# Name: 7FXV_min # Creating user name: Agnese Pozzi # Creation time: Fri Apr 10 16:23:06 2026 # Modifying user name: Agnese Pozzi # Modification time: Fri Apr 10 16:23:06 2026 @MOLECULE 7FXV_min 2111 2125 135 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.5 @ATOM 1 N 6.8930 21.3670 -8.5850 N.4 1 GLY1 -0.0668 2 CA 8.0260 20.4840 -8.8920 C.3 1 GLY1 0.1826 3 C 8.4120 19.6020 -7.6980 C.2 1 GLY1 0.2284 4 O 7.8380 19.7160 -6.5900 O.2 1 GLY1 -0.2776 5 H1 6.6554 21.9612 -9.4029 H 1 GLY1 0.2747 6 H2 7.1399 21.9554 -7.7610 H 1 GLY1 0.2747 7 H3 6.0767 20.7801 -8.3103 H 1 GLY1 0.2747 8 HA1 8.8888 21.0907 -9.1718 H 1 GLY1 0.0654 9 HA2 7.7627 19.8420 -9.7346 H 1 GLY1 0.0654 10 N 9.3320 18.7230 -7.9660 N.am 2 SER2 -0.2434 11 CA 9.7010 17.7640 -6.9870 C.3 2 SER2 0.1109 12 C 10.5000 18.4440 -5.8460 C.2 2 SER2 0.2209 13 O 11.2140 19.4470 -6.0250 O.2 2 SER2 -0.2777 14 CB 10.5153 16.6343 -7.6324 C.3 2 SER2 0.0681 15 OG 10.0123 16.3512 -8.9382 O.3 2 SER2 -0.3930 16 H 9.7880 18.7230 -8.8790 H 2 SER2 0.1312 17 HA 8.7811 17.3421 -6.5735 H 2 SER2 0.0580 18 HB1 10.4659 15.7552 -6.9748 H 2 SER2 0.0577 19 HB2 11.5663 16.9264 -7.7185 H 2 SER2 0.0577 20 HG 10.3456 15.5139 -9.2531 H 2 SER2 0.2095 21 N 10.5120 17.7690 -4.7490 N.am 3 HIS3 -0.2452 22 CA 11.4050 18.0490 -3.6550 C.3 3 HIS3 0.0932 23 C 11.9120 16.7560 -3.1030 C.2 3 HIS3 0.2190 24 O 11.2590 15.7300 -3.2160 O.2 3 HIS3 -0.2778 25 CB 10.5973 18.7533 -2.5404 C.3 3 HIS3 0.0146 26 CG 10.5323 20.2548 -2.7347 C.ar 3 HIS3 0.0551 27 ND1 10.0325 20.8865 -3.8218 N.ar 3 HIS3 -0.2469 28 CD2 10.8827 21.2347 -1.7903 C.ar 3 HIS3 0.0047 29 CE1 10.0981 22.2010 -3.5509 C.ar 3 HIS3 0.0737 30 NE2 10.6146 22.4427 -2.3345 N.ar 3 HIS3 -0.2539 31 H 9.8540 16.9960 -4.6500 H 3 HIS3 0.1312 32 HA 12.2530 18.6456 -3.9956 H 3 HIS3 0.0561 33 HB1 11.0399 18.5806 -1.5582 H 3 HIS3 0.0348 34 HB2 9.5840 18.3506 -2.4888 H 3 HIS3 0.0348 35 HD2 11.2732 21.0516 -0.8003 H 3 HIS3 0.0764 36 HE1 9.7574 22.9752 -4.2215 H 3 HIS3 0.0963 37 HE2 10.7318 23.3171 -1.9060 H 3 HIS3 0.1339 38 N 13.0940 16.8300 -2.4910 N.am 4 MET4 -0.2456 39 CA 13.6710 15.6490 -1.9570 C.3 4 MET4 0.0885 40 C 12.7180 14.9170 -0.9560 C.2 4 MET4 0.2187 41 O 12.5720 13.6840 -1.0090 O.2 4 MET4 -0.2778 42 CB 15.0071 16.0114 -1.2829 C.3 4 MET4 -0.0199 43 CG 15.7361 14.8262 -0.6254 C.3 4 MET4 -0.0047 44 SD 15.0656 14.4507 1.0100 S.3 4 MET4 -0.1641 45 CE 15.1933 12.6547 0.9770 C.3 4 MET4 -0.0181 46 H 13.5770 17.7240 -2.4080 H 4 MET4 0.1312 47 HA 13.8473 14.9751 -2.7976 H 4 MET4 0.0557 48 HB1 14.8529 16.7972 -0.5422 H 4 MET4 0.0293 49 HB2 15.6593 16.4425 -2.0430 H 4 MET4 0.0293 50 HG1 16.7930 15.0658 -0.5076 H 4 MET4 0.0377 51 HG2 15.6662 13.9500 -1.2711 H 4 MET4 0.0377 52 HE1 14.9530 12.2377 1.9549 H 4 MET4 0.0340 53 HE2 16.2085 12.3575 0.7142 H 4 MET4 0.0340 54 HE3 14.5175 12.2425 0.2275 H 4 MET4 0.0340 55 N 11.9620 15.6320 -0.1530 N.am 5 CYS5 -0.2449 56 CA 11.0250 14.9650 0.8750 C.3 5 CYS5 0.0965 57 C 9.7310 14.2690 0.2730 C.2 5 CYS5 0.2195 58 O 8.9290 13.5370 0.8920 O.2 5 CYS5 -0.2778 59 CB 10.6162 16.0096 1.9206 C.3 5 CYS5 0.0147 60 SG 9.8314 17.4780 1.2059 S.3 5 CYS5 -0.1762 61 H 11.9960 16.6500 -0.2110 H 5 CYS5 0.1312 62 HA 11.6156 14.1854 1.3537 H 5 CYS5 0.0565 63 HB1 11.4976 16.3304 2.4757 H 5 CYS5 0.0394 64 HB2 9.9363 15.5664 2.6495 H 5 CYS5 0.0394 65 HG 9.2516 18.2064 2.1631 H 5 CYS5 0.1017 66 N 9.7080 14.3420 -1.0160 N.am 6 ASP6 -0.2451 67 CA 8.7160 13.5840 -1.7840 C.3 6 ASP6 0.0974 68 C 8.6800 12.1360 -1.4820 C.2 6 ASP6 0.2192 69 O 7.5990 11.5620 -1.4360 O.2 6 ASP6 -0.2778 70 CB 8.9094 13.7844 -3.3085 C.3 6 ASP6 0.0576 71 CG 8.5390 15.1815 -3.8561 C.2 6 ASP6 0.1780 72 OD1 8.1898 16.0727 -3.0858 O.co2 6 ASP6 -0.6478 73 OD2 8.6084 15.3677 -5.0726 O.co2 6 ASP6 -0.6478 74 H 10.3840 14.9310 -1.5030 H 6 ASP6 0.1312 75 HA 7.7430 13.9925 -1.5034 H 6 ASP6 0.0563 76 HB1 8.2885 13.0808 -3.8633 H 6 ASP6 0.0394 77 HB2 9.9408 13.5768 -3.5891 H 6 ASP6 0.0394 78 N 9.8320 11.5370 -1.2230 N.am 7 ALA7 -0.2459 79 CA 9.8900 10.0650 -1.0060 C.3 7 ALA7 0.0850 80 C 9.2740 9.6520 0.3410 C.2 7 ALA7 0.2184 81 O 9.0230 8.4750 0.5450 O.2 7 ALA7 -0.2778 82 CB 11.3549 9.6233 -1.0841 C.3 7 ALA7 -0.0411 83 H 10.6880 12.0890 -1.1720 H 7 ALA7 0.1312 84 HA 9.3134 9.5996 -1.8074 H 7 ALA7 0.0554 85 HB1 11.4487 8.5397 -1.0131 H 7 ALA7 0.0249 86 HB2 11.9473 10.0712 -0.2851 H 7 ALA7 0.0249 87 HB3 11.7969 9.9303 -2.0324 H 7 ALA7 0.0249 88 N 9.0070 10.6190 1.2370 N.am 8 PHE8 -0.2453 89 CA 8.3310 10.3380 2.5060 C.3 8 PHE8 0.0917 90 C 6.8020 10.4100 2.3470 C.2 8 PHE8 0.2190 91 O 6.0890 9.8730 3.2090 O.2 8 PHE8 -0.2778 92 CB 8.7547 11.3540 3.5780 C.3 8 PHE8 -0.0036 93 CG 10.1838 11.1757 4.0125 C.ar 8 PHE8 -0.0454 94 CD1 10.5323 10.1297 4.8602 C.ar 8 PHE8 -0.0585 95 CD2 11.1644 12.0775 3.6146 C.ar 8 PHE8 -0.0585 96 CE1 11.8379 9.9906 5.3086 C.ar 8 PHE8 -0.0615 97 CE2 12.4736 11.9404 4.0582 C.ar 8 PHE8 -0.0615 98 CZ 12.8104 10.8981 4.9103 C.ar 8 PHE8 -0.0617 99 H 9.2840 11.5780 1.0260 H 8 PHE8 0.1312 100 HA 8.5851 