TRP57 -0.0602 905 HH2 22.2331 -4.6727 23.9522 H 57 TRP57 0.0618 906 C 22.5310 -1.5860 18.2440 C.2 57 TRP57 0.2190 907 O 21.5290 -2.2520 17.9810 O.2 57 TRP57 -0.2778 908 N 22.5230 -0.5700 19.1080 N.am 58 LYS58 -0.2456 909 H 23.3910 -0.0790 19.3210 H 58 LYS58 0.1312 910 CA 21.2720 -0.1540 19.7550 C.3 58 LYS58 0.0878 911 HA 21.0397 -0.9031 20.5132 H 58 LYS58 0.0557 912 CB 21.4365 1.2427 20.3678 C.3 58 LYS58 -0.0289 913 HB1 20.4525 1.6265 20.6362 H 58 LYS58 0.0285 914 HB2 21.8348 1.9107 19.6065 H 58 LYS58 0.0285 915 CG 22.3590 1.2859 21.5961 C.3 58 LYS58 -0.0496 916 HG1 23.3536 0.9484 21.3033 H 58 LYS58 0.0266 917 HG2 22.0128 0.5809 22.3530 H 58 LYS58 0.0266 918 CD 22.4634 2.6996 22.1944 C.3 58 LYS58 -0.0278 919 HD1 22.6796 3.4035 21.3907 H 58 LYS58 0.0282 920 HD2 23.3210 2.7441 22.8669 H 58 LYS58 0.0282 921 CE 21.1983 3.1182 22.9647 C.3 58 LYS58 0.1103 922 HE1 21.1620 2.6041 23.9276 H 58 LYS58 0.0559 923 HE2 20.3056 2.8136 22.4235 H 58 LYS58 0.0559 924 NZ 21.0922 4.5605 23.2049 N.4 58 LYS58 -0.0749 925 HZ1 20.2318 4.7707 23.7514 H 58 LYS58 0.2742 926 HZ2 21.0248 5.0692 22.2995 H 58 LYS58 0.2742 927 HZ3 21.9234 4.8984 23.7307 H 58 LYS58 0.2742 928 C 20.1520 -0.1490 18.7270 C.2 58 LYS58 0.2187 929 O 19.1170 -0.7520 18.9340 O.2 58 LYS58 -0.2778 930 N 20.3680 0.5410 17.6090 N.am 59 VAL59 -0.2454 931 H 21.2620 1.0140 17.4810 H 59 VAL59 0.1312 932 CA 19.3540 0.6360 16.5610 C.3 59 VAL59 0.0901 933 HA 18.4158 0.8388 17.0808 H 59 VAL59 0.0560 934 CB 19.6445 1.8672 15.6730 C.3 59 VAL59 -0.0227 935 HB 20.5714 1.6959 15.1230 H 59 VAL59 0.0315 936 CG1 18.5152 2.1363 14.6779 C.3 59 VAL59 -0.0608 937 HG11 18.6932 3.0603 14.1319 H 59 VAL59 0.0233 938 HG12 17.5739 2.2640 15.2067 H 59 VAL59 0.0233 939 HG13 18.4055 1.3336 13.9555 H 59 VAL59 0.0233 940 CG2 19.8029 3.1448 16.5147 C.3 59 VAL59 -0.0608 941 HG21 20.0174 4.0051 15.8798 H 59 VAL59 0.0233 942 HG22 20.6086 3.0726 17.2365 H 59 VAL59 0.0233 943 HG23 18.8876 3.3615 17.0660 H 59 VAL59 0.0233 944 C 19.1230 -0.6740 15.8150 C.2 59 VAL59 0.2187 945 O 17.9930 -0.9700 15.4550 O.2 59 VAL59 -0.2778 946 N 20.1870 -1.4840 15.5950 N.am 60 GLY60 -0.2485 947 H 21.0980 -1.2090 15.9630 H 60 GLY60 0.1309 948 CA 20.0800 -2.7170 14.8620 C.3 60 GLY60 0.0765 949 HA1 21.0358 -3.2317 14.9505 H 60 GLY60 0.0521 950 HA2 19.8668 -2.4902 13.8185 H 60 GLY60 0.0521 951 C 18.9970 -3.5220 15.5020 C.2 60 GLY60 0.2155 952 O 19.1260 -4.0000 16.6310 O.2 60 GLY60 -0.2781 953 N 17.8870 -3.6720 14.7400 N.am 61 ALA61 -0.2462 954 H 17.9180 -3.3850 13.7620 H 61 ALA61 0.1311 955 CA 16.6720 -4.2200 15.2640 C.3 61 ALA61 0.0850 956 HA 16.9542 -4.9617 16.0142 H 61 ALA61 0.0554 957 CB 15.8501 -3.1284 15.9501 C.3 61 ALA61 -0.0411 958 HB1 14.8574 -3.4714 16.2410 H 61 ALA61 0.0249 959 HB2 15.7509 -2.2706 15.2997 H 61 ALA61 0.0249 960 HB3 16.3610 -2.7796 16.8480 H 61 ALA61 0.0249 961 C 15.9430 -4.9900 14.2140 C.2 61 ALA61 0.2182 962 O 16.2900 -4.9520 13.0350 O.2 61 ALA61 -0.2778 963 N 14.8920 -5.7240 14.6450 N.am 62 GLY62 -0.2485 964 H 14.6740 -5.7580 15.6410 H 62 GLY62 0.1309 965 CA 14.0800 -6.4560 13.7150 C.3 62 GLY62 0.0765 966 HA1 14.4164 -7.4925 13.7200 H 62 GLY62 0.0521 967 HA2 14.1733 -6.0403 12.7092 H 62 GLY62 0.0521 968 C 12.6510 -6.3740 14.1620 C.2 62 GLY62 0.2153 969 O 12.3600 -6.2940 15.3560 O.2 62 GLY62 -0.2781 970 N 11.7160 -6.4180 13.1870 N.am 63 GLY63 -0.2487 971 H 12.0190 -6.4930 12.2160 H 63 GLY63 0.1309 972 CA 10.3050 -6.3630 13.4740 C.3 63 GLY63 0.0765 973 HA1 10.1030 -6.6139 14.5165 H 63 GLY63 0.0521 974 HA2 9.8062 -7.0827 12.8254 H 63 GLY63 0.0521 975 C 9.8310 -4.9850 13.1600 C.2 63 GLY63 0.2153 976 O 8.6350 -4.6830 13.2010 O.2 63 GLY63 -0.2781 977 N 10.8110 -4.1350 12.8310 N.am 64 GLY64 -0.2487 978 H 11.7560 -4.5200 12.8370 H 64 GLY64 0.1309 979 CA 10.7000 -2.7580 12.4730 C.3 64 GLY64 0.0765 980 HA1 10.3808 -2.1836 13.3426 H 64 GLY64 0.0521 981 HA2 10.0131 -2.6562 11.6322 H 64 GLY64 0.0521 982 C 12.0970 -2.4600 12.0800 C.2 64 GLY64 0.2155 983 O 12.8030 -3.4030 11.7120 O.2 64 GLY64 -0.2781 984 N 12.5100 -1.1660 12.1840 N.am 65 HIS65 -0.2455 985 H 11.7980 -0.4750 12.4200 H 65 HIS65 0.1312 986 CA 13.8650 -0.6690 11.9930 C.3 65 HIS65 0.0934 987 HA 13.8512 0.3229 12.4307 H 65 HIS65 0.0561 988 ND1 17.1602 -0.5388 12.8109 N.ar 65 HIS65 -0.2469 989 CG 16.3071 -1.5078 12.4293 C.ar 65 HIS65 0.0551 990 CB 14.8409 -1.5749 12.8136 C.3 65 HIS65 0.0146 991 HB1 14.6044 -2.6309 12.7592 H 65 HIS65 0.0348 992 HB2 14.7175 -1.3232 13.8538 H 65 HIS65 0.0348 993 NE2 18.2592 -1.9159 11.4412 N.ar 65 HIS65 -0.2539 994 HE2 18.9720 -2.2794 10.8773 H 65 HIS65 0.1339 995 CD2 16.9911 -2.3695 11.5535 C.ar 65 HIS65 0.0047 996 HD2 16.5639 -3.2238 11.0499 H 65 HIS65 0.0764 997 CE1 18.3307 -0.8154 12.2088 C.ar 65 HIS65 0.0737 998 HE1 19.2166 -0.2038 12.3106 H 65 HIS65 0.0963 999 C 14.3840 -0.4370 10.6040 C.2 65 HIS65 0.2217 1000 O 15.4710 0.1400 10.4660 O.2 65 HIS65 -0.2776 1001 N 13.7430 -0.6470 9.5300 N.am 66 PRO66 -0.2316 1002 CA 14.7070 -0.8270 8.4610 C.3 66 PRO66 0.0907 1003 HA 15.6912 -1.2346 8.7228 H 66 PRO66 0.0559 1004 CD 12.3402 -0.8360 9.1717 C.3 66 PRO66 0.0071 1005 HD1 11.8224 0.1225 9.2244 H 66 PRO66 0.0431 1006 HD2 11.8708 -1.5705 9.8104 H 66 PRO66 0.0431 1007 CB 13.9175 -1.8571 7.6381 C.3 66 PRO66 -0.0276 1008 HB1 14.0271 -2.8386 8.1012 H 66 PRO66 0.0285 1009 HB2 14.2500 -1.9559 6.6039 H 66 PRO66 0.0285 1010 CG 12.4533 -1.4074 7.7548 C.3 66 PRO66 -0.0379 1011 HG1 12.2453 -0.6255 7.0233 H 66 PRO66 0.0278 1012 HG2 11.7526 -2.2231 7.5747 H 66 PRO66 0.0278 1013 C 14.7940 0.4620 7.5810 C.2 66 PRO66 0.2187 1014 O 14.9360 0.4180 6.3490 O.2 66 PRO66 -0.2778 1015 N 14.6780 1.6090 8.2250 N.am 67 GLY67 -0.2485 1016 H 14.3750 1.6070 9.1990 H 67 GLY67 0.1309 1017 CA 14.9700 2.8610 7.5820 C.3 67 GLY67 0.0765 1018 HA1 14.2106 3.5760 7.8867 H 67 GLY67 0.0521 1019 HA2 14.9651 2.7768 6.4940 H 67 GLY67 0.0521 1020 C 16.3230 3.2710 8.0770 C.2 67 GLY67 0.2155 1021 O 16.6770 4.4320 7.9760 O.2 67 GLY67 -0.2781 1022 N 17.0720 2.3130 8.6270 N.am 68 VAL68 -0.2456 1023 H 16.6970 1.3650 8.6740 H 68 VAL68 0.1312 1024 CA 18.4010 2.5650 9.1630 C.3 68 VAL68 0.0901 1025 HA 18.7344 3.5481 8.8227 H 68 VAL68 0.0560 1026 CB 18.3903 2.5365 10.7007 C.3 68 VAL68 -0.0227 1027 HB 18.0725 1.5473 11.0228 H 68 VAL68 0.0315 1028 CG1 19.7996 2.8043 11.2583 C.3 68 VAL68 -0.0608 1029 HG11 19.8082 2.8578 12.3431 H 68 VAL68 0.0233 1030 HG12 20.1925 3.7457 10.8770 H 68 VAL68 0.0233 1031 HG13 20.4997 2.0174 10.9780 H 68 VAL68 0.0233 1032 CG2 17.3778 3.5392 11.2711 C.3 68 VAL68 -0.0608 1033 HG21 17.4034 3.5480 12.3588 H 68 VAL68 0.0233 1034 HG22 16.3569 3.2908 10.9809 H 68 VAL68 0.0233 1035 HG23 17.5907 4.5472 10.9197 H 68 VAL68 0.0233 1036 C 19.3570 1.5380 8.5890 C.2 68 VAL68 0.2189 1037 O 19.0950 0.3450 8.6590 O.2 68 VAL68 -0.2778 1038 N 20.4600 1.9970 8.0180 N.am 69 ILE69 -0.2454 1039 H 20.6140 3.0040 7.9640 H 69 ILE69 0.1312 1040 CA 21.4620 1.0850 7.4630 C.3 69 ILE69 0.0903 1041 HA 20.9192 0.4484 6.7642 H 69 ILE69 0.0560 1042 CB 22.5651 1.8517 6.6904 C.3 69 ILE69 -0.0201 1043 HB 22.7497 2.7761 7.2399 H 69 ILE69 0.0318 1044 CG1 22.0987 2.2467 5.2689 C.3 69 ILE69 -0.0514 1045 HG11 22.8395 2.8892 4.8046 H 69 ILE69 0.0266 1046 HG12 21.1861 2.8343 5.3341 H 69 ILE69 0.0266 1047 CG2 23.9171 1.1204 6.6253 C.3 69 ILE69 -0.0605 1048 HG21 24.6337 1.6837 6.0266 H 69 ILE69 0.0233 1049 HG22 23.8201 0.1300 6.1836 H 69 ILE69 0.0233 1050 HG23 24.3547 0.9993 7.6168 H 69 ILE69 0.0233 1051 CD1 21.9132 1.0898 4.2817 C.3 69 ILE69 -0.0650 1052 HD11 21.4788 1.4467 3.3499 H 69 ILE69 0.0230 1053 HD12 21.2609 0.3099 4.6656 H 69 ILE69 0.0230 1054 HD13 22.8749 0.6471 4.0262 H 69 ILE69 0.0230 1055 C 21.9600 0.1610 8.5630 C.2 69 ILE69 0.2189 1056 O 22.3350 0.6140 9.6460 O.2 69 ILE69 -0.2778 1057 N 21.9520 -1.1370 8.2770 N.am 70 ARG70 -0.2456 1058 H 21.6480 -1.4330 7.3490 H 70 ARG70 0.1312 1059 CA 22.3630 -2.1600 9.2430 C.3 70 ARG70 0.0879 1060 HA 22.0387 -1.7910 10.2188 H 70 ARG70 0.0557 1061 CB 21.6606 -3.4946 8.9432 C.3 70 ARG70 -0.0258 1062 HB1 22.2727 -4.1047 8.2758 H 70 ARG70 0.0286 1063 HB2 20.7398 -3.3069 8.3888 H 70 ARG70 0.0286 1064 CG 21.3008 -4.2573 10.2324 C.3 70 ARG70 -0.0154 1065 HG1 20.2864 -3.9769 10.5200 H 70 ARG70 0.0299 1066 HG2 21.9306 -3.9357 11.0633 H 70 ARG70 0.0299 1067 CD 21.3941 -5.7826 10.1065 C.3 70 ARG70 0.1045 1068 HD1 21.1878 -6.1196 9.0872 H 70 ARG70 0.0711 1069 HD2 20.6782 -6.2509 10.7868 H 70 ARG70 0.0711 1070 NE 22.7364 -6.2200 10.4992 N.pl3 70 ARG70 -0.4450 1071 HE 23.4551 -5.5381 10.6524 H 70 ARG70 0.3153 1072 CZ 23.0912 -7.4863 10.6905 C.cat 70 ARG70 0.5062 1073 NH1 22.2608 -8.4640 10.4448 N.pl3 70 ARG70 -0.4573 1074 HH11 22.5344 -9.4089 10.6015 H 70 ARG70 0.3114 1075 HH12 21.3517 -8.2515 10.0978 H 70 ARG70 0.3114 1076 NH2 24.2877 -7.7580 11.1341 N.pl3 70 ARG70 -0.4573 1077 HH21 24.5949 -8.6942 11.2807 H 70 ARG70 0.3114 1078 HH22 24.9137 -7.0006 11.3321 H 70 ARG70 0.3114 1079 C 23.8950 -2.3690 9.2830 C.2 70 ARG70 0.2187 1080 O 24.5710 -2.3560 8.2590 O.2 70 ARG70 -0.2778 1081 N 24.4240 -2.5720 10.4830 N.am 71 LEU71 -0.2456 1082 H 23.8330 -2.4550 11.3060 H 71 LEU71 0.1312 1083 CA 25.8310 -2.9600 10.6700 C.3 71 LEU71 0.0880 1084 HA 26.4175 -2.4726 9.8912 H 71 LEU71 0.0557 1085 CB 26.2727 -2.4416 12.0523 C.3 71 LEU71 -0.0266 1086 HB1 25.6028 -2.8482 12.8114 H 71 LEU71 0.0287 1087 HB2 26.1260 -1.3617 12.0773 H 71 LEU71 0.0287 1088 CG 27.7292 -2.7454 12.4576 C.3 71 LEU71 -0.0449 1089 HG 27.8901 -3.8237 12.4199 H 71 LEU71 0.0296 1090 CD1 28.7472 -2.0821 11.5214 C.3 71 LEU71 -0.0626 1091 HD11 29.7652 -2.2349 11.8798 H 71 LEU71 0.0232 1092 HD12 28.5831 -1.0065 11.4551 H 71 LEU71 0.0232 1093 HD13 28.6937 -2.5019 10.5189 H 71 LEU71 0.0232 1094 CD2 27.9821 -2.2993 13.9039 C.3 71 LEU71 -0.0626 1095 HD21 28.9893 -2.5701 14.2204 H 71 LEU71 0.0232 1096 HD22 27.2832 -2.7721 14.5943 H 71 LEU71 0.0232 1097 HD23 27.8766 -1.2191 14.0114 H 71 LEU71 0.0232 1098 C 26.0050 -4.4620 10.5450 C.2 71 LEU71 0.2187 1099 O 25.3660 -5.2220 11.2740 O.2 71 LEU71 -0.2778 1100 N 26.8780 -4.8900 9.6410 N.am 72 LEU72 -0.2456 1101 H 27.4050 -4.2070 9.0960 H 72 LEU72 0.1312 1102 CA 27.1020 -6.3120 9.4070 C.3 72 LEU72 0.0880 1103 HA 26.2445 -6.8864 9.7431 H 72 LEU72 0.0557 1104 CB 27.2939 -6.5053 7.8888 C.3 72 LEU72 -0.0266 1105 HB1 27.3588 -7.5713 7.6651 H 72 LEU72 0.0287 1106 HB2 28.2548 -6.0826 7.5880 H 72 LEU72 0.0287 1107 CG 26.2020 -5.8565 7.0130 C.3 72 LEU72 -0.0449 1108 HG 26.2102 -4.7775 7.1761 H 72 LEU72 0.0296 1109 CD1 26.5156 -6.0740 5.5287 C.3 72 LEU72 -0.0626 1110 HD11 25.7379 -5.6491 4.8959 H 72 LEU72 0.0232 1111 HD12 26.5952 -7.1346 5.2895 H 72 LEU72 0.0232 1112 HD13 27.4583 -5.5968 5.2600 H 72 LEU72 0.0232 1113 CD2 24.7971 -6.3695 7.3553 C.3 72 LEU72 -0.0626 1114 HD21 24.0499 -5.9221 6.6992 H 72 LEU72 0.0232 1115 HD22 24.5224 -6.1127 8.3769 H 72 LEU72 0.0232 1116 HD23 24.7352 -7.4522 7.2461 H 72 LEU72 0.0232 1117 C 28.3380 -6.8170 10.1220 C.2 72 LEU72 0.2187 1118 O 28.3070 -7.8980 10.6910 O.2 72 LEU72 -0.2778 1119 N 29.4260 -6.0560 10.0990 N.am 73 ASP73 -0.2451 1120 H 29.4340 -5.1990 9.5460 H 73 ASP73 0.1312 1121 CA 30.6180 -6.4400 10.8650 C.3 73 ASP73 0.0974 1122 HA 30.3202 -6.9043 11.8066 H 73 ASP73 0.0563 1123 CB 31.5603 -7.3630 9.9991 C.3 73 ASP73 0.0576 1124 HB1 32.3456 -7.7461 10.6518 H 73 ASP73 0.0394 1125 HB2 32.0780 -6.7495 9.2620 H 73 ASP73 0.0394 1126 CG 31.0931 -8.5876 9.1431 C.2 73 ASP73 0.1780 1127 OD1 31.9045 -9.4779 8.9112 O.co2 73 ASP73 -0.6478 1128 OD2 29.9706 -8.6974 8.6613 O.co2 73 ASP73 -0.6478 1129 C 31.4800 -5.2100 11.1320 C.2 73 ASP73 0.2192 1130 O 31.0820 -4.1140 10.7490 O.2 73 ASP73 -0.2778 1131 N 32.6170 -5.3770 11.8190 N.am 74 TRP74 -0.2453 1132 H 32.8110 -6.2900 12.2310 H 74 TRP74 0.1312 1133 CA 33.6060 -4.2870 12.0050 C.3 74 TRP74 0.0918 1134 HA 33.7891 -3.9104 10.9989 H 74 TRP74 0.0560 1135 CB 33.0404 -3.1353 12.8718 C.3 74 TRP74 -0.0021 1136 HB1 32.0308 -2.8609 12.5722 H 74 TRP74 0.0334 1137 HB2 33.6464 -2.2415 12.7191 H 74 TRP74 0.0334 1138 CG 33.0303 -3.4824 14.3499 C.ar 74 TRP74 -0.0260 1139 CD2 33.6735 -2.7567 15.4207 C.ar 74 TRP74 -0.0028 1140 CD1 32.4098 -4.5884 14.9416 C.ar 74 TRP74 -0.0136 1141 HD1 31.8512 -5.3571 14.4289 H 74 TRP74 0.0748 1142 NE1 32.6558 -4.5784 16.2724 N.ar 74 TRP74 -0.2641 1143 HE1 32.3834 -5.2740 16.9164 H 74 TRP74 0.1331 1144 CE2 33.4197 -3.4739 16.6121 C.ar 74 TRP74 0.0269 1145 CE3 34.4167 -1.6066 15.4647 C.ar 74 TRP74 -0.0528 1146 HE3 34.6041 -1.0514 14.5582 H 74 TRP74 0.0624 1147 CZ2 33.9218 -3.0304 17.8040 C.ar 74 TRP74 -0.0430 1148 HZ2 33.7291 -3.5974 18.7037 H 74 TRP74 0.0633 1149 CZ3 34.9034 -1.1349 16.6854 C.ar 74 TRP74 -0.0611 1150 HZ3 35.4560 -0.2105 16.7340 H 74 TRP74 0.0618 1151 CH2 34.6686 -1.8549 17.8551 C.ar 74 TRP74 -0.0602 1152 HH2 35.0613 -1.5072 18.7990 H 74 TRP74 0.0618 1153 C 34.9800 -4.7320 12.5590 C.2 74 TRP74 0.2190 1154 O 35.1390 -5.8810 12.9640 O.2 74 TRP74 -0.2778 1155 N 36.1030 -3.9740 12.4860 N.am 75 PHE75 -0.2453 1156 H 36.2020 -3.0030 12.1880 H 75 PHE75 0.1312 1157 CA 37.1280 -4.8980 12.9400 C.3 75 PHE75 0.0917 1158 HA 37.0876 -5.9504 12.6227 H 75 PHE75 0.0560 1159 CB 38.4355 -4.7656 12.1157 C.3 75 PHE75 -0.0036 1160 HB1 38.1712 -4.8587 11.0609 H 75 PHE75 0.0333 1161 HB2 39.0691 -5.6348 12.3136 H 75 PHE75 0.0333 1162 CG 39.3637 -3.5930 12.2655 C.ar 75 PHE75 -0.0454 1163 CD1 40.1789 -3.4913 13.3878 C.ar 75 PHE75 -0.0585 1164 HD1 39.9961 -4.1092 14.2554 H 75 PHE75 0.0620 1165 CD2 39.7011 -2.8612 11.1290 C.ar 75 PHE75 -0.0585 1166 HD2 39.1413 -2.9938 10.2167 H 75 PHE75 0.0620 1167 CE1 41.3055 -2.6831 13.3664 C.ar 75 PHE75 -0.0615 1168 HE1 41.9541 -2.6463 14.2244 H 75 PHE75 0.0618 1169 CE2 40.8373 -2.0658 11.1022 C.ar 75 PHE75 -0.0615 1170 HE2 41.1028 -1.5329 10.2010 H 75 PHE75 0.0618 1171 CZ 41.6400 -1.9704 12.2270 C.ar 75 PHE75 -0.0617 1172 HZ 42.5235 -1.3497 12.2221 H 75 PHE75 0.0618 1173 C 37.2630 -4.8440 14.4260 C.2 75 PHE75 0.2190 1174 O 37.5230 -3.7990 15.0170 O.2 75 PHE75 -0.2778 1175 N 37.0160 -6.0070 15.0750 N.am 76 GLU76 -0.2456 1176 H 36.8860 -6.8810 14.5660 H 76 GLU76 0.1312 1177 CA 36.9450 -5.9590 16.5040 C.3 76 GLU76 0.0883 1178 HA 37.0029 -4.9324 16.8726 H 76 GLU76 0.0557 1179 CB 35.5703 -6.4886 16.9441 C.3 76 GLU76 -0.0193 1180 HB1 35.4444 -7.5356 16.6653 H 76 GLU76 0.0290 1181 HB2 34.8083 -5.9446 16.3893 H 76 GLU76 0.0290 1182 CG 35.3248 -6.3118 18.4565 C.3 76 GLU76 0.0356 1183 HG1 35.6394 -5.3171 18.7707 H 76 GLU76 0.0374 1184 HG2 35.9137 -7.0266 19.0285 H 76 GLU76 0.0374 1185 CD 33.8535 -6.4806 18.8642 C.2 76 GLU76 0.1760 1186 OE1 33.1137 -7.1813 18.1777 O.co2 76 GLU76 -0.6478 1187 OE2 33.4638 -5.8991 19.8748 O.co2 76 GLU76 -0.6478 1188 C 38.0360 -6.7480 17.1520 C.2 76 GLU76 0.2188 1189 O 38.0920 -7.9770 17.0850 O.2 76 GLU76 -0.2778 1190 N 38.9220 -5.9850 17.8200 N.am 77 THR77 -0.2434 1191 H 38.7660 -4.9830 17.7100 H 77 THR77 0.1313 1192 CA 40.0430 -6.3070 18.6560 C.3 77 THR77 0.1135 1193 HA 39.7775 -7.1879 19.2407 H 77 THR77 0.0583 1194 CB 41.3466 -6.4936 17.8515 C.3 77 THR77 0.0763 1195 HB 42.1410 -6.7107 18.5739 H 77 THR77 0.0611 1196 OG1 41.6702 -5.3009 17.1542 O.3 77 THR77 -0.3900 1197 HG1 42.4610 -5.4166 16.6383 H 77 THR77 0.2098 1198 CG2 41.2399 -7.6771 16.8750 C.3 77 THR77 -0.0370 1199 HG21 42.2059 -7.9300 16.4379 H 77 THR77 0.0255 1200 HG22 40.5553 -7.4541 16.0562 H 77 THR77 0.0255 1201 HG23 40.8700 -8.5682 17.3825 H 77 THR77 0.0255 1202 C 40.0310 -5.0910 19.5400 C.2 77 THR77 0.2212 1203 O 39.0240 -4.3830 19.5660 O.2 77 THR77 -0.2777 1204 N 41.1200 -4.7750 20.2760 N.am 78 GLN78 -0.2456 1205 H 41.9290 -5.3950 20.3260 H 78 GLN78 0.1312 1206 CA 41.0850 -3.5160 20.9890 C.3 78 GLN78 0.0882 1207 HA 40.0847 -3.3349 21.3895 H 78 GLN78 0.0557 1208 CB 42.1047 -3.5661 22.1392 C.3 78 GLN78 -0.0210 1209 HB1 43.1007 -3.7700 21.7417 H 78 GLN78 0.0289 1210 HB2 41.8582 -4.4129 22.7812 H 78 GLN78 0.0289 1211 CG 42.1334 -2.2809 22.9853 C.3 78 GLN78 0.0225 1212 HG1 41.1521 -2.0850 23.4163 H 78 GLN78 0.0356 1213 HG2 42.3976 -1.4136 22.3795 H 78 GLN78 0.0356 1214 CD 43.1413 -2.4192 24.1336 C.2 78 GLN78 0.1981 1215 OE1 42.9949 -3.2545 25.0159 O.2 78 GLN78 -0.2798 1216 NE2 44.1667 -1.5566 24.0687 N.am 78 GLN78 -0.2724 1217 HE21 44.8722 -1.5699 24.7754 H 78 GLN78 0.1266 1218 HE22 44.2472 -0.8921 23.3248 H 78 GLN78 0.1266 1219 C 41.4400 -2.4460 19.9730 C.2 78 GLN78 0.2187 1220 O 42.5930 -2.0220 19.8960 O.2 78 GLN78 -0.2778 1221 N 40.4420 -2.0160 19.1490 N.am 79 GLU79 -0.2456 1222 H 39.5080 -2.3930 19.3100 H 79 GLU79 0.1312 1223 CA 40.5990 -1.0690 18.0650 C.3 79 GLU79 0.0883 1224 HA 41.2472 -0.2482 18.3742 H 79 GLU79 0.0557 1225 CB 41.1672 -1.9478 16.9022 C.3 79 GLU79 -0.0193 1226 HB1 40.7807 -1.6649 15.9255 H 79 GLU79 0.0290 1227 HB2 40.7842 -2.9623 17.0201 H 79 GLU79 0.0290 1228 CG 42.7024 -2.0288 16.7795 C.3 79 GLU79 0.0356 1229 HG1 42.9844 -2.8709 16.1518 H 79 GLU79 0.0374 1230 HG2 43.2054 -2.1854 17.7267 H 79 GLU79 0.0374 1231 CD 43.2474 -0.7680 16.1091 C.2 79 GLU79 0.1760 1232 OE1 44.1514 -0.1248 16.6175 O.co2 79 GLU79 -0.6478 1233 OE2 42.7613 -0.3794 15.0576 O.co2 79 GLU79 -0.6478 1234 C 39.2280 -0.5730 17.6950 C.2 79 GLU79 0.2185 1235 O 38.2700 -0.6690 18.4660 O.2 79 GLU79 -0.2778 1236 N 39.1540 0.0000 16.4740 N.am 80 GLY80 -0.2485 1237 H 40.0380 0.0850 15.9720 H 80 GLY80 0.1309 1238 CA 37.9990 0.5060 15.7870 C.3 80 GLY80 0.0765 1239 HA1 37.5173 1.2610 16.4006 H 80 GLY80 0.0521 1240 HA2 37.3400 -0.3342 15.5727 H 80 GLY80 0.0521 1241 C 38.5610 1.0700 14.5240 C.2 80 GLY80 0.2155 1242 O 39.7130 1.5160 14.5350 O.2 80 GLY80 -0.2781 1243 N 37.8040 1.0540 13.3970 N.am 81 PHE81 -0.2456 1244 H 36.8550 0.6800 13.3970 H 81 PHE81 0.1312 1245 CA 38.4030 1.5900 12.2030 C.3 81 PHE81 0.0917 1246 HA 38.5103 2.6663 12.3562 H 81 PHE81 0.0560 1247 CB 39.7716 0.9183 11.8472 C.3 81 PHE81 -0.0036 1248 HB1 39.7155 0.3147 10.9456 H 81 PHE81 0.0333 1249 HB2 40.0732 0.2080 12.6136 H 81 PHE81 0.0333 1250 CG 40.9003 1.8884 11.6106 C.ar 81 PHE81 -0.0454 1251 CD1 41.0019 2.5622 10.3980 C.ar 81 PHE81 -0.0585 1252 HD1 40.2456 2.4216 9.6389 H 81 PHE81 0.0620 1253 CD2 41.8959 2.0724 12.5670 C.ar 81 PHE81 -0.0585 1254 HD2 41.8700 1.5179 13.4929 H 81 PHE81 0.0620 1255 CE1 42.0424 3.4539 10.1719 C.ar 81 PHE81 -0.0615 1256 HE1 42.0901 3.9958 9.2391 H 81 PHE81 0.0618 1257 CE2 42.9312 2.9688 12.3492 C.ar 81 PHE81 -0.0615 1258 HE2 43.6795 3.1220 13.1128 H 81 PHE81 0.0618 1259 CZ 42.9978 3.6699 11.1552 C.ar 81 PHE81 -0.0617 1260 HZ 43.7970 4.3764 10.9930 H 81 PHE81 0.0618 1261 C 37.4650 1.3710 11.0410 C.2 81 PHE81 0.2190 1262 O 36.9480 2.3350 10.4670 O.2 81 PHE81 -0.2778 1263 N 37.2680 0.0860 10.6360 N.am 82 MET82 -0.2456 1264 H 37.6600 -0.6720 11.1940 H 82 MET82 0.1312 1265 CA 36.5230 -0.2380 9.4440 C.3 82 MET82 0.0885 1266 HA 36.3376 0.6896 8.9215 H 82 MET82 0.0557 1267 CB 37.3460 -1.1266 8.5029 C.3 82 MET82 -0.0199 1268 HB1 36.7419 -1.3766 7.6290 H 82 MET82 0.0293 1269 HB2 37.5876 -2.0719 8.9859 H 82 MET82 0.0293 1270 CG 38.6242 -0.4289 8.0235 C.3 82 MET82 -0.0047 1271 HG1 39.3162 -0.2431 8.8430 H 82 MET82 0.0377 1272 HG2 38.3729 0.5479 7.6090 H 82 MET82 0.0377 1273 SD 39.4680 -1.3870 6.7543 S.3 82 MET82 -0.1641 1274 CE 40.6101 -0.1137 6.1877 C.3 82 MET82 -0.0181 1275 HE1 41.3798 -0.5489 5.5504 H 82 MET82 0.0340 1276 HE2 41.0987 0.3559 7.0418 H 82 MET82 0.0340 1277 HE3 40.0746 0.6618 5.6403 H 82 MET82 0.0340 1278 C 35.1880 -0.8820 9.7780 C.2 82 MET82 0.2187 1279 O 35.1380 -2.0010 10.2750 O.2 82 MET82 -0.2778 1280 N 34.1140 -0.1280 9.5200 N.am 83 LEU83 -0.2456 1281 H 34.2640 0.8280 9.1980 H 83 LEU83 0.1312 1282 CA 32.7300 -0.5960 9.6730 C.3 83 LEU83 0.0880 1283 HA 32.7216 -1.3798 10.4335 H 83 LEU83 0.0557 1284 CB 31.8188 0.5584 10.1238 C.3 83 LEU83 -0.0266 1285 HB1 30.7816 0.3207 9.8786 H 83 LEU83 0.0287 1286 HB2 32.0592 1.4600 9.5627 H 83 LEU83 0.0287 1287 CG 31.8800 0.8578 11.6345 C.3 83 LEU83 -0.0449 1288 HG 31.5816 -0.0432 12.1721 H 83 LEU83 0.0296 1289 CD1 33.2861 1.2544 12.1126 C.3 83 LEU83 -0.0626 1290 HD11 33.2657 1.6110 13.1426 H 83 LEU83 0.0232 1291 HD12 33.7004 2.0539 11.4974 H 83 LEU83 0.0232 1292 HD13 33.9736 0.4099 12.0836 H 83 LEU83 0.0232 1293 CD2 30.8746 1.9614 11.9833 C.3 83 LEU83 -0.0626 1294 HD21 30.8573 2.1766 13.0514 H 83 LEU83 0.0232 1295 HD22 29.8612 1.6935 11.6836 H 83 LEU83 0.0232 1296 HD23 31.1411 2.8833 11.4692 H 83 LEU83 0.0232 1297 C 32.2570 -1.2120 8.3740 C.2 83 LEU83 0.2187 1298 O 32.5820 -0.7120 7.3020 O.2 83 LEU83 -0.2778 1299 N 31.4680 -2.2780 8.4700 N.am 84 VAL84 -0.2454 1300 H 31.2110 -2.6150 9.3980 H 84 VAL84 0.1312 1301 CA 30.9560 -2.9840 7.3000 C.3 84 VAL84 0.0901 1302 HA 31.3513 -2.5244 6.3920 H 84 VAL84 0.0560 1303 CB 31.3309 -4.4685 7.3319 C.3 84 VAL84 -0.0227 1304 HB 30.9009 -4.9080 8.2303 H 84 VAL84 0.0315 1305 CG1 30.7337 -5.2015 6.1233 C.3 84 VAL84 -0.0608 1306 HG11 30.7433 -6.2608 6.3257 H 84 VAL84 0.0233 1307 HG12 31.2926 -5.0000 5.2095 H 84 VAL84 0.0233 1308 HG13 29.6902 -4.9540 5.9345 H 84 VAL84 0.0233 1309 CG2 32.8503 -4.6769 7.4002 C.3 84 VAL84 -0.0608 1310 HG21 33.0990 -5.7381 7.3820 H 84 VAL84 0.0233 1311 HG22 33.2686 -4.2596 8.3168 H 84 VAL84 0.0233 1312 HG23 33.3505 -4.2018 6.5559 H 84 VAL84 0.0233 1313 C 29.4470 -2.8310 7.3020 C.2 84 VAL84 0.2189 1314 O 28.7800 -3.3590 8.1810 O.2 84 VAL84 -0.2778 1315 N 28.9120 -2.0760 6.3410 N.am 85 LEU85 -0.2456 1316 H 29.5050 -1.7190 5.5920 H 85 LEU85 0.1312 1317 CA 27.4990 -1.7570 6.3490 C.3 85 LEU85 0.0880 1318 HA 27.0106 -2.1943 7.2213 H 85 LEU85 0.0557 1319 CB 27.3567 -0.2240 6.3763 C.3 85 LEU85 -0.0266 1320 HB1 26.3012 0.0381 6.4153 H 85 LEU85 0.0287 1321 HB2 27.7353 0.1877 5.4415 H 85 LEU85 0.0287 1322 CG 28.0967 0.4716 7.5372 C.3 85 LEU85 -0.0449 1323 HG 29.1602 0.2368 7.4736 H 85 LEU85 0.0296 1324 CD1 27.9718 1.9929 7.4212 C.3 85 LEU85 -0.0626 1325 HD11 28.5250 2.4984 8.2139 H 85 LEU85 0.0232 1326 HD12 26.9286 2.3013 7.4948 H 85 LEU85 0.0232 1327 HD13 28.3639 2.3472 6.4676 H 85 LEU85 0.0232 1328 CD2 27.5916 0.0045 8.9053 C.3 85 LEU85 -0.0626 1329 HD21 28.0795 0.5544 9.7107 H 85 LEU85 0.0232 1330 HD22 27.8117 -1.0490 9.0515 H 85 LEU85 0.0232 1331 HD23 26.5149 0.1462 9.0047 H 85 LEU85 0.0232 1332 C 26.8480 -2.3210 5.1220 C.2 85 LEU85 0.2187 1333 O 27.5180 -2.5550 4.1190 O.2 85 LEU85 -0.2778 1334 N 25.5390 -2.5350 5.1840 N.am 86 GLU86 -0.2456 1335 H 25.0360 -2.3850 6.0580 H 86 GLU86 0.1312 1336 CA 24.8290 -2.9830 4.0030 C.3 86 GLU86 0.0883 1337 HA 25.3658 -3.8517 3.6175 H 86 GLU86 0.0557 1338 CB 23.3902 -3.3992 4.3364 C.3 86 GLU86 -0.0193 1339 HB1 23.3987 -4.3171 4.9239 H 86 GLU86 0.0290 1340 HB2 22.8807 -3.6508 3.4049 H 86 GLU86 0.0290 1341 CG 22.6231 -2.3215 5.1138 C.3 86 GLU86 0.0356 1342 HG1 22.9122 -1.3389 4.7616 H 86 GLU86 0.0374 1343 HG2 22.8808 -2.3696 6.1694 H 86 GLU86 0.0374 1344 CD 21.1012 -2.4249 4.9401 C.2 86 GLU86 0.1760 1345 OE1 20.6371 -2.6316 3.8246 O.co2 86 GLU86 -0.6478 1346 OE2 20.3608 -2.2855 5.9090 O.co2 86 GLU86 -0.6478 1347 C 24.8970 -1.8920 2.9310 C.2 86 GLU86 0.2187 1348 O 25.1290 -0.7190 3.1980 O.2 86 GLU86 -0.2778 1349 N 24.6970 -2.3260 1.7110 N.am 87 ARG87 -0.2456 1350 H 24.4640 -3.3100 1.5760 H 87 ARG87 0.1312 1351 CA 24.7910 -1.4830 0.5600 C.3 87 ARG87 0.0881 1352 HA 24.5975 -0.4473 0.8400 H 87 ARG87 0.0557 1353 CB 26.1776 -1.5994 -0.0773 C.3 87 ARG87 -0.0258 1354 HB1 26.4291 -2.6439 -0.2640 H 87 ARG87 0.0286 1355 HB2 26.8943 -1.2326 0.6539 H 87 ARG87 0.0286 1356 CG 26.3105 -0.7781 -1.3681 C.3 87 ARG87 -0.0154 1357 HG1 25.8418 0.1939 -1.2241 H 87 ARG87 0.0299 1358 HG2 25.7569 -1.2562 -2.1771 H 87 ARG87 0.0299 1359 CD 27.7723 -0.5635 -1.7712 C.3 87 ARG87 0.1045 1360 HD1 28.3497 -0.1885 -0.9220 H 87 ARG87 0.0711 1361 HD2 27.8708 0.1773 -2.5682 H 87 ARG87 0.0711 1362 NE 28.3838 -1.8305 -2.1789 N.pl3 87 ARG87 -0.4450 1363 HE 28.8146 -2.3855 -1.4668 H 87 ARG87 0.3153 1364 CZ 28.4069 -2.2968 -3.4197 C.cat 87 ARG87 0.5062 1365 NH1 27.8238 -1.6479 -4.3901 N.pl3 87 ARG87 -0.4573 1366 HH11 27.8624 -1.9828 -5.3276 H 87 ARG87 0.3114 1367 HH12 27.3320 -0.8054 -4.1790 H 87 ARG87 0.3114 1368 NH2 29.0249 -3.4181 -3.6740 N.pl3 87 ARG87 -0.4573 1369 HH21 29.0501 -3.7894 -4.5977 H 87 ARG87 0.3114 1370 HH22 29.4842 -3.9130 -2.9353 H 87 ARG87 0.3114 1371 C 23.7050 -2.0270 -0.3270 C.2 87 ARG87 0.2213 1372 O 23.9050 -3.0540 -0.9910 O.2 87 ARG87 -0.2776 1373 N 22.5310 -1.3690 -0.2870 N.am 88 PRO88 -0.2316 1374 CA 21.5410 -1.6340 -1.3100 C.3 88 PRO88 0.0907 1375 HA 21.2600 -2.6854 -1.2293 H 88 PRO88 0.0559 1376 CD 22.1495 -0.3593 0.6969 C.3 88 PRO88 0.0071 1377 HD1 22.6715 0.5638 0.4428 H 88 PRO88 0.0431 1378 HD2 22.4096 -0.6917 1.7040 H 88 PRO88 0.0431 1379 CB 20.3883 -0.7023 -0.9390 C.3 88 PRO88 -0.0276 1380 HB1 19.4687 -1.2658 -0.9818 H 88 PRO88 0.0285 1381 HB2 20.2990 0.1477 -1.6156 H 88 PRO88 0.0285 1382 CG 20.6453 -0.2294 0.4926 C.3 88 PRO88 -0.0379 1383 HG1 20.2824 0.7830 0.6723 H 88 PRO88 0.0278 1384 HG2 20.1323 -0.8927 1.1902 H 88 PRO88 0.0278 1385 C 22.1830 -1.3370 -2.6400 C.2 88 PRO88 0.2189 1386 O 23.0260 -0.4590 -2.7370 O.2 88 PRO88 -0.2778 1387 N 21.7820 -2.0750 -3.6520 N.am 89 LEU89 -0.2456 1388 H 21.0770 -2.7950 -3.4940 H 89 LEU89 0.1312 1389 CA 22.3100 -1.8920 -4.9700 C.3 89 LEU89 0.0883 1390 HA 22.8379 -0.9457 -4.9936 H 89 LEU89 0.0557 1391 CB 23.2757 -3.0369 -5.3182 C.3 89 LEU89 -0.0266 1392 HB1 22.7114 -3.9693 -5.3091 H 89 LEU89 0.0287 1393 HB2 24.0290 -3.1372 -4.5358 H 89 LEU89 0.0287 1394 CG 23.9676 -2.8694 -6.6893 C.3 89 LEU89 -0.0449 1395 HG 23.2193 -2.5835 -7.4293 H 89 LEU89 0.0296 1396 CD1 25.0413 -1.7759 -6.6565 C.3 89 LEU89 -0.0626 1397 HD11 25.4765 -1.6271 -7.6452 H 89 LEU89 0.0232 1398 HD12 25.8430 -2.0543 -5.9780 H 89 LEU89 0.0232 1399 HD13 24.6438 -0.8182 -6.3262 H 89 LEU89 0.0232 1400 CD2 24.5797 -4.1894 -7.1725 C.3 89 LEU89 -0.0626 1401 HD21 25.0278 -4.0751 -8.1599 H 89 LEU89 0.0232 1402 HD22 23.8214 -4.9694 -7.2462 H 89 LEU89 0.0232 1403 HD23 25.3560 -4.5378 -6.4929 H 89 LEU89 0.0232 1404 C 21.1350 -1.9230 -5.9150 C.2 89 LEU89 0.2214 1405 O 20.3460 -2.8550 -5.8360 O.2 89 LEU89 -0.2776 1406 N 20.9470 -0.8920 -6.7480 N.am 90 PRO90 -0.2316 1407 CA 21.6650 0.3930 -6.6750 C.3 90 PRO90 0.0907 1408 HA 22.7370 0.2473 -6.5784 H 90 PRO90 0.0559 1409 CD 19.9569 -0.9797 -7.8067 C.3 90 PRO90 0.0071 1410 HD1 18.9850 -1.1298 -7.3461 H 90 PRO90 0.0431 1411 HD2 20.2229 -1.8174 -8.4534 H 90 PRO90 0.0431 1412 CB 21.3890 0.9678 -8.0724 C.3 90 PRO90 -0.0276 1413 HB1 22.1656 0.6214 -8.7552 H 90 PRO90 0.0285 1414 HB2 21.3946 2.0585 -8.1151 H 90 PRO90 0.0285 1415 CG 20.0530 0.3702 -8.5137 C.3 90 PRO90 -0.0379 1416 HG1 19.2356 1.0044 -8.1786 H 90 PRO90 0.0278 1417 HG2 19.9740 0.2813 -9.5972 H 90 PRO90 0.0278 1418 C 21.1420 1.3580 -5.6130 C.2 90 PRO90 0.2189 1419 O 19.9590 1.3310 -5.2420 O.2 90 PRO90 -0.2778 1420 N 22.0130 2.2490 -5.1750 N.am 91 ALA91 -0.2459 1421 H 22.9500 2.2660 -5.5780 H 91 ALA91 0.1312 1422 CA 21.6730 3.2090 -4.1320 C.3 91 ALA91 0.0850 1423 HA 20.6006 3.3920 -4.1938 H 91 ALA91 0.0554 1424 CB 22.0468 2.6471 -2.7548 C.3 91 ALA91 -0.0411 1425 HB1 21.7665 3.3341 -1.9552 H 91 ALA91 0.0249 1426 HB2 23.1176 2.4565 -2.6771 H 91 ALA91 0.0249 1427 HB3 21.5274 1.7083 -2.5742 H 91 ALA91 0.0249 1428 C 22.3620 4.5290 -4.3770 C.2 91 ALA91 0.2184 1429 O 23.3770 4.5880 -5.0200 O.2 91 ALA91 -0.2778 1430 N 21.7840 5.5810 -3.8320 N.am 92 GLN92 -0.2456 1431 H 20.9420 5.4380 -3.2750 H 92 GLN92 0.1312 1432 CA 22.2890 6.9330 -3.9870 C.3 92 GLN92 0.0882 1433 HA 23.3793 6.9152 -4.0166 H 92 GLN92 0.0557 1434 CB 21.6631 7.4645 -5.2902 C.3 92 GLN92 -0.0210 1435 HB1 20.5757 7.4445 -5.1930 H 92 GLN92 0.0289 1436 HB2 21.9095 6.7602 -6.0855 H 92 GLN92 0.0289 1437 CG 22.1167 8.8563 -5.7487 C.3 92 GLN92 0.0225 1438 HG1 23.1982 8.8878 -5.8814 H 92 GLN92 0.0356 1439 HG2 21.8460 9.6063 -5.0145 H 92 GLN92 0.0356 1440 CD 21.4249 9.2267 -7.0727 C.2 92 GLN92 0.1981 1441 OE1 20.3426 8.7453 -7.3891 O.2 92 GLN92 -0.2798 1442 NE2 22.1068 10.1025 -7.8222 N.am 92 GLN92 -0.2724 1443 HE21 21.7592 10.4236 -8.7011 H 92 GLN92 0.1266 1444 HE22 22.9936 10.4608 -7.5174 H 92 GLN92 0.1266 1445 C 21.8140 7.6590 -2.7540 C.2 92 GLN92 0.2187 1446 O 20.6680 7.4340 -2.3150 O.2 92 GLN92 -0.2778 1447 N 22.6580 8.5170 -2.1880 N.am 93 ASP93 -0.2451 1448 H 23.6360 8.5340 -2.4760 H 93 ASP93 0.1312 1449 CA 22.1870 9.4340 -1.1560 C.3 93 ASP93 0.0974 1450 HA 21.6520 8.8719 -0.4097 H 93 ASP93 0.0563 1451 CB 23.3504 10.2046 -0.5152 C.3 93 ASP93 0.0576 1452 HB1 23.0018 10.8135 0.3196 H 93 ASP93 0.0394 1453 HB2 23.8094 10.8842 -1.2354 H 93 ASP93 0.0394 1454 CG 24.4344 9.2623 0.0074 C.2 93 ASP93 0.1780 1455 OD1 24.2405 8.6043 1.0195 O.co2 93 ASP93 -0.6478 1456 OD2 25.4888 9.1908 -0.5966 O.co2 93 ASP93 -0.6478 1457 C 21.2550 10.4450 -1.7880 C.2 93 ASP93 0.2192 1458 O 21.2610 10.6840 -3.0250 O.2 93 ASP93 -0.2778 1459 N 20.4280 11.0110 -0.9240 N.am 94 LEU94 -0.2456 1460 H 20.5560 10.8430 0.0740 H 94 LEU94 0.1312 1461 CA 19.3500 11.8600 -1.3650 C.3 94 LEU94 0.0880 1462 HA 18.8204 11.3407 -2.1641 H 94 LEU94 0.0557 1463 CB 18.4336 12.0176 -0.1350 C.3 94 LEU94 -0.0266 1464 HB1 19.0425 12.2950 0.7189 H 94 LEU94 0.0287 1465 HB2 18.0170 11.0416 0.1162 H 94 LEU94 0.0287 1466 CG 17.2966 13.0419 -0.2320 C.3 94 LEU94 -0.0449 1467 HG 17.7260 14.0270 -0.4245 H 94 LEU94 0.0296 1468 CD1 16.3319 12.7053 -1.3669 C.3 94 LEU94 -0.0626 1469 HD11 15.5251 13.4346 -1.3841 H 94 LEU94 0.0232 1470 HD12 15.8911 11.7169 -1.2382 H 94 LEU94 0.0232 1471 HD13 16.8280 12.7335 -2.3363 H 94 LEU94 0.0232 1472 CD2 16.5452 13.1272 1.1052 C.3 94 LEU94 -0.0626 1473 HD21 15.8188 13.9388 1.0963 H 94 LEU94 0.0232 1474 HD22 17.2265 13.3192 1.9331 H 94 LEU94 0.0232 1475 HD23 16.0145 12.2006 1.3228 H 94 LEU94 0.0232 1476 C 19.8550 13.1660 -1.8980 C.2 94 LEU94 0.2187 1477 O 19.2240 13.7340 -2.7940 O.2 94 LEU94 -0.2778 1478 N 20.9650 13.6730 -1.3500 N.am 95 PHE95 -0.2453 1479 H 21.3740 13.2390 -0.5220 H 95 PHE95 0.1312 1480 CA 21.5870 14.8510 -1.9440 C.3 95 PHE95 0.0917 1481 HA 20.9005 15.6947 -1.8491 H 95 PHE95 0.0560 1482 CB 22.9257 15.1058 -1.2294 C.3 95 PHE95 -0.0036 1483 HB1 23.5360 14.2018 -1.2336 H 95 PHE95 0.0333 1484 HB2 22.7496 15.3178 -0.1812 H 95 PHE95 0.0333 1485 CG 23.7063 16.2312 -1.8649 C.ar 95 PHE95 -0.0454 1486 CD1 23.2930 17.5501 -1.7112 C.ar 95 PHE95 -0.0585 1487 HD1 22.4353 17.7766 -1.0924 H 95 PHE95 0.0620 1488 CD2 24.8030 15.9599 -2.6798 C.ar 95 PHE95 -0.0585 1489 HD2 25.1211 14.9387 -2.8320 H 95 PHE95 0.0620 1490 CE1 23.9634 18.5811 -2.3553 C.ar 95 PHE95 -0.0615 1491 HE1 23.6234 19.5977 -2.2241 H 95 PHE95 0.0618 1492 CE2 25.4730 16.9878 -3.3302 C.ar 95 PHE95 -0.0615 1493 HE2 26.3136 16.7600 -3.9682 H 95 PHE95 0.0618 1494 CZ 25.0532 18.3009 -3.1682 C.ar 95 PHE95 -0.0617 1495 HZ 25.5669 19.1028 -3.6756 H 95 PHE95 0.0618 1496 C 21.8950 14.5840 -3.4210 C.2 95 PHE95 0.2190 1497 O 21.5540 15.3760 -4.2630 O.2 95 PHE95 -0.2778 1498 N 22.5390 13.4890 -3.7310 N.am 96 ASP96 -0.2451 1499 H 22.7940 12.8290 -2.9970 H 96 ASP96 0.1312 1500 CA 22.8960 13.2020 -5.1150 C.3 96 ASP96 0.0974 1501 HA 23.4056 14.0864 -5.5003 H 96 ASP96 0.0563 1502 CB 23.8832 12.0249 -5.0550 C.3 96 ASP96 0.0576 1503 HB1 23.3801 11.1047 -4.7711 H 96 ASP96 0.0394 1504 HB2 24.6243 12.2143 -4.2798 H 96 ASP96 0.0394 1505 CG 24.6747 11.8064 -6.3451 C.2 96 ASP96 0.1780 1506 OD1 25.0589 12.7880 -6.9756 O.co2 96 ASP96 -0.6478 1507 OD2 24.9037 10.6524 -6.6994 O.co2 96 ASP96 -0.6478 1508 C 21.6730 12.9360 -5.9780 C.2 96 ASP96 0.2192 1509 O 21.6990 13.2320 -7.1700 O.2 96 ASP96 -0.2778 1510 N 20.6160 12.4040 -5.3700 N.am 97 TYR97 -0.2453 1511 H 20.6540 12.1980 -4.3720 H 97 TYR97 0.1312 1512 CA 19.4210 12.1180 -6.1140 C.3 97 TYR97 0.0917 1513 HA 19.7197 11.5444 -6.9922 H 97 TYR97 0.0560 1514 CB 18.5092 11.3004 -5.1826 C.3 97 TYR97 -0.0036 1515 HB1 18.2359 11.9037 -4.3167 H 97 TYR97 0.0333 1516 HB2 19.0713 10.4516 -4.7902 H 97 TYR97 0.0333 1517 CG 17.2611 10.7582 -5.8298 C.ar 97 TYR97 -0.0453 1518 CD1 17.3160 10.0736 -7.0410 C.ar 97 TYR97 -0.0561 1519 HD1 18.2541 9.9613 -7.5621 H 97 TYR97 0.0621 1520 CD2 16.0379 10.8680 -5.1761 C.ar 97 TYR97 -0.0561 1521 HD2 15.9765 11.3841 -4.2286 H 97 TYR97 0.0621 1522 CE1 16.1701 9.5152 -7.5904 C.ar 97 TYR97 -0.0317 1523 HE1 16.2222 8.9811 -8.5265 H 97 TYR97 0.0643 1524 CE2 14.8889 10.3214 -5.7305 C.ar 97 TYR97 -0.0317 1525 HE2 13.9444 10.4314 -5.2225 H 97 TYR97 0.0643 1526 CZ 14.9539 9.6448 -6.9391 C.ar 97 TYR97 0.0726 1527 OH 13.8147 9.1001 -7.4944 O.3 97 TYR97 -0.3598 1528 HH 13.0715 9.2858 -6.9359 H 97 TYR97 0.2173 1529 C 18.8130 13.4180 -6.5660 C.2 97 TYR97 0.2190 1530 O 18.4950 13.6090 -7.7310 O.2 97 TYR97 -0.2778 1531 N 18.6860 14.3270 -5.6160 N.am 98 ILE98 -0.2454 1532 H 18.9130 14.0620 -4.6580 H 98 ILE98 0.1312 1533 CA 18.2360 15.6930 -5.8720 C.3 98 ILE98 0.0903 1534 HA 17.2722 15.5875 -6.3739 H 98 ILE98 0.0560 1535 CB 17.9835 16.4220 -4.5406 C.3 98 ILE98 -0.0201 1536 HB 18.8915 16.3570 -3.9378 H 98 ILE98 0.0318 1537 CG1 16.8390 15.7077 -3.7912 C.3 98 ILE98 -0.0514 1538 HG11 17.0280 14.6371 -3.7306 H 98 ILE98 0.0266 1539 HG12 15.9075 15.8193 -4.3469 H 98 ILE98 0.0266 1540 CG2 17.6491 17.9127 -4.7459 C.3 98 ILE98 -0.0605 1541 HG21 17.4790 18.4205 -3.7966 H 98 ILE98 0.0233 1542 HG22 16.7538 18.0341 -5.3562 H 98 ILE98 0.0233 1543 HG23 18.4638 18.4455 -5.2358 H 98 ILE98 0.0233 1544 CD1 16.6393 16.2191 -2.3701 C.3 98 ILE98 -0.0650 1545 HD11 15.8953 15.6300 -1.8381 H 98 ILE98 0.0230 1546 HD12 16.2917 17.2516 -2.3724 H 98 ILE98 0.0230 1547 HD13 17.5677 16.1718 -1.7997 H 98 ILE98 0.0230 1548 C 19.1090 16.4330 -6.8590 C.2 98 ILE98 0.2190 1549 O 18.6110 17.1500 -7.7330 O.2 98 ILE98 -0.2778 1550 N 20.4090 16.2540 -6.7680 N.am 99 THR99 -0.2434 1551 H 20.7970 15.6740 -6.0240 H 99 THR99 0.1313 1552 CA 21.3040 16.9000 -7.7520 C.3 99 THR99 0.1135 1553 HA 21.0924 17.9698 -7.7490 H 99 THR99 0.0583 1554 CB 22.7566 16.6350 -7.3034 C.3 99 THR99 0.0763 1555 HB 22.8722 15.5498 -7.1773 H 99 THR99 0.0611 1556 OG1 22.9464 17.3110 -6.0683 O.3 99 THR99 -0.3900 1557 HG1 23.6992 16.9671 -5.5945 H 99 THR99 0.2098 1558 CG2 23.8154 17.1362 -8.2979 C.3 99 THR99 -0.0370 1559 HG21 24.8237 16.9546 -7.9257 H 99 THR99 0.0255 1560 HG22 23.7085 18.2064 -8.4732 H 99 THR99 0.0255 1561 HG23 23.7347 16.6264 -9.2579 H 99 THR99 0.0255 1562 C 21.0540 16.3450 -9.1400 C.2 99 THR99 0.2212 1563 O 21.1170 17.0670 -10.1170 O.2 99 THR99 -0.2777 1564 N 20.7830 15.0500 -9.2220 N.am 100 GLU100 -0.2456 1565 H 20.6720 14.5180 -8.3590 H 100 GLU100 0.1312 1566 CA 20.6370 14.3540 -10.5010 C.3 100 GLU100 0.0883 1567 HA 21.4208 14.7621 -11.1416 H 100 GLU100 0.0557 1568 CB 20.9120 12.8437 -10.3221 C.3 100 GLU100 -0.0193 1569 HB1 20.0310 12.3135 -9.9591 H 100 GLU100 0.0290 1570 HB2 21.6451 12.7473 -9.5224 H 100 GLU100 0.0290 1571 CG 21.5493 12.1502 -11.5520 C.3 100 GLU100 0.0356 1572 HG1 22.3363 11.4753 -11.2135 H 100 GLU100 0.0374 1573 HG2 22.0362 12.8714 -12.2069 H 100 GLU100 0.0374 1574 CD 20.5629 11.3159 -12.3887 C.2 100 GLU100 0.1760 1575 OE1 20.5860 10.0864 -12.3211 O.co2 100 GLU100 -0.6478 1576 OE2 19.7494 11.8738 -13.1178 O.co2 100 GLU100 -0.6478 1577 C 19.3110 14.6680 -11.1800 C.2 100 GLU100 0.2187 1578 O 19.3010 14.8740 -12.3760 O.2 100 GLU100 -0.2778 1579 N 18.2280 14.7050 -10.3970 N.am 101 LYS101 -0.2457 1580 H 18.3680 14.6940 -9.3870 H 101 LYS101 0.1312 1581 CA 16.8630 14.7600 -10.8950 C.3 101 LYS101 0.0878 1582 HA 16.8721 14.5710 -11.9695 H 101 LYS101 0.0557 1583 CB 16.0217 13.6945 -10.1531 C.3 101 LYS101 -0.0289 1584 HB1 15.0317 13.6290 -10.6067 H 101 LYS101 0.0285 1585 HB2 15.8581 14.0161 -9.1217 H 101 LYS101 0.0285 1586 CG 16.6365 12.2922 -10.0873 C.3 101 LYS101 -0.0496 1587 HG1 15.9784 11.6468 -9.5061 H 101 LYS101 0.0266 1588 HG2 17.5767 12.3261 -9.5389 H 101 LYS101 0.0266 1589 CD 16.8772 11.6637 -11.4582 C.3 101 LYS101 -0.0278 1590 HD1 17.4553 12.3580 -12.0684 H 101 LYS101 0.0282 1591 HD2 15.9321 11.5040 -11.9769 H 101 LYS101 0.0282 1592 CE 17.6558 10.3540 -11.3297 C.3 101 LYS101 0.1103 1593 HE1 17.0647 9.5653 -10.8640 H 101 LYS101 0.0559 1594 HE2 18.5316 10.5164 -10.6969 H 101 LYS101 0.0559 1595 NZ 18.1433 9.8892 -12.6194 N.4 101 LYS101 -0.0749 1596 HZ1 18.9965 9.3053 -12.4753 H 101 LYS101 0.2742 1597 HZ2 18.5389 10.7045 -13.1336 H 101 LYS101 0.2742 1598 HZ3 17.4166 9.4221 -13.1821 H 101 LYS101 0.2742 1599 C 16.1400 16.0900 -10.6420 C.2 101 LYS101 0.2185 1600 O 15.2030 16.3880 -11.3200 O.2 101 LYS101 -0.2778 1601 N 16.5250 16.8620 -9.6330 N.am 102 GLY102 -0.2485 1602 H 17.3600 16.6040 -9.1070 H 102 GLY102 0.1309 1603 CA 15.7870 18.0830 -9.2450 C.3 102 GLY102 0.0767 1604 HA1 15.2406 18.4726 -10.1043 H 102 GLY102 0.0521 1605 HA2 16.5365 18.8146 -8.9446 H 102 GLY102 0.0521 1606 C 14.8520 17.8300 -8.0830 C.2 102 GLY102 0.2182 1607 O 14.9440 16.7680 -7.4430 O.2 102 GLY102 -0.2779 1608 N 13.9620 18.8000 -7.7660 N.am 103 PRO103 -0.2318 1609 CA 12.9690 18.4700 -6.7250 C.3 103 PRO103 0.0907 1610 HA 13.4829 18.5007 -5.7618 H 103 PRO103 0.0559 1611 CD 13.8518 20.1096 -8.3791 C.3 103 PRO103 0.0071 1612 HD1 13.5604 19.9623 -9.4198 H 103 PRO103 0.0431 1613 HD2 14.8111 20.6255 -8.3099 H 103 PRO103 0.0431 1614 CB 11.9686 19.6170 -6.8944 C.3 103 PRO103 -0.0276 1615 HB1 11.5410 19.9098 -5.9418 H 103 PRO103 0.0285 1616 HB2 11.1496 19.3233 -7.5524 H 103 PRO103 0.0285 1617 CG 12.7466 20.7640 -7.5518 C.3 103 PRO103 -0.0379 1618 HG1 12.1087 21.4182 -8.1457 H 103 PRO103 0.0278 1619 HG2 13.2095 21.3744 -6.7828 H 103 PRO103 0.0278 1620 C 12.3330 17.0730 -6.9800 C.2 103 PRO103 0.2189 1621 O 12.1560 16.6810 -8.1340 O.2 103 PRO103 -0.2778 1622 N 11.9850 16.3570 -5.9160 N.am 104 LEU104 -0.2456 1623 H 12.0990 16.7640 -4.9880 H 104 LEU104 0.1312 1624 CA 11.4430 15.0020 -6.0360 C.3 104 LEU104 0.0880 1625 HA 11.9895 14.5284 -6.8531 H 104 LEU104 0.0557 1626 CB 11.7073 14.1893 -4.7665 C.3 104 LEU104 -0.0266 1627 HB1 11.3152 13.1823 -4.9126 H 104 LEU104 0.0287 1628 HB2 11.1486 14.6161 -3.9397 H 104 LEU104 0.0287 1629 CG 13.1911 14.0934 -4.3665 C.3 104 LEU104 -0.0449 1630 HG 13.5028 15.0505 -3.9436 H 104 LEU104 0.0296 1631 CD1 13.3550 13.0226 -3.2855 C.3 104 LEU104 -0.0626 1632 HD11 14.4062 12.8518 -3.0774 H 104 LEU104 0.0232 1633 HD12 12.9369 12.0710 -3.6110 H 104 LEU104 0.0232 1634 HD13 12.8614 13.3125 -2.3572 H 104 LEU104 0.0232 1635 CD2 14.1206 13.7934 -5.5538 C.3 104 LEU104 -0.0626 1636 HD21 15.1462 13.6351 -5.2193 H 104 LEU104 0.0232 1637 HD22 14.1512 14.6222 -6.2599 H 104 LEU104 0.0232 1638 HD23 13.7983 12.9052 -6.0955 H 104 LEU104 0.0232 1639 C 9.9710 14.9330 -6.4660 C.2 104 LEU104 0.2185 1640 O 9.5490 13.9170 -7.0470 O.2 104 LEU104 -0.2778 1641 N 9.1920 15.9850 -6.2200 N.am 105 GLY105 -0.2485 1642 H 9.6020 16.8810 -5.9570 H 105 GLY105 0.1309 1643 CA 7.7380 15.8370 -6.3320 C.3 105 GLY105 0.0765 1644 HA1 7.4850 15.1660 -7.1544 H 105 GLY105 0.0521 1645 HA2 7.3390 16.8266 -6.5545 H 105 GLY105 0.0521 1646 C 7.1490 15.3210 -5.0110 C.2 105 GLY105 0.2155 1647 O 7.7810 14.5320 -4.2680 O.2 105 GLY105 -0.2781 1648 N 5.9420 15.7640 -4.7070 N.am 106 GLU106 -0.2459 1649 H 5.4510 16.3700 -5.3640 H 106 GLU106 0.1312 1650 CA 5.3120 15.4090 -3.4740 C.3 106 GLU106 0.0883 1651 HA 5.9943 15.6905 -2.6704 H 106 GLU106 0.0557 1652 CB 4.0005 16.1550 -3.3227 C.3 106 GLU106 -0.0193 1653 HB1 3.5268 15.8278 -2.3946 H 106 GLU106 0.0290 1654 HB2 3.3058 15.9050 -4.1261 H 106 GLU106 0.0290 1655 CG 4.2240 17.6653 -3.2862 C.3 106 GLU106 0.0356 1656 HG1 4.3685 18.0763 -4.2843 H 106 GLU106 0.0374 1657 HG2 5.1079 17.9111 -2.6968 H 106 GLU106 0.0374 1658 CD 3.0391 18.3595 -2.6394 C.2 106 GLU106 0.1760 1659 OE1 1.9633 17.7692 -2.5492 O.co2 106 GLU106 -0.6478 1660 OE2 3.2190 19.4896 -2.2225 O.co2 106 GLU106 -0.6478 1661 C 5.0150 13.9070 -3.3480 C.2 106 GLU106 0.2185 1662 O 5.1390 13.3560 -2.2620 O.2 106 GLU106 -0.2778 1663 N 4.7100 13.2260 -4.4500 N.am 107 GLY107 -0.2485 1664 H 4.6070 13.7260 -5.3330 H 107 GLY107 0.1309 1665 CA 4.5210 11.7920 -4.4210 C.3 107 GLY107 0.0767 1666 HA1 4.3391 11.4452 -5.4363 H 107 GLY107 0.0521 1667 HA2 3.6265 11.5931 -3.8294 H 107 GLY107 0.0521 1668 C 5.7000 11.0850 -3.7870 C.2 107 GLY107 0.2182 1669 O 5.6230 10.5640 -2.6650 O.2 107 GLY107 -0.2779 1670 N 6.8230 11.0730 -4.4840 N.am 108 PRO108 -0.2318 1671 CA 8.0050 10.4330 -3.8760 C.3 108 PRO108 0.0907 1672 HA 7.7713 9.3746 -3.7508 H 108 PRO108 0.0559 1673 CD 7.0344 11.5891 -5.8326 C.3 108 PRO108 0.0071 1674 HD1 7.1666 12.6672 -5.7632 H 108 PRO108 0.0431 1675 HD2 6.1968 11.3434 -6.4846 H 108 PRO108 0.0431 1676 CB 9.0829 10.6363 -4.9551 C.3 108 PRO108 -0.0276 1677 HB1 9.7666 9.7901 -5.0240 H 108 PRO108 0.0285 1678 HB2 9.6836 11.5243 -4.7493 H 108 PRO108 0.0285 1679 CG 8.3176 10.8760 -6.2555 C.3 108 PRO108 -0.0379 1680 HG1 8.8938 11.4424 -6.9870 H 108 PRO108 0.0278 1681 HG2 8.0653 9.9155 -6.7060 H 108 PRO108 0.0278 1682 C 8.4700 11.0100 -2.5610 C.2 108 PRO108 0.2190 1683 O 9.0690 10.2760 -1.7600 O.2 108 PRO108 -0.2778 1684 N 8.2680 12.2990 -2.3330 N.am 109 SER109 -0.2436 1685 H 7.7900 12.8750 -3.0260 H 109 SER109 0.1312 1686 CA 8.7370 12.8940 -1.0740 C.3 109 SER109 0.1109 1687 HA 9.7760 12.5852 -0.9397 H 109 SER109 0.0580 1688 CB 8.6991 14.4253 -1.1498 C.3 109 SER109 0.0681 1689 HB1 8.9675 14.8568 -0.1777 H 109 SER109 0.0577 1690 HB2 7.6921 14.7637 -1.4128 H 109 SER109 0.0577 1691 OG 9.6327 14.8410 -2.1331 O.3 109 SER109 -0.3930 1692 HG 9.6769 15.7905 -2.2028 H 109 SER109 0.2095 1693 C 7.9560 12.4010 0.1210 C.2 109 SER109 0.2209 1694 O 8.5150 12.2430 1.1550 O.2 109 SER109 -0.2777 1695 N 6.6510 12.2180 -0.0510 N.am 110 ARG110 -0.2456 1696 H 6.2430 12.5230 -0.9350 H 110 ARG110 0.1312 1697 CA 5.7490 11.6060 0.9430 C.3 110 ARG110 0.0879 1698 HA 5.7893 12.2201 1.8422 H 110 ARG110 0.0557 1699 CB 4.3398 11.6138 0.2984 C.3 110 ARG110 -0.0258 1700 HB1 4.2681 10.8490 -0.4755 H 110 ARG110 0.0286 1701 HB2 4.2253 12.5651 -0.2168 H 110 ARG110 0.0286 1702 CG 3.1509 11.5000 1.2631 C.3 110 ARG110 -0.0154 1703 HG1 3.2313 12.3079 1.9882 H 110 ARG110 0.0299 1704 HG2 3.2164 10.5669 1.8238 H 110 ARG110 0.0299 1705 CD 1.7715 11.5859 0.5661 C.3 110 ARG110 0.1045 1706 HD1 0.9738 11.4502 1.3032 H 110 ARG110 0.0711 1707 HD2 1.6510 10.8051 -0.1877 H 110 ARG110 0.0711 1708 NE 1.6016 12.8910 -0.0961 N.pl3 110 ARG110 -0.4450 1709 HE 2.3866 13.4488 -0.3479 H 110 ARG110 0.3153 1710 CZ 0.4157 13.4475 -0.3684 C.cat 110 ARG110 0.5062 1711 NH1 -0.7117 12.8385 -0.1067 N.pl3 110 ARG110 -0.4573 1712 HH11 -1.5891 13.2478 -0.3253 H 110 ARG110 0.3114 1713 HH12 -0.7401 11.9403 0.3545 H 110 ARG110 0.3114 1714 NH2 0.3741 14.6470 -0.8951 N.pl3 110 ARG110 -0.4573 1715 HH21 -0.5071 15.0626 -1.1023 H 110 ARG110 0.3114 1716 HH22 1.2027 15.1748 -1.0791 H 110 ARG110 0.3114 1717 C 6.2780 10.2040 1.2640 C.2 110 ARG110 0.2187 1718 O 6.4770 9.8370 2.4100 O.2 110 ARG110 -0.2778 1719 N 6.5520 9.4400 0.2180 N.am 111 CYS111 -0.2449 1720 H 6.3480 9.7670 -0.7260 H 111 CYS111 0.1312 1721 CA 7.1370 8.1520 0.4250 C.3 111 CYS111 0.0965 1722 HA 6.4114 7.5640 0.9902 H 111 CYS111 0.0565 1723 CB 7.3967 7.4749 -0.9277 C.3 111 CYS111 0.0147 1724 HB1 8.1148 8.0476 -1.5126 H 111 CYS111 0.0394 1725 HB2 6.4751 7.4549 -1.5098 H 111 CYS111 0.0394 1726 SG 8.0117 5.7778 -0.7670 S.3 111 CYS111 -0.1762 1727 HG 8.4131 5.3215 -1.9566 H 111 CYS111 0.1017 1728 C 8.4340 8.2320 1.2540 C.2 111 CYS111 0.2195 1729 O 8.5140 7.6330 2.3380 O.2 111 CYS111 -0.2778 1730 N 9.4280 8.9830 0.7830 N.am 112 PHE112 -0.2453 1731 H 9.2730 9.5460 -0.0530 H 112 PHE112 0.1312 1732 CA 10.7440 9.0210 1.4380 C.3 112 PHE112 0.0917 1733 HA 11.0377 7.9839 1.6033 H 112 PHE112 0.0560 1734 CB 11.7815 9.7266 0.5471 C.3 112 PHE112 -0.0036 1735 HB1 12.7436 9.7826 1.0587 H 112 PHE112 0.0333 1736 HB2 11.4684 10.7564 0.3662 H 112 PHE112 0.0333 1737 CG 12.0072 9.0304 -0.7727 C.ar 112 PHE112 -0.0454 1738 CD1 12.2983 7.6684 -0.8324 C.ar 112 PHE112 -0.0585 1739 HD1 12.3595 7.0758 0.0676 H 112 PHE112 0.0620 1740 CD2 11.9658 9.7564 -1.9591 C.ar 112 PHE112 -0.0585 1741 HD2 11.7482 10.8147 -1.9364 H 112 PHE112 0.0620 1742 CE1 12.5228 7.0451 -2.0524 C.ar 112 PHE112 -0.0615 1743 HE1 12.7542 5.9906 -2.0839 H 112 PHE112 0.0618 1744 CE2 12.1718 9.1320 -3.1814 C.ar 112 PHE112 -0.0615 1745 HE2 12.1083 9.7057 -4.0933 H 112 PHE112 0.0618 1746 CZ 12.4566 7.7754 -3.2296 C.ar 112 PHE112 -0.0617 1747 HZ 12.6287 7.2876 -4.1779 H 112 PHE112 0.0618 1748 C 10.7030 9.6710 2.8130 C.2 112 PHE112 0.2190 1749 O 11.3460 9.1870 3.7360 O.2 112 PHE112 -0.2778 1750 N 9.9430 10.7430 2.9450 N.am 113 PHE113 -0.2453 1751 H 9.4680 11.1190 2.1240 H 113 PHE113 0.1312 1752 CA 9.7670 11.3970 4.2210 C.3 113 PHE113 0.0917 1753 HA 10.7724 11.6329 4.5745 H 113 PHE113 0.0560 1754 CB 8.9793 12.7012 4.0220 C.3 113 PHE113 -0.0036 1755 HB1 7.9617 12.4845 3.6924 H 113 PHE113 0.0333 1756 HB2 9.4401 13.2835 3.2245 H 113 PHE113 0.0333 1757 CG 8.9503 13.5699 5.2533 C.ar 113 PHE113 -0.0454 1758 CD1 10.1196 14.1396 5.7495 C.ar 113 PHE113 -0.0585 1759 HD1 11.0672 13.9432 5.2715 H 113 PHE113 0.0620 1760 CD2 7.7448 13.8592 5.8824 C.ar 113 PHE113 -0.0585 1761 HD2 6.8269 13.4385 5.5053 H 113 PHE113 0.0620 1762 CE1 10.0833 14.9807 6.8532 C.ar 113 PHE113 -0.0615 1763 HE1 10.9962 15.4318 7.2136 H 113 PHE113 0.0618 1764 CE2 7.7037 14.7050 6.9816 C.ar 113 PHE113 -0.0615 1765 HE2 6.7558 14.9375 7.4434 H 113 PHE113 0.0618 1766 CZ 8.8740 15.2670 7.4704 C.ar 113 PHE113 -0.0617 1767 HZ 8.8405 15.9327 8.3204 H 113 PHE113 0.0618 1768 C 9.1150 10.4870 5.2660 C.2 113 PHE113 0.2188 1769 O 9.5840 10.4580 6.4070 O.2 113 PHE113 -0.2778 1770 N 8.0370 9.7820 4.8840 N.am 114 GLY114 -0.2485 1771 H 7.6940 9.9010 3.9310 H 114 GLY114 0.1309 1772 CA 7.3310 8.8540 5.7620 C.3 114 GLY114 0.0765 1773 HA1 6.5761 8.3423 5.1654 H 114 GLY114 0.0521 1774 HA2 6.8497 9.4314 6.5522 H 114 GLY114 0.0521 1775 C 8.3010 7.8540 6.3580 C.2 114 GLY114 0.2155 1776 O 8.2960 7.5930 7.5560 O.2 114 GLY114 -0.2781 1777 N 9.1900 7.3540 5.5150 N.am 115 GLN115 -0.2459 1778 H 9.1700 7.6570 4.5410 H 115 GLN115 0.1312 1779 CA 10.1870 6.3940 5.9270 C.3 115 GLN115 0.0882 1780 HA 9.6763 5.6207 6.5040 H 115 GLN115 0.0557 1781 CB 10.7992 5.7780 4.6619 C.3 115 GLN115 -0.0210 1782 HB1 11.6286 5.1197 4.9297 H 115 GLN115 0.0289 1783 HB2 11.2204 6.5697 4.0400 H 115 GLN115 0.0289 1784 CG 9.7640 4.9802 3.8559 C.3 115 GLN115 0.0225 1785 HG1 8.9070 5.5893 3.5742 H 115 GLN115 0.0356 1786 HG2 9.3807 4.1504 4.4491 H 115 GLN115 0.0356 1787 CD 10.4065 4.4035 2.5956 C.2 115 GLN115 0.1981 1788 OE1 11.0467 3.3645 2.6342 O.2 115 GLN115 -0.2798 1789 NE2 10.2005 5.1295 1.4871 N.am 115 GLN115 -0.2724 1790 HE21 10.5695 4.8182 0.6107 H 115 GLN115 0.1266 1791 HE22 9.6734 5.9784 1.5149 H 115 GLN115 0.1266 1792 C 11.2580 6.9660 6.7920 C.2 115 GLN115 0.2187 1793 O 11.7540 6.2770 7.6900 O.2 115 GLN115 -0.2778 1794 N 11.6540 8.2000 6.5310 N.am 116 VAL116 -0.2454 1795 H 11.2230 8.7300 5.7730 H 116 VAL116 0.1312 1796 CA 12.7040 8.7920 7.3310 C.3 116 VAL116 0.0901 1797 HA 13.5073 8.0611 7.4481 H 116 VAL116 0.0560 1798 CB 13.2375 10.0447 6.5981 C.3 116 VAL116 -0.0227 1799 HB 12.3790 10.6233 6.2524 H 116 VAL116 0.0315 1800 CG1 14.0782 10.9715 7.4905 C.3 116 VAL116 -0.0608 1801 HG11 14.4134 