9.3257 2.8233 H 8 PHE8 0.0560 101 HB1 8.1308 11.2432 4.4658 H 8 PHE8 0.0333 102 HB2 8.5973 12.3730 3.2207 H 8 PHE8 0.0333 103 HD1 9.7811 9.4247 5.1815 H 8 PHE8 0.0620 104 HD2 10.8994 12.9005 2.9694 H 8 PHE8 0.0620 105 HE1 12.0905 9.1784 5.9727 H 8 PHE8 0.0618 106 HE2 13.2282 12.6509 3.7513 H 8 PHE8 0.0618 107 HZ 13.8271 10.8010 5.2647 H 8 PHE8 0.0618 108 N 6.2930 11.1650 1.3660 N.am 9 VAL9 -0.2454 109 CA 4.8740 11.4230 1.3050 C.3 9 VAL9 0.0901 110 C 4.1220 10.1360 1.0290 C.2 9 VAL9 0.2187 111 O 4.5130 9.3390 0.1780 O.2 9 VAL9 -0.2778 112 CB 4.6184 12.4848 0.2113 C.3 9 VAL9 -0.0227 113 CG1 3.1240 12.7287 -0.0597 C.3 9 VAL9 -0.0608 114 CG2 5.3005 13.8118 0.5726 C.3 9 VAL9 -0.0608 115 H 6.9110 11.5600 0.6580 H 9 VAL9 0.1312 116 HA 4.5733 11.8130 2.2790 H 9 VAL9 0.0560 117 HB 5.0639 12.1300 -0.7199 H 9 VAL9 0.0315 118 HG11 2.9880 13.5180 -0.7996 H 9 VAL9 0.0233 119 HG12 2.6009 13.0302 0.8459 H 9 VAL9 0.0233 120 HG13 2.6334 11.8372 -0.4498 H 9 VAL9 0.0233 121 HG21 5.1229 14.5694 -0.1915 H 9 VAL9 0.0233 122 HG22 6.3802 13.7020 0.6688 H 9 VAL9 0.0233 123 HG23 4.9148 14.1911 1.5179 H 9 VAL9 0.0233 124 N 2.9870 9.9860 1.7150 N.am 10 GLY10 -0.2485 125 CA 2.1120 8.8650 1.4860 C.3 10 GLY10 0.0765 126 C 1.5280 8.3500 2.7850 C.2 10 GLY10 0.2156 127 O 1.5630 9.0110 3.8160 O.2 10 GLY10 -0.2781 128 H 2.7340 10.6810 2.4170 H 10 GLY10 0.1309 129 HA1 2.6542 8.0552 0.9942 H 10 GLY10 0.0521 130 HA2 1.3095 9.2081 0.8336 H 10 GLY10 0.0521 131 N 0.9660 7.1500 2.6820 N.am 11 THR11 -0.2436 132 CA 0.3070 6.4740 3.7790 C.3 11 THR11 0.1135 133 C 1.0970 5.1950 4.0310 C.2 11 THR11 0.2212 134 O 1.2960 4.3960 3.1180 O.2 11 THR11 -0.2777 135 CB -1.1528 6.1560 3.4023 C.3 11 THR11 0.0763 136 OG1 -1.7976 7.3881 3.1200 O.3 11 THR11 -0.3900 137 CG2 -1.9054 5.4134 4.5235 C.3 11 THR11 -0.0370 138 H 1.0010 6.6780 1.7780 H 11 THR11 0.1312 139 HA 0.3366 7.1053 4.6693 H 11 THR11 0.0583 140 HB -1.1413 5.5352 2.4978 H 11 THR11 0.0611 141 HG1 -2.7029 7.2430 2.8625 H 11 THR11 0.2098 142 HG21 -2.9073 5.1193 4.2101 H 11 THR11 0.0255 143 HG22 -2.0048 6.0358 5.4109 H 11 THR11 0.0255 144 HG23 -1.3883 4.5030 4.8217 H 11 THR11 0.0255 145 N 1.5320 5.0320 5.2600 N.am 12 TRP12 -0.2453 146 CA 2.4570 3.9910 5.6670 C.3 12 TRP12 0.0918 147 C 1.8610 3.2040 6.8100 C.2 12 TRP12 0.2190 148 O 1.1840 3.7630 7.6610 O.2 12 TRP12 -0.2778 149 CB 3.7136 4.7233 6.1741 C.3 12 TRP12 -0.0021 150 CG 4.4460 5.3936 5.0332 C.ar 12 TRP12 -0.0260 151 CD1 4.2443 6.6888 4.5450 C.ar 12 TRP12 -0.0136 152 CD2 5.4811 4.8086 4.2253 C.ar 12 TRP12 -0.0028 153 NE1 5.0531 6.8908 3.4734 N.ar 12 TRP12 -0.2641 154 CE2 5.8065 5.7496 3.2229 C.ar 12 TRP12 0.0269 155 CE3 6.1051 3.5936 4.2625 C.ar 12 TRP12 -0.0528 156 CZ2 6.7146 5.4202 2.2537 C.ar 12 TRP12 -0.0430 157 CZ3 7.0281 3.2528 3.2783 C.ar 12 TRP12 -0.0611 158 CH2 7.3135 4.1577 2.2604 C.ar 12 TRP12 -0.0602 159 H 1.1980 5.6790 5.9740 H 12 TRP12 0.1312 160 HA 2.6725 3.3273 4.8288 H 12 TRP12 0.0560 161 HB1 4.3930 4.0353 6.6613 H 12 TRP12 0.0334 162 HB2 3.4503 5.4753 6.9159 H 12 TRP12 0.0334 163 HD1 3.5287 7.3992 4.9363 H 12 TRP12 0.0748 164 HE1 5.0804 7.7159 2.9418 H 12 TRP12 0.1331 165 HE3 5.8625 2.8921 5.0453 H 12 TRP12 0.0624 166 HZ2 6.9355 6.1311 1.4719 H 12 TRP12 0.0633 167 HZ3 7.5035 2.2825 3.2887 H 12 TRP12 0.0618 168 HH2 7.9778 3.8479 1.4722 H 12 TRP12 0.0618 169 N 2.1090 1.9110 6.8820 N.am 13 LYS13 -0.2456 170 CA 1.6130 1.0350 7.9300 C.3 13 LYS13 0.0878 171 C 2.7880 0.3750 8.6680 C.2 13 LYS13 0.2187 172 O 3.7880 -0.0320 8.0500 O.2 13 LYS13 -0.2778 173 CB 0.6735 -0.0065 7.2536 C.3 13 LYS13 -0.0289 174 CG 1.1822 -0.6834 5.9468 C.3 13 LYS13 -0.0496 175 CD 0.1411 -1.6508 5.3203 C.3 13 LYS13 -0.0278 176 CE 0.5839 -2.3976 4.0274 C.3 13 LYS13 0.1103 177 NZ 0.0144 -1.9775 2.7288 N.4 13 LYS13 -0.0749 178 H 2.6890 1.4970 6.1520 H 13 LYS13 0.1312 179 HA 1.0479 1.6181 8.6593 H 13 LYS13 0.0557 180 HB1 -0.2571 0.5058 7.0086 H 13 LYS13 0.0285 181 HB2 0.4001 -0.7724 7.9804 H 13 LYS13 0.0285 182 HG1 2.1076 -1.2220 6.1560 H 13 LYS13 0.0266 183 HG2 1.4339 0.0770 5.2088 H 13 LYS13 0.0266 184 HD1 -0.8040 -1.1335 5.1518 H 13 LYS13 0.0282 185 HD2 -0.0862 -2.4014 6.0786 H 13 LYS13 0.0282 186 HE1 0.3148 -3.4488 4.1440 H 13 LYS13 0.0559 187 HE2 1.6721 -2.3806 3.9359 H 13 LYS13 0.0559 188 HZ1 0.1863 -2.6762 1.9838 H 13 LYS13 0.2742 189 HZ2 0.4337 -1.0806 2.4015 H 13 LYS13 0.2742 190 HZ3 -1.0107 -1.7755 2.7720 H 13 LYS13 0.2742 191 N 2.6760 0.2670 10.0050 N.am 14 LEU14 -0.2456 192 CA 3.7430 -0.3650 10.7850 C.3 14 LEU14 0.0880 193 C 3.8330 -1.8710 10.4510 C.2 14 LEU14 0.2187 194 O 2.7990 -2.5560 10.5310 O.2 14 LEU14 -0.2778 195 CB 3.4823 -0.1912 12.2976 C.3 14 LEU14 -0.0266 196 CG 4.5919 -0.7889 13.2004 C.3 14 LEU14 -0.0449 197 CD1 5.8679 0.0616 13.1818 C.3 14 LEU14 -0.0626 198 CD2 4.1143 -0.9966 14.6426 C.3 14 LEU14 -0.0626 199 H 1.8460 0.6260 10.4760 H 14 LEU14 0.1312 200 HA 4.6793 0.1189 10.5019 H 14 LEU14 0.0557 201 HB1 2.5270 -0.6611 12.5375 H 14 LEU14 0.0287 202 HB2 3.3512 0.8659 12.5291 H 14 LEU14 0.0287 203 HG 4.8537 -1.7804 12.8312 H 14 LEU14 0.0296 204 HD11 6.6482 -0.3892 13.7938 H 14 LEU14 0.0232 205 HD12 5.6780 1.0563 13.5794 H 14 LEU14 0.0232 206 HD13 6.2644 0.1711 12.1729 H 14 LEU14 0.0232 207 HD21 4.8627 -1.5370 15.2226 H 14 LEU14 0.0232 208 HD22 3.1914 -1.5763 14.6736 H 14 LEU14 0.0232 209 HD23 3.9374 -0.0488 15.1433 H 14 LEU14 0.0232 210 N 5.0090 -2.3500 10.1470 N.am 15 VAL15 -0.2454 211 CA 5.2330 -3.7510 9.8860 C.3 15 VAL15 0.0901 212 C 6.1570 -4.4420 10.8780 C.2 15 VAL15 0.2190 213 O 5.9800 -5.6440 11.0680 O.2 15 VAL15 -0.2778 214 CB 5.6992 -3.9569 8.4309 C.3 15 VAL15 -0.0227 215 CG1 4.6093 -3.5100 7.4439 C.3 15 VAL15 -0.0608 216 CG2 7.0399 -3.2749 8.1148 C.3 15 VAL15 -0.0608 217 H 5.8000 -1.7090 10.0920 H 15 VAL15 0.1312 218 HA 4.2833 -4.2792 9.9919 H 15 VAL15 0.0560 219 HB 5.8376 -5.0297 8.2853 H 15 VAL15 0.0315 220 HG11 4.8270 -3.8547 6.4357 H 15 VAL15 0.0233 221 HG12 4.5172 -2.4241 7.4131 H 15 VAL15 0.0233 222 HG13 3.6366 -3.9183 7.7186 H 15 VAL15 0.0233 223 HG21 7.4345 -3.6287 7.1630 H 15 VAL15 0.0233 224 HG22 7.7960 -3.4864 8.8706 H 15 VAL15 0.0233 225 HG23 6.9276 -2.1938 8.0417 H 15 VAL15 0.0233 226 N 7.0290 -3.7390 11.5870 N.am 16 SER16 -0.2436 227 CA 7.7970 -4.3670 12.6530 C.3 16 SER16 0.1109 228 C 8.2130 -3.3210 13.6670 C.2 16 SER16 0.2210 229 O 8.3560 -2.1430 13.3540 O.2 16 SER16 -0.2777 230 CB 9.0236 -5.1113 12.0955 C.3 16 SER16 0.0681 231 OG 9.9919 -4.2007 11.5898 O.3 16 SER16 -0.3930 232 H 7.1630 -2.7490 11.3840 H 16 SER16 0.1312 233 HA 7.1362 -5.0712 13.1619 H 16 SER16 0.0580 234 HB1 8.6972 -5.7952 11.3042 H 16 SER16 0.0577 235 HB2 9.4664 -5.7199 12.8922 H 16 SER16 0.0577 236 HG 10.7539 -4.6603 11.2439 H 16 SER16 0.2095 237 N 8.5020 -3.8040 14.8610 N.am 17 SER17 -0.2435 238 CA 9.0200 -2.9690 15.9170 C.3 17 SER17 0.1109 239 C 10.0250 -3.7680 16.7410 C.2 17 SER17 0.2209 240 O 9.8350 -4.9510 16.9770 O.2 17 SER17 -0.2777 241 CB 7.8633 -2.4647 16.7910 C.3 17 SER17 0.0681 242 OG 8.2859 -1.5481 17.7843 O.3 17 SER17 -0.3930 243 H 8.3550 -4.7970 15.0420 H 17 SER17 0.1312 244 HA 9.5545 -2.1302 15.4686 H 17 SER17 0.0580 245 HB1 7.3282 -3.2991 17.2567 H 17 SER17 0.0577 246 HB2 7.1398 -1.9474 16.1597 H 17 SER17 0.0577 247 HG 9.0298 -1.9373 18.2432 H 17 SER17 0.2095 248 N 11.0630 -3.1060 17.2070 N.am 18 GLU18 -0.2456 249 CA 12.0070 -3.6960 18.1110 C.3 18 GLU18 0.0883 250 C 12.3340 -2.6910 19.2000 C.2 18 GLU18 0.2187 251 O 12.5980 -1.5040 18.9430 O.2 18 GLU18 -0.2778 252 CB 13.2637 -4.1439 17.3340 C.3 18 GLU18 -0.0193 253 CG 13.8005 -5.5105 17.7910 C.3 18 GLU18 0.0356 254 CD 14.0422 -5.5300 19.3005 C.2 18 GLU18 0.1760 255 OE1 15.1147 -5.1182 19.7264 O.co2 18 GLU18 -0.6478 256 OE2 13.1465 -5.9489 20.0310 O.co2 18 GLU18 -0.6478 257 H 11.2010 -2.1380 16.9140 H 18 GLU18 0.1312 258 HA 11.5328 -4.5580 18.5876 H 18 GLU18 0.0557 259 HB1 14.0532 -3.3931 17.3999 H 18 GLU18 0.0290 260 HB2 13.0274 -4.2242 16.2730 H 18 GLU18 0.0290 261 HG1 14.7343 -5.7498 17.2836 H 18 GLU18 0.0374 262 HG2 13.0904 -6.3002 17.5467 H 18 GLU18 0.0374 263 N 12.3580 -3.2000 20.4250 N.am 19 ASN19 -0.2452 264 CA 12.8350 -2.5140 21.6200 C.3 19 ASN19 0.0957 265 C 11.9700 -1.2700 21.9830 C.2 19 ASN19 0.2191 266 O 12.4300 -0.4040 22.7240 O.2 19 ASN19 -0.2778 267 CB 14.3283 -2.1624 21.4499 C.3 19 ASN19 0.0446 268 CG 15.0055 -1.8381 22.7877 C.2 19 ASN19 0.2000 269 OD1 15.1770 -0.6872 23.1687 O.2 19 ASN19 -0.2797 270 ND2 15.3726 -2.9295 23.4743 N.am 19 ASN19 -0.2723 271 H 12.0130 -4.1530 20.5410 H 19 ASN19 0.1312 272 HA 12.7187 -3.2489 22.4172 H 19 ASN19 0.0562 273 HB1 14.4615 -1.3186 20.7763 H 19 ASN19 0.0375 274 HB2 14.8607 -3.0014 21.0050 H 19 ASN19 0.0375 275 HD21 15.7870 -2.8395 24.3786 H 19 ASN19 0.1266 276 HD22 15.2316 -3.8399 23.0827 H 19 ASN19 0.1266 277 N 10.7150 -1.1990 21.5180 N.am 20 PHE20 -0.2453 278 CA 9.8800 -0.0150 21.7920 C.3 20 PHE20 0.0917 279 C 9.5190 0.0630 23.2610 C.2 20 PHE20 0.2190 280 O 9.4310 1.1920 23.8010 O.2 20 PHE20 -0.2778 281 CB 8.6592 -0.0305 20.8632 C.3 20 PHE20 -0.0036 282 CG 7.8465 1.2385 20.8855 C.ar 20 PHE20 -0.0454 283 CD1 8.4433 2.4640 20.6009 C.ar 20 PHE20 -0.0585 284 CD2 6.4763 1.1964 21.1272 C.ar 20 PHE20 -0.0585 285 CE1 7.6866 3.6267 20.5620 C.ar 20 PHE20 -0.0615 286 CE2 5.7152 2.3574 21.0852 C.ar 20 PHE20 -0.0615 287 CZ 6.3211 3.5720 20.7965 C.ar 20 PHE20 -0.0617 288 H 10.3340 -1.9700 20.9700 H 20 PHE20 0.1312 289 HA 10.5021 0.8509 21.5704 H 20 PHE20 0.0560 290 HB1 8.0289 -0.8952 21.0738 H 20 PHE20 0.0333 291 HB2 9.0174 -0.1404 19.8444 H 20 PHE20 0.0333 292 HD1 9.5049 2.5195 20.4055 H 20 PHE20 0.0620 293 HD2 5.9973 0.2567 21.3593 H 20 PHE20 0.0620 294 HE1 8.1619 4.5750 20.3575 H 20 PHE20 0.0618 295 HE2 4.6555 2.3195 21.2961 H 20 PHE20 0.0618 296 HZ 5.7367 4.4786 20.7717 H 20 PHE20 0.0618 297 N 9.2580 -1.0560 23.9320 N.am 21 ASP21 -0.2451 298 CA 8.9260 -0.9630 25.3850 C.3 21 ASP21 0.0974 299 C 10.1220 -0.3480 26.1440 C.2 21 ASP21 0.2192 300 O 9.9270 0.5080 27.0090 O.2 21 ASP21 -0.2778 301 CB 8.5526 -2.3175 26.0393 