11.8485 6.9364 H 116 VAL116 0.0233 1802 HG12 14.9636 10.4638 7.8652 H 116 VAL116 0.0233 1803 HG13 13.5090 11.3277 8.3464 H 116 VAL116 0.0233 1804 CG2 14.0641 9.6359 5.3688 C.3 116 VAL116 -0.0608 1805 HG21 14.4058 10.5098 4.8132 H 116 VAL116 0.0233 1806 HG22 13.4969 9.0100 4.6848 H 116 VAL116 0.0233 1807 HG23 14.9414 9.0610 5.6641 H 116 VAL116 0.0233 1808 C 12.1350 9.0980 8.7320 C.2 116 VAL116 0.2189 1809 O 12.7910 8.8860 9.7440 O.2 116 VAL116 -0.2778 1810 N 10.9070 9.5770 8.7820 N.am 117 VAL117 -0.2454 1811 H 10.3870 9.7370 7.9200 H 117 VAL117 0.1312 1812 CA 10.2980 9.8750 10.0610 C.3 117 VAL117 0.0901 1813 HA 10.9898 10.5237 10.6021 H 117 VAL117 0.0560 1814 CB 8.9698 10.6367 9.8489 C.3 117 VAL117 -0.0227 1815 HB 8.3547 10.0538 9.1622 H 117 VAL117 0.0315 1816 CG1 8.1773 10.8332 11.1551 C.3 117 VAL117 -0.0608 1817 HG11 7.2705 11.4127 10.9784 H 117 VAL117 0.0233 1818 HG12 8.7678 11.3686 11.8986 H 117 VAL117 0.0233 1819 HG13 7.8722 9.8839 11.5949 H 117 VAL117 0.0233 1820 CG2 9.2139 12.0121 9.2070 C.3 117 VAL117 -0.0608 1821 HG21 8.2692 12.4983 8.9636 H 117 VAL117 0.0233 1822 HG22 9.7946 11.9483 8.2888 H 117 VAL117 0.0233 1823 HG23 9.7557 12.6675 9.8878 H 117 VAL117 0.0233 1824 C 10.1300 8.5950 10.9020 C.2 117 VAL117 0.2189 1825 O 10.4080 8.6060 12.0770 O.2 117 VAL117 -0.2778 1826 N 9.6920 7.4980 10.2850 N.am 118 ALA118 -0.2459 1827 H 9.4240 7.5500 9.3020 H 118 ALA118 0.1312 1828 CA 9.5870 6.2060 10.9990 C.3 118 ALA118 0.0850 1829 HA 8.9394 6.3694 11.8626 H 118 ALA118 0.0554 1830 CB 8.9538 5.1869 10.0464 C.3 118 ALA118 -0.0411 1831 HB1 8.8127 4.2211 10.5326 H 118 ALA118 0.0249 1832 HB2 9.5722 5.0352 9.1605 H 118 ALA118 0.0249 1833 HB3 7.9769 5.5338 9.7088 H 118 ALA118 0.0249 1834 C 10.9370 5.7040 11.4940 C.2 118 ALA118 0.2184 1835 O 11.0180 5.0890 12.5560 O.2 118 ALA118 -0.2778 1836 N 11.9990 5.9680 10.7450 N.am 119 ALA119 -0.2459 1837 H 11.8830 6.4620 9.8600 H 119 ALA119 0.1312 1838 CA 13.3180 5.5620 11.1720 C.3 119 ALA119 0.0850 1839 HA 13.2784 4.5063 11.4436 H 119 ALA119 0.0554 1840 CB 14.2878 5.7807 10.0047 C.3 119 ALA119 -0.0411 1841 HB1 15.2773 5.3819 10.2287 H 119 ALA119 0.0249 1842 HB2 14.3987 6.8381 9.7614 H 119 ALA119 0.0249 1843 HB3 13.9222 5.2892 9.1068 H 119 ALA119 0.0249 1844 C 13.7750 6.3760 12.3620 C.2 119 ALA119 0.2184 1845 O 14.3790 5.8500 13.2770 O.2 119 ALA119 -0.2778 1846 N 13.4860 7.6630 12.3580 N.am 120 ILE120 -0.2454 1847 H 13.0170 8.0750 11.5520 H 120 ILE120 0.1312 1848 CA 13.8310 8.4910 13.4900 C.3 120 ILE120 0.0903 1849 HA 14.8916 8.3411 13.6989 H 120 ILE120 0.0560 1850 CB 13.5789 9.9580 13.0994 C.3 120 ILE120 -0.0201 1851 HB 12.5742 10.0130 12.6758 H 120 ILE120 0.0318 1852 CG1 14.5901 10.3944 12.0201 C.3 120 ILE120 -0.0514 1853 HG11 14.6686 9.6354 11.2426 H 120 ILE120 0.0266 1854 HG12 15.5878 10.4832 12.4509 H 120 ILE120 0.0266 1855 CG2 13.6229 10.9183 14.2983 C.3 120 ILE120 -0.0605 1856 HG21 13.2898 11.9112 14.0009 H 120 ILE120 0.0233 1857 HG22 14.6291 10.9911 14.7108 H 120 ILE120 0.0233 1858 HG23 12.9616 10.6056 15.1028 H 120 ILE120 0.0233 1859 CD1 14.1972 11.7023 11.3428 C.3 120 ILE120 -0.0650 1860 HD11 14.8579 11.9248 10.5064 H 120 ILE120 0.0230 1861 HD12 14.2387 12.5457 12.0311 H 120 ILE120 0.0230 1862 HD13 13.1823 11.6187 10.9557 H 120 ILE120 0.0230 1863 C 13.0520 8.0530 14.7170 C.2 120 ILE120 0.2189 1864 O 13.5770 8.0500 15.8160 O.2 120 ILE120 -0.2778 1865 N 11.8070 7.6640 14.5170 N.am 121 GLN121 -0.2456 1866 H 11.4250 7.6990 13.5720 H 121 GLN121 0.1312 1867 CA 10.9590 7.1850 15.6050 C.3 121 GLN121 0.0882 1868 HA 10.9767 7.9404 16.3931 H 121 GLN121 0.0557 1869 CB 9.5463 7.0538 15.0130 C.3 121 GLN121 -0.0210 1870 HB1 9.5397 6.2562 14.2694 H 121 GLN121 0.0289 1871 HB2 9.3197 7.9692 14.4629 H 121 GLN121 0.0289 1872 CG 8.4255 6.8284 16.0374 C.3 121 GLN121 0.0225 1873 HG1 8.3389 7.6780 16.7171 H 121 GLN121 0.0356 1874 HG2 8.6157 5.9411 16.6397 H 121 GLN121 0.0356 1875 CD 7.1020 6.6267 15.2823 C.2 121 GLN121 0.1981 1876 OE1 6.9355 5.6721 14.5331 O.2 121 GLN121 -0.2798 1877 NE2 6.1845 7.5755 15.5113 N.am 121 GLN121 -0.2724 1878 HE21 5.3049 7.5563 15.0409 H 121 GLN121 0.1266 1879 HE22 6.3631 8.3168 16.1632 H 121 GLN121 0.1266 1880 C 11.5070 5.8730 16.1520 C.2 121 GLN121 0.2187 1881 O 11.6660 5.7340 17.3690 O.2 121 GLN121 -0.2778 1882 N 11.8080 4.9370 15.2450 N.am 122 HIS122 -0.2453 1883 H 11.5680 5.1090 14.2690 H 122 HIS122 0.1312 1884 CA 12.4690 3.6710 15.5930 C.3 122 HIS122 0.0932 1885 HA 11.7772 3.1224 16.2326 H 122 HIS122 0.0561 1886 ND1 13.4103 0.8096 15.6538 N.ar 122 HIS122 -0.2469 1887 CG 13.6983 1.7279 14.7019 C.ar 122 HIS122 0.0551 1888 CB 12.7792 2.8643 14.3269 C.3 122 HIS122 0.0146 1889 HB1 13.2708 3.4901 13.5820 H 122 HIS122 0.0348 1890 HB2 11.8660 2.4776 13.8754 H 122 HIS122 0.0348 1891 NE2 15.5786 0.6582 15.1626 N.ar 122 HIS122 -0.2539 1892 HE2 16.5091 0.3462 15.1541 H 122 HIS122 0.1339 1893 CD2 15.0659 1.6462 14.4026 C.ar 122 HIS122 0.0047 1894 HD2 15.6147 2.2860 13.7259 H 122 HIS122 0.0764 1895 CE1 14.5731 0.1936 15.9184 C.ar 122 HIS122 0.0737 1896 HE1 14.6969 -0.6156 16.6190 H 122 HIS122 0.0963 1897 C 13.7000 3.9670 16.3860 C.2 122 HIS122 0.2191 1898 O 13.8950 3.4010 17.4590 O.2 122 HIS122 -0.2778 1899 N 14.5260 4.8660 15.8700 N.am 123 CYS123 -0.2449 1900 H 14.2830 5.3430 15.0020 H 123 CYS123 0.1312 1901 CA 15.7740 5.1710 16.5390 C.3 123 CYS123 0.0965 1902 HA 16.3458 4.2423 16.5816 H 123 CYS123 0.0565 1903 CB 16.5654 6.2210 15.7456 C.3 123 CYS123 0.0147 1904 HB1 17.4160 6.5748 16.3282 H 123 CYS123 0.0394 1905 HB2 15.9406 7.0900 15.5406 H 123 CYS123 0.0394 1906 SG 17.2078 5.5826 14.1784 S.3 123 CYS123 -0.1762 1907 HG 17.7141 6.5830 13.4536 H 123 CYS123 0.1017 1908 C 15.5180 5.6230 17.9440 C.2 123 CYS123 0.2195 1909 O 16.0660 5.0570 18.8540 O.2 123 CYS123 -0.2778 1910 N 14.6750 6.6310 18.0910 N.am 124 HIS124 -0.2453 1911 H 14.2030 6.9880 17.2600 H 124 HIS124 0.1312 1912 CA 14.3800 7.2650 19.3800 C.3 124 HIS124 0.0932 1913 HA 15.3328 7.5835 19.8062 H 124 HIS124 0.0561 1914 ND1 14.0460 10.9340 19.2158 N.ar 124 HIS124 -0.2469 1915 CG 14.2321 9.6977 18.7030 C.ar 124 HIS124 0.0551 1916 CB 13.4548 8.4792 19.1705 C.3 124 HIS124 0.0146 1917 HB1 12.9573 8.7477 20.1038 H 124 HIS124 0.0348 1918 HB2 12.6676 8.2507 18.4508 H 124 HIS124 0.0348 1919 NE2 15.5929 11.0926 17.6207 N.ar 124 HIS124 -0.2539 1920 HE2 16.2464 11.4775 17.0020 H 124 HIS124 0.1339 1921 CD2 15.2188 9.7933 17.7044 C.ar 124 HIS124 0.0047 1922 HD2 15.5962 8.9820 17.1005 H 124 HIS124 0.0764 1923 CE1 14.8558 11.7561 18.5301 C.ar 124 HIS124 0.0737 1924 HE1 14.9042 12.8217 18.7054 H 124 HIS124 0.0963 1925 C 13.7730 6.2630 20.3340 C.2 124 HIS124 0.2191 1926 O 14.0240 6.3130 21.5070 O.2 124 HIS124 -0.2778 1927 N 12.9890 5.3460 19.7880 N.am 125 SER125 -0.2436 1928 H 12.7650 5.4310 18.7970 H 125 SER125 0.1312 1929 CA 12.4280 4.2190 20.5290 C.3 125 SER125 0.1109 1930 HA 11.9862 4.6239 21.4410 H 125 SER125 0.0580 1931 CB 11.3368 3.5830 19.6420 C.3 125 SER125 0.0681 1932 HB1 11.7674 3.3082 18.6793 H 125 SER125 0.0577 1933 HB2 10.5632 4.3227 19.4036 H 125 SER125 0.0577 1934 OG 10.7420 2.4087 20.1797 O.3 125 SER125 -0.3930 1935 HG 10.3143 2.6216 21.0066 H 125 SER125 0.2095 1936 C 13.4850 3.1860 20.9220 C.2 125 SER125 0.2209 1937 O 13.1470 2.1410 21.4740 O.2 125 SER125 -0.2777 1938 N 14.7530 3.4670 20.6280 N.am 126 ARG126 -0.2456 1939 H 14.9440 4.2870 20.0530 H 126 ARG126 0.1312 1940 CA 15.8790 2.6690 21.0820 C.3 126 ARG126 0.0879 1941 HA 15.5399 1.9652 21.8431 H 126 ARG126 0.0557 1942 CB 16.5283 1.9308 19.8901 C.3 126 ARG126 -0.0258 1943 HB1 17.3961 1.3607 20.2263 H 126 ARG126 0.0286 1944 HB2 16.9120 2.6622 19.1768 H 126 ARG126 0.0286 1945 CG 15.5872 0.9795 19.1403 C.3 126 ARG126 -0.0154 1946 HG1 16.1133 0.6015 18.2631 H 126 ARG126 0.0299 1947 HG2 14.7314 1.5326 18.7596 H 126 ARG126 0.0299 1948 CD 15.1187 -0.2161 19.9835 C.3 126 ARG126 0.1045 1949 HD1 14.6249 0.0861 20.9096 H 126 ARG126 0.0711 1950 HD2 15.9711 -0.8417 20.2602 H 126 ARG126 0.0711 1951 NE 14.2018 -1.0591 19.2133 N.pl3 126 ARG126 -0.4450 1952 HE 14.5505 -1.9192 18.8437 H 126 ARG126 0.3153 1953 CZ 12.9314 -0.7393 18.9684 C.cat 126 ARG126 0.5062 1954 NH1 12.4020 0.3510 19.4488 N.pl3 126 ARG126 -0.4573 1955 HH11 11.4593 0.6212 19.2609 H 126 ARG126 0.3114 1956 HH12 12.9488 0.9503 20.0307 H 126 ARG126 0.3114 1957 NH2 12.1985 -1.5297 18.2331 N.pl3 126 ARG126 -0.4573 1958 HH21 11.2507 -1.2854 18.0444 H 126 ARG126 0.3114 1959 HH22 12.5832 -2.3705 17.8618 H 126 ARG126 0.3114 1960 C 16.9010 3.5740 21.7390 C.2 126 ARG126 0.2185 1961 O 18.0600 3.2140 21.8170 O.2 126 ARG126 -0.2778 1962 N 16.4840 4.7520 22.2000 N.am 127 GLY127 -0.2485 1963 H 15.5210 5.0400 22.0280 H 127 GLY127 0.1309 1964 CA 17.3700 5.6420 22.9460 C.3 127 GLY127 0.0765 1965 HA1 17.7561 5.0914 23.8038 H 127 GLY127 0.0521 1966 HA2 16.7404 6.4490 23.3225 H 127 GLY127 0.0521 1967 C 18.5090 6.2490 22.1570 C.2 127 GLY127 0.2155 1968 O 19.4490 6.7830 22.7350 O.2 127 GLY127 -0.2781 1969 N 18.3910 6.2140 20.8280 N.am 128 VAL128 -0.2456 1970 H 17.5650 5.7710 20.4270 H 128 VAL128 0.1312 1971 CA 19.3870 6.7790 19.9170 C.3 128 VAL128 0.0901 1972 HA 20.2068 7.1832 20.5130 H 128 VAL128 0.0560 1973 CB 19.9537 5.6768 18.9956 C.3 128 VAL128 -0.0227 1974 HB 19.1177 5.1921 18.4885 H 128 VAL128 0.0315 1975 CG1 20.9005 6.2246 17.9082 C.3 128 VAL128 -0.0608 1976 HG11 21.3507 5.4157 17.3328 H 128 VAL128 0.0233 1977 HG12 21.7110 6.8110 18.3408 H 128 VAL128 0.0233 1978 HG13 20.3743 6.8591 17.1948 H 128 VAL128 0.0233 1979 CG2 20.6909 4.6175 19.8191 C.3 128 VAL128 -0.0608 1980 HG21 21.1850 3.9004 19.1679 H 128 VAL128 0.0233 1981 HG22 20.0078 4.0652 20.4612 H 128 VAL128 0.0233 1982 HG23 21.4604 5.0759 20.4383 H 128 VAL128 0.0233 1983 C 18.8360 7.9380 19.0820 C.2 128 VAL128 0.2189 1984 O 17.7740 7.8410 18.4650 O.2 128 VAL128 -0.2778 1985 N 19.6240 9.0050 19.0440 N.am 129 VAL129 -0.2454 1986 H 20.5250 8.9430 19.5190 H 129 VAL129 0.1312 1987 CA 19.3010 10.2530 18.3770 C.3 129 VAL129 0.0901 1988 HA 18.3358 10.1566 17.8751 H 129 VAL129 0.0560 1989 CB 19.2633 11.3884 19.4244 C.3 129 VAL129 -0.0227 1990 HB 20.2291 11.4052 19.9326 H 129 VAL129 0.0315 1991 CG1 19.0642 12.7773 18.7896 C.3 129 VAL129 -0.0608 1992 HG11 19.2106 13.5581 19.5336 H 129 VAL129 0.0233 1993 HG12 18.0633 12.8821 18.3696 H 129 VAL129 0.0233 1994 HG13 19.7791 12.9835 17.9946 H 129 VAL129 0.0233 1995 CG2 18.1905 11.1372 20.4951 C.3 129 VAL129 -0.0608 1996 HG21 18.1576 11.9549 21.2156 H 129 VAL129 0.0233 1997 HG22 18.3811 10.2204 21.0529 H 129 VAL129 0.0233 1998 HG23 17.2007 11.0514 20.0474 H 129 VAL129 0.0233 1999 C 20.3800 10.5620 17.3440 C.2 129 VAL129 0.2189 2000 O 21.5570 10.6140 17.6880 O.2 129 VAL129 -0.2778 2001 N 19.9630 10.8280 16.1020 N.am 130 HIS130 -0.2453 2002 H 18.9610 10.8980 15.9240 H 130 HIS130 0.1312 2003 CA 20.8930 11.0220 14.9870 C.3 130 HIS130 0.0932 2004 HA 21.6566 10.2450 15.0647 H 130 HIS130 0.0561 2005 ND1 20.6869 11.6543 11.4259 N.ar 130 HIS130 -0.2469 2006 CG 20.9231 10.8312 12.4656 C.ar 130 HIS130 0.0551 2007 CB 20.0669 10.8090 13.7082 C.3 130 HIS130 0.0146 2008 HB1 19.2888 11.5685 13.6193 H 130 HIS130 0.0348 2009 HB2 19.5599 9.8447 13.7466 H 130 HIS130 0.0348 2010 NE2 22.3838 10.3186 10.8813 N.ar 130 HIS130 -0.2539 2011 HE2 23.1216 9.9207 10.3681 H 130 HIS130 0.1339 2012 CD2 21.9940 9.9871 12.1307 C.ar 130 HIS130 0.0047 2013 HD2 22.4232 9.2099 12.7436 H 130 HIS130 0.0764 2014 CE1 21.5843 11.3208 10.4838 C.ar 130 HIS130 0.0737 2015 HE1 21.6569 11.8041 9.5211 H 130 HIS130 0.0963 2016 C 21.6070 12.3820 14.9740 C.2 130 HIS130 0.2190 2017 O 22.8140 12.4380 14.7320 O.2 130 HIS130 -0.2778 2018 N 20.8710 13.4710 15.1810 N.am 131 ARG131 -0.2456 2019 H 19.8650 13.3580 15.3070 H 131 ARG131 0.1312 2020 CA 21.4420 14.8510 15.2390 C.3 131 ARG131 0.0879 2021 HA 20.6002 15.4745 15.5400 H 131 ARG131 0.0557 2022 CB 22.5654 15.0094 16.2925 C.3 131 ARG131 -0.0258 2023 HB1 22.8643 16.0601 16.3196 H 131 ARG131 0.0286 2024 HB2 23.4568 14.4657 15.9761 H 131 ARG131 0.0286 2025 CG 22.2082 14.6128 17.7294 C.3 131 ARG131 -0.0154 2026 HG1 22.2492 13.5288 17.8355 H 131 ARG131 0.0299 2027 HG2 21.1804 14.9020 17.9474 H 131 ARG131 0.0299 2028 CD 23.1380 15.2934 18.7518 C.3 131 ARG131 0.1045 2029 HD1 22.9618 14.8927 19.7521 H 131 ARG131 0.0711 2030 HD2 22.9615 16.3719 18.7682 H 131 ARG131 0.0711 2031 NE 24.5435 15.0963 18.3924 N.pl3 131 ARG131 -0.4450 2032 HE 24.7896 14.7981 17.4679 H 131 ARG131 0.3153 2033 CZ 25.5803 15.2918 19.2017 C.cat 131 ARG131 0.5062 2034 NH1 25.4171 15.7756 20.4019 N.pl3 131 ARG131 -0.4573 2035 HH11 26.1898 15.8489 21.0287 H 131 ARG131 0.3114 2036 HH12 24.5088 16.0631 20.6814 H 131 ARG131 0.3114 2037 NH2 26.7804 14.9930 18.7915 N.pl3 131 ARG131 -0.4573 2038 HH21 27.5778 15.1067 19.3747 H 131 ARG131 0.3114 2039 HH22 26.8884 14.6523 17.8566 H 131 ARG131 0.3114 2040 C 21.9880 15.4810 13.9690 C.2 131 ARG131 0.2187 2041 O 22.3730 16.6480 13.9800 O.2 131 ARG131 -0.2778 2042 N 22.0150 14.7510 12.8740 N.am 132 ASP132 -0.2451 2043 H 21.6680 13.7920 12.8960 H 132 ASP132 0.1312 2044 CA 22.5450 15.3120 11.6120 C.3 132 ASP132 0.0974 2045 HA 22.4465 16.3994 11.6236 H 132 ASP132 0.0563 2046 CB 24.0293 14.9095 11.5731 C.3 132 ASP132 0.0576 2047 HB1 24.1277 13.8318 11.4393 H 132 ASP132 0.0394 2048 HB2 24.4679 15.1518 12.5394 H 132 ASP132 0.0394 2049 CG 24.8980 15.6201 10.5269 C.2 132 ASP132 0.1780 2050 OD1 24.5218 16.6680 10.0069 O.co2 132 ASP132 -0.6478 2051 OD2 25.9720 15.1112 10.2193 O.co2 132 ASP132 -0.6478 2052 C 21.7140 14.7910 10.4250 C.2 132 ASP132 0.2192 2053 O 22.2230 14.1820 9.4760 O.2 132 ASP132 -0.2778 2054 N 20.4140 15.0030 10.5400 N.am 133 ILE133 -0.2454 2055 H 20.0720 15.4580 11.3860 H 133 ILE133 0.1312 2056 CA 19.4600 14.6280 9.5390 C.3 133 ILE133 0.0903 2057 HA 19.7508 13.6569 9.1354 H 133 ILE133 0.0560 2058 CB 18.0186 14.5864 10.1016 C.3 133 ILE133 -0.0201 2059 HB 17.8807 15.4963 10.6828 H 133 ILE133 0.0318 2060 CG1 17.8039 13.3983 11.0611 C.3 133 ILE133 -0.0514 2061 HG11 16.8642 13.5402 11.5962 H 133 ILE133 0.0266 2062 HG12 18.5832 13.3967 11.8237 H 133 ILE133 0.0266 2063 CG2 16.9320 14.6079 9.0064 C.3 133 ILE133 -0.0605 2064 HG21 15.9363 14.4965 9.4372 H 133 ILE133 0.0233 2065 HG22 17.0768 13.8058 8.2823 H 133 ILE133 0.0233 2066 HG23 16.9349 15.5493 8.4550 H 133 ILE133 0.0233 2067 CD1 17.7649 12.0283 10.3635 C.3 133 ILE133 -0.0650 2068 HD11 17.6495 11.2257 11.0921 H 133 ILE133 0.0230 2069 HD12 18.6762 11.8324 9.8009 H 133 ILE133 0.0230 2070 HD13 16.9337 11.9558 9.6632 H 133 ILE133 0.0230 2071 C 19.6200 15.6810 8.4490 C.2 133 ILE133 0.2189 2072 O 19.4760 16.8650 8.7110 O.2 133 ILE133 -0.2778 2073 N 19.9910 15.2280 7.2520 N.am 134 LYS134 -0.2456 2074 H 20.2170 14.2380 7.1530 H 134 LYS134 0.1312 2075 CA 20.0870 16.0850 6.0790 C.3 134 LYS134 0.0878 2076 HA 19.2175 16.7375 6.0429 H 134 LYS134 0.0557 2077 CB 21.4236 16.8411 6.1619 C.3 134 LYS134 -0.0289 2078 HB1 21.4018 17.4982 7.0311 H 134 LYS134 0.0285 2079 HB2 21.5615 17.4870 5.2931 H 134 LYS134 0.0285 2080 CG 22.6083 15.8661 6.2753 C.3 134 LYS134 -0.0496 2081 HG1 22.7724 15.3695 5.3206 H 134 LYS134 0.0266 2082 HG2 22.3740 15.0689 6.9776 H 134 LYS134 0.0266 2083 CD 23.8972 16.5155 6.7590 C.3 134 LYS134 -0.0278 2084 HD1 23.6620 17.2318 7.5459 H 134 LYS134 0.0282 2085 HD2 24.3735 17.0705 5.9505 H 134 LYS134 0.0282 2086 CE 24.8274 15.4473 7.3331 C.3 134 LYS134 0.1103 2087 HE1 25.0952 14.6856 6.6111 H 134 LYS134 0.0559 2088 HE2 24.3181 14.9263 8.1389 H 134 LYS134 0.0559 2089 NZ 26.0574 15.9987 7.8586 N.4 134 LYS134 -0.0749 2090 HZ1 26.5511 15.2603 8.3981 H 134 LYS134 0.2742 2091 HZ2 25.8179 16.7159 8.5780 H 134 LYS134 0.2742 2092 HZ3 26.6417 16.3487 7.0678 H 134 LYS134 0.2742 2093 C 20.1090 15.2100 4.8490 C.2 134 LYS134 0.2187 2094 O 20.3000 14.0150 4.9440 O.2 134 LYS134 -0.2778 2095 N 19.9800 15.8320 3.6910 N.am 135 ASP135 -0.2451 2096 H 19.8830 16.8470 3.6730 H 135 ASP135 0.1312 2097 CA 19.9750 15.0780 2.4240 C.3 135 ASP135 0.0974 2098 HA 19.0186 14.5710 2.3189 H 135 ASP135 0.0563 2099 CB 20.1402 16.2428 1.4022 C.3 135 ASP135 0.0576 2100 HB1 19.2189 16.8270 1.3654 H 135 ASP135 0.0394 2101 HB2 20.3064 15.8739 0.3926 H 135 ASP135 0.0394 2102 CG 21.2997 17.2275 1.7940 C.2 135 ASP135 0.1780 2103 OD1 21.0799 18.1690 2.5568 O.co2 135 ASP135 -0.6478 2104 OD2 22.4254 17.0417 1.3473 O.co2 135 ASP135 -0.6478 2105 C 21.1450 14.0960 2.2540 C.2 135 ASP135 0.2192 2106 O 20.9260 12.9630 1.8330 O.2 135 ASP135 -0.2778 2107 N 22.3730 14.4880 2.5870 N.am 136 GLU136 -0.2456 2108 H 22.5420 15.4210 2.9640 H 136 GLU136 0.1312 2109 CA 23.4950 13.5250 2.3940 C.3 136 GLU136 0.0883 2110 HA 23.4132 13.1553 1.3705 H 136 GLU136 0.0557 2111 CB 24.8578 14.2539 2.5321 C.3 136 GLU136 -0.0193 2112 HB1 24.9504 15.0041 1.7459 H 136 GLU136 0.0290 2113 HB2 25.6568 13.5341 2.3506 H 136 GLU136 0.0290 2114 CG 25.0667 14.9420 3.8991 C.3 136 GLU136 0.0356 2115 HG1 24.6435 14.3016 4.6636 H 136 GLU136 0.0374 2116 HG2 24.5155 15.8817 3.9213 H 136 GLU136 0.0374 2117 CD 26.5346 15.2200 4.3274 C.2 136 GLU136 0.1760 2118 OE1 27.4571 14.6599 3.7388 O.co2 136 GLU136 -0.6478 2119 OE2 26.7451 15.9975 5.2677 O.co2 136 GLU136 -0.6478 2120 C 23.4530 12.3280 3.3100 C.2 136 GLU136 0.2187 2121 O 24.0710 11.3280 3.0000 O.2 136 GLU136 -0.2778 2122 N 22.7250 12.4170 4.4180 N.am 137 ASN137 -0.2452 2123 H 22.2290 13.2850 4.6190 H 137 ASN137 0.1312 2124 CA 22.6170 11.3030 5.3540 C.3 137 ASN137 0.0957 2125 HA 23.4469 10.6313 5.1504 H 137 ASN137 0.0562 2126 CB 22.7502 11.8105 6.8028 C.3 137 ASN137 0.0446 2127 HB1 22.4264 11.0524 7.5148 H 137 ASN137 0.0375 2128 HB2 22.1398 12.6986 6.9666 H 137 ASN137 0.0375 2129 CG 24.2111 12.1251 7.1449 C.2 137 ASN137 0.2000 2130 OD1 25.0794 12.1557 6.2864 O.2 137 ASN137 -0.2797 2131 ND2 24.4322 12.3475 8.4493 N.am 137 ASN137 -0.2723 2132 HD21 25.3647 12.5351 8.7591 H 137 ASN137 0.1266 2133 HD22 23.7004 12.3419 9.1287 H 137 ASN137 0.1266 2134 C 21.3440 10.4530 5.2030 C.2 137 ASN137 0.2191 2135 O 20.9900 9.6730 6.0960 O.2 137 ASN137 -0.2778 2136 N 20.6570 10.6270 4.0840 N.am 138 ILE138 -0.2454 2137 H 20.9230 11.3750 3.4440 H 138 ILE138 0.1312 2138 CA 19.5450 9.7810 3.7570 C.3 138 ILE138 0.0903 2139 HA 19.3703 9.0498 4.5477 H 138 ILE138 0.0560 2140 CB 18.2682 10.6308 3.5331 C.3 138 ILE138 -0.0201 2141 HB 18.4551 11.2870 2.6820 H 138 ILE138 0.0318 2142 CG1 17.9374 11.5748 4.7057 C.3 138 ILE138 -0.0514 2143 HG11 17.0717 12.1829 4.4406 H 138 ILE138 0.0266 2144 HG12 18.7509 12.2807 4.8425 H 138 ILE138 0.0266 2145 CG2 17.0516 9.7598 3.1706 C.3 138 ILE138 -0.0605 2146 HG21 16.1581 10.3703 3.0391 H 138 ILE138 0.0233 2147 HG22 16.8455 9.0250 3.9490 H 138 ILE138 0.0233 2148 HG23 17.2107 9.2171 2.2386 H 138 ILE138 0.0233 2149 CD1 17.6666 10.8748 6.0401 C.3 138 ILE138 -0.0650 2150 HD11 17.4437 11.6041 6.8194 H 138 ILE138 0.0230 2151 HD12 18.5281 10.2954 6.3687 H 138 ILE138 0.0230 2152 HD13 16.8144 10.2039 5.9650 H 138 ILE138 0.0230 2153 C 19.9070 9.0530 2.4880 C.2 138 ILE138 0.2189 2154 O 20.0310 9.6520 1.4380 O.2 138 ILE138 -0.2778 2155 N 20.0580 7.7480 2.5890 N.am 139 LEU139 -0.2456 2156 H 19.9370 7.3060 3.5000 H 139 LEU139 0.1312 2157 CA 20.3890 6.9240 1.4520 C.3 139 LEU139 0.0880 2158 HA 21.0094 7.4838 0.7718 H 139 LEU139 0.0557 2159 CB 21.1468 5.6748 1.9487 C.3 139 LEU139 -0.0266 2160 HB1 20.4572 5.0255 2.4904 H 139 LEU139 0.0287 2161 HB2 21.8842 5.9553 2.6934 H 139 LEU139 0.0287 2162 CG 21.8420 4.8707 0.8290 C.3 139 LEU139 -0.0449 2163 HG 21.1266 4.6992 0.0238 H 139 LEU139 0.0296 2164 CD1 23.0425 5.6248 0.2390 C.3 139 LEU139 -0.0626 2165 HD11 23.5139 5.0501 -0.5582 H 139 LEU139 0.0232 2166 HD12 23.7988 5.8244 0.9987 H 139 LEU139 0.0232 2167 HD13 22.7496 6.5814 -0.1891 H 139 LEU139 0.0232 2168 CD2 22.2837 3.4943 1.3396 C.3 139 LEU139 -0.0626 2169 HD21 22.7811 2.9275 0.5525 H 139 LEU139 0.0232 2170 HD22 21.4236 2.9137 1.6709 H 139 LEU139 0.0232 2171 HD23 22.9762 3.5849 2.1776 H 139 LEU139 0.0232 2172 C 19.1190 6.4390 0.7720 C.2 139 LEU139 0.2187 2173 O 18.1880 6.0160 1.4350 O.2 139 LEU139 -0.2778 2174 N 19.0540 6.5070 -0.5510 N.am 140 ILE140 -0.2454 2175 H 19.7840 6.9930 -1.0720 H 140 ILE140 0.1312 2176 CA 17.9250 5.8790 -1.2740 C.3 140 ILE140 0.0903 2177 HA 17.1144 5.6798 -0.5732 H 140 ILE140 0.0560 2178 CB 17.3987 6.8746 -2.3364 C.3 140 ILE140 -0.0201 2179 HB 18.1540 6.9576 -3.1207 H 140 ILE140 0.0318 2180 CG1 17.2009 8.3056 -1.7848 C.3 140 ILE140 -0.0514 2181 HG11 16.8424 8.9500 -2.5883 H 140 ILE140 0.0266 2182 HG12 18.1619 8.7298 -1.4895 H 140 ILE140 0.0266 2183 CG2 16.1096 6.3610 -3.0020 C.3 140 ILE140 -0.0605 2184 HG21 15.7340 7.0731 -3.7371 H 140 ILE140 0.0233 2185 HG22 15.3256 6.1921 -2.2644 H 140 ILE140 0.0233 2186 HG23 16.2758 5.4152 -3.5175 H 140 ILE140 0.0233 2187 CD1 16.2267 8.4000 -0.6015 C.3 140 ILE140 -0.0650 2188 HD11 16.1230 9.4333 -0.2700 H 140 ILE140 0.0230 2189 HD12 16.5722 7.8183 0.2523 H 140 ILE140 0.0230 2190 HD13 15.2351 8.0406 -0.8724 H 140 ILE140 0.0230 2191 C 18.3110 4.5710 -1.9220 C.2 140 ILE140 0.2189 2192 O 19.2370 4.5450 -2.7040 O.2 140 ILE140 -0.2778 2193 N 17.6120 3.4810 -1.5900 N.am 141 ASP141 -0.2451 2194 H 16.9990 3.5020 -0.7750 H 141 ASP141 0.1312 2195 CA 17.7200 2.2490 -2.3920 C.3 141 ASP141 0.0974 2196 HA 18.7550 2.1054 -2.7095 H 141 ASP141 0.0563 2197 CB 17.2392 1.0859 -1.5127 C.3 141 ASP141 0.0576 2198 HB1 16.2146 1.2559 -1.1837 H 141 ASP141 0.0394 2199 HB2 17.8489 1.0464 -0.6108 H 141 ASP141 0.0394 2200 CG 17.2931 -0.3052 -2.1698 C.2 141 ASP141 0.1780 2201 OD1 17.3987 -0.4435 -3.3862 O.co2 141 ASP141 -0.6478 2202 OD2 17.2280 -1.2885 -1.4460 O.co2 141 ASP141 -0.6478 2203 C 16.8120 2.4070 -3.5730 C.2 141 ASP141 0.2192 2204 O 15.6070 2.4940 -3.3940 O.2 141 ASP141 -0.2778 2205 N 17.3900 2.4120 -4.7690 N.am 142 LEU142 -0.2456 2206 H 18.3690 2.1370 -4.8500 H 142 LEU142 0.1312 2207 CA 16.6560 2.8030 -5.9740 C.3 142 LEU142 0.0880 2208 HA 15.9131 3.5490 -5.6883 H 142 LEU142 0.0557 2209 CB 17.6596 3.4168 -6.9639 C.3 142 LEU142 -0.0266 2210 HB1 17.1733 3.6276 -7.9172 H 142 LEU142 0.0287 2211 HB2 18.4278 2.6745 -7.1684 H 142 LEU142 0.0287 2212 CG 18.3504 4.6977 -6.4523 C.3 142 LEU142 -0.0449 2213 HG 18.7172 4.5293 -5.4387 H 142 LEU142 0.0296 2214 CD1 19.5720 5.0261 -7.3186 C.3 142 LEU142 -0.0626 2215 HD11 20.0385 5.9558 -6.9982 H 142 LEU142 0.0232 2216 HD12 19.2944 5.1429 -8.3662 H 142 LEU142 0.0232 2217 HD13 20.3232 4.2383 -7.2531 H 142 LEU142 0.0232 2218 CD2 17.3904 5.8956 -6.4124 C.3 142 LEU142 -0.0626 2219 HD21 17.8896 6.7803 -6.0146 H 142 LEU142 0.0232 2220 HD22 16.5262 5.6982 -5.7807 H 142 LEU142 0.0232 2221 HD23 17.0243 6.1412 -7.4092 H 142 LEU142 0.0232 2222 C 15.9070 1.6370 -6.5860 C.2 142 LEU142 0.2187 2223 O 14.9870 1.8430 -7.3680 O.2 142 LEU142 -0.2778 2224 N 16.3120 0.4140 -6.2530 N.am 143 ARG143 -0.2457 2225 H 17.1620 0.2960 -5.7010 H 143 ARG143 0.1312 2226 CA 15.5610 -0.7480 -6.6650 C.3 143 ARG143 0.0879 2227 HA 15.3010 -0.5625 -7.7073 H 143 ARG143 0.0557 2228 CB 16.3073 -2.0872 -6.5723 C.3 143 ARG143 -0.0258 2229 HB1 16.7015 -2.2269 -5.5660 H 143 ARG143 0.0286 2230 HB2 17.1627 -2.0592 -7.2403 H 143 ARG143 0.0286 2231 CG 15.4233 -3.2887 -6.9795 C.3 143 ARG143 -0.0154 2232 HG1 14.6891 -3.4802 -6.1962 H 143 ARG143 0.0299 2233 HG2 16.0408 -4.1851 -7.0406 H 143 ARG143 0.0299 2234 CD 14.6886 -3.0622 -8.3156 C.3 143 ARG143 0.1045 2235 HD1 15.3988 -2.8996 -9.1304 H 143 ARG143 0.0711 2236 HD2 14.0505 -2.1815 -8.2421 H 143 ARG143 0.0711 2237 NE 13.8502 -4.2122 -8.6729 N.pl3 143 ARG143 -0.4450 2238 