C.3 21 ASP21 0.0576 302 CG 7.6011 -2.1373 27.2632 C.2 21 ASP21 0.1780 303 OD1 6.5031 -1.6365 27.0956 O.co2 21 ASP21 -0.6478 304 OD2 7.8903 -2.4875 28.4089 O.co2 21 ASP21 -0.6478 305 H 9.2840 -1.9610 23.4620 H 21 ASP21 0.1312 306 HA 8.0865 -0.2706 25.4559 H 21 ASP21 0.0563 307 HB1 9.4349 -2.8878 26.3346 H 21 ASP21 0.0394 308 HB2 8.0208 -2.9296 25.3124 H 21 ASP21 0.0394 309 N 11.3340 -0.7850 25.8520 N.am 22 ASP22 -0.2451 310 CA 12.5100 -0.2340 26.5450 C.3 22 ASP22 0.0974 311 C 12.7060 1.2390 26.2050 C.2 22 ASP22 0.2192 312 O 13.0810 2.0040 27.0970 O.2 22 ASP22 -0.2778 313 CB 13.7157 -1.1527 26.3142 C.3 22 ASP22 0.0576 314 CG 13.5078 -2.3664 27.2400 C.2 22 ASP22 0.1780 315 OD1 12.5328 -3.1032 27.0874 O.co2 22 ASP22 -0.6478 316 OD2 14.2921 -2.5709 28.1601 O.co2 22 ASP22 -0.6478 317 H 11.4550 -1.5080 25.1430 H 22 ASP22 0.1312 318 HA 12.2712 -0.2225 27.6077 H 22 ASP22 0.0563 319 HB1 14.6544 -0.6612 26.5720 H 22 ASP22 0.0394 320 HB2 13.7774 -1.4829 25.2795 H 22 ASP22 0.0394 321 N 12.4590 1.6580 24.9550 N.am 23 TYR23 -0.2453 322 CA 12.5080 3.0760 24.6110 C.3 23 TYR23 0.0917 323 C 11.4980 3.8600 25.4310 C.2 23 TYR23 0.2190 324 O 11.8090 4.8860 26.0390 O.2 23 TYR23 -0.2778 325 CB 12.2721 3.2024 23.0985 C.3 23 TYR23 -0.0036 326 CG 12.0433 4.6262 22.6753 C.ar 23 TYR23 -0.0453 327 CD1 13.1152 5.4999 22.5366 C.ar 23 TYR23 -0.0561 328 CD2 10.7473 5.1029 22.5030 C.ar 23 TYR23 -0.0561 329 CE1 12.8920 6.8390 22.2518 C.ar 23 TYR23 -0.0317 330 CE2 10.5232 6.4410 22.2177 C.ar 23 TYR23 -0.0317 331 CZ 11.5945 7.3139 22.1042 C.ar 23 TYR23 0.0726 332 OH 11.3612 8.6422 21.8144 O.3 23 TYR23 -0.3598 333 H 12.2330 0.9740 24.2330 H 23 TYR23 0.1312 334 HA 13.5045 3.4389 24.8697 H 23 TYR23 0.0560 335 HB1 11.4149 2.5992 22.7999 H 23 TYR23 0.0333 336 HB2 13.1346 2.8011 22.5654 H 23 TYR23 0.0333 337 HD1 14.1284 5.1464 22.6735 H 23 TYR23 0.0621 338 HD2 9.9063 4.4373 22.6346 H 23 TYR23 0.0621 339 HE1 13.7392 7.4967 22.1413 H 23 TYR23 0.0643 340 HE2 9.5151 6.8057 22.0987 H 23 TYR23 0.0643 341 HH 10.4285 8.8075 21.8089 H 23 TYR23 0.2173 342 N 10.2560 3.3660 25.4730 N.am 24 MET24 -0.2456 343 CA 9.2180 4.0610 26.2440 C.3 24 MET24 0.0885 344 C 9.5840 4.1410 27.7310 C.2 24 MET24 0.2187 345 O 9.3600 5.1520 28.3710 O.2 24 MET24 -0.2778 346 CB 7.8902 3.3525 25.9687 C.3 24 MET24 -0.0199 347 CG 7.2795 3.6684 24.6014 C.3 24 MET24 -0.0047 348 SD 5.5752 3.0746 24.5092 S.3 24 MET24 -0.1641 349 CE 5.8602 1.2968 24.5782 C.3 24 MET24 -0.0181 350 H 10.0300 2.5080 24.9700 H 24 MET24 0.1312 351 HA 9.1730 5.0864 25.8717 H 24 MET24 0.0557 352 HB1 7.1625 3.6136 26.7332 H 24 MET24 0.0293 353 HB2 8.0682 2.2813 26.0014 H 24 MET24 0.0293 354 HG1 7.8679 3.2055 23.8093 H 24 MET24 0.0377 355 HG2 7.2899 4.7398 24.4134 H 24 MET24 0.0377 356 HE1 5.0302 0.7690 24.1085 H 24 MET24 0.0340 357 HE2 5.9613 0.9610 25.6095 H 24 MET24 0.0340 358 HE3 6.7665 1.0383 24.0323 H 24 MET24 0.0340 359 N 10.1590 3.0640 28.2830 N.am 25 LYS25 -0.2457 360 CA 10.5900 3.1310 29.6910 C.3 25 LYS25 0.0878 361 C 11.5830 4.2270 29.8820 C.2 25 LYS25 0.2187 362 O 11.5060 4.9770 30.8750 O.2 25 LYS25 -0.2778 363 CB 11.3835 1.8519 30.0828 C.3 25 LYS25 -0.0289 364 CG 10.6331 0.5153 30.1590 C.3 25 LYS25 -0.0496 365 CD 11.6174 -0.6678 30.3042 C.3 25 LYS25 -0.0278 366 CE 11.1599 -1.9725 29.6320 C.3 25 LYS25 0.1103 367 NZ 12.2323 -2.9672 29.5988 N.4 25 LYS25 -0.0749 368 H 10.2960 2.2120 27.7380 H 25 LYS25 0.1312 369 HA 9.7185 3.3017 30.3234 H 25 LYS25 0.0557 370 HB1 11.8662 1.9961 31.0522 H 25 LYS25 0.0285 371 HB2 12.2003 1.7275 29.3708 H 25 LYS25 0.0285 372 HG1 10.0200 0.3868 29.2745 H 25 LYS25 0.0266 373 HG2 9.9559 0.5321 31.0097 H 25 LYS25 0.0266 374 HD1 11.8389 -0.8376 31.3582 H 25 LYS25 0.0282 375 HD2 12.5723 -0.3944 29.8514 H 25 LYS25 0.0282 376 HE1 10.8800 -1.7693 28.5963 H 25 LYS25 0.0559 377 HE2 10.2859 -2.4090 30.1148 H 25 LYS25 0.0559 378 HZ1 12.3062 -3.5305 30.4606 H 25 LYS25 0.2742 379 HZ2 13.1408 -2.4898 29.4129 H 25 LYS25 0.2742 380 HZ3 12.1472 -3.5646 28.7442 H 25 LYS25 0.2742 381 N 12.5690 4.3230 28.9650 N.am 26 GLU26 -0.2456 382 CA 13.6410 5.3240 29.0630 C.3 26 GLU26 0.0883 383 C 13.0060 6.7610 29.0180 C.2 26 GLU26 0.2187 384 O 13.4630 7.6840 29.7220 O.2 26 GLU26 -0.2778 385 CB 14.6419 5.0557 27.9351 C.3 26 GLU26 -0.0193 386 CG 15.9918 5.7276 28.1808 C.3 26 GLU26 0.0356 387 CD 16.7393 5.1126 29.3655 C.2 26 GLU26 0.1760 388 OE1 16.5303 5.5266 30.5024 O.co2 26 GLU26 -0.6478 389 OE2 17.5624 4.2266 29.1711 O.co2 26 GLU26 -0.6478 390 H 12.5700 3.6770 28.1750 H 26 GLU26 0.1312 391 HA 14.0974 5.1765 30.0418 H 26 GLU26 0.0557 392 HB1 14.2250 5.3841 26.9834 H 26 GLU26 0.0290 393 HB2 14.8010 3.9810 27.8314 H 26 GLU26 0.0290 394 HG1 15.8609 6.7836 28.3946 H 26 GLU26 0.0374 395 HG2 16.6188 5.6359 27.2984 H 26 GLU26 0.0374 396 N 12.0050 6.9670 28.1860 N.am 27 VAL27 -0.2454 397 CA 11.3060 8.2330 28.0700 C.3 27 VAL27 0.0901 398 C 10.4900 8.5760 29.3150 C.2 27 VAL27 0.2187 399 O 10.3640 9.7440 29.6330 O.2 27 VAL27 -0.2778 400 CB 10.4298 8.1916 26.7943 C.3 27 VAL27 -0.0227 401 CG1 9.4320 9.3594 26.6817 C.3 27 VAL27 -0.0608 402 CG2 11.3054 8.1512 25.5329 C.3 27 VAL27 -0.0608 403 H 11.7050 6.1940 27.5910 H 27 VAL27 0.1312 404 HA 12.0660 9.0079 27.9619 H 27 VAL27 0.0560 405 HB 9.8436 7.2719 26.8214 H 27 VAL27 0.0315 406 HG11 8.8719 9.3087 25.7476 H 27 VAL27 0.0233 407 HG12 9.9445 10.3201 26.7076 H 27 VAL27 0.0233 408 HG13 8.6966 9.3442 27.4867 H 27 VAL27 0.0233 409 HG21 10.6840 8.0830 24.6416 H 27 VAL27 0.0233 410 HG22 11.9825 7.2979 25.5283 H 27 VAL27 0.0233 411 HG23 11.9129 9.0524 25.4448 H 27 VAL27 0.0233 412 N 10.1050 7.5900 30.0830 N.am 28 GLY28 -0.2485 413 CA 9.3120 7.7740 31.3050 C.3 28 GLY28 0.0765 414 C 7.8620 7.3740 31.1960 C.2 28 GLY28 0.2155 415 O 7.0730 7.6940 32.0990 O.2 28 GLY28 -0.2781 416 H 10.3700 6.6410 29.8190 H 28 GLY28 0.1309 417 HA1 9.3738 8.8117 31.6346 H 28 GLY28 0.0521 418 HA2 9.7850 7.1559 32.0673 H 28 GLY28 0.0521 419 N 7.4900 6.6610 30.1560 N.am 29 VAL29 -0.2456 420 CA 6.1000 6.2270 29.9610 C.3 29 VAL29 0.0901 421 C 5.7500 5.1880 31.0310 C.2 29 VAL29 0.2187 422 O 6.5240 4.2550 31.2650 O.2 29 VAL29 -0.2778 423 CB 5.9287 5.6387 28.5456 C.3 29 VAL29 -0.0227 424 CG1 4.4605 5.2937 28.2457 C.3 29 VAL29 -0.0608 425 CG2 6.4607 6.5775 27.4553 C.3 29 VAL29 -0.0608 426 H 8.1900 6.4000 29.4610 H 29 VAL29 0.1312 427 HA 5.4689 7.1102 30.0815 H 29 VAL29 0.0560 428 HB 6.5188 4.7251 28.4944 H 29 VAL29 0.0315 429 HG11 4.3495 4.8834 27.2413 H 29 VAL29 0.0233 430 HG12 3.8301 6.1811 28.3093 H 29 VAL29 0.0233 431 HG13 4.0705 4.5551 28.9439 H 29 VAL29 0.0233 432 HG21 6.3038 6.1446 26.4677 H 29 VAL29 0.0233 433 HG22 7.5273 6.7756 27.5555 H 29 VAL29 0.0233 434 HG23 5.9407 7.5331 27.4840 H 29 VAL29 0.0233 435 N 4.5760 5.3320 31.6630 N.am 30 GLY30 -0.2485 436 CA 4.1350 4.3990 32.6660 C.3 30 GLY30 0.0765 437 C 3.6060 3.1020 32.1020 C.2 30 GLY30 0.2155 438 O 3.3330 2.9650 30.9140 O.2 30 GLY30 -0.2781 439 H 3.9790 6.1250 31.4260 H 30 GLY30 0.1309 440 HA1 3.3405 4.8962 33.2221 H 30 GLY30 0.0521 441 HA2 4.9636 4.2096 33.3505 H 30 GLY30 0.0521 442 N 3.4210 2.1250 32.9970 N.am 31 PHE31 -0.2456 443 CA 3.0870 0.7740 32.6430 C.3 31 PHE31 0.0917 444 C 1.8970 0.7000 31.7050 C.2 31 PHE31 0.2190 445 O 1.9570 0.0520 30.6450 O.2 31 PHE31 -0.2778 446 CB 2.8842 -0.0900 33.8963 C.3 31 PHE31 -0.0036 447 CG 2.8533 -1.5551 33.5443 C.ar 31 PHE31 -0.0454 448 CD1 1.6427 -2.2060 33.3259 C.ar 31 PHE31 -0.0585 449 CD2 4.0393 -2.2703 33.4023 C.ar 31 PHE31 -0.0585 450 CE1 1.6171 -3.5494 32.9763 C.ar 31 PHE31 -0.0615 451 CE2 4.0166 -3.6139 33.0501 C.ar 31 PHE31 -0.0615 452 CZ 2.8042 -4.2542 32.8359 C.ar 31 PHE31 -0.0617 453 H 3.5230 2.3530 33.9860 H 31 PHE31 0.1312 454 HA 3.9502 0.4047 32.0881 H 31 PHE31 0.0560 455 HB1 1.9691 0.1870 34.4223 H 31 PHE31 0.0333 456 HB2 3.7006 0.0795 34.5991 H 31 PHE31 0.0333 457 HD1 0.7112 -1.6669 33.4256 H 31 PHE31 0.0620 458 HD2 4.9861 -1.7821 33.5775 H 31 PHE31 0.0620 459 HE1 0.6711 -4.0469 32.8169 H 31 PHE31 0.0618 460 HE2 4.9392 -4.1685 32.9617 H 31 PHE31 0.0618 461 HZ 2.7798 -5.3030 32.5773 H 31 PHE31 0.0618 462 N 0.7560 1.2460 32.1070 N.am 32 ALA32 -0.2459 463 CA -0.4770 0.9930 31.3400 C.3 32 ALA32 0.0850 464 C -0.3640 1.5950 29.9450 C.2 32 ALA32 0.2185 465 O -0.7770 0.9650 28.9550 O.2 32 ALA32 -0.2778 466 CB -1.6698 1.5913 32.0935 C.3 32 ALA32 -0.0411 467 H 0.7320 1.8350 32.9390 H 32 ALA32 0.1312 468 HA -0.5946 -0.0882 31.2453 H 32 ALA32 0.0554 469 HB1 -2.6054 1.4060 31.5643 H 32 ALA32 0.0249 470 HB2 -1.5638 2.6696 32.2194 H 32 ALA32 0.0249 471 HB3 -1.7605 1.1501 33.0861 H 32 ALA32 0.0249 472 N 0.1610 2.8190 29.8510 N.am 33 THR33 -0.2434 473 CA 0.3570 3.4020 28.5120 C.3 33 THR33 0.1135 474 C 1.3330 2.5890 27.7210 C.2 33 THR33 0.2212 475 O 1.1130 2.3900 26.5030 O.2 33 THR33 -0.2777 476 CB 0.8583 4.8516 28.6730 C.3 33 THR33 0.0763 477 OG1 -0.0726 5.5284 29.5024 O.3 33 THR33 -0.3900 478 CG2 1.0098 5.5809 27.3240 C.3 33 THR33 -0.0370 479 H 0.4210 3.3390 30.6890 H 33 THR33 0.1313 480 HA -0.6087 3.3929 28.0036 H 33 THR33 0.0583 481 HB 1.8263 4.8209 29.1848 H 33 THR33 0.0611 482 HG1 0.1814 6.4387 29.6261 H 33 THR33 0.2098 483 HG21 1.4001 6.5918 27.4465 H 33 THR33 0.0255 484 HG22 0.0478 5.6514 26.8183 H 33 THR33 0.0255 485 HG23 1.6980 5.0585 26.6593 H 33 THR33 0.0255 486 N 2.4380 2.1010 28.3070 N.am 34 ARG34 -0.2456 487 CA 3.3430 1.2730 27.5250 C.3 34 ARG34 0.0879 488 C 2.6370 0.0480 26.9710 C.2 34 ARG34 0.2187 489 O 2.9070 -0.3620 25.8310 O.2 34 ARG34 -0.2778 490 CB 4.5567 0.8546 28.3507 C.3 34 ARG34 -0.0258 491 CG 5.4987 2.0191 28.6788 C.3 34 ARG34 -0.0154 492 CD 6.9714 1.6189 28.5950 C.3 34 ARG34 0.1045 493 NE 7.2287 0.3454 29.2334 N.pl3 34 ARG34 -0.4450 494 CZ 7.3602 0.1474 30.5214 C.cat 34 ARG34 0.5062 495 NH1 7.2287 1.1265 31.3809 N.pl3 34 ARG34 -0.4573 496 NH2 7.6345 -1.0687 30.8983 N.pl3 34 ARG34 -0.4573 497 H 2.6400 2.3080 29.2850 H 34 ARG34 0.1312 498 HA 3.6644 1.8735 26.6709 H 34 ARG34 0.0557 499 HB1 5.0998 0.1326 27.7503 H 34 ARG34 0.0286 500 HB2 4.2554 0.3374 