HE 14.1342 -5.1243 -8.3853 H 143 ARG143 0.3153 2239 CZ 12.7173 -4.1212 -9.3756 C.cat 143 ARG143 0.5062 2240 NH1 12.2440 -2.9685 -9.7744 N.pl3 143 ARG143 -0.4573 2241 HH11 11.4064 -2.9169 -10.3130 H 143 ARG143 0.3114 2242 HH12 12.7240 -2.1271 -9.5338 H 143 ARG143 0.3114 2243 NH2 12.0592 -5.2092 -9.6770 N.pl3 143 ARG143 -0.4573 2244 HH21 11.2103 -5.1495 -10.1981 H 143 ARG143 0.3114 2245 HH22 12.3983 -6.1017 -9.3907 H 143 ARG143 0.3114 2246 C 14.2610 -0.7760 -5.8500 C.2 143 ARG143 0.2187 2247 O 13.1920 -0.6690 -6.4090 O.2 143 ARG143 -0.2778 2248 N 14.3470 -0.8600 -4.5250 N.am 144 ARG144 -0.2457 2249 H 15.2610 -0.8270 -4.0740 H 144 ARG144 0.1312 2250 CA 13.1360 -1.0000 -3.7090 C.3 144 ARG144 0.0879 2251 HA 12.4060 -1.5404 -4.3139 H 144 ARG144 0.0557 2252 CB 13.3871 -1.8770 -2.4657 C.3 144 ARG144 -0.0258 2253 HB1 12.4303 -2.0514 -1.9711 H 144 ARG144 0.0286 2254 HB2 13.9962 -1.3325 -1.7409 H 144 ARG144 0.0286 2255 CG 14.0318 -3.2476 -2.7874 C.3 144 ARG144 -0.0154 2256 HG1 13.7817 -3.5591 -3.8016 H 144 ARG144 0.0299 2257 HG2 13.6340 -4.0112 -2.1187 H 144 ARG144 0.0299 2258 CD 15.5452 -3.1699 -2.5986 C.3 144 ARG144 0.1045 2259 HD1 15.7710 -3.0776 -1.5349 H 144 ARG144 0.0711 2260 HD2 15.8764 -2.2839 -3.1269 H 144 ARG144 0.0711 2261 NE 16.3072 -4.3157 -3.1049 N.pl3 144 ARG144 -0.4450 2262 HE 15.8800 -5.2120 -3.1457 H 144 ARG144 0.3153 2263 CZ 17.5835 -4.1691 -3.4883 C.cat 144 ARG144 0.5062 2264 NH1 18.2058 -3.0262 -3.4365 N.pl3 144 ARG144 -0.4573 2265 HH11 19.1133 -2.8781 -3.8089 H 144 ARG144 0.3114 2266 HH12 17.7542 -2.2270 -3.0001 H 144 ARG144 0.3114 2267 NH2 18.2467 -5.1984 -3.9378 N.pl3 144 ARG144 -0.4573 2268 HH21 19.1828 -5.0542 -4.2492 H 144 ARG144 0.3114 2269 HH22 17.8303 -6.1004 -3.9605 H 144 ARG144 0.3114 2270 C 12.4560 0.3200 -3.3550 C.2 144 ARG144 0.2185 2271 O 11.3370 0.3280 -2.8500 O.2 144 ARG144 -0.2778 2272 N 13.1130 1.4410 -3.6170 N.am 145 GLY145 -0.2485 2273 H 14.0600 1.3880 -3.9930 H 145 GLY145 0.1309 2274 CA 12.5110 2.7480 -3.3790 C.3 145 GLY145 0.0765 2275 HA1 11.5347 2.7701 -3.8647 H 145 GLY145 0.0521 2276 HA2 13.1523 3.4799 -3.8690 H 145 GLY145 0.0521 2277 C 12.3640 3.1290 -1.9190 C.2 145 GLY145 0.2156 2278 O 11.4060 3.7720 -1.5630 O.2 145 GLY145 -0.2781 2279 N 13.2920 2.7420 -1.0540 N.am 146 CYS146 -0.2451 2280 H 14.0700 2.1610 -1.3670 H 146 CYS146 0.1312 2281 CA 13.2000 3.1470 0.3440 C.3 146 CYS146 0.0965 2282 HA 12.2940 3.7248 0.5145 H 146 CYS146 0.0565 2283 CB 13.1396 1.8563 1.1761 C.3 146 CYS146 0.0147 2284 HB1 12.2450 1.2993 0.8962 H 146 CYS146 0.0394 2285 HB2 13.0402 2.0816 2.2376 H 146 CYS146 0.0394 2286 SG 14.5766 0.7700 0.9675 S.3 146 CYS146 -0.1762 2287 HG 14.2919 -0.4440 1.4419 H 146 CYS146 0.1017 2288 C 14.3810 4.0030 0.8490 C.2 146 CYS146 0.2195 2289 O 15.4510 4.0610 0.2660 O.2 146 CYS146 -0.2778 2290 N 14.1340 4.6930 1.9480 N.am 147 ALA147 -0.2459 2291 H 13.2700 4.5150 2.4590 H 147 ALA147 0.1312 2292 CA 15.0420 5.6840 2.4450 C.3 147 ALA147 0.0850 2293 HA 15.8379 5.8638 1.7224 H 147 ALA147 0.0554 2294 CB 14.2797 6.9901 2.7022 C.3 147 ALA147 -0.0411 2295 HB1 14.9376 7.7563 3.1125 H 147 ALA147 0.0249 2296 HB2 13.4564 6.8450 3.4022 H 147 ALA147 0.0249 2297 HB3 13.8627 7.3841 1.7765 H 147 ALA147 0.0249 2298 C 15.6200 5.1510 3.7220 C.2 147 ALA147 0.2184 2299 O 14.8860 4.7080 4.5660 O.2 147 ALA147 -0.2778 2300 N 16.9420 5.1830 3.8410 N.am 148 LYS148 -0.2457 2301 H 17.4930 5.5830 3.0820 H 148 LYS148 0.1312 2302 CA 17.6310 4.6720 5.0060 C.3 148 LYS148 0.0878 2303 HA 16.8798 4.3939 5.7342 H 148 LYS148 0.0557 2304 CB 18.4829 3.4388 4.6901 C.3 148 LYS148 -0.0289 2305 HB1 19.0755 3.2068 5.5756 H 148 LYS148 0.0285 2306 HB2 19.1870 3.6495 3.8844 H 148 LYS148 0.0285 2307 CG 17.6354 2.2038 4.3566 C.3 148 LYS148 -0.0496 2308 HG1 17.1326 2.3417 3.3982 H 148 LYS148 0.0266 2309 HG2 16.8501 2.0968 5.1061 H 148 LYS148 0.0266 2310 CD 18.4806 0.9246 4.3381 C.3 148 LYS148 -0.0278 2311 HD1 19.0295 0.8492 5.2782 H 148 LYS148 0.0282 2312 HD2 19.2242 0.9913 3.5439 H 148 LYS148 0.0282 2313 CE 17.6423 -0.3424 4.1494 C.3 148 LYS148 0.1103 2314 HE1 17.1841 -0.3551 3.1584 H 148 LYS148 0.0559 2315 HE2 16.8394 -0.3813 4.8866 H 148 LYS148 0.0559 2316 NZ 18.4437 -1.5512 4.3027 N.4 148 LYS148 -0.0749 2317 HZ1 17.8952 -2.4166 4.1661 H 148 LYS148 0.2742 2318 HZ2 18.9065 -1.5947 5.2362 H 148 LYS148 0.2742 2319 HZ3 19.2453 -1.5728 3.6359 H 148 LYS148 0.2742 2320 C 18.4620 5.7900 5.6030 C.2 148 LYS148 0.2187 2321 O 19.0810 6.5430 4.8750 O.2 148 LYS148 -0.2778 2322 N 18.4520 5.9090 6.9230 N.am 149 LEU149 -0.2456 2323 H 17.7700 5.3790 7.4650 H 149 LEU149 0.1312 2324 CA 19.3840 6.7710 7.6120 C.3 149 LEU149 0.0880 2325 HA 19.3833 7.7404 7.1085 H 149 LEU149 0.0557 2326 CB 18.9789 6.9238 9.0955 C.3 149 LEU149 -0.0266 2327 HB1 19.6877 7.5935 9.5865 H 149 LEU149 0.0287 2328 HB2 19.0799 5.9603 9.5986 H 149 LEU149 0.0287 2329 CG 17.5540 7.4479 9.3512 C.3 149 LEU149 -0.0449 2330 HG 16.8419 6.7116 8.9807 H 149 LEU149 0.0296 2331 CD1 17.2988 7.6209 10.8561 C.3 149 LEU149 -0.0626 2332 HD11 16.2718 7.9319 11.0472 H 149 LEU149 0.0232 2333 HD12 17.9610 8.3748 11.2832 H 149 LEU149 0.0232 2334 HD13 17.4620 6.6910 11.3979 H 149 LEU149 0.0232 2335 CD2 17.2826 8.7629 8.6186 C.3 149 LEU149 -0.0626 2336 HD21 16.3144 9.1661 8.9105 H 149 LEU149 0.0232 2337 HD22 17.2654 8.6079 7.5408 H 149 LEU149 0.0232 2338 HD23 18.0411 9.5122 8.8467 H 149 LEU149 0.0232 2339 C 20.7820 6.1800 7.5750 C.2 149 LEU149 0.2187 2340 O 20.9790 4.9910 7.8110 O.2 149 LEU149 -0.2778 2341 N 21.7470 7.0350 7.2690 N.am 150 ILE150 -0.2454 2342 H 21.4910 7.9760 6.9710 H 150 ILE150 0.1312 2343 CA 23.1610 6.6830 7.3420 C.3 150 ILE150 0.0903 2344 HA 23.2673 5.7208 7.8471 H 150 ILE150 0.0560 2345 CB 23.7458 6.6011 5.9256 C.3 150 ILE150 -0.0201 2346 HB 24.8325 6.5748 5.9995 H 150 ILE150 0.0318 2347 CG1 23.3674 7.8302 5.1101 C.3 150 ILE150 -0.0514 2348 HG11 23.7146 8.6943 5.6693 H 150 ILE150 0.0266 2349 HG12 22.2882 7.9130 4.9960 H 150 ILE150 0.0266 2350 CG2 23.3047 5.3126 5.2406 C.3 150 ILE150 -0.0605 2351 HG21 23.7463 5.2045 4.2499 H 150 ILE150 0.0233 2352 HG22 22.2206 5.2579 5.1359 H 150 ILE150 0.0233 2353 HG23 23.6392 4.4743 5.8484 H 150 ILE150 0.0233 2354 CD1 23.9762 7.8574 3.7225 C.3 150 ILE150 -0.0650 2355 HD11 23.9600 8.8840 3.3667 H 150 ILE150 0.0230 2356 HD12 23.4112 7.2570 3.0189 H 150 ILE150 0.0230 2357 HD13 24.9945 7.4793 3.7059 H 150 ILE150 0.0230 2358 C 23.8930 7.7110 8.2190 C.2 150 ILE150 0.2189 2359 O 23.3700 8.7950 8.5110 O.2 150 ILE150 -0.2778 2360 N 25.1050 7.3610 8.6050 N.am 151 ASP151 -0.2451 2361 H 25.4280 6.4240 8.3630 H 151 ASP151 0.1312 2362 CA 26.0280 8.2330 9.3640 C.3 151 ASP151 0.0974 2363 HA 26.8851 7.5804 9.5265 H 151 ASP151 0.0563 2364 CB 26.5163 9.4637 8.5615 C.3 151 ASP151 0.0576 2365 HB1 26.8146 10.2842 9.2140 H 151 ASP151 0.0394 2366 HB2 25.7241 9.8498 7.9224 H 151 ASP151 0.0394 2367 CG 27.7565 9.1468 7.7054 C.2 151 ASP151 0.1780 2368 OD1 28.7225 8.5747 8.2165 O.co2 151 ASP151 -0.6478 2369 OD2 27.7558 9.4717 6.5252 O.co2 151 ASP151 -0.6478 2370 C 25.6000 8.6170 10.7620 C.2 151 ASP151 0.2192 2371 O 25.1720 9.7380 11.0150 O.2 151 ASP151 -0.2778 2372 N 25.8160 7.6860 11.6780 N.am 152 PHE152 -0.2453 2373 H 26.2110 6.7910 11.3910 H 152 PHE152 0.1312 2374 CA 25.5070 7.9030 13.0750 C.3 152 PHE152 0.0917 2375 HA 24.7718 8.7060 13.1498 H 152 PHE152 0.0560 2376 CB 24.8842 6.6142 13.6583 C.3 152 PHE152 -0.0036 2377 HB1 24.9750 6.5914 14.7451 H 152 PHE152 0.0333 2378 HB2 25.4100 5.7328 13.2932 H 152 PHE152 0.0333 2379 CG 23.4246 6.4711 13.3020 C.ar 152 PHE152 -0.0454 2380 CD1 23.0392 6.1570 12.0012 C.ar 152 PHE152 -0.0585 2381 HD1 23.7865 6.0043 11.2355 H 152 PHE152 0.0620 2382 CD2 22.4381 6.6515 14.2694 C.ar 152 PHE152 -0.0585 2383 HD2 22.7183 6.8910 15.2847 H 152 PHE152 0.0620 2384 CE1 21.6968 6.0462 11.6667 C.ar 152 PHE152 -0.0615 2385 HE1 21.4170 5.8134 10.6492 H 152 PHE152 0.0618 2386 CE2 21.0932 6.5248 13.9414 C.ar 152 PHE152 -0.0615 2387 HE2 20.3354 6.6584 14.6990 H 152 PHE152 0.0618 2388 CZ 20.7215 6.2253 12.6376 C.ar 152 PHE152 -0.0617 2389 HZ 19.6786 6.1233 12.3763 H 152 PHE152 0.0618 2390 C 26.6990 8.3680 13.8790 C.2 152 PHE152 0.2188 2391 O 26.6050 8.5080 15.1020 O.2 152 PHE152 -0.2778 2392 N 27.8100 8.6430 13.1980 N.am 153 GLY153 -0.2485 2393 H 27.8270 8.4840 12.1910 H 153 GLY153 0.1309 2394 CA 28.9940 9.1620 13.8490 C.3 153 GLY153 0.0765 2395 HA1 29.8102 9.0671 13.1329 H 153 GLY153 0.0521 2396 HA2 29.2259 8.5082 14.6781 H 153 GLY153 0.0521 2397 C 28.9000 10.6120 14.2930 C.2 153 GLY153 0.2156 2398 O 29.9180 11.2380 14.5180 O.2 153 GLY153 -0.2781 2399 N 27.7160 11.1920 14.3900 N.am 154 SER154 -0.2439 2400 H 26.8910 10.7630 13.9710 H 154 SER154 0.1312 2401 CA 27.6140 12.4600 15.1090 C.3 154 SER154 0.1109 2402 HA 28.4675 12.5653 15.7817 H 154 SER154 0.0580 2403 CB 27.6390 13.5916 14.0666 C.3 154 SER154 0.0681 2404 HB1 28.5819 13.5240 13.5082 H 154 SER154 0.0577 2405 HB2 27.6199 14.5722 14.5517 H 154 SER154 0.0577 2406 OG 26.5181 13.4738 13.1986 O.3 154 SER154 -0.3930 2407 HG 26.6453 13.9860 12.3961 H 154 SER154 0.2095 2408 C 26.3640 12.5590 16.0100 C.2 154 SER154 0.2207 2409 O 26.0450 13.6380 16.5220 O.2 154 SER154 -0.2777 2410 N 25.7090 11.4170 16.2490 N.am 155 GLY155 -0.2484 2411 H 26.0510 10.5570 15.8210 H 155 GLY155 0.1309 2412 CA 24.5230 11.3560 17.0990 C.3 155 GLY155 0.0765 2413 HA1 23.8328 10.6791 16.5972 H 155 GLY155 0.0521 2414 HA2 24.0566 12.3389 17.1529 H 155 GLY155 0.0521 2415 C 24.8170 10.8190 18.4950 C.2 155 GLY155 0.2155 2416 O 25.8160 10.1430 18.6830 O.2 155 GLY155 -0.2781 2417 N 23.9070 11.1230 19.4450 N.am 156 ALA156 -0.2462 2418 H 23.0900 11.6520 19.1390 H 156 ALA156 0.1311 2419 CA 23.9640 10.7820 20.8440 C.3 156 ALA156 0.0850 2420 HA 22.9514 10.4887 21.1189 H 156 ALA156 0.0554 2421 CB 24.9711 9.6804 21.2266 C.3 156 ALA156 -0.0411 2422 HB1 24.8647 9.3955 22.2734 H 156 ALA156 0.0249 2423 HB2 26.0055 10.0001 21.0875 H 156 ALA156 0.0249 2424 HB3 24.8112 8.7864 20.6264 H 156 ALA156 0.0249 2425 C 24.2880 12.0750 21.5180 C.2 156 ALA156 0.2184 2426 O 24.4920 13.0780 20.8370 O.2 156 ALA156 -0.2778 2427 N 24.2840 12.1280 22.8730 N.am 157 LEU157 -0.2457 2428 H 24.0350 11.3090 23.4280 H 157 LEU157 0.1312 2429 CA 24.6410 13.3730 23.5110 C.3 157 LEU157 0.0880 2430 HA 24.0786 14.1742 23.0298 H 157 LEU157 0.0557 2431 CB 24.2753 13.3094 25.0055 C.3 157 LEU157 -0.0266 2432 HB1 24.5532 14.2476 25.4889 H 157 LEU157 0.0287 2433 HB2 24.8710 12.5344 25.4911 H 157 LEU157 0.0287 2434 CG 22.7852 13.0284 25.2810 C.3 157 LEU157 -0.0449 2435 HG 22.5172 12.0738 24.8274 H 157 LEU157 0.0296 2436 CD1 22.5378 12.8942 26.7890 C.3 157 LEU157 -0.0626 2437 HD11 21.4944 12.6557 26.9974 H 157 LEU157 0.0232 2438 HD12 22.7771 13.8208 27.3118 H 157 LEU157 0.0232 2439 HD13 23.1498 12.1016 27.2203 H 157 LEU157 0.0232 2440 CD2 21.8698 14.1076 24.6845 C.3 157 LEU157 -0.0626 2441 HD21 20.8271 13.9189 24.9416 H 157 LEU157 0.0232 2442 HD22 21.9320 14.1338 23.5971 H 157 LEU157 0.0232 2443 HD23 22.1293 15.0969 25.0625 H 157 LEU157 0.0232 2444 C 26.1090 13.6740 23.3380 C.2 157 LEU157 0.2187 2445 O 26.4470 14.7300 22.8100 O.2 157 LEU157 -0.2778 2446 N 27.0140 12.7530 23.7320 N.am 158 LEU158 -0.2456 2447 H 26.7130 11.9180 24.2340 H 158 LEU158 0.1312 2448 CA 28.4040 12.9600 23.4380 C.3 158 LEU158 0.0880 2449 HA 28.5702 13.8716 22.8645 H 158 LEU158 0.0557 2450 CB 29.2287 12.9696 24.7354 C.3 158 LEU158 -0.0266 2451 HB1 30.2928 13.0072 24.4939 H 158 LEU158 0.0287 2452 HB2 29.0764 12.0271 25.2645 H 158 LEU158 0.0287 2453 CG 28.8848 14.1369 25.6797 C.3 158 LEU158 -0.0449 2454 HG 27.8173 14.1051 25.8999 H 158 LEU158 0.0296 2455 CD1 29.6279 13.9819 27.0125 C.3 158 LEU158 -0.0626 2456 HD11 29.3677 14.7826 27.7050 H 158 LEU158 0.0232 2457 HD12 30.7082 14.0053 26.8652 H 158 LEU158 0.0232 2458 HD13 29.3795 13.0352 27.4931 H 158 LEU158 0.0232 2459 CD2 29.2011 15.5010 25.0492 C.3 158 LEU158 -0.0626 2460 HD21 28.9847 16.3110 25.7460 H 158 LEU158 0.0232 2461 HD22 28.6088 15.6800 24.1527 H 158 LEU158 0.0232 2462 HD23 30.2545 15.5717 24.7764 H 158 LEU158 0.0232 2463 C 28.7710 11.8050 22.5800 C.2 158 LEU158 0.2187 2464 O 28.3160 10.6840 22.7990 O.2 158 LEU158 -0.2778 2465 N 29.5810 12.0460 21.5450 N.am 159 HIS159 -0.2453 2466 H 29.9410 12.9830 21.3640 H 159 HIS159 0.1312 2467 CA 29.9260 10.9480 20.7000 C.3 159 HIS159 0.0932 2468 HA 29.5607 9.9967 21.0847 H 159 HIS159 0.0561 2469 ND1 30.0561 9.6629 17.5055 N.ar 159 HIS159 -0.2469 2470 CG 29.2299 9.9780 18.5105 C.ar 159 HIS159 0.0551 2471 CB 29.3361 11.2458 19.3135 C.3 159 HIS159 0.0146 2472 HB1 29.9251 11.9876 18.7722 H 159 HIS159 0.0348 2473 HB2 28.3278 11.6470 19.4142 H 159 HIS159 0.0348 2474 NE2 28.6427 7.9616 17.7897 N.ar 159 HIS159 -0.2539 2475 HE2 28.2288 7.0812 17.6794 H 159 HIS159 0.1339 2476 CD2 28.3458 8.9080 18.7030 C.ar 159 HIS159 0.0047 2477 HD2 27.5981 8.8381 19.4747 H 159 HIS159 0.0764 2478 CE1 29.7280 8.4126 17.1409 C.ar 159 HIS159 0.0737 2479 HE1 30.2870 7.8369 16.4157 H 159 HIS159 0.0963 2480 C 31.4160 10.8740 20.7190 C.2 159 HIS159 0.2191 2481 O 32.0800 11.8620 21.0320 O.2 159 HIS159 -0.2778 2482 N 31.9710 9.6690 20.4490 N.am 160 ASP160 -0.2451 2483 H 31.3420 8.8830 20.2810 H 160 ASP160 0.1312 2484 CA 33.3870 9.4200 20.3820 C.3 160 ASP160 0.0974 2485 HA 33.9329 10.3341 20.6233 H 160 ASP160 0.0563 2486 CB 33.8137 8.2715 21.3236 C.3 160 ASP160 0.0576 2487 HB1 34.8463 7.9864 21.1256 H 160 ASP160 0.0394 2488 HB2 33.2128 7.3806 21.1517 H 160 ASP160 0.0394 2489 CG 33.7521 8.6317 22.8159 C.2 160 ASP160 0.1780 2490 OD1 34.1628 9.7318 23.1783 O.co2 160 ASP160 -0.6478 2491 OD2 33.3023 7.8024 23.6066 O.co2 160 ASP160 -0.6478 2492 C 33.6950 9.0050 18.9670 C.2 160 ASP160 0.2192 2493 O 33.2370 7.9580 18.4920 O.2 160 ASP160 -0.2778 2494 N 34.4760 9.8580 18.2660 N.am 161 GLU161 -0.2456 2495 H 34.7800 10.6920 18.7690 H 161 GLU161 0.1312 2496 CA 34.9380 9.7500 16.9040 C.3 161 GLU161 0.0885 2497 HA 35.2028 8.7104 16.7063 H 161 GLU161 0.0557 2498 CB 33.8114 10.2829 15.9806 C.3 161 GLU161 -0.0192 2499 HB1 34.1641 10.5889 15.0043 H 161 GLU161 0.0290 2500 HB2 33.4006 11.1931 16.4184 H 161 GLU161 0.0290 2501 CG 32.6627 9.2926 15.7430 C.3 161 GLU161 0.0356 2502 HG1 31.8740 9.7658 15.1622 H 161 GLU161 0.0374 2503 HG2 32.2352 9.0226 16.6956 H 161 GLU161 0.0374 2504 CD 33.0425 7.9894 15.0219 C.2 161 GLU161 0.1760 2505 OE1 34.1220 7.9105 14.4375 O.co2 161 GLU161 -0.6478 2506 OE2 32.2408 7.0556 15.0549 O.co2 161 GLU161 -0.6478 2507 C 36.1660 10.6160 16.8750 C.2 161 GLU161 0.2214 2508 O 36.6230 11.0290 17.9400 O.2 161 GLU161 -0.2776 2509 N 36.7570 10.8230 15.7150 N.am 162 PRO162 -0.2316 2510 CA 37.7990 11.8240 15.6190 C.3 162 PRO162 0.0907 2511 HA 38.4865 11.7041 16.4578 H 162 PRO162 0.0559 2512 CD 36.5577 10.0630 14.4833 C.3 162 PRO162 0.0071 2513 HD1 35.8270 10.5780 13.8610 H 162 PRO162 0.0431 2514 HD2 36.2540 9.0388 14.6970 H 162 PRO162 0.0431 2515 CB 38.4758 11.5086 14.2706 C.3 162 PRO162 -0.0276 2516 HB1 39.5630 11.5181 14.3450 H 162 PRO162 0.0285 2517 HB2 38.1953 12.2346 13.5056 H 162 PRO162 0.0285 2518 CG 37.9425 10.1389 13.8500 C.3 162 PRO162 -0.0379 2519 HG1 37.9147 10.0075 12.7690 H 162 PRO162 0.0278 2520 HG2 38.5733 9.3529 14.2664 H 162 PRO162 0.0278 2521 C 37.1790 13.1950 15.6140 C.2 162 PRO162 0.2189 2522 O 35.9590 13.2830 15.4570 O.2 162 PRO162 -0.2778 2523 N 37.9830 14.2740 15.7930 N.am 163 TYR163 -0.2453 2524 H 38.9930 14.1440 15.8530 H 163 TYR163 0.1312 2525 CA 37.4300 15.6010 15.9000 C.3 163 TYR163 0.0917 2526 HA 36.7198 15.5207 16.7266 H 163 TYR163 0.0560 2527 CB 38.4595 16.6521 16.3480 C.3 163 TYR163 -0.0036 2528 HB1 38.7150 16.4620 17.3910 H 163 TYR163 0.0333 2529 HB2 38.0060 17.6448 16.3402 H 163 TYR163 0.0333 2530 CG 39.7451 16.6891 15.5640 C.ar 163 TYR163 -0.0453 2531 CD1 39.9034 17.5840 14.5102 C.ar 163 TYR163 -0.0561 2532 HD1 39.0671 18.1867 14.1838 H 163 TYR163 0.0621 2533 CD2 40.8371 15.9275 15.9724 C.ar 163 TYR163 -0.0561 2534 HD2 40.7327 15.2359 16.7956 H 163 TYR163 0.0621 2535 CE1 41.1433 17.7468 13.9047 C.ar 163 TYR163 -0.0317 2536 HE1 41.2659 18.4599 13.1032 H 163 TYR163 0.0643 2537 CE2 42.0755 16.0837 15.3639 C.ar 163 TYR163 -0.0317 2538 HE2 42.9222 15.5011 15.6947 H 163 TYR163 0.0643 2539 CZ 42.2347 17.0142 14.3485 C.ar 163 TYR163 0.0726 2540 OH 43.4752 17.2015 13.7738 O.3 163 TYR163 -0.3598 2541 HH 44.1199 16.6866 14.2397 H 163 TYR163 0.2173 2542 C 36.6270 15.9870 14.6940 C.2 163 TYR163 0.2191 2543 O 37.0890 16.0040 13.5520 O.2 163 TYR163 -0.2778 2544 N 35.3420 16.2610 14.9750 N.am 164 THR164 -0.2434 2545 H 35.0480 16.1900 15.9490 H 164 THR164 0.1313 2546 CA 34.3600 16.6430 14.0180 C.3 164 THR164 0.1135 2547 HA 34.8407 17.2175 13.2241 H 164 THR164 0.0583 2548 CB 33.6556 15.3828 13.4664 C.3 164 THR164 0.0763 2549 HB 34.4442 14.7300 13.0757 H 164 THR164 0.0611 2550 OG1 32.8201 15.7674 12.3884 O.3 164 THR164 -0.3900 2551 HG1 32.3348 15.0225 12.0482 H 164 THR164 0.2098 2552 CG2 32.8637 14.6073 14.5400 C.3 164 THR164 -0.0370 2553 HG21 32.4878 13.6578 14.1575 H 164 THR164 0.0255 2554 HG22 32.0079 15.1836 14.8932 H 164 THR164 0.0255 2555 HG23 33.4872 14.3745 15.4030 H 164 THR164 0.0255 2556 C 33.4490 17.5450 14.7740 C.2 164 THR164 0.2212 2557 O 33.5900 17.6750 15.9890 O.2 164 THR164 -0.2777 2558 N 32.4970 18.2110 14.0780 N.am 165 ASP165 -0.2450 2559 H 32.4250 18.0700 13.0700 H 165 ASP165 0.1312 2560 CA 31.5850 19.1130 14.7300 C.3 165 ASP165 0.0974 2561 HA 32.1571 19.6940 15.4565 H 165 ASP165 0.0563 2562 CB 31.0176 20.0702 13.6683 C.3 165 ASP165 0.0576 2563 HB1 30.4052 20.8479 14.1237 H 165 ASP165 0.0394 2564 HB2 30.3932 19.5374 12.9511 H 165 ASP165 0.0394 2565 CG 32.1861 20.7389 12.9110 C.2 165 ASP165 0.1780 2566 OD1 32.8514 21.5975 13.4885 O.co2 165 ASP165 -0.6478 2567 OD2 32.4268 20.3881 11.7553 O.co2 165 ASP165 -0.6478 2568 C 30.5430 18.2990 15.4410 C.2 165 ASP165 0.2192 2569 O 29.9490 17.3960 14.8510 O.2 165 ASP165 -0.2778 2570 N 30.3530 18.5790 16.7580 N.am 166 PHE166 -0.2453 2571 H 30.9340 19.3150 17.1600 H 166 PHE166 0.1312 2572 CA 29.4050 17.9340 17.6480 C.3 166 PHE166 0.0917 2573 HA 29.5055 16.8661 17.4472 H 166 PHE166 0.0560 2574 CB 29.7928 18.2300 19.1134 C.3 166 PHE166 -0.0036 2575 HB1 28.9086 18.3839 19.7341 H 166 PHE166 0.0333 2576 HB2 30.3546 19.1632 19.1743 H 166 PHE166 0.0333 2577 CG 30.6114 17.1205 19.7269 C.ar 166 PHE166 -0.0454 2578 CD1 31.7942 16.6954 19.1261 C.ar 166 PHE166 -0.0585 2579 HD1 32.1411 17.1591 18.2131 H 166 PHE166 0.0620 2580 CD2 30.1946 16.5010 20.9041 C.ar 166 PHE166 -0.0585 2581 HD2 29.2889 16.8225 21.3964 H 166 PHE166 0.0620 2582 CE1 32.5403 15.6660 19.6837 C.ar 166 PHE166 -0.0615 2583 HE1 33.4512 15.3373 19.2040 H 166 PHE166 0.0618 2584 CE2 30.9450 15.4770 21.4685 C.ar 166 PHE166 -0.0615 2585 HE2 30.6277 15.0039 22.3862 H 166 PHE166 0.0618 2586 CZ 32.1184 15.0598 20.8578 C.ar 166 PHE166 -0.0617 2587 HZ 32.7064 14.2652 21.2957 H 166 PHE166 0.0618 2588 C 27.9370 18.2510 17.4070 C.2 166 PHE166 0.2190 2589 O 27.1210 17.3290 17.3520 O.2 166 PHE166 -0.2778 2590 N 27.5620 19.5540 17.3090 N.am 167 ASP167 -0.2451 2591 H 28.2940 20.2640 17.2960 H 167 ASP167 0.1312 2592 CA 26.1870 19.9920 17.2220 C.3 167 ASP167 0.0974 2593 HA 25.6978 19.4051 17.9992 H 167 ASP167 0.0563 2594 CB 25.9557 21.4417 17.6792 C.3 167 ASP167 0.0576 2595 HB1 26.3194 21.5585 18.6991 H 167 ASP167 0.0394 2596 HB2 24.8899 21.6679 17.7100 H 167 ASP167 0.0394 2597 CG 26.6402 22.5072 16.8293 C.2 167 ASP167 0.1780 2598 OD1 27.7982 22.7995 17.1039 O.co2 167 ASP167 -0.6478 2599 OD2 26.0044 23.0412 15.9217 O.co2 167 ASP167 -0.6478 2600 C 25.4210 19.6100 15.9860 C.2 167 ASP167 0.2190 2601 O 24.5020 18.7930 16.0630 O.2 167 ASP167 -0.2778 2602 N 25.8010 20.1480 14.8040 N.am 168 GLY168 -0.2485 2603 H 26.6300 20.7390 14.7400 H 168 GLY168 0.1309 2604 CA 24.9920 19.8600 13.6200 C.3 168 GLY168 0.0765 2605 HA1 23.9683 20.1760 13.8216 H 168 GLY168 0.0521 2606 HA2 25.0165 18.7827 13.4471 H 168 GLY168 0.0521 2607 C 25.5000 20.5700 12.3980 C.2 168 GLY168 0.2156 2608 O 26.4590 21.3290 12.4700 O.2 168 GLY168 -0.2781 2609 N 24.8720 20.3190 11.2620 N.am 169 THR169 -0.2436 2610 H 24.2710 19.4980 11.1920 H 169 THR169 0.1312 2611 CA 25.0250 21.2010 10.1030 C.3 169 THR169 0.1135 2612 HA 26.0729 21.5023 10.0380 H 169 THR169 0.0583 2613 CB 24.6210 20.4495 8.8121 C.3 169 THR169 0.0763 2614 HB 23.7385 19.8365 9.0355 H 169 THR169 0.0611 2615 OG1 25.7127 19.6143 8.4652 O.3 169 THR169 -0.3900 2616 HG1 25.5009 19.0590 7.7215 H 169 THR169 0.2098 2617 CG2 24.3111 21.3771 7.6187 C.3 169 THR169 -0.0370 2618 HG21 24.0470 20.8123 6.7238 H 169 THR169 0.0255 2619 HG22 25.1721 22.0001 7.3767 H 169 THR169 0.0255 2620 HG23 23.4685 22.0352 7.8296 H 169 THR169 0.0255 2621 C 24.1670 22.4110 10.3410 C.2 169 THR169 0.2212 2622 O 22.9770 22.2910 10.6450 O.2 169 THR169 -0.2777 2623 N 24.7520 23.5860 10.1830 N.am 170 ARG170 -0.2456 2624 H 25.6570 23.6450 9.7160 H 170 ARG170 0.1312 2625 CA 24.0980 24.8150 10.6820 C.3 170 ARG170 0.0879 2626 HA 23.8173 24.5695 11.7060 H 170 ARG170 0.0557 2627 CB 25.1131 25.9678 10.7461 C.3 170 ARG170 -0.0258 2628 HB1 25.3495 26.3238 9.7426 H 170 ARG170 0.0286 2629 HB2 26.0456 25.5833 11.1618 H 170 ARG170 0.0286 2630 CG 24.6265 27.1326 11.6281 C.3 170 ARG170 -0.0154 2631 HG1 24.3227 26.7381 12.5962 H 170 ARG170 0.0299 2632 HG2 23.7372 27.5924 11.1949 H 170 ARG170 0.0299 2633 CD 25.6938 28.2124 11.8418 C.3 170 ARG170 0.1045 2634 HD1 25.9073 28.7327 10.9054 H 170 ARG170 0.0711 2635 HD2 26.6340 27.8019 12.2172 H 170 ARG170 0.0711 2636 NE 25.2158 29.2254 12.7756 N.pl3 170 ARG170 -0.4450 2637 HE 24.8714 30.1114 12.4230 H 170 ARG170 0.3153 2638 CZ 25.1647 29.1082 14.0938 C.cat 170 ARG170 0.5062 2639 NH1 25.5205 28.0063 14.7074 N.pl3 170 ARG170 -0.4573 2640 HH11 25.4677 27.9323 15.6996 H 170 ARG170 0.3114 2641 HH12 25.8466 27.2292 14.1744 H 170 ARG170 0.3114 2642 NH2 24.7440 30.1286 14.7807 N.pl3 170 ARG170 -0.4573 2643 HH21 24.6756 30.1256 15.7712 H 170 ARG170 0.3114 2644 HH22 24.4840 30.9445 14.2478 H 170 ARG170 0.3114 2645 C 22.7990 25.2580 9.9710 C.2 170 ARG170 0.2187 2646 O 21.8700 25.7780 10.6270 O.2 170 ARG170 -0.2778 2647 N 22.7360 25.0670 8.6510 N.am 171 VAL171 -0.2454 2648 H 23.5400 24.6930 8.1460 H 171 VAL171 0.1312 2649 CA 21.4900 25.4030 7.9270 C.3 171 VAL171 0.0901 2650 HA 21.1749 26.3878 8.2749 H 171 VAL171 0.0560 2651 CB 21.7448 25.4854 6.4068 C.3 171 VAL171 -0.0227 2652 HB 20.7915 25.7086 5.9231 H 171 VAL171 0.0315 2653 CG1 22.6856 26.6470 6.0563 C.3 171 VAL171 -0.0608 2654 HG11 22.7956 26.7466 4.9757 H 171 VAL171 0.0233 2655 HG12 23.6792 26.5024 6.4804 H 171 VAL171 0.0233 2656 HG13 22.2952 27.5947 6.4299 H 171 VAL171 0.0233 2657 CG2 22.2571 24.1627 5.8144 C.3 171 VAL171 -0.0608 2658 HG21 22.3794 24.2439 4.7340 H 171 VAL171 0.0233 2659 HG22 21.5570 23.3478 5.9969 H 171 VAL171 0.0233 2660 HG23 23.2218 23.8788 6.2343 H 171 VAL171 0.0233 2661 C 20.3220 24.4320 8.2340 C.2 171 VAL171 0.2189 2662 O 19.1730 24.6780 7.8240 O.2 171 VAL171 -0.2778 2663 N 20.6280 23.3670 8.9630 N.am 172 TYR172 -0.2453 2664 H 21.6030 23.2240 9.2270 H 172 TYR172 0.1312 2665 CA 19.6390 22.3910 9.4050 C.3 172 TYR172 0.0917 2666 HA 18.7266 22.5229 8.8234 H 172 TYR172 0.0560 2667 CB 20.2152 20.9806 9.1550 C.3 172 TYR172 -0.0036 2668 HB1 19.8576 20.2625 9.8956 H 172 TYR172 0.0333 2669 HB2 21.3015 20.9787 9.2499 H 172 TYR172 0.0333 2670 CG 19.8231 20.4441 7.8056 C.ar 172 TYR172 -0.0453 2671 CD1 20.6556 20.5700 6.6955 C.ar 172 TYR172 -0.0561 2672 HD1 21.6076 21.0684 6.7823 