29.2623 H 34 ARG34 0.0286 501 HG1 5.2760 2.4258 29.6618 H 34 ARG34 0.0299 502 HG2 5.3391 2.8258 27.9663 H 34 ARG34 0.0299 503 HD1 7.6506 2.3841 28.9769 H 34 ARG34 0.0711 504 HD2 7.2241 1.4155 27.5618 H 34 ARG34 0.0711 505 HE 7.3207 -0.4531 28.6252 H 34 ARG34 0.3153 506 HH11 7.3445 0.9809 32.3581 H 34 ARG34 0.3114 507 HH12 7.0145 2.0435 31.0383 H 34 ARG34 0.3114 508 HH21 7.7284 -1.3206 31.8553 H 34 ARG34 0.3114 509 HH22 7.7547 -1.7410 30.1565 H 34 ARG34 0.3114 510 N 1.8000 -0.5990 27.7610 N.am 35 LYS35 -0.2457 511 CA 1.1630 -1.8160 27.2650 C.3 35 LYS35 0.0878 512 C 0.2310 -1.5090 26.1000 C.2 35 LYS35 0.2187 513 O 0.2530 -2.2120 25.0740 O.2 35 LYS35 -0.2778 514 CB 0.5401 -2.6312 28.4031 C.3 35 LYS35 -0.0289 515 CG 1.5742 -3.1303 29.4373 C.3 35 LYS35 -0.0496 516 CD 2.8024 -3.8629 28.8455 C.3 35 LYS35 -0.0278 517 CE 4.0750 -2.9919 28.8102 C.3 35 LYS35 0.1103 518 NZ 5.1970 -3.5608 28.0610 N.4 35 LYS35 -0.0749 519 H 1.6020 -0.2550 28.7010 H 35 LYS35 0.1312 520 HA 1.9561 -2.4164 26.8200 H 35 LYS35 0.0557 521 HB1 0.0274 -3.4960 27.9795 H 35 LYS35 0.0285 522 HB2 -0.2263 -2.0386 28.9052 H 35 LYS35 0.0285 523 HG1 1.0526 -3.8116 30.1104 H 35 LYS35 0.0266 524 HG2 1.9038 -2.3063 30.0681 H 35 LYS35 0.0266 525 HD1 2.5674 -4.2531 27.8548 H 35 LYS35 0.0282 526 HD2 3.0129 -4.7414 29.4570 H 35 LYS35 0.0282 527 HE1 4.4147 -2.8043 29.8301 H 35 LYS35 0.0559 528 HE2 3.8705 -2.0166 28.3723 H 35 LYS35 0.0559 529 HZ1 6.0617 -2.9944 28.2298 H 35 LYS35 0.2742 530 HZ2 5.0330 -3.4655 27.0388 H 35 LYS35 0.2742 531 HZ3 5.3769 -4.5481 28.3200 H 35 LYS35 0.2742 532 N -0.6010 -0.5010 26.2420 N.am 36 VAL36 -0.2454 533 CA -1.5750 -0.1870 25.1840 C.3 36 VAL36 0.0901 534 C -0.8990 0.4350 23.9710 C.2 36 VAL36 0.2189 535 O -1.2240 0.0960 22.7960 O.2 36 VAL36 -0.2778 536 CB -2.6602 0.7520 25.7561 C.3 36 VAL36 -0.0227 537 CG1 -3.6995 1.1594 24.6963 C.3 36 VAL36 -0.0608 538 CG2 -3.3776 0.1136 26.9562 C.3 36 VAL36 -0.0608 539 H -0.5720 0.0660 27.0890 H 36 VAL36 0.1312 540 HA -2.0365 -1.1246 24.8686 H 36 VAL36 0.0560 541 HB -2.1709 1.6610 26.1112 H 36 VAL36 0.0315 542 HG11 -4.4527 1.8226 25.1223 H 36 VAL36 0.0233 543 HG12 -4.2145 0.2858 24.2962 H 36 VAL36 0.0233 544 HG13 -3.2440 1.6864 23.8585 H 36 VAL36 0.0233 545 HG21 -4.1270 0.7907 27.3668 H 36 VAL36 0.0233 546 HG22 -2.6900 -0.1328 27.7640 H 36 VAL36 0.0233 547 HG23 -3.8866 -0.8052 26.6641 H 36 VAL36 0.0233 548 N 0.0550 1.3100 24.1920 N.am 37 ALA37 -0.2459 549 CA 0.8050 1.8980 23.0540 C.3 37 ALA37 0.0850 550 C 1.6470 0.8580 22.3670 C.2 37 ALA37 0.2182 551 O 1.8020 0.8960 21.1180 O.2 37 ALA37 -0.2778 552 CB 1.7027 3.0185 23.5895 C.3 37 ALA37 -0.0411 553 H 0.2810 1.5860 25.1480 H 37 ALA37 0.1312 554 HA 0.0769 2.2962 22.3452 H 37 ALA37 0.0554 555 HB1 2.2448 3.5062 22.7817 H 37 ALA37 0.0249 556 HB2 2.4376 2.6384 24.3007 H 37 ALA37 0.0249 557 HB3 1.1128 3.7771 24.1031 H 37 ALA37 0.0249 558 N 2.2460 -0.0840 23.1040 N.am 38 GLY38 -0.2485 559 CA 3.0540 -1.0990 22.4920 C.3 38 GLY38 0.0765 560 C 2.2550 -2.0520 21.6130 C.2 38 GLY38 0.2155 561 O 2.7740 -2.6150 20.6380 O.2 38 GLY38 -0.2781 562 H 2.1260 -0.0800 24.1170 H 38 GLY38 0.1309 563 HA1 3.5220 -1.6583 23.3014 H 38 GLY38 0.0521 564 HA2 3.8345 -0.6118 21.9074 H 38 GLY38 0.0521 565 N 0.9670 -2.1890 21.9070 N.am 39 MET39 -0.2459 566 CA 0.0790 -2.9870 21.0710 C.3 39 MET39 0.0885 567 C -0.3540 -2.2740 19.7980 C.2 39 MET39 0.2187 568 O -0.8990 -2.8890 18.9530 O.2 39 MET39 -0.2778 569 CB -1.1469 -3.3869 21.9101 C.3 39 MET39 -0.0199 570 CG -0.8228 -4.5085 22.9022 C.3 39 MET39 -0.0047 571 SD -0.4072 -6.0328 22.0261 S.3 39 MET39 -0.1641 572 CE -1.9641 -6.9133 22.2531 C.3 39 MET39 -0.0181 573 H 0.5920 -1.7260 22.7350 H 39 MET39 0.1312 574 HA 0.6255 -3.8819 20.7743 H 39 MET39 0.0557 575 HB1 -1.9628 -3.7283 21.2712 H 39 MET39 0.0293 576 HB2 -1.5266 -2.5157 22.4464 H 39 MET39 0.0293 577 HG1 -1.6571 -4.6852 23.5821 H 39 MET39 0.0377 578 HG2 0.0210 -4.2273 23.5324 H 39 MET39 0.0377 579 HE1 -1.9581 -7.8547 21.7036 H 39 MET39 0.0340 580 HE2 -2.7954 -6.3040 21.8977 H 39 MET39 0.0340 581 HE3 -2.1325 -7.1151 23.3113 H 39 MET39 0.0340 582 N -0.2170 -0.9580 19.7120 N.am 40 ALA40 -0.2459 583 CA -0.7280 -0.2080 18.5940 C.3 40 ALA40 0.0850 584 C -0.0250 -0.6250 17.2930 C.2 40 ALA40 0.2184 585 O 1.1710 -0.9070 17.2530 O.2 40 ALA40 -0.2778 586 CB -0.5101 1.2857 18.8681 C.3 40 ALA40 -0.0411 587 H 0.2650 -0.4610 20.4610 H 40 ALA40 0.1312 588 HA -1.7964 -0.4230 18.5214 H 40 ALA40 0.0554 589 HB1 -0.9228 1.9042 18.0719 H 40 ALA40 0.0249 590 HB2 0.5499 1.5243 18.9567 H 40 ALA40 0.0249 591 HB3 -0.9926 1.5822 19.8002 H 40 ALA40 0.0249 592 N -0.7650 -0.5280 16.2180 N.am 41 LYS41 -0.2457 593 CA -0.2560 -0.7880 14.8650 C.3 41 LYS41 0.0880 594 C -0.5580 0.4580 14.0180 C.2 41 LYS41 0.2213 595 O -1.4880 0.4810 13.1980 O.2 41 LYS41 -0.2776 596 CB -0.9646 -2.0280 14.2628 C.3 41 LYS41 -0.0289 597 CG -1.2043 -3.2041 15.2267 C.3 41 LYS41 -0.0496 598 CD 0.0627 -3.8319 15.8222 C.3 41 LYS41 -0.0278 599 CE -0.2752 -4.9390 16.8357 C.3 41 LYS41 0.1103 600 NZ 0.6121 -4.9341 17.9990 N.4 41 LYS41 -0.0749 601 H -1.7430 -0.2590 16.3250 H 41 LYS41 0.1312 602 HA 0.8188 -0.9644 14.8948 H 41 LYS41 0.0557 603 HB1 -0.4087 -2.3713 13.3893 H 41 LYS41 0.0285 604 HB2 -1.9516 -1.7498 13.8899 H 41 LYS41 0.0285 605 HG1 -1.7589 -3.9774 14.6932 H 41 LYS41 0.0266 606 HG2 -1.8644 -2.8782 16.0317 H 41 LYS41 0.0266 607 HD1 0.6518 -3.0596 16.3088 H 41 LYS41 0.0282 608 HD2 0.6952 -4.2284 15.0267 H 41 LYS41 0.0282 609 HE1 -0.2322 -5.9219 16.3616 H 41 LYS41 0.0559 610 HE2 -1.2934 -4.8163 17.2123 H 41 LYS41 0.0559 611 HZ1 0.3357 -5.6879 18.6610 H 41 LYS41 0.2742 612 HZ2 0.5262 -4.0150 18.4829 H 41 LYS41 0.2742 613 HZ3 1.5974 -5.0737 17.6987 H 41 LYS41 0.2742 614 N 0.1530 1.5540 14.2420 N.am 42 PRO42 -0.2316 615 CA -0.2280 2.8050 13.6410 C.3 42 PRO42 0.0907 616 C -0.0080 2.8260 12.1330 C.2 42 PRO42 0.2189 617 O 0.8500 2.1860 11.5500 O.2 42 PRO42 -0.2778 618 CB 0.6838 3.8308 14.3293 C.3 42 PRO42 -0.0276 619 CG 1.9004 3.0203 14.7619 C.3 42 PRO42 -0.0379 620 CD 1.3365 1.6379 15.0888 C.3 42 PRO42 0.0071 621 HA -1.2808 2.9792 13.8557 H 42 PRO42 0.0559 622 HB1 0.1891 4.2297 15.2142 H 42 PRO42 0.0285 623 HB2 0.9434 4.6862 13.7023 H 42 PRO42 0.0285 624 HG1 2.4271 3.4765 15.5985 H 42 PRO42 0.0278 625 HG2 2.5923 2.9377 13.9239 H 42 PRO42 0.0278 626 HD1 2.0223 0.8336 14.8364 H 42 PRO42 0.0431 627 HD2 1.0101 1.5747 16.1264 H 42 PRO42 0.0431 628 N -0.8290 3.6540 11.5250 N.am 43 ASN43 -0.2452 629 CA -0.4970 4.1900 10.2150 C.3 43 ASN43 0.0957 630 C 0.1050 5.5730 10.3560 C.2 43 ASN43 0.2191 631 O -0.2480 6.3290 11.2350 O.2 43 ASN43 -0.2778 632 CB -1.7572 4.2683 9.3437 C.3 43 ASN43 0.0446 633 CG -2.3089 2.8596 9.0932 C.2 43 ASN43 0.2000 634 OD1 -1.6164 1.9779 8.6031 O.2 43 ASN43 -0.2797 635 ND2 -3.5895 2.7002 9.4586 N.am 43 ASN43 -0.2723 636 H -1.7040 3.9220 11.9750 H 43 ASN43 0.1312 637 HA 0.2369 3.5379 9.7447 H 43 ASN43 0.0562 638 HB1 -1.5320 4.7138 8.3740 H 43 ASN43 0.0375 639 HB2 -2.5207 4.8871 9.8180 H 43 ASN43 0.0375 640 HD21 -4.0264 1.8111 9.3304 H 43 ASN43 0.1266 641 HD22 -4.1150 3.4514 9.8563 H 43 ASN43 0.1266 642 N 1.0450 5.8820 9.5170 N.am 44 MET44 -0.2456 643 CA 1.7350 7.1630 9.4760 C.3 44 MET44 0.0885 644 C 1.3770 7.8060 8.1130 C.2 44 MET44 0.2187 645 O 1.6290 7.1830 7.0810 O.2 44 MET44 -0.2778 646 CB 3.2383 6.9972 9.7187 C.3 44 MET44 -0.0199 647 CG 3.9512 8.3519 9.8546 C.3 44 MET44 -0.0047 648 SD 5.6351 8.1678 10.4773 S.3 44 MET44 -0.1641 649 CE 6.3476 7.2634 9.0917 C.3 44 MET44 -0.0181 650 H 1.3210 5.1750 8.8360 H 44 MET44 0.1312 651 HA 1.3216 7.7889 10.2634 H 44 MET44 0.0557 652 HB1 3.6893 6.3984 8.9290 H 44 MET44 0.0293 653 HB2 3.3755 6.4343 10.6423 H 44 MET44 0.0293 654 HG1 3.4026 9.0143 10.5259 H 44 MET44 0.0377 655 HG2 3.9811 8.8471 8.8837 H 44 MET44 0.0377 656 HE1 7.3061 7.7083 8.8332 H 44 MET44 0.0340 657 HE2 5.7094 7.3180 8.2094 H 44 MET44 0.0340 658 HE3 6.5173 6.2202 9.3600 H 44 MET44 0.0340 659 N 0.8250 9.0090 8.1300 N.am 45 ILE45 -0.2454 660 CA 0.4010 9.6840 6.9190 C.3 45 ILE45 0.0903 661 C 1.1750 10.9840 6.8130 C.2 45 ILE45 0.2189 662 O 1.0580 11.8590 7.6870 O.2 45 ILE45 -0.2778 663 CB -1.1211 9.9200 6.9747 C.3 45 ILE45 -0.0201 664 CG1 -1.9166 8.6066 7.1515 C.3 45 ILE45 -0.0514 665 CG2 -1.6098 10.6647 5.7195 C.3 45 ILE45 -0.0605 666 CD1 -2.1152 8.1632 8.6102 C.3 45 ILE45 -0.0650 667 H 0.6930 9.4770 9.0260 H 45 ILE45 0.1312 668 HA 0.6371 9.0655 6.0534 H 45 ILE45 0.0560 669 HB -1.3259 10.5520 7.8355 H 45 ILE45 0.0318 670 HG11 -1.4466 7.8098 6.5770 H 45 ILE45 0.0266 671 HG12 -2.9124 8.7334 6.7252 H 45 ILE45 0.0266 672 HG21 -2.6854 10.8377 5.7620 H 45 ILE45 0.0233 673 HG22 -1.3982 10.0906 4.8166 H 45 ILE45 0.0233 674 HG23 -1.1344 11.6404 5.6169 H 45 ILE45 0.0233 675 HD11 -2.8076 7.3234 8.6671 H 45 ILE45 0.0230 676 HD12 -2.5335 8.9707 9.2079 H 45 ILE45 0.0230 677 HD13 -1.1939 7.8477 9.0915 H 45 ILE45 0.0230 678 N 1.9950 11.1020 5.7690 N.am 46 ILE46 -0.2454 679 CA 2.8930 12.2370 5.6130 C.3 46 ILE46 0.0903 680 C 2.4760 12.9850 4.3530 C.2 46 ILE46 0.2190 681 O 2.3000 12.3800 3.2750 O.2 46 ILE46 -0.2778 682 CB 4.3509 11.7341 5.5106 C.3 46 ILE46 -0.0201 683 CG1 4.7379 10.9036 6.7534 C.3 46 ILE46 -0.0514 684 CG2 5.3308 12.9037 5.2899 C.3 46 ILE46 -0.0605 685 CD1 6.1359 10.2794 6.6765 C.3 46 ILE46 -0.0650 686 H 1.9930 10.3730 5.0560 H 46 ILE46 0.1312 687 HA 2.7933 12.8982 6.4715 H 46 ILE46 0.0560 688 HB 4.4141 11.0749 4.6438 H 46 ILE46 0.0318 689 HG11 4.0269 10.0883 6.8871 H 46 ILE46 0.0266 690 HG12 4.6587 11.5205 7.6477 H 46 ILE46 0.0266 691 HG21 6.3561 12.5566 5.1785 H 46 ILE46 0.0233 692 HG22 5.3002 13.6058 6.1236 H 46 ILE46 0.0233 693 HG23 5.0976 13.4594 4.3813 H 46 ILE46 0.0233 694 HD11 6.3174 9.6405 7.5398 H 46 ILE46 0.0230 695 HD12 6.9193 11.0361 6.6626 H 46 ILE46 0.0230 696 HD13 6.2392 9.6656 5.7816 H 46 ILE46 0.0230 697 N 2.3370 14.2960 4.4730 N.am 47 SER47 -0.2436 698 CA 1.9820 15.1450 3.3380 C.3 47 SER47 0.1109 699 C 2.7610 16.4390 3.4260 C.2 47 SER47 0.2209 700 O 3.2620 16.8350 4.4960 