H 172 TYR172 0.0621 2673 CD2 18.6085 19.7846 7.6639 C.ar 172 TYR172 -0.0561 2674 HD2 17.9429 19.6807 8.5047 H 172 TYR172 0.0621 2675 CE1 20.2790 20.0353 5.4670 C.ar 172 TYR172 -0.0317 2676 HE1 20.9290 20.1004 4.6053 H 172 TYR172 0.0643 2677 CE2 18.2336 19.2489 6.4438 C.ar 172 TYR172 -0.0317 2678 HE2 17.2995 18.7199 6.3374 H 172 TYR172 0.0643 2679 CZ 19.0681 19.3711 5.3482 C.ar 172 TYR172 0.0726 2680 OH 18.6860 18.7860 4.1652 O.3 172 TYR172 -0.3598 2681 HH 19.3918 18.7920 3.5210 H 172 TYR172 0.2173 2682 C 19.2480 22.5400 10.8720 C.2 172 TYR172 0.2191 2683 O 18.4070 21.8030 11.3480 O.2 172 TYR172 -0.2778 2684 N 19.8500 23.4840 11.5810 N.am 173 SER173 -0.2436 2685 H 20.4390 24.1650 11.1010 H 173 SER173 0.1312 2686 CA 19.6940 23.5760 13.0300 C.3 173 SER173 0.1111 2687 HA 19.3523 22.6049 13.3841 H 173 SER173 0.0580 2688 CB 21.0715 23.8624 13.6505 C.3 173 SER173 0.0681 2689 HB1 21.7768 23.1012 13.2947 H 173 SER173 0.0577 2690 HB2 21.0233 23.7751 14.7398 H 173 SER173 0.0577 2691 OG 21.5269 25.1612 13.2998 O.3 173 SER173 -0.3930 2692 HG 22.4125 25.3078 13.6118 H 173 SER173 0.2095 2693 C 18.6880 24.6530 13.3910 C.2 173 SER173 0.2236 2694 O 18.5590 25.6530 12.7030 O.2 173 SER173 -0.2775 2695 N 17.9370 24.4460 14.4900 N.am 174 PRO174 -0.2315 2696 CA 16.7970 25.2990 14.7980 C.3 174 PRO174 0.0909 2697 HA 16.2230 25.4598 13.8898 H 174 PRO174 0.0560 2698 CD 18.1503 23.3624 15.4521 C.3 174 PRO174 0.0071 2699 HD1 19.1812 23.3639 15.8043 H 174 PRO174 0.0431 2700 HD2 17.9019 22.4210 14.9596 H 174 PRO174 0.0431 2701 CB 16.0551 24.4454 15.8345 C.3 174 PRO174 -0.0275 2702 HB1 15.4073 23.7325 15.3304 H 174 PRO174 0.0285 2703 HB2 15.4287 25.0178 16.5082 H 174 PRO174 0.0285 2704 CG 17.1536 23.6815 16.5614 C.3 174 PRO174 -0.0379 2705 HG1 17.6213 24.3331 17.3004 H 174 PRO174 0.0278 2706 HG2 16.7879 22.7964 17.0805 H 174 PRO174 0.0278 2707 C 17.2010 26.6460 15.4050 C.2 174 PRO174 0.2216 2708 O 18.3430 26.8120 15.7730 O.2 174 PRO174 -0.2776 2709 N 16.2900 27.6200 15.4130 N.am 175 PRO175 -0.2316 2710 CA 16.6050 28.9630 15.8510 C.3 175 PRO175 0.0907 2711 HA 17.3811 29.3476 15.1869 H 175 PRO175 0.0559 2712 CD 14.9063 27.4518 14.9915 C.3 175 PRO175 0.0071 2713 HD1 14.4865 26.5075 15.3307 H 175 PRO175 0.0431 2714 HD2 14.9231 27.5042 13.9065 H 175 PRO175 0.0431 2715 CB 15.2901 29.7268 15.6514 C.3 175 PRO175 -0.0276 2716 HB1 15.3189 30.2094 14.6762 H 175 PRO175 0.0285 2717 HB2 15.1017 30.5000 16.3968 H 175 PRO175 0.0285 2718 CG 14.2056 28.6569 15.6087 C.3 175 PRO175 -0.0379 2719 HG1 13.8840 28.4150 16.6225 H 175 PRO175 0.0278 2720 HG2 13.3312 28.9688 15.0388 H 175 PRO175 0.0278 2721 C 17.1270 29.0290 17.2820 C.2 175 PRO175 0.2189 2722 O 17.9360 29.9080 17.5930 O.2 175 PRO175 -0.2778 2723 N 16.6590 28.1190 18.1360 N.am 176 GLU176 -0.2456 2724 H 15.9910 27.4220 17.8070 H 176 GLU176 0.1312 2725 CA 17.0810 28.0990 19.5260 C.3 176 GLU176 0.0883 2726 HA 16.9691 29.1016 19.9239 H 176 GLU176 0.0557 2727 CB 16.2209 27.1494 20.3822 C.3 176 GLU176 -0.0193 2728 HB1 15.2169 27.5611 20.4889 H 176 GLU176 0.0290 2729 HB2 16.6271 27.1373 21.3933 H 176 GLU176 0.0290 2730 CG 16.1423 25.6900 19.8886 C.3 176 GLU176 0.0356 2731 HG1 16.0493 25.0233 20.7457 H 176 GLU176 0.0374 2732 HG2 17.0402 25.3811 19.3571 H 176 GLU176 0.0374 2733 CD 14.9245 25.4385 18.9914 C.2 176 GLU176 0.1760 2734 OE1 14.3914 26.3720 18.4039 O.co2 176 GLU176 -0.6478 2735 OE2 14.4950 24.3001 18.8798 O.co2 176 GLU176 -0.6478 2736 C 18.5590 27.6840 19.6490 C.2 176 GLU176 0.2187 2737 O 19.2230 28.0390 20.6250 O.2 176 GLU176 -0.2778 2738 N 19.0760 26.9700 18.6430 N.am 177 TRP177 -0.2453 2739 H 18.4630 26.6090 17.9120 H 177 TRP177 0.1312 2740 CA 20.5210 26.7010 18.5810 C.3 177 TRP177 0.0918 2741 HA 20.8563 26.4992 19.5997 H 177 TRP177 0.0560 2742 CB 20.8197 25.4714 17.7120 C.3 177 TRP177 -0.0021 2743 HB1 20.4872 25.6176 16.6833 H 177 TRP177 0.0334 2744 HB2 20.2954 24.5967 18.0979 H 177 TRP177 0.0334 2745 CG 22.3139 25.2198 17.7375 C.ar 177 TRP177 -0.0260 2746 CD2 23.0921 24.6944 18.8310 C.ar 177 TRP177 -0.0028 2747 CD1 23.2282 25.5950 16.7503 C.ar 177 TRP177 -0.0136 2748 HD1 22.9748 26.0808 15.8236 H 177 TRP177 0.0748 2749 NE1 24.4783 25.2708 17.1548 N.ar 177 TRP177 -0.2641 2750 HE1 25.3033 25.3352 16.6256 H 177 TRP177 0.1331 2751 CE2 24.4475 24.7602 18.4427 C.ar 177 TRP177 0.0269 2752 CE3 22.7612 24.2206 20.0685 C.ar 177 TRP177 -0.0528 2753 HE3 21.7251 24.2043 20.3633 H 177 TRP177 0.0624 2754 CZ2 25.4279 24.3407 19.2990 C.ar 177 TRP177 -0.0430 2755 HZ2 26.4606 24.3796 18.9814 H 177 TRP177 0.0633 2756 CZ3 23.7559 23.7900 20.9471 C.ar 177 TRP177 -0.0611 2757 HZ3 23.4914 23.4259 21.9289 H 177 TRP177 0.0618 2758 CH2 25.0942 23.8502 20.5610 C.ar 177 TRP177 -0.0602 2759 HH2 25.8736 23.5208 21.2319 H 177 TRP177 0.0618 2760 C 21.2860 27.9290 18.0710 C.2 177 TRP177 0.2190 2761 O 22.1480 28.4390 18.7800 O.2 177 TRP177 -0.2778 2762 N 20.9260 28.4280 16.8850 N.am 178 ILE178 -0.2454 2763 H 20.2330 27.9260 16.3300 H 178 ILE178 0.1312 2764 CA 21.4970 29.6850 16.3480 C.3 178 ILE178 0.0903 2765 HA 22.5143 29.4536 16.0411 H 178 ILE178 0.0560 2766 CB 20.6368 30.1337 15.1385 C.3 178 ILE178 -0.0201 2767 HB 19.6262 30.3168 15.5068 H 178 ILE178 0.0318 2768 CG1 20.4939 29.0531 14.0455 C.3 178 ILE178 -0.0514 2769 HG11 19.8669 29.4510 13.2482 H 178 ILE178 0.0266 2770 HG12 19.9575 28.1866 14.4301 H 178 ILE178 0.0266 2771 CG2 21.1205 31.4567 14.5239 C.3 178 ILE178 -0.0605 2772 HG21 20.5462 31.7130 13.6324 H 178 ILE178 0.0233 2773 HG22 22.1675 31.3885 14.2384 H 178 ILE178 0.0233 2774 HG23 21.0220 32.2891 15.2203 H 178 ILE178 0.0233 2775 CD1 21.8165 28.5863 13.4287 C.3 178 ILE178 -0.0650 2776 HD11 21.6326 27.8607 12.6359 H 178 ILE178 0.0230 2777 HD12 22.4544 28.1069 14.1696 H 178 ILE178 0.0230 2778 HD13 22.3632 29.4185 12.9860 H 178 ILE178 0.0230 2779 C 21.5530 30.8060 17.4180 C.2 178 ILE178 0.2190 2780 O 22.5970 31.4240 17.6160 O.2 178 ILE178 -0.2778 2781 N 20.4490 31.0470 18.1120 N.am 179 SER179 -0.2436 2782 H 19.6620 30.4030 18.0310 H 179 SER179 0.1312 2783 CA 20.3290 32.1990 18.9820 C.3 179 SER179 0.1109 2784 HA 20.9416 32.9852 18.5345 H 179 SER179 0.0580 2785 CB 18.8989 32.7581 19.0283 C.3 179 SER179 0.0681 2786 HB1 18.5688 33.0513 18.0234 H 179 SER179 0.0577 2787 HB2 18.8838 33.6762 19.6185 H 179 SER179 0.0577 2788 OG 17.9720 31.8628 19.6111 O.3 179 SER179 -0.3930 2789 HG 17.9792 31.0715 19.0811 H 179 SER179 0.2095 2790 C 20.9070 31.9810 20.3850 C.2 179 SER179 0.2209 2791 O 21.5230 32.8890 20.9190 O.2 179 SER179 -0.2777 2792 N 20.7240 30.8040 20.9870 N.am 180 ARG180 -0.2456 2793 H 20.2800 30.0390 20.4780 H 180 ARG180 0.1312 2794 CA 21.1580 30.6000 22.3820 C.3 180 ARG180 0.0879 2795 HA 21.8653 31.3798 22.6697 H 180 ARG180 0.0557 2796 CB 19.8833 30.6685 23.2526 C.3 180 ARG180 -0.0258 2797 HB1 20.1517 30.6116 24.3086 H 180 ARG180 0.0286 2798 HB2 19.2751 29.7875 23.0414 H 180 ARG180 0.0286 2799 CG 19.0274 31.9291 23.0171 C.3 180 ARG180 -0.0154 2800 HG1 18.7371 32.0032 21.9726 H 180 ARG180 0.0299 2801 HG2 19.6259 32.8164 23.2267 H 180 ARG180 0.0299 2802 CD 17.7433 31.9679 23.8567 C.3 180 ARG180 0.1045 2803 HD1 17.1314 32.8431 23.6247 H 180 ARG180 0.0711 2804 HD2 17.9885 32.0181 24.9200 H 180 ARG180 0.0711 2805 NE 16.9339 30.7619 23.6679 N.pl3 180 ARG180 -0.4450 2806 HE 16.9098 30.0751 24.3944 H 180 ARG180 0.3153 2807 CZ 16.2031 30.4611 22.5976 C.cat 180 ARG180 0.5062 2808 NH1 16.1547 31.2351 21.5494 N.pl3 180 ARG180 -0.4573 2809 HH11 15.5584 31.0179 20.7806 H 180 ARG180 0.3114 2810 HH12 16.7302 32.0487 21.5028 H 180 ARG180 0.3114 2811 NH2 15.5159 29.3532 22.5986 N.pl3 180 ARG180 -0.4573 2812 HH21 14.9390 29.1081 21.8227 H 180 ARG180 0.3114 2813 HH22 15.5811 28.7426 23.3885 H 180 ARG180 0.3114 2814 C 21.8450 29.2600 22.6390 C.2 180 ARG180 0.2187 2815 O 21.9230 28.8170 23.7870 O.2 180 ARG180 -0.2778 2816 N 22.3530 28.6180 21.5890 N.am 181 HIS181 -0.2453 2817 H 22.2670 29.0300 20.6600 H 181 HIS181 0.1312 2818 CA 23.0350 27.3270 21.7460 C.3 181 HIS181 0.0932 2819 HA 23.0699 26.8983 20.7456 H 181 HIS181 0.0561 2820 ND1 25.7799 27.9877 20.1616 N.ar 181 HIS181 -0.2469 2821 CG 25.2189 28.4241 21.3077 C.ar 181 HIS181 0.0551 2822 CB 24.4657 27.5300 22.2651 C.3 181 HIS181 0.0146 2823 HB1 24.9898 26.5762 22.3363 H 181 HIS181 0.0348 2824 HB2 24.4667 27.9782 23.2587 H 181 HIS181 0.0348 2825 NE2 26.1194 30.1863 20.2999 N.ar 181 HIS181 -0.2539 2826 HE2 26.4171 31.0917 20.0734 H 181 HIS181 0.1339 2827 CD2 25.4222 29.8111 21.3973 C.ar 181 HIS181 0.0047 2828 HD2 25.0763 30.4533 22.1935 H 181 HIS181 0.0764 2829 CE1 26.3264 29.0674 19.5808 C.ar 181 HIS181 0.0737 2830 HE1 26.8686 29.0299 18.6469 H 181 HIS181 0.0963 2831 C 22.2310 26.3800 22.6340 C.2 181 HIS181 0.2190 2832 O 22.7770 25.6310 23.4240 O.2 181 HIS181 -0.2778 2833 N 20.9140 26.4280 22.4870 N.am 182 GLN182 -0.2456 2834 H 20.5140 27.1200 21.8530 H 182 GLN182 0.1312 2835 CA 20.0320 25.5400 23.1890 C.3 182 GLN182 0.0882 2836 HA 20.5552 25.1008 24.0415 H 182 GLN182 0.0557 2837 CB 18.7933 26.3023 23.6815 C.3 182 GLN182 -0.0210 2838 HB1 18.0357 25.5882 24.0101 H 182 GLN182 0.0289 2839 HB2 18.3547 26.8627 22.8555 H 182 GLN182 0.0289 2840 CG 19.1209 27.2443 24.8485 C.3 182 GLN182 0.0225 2841 HG1 19.8033 28.0277 24.5319 H 182 GLN182 0.0356 2842 HG2 19.6134 26.6926 25.6500 H 182 GLN182 0.0356 2843 CD 17.8570 27.9113 25.4082 C.2 182 GLN182 0.1981 2844 OE1 16.8670 28.1160 24.7167 O.2 182 GLN182 -0.2798 2845 NE2 17.9515 28.2382 26.7049 N.am 182 GLN182 -0.2724 2846 HE21 17.1799 28.6582 27.1815 H 182 GLN182 0.1266 2847 HE22 18.7911 28.0605 27.2188 H 182 GLN182 0.1266 2848 C 19.6230 24.4200 22.2470 C.2 182 GLN182 0.2187 2849 O 19.3470 24.6550 21.0990 O.2 182 GLN182 -0.2778 2850 N 19.5860 23.2060 22.7700 N.am 183 TYR183 -0.2453 2851 H 19.7310 23.1140 23.7760 H 183 TYR183 0.1312 2852 CA 19.3530 22.0040 22.0070 C.3 183 TYR183 0.0917 2853 HA 18.7741 22.2721 21.1199 H 183 TYR183 0.0560 2854 CB 20.7203 21.4261 21.5918 C.3 183 TYR183 -0.0036 2855 HB1 21.2537 21.0319 22.4580 H 183 TYR183 0.0333 2856 HB2 21.3475 22.2271 21.2151 H 183 TYR183 0.0333 2857 CG 20.6418 20.3603 20.5258 C.ar 183 TYR183 -0.0453 2858 CD1 20.8875 20.6822 19.1928 C.ar 183 TYR183 -0.0561 2859 HD1 21.0987 21.7049 18.9122 H 183 TYR183 0.0621 2860 CD2 20.3959 19.0312 20.8619 C.ar 183 TYR183 -0.0561 2861 HD2 20.2127 18.7604 21.8917 H 183 TYR183 0.0621 2862 CE1 20.9075 19.6924 18.2175 C.ar 183 TYR183 -0.0317 2863 HE1 21.1276 19.9498 17.1915 H 183 TYR183 0.0643 2864 CE2 20.4014 18.0425 19.8863 C.ar 183 TYR183 -0.0317 2865 HE2 20.2151 17.0135 20.1534 H 183 TYR183 0.0643 2866 CZ 20.6690 18.3707 18.5660 C.ar 183 TYR183 0.0726 2867 OH 20.7255 17.3766 17.6111 O.3 183 TYR183 -0.3598 2868 HH 20.9712 17.7610 16.7762 H 183 TYR183 0.2173 2869 C 18.5830 20.9370 22.7850 C.2 183 TYR183 0.2190 2870 O 19.0920 20.3750 23.7530 O.2 183 TYR183 -0.2778 2871 N 17.3550 20.6670 22.3550 N.am 184 HIS184 -0.2453 2872 H 16.9080 21.3160 21.7080 H 184 HIS184 0.1312 2873 CA 16.6210 19.4760 22.7740 C.3 184 HIS184 0.0932 2874 HA 17.2440 18.8988 23.4607 H 184 HIS184 0.0561 2875 ND1 14.9789 17.4339 24.0342 N.ar 184 HIS184 -0.2469 2876 CG 14.5140 18.7006 23.9449 C.ar 184 HIS184 0.0551 2877 CB 15.3351 19.8961 23.5038 C.3 184 HIS184 0.0146 2878 HB1 14.7268 20.5452 22.8783 H 184 HIS184 0.0348 2879 HB2 15.5943 20.4759 24.3895 H 184 HIS184 0.0348 2880 NE2 12.8182 17.4094 24.5771 N.ar 184 HIS184 -0.2539 2881 HE2 11.9375 17.0788 24.8526 H 184 HIS184 0.1339 2882 CD2 13.1550 18.6901 24.3006 C.ar 184 HIS184 0.0047 2883 HD2 12.4984 19.5472 24.3256 H 184 HIS184 0.0764 2884 CE1 13.9361 16.6789 24.4188 C.ar 184 HIS184 0.0737 2885 HE1 13.9916 15.6115 24.5825 H 184 HIS184 0.0963 2886 C 16.3800 18.6090 21.5160 C.2 184 HIS184 0.2190 2887 O 15.8750 19.0950 20.5030 O.2 184 HIS184 -0.2778 2888 N 16.7580 17.3380 21.6140 N.am 185 ALA185 -0.2459 2889 H 16.9440 16.9610 22.5430 H 185 ALA185 0.1312 2890 CA 16.9210 16.4560 20.4720 C.3 185 ALA185 0.0850 2891 HA 17.6782 16.8935 19.8204 H 185 ALA185 0.0554 2892 CB 17.3645 15.0877 20.9994 C.3 185 ALA185 -0.0411 2893 HB1 17.3507 14.3375 20.2111 H 185 ALA185 0.0249 2894 HB2 16.6994 14.7350 21.7888 H 185 ALA185 0.0249 2895 HB3 18.3723 15.1348 21.4117 H 185 ALA185 0.0249 2896 C 15.6460 16.2860 19.6760 C.2 185 ALA185 0.2184 2897 O 15.6860 16.2940 18.4500 O.2 185 ALA185 -0.2778 2898 N 14.5260 16.1480 20.3820 N.am 186 LEU186 -0.2456 2899 H 14.5710 16.1970 21.4000 H 186 LEU186 0.1312 2900 CA 13.2430 15.9290 19.7410 C.3 186 LEU186 0.0883 2901 HA 13.4116 15.1246 19.0224 H 186 LEU186 0.0557 2902 CB 12.1953 15.4298 20.7530 C.3 186 LEU186 -0.0266 2903 HB1 12.1453 16.1037 21.6064 H 186 LEU186 0.0287 2904 HB2 12.5383 14.4789 21.1624 H 186 LEU186 0.0287 2905 CG 10.7812 15.2379 20.1646 C.3 186 LEU186 -0.0449 2906 HG 10.4234 16.2003 19.7964 H 186 LEU186 0.0296 2907 CD1 9.8011 14.7837 21.2528 C.3 186 LEU186 -0.0626 2908 HD11 8.7904 14.6871 20.8543 H 186 LEU186 0.0232 2909 HD12 9.7653 15.4990 22.0746 H 186 LEU186 0.0232 2910 HD13 10.0890 13.8153 21.6632 H 186 LEU186 0.0232 2911 CD2 10.7662 14.2509 18.9861 C.3 186 LEU186 -0.0626 2912 HD21 9.7513 14.1025 18.6151 H 186 LEU186 0.0232 2913 HD22 11.1553 13.2758 19.2810 H 186 LEU186 0.0232 2914 HD23 11.3625 14.6110 18.1481 H 186 LEU186 0.0232 2915 C 12.8010 17.1380 18.9220 C.2 186 LEU186 0.2214 2916 O 12.6180 17.0030 17.7260 O.2 186 LEU186 -0.2776 2917 N 12.6090 18.3080 19.5570 N.am 187 PRO187 -0.2316 2918 CA 12.3080 19.4670 18.7100 C.3 187 PRO187 0.0907 2919 HA 11.3869 19.2454 18.1670 H 187 PRO187 0.0559 2920 CD 12.6724 18.6072 20.9787 C.3 187 PRO187 0.0071 2921 HD1 13.5327 18.1313 21.4392 H 187 PRO187 0.0431 2922 HD2 11.7431 18.2556 21.4277 H 187 PRO187 0.0431 2923 CB 12.0615 20.5938 19.7203 C.3 187 PRO187 -0.0276 2924 HB1 10.9914 20.6755 19.9152 H 187 PRO187 0.0285 2925 HB2 12.4043 21.5733 19.3849 H 187 PRO187 0.0285 2926 CG 12.7679 20.1350 20.9913 C.3 187 PRO187 -0.0379 2927 HG1 13.8122 20.4350 20.9200 H 187 PRO187 0.0278 2928 HG2 12.3507 20.5804 21.8941 H 187 PRO187 0.0278 2929 C 13.3870 19.8250 17.6760 C.2 187 PRO187 0.2189 2930 O 13.0300 20.3710 16.5920 O.2 187 PRO187 -0.2778 2931 N 14.6590 19.5220 17.9640 N.am 188 ALA188 -0.2459 2932 H 14.8850 19.0850 18.8570 H 188 ALA188 0.1312 2933 CA 15.7270 19.8130 17.0060 C.3 188 ALA188 0.0850 2934 HA 15.6242 20.8548 16.6986 H 188 ALA188 0.0554 2935 CB 17.0920 19.5767 17.6646 C.3 188 ALA188 -0.0411 2936 HB1 17.9074 19.7794 16.9694 H 188 ALA188 0.0249 2937 HB2 17.1957 18.5494 18.0154 H 188 ALA188 0.0249 2938 HB3 17.2242 20.2334 18.5247 H 188 ALA188 0.0249 2939 C 15.5360 18.9350 15.8050 C.2 188 ALA188 0.2185 2940 O 15.6420 19.3720 14.7050 O.2 188 ALA188 -0.2778 2941 N 15.2510 17.6730 16.0400 N.am 189 THR189 -0.2434 2942 H 15.1530 17.3460 17.0010 H 189 THR189 0.1313 2943 CA 15.0770 16.7560 14.9540 C.3 189 THR189 0.1135 2944 HA 15.9796 16.8202 14.3477 H 189 THR189 0.0583 2945 CB 14.9587 15.3156 15.4797 C.3 189 THR189 0.0763 2946 HB 14.1192 15.2775 16.1865 H 189 THR189 0.0611 2947 OG1 16.1778 14.9936 16.1361 O.3 189 THR189 -0.3900 2948 HG1 16.0959 14.1845 16.6295 H 189 THR189 0.2098 2949 CG2 14.7441 14.3013 14.3457 C.3 189 THR189 -0.0370 2950 HG21 14.7960 13.2825 14.7199 H 189 THR189 0.0255 2951 HG22 15.5095 14.4071 13.5763 H 189 THR189 0.0255 2952 HG23 13.7714 14.4277 13.8700 H 189 THR189 0.0255 2953 C 13.8980 17.1480 14.0580 C.2 189 THR189 0.2212 2954 O 14.0050 17.1750 12.8320 O.2 189 THR189 -0.2777 2955 N 12.7910 17.5070 14.6830 N.am 190 VAL190 -0.2453 2956 H 12.7650 17.5310 15.7020 H 190 VAL190 0.1312 2957 CA 11.6110 17.8670 13.9160 C.3 190 VAL190 0.0901 2958 HA 11.3716 17.0316 13.2585 H 190 VAL190 0.0560 2959 CB 10.4347 18.1308 14.8786 C.3 190 VAL190 -0.0227 2960 HB 10.7787 18.8078 15.6624 H 190 VAL190 0.0315 2961 CG1 9.2411 18.8046 14.1765 C.3 190 VAL190 -0.0608 2962 HG11 8.3463 18.7821 14.7977 H 190 VAL190 0.0233 2963 HG12 9.0021 18.3074 13.2377 H 190 VAL190 0.0233 2964 HG13 9.4538 19.8487 13.9453 H 190 VAL190 0.0233 2965 CG2 9.9931 16.8246 15.5590 C.3 190 VAL190 -0.0608 2966 HG21 9.2537 17.0185 16.3347 H 190 VAL190 0.0233 2967 HG22 10.8269 16.3104 16.0359 H 190 VAL190 0.0233 2968 HG23 9.5480 16.1355 14.8403 H 190 VAL190 0.0233 2969 C 11.9300 19.0710 13.0440 C.2 190 VAL190 0.2189 2970 O 11.5390 19.1410 11.8670 O.2 190 VAL190 -0.2778 2971 N 12.6600 20.0250 13.5950 N.am 191 TRP191 -0.2453 2972 H 12.9440 19.9480 14.5720 H 191 TRP191 0.1312 2973 CA 13.0570 21.1780 12.8160 C.3 191 TRP191 0.0918 2974 HA 12.1416 21.6594 12.4684 H 191 TRP191 0.0560 2975 CB 13.8686 22.1680 13.6708 C.3 191 TRP191 -0.0021 2976 HB1 14.7405 21.6761 14.1026 H 191 TRP191 0.0334 2977 HB2 13.2649 22.5253 14.5034 H 191 TRP191 0.0334 2978 CG 14.3375 23.3467 12.8318 C.ar 191 TRP191 -0.0260 2979 CD2 13.7325 24.6511 12.6991 C.ar 191 TRP191 -0.0028 2980 CD1 15.4893 23.3705 12.0392 C.ar 191 TRP191 -0.0136 2981 HD1 16.1816 22.5497 11.9325 H 191 TRP191 0.0748 2982 NE1 15.5840 24.5650 11.4106 N.ar 191 TRP191 -0.2641 2983 HE1 16.3053 24.8228 10.7981 H 191 TRP191 0.1331 2984 CE2 14.5239 25.3798 11.7786 C.ar 191 TRP191 0.0269 2985 CE3 12.6334 25.2395 13.2635 C.ar 191 TRP191 -0.0528 2986 HE3 12.0242 24.6827 13.9565 H 191 TRP191 0.0624 2987 CZ2 14.1766 26.6566 11.4332 C.ar 191 TRP191 -0.0430 2988 HZ2 14.7923 27.2088 10.7399 H 191 TRP191 0.0633 2989 CZ3 12.2891 26.5501 12.9287 C.ar 191 TRP191 -0.0611 2990 HZ3 11.4290 27.0198 13.3810 H 191 TRP191 0.0618 2991 CH2 13.0484 27.2533 11.9946 C.ar 191 TRP191 -0.0602 2992 HH2 12.7865 28.2673 11.7297 H 191 TRP191 0.0618 2993 C 13.8560 20.7390 11.5750 C.2 191 TRP191 0.2191 2994 O 13.5700 21.1820 10.4870 O.2 191 TRP191 -0.2778 2995 N 14.8400 19.8820 11.7410 N.am 192 SER192 -0.2436 2996 H 15.0100 19.4810 12.6630 H 192 SER192 0.1312 2997 CA 15.6850 19.5010 10.6270 C.3 192 SER192 0.1109 2998 HA 15.9610 20.4127 10.0935 H 192 SER192 0.0580 2999 CB 16.9648 18.8335 11.1573 C.3 192 SER192 0.0681 3000 HB1 17.5179 19.5771 11.7401 H 192 SER192 0.0577 3001 HB2 17.6022 18.5310 10.3196 H 192 SER192 0.0577 3002 OG 16.6764 17.7024 11.9710 O.3 192 SER192 -0.3930 3003 HG 17.4771 17.3438 12.3459 H 192 SER192 0.2095 3004 C 14.9420 18.5610 9.6080 C.2 192 SER192 0.2209 3005 O 15.3010 18.5080 8.3900 O.2 192 SER192 -0.2777 3006 N 13.8820 17.9010 10.0980 N.am 193 LEU193 -0.2456 3007 H 13.7330 17.8730 11.1070 H 193 LEU193 0.1312 3008 CA 12.9310 17.2180 9.2110 C.3 193 LEU193 0.0880 3009 HA 13.5192 16.6049 8.5286 H 193 LEU193 0.0557 3010 CB 11.9604 16.3603 10.0446 C.3 193 LEU193 -0.0266 3011 HB1 11.0336 16.1775 9.4993 H 193 LEU193 0.0287 3012 HB2 11.6684 16.9166 10.9329 H 193 LEU193 0.0287 3013 CG 12.5472 15.0026 10.4551 C.3 193 LEU193 -0.0449 3014 HG 13.5565 15.1607 10.8390 H 193 LEU193 0.0296 3015 CD1 11.7088 14.3735 11.5790 C.3 193 LEU193 -0.0626 3016 HD11 12.0671 13.3814 11.8464 H 193 LEU193 0.0232 3017 HD12 10.6629 14.2786 11.2864 H 193 LEU193 0.0232 3018 HD13 11.7441 14.9815 12.4818 H 193 LEU193 0.0232 3019 CD2 12.6277 14.0642 9.2407 C.3 193 LEU193 -0.0626 3020 HD21 13.1679 13.1581 9.4831 H 193 LEU193 0.0232 3021 HD22 13.1489 14.5147 8.3972 H 193 LEU193 0.0232 3022 HD23 11.6351 13.7729 8.8999 H 193 LEU193 0.0232 3023 C 12.1770 18.2000 8.3710 C.2 193 LEU193 0.2185 3024 O 11.9100 17.9440 7.1920 O.2 193 LEU193 -0.2778 3025 N 11.7980 19.3100 8.9830 N.am 194 GLY194 -0.2485 3026 H 11.9230 19.3880 9.9920 H 194 GLY194 0.1309 3027 CA 11.1980 20.4410 8.2420 C.3 194 GLY194 0.0765 3028 HA1 11.0478 21.2544 8.9501 H 194 GLY194 0.0521 3029 HA2 10.2369 20.1173 7.8412 H 194 GLY194 0.0521 3030 C 12.1240 20.9000 7.1010 C.2 194 GLY194 0.2155 3031 O 11.6740 21.0940 5.9530 O.2 194 GLY194 -0.2781 3032 N 13.4190 21.0550 7.4240 N.am 195 ILE195 -0.2456 3033 H 13.7280 20.8350 8.3710 H 195 ILE195 0.1312 3034 CA 14.4010 21.5350 6.4390 C.3 195 ILE195 0.0903 3035 HA 13.9883 22.4378 5.9876 H 195 ILE195 0.0560 3036 CB 15.7457 21.8547 7.1269 C.3 195 ILE195 -0.0201 3037 HB 16.0993 20.9268 7.5737 H 195 ILE195 0.0318 3038 CG1 15.6050 22.8676 8.2821 C.3 195 ILE195 -0.0514 3039 HG11 16.5593 22.9578 8.7994 H 195 ILE195 0.0266 3040 HG12 14.9127 22.4904 9.0295 H 195 ILE195 0.0266 3041 CG2 16.8130 22.3245 6.1224 C.3 195 ILE195 -0.0605 3042 HG21 17.7551 22.5543 6.6201 H 195 ILE195 0.0233 3043 HG22 16.4883 23.2182 5.5958 H 195 ILE195 0.0233 3044 HG23 17.0208 21.5681 5.3658 H 195 ILE195 0.0233 3045 CD1 15.1520 24.2663 7.8493 C.3 195 ILE195 -0.0650 3046 HD11 15.0630 24.9183 8.7172 H 195 ILE195 0.0230 3047 HD12 14.1814 24.2430 7.3551 H 195 ILE195 0.0230 3048 HD13 15.8707 24.7246 7.1709 H 195 ILE195 0.0230 3049 C 14.5440 20.4970 5.3240 C.2 195 ILE195 0.2189 3050 O 14.5590 20.8110 4.1560 O.2 195 ILE195 -0.2778 3051 N 14.6580 19.2520 5.7170 N.am 196 LEU196 -0.2456 3052 H 14.6260 19.0470 6.7160 H 196 LEU196 0.1312 3053 CA 14.8240 18.1780 4.8050 C.3 196 LEU196 0.0880 3054 HA 15.7480 18.3771 4.2669 H 196 LEU196 0.0557 3055 CB 14.9388 16.8821 5.6374 C.3 196 LEU196 -0.0266 3056 HB1 13.9878 16.7092 6.1420 H 196 LEU196 0.0287 3057 HB2 15.6643 17.0228 6.4379 H 196 LEU196 0.0287 3058 CG 15.3352 15.6249 4.8372 C.3 196 LEU196 -0.0449 3059 HG 14.9164 15.6913 3.8333 H 196 LEU196 0.0296 3060 CD1 16.8561 15.5234 4.6903 C.3 196 LEU196 -0.0626 3061 HD11 17.1364 14.6909 4.0451 H 196 LEU196 0.0232 3062 HD12 17.3317 15.3733 5.6590 H 196 LEU196 0.0232 3063 HD13 17.2706 16.4316 4.2519 H 196 LEU196 0.0232 3064 CD2 14.7778 14.3533 5.4922 C.3 196 LEU196 -0.0626 3065 HD21 15.0382 13.4686 4.9107 H 196 LEU196 0.0232 3066 HD22 13.6907 14.3938 5.5633 H 196 LEU196 0.0232 3067 HD23 15.1758 14.2236 6.4989 H 196 LEU196 0.0232 3068 C 13.6510 18.0520 3.8380 C.2 196 LEU196 0.2187 3069 O 13.8520 17.8190 2.6640 O.2 196 LEU196 -0.2778 3070 N 12.4330 18.1780 4.3560 N.am 197 LEU197 -0.2456 3071 H 12.3420 18.4020 5.3470 H 197 LEU197 0.1312 3072 CA 11.2280 18.0090 3.5640 C.3 197 LEU197 0.0880 3073 HA 11.3282 17.0697 3.0206 H 197 LEU197 0.0557 3074 CB 10.0019 17.9911 4.4898 C.3 197 LEU197 -0.0266 3075 HB1 10.0294 18.8684 5.1385 H 197 LEU197 0.0287 3076 HB2 10.0794 17.1323 5.1529 H 197 LEU197 0.0287 3077 CG 8.6495 17.9514 3.7521 C.3 197 LEU197 -0.0449 3078 HG 8.5587 18.8565 3.1510 H 197 LEU197 0.0296 3079 CD1 8.5343 16.7502 2.8032 C.3 197 LEU197 -0.0626 3080 HD11 7.5743 16.7646 2.2902 H 197 LEU197 0.0232 3081 HD12 8.6145 15.8075 3.3438 H 197 LEU197 0.0232 3082 HD13 9.3064 16.7647 2.0341 H 197 LEU197 0.0232 3083 CD2 7.4892 17.9628 4.7500 C.3 197 LEU197 -0.0626 3084 HD21 6.5361 18.0563 4.2300 H 197 LEU197 0.0232 3085 HD22 7.5708 18.7971 5.4463 H 197 LEU197 0.0232 3086 HD23 7.4676 17.0454 5.3359 H 197 LEU197 0.0232 3087 C 11.1450 19.1170 2.5800 C.2 197 LEU197 0.2187 3088 O 10.8580 18.8900 1.4180 O.2 197 LEU197 -0.2778 3089 N 11.3920 20.3270 3.0460 N.am 198 TYR198 -0.2453 3090 H 11.5130 20.4740 4.0480 H 198 TYR198 0.1312 3091 CA 11.4920 21.4670 2.1120 C.3 198 TYR198 0.0917 3092 HA 10.5219 21.5655 1.6269 H 198 TYR198 0.0560 3093 CB 11.8016 22.7441 2.9190 C.3 198 TYR198 -0.0036 3094 HB1 12.7803 22.6587 3.3949 H 198 TYR198 0.0333 3095 HB2 11.0835 22.8397 3.7336 H 198 TYR198 0.0333 3096 CG 11.7658 24.0056 2.0846 C.ar 198 TYR198 -0.0453 3097 CD1 12.8893 24.4090 1.3687 C.ar 198 TYR198 -0.0561 3098 HD1 13.7891 23.8124 1.4025 H 198 TYR198 0.0621 3099 CD2 10.6178 24.7906 2.0154 C.ar 198 TYR198 -0.0561 3100 HD2 9.7266 24.4923 2.5401 H 198 TYR198 0.0621 3101 CE1 12.8650 25.5586 0.5891 C.ar 198 TYR198 -0.0317 3102 HE1 13.7426 25.8462 0.0266 H 198 TYR198 0.0643 3103 CE2 10.6000 25.9617 1.2670 C.ar 198 TYR198 -0.0317 3104 HE2 9.7080 26.5673 1.2218 H 198 TYR198 0.0643 3105 CZ 11.7232 26.3454 0.5507 C.ar 198 TYR198 0.0726 3106 OH 11.6934 27.4842 -0.2275 O.3 198 TYR198 -0.3598 3107 HH 10.9901 28.0624 0.0382 H 198 TYR198 0.2173 3108 C 12.5390 21.2420 1.0580 C.2 198 TYR198 0.2190 3109 O 12.3440 21.6630 -0.0570 O.2 198 TYR198 -0.2778 3110 N 13.6450 20.5760 1.3900 N.am 199 ASP199 -0.2451 3111 H 13.7500 20.2220 2.3410 H 199 ASP199 0.1312 3112 CA 14.7020 20.3460 0.4220 C.3 199 ASP199 0.0974 3113 HA 14.8754 21.2822 -0.0953 H 199 ASP199 0.0563 3114 CB 16.0347 19.8788 1.1034 C.3 199 ASP199 0.0576 3115 HB1 16.0838 20.2449 2.1277 H 199 ASP199 0.0394 3116 HB2 16.8676 20.3527 0.5852 H 199 ASP199 0.0394 3117 CG 16.3706 18.3500 1.1089 C.2 199 ASP199 0.1780 3118 OD1 16.5483 17.7690 0.0448 O.co2 199 ASP199 -0.6478 3119 OD2 16.4589 17.7389 2.1666 O.co2 199 ASP199 -0.6478 3120 C 14.2600 19.3210 -0.6380 C.2 199 ASP199 0.2192 3121 O 14.5010 19.4840 -1.8410 O.2 199 ASP199 -0.2778 3122 N 13.6010 18.2670 -0.1900 N.am 200 MET200 -0.2456 3123 H 13.4420 18.1470 0.8110 H 200 MET200 0.1312 3124 CA 13.1030 17.2770 -1.1360 C.3 200 MET200 0.0885 3125 HA 13.9672 16.9289 -1.7041 H 200 MET200 0.0557 3126 CB 12.4610 16.0973 -0.3931 C.3 200 MET200 -0.0199 3127 HB1 11.9853 15.4351 -1.1154 H 200 MET200 0.0293 3128 HB2 11.6787 16.4524 0.2789 H 200 MET200 0.0293 3129 CG 13.4829 15.2652 0.3859 C.3 200 MET200 -0.0047 3130 HG1 13.9659 15.8465 1.1719 H 200 MET200 0.0377 3131 HG2 14.2936 14.9643 -0.2753 H 200 MET200 0.0377 3132 SD 12.7203 13.7733 1.0665 S.3 200 MET200 -0.1641 3133 CE 12.2561 14.3969 2.6917 C.3 200 MET200 -0.0181 3134 HE1 12.3779 13.6046 3.4291 H 200 MET200 0.0340 3135 HE2 11.2180 14.7272 2.6920 H 200 MET200 0.0340 3136 HE3 12.8971 15.2230 2.9965 H 200 MET200 0.0340 3137 C 12.1280 17.9160 -2.1130 C.2 200 MET200 0.2187 3138 O 12.2660 17.7220 -3.3100 O.2 200 MET200 -0.2778 3139 N 11.1720 18.6980 -1.6300 N.am 201 VAL201 -0.2454 3140 H 11.1520 18.9500 -0.6420 H 201 VAL201 0.1312 3141 CA 10.1530 19.1870 -2.5440 C.3 201 VAL201 0.0901 3142 HA 9.9572 18.4147 -3.2911 H 201 VAL201 0.0560 3143 CB 8.8274 19.4620 -1.7801 C.3 201 VAL201 -0.0227 3144 HB 8.0811 19.7767 -2.5124 H 201 VAL201 0.0315 3145 CG1 8.2537 18.2023 -1.1131 C.3 201 VAL201 -0.0608 3146 HG11 7.3637 18.4412 -0.5309 H 201 VAL201 0.0233 3147 HG12 8.9694 17.7371 -0.4344 H 201 VAL201 0.0233 3148 HG13 7.9456 17.4742 -1.8615 H 201 VAL201 0.0233 3149 CG2 8.9362 20.6067 -0.7579 C.3 201 VAL201 -0.0608 3150 HG21 7.9989 20.7442 -0.2191 H 201 VAL201 0.0233 3151 HG22 9.1690 21.5578 -1.2355 H 201 VAL201 0.0233 3152 HG23 9.7130 20.4059 -0.0271 H 201 VAL201 0.0233 3153 C 10.5480 20.4260 -3.2730 C.2 201 VAL201 0.2189 3154 O 10.0180 20.6440 -4.3600 O.2 201 VAL201 -0.2778 3155 N 11.4840 21.2210 -2.7490 N.am 202 CYS202 -0.2449 3156 H 11.8750 21.0200 -1.8290 H 202 CYS202 0.1312 3157 CA 11.9480 22.3980 -3.5180 C.3 202 CYS202 0.0965 3158 HA 11.2022 22.6536 -4.2715 H 202 CYS202 0.0565 3159 CB 12.0604 23.5913 -2.5590 C.3 202 CYS202 0.0147 3160 HB1 12.4284 24.4708 -3.0895 H 202 CYS202 0.0394 3161 HB2 12.7874 23.3860 -1.7717 H 202 CYS202 0.0394 3162 SG 10.4701 24.0219 -1.8042 S.3 202 CYS202 -0.1762 3163 HG 10.5909 25.1991 -1.1900 H 202 CYS202 0.1017 3164 C 13.2590 22.2270 -4.2450 C.2 202 CYS202 0.2192 3165 O 13.6110 23.0490 -5.0570 O.2 202 CYS202 -0.2778 3166 N 14.0010 21.1820 -3.9580 N.am 203 GLY203 -0.2484 3167 H 13.6500 20.4780 -3.3090 H 203 GLY203 0.1309 3168 CA 15.3230 21.0150 -4.5570 C.3 203 GLY203 0.0765 3169 HA1 15.2722 21.2280 -5.6248 H 203 GLY203 0.0521 3170 HA2 15.5855 19.9653 -4.4298 H 203 GLY203 0.0521 3171 C 16.4100 21.8620 -3.9070 C.2 203 GLY203 0.2155 3172 O 17.5440 21.8740 -4.3940 O.2 203 GLY203 -0.2781 3173 N 16.0710 22.5510 -2.8080 N.am 204 ASP204 -0.2454 3174 H 15.1520 22.3920 -2.3960 H 204 ASP204 0.1312 3175 CA 16.9600 23.5160 -2.1780 C.3 204 ASP204 0.0974 3176 HA 17.9671 23.0950 -2.2187 H 204 ASP204 0.0563 3177 CB 16.8747 24.8314 -2.9875 C.3 204 ASP204 0.0576 3178 HB1 16.0329 25.4416 -2.6630 H 204 ASP204 0.0394 3179 HB2 16.6918 24.6000 -4.0360 H 204 ASP204 0.0394 3180 CG 18.1410 25.7048 -2.9744 C.2 204 ASP204 0.1780 3181 OD1 19.0482 25.4579 -2.1833 O.co2 204 ASP204 -0.6478 3182 OD2 18.2024 26.6359 -3.7768 O.co2 204 ASP204 -0.6478 3183 C 16.6040 23.7530 -0.7010 C.2 204 ASP204 0.2192 3184 O 15.5160 23.4440 -0.2640 O.2 204 ASP204 -0.2778 3185 N 17.5380 24.2890 0.0710 N.am 205 ILE205 -0.2454 3186 H 18.4570 24.4800 -0.3270 H 205 ILE205 0.1312 3187 CA 17.2910 24.6200 1.4910 C.3 205 ILE205 0.0906 3188 HA 16.6794 23.8075 1.8807 H 205 ILE205 0.0560 3189 CB 18.6407 24.6549 2.2501 C.3 205 ILE205 -0.0201 3190 HB 18.4445 24.9418 3.2822 H 205 ILE205 0.0318 3191 CG1 19.6283 25.6946 1.6768 C.3 205 ILE205 -0.0514 3192 HG11 19.1373 26.6646 1.5979 H 205 ILE205 0.0266 3193 HG12 19.9170 25.4225 0.6604 H 205 ILE205 0.0266 3194 CG2 19.2608 23.2481 2.2957 C.3 205 ILE205 -0.0605 3195 HG21 20.1365 23.2144 2.9431 H 205 ILE205 0.0233 3196 HG22 19.5685 22.9159 1.3035 H 205 ILE205 0.0233 3197 HG23 18.5495 22.5162 2.6807 H 205 ILE205 0.0233 3198 CD1 20.8873 25.8753 2.5340 C.3 205 ILE205 -0.0650 3199 HD11 21.5006 26.6902 2.1491 H 205 ILE205 0.0230 3200 HD12 21.5006 24.9749 2.5354 H 205 ILE205 0.0230 3201 HD13 20.6304 26.1119 3.5656 H 205 ILE205 0.0230 3202 C 16.5500 25.9320 1.5950 C.2 205 ILE205 0.2216 3203 O 16.6830 26.7690 0.7310 O.2 205 ILE205 -0.2776 3204 N 15.7620 26.1140 2.6670 N.am 206 PRO206 -0.2316 3205 CA 14.9830 27.3120 2.8220 C.3 206 PRO206 0.0907 3206 HA 14.5539 27.5996 1.8603 H 206 PRO206 0.0559 3207 CD 15.5661 25.1238 3.7271 C.3 206 PRO206 0.0071 3208 HD1 16.5176 24.9261 4.2173 H 206 PRO206 0.0431 3209 HD2 15.1609 24.2128 3.2848 H 206 PRO206 0.0431 3210 CB 13.9028 26.8838 3.8285 C.3 206 PRO206 -0.0276 3211 HB1 13.0481 26.4758 3.2935 H 206 PRO206 0.0285 3212 HB2 13.5245 27.7005 4.4452 H 206 PRO206 0.0285 3213 CG 14.5491 25.7776 4.6605 C.3 206 PRO206 -0.0379 3214 HG1 15.0755 26.2164 5.5050 H 206 PRO206 0.0278 3215 HG2 13.8222 25.0664 5.0538 H 206 PRO206 0.0278 3216 C 15.7510 28.4720 3.3870 C.2 206 PRO206 0.2189 3217 O 15.4340 29.6220 3.0880 O.2 206 PRO206 -0.2778 3218 N 16.7070 28.1840 4.2440 N.am 207 PHE207 -0.2453 3219 H 16.9470 27.2080 4.4180 H 207 PHE207 0.1312 3220 CA 17.4290 29.2370 4.9500 C.3 207 PHE207 0.0917 3221 HA 17.1023 30.2211 4.6091 H 207 PHE207 0.0560 3222 CB 17.1963 29.0724 6.4686 C.3 207 PHE207 -0.0036 3223 HB1 17.6182 29.9182 7.0074 H 207 PHE207 0.0333 3224 HB2 17.7289 28.1909 6.8306 H 207 PHE207 0.0333 3225 CG 15.7476 28.9348 6.8658 C.ar 207 PHE207 -0.0454 3226 CD1 14.8049 29.8839 6.4841 C.ar 207 PHE207 -0.0585 3227 HD1 15.0995 30.7306 5.8828 H 207 PHE207 0.0620 3228 CD2 15.3366 27.8621 7.6534 C.ar 207 PHE207 -0.0585 3229 HD2 16.0547 27.1210 7.9731 H 207 PHE207 0.0620 3230 CE1 13.4771 29.7548 6.8684 C.ar 207 PHE207 -0.0615 3231 HE1 12.7591 30.5062 6.5790 H 207 PHE207 0.0618 3232 CE2 14.0051 27.7208 8.0211 C.ar 207 PHE207 -0.0615 3233 HE2 13.6927 26.8748 8.6141 H 207 PHE207 0.0618 3234 CZ 13.0752 28.6732 7.6376 C.ar 207 PHE207 -0.0617 3235 HZ 12.0439 28.5785 7.9429 H 207 PHE207 0.0618 3236 C 18.9030 29.0830 4.6950 C.2 207 PHE207 0.2190 3237 O 19.4700 27.9930 4.8570 O.2 207 PHE207 -0.2778 3238 N 19.5270 30.1830 4.3560 N.am 208 GLU208 -0.2456 3239 H 19.0380 31.0780 4.3870 H 208 GLU208 0.1312 3240 CA 20.8980 30.1290 3.9410 C.3 208 GLU208 0.0883 3241 HA 21.2236 29.1029 3.7578 H 208 GLU208 0.0557 3242 CB 20.9213 30.9197 2.6017 C.3 208 GLU208 -0.0193 3243 HB1 20.2198 31.7548 2.6564 H 208 GLU208 0.0290 3244 HB2 20.5009 30.2644 1.8382 H 208 GLU208 0.0290 3245 CG 22.2763 31.4611 2.0742 C.3 208 GLU208 0.0356 3246 HG1 22.2454 31.4889 0.9857 H 208 GLU208 0.0374 3247 HG2 23.1068 30.8064 2.3334 H 208 GLU208 0.0374 3248 CD 22.5754 32.9115 2.5258 C.2 208 GLU208 0.1760 3249 OE1 21.8241 33.8129 2.1643 O.co2 208 GLU208 -0.6478 3250 OE2 23.5526 33.1442 3.2315 O.co2 208 GLU208 -0.6478 3251 C 21.8700 30.7520 4.9280 C.2 208 GLU208 0.2187 3252 O 23.0760 30.5820 4.7700 O.2 208 GLU208 -0.2778 3253 N 21.3550 31.5080 5.8800 N.am 209 ARG209 -0.2457 3254 H 20.3480 31.6710 5.8830 H 209 ARG209 0.1312 3255 CA 22.1650 32.1200 6.9270 C.3 209 ARG209 0.0879 3256 HA 23.0149 31.4623 7.1191 H 209 ARG209 0.0557 3257 CB 22.6574 33.5159 6.4939 C.3 209 ARG209 -0.0258 3258 HB1 23.2572 33.4341 5.5917 H 209 ARG209 0.0286 3259 HB2 23.3538 33.8783 7.2507 H 209 ARG209 0.0286 3260 CG 21.5507 34.5754 6.3064 C.3 209 ARG209 -0.0154 3261 HG1 21.9688 35.5378 6.5946 H 209 ARG209 0.0299 3262 HG2 20.7232 34.4005 6.9930 H 209 ARG209 0.0299 3263 CD 21.0096 34.6865 4.8699 C.3 209 ARG209 0.1045 3264 HD1 20.8302 33.6953 4.4516 H 209 ARG209 0.0711 3265 HD2 21.7045 35.1987 4.2011 H 209 ARG209 0.0711 3266 NE 19.7128 35.3678 4.8266 N.pl3 209 ARG209 -0.4450 3267 HE 18.9361 34.9206 4.3693 H 209 ARG209 0.3153 3268 CZ 19.3984 36.5498 5.3330 C.cat 209 ARG209 0.5062 3269 NH1 20.3155 37.3309 5.8248 N.pl3 209 ARG209 -0.4573 3270 HH11 20.0594 38.1821 6.2780 H 209 ARG209 0.3114 3271 HH12 21.2604 37.0380 5.7286 H 209 ARG209 0.3114 3272 NH2 18.1592 36.9399 5.3478 N.pl3 209 ARG209 -0.4573 3273 HH21 17.8538 37.7974 5.7395 H 209 ARG209 0.3114 3274 HH22 17.4620 36.3209 4.9477 H 209 ARG209 0.3114 3275 C 21.3640 32.2370 8.2430 C.2 209 ARG209 0.2187 3276 O 20.1750 31.9090 8.2880 O.2 209 ARG209 -0.2778 3277 N 22.0360 32.6940 9.3000 N.am 210 ASP210 -0.2451 3278 H 22.9870 33.0360 9.1630 H 210 ASP210 0.1312 3279 CA 21.4760 32.7250 10.6280 C.3 210 ASP210 0.0974 3280 HA 21.1746 31.6987 10.8466 H 210 ASP210 0.0563 3281 CB 22.5401 33.1508 11.6608 C.3 210 ASP210 0.0576 3282 HB1 22.0655 33.4015 12.6094 H 210 ASP210 0.0394 3283 HB2 23.0671 34.0427 11.3259 H 210 ASP210 0.0394 3284 CG 23.5850 32.0469 11.9592 C.2 210 ASP210 0.1780 3285 OD1 23.7218 31.0944 11.2013 O.co2 210 ASP210 -0.6478 3286 OD2 24.2724 32.1328 12.9711 O.co2 210 ASP210 -0.6478 3287 C 20.2040 33.5520 10.7240 C.2 210 ASP210 0.2192 3288 O 19.2020 33.0710 11.2300 O.2 210 ASP210 -0.2778 3289 N 20.2800 34.7860 10.2270 N.am 211 GLN211 -0.2456 3290 H 21.1680 35.0820 9.8220 H 211 GLN211 0.1312 3291 CA 19.1820 35.7380 10.2240 C.3 211 GLN211 0.0882 3292 HA 18.9430 35.9744 11.2604 H 211 GLN211 0.0557 3293 CB 19.5692 37.0066 9.4483 C.3 211 GLN211 -0.0210 3294 HB1 19.8843 36.7215 8.4444 H 211 GLN211 0.0289 3295 HB2 20.4334 37.4712 9.9232 H 211 GLN211 0.0289 3296 CG 18.4110 38.0231 9.3662 C.3 211 GLN211 0.0225 3297 HG1 18.1350 38.3717 10.3624 H 211 GLN211 0.0356 3298 HG2 17.5173 37.5730 8.9357 H 211 GLN211 0.0356 3299 CD 18.7437 39.2284 8.4827 C.2 211 GLN211 0.1981 3300 OE1 19.7637 39.2910 7.8036 O.2 211 GLN211 -0.2798 3301 NE2 17.8003 40.1772 8.5399 N.am 211 GLN211 -0.2724 3302 HE21 17.8739 41.0389 8.0436 H 211 GLN211 0.1266 3303 HE22 16.9887 39.9951 9.1050 H 211 GLN211 0.1266 3304 C 17.9400 35.1300 9.5730 C.2 211 GLN211 0.2187 3305 O 16.8240 35.3820 10.0240 O.2 211 GLN211 -0.2778 3306 N 18.1270 34.3230 8.5300 N.am 212 GLU212 -0.2456 3307 H 19.0750 34.1300 8.2060 H 212 GLU212 0.1312 3308 CA 16.9890 33.7090 7.8420 C.3 212 GLU212 0.0883 3309 HA 16.2603 34.5031 7.6617 H 212 GLU212 0.0557 3310 CB 17.4653 33.0840 6.5144 C.3 212 GLU212 -0.0193 3311 HB1 17.7557 32.0449 6.6575 H 212 GLU212 0.0290 3312 HB2 18.3846 33.5687 6.1885 H 212 GLU212 0.0290 3313 CG 16.4120 33.1783 5.3955 C.3 212 GLU212 0.0356 3314 HG1 15.4076 32.9806 5.7694 H 212 GLU212 0.0374 3315 HG2 16.6180 32.4561 4.6065 H 212 GLU212 0.0374 3316 CD 16.4533 34.5784 4.7790 C.2 212 GLU212 0.1760 3317 OE1 17.1336 34.7772 3.7823 O.co2 212 GLU212 -0.6478 3318 OE2 15.8303 35.4909 5.2988 O.co2 212 GLU212 -0.6478 3319 C 16.3600 32.6550 8.7130 C.2 212 GLU212 0.2187 3320 O 15.1420 32.5350 8.7330 O.2 212 GLU212 -0.2778 3321 N 17.2050 31.9040 9.4210 N.am 213 ILE213 -0.2454 3322 H 18.2070 32.0570 9.3090 H 213 ILE213 0.1312 3323 CA 16.7580 30.8820 10.3410 C.3 213 ILE213 0.0903 3324 HA 16.0699 30.2528 9.7737 H 213 ILE213 0.0560 3325 CB 17.9385 30.0004 10.8363 C.3 213 ILE213 -0.0201 3326 HB 18.6539 30.6514 11.3396 H 213 ILE213 0.0318 3327 CG1 18.6744 29.3148 9.6683 C.3 213 ILE213 -0.0514 3328 HG11 18.8576 30.0310 8.8724 H 213 ILE213 0.0266 3329 HG12 18.0402 28.5424 9.2331 H 213 ILE213 0.0266 3330 CG2 17.4752 28.9332 11.8529 C.3 213 ILE213 -0.0605 3331 HG21 18.2897 28.2809 12.1629 H 213 ILE213 0.0233 3332 HG22 16.7004 28.2989 11.4252 H 213 ILE213 0.0233 3333 HG23 17.0744 29.3808 12.7620 H 213 ILE213 0.0233 3334 CD1 20.0279 28.7105 10.0671 C.3 213 ILE213 -0.0650 3335 HD11 20.5676 28.3670 9.1856 H 213 ILE213 0.0230 3336 HD12 19.9130 27.8566 10.7347 H 213 ILE213 0.0230 3337 HD13 20.6575 29.4464 10.5677 H 213 ILE213 0.0230 3338 C 15.9820 31.4300 11.5050 C.2 213 ILE213 0.2189 3339 O 14.9850 30.8640 11.8850 O.2 213 ILE213 -0.2778 3340 N 16.4460 32.5230 12.0840 N.am 214 LEU214 -0.2456 3341 H 17.2480 33.0110 11.6850 H 214 LEU214 0.1312 3342 CA 15.8030 33.0380 13.3100 C.3 214 LEU214 0.0880 3343 HA 15.5102 32.1609 13.8822 H 214 LEU214 0.0557 3344 CB 16.8341 33.7642 14.1888 C.3 214 LEU214 -0.0266 3345 HB1 17.6993 33.1046 14.2679 H 214 LEU214 0.0287 3346 HB2 16.4505 33.8493 15.2058 H 214 LEU214 0.0287 3347 CG 17.2947 35.1459 13.6938 C.3 214 LEU214 -0.0449 3348 HG 17.1295 35.2131 12.6176 H 214 LEU214 0.0296 3349 CD1 16.4968 36.2644 14.3781 C.3 214 LEU214 -0.0626 3350 HD11 16.8279 37.2450 14.0354 H 214 LEU214 0.0232 3351 HD12 16.6183 36.2356 15.4604 H 214 LEU214 0.0232 3352 HD13 15.4323 36.1840 14.1580 H 214 LEU214 0.0232 3353 CD2 18.7962 35.3458 13.9444 C.3 214 LEU214 -0.0626 3354 HD21 19.1230 36.3238 13.5906 H 214 LEU214 0.0232 3355 HD22 19.3853 34.5917 13.4223 H 214 LEU214 0.0232 3356 HD23 19.0312 35.2789 15.0066 H 214 LEU214 0.0232 3357 C 14.4710 33.7920 13.0470 C.2 214 LEU214 0.2187 3358 O 13.5720 33.6880 13.8650 O.2 214 LEU214 -0.2778 3359 N 14.3380 34.4810 11.9050 N.am 215 GLU215 -0.2456 3360 H 15.1790 34.7080 11.3740 H 215 GLU215 0.1312 3361 CA 13.0200 34.9320 11.3740 C.3 215 GLU215 0.0883 3362 HA 12.5237 35.4595 12.1887 H 215 GLU215 0.0557 3363 CB 13.2814 35.9192 10.2049 C.3 215 GLU215 -0.0193 3364 HB1 12.4023 35.9280 9.5583 H 215 GLU215 0.0290 3365 HB2 14.0939 35.5594 9.5713 H 215 GLU215 0.0290 3366 CG 13.5209 37.3953 10.6177 C.3 215 GLU215 0.0356 3367 HG1 12.9677 37.6355 11.5240 H 215 GLU215 0.0374 3368 HG2 13.1107 38.0412 9.8414 H 215 GLU215 0.0374 3369 CD 14.9901 37.8325 10.8241 C.2 215 GLU215 0.1760 3370 OE1 15.4861 38.6556 10.0507 O.co2 215 GLU215 -0.6478 3371 OE2 15.6277 37.3649 11.7612 O.co2 215 GLU215 -0.6478 3372 C 12.0760 33.7980 10.9390 C.2 215 GLU215 0.2187 3373 O 10.8490 33.9140 11.0300 O.2 215 GLU215 -0.2778 3374 N 12.6560 32.7310 10.4020 N.am 216 ALA216 -0.2459 3375 H 13.6700 32.6380 10.4580 H 216 ALA216 0.1312 3376 CA 11.8880 31.6910 9.7370 C.3 216 ALA216 0.0850 3377 HA 12.6262 31.1054 9.1927 H 216 ALA216 0.0554 3378 CB 11.1674 30.8094 10.7662 C.3 216 ALA216 -0.0411 3379 HB1 10.6995 29.9476 10.2900 H 216 ALA216 0.0249 3380 HB2 10.3913 31.3669 11.2899 H 216 ALA216 0.0249 3381 HB3 11.8702 30.4388 11.5122 H 216 ALA216 0.0249 3382 C 10.9240 32.3120 8.7120 C.2 216 ALA216 0.2184 3383 O 9.7690 31.9070 8.6060 O.2 216 ALA216 -0.2778 3384 N 11.4170 33.2950 7.9620 N.am 217 GLU217 -0.2456 3385 H 12.2750 33.7620 8.2570 H 217 GLU217 0.1312 3386 CA 10.7630 33.7240 6.7270 C.3 217 GLU217 0.0883 3387 HA 9.7631 33.5522 7.0759 H 217 GLU217 0.0557 3388 CB 10.4361 35.1793 6.3812 C.3 217 GLU217 -0.0193 3389 HB1 11.2813 35.6325 5.8633 H 217 GLU217 0.0290 3390 HB2 10.3101 35.7392 7.3089 H 217 GLU217 0.0290 3391 CG 9.1326 35.3281 5.5210 C.3 217 GLU217 0.0356 3392 HG1 9.3589 34.9699 4.5198 H 217 GLU217 0.0374 3393 HG2 8.8938 36.3848 5.4127 H 217 GLU217 0.0374 3394 CD 7.7990 34.5904 5.9254 C.2 217 GLU217 0.1760 3395 OE1 6.9139 34.4741 5.0857 O.co2 217 GLU217 -0.6478 3396 OE2 7.6049 34.1111 7.0438 O.co2 217 GLU217 -0.6478 3397 C 10.8260 32.5790 5.6870 C.2 217 GLU217 0.2187 3398 O 11.8930 32.2760 5.1470 O.2 217 GLU217 -0.2778 3399 N 9.6800 31.9350 5.4590 N.am 218 LEU218 -0.2456 3400 H 8.8590 32.2100 5.9980 H 218 LEU218 0.1312 3401 CA 9.5330 30.8610 4.4840 C.3 218 LEU218 0.0880 3402 HA 10.5398 30.5470 4.2034 H 218 LEU218 0.0557 3403 CB 8.8112 29.6396 5.0631 C.3 218 LEU218 -0.0266 3404 HB1 8.4370 29.0082 4.2584 H 218 LEU218 0.0287 3405 HB2 7.9420 29.9741 5.6151 H 218 LEU218 0.0287 3406 CG 9.7306 28.7958 5.9652 C.3 218 LEU218 -0.0449 3407 HG 10.3664 29.4763 6.5338 H 218 LEU218 0.0296 3408 CD1 8.9319 27.9815 6.9859 C.3 218 LEU218 -0.0626 3409 HD11 9.6001 27.3998 7.6192 H 218 LEU218 0.0232 3410 HD12 8.2360 27.2959 6.5013 H 218 LEU218 0.0232 3411 HD13 8.3698 28.6443 7.6400 H 218 LEU218 0.0232 3412 CD2 10.6336 27.8747 5.1292 C.3 218 LEU218 -0.0626 3413 HD21 11.3084 27.3006 5.7630 H 218 LEU218 0.0232 3414 HD22 11.2497 28.4431 4.4328 H 218 LEU218 0.0232 3415 HD23 10.0443 27.1649 4.5476 H 218 LEU218 0.0232 3416 C 8.9100 31.4200 3.2230 C.2 218 LEU218 0.2187 3417 O 7.8440 32.0450 3.2660 O.2 218 LEU218 -0.2778 3418 N 9.5710 31.2060 2.0960 N.am 219 HIS219 -0.2453 3419 H 10.4490 30.6870 2.1230 H 219 HIS219 0.1312 3420 CA 9.0730 31.6950 0.8200 C.3 219 HIS219 0.0932 3421 HA 8.0864 32.1514 0.9262 H 219 HIS219 0.0561 3422 ND1 9.4259 35.0065 0.9735 N.ar 219 HIS219 -0.2469 3423 CG 10.2129 33.9163 1.0951 C.ar 219 HIS219 0.0551 3424 CB 10.0851 32.6898 0.2234 C.3 219 HIS219 0.0146 3425 HB1 9.7745 33.0041 -0.7735 H 219 HIS219 0.0348 3426 HB2 11.0725 32.2364 0.1238 H 219 HIS219 0.0348 3427 NE2 10.9320 35.4087 2.5699 N.ar 219 HIS219 -0.2539 3428 HE2 11.4267 35.8602 3.2866 H 219 HIS219 0.1339 3429 CD2 11.1662 34.1645 2.0974 C.ar 219 HIS219 0.0047 3430 HD2 11.9446 33.4924 2.4299 H 219 HIS219 0.0764 3431 CE1 9.8686 35.8806 1.8941 C.ar 219 HIS219 0.0737 3432 HE1 9.4175 36.8453 2.0766 H 219 HIS219 0.0963 3433 C 8.9910 30.4830 -0.0680 C.2 219 HIS219 0.2191 3434 O 10.0040 30.0310 -0.6080 O.2 219 HIS219 -0.2778 3435 N 7.7870 29.9400 -0.1870 N.am 220 PHE220 -0.2453 3436 H 6.9820 30.4290 0.2050 H 220 PHE220 0.1312 3437 CA 7.5820 28.6630 -0.8630 C.3 220 PHE220 0.0920 3438 HA 8.4281 28.0381 -0.5875 H 220 PHE220 0.0560 3439 CB 6.2850 28.0042 -0.3597 C.3 220 PHE220 -0.0036 3440 HB1 6.0103 27.1672 -1.0057 H 220 PHE220 0.0333 3441 HB2 5.4538 28.7088 -0.4118 H 220 PHE220 0.0333 3442 CG 6.4126 27.4752 1.0458 C.ar 220 PHE220 -0.0454 3443 CD1 6.8400 26.1688 1.2623 C.ar 220 PHE220 -0.0585 3444 HD1 7.0985 25.5408 0.4220 H 220 PHE220 0.0620 3445 CD2 6.0722 28.2621 2.1422 C.ar 220 PHE220 -0.0585 3446 HD2 5.7387 29.2787 1.9911 H 220 PHE220 0.0620 3447 CE1 6.9240 25.6549 2.5489 C.ar 220 PHE220 -0.0615 3448 HE1 7.2450 24.6351 2.6990 H 220 PHE220 0.0618 3449 CE2 6.1481 27.7471 3.4308 C.ar 220 PHE220 -0.0615 3450 HE2 5.8829 28.3676 4.2728 H 220 PHE220 0.0618 3451 CZ 6.5766 26.4426 3.6361 C.ar 220 PHE220 -0.0617 3452 HZ 6.6358 26.0346 4.6346 H 220 PHE220 0.0618 3453 C 7.4800 28.8670 -2.3520 C.2 220 PHE220 0.2217 3454 O 6.6660 29.6630 -2.8060 O.2 220 PHE220 -0.2776 3455 N 8.2970 28.1360 -3.1170 N.am 221 PRO221 -0.2316 3456 CA 8.1330 28.2060 -4.5740 C.3 221 PRO221 0.0907 3457 HA 8.3004 29.2425 -4.8720 H 221 PRO221 0.0559 3458 CD 9.3336 27.2043 -2.6768 C.3 221 PRO221 0.0071 3459 HD1 8.9503 26.5427 -1.8993 H 221 PRO221 0.0431 3460 HD2 10.1759 27.7951 -2.3133 H 221 PRO221 0.0431 3461 CB 9.2430 27.2951 -5.1149 C.3 221 PRO221 -0.0276 3462 HB1 10.0913 27.9119 -5.4134 H 221 PRO221 0.0285 3463 HB2 8.9466 26.7118 -5.9877 H 221 PRO221 0.0285 3464 CG 9.6678 26.4121 -3.9426 C.3 221 PRO221 -0.0379 3465 HG1 9.0839 25.4923 -3.9591 H 221 PRO221 0.0278 3466 HG2 10.7199 26.1294 -3.9895 H 221 PRO221 0.0278 3467 C 6.7360 27.7950 -4.9950 C.2 221 PRO221 0.2189 3468 O 6.0460 27.0940 -4.2820 O.2 221 PRO221 -0.2778 3469 N 6.3410 28.2180 -6.1800 N.am 222 ALA222 -0.2459 3470 H 7.0030 28.7080 -6.7810 H 222 ALA222 0.1312 3471 CA 4.9830 28.0010 -6.6470 C.3 222 ALA222 0.0850 3472 HA 4.3469 28.6467 -6.0393 H 222 ALA222 0.0554 3473 CB 4.8968 28.4207 -8.1192 C.3 222 ALA222 -0.0411 3474 HB1 3.8768 28.3362 -8.4961 H 222 ALA222 0.0249 3475 HB2 5.5386 27.8019 -8.7479 H 222 ALA222 0.0249 3476 HB3 5.2092 29.4574 -8.2451 H 222 ALA222 0.0249 3477 C 4.4710 26.5610 -6.4830 C.2 222 ALA222 0.2184 3478 O 3.3930 26.3530 -5.9340 O.2 222 ALA222 -0.2778 3479 N 5.2500 25.5640 -6.8860 N.am 223 HIS223 -0.2453 3480 H 6.2150 25.7540 -7.1570 H 223 HIS223 0.1312 3481 CA 4.7270 24.1740 -6.9450 C.3 223 HIS223 0.0932 3482 HA 3.7576 24.2272 -7.4441 H 223 HIS223 0.0561 3483 ND1 5.0286 24.4200 -9.9902 N.ar 223 HIS223 -0.2469 3484 CG 5.9764 24.0302 -9.1110 C.ar 223 HIS223 0.0551 3485 CB 5.6858 23.3315 -7.8012 C.3 223 HIS223 0.0146 3486 HB1 5.2594 22.3500 -8.0119 H 223 HIS223 0.0348 3487 HB2 6.6267 23.1690 -7.2742 H 223 HIS223 0.0348 3488 NE2 7.0126 25.0383 -10.7975 N.ar 223 HIS223 -0.2539 3489 HE2 7.6887 25.4206 -11.3948 H 223 HIS223 0.1339 3490 CD2 7.2289 24.4191 -9.6141 C.ar 223 HIS223 0.0047 3491 HD2 8.1835 24.2551 -9.1362 H 223 HIS223 0.0764 3492 CE1 5.6818 25.0220 -10.9977 C.ar 223 HIS223 0.0737 3493 HE1 5.1898 25.4415 -11.8641 H 223 HIS223 0.0963 3494 C 4.5070 23.4330 -5.6010 C.2 223 HIS223 0.2190 3495 O 4.0330 22.2920 -5.5720 O.2 223 HIS223 -0.2778 3496 N 4.7940 24.0570 -4.4780 N.am 224 VAL224 -0.2454 3497 H 5.1570 25.0100 -4.4770 H 224 VAL224 0.1312 3498 CA 4.5730 23.3330 -3.2430 C.3 224 VAL224 0.0901 3499 HA 4.8512 22.2836 -3.3738 H 224 VAL224 0.0560 3500 CB 5.4332 23.9390 -2.1105 C.3 224 VAL224 -0.0227 3501 HB 5.0639 24.9429 -1.8936 H 224 VAL224 0.0315 3502 CG1 5.3297 23.1014 -0.8252 C.3 224 VAL224 -0.0608 3503 HG11 5.9283 23.5258 -0.0201 H 224 VAL224 0.0233 3504 HG12 5.6800 22.0840 -0.9988 H 224 VAL224 0.0233 3505 HG13 4.3029 23.0388 -0.4680 H 224 VAL224 0.0233 3506 CG2 6.9079 24.0771 -2.5211 C.3 224 VAL224 -0.0608 3507 HG21 7.5063 24.4765 -1.7026 H 224 VAL224 0.0233 3508 HG22 7.0258 24.7560 -3.3648 H 224 VAL224 0.0233 3509 HG23 7.3316 23.1122 -2.8018 H 224 VAL224 0.0233 3510 C 3.0780 23.4300 -2.9130 C.2 224 VAL224 0.2190 3511 O 2.5200 24.5030 -2.9380 O.2 224 VAL224 -0.2778 3512 N 2.4300 22.3060 -2.6360 N.am 225 SER225 -0.2436 3513 H 2.9380 21.4220 -2.6290 H 225 SER225 0.1312 3514 CA 0.9990 22.3170 -2.3410 C.3 225 SER225 0.1111 3515 HA 0.5721 22.9433 -3.1196 H 225 SER225 0.0580 3516 CB 0.4117 20.8947 -2.4521 C.3 225 SER225 0.0681 3517 HB1 0.7864 20.4023 -3.3609 H 225 SER225 0.0577 3518 HB2 -0.6643 20.9506 -2.6030 H 225 SER225 0.0577 3519 OG 0.6017 20.1062 -1.2832 O.3 225 SER225 -0.3930 3520 HG 1.3792 19.5539 -1.3890 H 225 SER225 0.2095 3521 C 0.7640 22.9060 -0.9620 C.2 225 SER225 0.2236 3522 O 1.6870 22.9430 -0.1400 O.2 225 SER225 -0.2775 3523 N -0.4730 23.3520 -0.7080 N.am 226 PRO226 -0.2315 3524 CA -0.8990 23.8790 0.5820 C.3 226 PRO226 0.0907 3525 HA -0.2960 24.7682 0.7651 H 226 PRO226 0.0559 3526 CD -1.5589 23.3803 -1.6956 C.3 226 PRO226 0.0071 3527 HD1 -1.9923 22.3804 -1.7347 H 226 PRO226 0.0431 3528 HD2 -1.2225 23.7065 -2.6771 H 226 PRO226 0.0431 3529 CB -2.3802 24.2411 0.3875 C.3 226 PRO226 -0.0276 3530 HB1 -2.6643 25.1423 0.9304 H 226 PRO226 0.0285 3531 HB2 -3.0364 23.4356 0.7263 H 226 PRO226 0.0285 3532 CG -2.5490 24.3842 -1.1156 C.3 226 PRO226 -0.0379 3533 HG1 -3.5724 24.2042 -1.4454 H 226 PRO226 0.0278 3534 HG2 -2.2670 25.3924 -1.4203 H 226 PRO226 0.0278 3535 C -0.7480 22.9300 1.7320 C.2 226 PRO226 0.2189 3536 O -0.3570 23.3590 2.8130 O.2 226 PRO226 -0.2778 3537 N -1.0740 21.6610 1.5180 N.am 227 ASP227 -0.2451 3538 H -1.4730 21.3930 0.6180 H 227 ASP227 0.1312 3539 CA -0.8730 20.6400 2.5440 C.3 227 ASP227 0.0974 3540 HA -1.3611 20.9947 3.4538 H 227 ASP227 0.0563 3541 CB -1.5378 19.3382 2.0796 C.3 227 ASP227 0.0576 3542 HB1 -1.3108 18.5129 2.7536 H 227 ASP227 0.0394 3543 HB2 -1.1930 19.0643 1.0836 H 227 ASP227 0.0394 3544 CG -3.0622 19.5146 2.0327 C.2 227 ASP227 0.1780 3545 OD1 -3.7146 19.2508 3.0404 O.co2 227 ASP227 -0.6478 3546 OD2 -3.5813 19.9146 0.9920 O.co2 227 ASP227 -0.6478 3547 C 0.6230 20.4500 2.8620 C.2 227 ASP227 0.2192 3548 O 1.0010 20.1570 4.0020 O.2 227 ASP227 -0.2778 3549 N 1.4630 20.5520 1.8340 N.am 228 CYS228 -0.2449 3550 H 1.0930 20.7520 0.9050 H 228 CYS228 0.1312 3551 CA 2.8940 20.3840 2.0090 C.3 228 CYS228 0.0965 3552 HA 3.0446 19.4946 2.6235 H 228 CYS228 0.0565 3553 CB 3.5893 20.1787 0.6651 C.3 228 CYS228 0.0147 3554 HB1 3.3366 20.9823 -0.0261 H 228 CYS228 0.0394 3555 HB2 3.2128 19.2604 0.2276 H 228 CYS228 0.0394 3556 SG 5.3928 20.0286 0.7657 S.3 228 CYS228 -0.1762 3557 HG 5.8637 19.8769 -0.4749 H 228 CYS228 0.1017 3558 C 3.4880 21.5770 2.7550 C.2 228 CYS228 0.2195 3559 O 4.1900 21.4010 3.7140 O.2 228 CYS228 -0.2778 3560 N 3.1650 22.7730 2.3250 N.am 229 CYS229 -0.2448 3561 H 2.6420 22.8470 1.4530 H 229 CYS229 0.1312 3562 CA 3.5110 23.9910 3.0210 C.3 229 CYS229 0.0965 3563 HA 4.5969 24.0692 2.9847 H 229 CYS229 0.0565 3564 CB 2.8621 25.1824 2.3020 C.3 229 CYS229 0.0147 3565 HB1 3.0256 26.0930 2.8787 H 229 CYS229 0.0394 3566 HB2 1.7822 25.0386 2.2420 H 229 CYS229 0.0394 3567 SG 3.4964 25.4749 0.6310 S.3 229 CYS229 -0.1762 3568 HG 3.0051 24.5532 -0.2061 H 229 CYS229 0.1017 3569 C 3.0740 23.9790 4.5100 C.2 229 CYS229 0.2195 3570 O 3.8220 24.4320 5.3680 O.2 229 CYS229 -0.2778 3571 N 1.8650 23.4900 4.7830 N.am 230 ALA230 -0.2459 3572 H 1.3120 23.0990 4.0200 H 230 ALA230 0.1312 3573 CA 1.3040 23.4910 6.1150 C.3 230 ALA230 0.0850 3574 HA 1.3310 24.5147 6.4891 H 230 ALA230 0.0554 3575 CB -0.1357 22.9643 6.0504 C.3 230 ALA230 -0.0411 3576 HB1 -0.5901 22.9202 7.0405 H 230 ALA230 0.0249 3577 HB2 -0.1790 21.9635 5.6177 H 230 ALA230 0.0249 3578 HB3 -0.7562 23.6106 5.4299 H 230 ALA230 0.0249 3579 C 2.1580 22.6250 6.9760 C.2 230 ALA230 0.2184 3580 O 2.6050 23.0960 7.9970 O.2 230 ALA230 -0.2778 3581 N 2.4120 21.3820 6.5570 N.am 231 LEU231 -0.2457 3582 H 1.9760 21.0410 5.7000 H 231 LEU231 0.1312 3583 CA 3.2990 20.5110 7.3030 C.3 231 LEU231 0.0880 3584 HA 2.8498 20.3351 8.2809 H 231 LEU231 0.0557 3585 CB 3.3367 19.1757 6.5219 C.3 231 LEU231 -0.0266 3586 HB1 3.3316 19.4085 5.4554 H 231 LEU231 0.0287 3587 HB2 2.4048 18.6377 6.7044 H 231 LEU231 0.0287 3588 CG 4.5346 18.2327 6.7748 C.3 231 LEU231 -0.0449 3589 HG 5.4512 18.7720 6.5392 H 231 LEU231 0.0296 3590 CD1 4.6364 17.7366 8.2212 C.3 231 LEU231 -0.0626 3591 HD11 5.6227 17.3172 8.4182 H 231 LEU231 0.0232 3592 HD12 3.9124 16.9452 8.4037 H 231 LEU231 0.0232 3593 HD13 4.4602 18.5281 8.9486 H 231 LEU231 0.0232 3594 CD2 4.4563 17.0340 5.8256 C.3 231 LEU231 -0.0626 3595 HD21 5.3148 16.3734 5.9418 H 231 LEU231 0.0232 3596 HD22 4.4221 17.3681 4.7893 H 231 LEU231 0.0232 3597 HD23 3.5579 16.4461 6.0174 H 231 LEU231 0.0232 3598 C 4.7350 21.0770 7.5150 C.2 231 LEU231 0.2187 3599 O 5.3440 20.8690 8.5840 O.2 231 LEU231 -0.2778 3600 N 5.2790 21.7390 6.4960 N.am 232 ILE232 -0.2454 3601 H 4.7360 21.8820 5.6440 H 232 ILE232 0.1312 3602 CA 6.6340 22.2620 6.5760 C.3 232 ILE232 0.0903 3603 HA 7.2679 21.4683 6.9773 H 232 ILE232 0.0560 3604 CB 7.1486 22.6799 5.1815 C.3 232 ILE232 -0.0201 3605 HB 6.3865 23.3078 4.7171 H 232 ILE232 0.0318 3606 CG1 7.3661 21.4419 4.2872 C.3 232 ILE232 -0.0514 3607 HG11 6.5220 20.7588 4.3818 H 232 ILE232 0.0266 3608 HG12 8.2385 20.8886 4.6371 H 232 ILE232 0.0266 3609 CG2 8.4522 23.4933 5.2880 C.3 232 ILE232 -0.0605 3610 HG21 8.8495 23.7368 4.3088 H 232 ILE232 0.0233 3611 HG22 9.2218 22.9374 5.8255 H 232 ILE232 0.0233 3612 HG23 8.2963 24.4400 5.8044 H 232 ILE232 0.0233 3613 CD1 7.5386 21.7726 2.7994 C.3 232 ILE232 -0.0650 3614 HD11 7.6660 20.8599 2.2176 H 232 ILE232 0.0230 3615 HD12 8.4142 22.3937 2.6173 H 232 ILE232 0.0230 3616 HD13 6.6629 22.2920 2.4088 H 232 ILE232 0.0230 3617 C 6.6340 23.4110 7.5810 C.2 232 ILE232 0.2189 3618 O 7.5270 23.4550 8.4100 O.2 232 ILE232 -0.2778 3619 N 5.6460 24.3100 7.5000 N.am 233 ARG233 -0.2456 3620 H 4.9520 24.2170 6.7580 H 233 ARG233 0.1312 3621 CA 5.5300 25.4320 8.4520 C.3 233 ARG233 0.0879 3622 HA 6.4920 25.9447 8.3932 H 233 ARG233 0.0557 3623 CB 4.4347 26.4613 8.0703 C.3 233 ARG233 -0.0258 3624 HB1 4.0087 26.9200 8.9638 H 233 ARG233 0.0286 3625 HB2 3.6100 25.9110 7.6143 H 233 ARG233 0.0286 3626 CG 4.8899 27.6005 7.1097 C.3 233 ARG233 -0.0154 3627 HG1 4.0388 27.8475 6.4742 H 233 ARG233 0.0299 3628 HG2 5.6583 27.2281 6.4330 H 233 ARG233 0.0299 3629 CD 5.3662 28.9240 7.7777 C.3 233 ARG233 0.1045 3630 HD1 6.3304 28.7997 8.2710 H 233 ARG233 0.0711 3631 HD2 4.6479 29.2574 8.5299 H 233 ARG233 0.0711 3632 NE 5.4628 30.0075 6.7786 N.pl3 233 ARG233 -0.4450 3633 HE 5.0207 29.9231 5.8891 H 233 ARG233 0.3153 3634 CZ 6.0917 31.1957 6.8797 C.cat 233 ARG233 0.5062 3635 NH1 6.7822 31.5754 7.9172 N.pl3 233 ARG233 -0.4573 3636 HH11 7.2037 32.4949 7.8489 H 233 ARG233 0.3114 3637 HH12 6.9131 31.0259 8.7308 H 233 ARG233 0.3114 3638 NH2 6.0316 32.0373 5.8897 N.pl3 233 ARG233 -0.4573 3639 HH21 6.4969 32.9369 5.9925 H 233 ARG233 0.3114 3640 HH22 5.5714 31.8805 5.0260 H 233 ARG233 0.3114 3641 C 5.4450 24.9570 9.8860 C.2 233 ARG233 0.2187 3642 O 5.9520 25.6250 10.7760 O.2 233 ARG233 -0.2778 3643 N 4.7970 23.8180 10.1030 N.am 234 ARG234 -0.2457 3644 H 4.4120 23.3020 9.3120 H 234 ARG234 0.1312 3645 CA 4.6280 23.2960 11.4450 C.3 234 ARG234 0.0879 3646 HA 4.2857 24.1089 12.0871 H 234 ARG234 0.0557 3647 CB 3.6499 22.0757 11.5219 C.3 234 ARG234 -0.0258 3648 HB1 3.4804 21.8532 12.5769 H 234 ARG234 0.0286 3649 HB2 4.1113 21.1717 11.1160 H 234 ARG234 0.0286 3650 CG 2.2842 22.2031 10.8308 C.3 234 ARG234 -0.0154 3651 HG1 2.3561 21.7923 9.8302 H 234 ARG234 0.0299 3652 HG2 2.0267 23.2572 10.7282 H 234 ARG234 0.0299 3653 CD 1.1270 21.4792 11.5464 C.3 234 ARG234 0.1045 3654 HD1 0.1806 21.7504 11.0744 H 234 ARG234 0.0711 3655 HD2 1.0712 21.8103 12.5836 H 234 ARG234 0.0711 3656 NE 1.1771 20.0105 11.4722 N.pl3 234 ARG234 -0.4450 3657 HE 1.3586 19.4377 10.6559 H 234 ARG234 0.3153 3658 CZ 0.9068 19.1913 12.4904 C.cat 234 ARG234 0.5062 3659 NH1 0.6760 19.6286 13.6929 N.pl3 234 ARG234 -0.4573 3660 HH11 0.4555 18.9242 14.3888 H 234 ARG234 0.3114 3661 HH12 0.7064 20.5809 13.9408 H 234 ARG234 0.3114 3662 NH2 0.8545 17.9127 12.3078 N.pl3 234 ARG234 -0.4573 3663 HH21 0.5744 17.3342 13.0791 H 234 ARG234 0.3114 3664 HH22 1.0782 17.5237 11.4069 H 234 ARG234 0.3114 3665 C 5.9190 22.7490 11.9610 C.2 234 ARG234 0.2187 3666 O 6.2770 23.0050 13.0760 O.2 234 ARG234 -0.2778 3667 N 6.6380 22.0090 11.1420 N.am 235 CYS235 -0.2449 3668 H 6.2520 21.7520 10.2330 H 235 CYS235 0.1312 3669 CA 7.9870 21.5450 11.5100 C.3 235 CYS235 0.0965 3670 HA 7.8866 20.9876 12.4425 H 235 CYS235 0.0565 3671 CB 8.5218 20.6162 10.4143 C.3 235 CYS235 0.0147 3672 HB1 9.5563 20.3425 10.6236 H 235 CYS235 0.0394 3673 HB2 8.5139 21.1314 9.4529 H 235 CYS235 0.0394 3674 SG 7.5579 19.0904 10.2649 S.3 235 CYS235 -0.1762 3675 HG 7.8663 18.4630 9.1274 H 235 CYS235 0.1017 3676 C 8.9670 22.7250 11.7560 C.2 235 CYS235 0.2195 3677 O 9.7900 22.6440 12.6830 O.2 235 CYS235 -0.2778 3678 N 8.8180 23.8270 11.0130 N.am 236 LEU236 -0.2456 3679 H 8.0680 23.8640 10.3230 H 236 LEU236 0.1312 3680 CA 9.7030 24.9770 11.1670 C.3 236 LEU236 0.0880 3681 HA 10.6034 24.6466 11.6770 H 236 LEU236 0.0557 3682 CB 10.0911 25.4688 9.7582 C.3 236 LEU236 -0.0266 3683 HB1 10.7547 26.3319 9.8349 H 236 LEU236 0.0287 3684 HB2 9.1909 25.8152 9.2490 H 236 LEU236 0.0287 3685 CG 10.7765 24.3908 8.8876 C.3 236 LEU236 -0.0449 3686 HG 10.1067 23.5364 8.7872 H 236 LEU236 0.0296 3687 CD1 11.0446 24.9118 7.4703 C.3 236 LEU236 -0.0626 3688 HD11 11.4913 24.1371 6.8453 H 236 LEU236 0.0232 3689 HD12 11.7284 25.7601 7.4871 H 236 LEU236 0.0232 3690 HD13 10.1226 25.2322 6.9871 H 236 LEU236 0.0232 3691 CD2 12.0843 23.8898 9.5143 C.3 236 LEU236 -0.0626 3692 HD21 12.5811 23.1749 8.8616 H 236 LEU236 0.0232 3693 HD22 11.9173 23.3870 10.4663 H 236 LEU236 0.0232 3694 HD23 12.7763 24.7137 9.6792 H 236 LEU236 0.0232 3695 C 9.1040 26.0680 12.0160 C.2 236 LEU236 0.2187 3696 O 9.3330 27.2500 11.7600 O.2 236 LEU236 -0.2778 3697 N 8.3000 25.6990 12.9980 N.am 237 ALA237 -0.2459 3698 H 8.0810 24.7120 13.1310 H 237 ALA237 0.1312 3699 CA 7.7230 26.7020 13.8960 C.3 237 ALA237 0.0852 3700 HA 7.2496 27.4589 13.2751 H 237 ALA237 0.0554 3701 CB 6.6723 26.0187 14.7803 C.3 237 ALA237 -0.0411 3702 HB1 6.2119 26.7284 15.4679 H 237 ALA237 0.0249 3703 HB2 7.1076 25.2129 15.3728 H 237 ALA237 0.0249 3704 HB3 5.8806 25.5837 14.1695 H 237 ALA237 0.0249 3705 C 8.8730 27.2240 14.7510 C.2 237 ALA237 0.2211 3706 O 9.6220 26.4270 15.2710 O.2 237 ALA237 -0.2776 3707 N 9.0420 28.5520 14.8550 N.am 238 PRO238 -0.2316 3708 CA 10.1200 29.1350 15.6910 C.3 238 PRO238 0.0907 3709 HA 11.0655 28.8426 15.2340 H 238 PRO238 0.0559 3710 CD 8.2561 29.5561 14.1412 C.3 238 PRO238 0.0071 3711 HD1 7.2797 29.6220 14.6223 H 238 PRO238 0.0431 3712 HD2 8.1624 29.2921 13.0870 H 238 PRO238 0.0431 3713 CB 9.8845 30.6481 15.5812 C.3 238 PRO238 -0.0276 3714 HB1 10.8176 31.2128 15.5733 H 238 PRO238 0.0285 3715 HB2 9.2857 31.0192 16.4143 H 238 PRO238 0.0285 3716 CG 9.0861 30.8319 14.2949 C.3 238 PRO238 -0.0379 3717 HG1 8.4767 31.7358 14.2990 H 238 PRO238 0.0278 3718 HG2 9.7817 30.9106 13.4589 H 238 PRO238 0.0278 3719 C 10.0690 28.6610 17.1480 C.2 238 PRO238 0.2189 3720 O 11.0880 28.3550 17.7470 O.2 238 PRO238 -0.2778 3721 N 8.8730 28.5880 17.6980 N.am 239 LYS239 -0.2456 3722 H 8.0540 28.8630 17.1560 H 239 LYS239 0.1312 3723 CA 8.7050 28.1230 19.0620 C.3 239 LYS239 0.0880 3724 HA 9.4144 28.6445 19.7000 H 239 LYS239 0.0557 3725 CB 7.2727 28.5354 19.4497 C.3 239 LYS239 -0.0289 3726 HB1 6.6111 28.2650 18.6252 H 239 LYS239 0.0285 3727 HB2 7.2247 29.6231 19.5134 H 239 LYS239 0.0285 3728 CG 6.7067 27.9261 20.7451 C.3 239 LYS239 -0.0496 3729 HG1 7.2801 28.2584 21.6111 H 239 LYS239 0.0266 3730 HG2 6.8122 26.8422 20.7112 H 239 LYS239 0.0266 3731 CD 5.2180 28.2833 20.9090 C.3 239 LYS239 -0.0278 3732 HD1 4.7499 28.2839 19.9247 H 239 LYS239 0.0282 3733 HD2 5.1177 29.3045 21.2787 H 239 LYS239 0.0282 3734 CE 4.4496 27.3062 21.8093 C.3 239 LYS239 0.1103 3735 HE1 4.6564 27.5061 22.8615 H 239 LYS239 0.0559 3736 HE2 4.7542 26.2804 21.5963 H 239 LYS239 0.0559 3737 NZ 3.0043 27.3666 21.5961 N.4 239 LYS239 -0.0749 3738 HZ1 2.5265 26.6702 22.2037 H 239 LYS239 0.2742 3739 HZ2 2.8010 27.1377 20.5995 H 239 LYS239 0.2742 3740 HZ3 2.6503 28.3210 21.8083 H 239 LYS239 0.2742 3741 C 8.8500 26.5870 19.0520 C.2 239 LYS239 0.2213 3742 O 8.0930 25.8990 18.4140 O.2 239 LYS239 -0.2776 3743 N 9.8360 26.0580 19.7660 N.am 240 PRO240 -0.2316 3744 CA 10.0630 24.6040 19.8590 C.3 240 PRO240 0.0907 3745 HA 10.3019 24.2594 18.8565 H 240 PRO240 0.0559 3746 CD 10.7985 26.8336 20.5505 C.3 240 PRO240 0.0071 3747 HD1 10.2903 27.1759 21.4528 H 240 PRO240 0.0431 3748 HD2 11.1973 27.6732 19.9854 H 240 PRO240 0.0431 3749 CB 11.2758 24.4630 20.7937 C.3 240 PRO240 -0.0276 3750 HB1 11.9792 23.7066 20.4434 H 240 PRO240 0.0285 3751 HB2 10.9793 24.1829 21.8060 H 240 PRO240 0.0285 3752 CG 11.9124 25.8419 20.8512 C.3 240 PRO240 -0.0379 3753 HG1 12.4248 26.0406 21.7921 H 240 PRO240 0.0278 3754 HG2 12.6446 25.9157 20.0571 H 240 PRO240 0.0278 3755 C 8.9060 23.7560 20.4130 C.2 240 PRO240 0.2190 3756 O 8.7070 22.6150 19.9620 O.2 240 PRO240 -0.2778 3757 N 8.1600 24.2940 21.3790 N.am 241 SER241 -0.2436 3758 H 8.3370 25.2570 21.6640 H 241 SER241 0.1312 3759 CA 7.0910 23.5380 22.0430 C.3 241 SER241 0.1109 3760 HA 7.4787 22.5345 22.2308 H 241 SER241 0.0580 3761 CB 6.7314 24.1838 23.3871 C.3 241 SER241 0.0681 3762 HB1 7.6053 24.0769 24.0429 H 241 SER241 0.0577 3763 HB2 5.9097 23.6294 23.8531 H 241 SER241 0.0577 3764 OG 6.3706 25.5565 23.2458 O.3 241 SER241 -0.3930 3765 HG 6.3455 25.9803 24.1029 H 241 SER241 0.2095 3766 C 5.9050 23.3810 21.1070 C.2 241 SER241 0.2210 3767 O 5.0720 22.5020 21.2730 O.2 241 SER241 -0.2777 3768 N 5.8690 24.2350 20.1000 N.am 242 SER242 -0.2435 3769 H 6.6370 24.8980 20.0010 H 242 SER242 0.1312 3770 CA 4.8080 24.2780 19.1410 C.3 242 SER242 0.1109 3771 HA 3.8999 23.9397 19.6437 H 242 SER242 0.0580 3772 CB 4.6012 25.7095 18.6064 C.3 242 SER242 0.0681 3773 HB1 4.5888 25.7535 17.5083 H 242 SER242 0.0577 3774 HB2 5.4578 26.3217 18.8812 H 242 SER242 0.0577 3775 OG 3.4277 26.3144 19.1505 O.3 242 SER242 -0.3930 3776 HG 2.6575 25.9311 18.7269 H 242 SER242 0.2095 3777 C 5.0280 23.2800 17.9630 C.2 242 SER242 0.2209 3778 O 4.2060 23.2140 17.0400 O.2 242 SER242 -0.2777 3779 N 6.1170 22.5030 17.9880 N.am 243 ARG243 -0.2456 3780 H 6.7500 22.5600 18.7860 H 243 ARG243 0.1312 3781 CA 6.4260 21.5690 16.8960 C.3 243 ARG243 0.0881 3782 HA 6.0563 22.0379 15.9840 H 243 ARG243 0.0557 3783 CB 7.9471 21.3836 16.7693 C.3 243 ARG243 -0.0258 3784 HB1 8.1593 20.6417 16.0010 H 243 ARG243 0.0286 3785 HB2 8.3523 20.9877 17.7018 H 243 ARG243 0.0286 3786 CG 8.6608 22.6940 16.4016 C.3 243 ARG243 -0.0154 3787 HG1 8.5001 23.4181 17.2015 H 243 ARG243 0.0299 3788 HG2 8.2130 23.1230 15.5041 H 243 ARG243 0.0299 3789 CD 10.1687 22.5289 16.1762 C.3 243 ARG243 0.1045 3790 HD1 10.3936 22.0789 15.2059 H 243 ARG243 0.0711 3791 HD2 10.5943 21.8991 16.9615 H 243 ARG243 0.0711 3792 NE 10.7777 23.8585 16.2255 N.pl3 243 ARG243 -0.4450 3793 HE 10.2927 24.6534 15.8609 H 243 ARG243 0.3153 3794 CZ 11.9601 24.1297 16.7663 C.cat 243 ARG243 0.5062 3795 NH1 12.7850 23.1908 17.1209 N.pl3 243 ARG243 -0.4573 3796 HH11 13.6088 23.4793 17.6219 H 243 ARG243 0.3114 3797 HH12 12.6221 22.2310 16.9168 H 243 ARG243 0.3114 3798 NH2 12.3067 25.3651 16.9617 N.pl3 243 ARG243 -0.4573 3799 HH21 13.1795 25.5366 17.4407 H 243 ARG243 0.3114 3800 HH22 11.7461 26.1339 16.6732 H 243 ARG243 0.3114 3801 C 5.7140 20.2560 17.1300 C.2 243 ARG243 0.2213 3802 O 5.6460 19.7910 18.2580 O.2 243 ARG243 -0.2776 3803 N 5.2310 19.6330 16.0540 N.am 244 PRO244 -0.2316 3804 CA 4.6290 18.3470 16.2200 C.3 244 PRO244 0.0907 3805 HA 3.8028 18.4158 16.9313 H 244 PRO244 0.0559 3806 CD 5.2914 20.1185 14.6748 C.3 244 PRO244 0.0071 3807 HD1 6.2855 20.5036 14.4444 H 244 PRO244 0.0431 3808 HD2 4.5348 20.8969 14.5678 H 244 PRO244 0.0431 3809 CB 4.1300 18.0178 14.8013 C.3 244 PRO244 -0.0276 3810 HB1 3.0860 18.3133 14.7092 H 244 PRO244 0.0285 3811 HB2 4.1876 16.9618 14.5431 H 244 PRO244 0.0285 3812 CG 4.9648 18.8748 13.8564 C.3 244 PRO244 -0.0379 3813 HG1 5.8868 18.3462 13.6108 H 244 PRO244 0.0278 3814 HG2 4.4486 19.1009 12.9227 H 244 PRO244 0.0278 3815 C 5.6620 17.3440 16.6880 C.2 244 PRO244 0.2190 3816 O 6.8400 17.4560 16.3730 O.2 244 PRO244 -0.2778 3817 N 5.2320 16.3670 17.4470 N.am 245 SER245 -0.2436 3818 H 4.3460 16.4610 17.9440 H 245 SER245 0.1312 3819 CA 6.0120 15.1520 17.5820 C.3 245 SER245 0.1109 3820 HA 7.0272 15.4321 17.8661 H 245 SER245 0.0580 3821 CB 5.3941 14.2504 18.6609 C.3 245 SER245 0.0681 3822 HB1 5.4621 14.7597 19.6265 H 245 SER245 0.0577 3823 HB2 5.9732 13.3222 18.7446 H 245 SER245 0.0577 3824 OG 4.0277 13.9810 18.3706 O.3 245 SER245 -0.3930 3825 HG 3.6865 13.3172 18.9666 H 245 SER245 0.2095 3826 C 6.0570 14.4380 16.2380 C.2 245 SER245 0.2209 3827 O 5.3700 14.8330 15.2570 O.2 245 SER245 -0.2777 3828 N 6.8470 13.3680 16.2190 N.am 246 LEU246 -0.2456 3829 H 7.3680 13.1350 17.0650 H 246 LEU246 0.1312 3830 CA 7.0050 12.5160 15.0560 C.3 246 LEU246 0.0880 3831 HA 7.2603 13.1564 14.2135 H 246 LEU246 0.0557 3832 CB 8.1101 11.4744 15.3185 C.3 246 LEU246 -0.0266 3833 HB1 8.2072 10.8103 14.4582 H 246 LEU246 0.0287 3834 HB2 7.7983 10.8398 16.1501 H 246 LEU246 0.0287 3835 CG 9.4903 12.0725 15.6553 C.3 246 LEU246 -0.0449 3836 HG 9.3719 12.7867 16.4706 H 246 LEU246 0.0296 3837 CD1 10.4331 10.9736 16.1614 C.3 246 LEU246 -0.0626 3838 HD11 11.3820 11.3944 16.4933 H 246 LEU246 0.0232 3839 HD12 10.6363 10.2399 15.3808 H 246 LEU246 0.0232 3840 HD13 9.9975 10.4432 17.0091 H 246 LEU246 0.0232 3841 CD2 10.1135 12.8104 14.4607 C.3 246 LEU246 -0.0626 3842 HD21 11.0884 13.2229 14.7220 H 246 LEU246 0.0232 3843 HD22 9.4876 13.6398 14.1330 H 246 LEU246 0.0232 3844 HD23 10.2546 12.1394 13.6130 H 246 LEU246 0.0232 3845 C 5.7000 11.8210 14.7360 C.2 246 LEU246 0.2187 3846 O 5.2400 11.8030 13.5890 O.2 246 LEU246 -0.2778 3847 N 5.0760 11.2950 15.7800 N.am 247 GLU247 -0.2456 3848 H 5.5420 11.3060 16.6870 H 247 GLU247 0.1312 3849 CA 3.7520 10.7030 15.6820 C.3 247 GLU247 0.0883 3850 HA 3.8637 9.7982 15.0843 H 247 GLU247 0.0557 3851 CB 3.2265 10.3544 17.0883 C.3 247 GLU247 -0.0193 3852 HB1 2.2266 9.9320 16.9881 H 247 GLU247 0.0290 3853 HB2 3.1043 11.2627 17.6747 H 247 GLU247 0.0290 3854 CG 4.0933 9.3474 17.8783 C.3 247 GLU247 0.0356 3855 HG1 4.2596 8.4454 17.2912 H 247 GLU247 0.0374 3856 HG2 3.5682 9.0400 18.7814 H 247 GLU247 0.0374 3857 CD 5.4514 9.9204 18.3232 C.2 247 GLU247 0.1760 3858 OE1 5.4646 10.8948 19.0689 O.co2 247 GLU247 -0.6478 3859 OE2 6.4837 9.3965 17.9113 O.co2 247 GLU247 -0.6478 3860 C 2.8080 11.6630 14.9350 C.2 247 GLU247 0.2187 3861 O 2.1310 11.2490 13.9650 O.2 247 GLU247 -0.2778 3862 N 2.7760 12.9320 15.3570 N.am 248 GLU248 -0.2456 3863 H 3.3860 13.2220 16.1220 H 248 GLU248 0.1312 3864 CA 1.8740 13.9190 14.7350 C.3 248 GLU248 0.0883 3865 HA 0.8938 13.4427 14.6995 H 248 GLU248 0.0557 3866 CB 1.8328 15.1465 15.6731 C.3 248 GLU248 -0.0193 3867 HB1 2.4997 15.9279 15.3175 H 248 GLU248 0.0290 3868 HB2 2.2571 14.8657 16.6375 H 248 GLU248 0.0290 3869 CG 0.4188 15.6935 15.9580 C.3 248 GLU248 0.0356 3870 HG1 0.2251 15.6885 17.0299 H 248 GLU248 0.0374 3871 HG2 -0.3508 15.0694 15.5046 H 248 GLU248 0.0374 3872 CD 0.2296 17.1361 15.4739 C.2 248 GLU248 0.1760 3873 OE1 -0.6006 17.3677 14.6057 O.co2 248 GLU248 -0.6478 3874 OE2 0.9073 18.0388 15.9552 O.co2 248 GLU248 -0.6478 3875 C 2.2500 14.2860 13.3050 C.2 248 GLU248 0.2187 3876 O 1.4000 14.6750 12.5310 O.2 248 GLU248 -0.2778 3877 N 3.5210 14.1560 12.9460 N.am 249 ILE249 -0.2454 3878 H 4.2230 13.9160 13.6460 H 249 ILE249 0.1312 3879 CA 3.9170 14.3530 11.5680 C.3 249 ILE249 0.0903 3880 HA 3.4919 15.3043 11.2389 H 249 ILE249 0.0560 3881 CB 5.4602 14.4182 11.4593 C.3 249 ILE249 -0.0201 3882 HB 5.8710 13.5592 11.9889 H 249 ILE249 0.0318 3883 CG1 5.9967 15.6964 12.1313 C.3 249 ILE249 -0.0514 3884 HG11 5.5341 15.8183 13.1069 H 249 ILE249 0.0266 3885 HG12 5.6952 16.5736 11.5570 H 249 ILE249 0.0266 3886 CG2 5.9520 14.3414 10.0029 C.3 249 ILE249 -0.0605 3887 HG21 7.0359 14.4263 9.9421 H 249 ILE249 0.0233 3888 HG22 5.5155 15.1435 9.4080 H 249 ILE249 0.0233 3889 HG23 5.6870 13.3942 9.5331 H 249 ILE249 0.0233 3890 CD1 7.5173 15.6979 12.3256 C.3 249 ILE249 -0.0650 3891 HD11 7.8109 16.5232 12.9705 H 249 ILE249 0.0230 3892 HD12 8.0466 15.8084 11.3796 H 249 ILE249 0.0230 3893 HD13 7.8571 14.7780 12.7983 H 249 ILE249 0.0230 3894 C 3.3180 13.2610 10.6860 C.2 249 ILE249 0.2189 3895 O 2.8110 13.5500 9.5750 O.2 249 ILE249 -0.2778 3896 N 3.4050 12.0150 11.1550 N.am 250 LEU250 -0.2456 3897 H 3.8480 11.8480 12.0580 H 250 LEU250 0.1312 3898 CA 2.8740 10.8850 10.3920 C.3 250 LEU250 0.0880 3899 HA 3.2872 10.9480 9.3851 H 250 LEU250 0.0557 3900 CB 3.3150 9.5824 11.0833 C.3 250 LEU250 -0.0266 3901 HB1 2.8598 8.7244 10.5868 H 250 LEU250 0.0287 3902 HB2 2.9228 9.5840 12.1015 H 250 LEU250 0.0287 3903 CG 4.8430 9.3797 11.1355 C.3 250 LEU250 -0.0449 3904 HG 5.3039 10.2811 11.5381 H 250 LEU250 0.0296 3905 CD1 5.2071 8.2368 12.0924 C.3 250 LEU250 -0.0626 3906 HD11 6.2878 8.1092 12.1641 H 250 LEU250 0.0232 3907 HD12 4.7798 7.2904 11.7610 H 250 LEU250 0.0232 3908 HD13 4.8352 8.4390 13.0973 H 250 LEU250 0.0232 3909 CD2 5.4336 9.1253 9.7406 C.3 250 LEU250 -0.0626 3910 HD21 6.4961 8.8917 9.8019 H 250 LEU250 0.0232 3911 HD22 5.3270 9.9981 9.0965 H 250 LEU250 0.0232 3912 HD23 4.9420 8.2839 9.2523 H 250 LEU250 0.0232 3913 C 1.3210 10.9270 10.2680 C.2 250 LEU250 0.2187 3914 O 0.7720 10.3120 9.3730 O.2 250 LEU250 -0.2778 3915 N 0.6460 11.7180 11.0950 N.am 251 LEU251 -0.2456 3916 H 1.1410 12.1600 11.8700 H 251 LEU251 0.1312 3917 CA -0.7820 11.9750 10.9300 C.3 251 LEU251 0.0880 3918 HA -1.2348 11.1278 10.4148 H 251 LEU251 0.0557 3919 CB -1.3797 12.1003 12.3462 C.3 251 LEU251 -0.0266 3920 HB1 -2.4450 12.3294 12.2894 H 251 LEU251 0.0287 3921 HB2 -0.9151 12.9554 12.8418 H 251 LEU251 0.0287 3922 CG -1.1920 10.8522 13.2315 C.3 251 LEU251 -0.0449 3923 HG -0.1373 10.5812 13.2483 H 251 LEU251 0.0296 3924 CD1 -1.5932 11.1566 14.6802 C.3 251 LEU251 -0.0626 3925 HD11 -1.4315 10.2911 15.3229 H 251 LEU251 0.0232 3926 HD12 -2.6449 11.4355 14.7482 H 251 LEU251 0.0232 3927 HD13 -1.0027 11.9799 15.0836 H 251 LEU251 0.0232 3928 CD2 -1.9744 9.6462 12.6947 C.3 251 LEU251 -0.0626 3929 HD21 -1.8590 8.7838 13.3513 H 251 LEU251 0.0232 3930 HD22 -1.6217 9.3504 11.7070 H 251 LEU251 0.0232 3931 HD23 -3.0387 9.8697 12.6193 H 251 LEU251 0.0232 3932 C -1.1540 13.2150 10.1410 C.2 251 LEU251 0.2187 3933 O -2.3600 13.4880 9.9770 O.2 251 LEU251 -0.2778 3934 N -0.1760 13.9790 9.6480 N.am 252 ASP252 -0.2451 3935 H 0.8020 13.7310 9.7980 H 252 ASP252 0.1312 3936 CA -0.5330 15.1800 8.8880 C.3 252 ASP252 0.0977 3937 HA -1.1330 15.7919 9.5590 H 252 ASP252 0.0563 3938 CB 0.7175 15.9638 8.4087 C.3 252 ASP252 0.0576 3939 HB1 0.5586 16.3902 7.4178 H 252 ASP252 0.0394 3940 HB2 1.5776 15.3032 8.3147 H 252 ASP252 0.0394 3941 CG 1.0859 17.1595 9.3141 C.2 252 ASP252 0.1780 3942 OD1 0.3549 18.1429 9.3516 O.co2 252 ASP252 -0.6478 3943 OD2 2.1070 17.1265 9.9880 O.co2 252 ASP252 -0.6478 3944 C -1.3410 14.7130 7.6690 C.2 252 ASP252 0.2219 3945 O -1.0630 13.6500 7.1060 O.2 252 ASP252 -0.2776 3946 N -2.3590 15.4880 7.2770 N.am 253 PRO253 -0.2316 3947 CA -3.0840 15.1140 6.0900 C.3 253 PRO253 0.0907 3948 HA -3.6377 14.2018 6.3155 H 253 PRO253 0.0559 3949 CD -2.8225 16.7055 7.9344 C.3 253 PRO253 0.0071 3950 HD1 -2.0664 17.4766 7.7734 H 253 PRO253 0.0431 3951 HD2 -2.9787 16.5292 8.9988 H 253 PRO253 0.0431 3952 CB -4.0161 16.3161 5.8600 C.3 253 PRO253 -0.0276 3953 HB1 -4.9812 16.0211 5.4484 H 253 PRO253 0.0285 3954 HB2 -3.5754 17.0317 5.1616 H 253 PRO253 0.0285 3955 CG -4.1412 16.9983 7.2202 C.3 253 PRO253 -0.0379 3956 HG1 -4.3447 18.0662 7.1372 H 253 PRO253 0.0278 3957 HG2 -4.9613 16.5437 7.7763 H 253 PRO253 0.0278 3958 C -2.1830 14.9050 4.8770 C.2 253 PRO253 0.2189 3959 O -2.4890 14.0690 4.0290 O.2 253 PRO253 -0.2778 3960 N -1.0710 15.6300 4.8010 N.am 254 TRP254 -0.2453 3961 H -0.8270 16.2630 5.5630 H 254 TRP254 0.1312 3962 CA -0.2070 15.5290 3.6510 C.3 254 TRP254 0.0918 3963 HA -0.8285 15.7739 2.7870 H 254 TRP254 0.0560 3964 CB 0.9408 16.5481 3.7529 C.3 254 TRP254 -0.0021 3965 HB1 1.5772 16.3365 4.6130 H 254 TRP254 0.0334 3966 HB2 0.5356 17.5484 3.9057 H 254 TRP254 0.0334 3967 CG 1.7603 16.5474 2.4729 C.ar 254 TRP254 -0.0260 3968 CD2 3.0596 15.9582 2.2509 C.ar 254 TRP254 -0.0028 3969 CD1 1.3777 17.1122 1.2539 C.ar 254 TRP254 -0.0136 3970 HD1 0.4568 17.6417 1.0660 H 254 TRP254 0.0748 3971 NE1 2.3554 16.9134 0.3384 N.ar 254 TRP254 -0.2641 3972 HE1 2.3350 17.2735 -0.5779 H 254 TRP254 0.1331 3973 CE2 3.4196 16.2379 0.9127 C.ar 254 TRP254 0.0269 3974 CE3 3.9209 15.2658 3.0551 C.ar 254 TRP254 -0.0528 3975 HE3 3.6336 15.0557 4.0736 H 254 TRP254 0.0624 3976 CZ2 4.6420 15.8533 0.4347 C.ar 254 TRP254 -0.0430 3977 HZ2 4.9197 16.1058 -0.5766 H 254 TRP254 0.0633 3978 CZ3 5.1695 14.8710 2.5744 C.ar 254 TRP254 -0.0611 3979 HZ3 5.8581 14.3492 3.2229 H 254 TRP254 0.0618 3980 CH2 5.5319 15.1685 1.2610 C.ar 254 TRP254 -0.0602 3981 HH2 6.5051 14.8838 0.8909 H 254 TRP254 0.0618 3982 C 0.3340 14.1430 3.4460 C.2 254 TRP254 0.2190 3983 O 0.5270 13.7420 2.3080 O.2 254 TRP254 -0.2778 3984 N 0.5640 13.4040 4.5200 N.am 255 MET255 -0.2456 3985 H 0.2440 13.7380 5.4290 H 255 MET255 0.1312 3986 CA 1.2740 12.1050 4.4390 C.3 255 MET255 0.0886 3987 HA 2.0953 12.2142 3.7389 H 255 MET255 0.0557 3988 CB 1.8046 11.7957 5.8541 C.3 255 MET255 -0.0199 3989 HB1 2.1687 10.7696 5.9130 H 255 MET255 0.0293 3990 HB2 0.9814 11.8484 6.5693 H 255 MET255 0.0293 3991 CG 2.9226 12.7382 6.3165 C.3 255 MET255 -0.0047 3992 HG1 3.2683 12.4245 7.3017 H 255 MET255 0.0377 3993 HG2 2.5425 13.7561 6.4154 H 255 MET255 0.0377 3994 SD 4.3264 12.7416 5.1814 S.3 255 MET255 -0.1641 3995 CE 4.6279 10.9745 5.0224 C.3 255 MET255 -0.0181 3996 HE1 5.6219 10.8100 4.6138 H 255 MET255 0.0340 3997 HE2 3.8882 10.5129 4.3677 H 255 MET255 0.0340 3998 HE3 4.5779 10.4938 5.9995 H 255 MET255 0.0340 3999 C 0.4300 10.9010 4.0060 C.2 255 MET255 0.2188 4000 O 0.9670 9.8560 3.6470 O.2 255 MET255 -0.2778 4001 N -0.8880 11.0890 4.0540 N.am 256 GLN256 -0.2440 4002 H -1.2430 11.9700 4.4260 H 256 GLN256 0.1312 4003 CA -1.8440 10.0870 3.5960 C.3 256 GLN256 0.1010 4004 HA -1.6050 9.1505 4.1017 H 256 GLN256 0.0576 4005 CB -3.2504 10.5716 3.9782 C.3 256 GLN256 -0.0192 4006 HB1 -3.4178 11.5480 3.5200 H 256 GLN256 0.0290 4007 HB2 -3.2875 10.7341 5.0559 H 256 GLN256 0.0290 4008 CG -4.3638 9.5943 3.5646 C.3 256 GLN256 0.0226 4009 HG1 -4.2312 8.6325 4.0587 H 256 GLN256 0.0356 4010 HG2 -4.3416 9.4097 2.4902 H 256 GLN256 0.0356 4011 CD -5.7473 10.1500 3.9271 C.2 256 GLN256 0.1981 4012 OE1 -6.4569 9.6281 4.7773 O.2 256 GLN256 -0.2798 4013 NE2 -6.0842 11.2420 3.2246 N.am 256 GLN256 -0.2724 4014 HE21 -6.9669 11.6827 3.3755 H 256 GLN256 0.1266 4015 HE22 -5.4459 11.6163 2.5514 H 256 GLN256 0.1266 4016 C -1.7280 9.8940 2.1050 C.2 256 GLN256 0.1943 4017 O -1.8580 10.8590 1.3360 O.co2 256 GLN256 -0.6467 4018 OXT -1.5017 8.7726 1.6599 O.co2 256 GLN256 -0.6467 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 7 1 6 5 22 1 7 5 6 1 8 7 10 1 9 7 8 1 10 7 9 1 11 10 11 ar 12 10 13 ar 13 11 15 ar 14 11 12 1 15 13 17 ar 16 13 14 1 17 15 19 ar 18 15 16 1 19 17 19 ar 20 17 18 1 21 19 20 1 22 20 21 1 23 22 23 2 24 22 24 am 25 24 26 1 26 24 25 1 27 26 28 1 28 26 46 1 29 26 27 1 30 28 31 1 31 28 29 1 32 28 30 1 33 31 34 1 34 31 32 1 35 31 33 1 36 34 37 1 37 34 35 1 38 34 36 1 39 37 39 ar 40 37 38 1 41 39 40 ar 42 39 43 ar 43 40 41 1 44 40 42 1 45 43 44 1 46 43 45 1 47 46 47 2 48 46 48 am 49 48 50 1 50 48 49 1 51 50 52 1 52 50 65 1 53 50 51 1 54 52 55 1 55 52 53 1 56 52 54 1 57 55 57 1 58 55 61 1 59 55 56 1 60 57 58 1 61 57 59 1 62 57 60 1 63 61 62 1 64 61 63 1 65 61 64 1 66 65 66 2 67 65 67 am 68 67 69 1 69 67 68 1 70 69 72 1 71 69 70 1 72 69 71 1 73 72 73 2 74 72 74 am 75 74 77 1 76 74 75 1 77 75 80 1 78 75 86 1 79 75 76 1 80 77 83 1 81 77 78 1 82 77 79 1 83 80 83 1 84 80 81 1 85 80 82 1 86 83 84 1 87 83 85 1 88 86 87 2 89 86 88 am 90 88 90 1 91 88 89 1 92 90 92 1 93 90 105 1 94 90 91 1 95 92 95 1 96 92 93 1 97 92 94 1 98 95 97 1 99 95 101 1 100 95 96 1 101 97 98 1 102 97 99 1 103 97 100 1 104 101 102 1 105 101 103 1 106 101 104 1 107 105 106 2 108 105 107 am 109 107 109 1 110 107 108 1 111 109 111 1 112 109 124 1 113 109 110 1 114 111 114 1 115 111 112 1 116 111 113 1 117 114 116 1 118 114 120 1 119 114 115 1 120 116 117 1 121 116 118 1 122 116 119 1 123 120 121 1 124 120 122 1 125 120 123 1 126 124 125 2 127 124 126 am 128 126 128 1 129 126 127 1 130 128 131 1 131 128 129 1 132 128 130 1 133 131 132 2 134 131 133 am 135 133 135 1 136 133 134 1 137 135 137 1 138 135 153 1 139 135 136 1 140 137 140 1 141 137 138 1 142 137 139 1 143 140 143 1 144 140 141 1 145 140 142 1 146 143 146 1 147 143 144 1 148 143 145 1 149 146 149 1 150 146 147 1 151 146 148 1 152 149 150 1 153 149 151 1 154 149 152 1 155 153 154 2 156 153 155 am 157 155 157 1 158 155 156 1 159 157 160 1 160 157 158 1 161 157 159 1 162 160 161 2 163 160 162 am 164 162 164 1 165 162 163 1 166 164 167 1 167 164 165 1 168 164 166 1 169 167 168 2 170 167 169 am 171 169 171 1 172 169 170 1 173 171 173 1 174 171 187 1 175 171 172 1 176 173 176 1 177 173 174 1 178 173 175 1 179 176 177 ar 180 176 179 ar 181 177 181 ar 182 177 178 1 183 179 183 ar 184 179 180 1 185 181 185 ar 186 181 182 1 187 183 185 ar 188 183 184 1 189 185 186 1 190 187 188 2 191 187 189 am 192 189 191 1 193 189 190 1 194 191 194 1 195 191 192 1 196 191 193 1 197 194 195 2 198 194 196 am 199 196 198 1 200 196 197 1 201 198 200 1 202 198 208 1 203 198 199 1 204 200 204 1 205 200 202 1 206 200 201 1 207 202 203 1 208 204 205 1 209 204 206 1 210 204 207 1 211 208 209 2 212 208 210 am 213 210 212 1 214 210 211 1 215 212 214 1 216 212 224 1 217 212 213 1 218 214 216 1 219 214 220 1 220 214 215 1 221 216 217 1 222 216 218 1 223 216 219 1 224 220 221 1 225 220 222 1 226 220 223 1 227 224 225 2 228 224 226 am 229 226 228 1 230 226 227 1 231 228 230 1 232 228 244 1 233 228 229 1 234 230 233 1 235 230 231 1 236 230 232 1 237 233 234 ar 238 233 236 ar 239 234 238 ar 240 234 235 1 241 236 240 ar 242 236 237 1 243 238 242 ar 244 238 239 1 245 240 242 ar 246 240 241 1 247 242 243 1 248 244 245 2 249 244 246 am 250 246 248 1 251 246 247 1 252 248 250 1 253 248 254 1 254 248 249 1 255 250 251 1 256 250 252 1 257 250 253 1 258 254 255 2 259 254 256 am 260 256 258 1 261 256 257 1 262 258 261 1 263 258 259 1 264 258 260 1 265 261 262 2 266 261 263 am 267 263 265 1 268 263 264 1 269 265 269 1 270 265 278 1 271 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3493 1 3546 3494 3495 2 3547 3494 3496 am 3548 3496 3498 1 3549 3496 3497 1 3550 3498 3500 1 3551 3498 3510 1 3552 3498 3499 1 3553 3500 3502 1 3554 3500 3506 1 3555 3500 3501 1 3556 3502 3503 1 3557 3502 3504 1 3558 3502 3505 1 3559 3506 3507 1 3560 3506 3508 1 3561 3506 3509 1 3562 3510 3511 2 3563 3510 3512 am 3564 3512 3514 1 3565 3512 3513 1 3566 3514 3516 1 3567 3514 3521 1 3568 3514 3515 1 3569 3516 3519 1 3570 3516 3517 1 3571 3516 3518 1 3572 3519 3520 1 3573 3521 3522 2 3574 3521 3523 am 3575 3523 3526 1 3576 3523 3524 1 3577 3524 3529 1 3578 3524 3535 1 3579 3524 3525 1 3580 3526 3532 1 3581 3526 3527 1 3582 3526 3528 1 3583 3529 3532 1 3584 3529 3530 1 3585 3529 3531 1 3586 3532 3533 1 3587 3532 3534 1 3588 3535 3536 2 3589 3535 3537 am 3590 3537 3539 1 3591 3537 3538 1 3592 3539 3541 1 3593 3539 3547 1 3594 3539 3540 1 3595 3541 3544 1 3596 3541 3542 1 3597 3541 3543 1 3598 3544 3545 ar 3599 3544 3546 ar 3600 3547 3548 2 3601 3547 3549 am 3602 3549 3551 1 3603 3549 3550 1 3604 3551 3553 1 3605 3551 3558 1 3606 3551 3552 1 3607 3553 3556 1 3608 3553 3554 1 3609 3553 3555 1 3610 3556 3557 1 3611 3558 3559 2 3612 3558 3560 am 3613 3560 3562 1 3614 3560 3561 1 3615 3562 3564 1 3616 3562 3569 1 3617 3562 3563 1 3618 3564 3567 1 3619 3564 3565 1 3620 3564 3566 1 3621 3567 3568 1 3622 3569 3570 2 3623 3569 3571 am 3624 3571 3573 1 3625 3571 3572 1 3626 3573 3575 1 3627 3573 3579 1 3628 3573 3574 1 3629 3575 3576 1 3630 3575 3577 1 3631 3575 3578 1 3632 3579 3580 2 3633 3579 3581 am 3634 3581 3583 1 3635 3581 3582 1 3636 3583 3585 1 3637 3583 3598 1 3638 3583 3584 1 3639 3585 3588 1 3640 3585 3586 1 3641 3585 3587 1 3642 3588 3590 1 3643 3588 3594 1 3644 3588 3589 1 3645 3590 3591 1 3646 3590 3592 1 3647 3590 3593 1 3648 3594 3595 1 3649 3594 3596 1 3650 3594 3597 1 3651 3598 3599 2 3652 3598 3600 am 3653 3600 3602 1 3654 3600 3601 1 3655 3602 3604 1 3656 3602 3617 1 3657 3602 3603 1 3658 3604 3609 1 3659 3604 3606 1 3660 3604 3605 1 3661 3606 3613 1 3662 3606 3607 1 3663 3606 3608 1 3664 3609 3610 1 3665 3609 3611 1 3666 3609 3612 1 3667 3613 3614 1 3668 3613 3615 1 3669 3613 3616 1 3670 3617 3618 2 3671 3617 3619 am 3672 3619 3621 1 3673 3619 3620 1 3674 3621 3623 1 3675 3621 3641 1 3676 3621 3622 1 3677 3623 3626 1 3678 3623 3624 1 3679 3623 3625 1 3680 3626 3629 1 3681 3626 3627 1 3682 3626 3628 1 3683 3629 3632 1 3684 3629 3630 1 3685 3629 3631 1 3686 3632 3634 ar 3687 3632 3633 1 3688 3634 3635 ar 3689 3634 3638 ar 3690 3635 3636 1 3691 3635 3637 1 3692 3638 3639 1 3693 3638 3640 1 3694 3641 3642 2 3695 3641 3643 am 3696 3643 3645 1 3697 3643 3644 1 3698 3645 3647 1 3699 3645 3665 1 3700 3645 3646 1 3701 3647 3650 1 3702 3647 3648 1 3703 3647 3649 1 3704 3650 3653 1 3705 3650 3651 1 3706 3650 3652 1 3707 3653 3656 1 3708 3653 3654 1 3709 3653 3655 1 3710 3656 3658 ar 3711 3656 3657 1 3712 3658 3659 ar 3713 3658 3662 ar 3714 3659 3660 1 3715 3659 3661 1 3716 3662 3663 1 3717 3662 3664 1 3718 3665 3666 2 3719 3665 3667 am 3720 3667 3669 1 3721 3667 3668 1 3722 3669 3671 1 3723 3669 3676 1 3724 3669 3670 1 3725 3671 3674 1 3726 3671 3672 1 3727 3671 3673 1 3728 3674 3675 1 3729 3676 3677 2 3730 3676 3678 am 3731 3678 3680 1 3732 3678 3679 1 3733 3680 3682 1 3734 3680 3695 1 3735 3680 3681 1 3736 3682 3685 1 3737 3682 3683 1 3738 3682 3684 1 3739 3685 3687 1 3740 3685 3691 1 3741 3685 3686 1 3742 3687 3688 1 3743 3687 3689 1 3744 3687 3690 1 3745 3691 3692 1 3746 3691 3693 1 3747 3691 3694 1 3748 3695 3696 2 3749 3695 3697 am 3750 3697 3699 1 3751 3697 3698 1 3752 3699 3701 1 3753 3699 3705 1 3754 3699 3700 1 3755 3701 3702 1 3756 3701 3703 1 3757 3701 3704 1 3758 3705 3706 2 3759 3705 3707 am 3760 3707 3710 1 3761 3707 3708 1 3762 3708 3713 1 3763 3708 3719 1 3764 3708 3709 1 3765 3710 3716 1 3766 3710 3711 1 3767 3710 3712 1 3768 3713 3716 1 3769 3713 3714 1 3770 3713 3715 1 3771 3716 3717 1 3772 3716 3718 1 3773 3719 3720 2 3774 3719 3721 am 3775 3721 3723 1 3776 3721 3722 1 3777 3723 3725 1 3778 3723 3741 1 3779 3723 3724 1 3780 3725 3728 1 3781 3725 3726 1 3782 3725 3727 1 3783 3728 3731 1 3784 3728 3729 1 3785 3728 3730 1 3786 3731 3734 1 3787 3731 3732 1 3788 3731 3733 1 3789 3734 3737 1 3790 3734 3735 1 3791 3734 3736 1 3792 3737 3738 1 3793 3737 3739 1 3794 3737 3740 1 3795 3741 3742 2 3796 3741 3743 am 3797 3743 3746 1 3798 3743 3744 1 3799 3744 3749 1 3800 3744 3755 1 3801 3744 3745 1 3802 3746 3752 1 3803 3746 3747 1 3804 3746 3748 1 3805 3749 3752 1 3806 3749 3750 1 3807 3749 3751 1 3808 3752 3753 1 3809 3752 3754 1 3810 3755 3756 2 3811 3755 3757 am 3812 3757 3759 1 3813 3757 3758 1 3814 3759 3761 1 3815 3759 3766 1 3816 3759 3760 1 3817 3761 3764 1 3818 3761 3762 1 3819 3761 3763 1 3820 3764 3765 1 3821 3766 3767 2 3822 3766 3768 am 3823 3768 3770 1 3824 3768 3769 1 3825 3770 3772 1 3826 3770 3777 1 3827 3770 3771 1 3828 3772 3775 1 3829 3772 3773 1 3830 3772 3774 1 3831 3775 3776 1 3832 3777 3778 2 3833 3777 3779 am 3834 3779 3781 1 3835 3779 3780 1 3836 3781 3783 1 3837 3781 3801 1 3838 3781 3782 1 3839 3783 3786 1 3840 3783 3784 1 3841 3783 3785 1 3842 3786 3789 1 3843 3786 3787 1 3844 3786 3788 1 3845 3789 3792 1 3846 3789 3790 1 3847 3789 3791 1 3848 3792 3794 ar 3849 3792 3793 1 3850 3794 3795 ar 3851 3794 3798 ar 3852 3795 3796 1 3853 3795 3797 1 3854 3798 3799 1 3855 3798 3800 1 3856 3801 3802 2 3857 3801 3803 am 3858 3803 3806 1 3859 3803 3804 1 3860 3804 3809 1 3861 3804 3815 1 3862 3804 3805 1 3863 3806 3812 1 3864 3806 3807 1 3865 3806 3808 1 3866 3809 3812 1 3867 3809 3810 1 3868 3809 3811 1 3869 3812 3813 1 3870 3812 3814 1 3871 3815 3816 2 3872 3815 3817 am 3873 3817 3819 1 3874 3817 3818 1 3875 3819 3821 1 3876 3819 3826 1 3877 3819 3820 1 3878 3821 3824 1 3879 3821 3822 1 3880 3821 3823 1 3881 3824 3825 1 3882 3826 3827 2 3883 3826 3828 am 3884 3828 3830 1 3885 3828 3829 1 3886 3830 3832 1 3887 3830 3845 1 3888 3830 3831 1 3889 3832 3835 1 3890 3832 3833 1 3891 3832 3834 1 3892 3835 3837 1 3893 3835 3841 1 3894 3835 3836 1 3895 3837 3838 1 3896 3837 3839 1 3897 3837 3840 1 3898 3841 3842 1 3899 3841 3843 1 3900 3841 3844 1 3901 3845 3846 2 3902 3845 3847 am 3903 3847 3849 1 3904 3847 3848 1 3905 3849 3851 1 3906 3849 3860 1 3907 3849 3850 1 3908 3851 3854 1 3909 3851 3852 1 3910 3851 3853 1 3911 3854 3857 1 3912 3854 3855 1 3913 3854 3856 1 3914 3857 3858 ar 3915 3857 3859 ar 3916 3860 3861 2 3917 3860 3862 am 3918 3862 3864 1 3919 3862 3863 1 3920 3864 3866 1 3921 3864 3875 1 3922 3864 3865 1 3923 3866 3869 1 3924 3866 3867 1 3925 3866 3868 1 3926 3869 3872 1 3927 3869 3870 1 3928 3869 3871 1 3929 3872 3873 ar 3930 3872 3874 ar 3931 3875 3876 2 3932 3875 3877 am 3933 3877 3879 1 3934 3877 3878 1 3935 3879 3881 1 3936 3879 3894 1 3937 3879 3880 1 3938 3881 3886 1 3939 3881 3883 1 3940 3881 3882 1 3941 3883 3890 1 3942 3883 3884 1 3943 3883 3885 1 3944 3886 3887 1 3945 3886 3888 1 3946 3886 3889 1 3947 3890 3891 1 3948 3890 3892 1 3949 3890 3893 1 3950 3894 3895 2 3951 3894 3896 am 3952 3896 3898 1 3953 3896 3897 1 3954 3898 3900 1 3955 3898 3913 1 3956 3898 3899 1 3957 3900 3903 1 3958 3900 3901 1 3959 3900 3902 1 3960 3903 3905 1 3961 3903 3909 1 3962 3903 3904 1 3963 3905 3906 1 3964 3905 3907 1 3965 3905 3908 1 3966 3909 3910 1 3967 3909 3911 1 3968 3909 3912 1 3969 3913 3914 2 3970 3913 3915 am 3971 3915 3917 1 3972 3915 3916 1 3973 3917 3919 1 3974 3917 3932 1 3975 3917 3918 1 3976 3919 3922 1 3977 3919 3920 1 3978 3919 3921 1 3979 3922 3924 1 3980 3922 3928 1 3981 3922 3923 1 3982 3924 3925 1 3983 3924 3926 1 3984 3924 3927 1 3985 3928 3929 1 3986 3928 3930 1 3987 3928 3931 1 3988 3932 3933 2 3989 3932 3934 am 3990 3934 3936 1 3991 3934 3935 1 3992 3936 3938 1 3993 3936 3944 1 3994 3936 3937 1 3995 3938 3941 1 3996 3938 3939 1 3997 3938 3940 1 3998 3941 3942 ar 3999 3941 3943 ar 4000 3944 3945 2 4001 3944 3946 am 4002 3946 3949 1 4003 3946 3947 1 4004 3947 3952 1 4005 3947 3958 1 4006 3947 3948 1 4007 3949 3955 1 4008 3949 3950 1 4009 3949 3951 1 4010 3952 3955 1 4011 3952 3953 1 4012 3952 3954 1 4013 3955 3956 1 4014 3955 3957 1 4015 3958 3959 2 4016 3958 3960 am 4017 3960 3962 1 4018 3960 3961 1 4019 3962 3964 1 4020 3962 3982 1 4021 3962 3963 1 4022 3964 3967 1 4023 3964 3965 1 4024 3964 3966 1 4025 3967 3969 ar 4026 3967 3968 ar 4027 3968 3973 ar 4028 3968 3974 ar 4029 3969 3971 ar 4030 3969 3970 1 4031 3971 3973 ar 4032 3971 3972 1 4033 3973 3976 ar 4034 3974 3978 ar 4035 3974 3975 1 4036 3976 3980 ar 4037 3976 3977 1 4038 3978 3980 ar 4039 3978 3979 1 4040 3980 3981 1 4041 3982 3983 2 4042 3982 3984 am 4043 3984 3986 1 4044 3984 3985 1 4045 3986 3988 1 4046 3986 3999 1 4047 3986 3987 1 4048 3988 3991 1 4049 3988 3989 1 4050 3988 3990 1 4051 3991 3994 1 4052 3991 3992 1 4053 3991 3993 1 4054 3994 3995 1 4055 3995 3996 1 4056 3995 3997 1 4057 3995 3998 1 4058 3999 4000 2 4059 3999 4001 am 4060 4001 4003 1 4061 4001 4002 1 4062 4003 4005 1 4063 4003 4016 1 4064 4003 4004 1 4065 4005 4008 1 4066 4005 4006 1 4067 4005 4007 1 4068 4008 4011 1 4069 4008 4009 1 4070 4008 4010 1 4071 4011 4012 2 4072 4011 4013 am 4073 4013 4014 1 4074 4013 4015 1 4075 4016 4017 ar 4076 4016 4018 ar @SUBSTRUCTURE 1 TYR1 5 RESIDUE 1 A TYR 1 ROOT 2 ARG2 26 RESIDUE 1 A ARG 2 3 LEU3 50 RESIDUE 1 A LEU 2 4 GLY4 69 RESIDUE 1 A GLY 2 5 PRO5 75 RESIDUE 1 A PRO 2 6 LEU6 90 RESIDUE 1 A LEU 2 7 LEU7 109 RESIDUE 1 A LEU 2 8 GLY8 128 RESIDUE 1 A GLY 2 9 LYS9 135 RESIDUE 1 A LYS 2 10 GLY10 157 RESIDUE 1 A GLY 2 11 GLY11 164 RESIDUE 1 A GLY 2 12 PHE12 171 RESIDUE 1 A PHE 2 13 GLY13 191 RESIDUE 1 A GLY 2 14 THR14 198 RESIDUE 1 A THR 2 15 VAL15 212 RESIDUE 1 A VAL 2 16 PHE16 228 RESIDUE 1 A PHE 2 17 ALA17 248 RESIDUE 1 A ALA 2 18 GLY18 258 RESIDUE 1 A GLY 2 19 HIS19 265 RESIDUE 1 A HIS 2 20 ARG20 282 RESIDUE 1 A ARG 2 21 LEU21 306 RESIDUE 1 A LEU 2 22 THR22 325 RESIDUE 1 A THR 2 23 ASP23 339 RESIDUE 1 A ASP 2 24 ARG24 351 RESIDUE 1 A ARG 2 25 LEU25 375 RESIDUE 1 A LEU 2 26 GLN26 394 RESIDUE 1 A GLN 2 27 VAL27 411 RESIDUE 1 A VAL 2 28 ALA28 427 RESIDUE 1 A ALA 2 29 ILE29 437 RESIDUE 1 A ILE 2 30 LYS30 456 RESIDUE 1 A LYS 2 31 VAL31 478 RESIDUE 1 A VAL 2 32 ILE32 494 RESIDUE 1 A ILE 2 33 PRO33 512 RESIDUE 1 A PRO 2 34 ARG34 527 RESIDUE 1 A ARG 2 35 ASN35 551 RESIDUE 1 A ASN 2 36 ARG36 565 RESIDUE 1 A ARG 2 37 VAL37 589 RESIDUE 1 A VAL 2 38 LEU38 605 RESIDUE 1 A LEU 2 39 GLY39 624 RESIDUE 1 A GLY 2 40 TRP40 631 RESIDUE 1 A TRP 2 41 SER41 655 RESIDUE 1 A SER 2 42 PRO42 665 RESIDUE 1 A PRO 2 43 LEU43 680 RESIDUE 1 A LEU 2 44 SER44 699 RESIDUE 1 A SER 2 45 ASP45 710 RESIDUE 1 A ASP 2 46 SER46 722 RESIDUE 1 A SER 2 47 VAL47 733 RESIDUE 1 A VAL 2 48 THR48 749 RESIDUE 1 A THR 2 49 CYS49 763 RESIDUE 1 A CYS 2 50 PRO50 773 RESIDUE 1 A PRO 2 51 LEU51 788 RESIDUE 1 A LEU 2 52 GLU52 807 RESIDUE 1 A GLU 2 53 VAL53 822 RESIDUE 1 A VAL 2 54 ALA54 838 RESIDUE 1 A ALA 2 55 LEU55 848 RESIDUE 1 A LEU 2 56 LEU56 867 RESIDUE 1 A LEU 2 57 TRP57 886 RESIDUE 1 A TRP 2 58 LYS58 910 RESIDUE 1 A LYS 2 59 VAL59 932 RESIDUE 1 A VAL 2 60 GLY60 948 RESIDUE 1 A GLY 2 61 ALA61 955 RESIDUE 1 A ALA 2 62 GLY62 965 RESIDUE 1 A GLY 2 63 GLY63 972 RESIDUE 1 A GLY 2 64 GLY64 979 RESIDUE 1 A GLY 2 65 HIS65 986 RESIDUE 1 A HIS 2 66 PRO66 1002 RESIDUE 1 A PRO 2 67 GLY67 1017 RESIDUE 1 A GLY 2 68 VAL68 1024 RESIDUE 1 A VAL 2 69 ILE69 1040 RESIDUE 1 A ILE 2 70 ARG70 1059 RESIDUE 1 A ARG 2 71 LEU71 1083 RESIDUE 1 A LEU 2 72 LEU72 1102 RESIDUE 1 A LEU 2 73 ASP73 1121 RESIDUE 1 A ASP 2 74 TRP74 1133 RESIDUE 1 A TRP 2 75 PHE75 1157 RESIDUE 1 A PHE 2 76 GLU76 1177 RESIDUE 1 A GLU 2 77 THR77 1192 RESIDUE 1 A THR 2 78 GLN78 1206 RESIDUE 1 A GLN 2 79 GLU79 1223 RESIDUE 1 A GLU 2 80 GLY80 1238 RESIDUE 1 A GLY 2 81 PHE81 1245 RESIDUE 1 A PHE 2 82 MET82 1265 RESIDUE 1 A MET 2 83 LEU83 1282 RESIDUE 1 A LEU 2 84 VAL84 1301 RESIDUE 1 A VAL 2 85 LEU85 1317 RESIDUE 1 A LEU 2 86 GLU86 1336 RESIDUE 1 A GLU 2 87 ARG87 1351 RESIDUE 1 A ARG 2 88 PRO88 1374 RESIDUE 1 A PRO 2 89 LEU89 1389 RESIDUE 1 A LEU 2 90 PRO90 1407 RESIDUE 1 A PRO 2 91 ALA91 1422 RESIDUE 1 A ALA 2 92 GLN92 1432 RESIDUE 1 A GLN 2 93 ASP93 1449 RESIDUE 1 A ASP 2 94 LEU94 1461 RESIDUE 1 A LEU 2 95 PHE95 1480 RESIDUE 1 A PHE 2 96 ASP96 1500 RESIDUE 1 A ASP 2 97 TYR97 1512 RESIDUE 1 A TYR 2 98 ILE98 1533 RESIDUE 1 A ILE 2 99 THR99 1552 RESIDUE 1 A THR 2 100 GLU100 1566 RESIDUE 1 A GLU 2 101 LYS101 1581 RESIDUE 1 A LYS 2 102 GLY102 1603 RESIDUE 1 A GLY 2 103 PRO103 1609 RESIDUE 1 A PRO 2 104 LEU104 1624 RESIDUE 1 A LEU 2 105 GLY105 1643 RESIDUE 1 A GLY 2 106 GLU106 1650 RESIDUE 1 A GLU 2 107 GLY107 1665 RESIDUE 1 A GLY 2 108 PRO108 1671 RESIDUE 1 A PRO 2 109 SER109 1686 RESIDUE 1 A SER 2 110 ARG110 1697 RESIDUE 1 A ARG 2 111 CYS111 1721 RESIDUE 1 A CYS 2 112 PHE112 1732 RESIDUE 1 A PHE 2 113 PHE113 1752 RESIDUE 1 A PHE 2 114 GLY114 1772 RESIDUE 1 A GLY 2 115 GLN115 1779 RESIDUE 1 A GLN 2 116 VAL116 1796 RESIDUE 1 A VAL 2 117 VAL117 1812 RESIDUE 1 A VAL 2 118 ALA118 1828 RESIDUE 1 A ALA 2 119 ALA119 1838 RESIDUE 1 A ALA 2 120 ILE120 1848 RESIDUE 1 A ILE 2 121 GLN121 1867 RESIDUE 1 A GLN 2 122 HIS122 1884 RESIDUE 1 A HIS 2 123 CYS123 1901 RESIDUE 1 A CYS 2 124 HIS124 1912 RESIDUE 1 A HIS 2 125 SER125 1929 RESIDUE 1 A SER 2 126 ARG126 1940 RESIDUE 1 A ARG 2 127 GLY127 1964 RESIDUE 1 A GLY 2 128 VAL128 1971 RESIDUE 1 A VAL 2 129 VAL129 1987 RESIDUE 1 A VAL 2 130 HIS130 2003 RESIDUE 1 A HIS 2 131 ARG131 2020 RESIDUE 1 A ARG 2 132 ASP132 2044 RESIDUE 1 A ASP 2 133 ILE133 2056 RESIDUE 1 A ILE 2 134 LYS134 2075 RESIDUE 1 A LYS 2 135 ASP135 2097 RESIDUE 1 A ASP 2 136 GLU136 2109 RESIDUE 1 A GLU 2 137 ASN137 2124 RESIDUE 1 A ASN 2 138 ILE138 2138 RESIDUE 1 A ILE 2 139 LEU139 2157 RESIDUE 1 A LEU 2 140 ILE140 2176 RESIDUE 1 A ILE 2 141 ASP141 2195 RESIDUE 1 A ASP 2 142 LEU142 2207 RESIDUE 1 A LEU 2 143 ARG143 2226 RESIDUE 1 A ARG 2 144 ARG144 2250 RESIDUE 1 A ARG 2 145 GLY145 2274 RESIDUE 1 A GLY 2 146 CYS146 2281 RESIDUE 1 A CYS 2 147 ALA147 2292 RESIDUE 1 A ALA 2 148 LYS148 2302 RESIDUE 1 A LYS 2 149 LEU149 2324 RESIDUE 1 A LEU 2 150 ILE150 2343 RESIDUE 1 A ILE 2 151 ASP151 2362 RESIDUE 1 A ASP 2 152 PHE152 2374 RESIDUE 1 A PHE 2 153 GLY153 2394 RESIDUE 1 A GLY 2 154 SER154 2401 RESIDUE 1 A SER 2 155 GLY155 2412 RESIDUE 1 A GLY 2 156 ALA156 2419 RESIDUE 1 A ALA 2 157 LEU157 2429 RESIDUE 1 A LEU 2 158 LEU158 2448 RESIDUE 1 A LEU 2 159 HIS159 2467 RESIDUE 1 A HIS 2 160 ASP160 2484 RESIDUE 1 A ASP 2 161 GLU161 2496 RESIDUE 1 A GLU 2 162 PRO162 2510 RESIDUE 1 A PRO 2 163 TYR163 2525 RESIDUE 1 A TYR 2 164 THR164 2546 RESIDUE 1 A THR 2 165 ASP165 2560 RESIDUE 1 A ASP 2 166 PHE166 2572 RESIDUE 1 A PHE 2 167 ASP167 2592 RESIDUE 1 A ASP 2 168 GLY168 2604 RESIDUE 1 A GLY 2 169 THR169 2611 RESIDUE 1 A THR 2 170 ARG170 2625 RESIDUE 1 A ARG 2 171 VAL171 2649 RESIDUE 1 A VAL 2 172 TYR172 2665 RESIDUE 1 A TYR 2 173 SER173 2686 RESIDUE 1 A SER 2 174 PRO174 2696 RESIDUE 1 A PRO 2 175 PRO175 2710 RESIDUE 1 A PRO 2 176 GLU176 2725 RESIDUE 1 A GLU 2 177 TRP177 2740 RESIDUE 1 A TRP 2 178 ILE178 2764 RESIDUE 1 A ILE 2 179 SER179 2783 RESIDUE 1 A SER 2 180 ARG180 2794 RESIDUE 1 A ARG 2 181 HIS181 2818 RESIDUE 1 A HIS 2 182 GLN182 2835 RESIDUE 1 A GLN 2 183 TYR183 2852 RESIDUE 1 A TYR 2 184 HIS184 2873 RESIDUE 1 A HIS 2 185 ALA185 2890 RESIDUE 1 A ALA 2 186 LEU186 2900 RESIDUE 1 A LEU 2 187 PRO187 2918 RESIDUE 1 A PRO 2 188 ALA188 2933 RESIDUE 1 A ALA 2 189 THR189 2943 RESIDUE 1 A THR 2 190 VAL190 2957 RESIDUE 1 A VAL 2 191 TRP191 2973 RESIDUE 1 A TRP 2 192 SER192 2997 RESIDUE 1 A SER 2 193 LEU193 3008 RESIDUE 1 A LEU 2 194 GLY194 3027 RESIDUE 1 A GLY 2 195 ILE195 3034 RESIDUE 1 A ILE 2 196 LEU196 3053 RESIDUE 1 A LEU 2 197 LEU197 3072 RESIDUE 1 A LEU 2 198 TYR198 3091 RESIDUE 1 A TYR 2 199 ASP199 3112 RESIDUE 1 A ASP 2 200 MET200 3124 RESIDUE 1 A MET 2 201 VAL201 3141 RESIDUE 1 A VAL 2 202 CYS202 3157 RESIDUE 1 A CYS 2 203 GLY203 3168 RESIDUE 1 A GLY 2 204 ASP204 3175 RESIDUE 1 A ASP 2 205 ILE205 3187 RESIDUE 1 A ILE 2 206 PRO206 3205 RESIDUE 1 A PRO 2 207 PHE207 3220 RESIDUE 1 A PHE 2 208 GLU208 3240 RESIDUE 1 A GLU 2 209 ARG209 3255 RESIDUE 1 A ARG 2 210 ASP210 3279 RESIDUE 1 A ASP 2 211 GLN211 3291 RESIDUE 1 A GLN 2 212 GLU212 3308 RESIDUE 1 A GLU 2 213 ILE213 3323 RESIDUE 1 A ILE 2 214 LEU214 3342 RESIDUE 1 A LEU 2 215 GLU215 3361 RESIDUE 1 A GLU 2 216 ALA216 3376 RESIDUE 1 A ALA 2 217 GLU217 3386 RESIDUE 1 A GLU 2 218 LEU218 3401 RESIDUE 1 A LEU 2 219 HIS219 3420 RESIDUE 1 A HIS 2 220 PHE220 3437 RESIDUE 1 A PHE 2 221 PRO221 3456 RESIDUE 1 A PRO 2 222 ALA222 3471 RESIDUE 1 A ALA 2 223 HIS223 3481 RESIDUE 1 A HIS 2 224 VAL224 3498 RESIDUE 1 A VAL 2 225 SER225 3514 RESIDUE 1 A SER 2 226 PRO226 3524 RESIDUE 1 A PRO 2 227 ASP227 3539 RESIDUE 1 A ASP 2 228 CYS228 3551 RESIDUE 1 A CYS 2 229 CYS229 3562 RESIDUE 1 A CYS 2 230 ALA230 3573 RESIDUE 1 A ALA 2 231 LEU231 3583 RESIDUE 1 A LEU 2 232 ILE232 3602 RESIDUE 1 A ILE 2 233 ARG233 3621 RESIDUE 1 A ARG 2 234 ARG234 3645 RESIDUE 1 A ARG 2 235 CYS235 3669 RESIDUE 1 A CYS 2 236 LEU236 3680 RESIDUE 1 A LEU 2 237 ALA237 3699 RESIDUE 1 A ALA 2 238 PRO238 3708 RESIDUE 1 A PRO 2 239 LYS239 3723 RESIDUE 1 A LYS 2 240 PRO240 3744 RESIDUE 1 A PRO 2 241 SER241 3759 RESIDUE 1 A SER 2 242 SER242 3770 RESIDUE 1 A SER 2 243 ARG243 3781 RESIDUE 1 A ARG 2 244 PRO244 3804 RESIDUE 1 A PRO 2 245 SER245 3819 RESIDUE 1 A SER 2 246 LEU246 3830 RESIDUE 1 A LEU 2 247 GLU247 3849 RESIDUE 1 A GLU 2 248 GLU248 3864 RESIDUE 1 A GLU 2 249 ILE249 3879 RESIDUE 1 A ILE 2 250 LEU250 3898 RESIDUE 1 A LEU 2 251 LEU251 3917 RESIDUE 1 A LEU 2 252 ASP252 3936 RESIDUE 1 A ASP 2 253 PRO253 3947 RESIDUE 1 A PRO 2 254 TRP254 3962 RESIDUE 1 A TRP 2 255 MET255 3986 RESIDUE 1 A MET 2 256 GLN256 4003 RESIDUE 1 A GLN 1