O.2 47 SER47 -0.2777 701 CB 0.4664 15.3960 3.3274 C.3 47 SER47 0.0681 702 OG 0.0624 16.1001 4.4950 O.3 47 SER47 -0.3930 703 H 2.4820 14.7270 5.3860 H 47 SER47 0.1312 704 HA 2.2914 14.6447 2.4196 H 47 SER47 0.0580 705 HB1 -0.0439 14.4278 3.2715 H 47 SER47 0.0577 706 HB2 0.1941 15.9693 2.4352 H 47 SER47 0.0577 707 HG -0.8860 16.1983 4.5389 H 47 SER47 0.2095 708 N 2.8750 17.1150 2.2880 N.am 48 VAL48 -0.2453 709 CA 3.5880 18.3750 2.1860 C.3 48 VAL48 0.0901 710 C 2.7420 19.3460 1.3960 C.2 48 VAL48 0.2189 711 O 2.2330 18.9930 0.3290 O.2 48 VAL48 -0.2778 712 CB 4.9912 18.1803 1.5693 C.3 48 VAL48 -0.0227 713 CG1 5.7670 19.5077 1.4909 C.3 48 VAL48 -0.0608 714 CG2 5.8152 17.1530 2.3613 C.3 48 VAL48 -0.0608 715 H 2.4420 16.7310 1.4480 H 48 VAL48 0.1312 716 HA 3.6961 18.7863 3.1907 H 48 VAL48 0.0560 717 HB 4.8765 17.7973 0.5538 H 48 VAL48 0.0315 718 HG11 6.7680 19.3532 1.0871 H 48 VAL48 0.0233 719 HG12 5.8731 19.9625 2.4768 H 48 VAL48 0.0233 720 HG13 5.2703 20.2311 0.8441 H 48 VAL48 0.0233 721 HG21 6.8220 17.0569 1.9533 H 48 VAL48 0.0233 722 HG22 5.3624 16.1648 2.3336 H 48 VAL48 0.0233 723 HG23 5.9006 17.4431 3.4073 H 48 VAL48 0.0233 724 N 2.6440 20.5690 1.8650 N.am 49 ASN49 -0.2452 725 CA 1.9350 21.6430 1.1530 C.3 49 ASN49 0.0957 726 C 2.8270 22.8690 1.3050 C.2 49 ASN49 0.2189 727 O 2.9480 23.4390 2.3880 O.2 49 ASN49 -0.2778 728 CB 0.5631 21.8465 1.8128 C.3 49 ASN49 0.0446 729 CG -0.2667 22.9132 1.0875 C.2 49 ASN49 0.2000 730 OD1 -1.0535 22.6189 0.1993 O.2 49 ASN49 -0.2797 731 ND2 -0.0470 24.1636 1.5209 N.am 49 ASN49 -0.2723 732 H 3.0790 20.7830 2.7630 H 49 ASN49 0.1312 733 HA 1.8466 21.3837 0.0957 H 49 ASN49 0.0562 734 HB1 0.6684 22.1208 2.8634 H 49 ASN49 0.0375 735 HB2 0.0011 20.9135 1.7859 H 49 ASN49 0.0375 736 HD21 -0.5600 24.9214 1.1200 H 49 ASN49 0.1266 737 HD22 0.6282 24.3508 2.2349 H 49 ASN49 0.1266 738 N 3.5190 23.2420 0.2290 N.am 50 GLY50 -0.2485 739 CA 4.4800 24.3230 0.3140 C.3 50 GLY50 0.0765 740 C 5.6210 23.9670 1.2500 C.2 50 GLY50 0.2155 741 O 6.2100 22.9130 1.1140 O.2 50 GLY50 -0.2781 742 H 3.3710 22.7640 -0.6600 H 50 GLY50 0.1309 743 HA1 3.9679 25.2251 0.6531 H 50 GLY50 0.0521 744 HA2 4.8762 24.4931 -0.6859 H 50 GLY50 0.0521 745 N 5.9070 24.8310 2.2100 N.am 51 ASP51 -0.2454 746 CA 6.9230 24.5740 3.2030 C.3 51 ASP51 0.0974 747 C 6.4220 23.7950 4.4160 C.2 51 ASP51 0.2192 748 O 7.2130 23.4600 5.2900 O.2 51 ASP51 -0.2778 749 CB 7.4556 25.9252 3.7114 C.3 51 ASP51 0.0576 750 CG 7.8573 26.8296 2.5433 C.2 51 ASP51 0.1780 751 OD1 9.0054 26.7563 2.1147 O.co2 51 ASP51 -0.6478 752 OD2 7.0124 27.5943 2.0784 O.co2 51 ASP51 -0.6478 753 H 5.3910 25.7100 2.2500 H 51 ASP51 0.1312 754 HA 7.7360 24.0197 2.7304 H 51 ASP51 0.0563 755 HB1 8.3230 25.7887 4.3566 H 51 ASP51 0.0394 756 HB2 6.7004 26.4507 4.2964 H 51 ASP51 0.0394 757 N 5.1220 23.5030 4.4640 N.am 52 VAL52 -0.2454 758 CA 4.5590 22.8840 5.6570 C.3 52 VAL52 0.0901 759 C 4.4440 21.3720 5.4530 C.2 52 VAL52 0.2189 760 O 3.7880 20.8850 4.5170 O.2 52 VAL52 -0.2778 761 CB 3.1848 23.5067 5.9747 C.3 52 VAL52 -0.0227 762 CG1 2.5565 22.8847 7.2357 C.3 52 VAL52 -0.0608 763 CG2 3.2942 25.0308 6.1413 C.3 52 VAL52 -0.0608 764 H 4.5220 23.7130 3.6660 H 52 VAL52 0.1312 765 HA 5.2213 23.0763 6.5038 H 52 VAL52 0.0560 766 HB 2.5165 23.3141 5.1335 H 52 VAL52 0.0315 767 HG11 1.6020 23.3552 7.4716 H 52 VAL52 0.0233 768 HG12 3.2108 23.0049 8.1001 H 52 VAL52 0.0233 769 HG13 2.3669 21.8178 7.1110 H 52 VAL52 0.0233 770 HG21 2.3264 25.4683 6.3861 H 52 VAL52 0.0233 771 HG22 3.6446 25.5136 5.2284 H 52 VAL52 0.0233 772 HG23 3.9890 25.2894 6.9410 H 52 VAL52 0.0233 773 N 5.0960 20.6300 6.3510 N.am 53 ILE53 -0.2454 774 CA 5.0200 19.1790 6.3730 C.3 53 ILE53 0.0903 775 C 4.0260 18.7900 7.4840 C.2 53 ILE53 0.2190 776 O 4.0710 19.3560 8.5770 O.2 53 ILE53 -0.2778 777 CB 6.4267 18.5978 6.6382 C.3 53 ILE53 -0.0201 778 CG1 7.4605 19.1131 5.6108 C.3 53 ILE53 -0.0514 779 CG2 6.3938 17.0570 6.6724 C.3 53 ILE53 -0.0605 780 CD1 8.9063 18.7109 5.9289 C.3 53 ILE53 -0.0650 781 H 5.6710 21.1000 7.0500 H 53 ILE53 0.1312 782 HA 4.6456 18.8238 5.4113 H 53 ILE53 0.0560 783 HB 6.7427 18.9559 7.6177 H 53 ILE53 0.0318 784 HG11 7.4347 20.2022 5.5653 H 53 ILE53 0.0266 785 HG12 7.1975 18.7700 4.6112 H 53 ILE53 0.0266 786 HG21 7.3717 16.6371 6.9024 H 53 ILE53 0.0233 787 HG22 6.0706 16.6500 5.7138 H 53 ILE53 0.0233 788 HG23 5.7094 16.6858 7.4351 H 53 ILE53 0.0233 789 HD11 9.5955 19.1657 5.2171 H 53 ILE53 0.0230 790 HD12 9.0509 17.6325 5.8775 H 53 ILE53 0.0230 791 HD13 9.1926 19.0477 6.9243 H 53 ILE53 0.0230 792 N 3.1540 17.8270 7.1730 N.am 54 THR54 -0.2434 793 CA 2.2300 17.2860 8.1550 C.3 54 THR54 0.1135 794 C 2.4970 15.7960 8.3040 C.2 54 THR54 0.2212 795 O 2.5660 15.0640 7.3220 O.2 54 THR54 -0.2777 796 CB 0.7723 17.5528 7.7353 C.3 54 THR54 0.0763 797 OG1 0.6377 18.9492 7.5101 O.3 54 THR54 -0.3900 798 CG2 -0.2325 17.0717 8.8050 C.3 54 THR54 -0.0370 799 H 3.1370 17.4620 6.2210 H 54 THR54 0.1313 800 HA 2.4107 17.7725 9.1085 H 54 THR54 0.0583 801 HB 0.5892 17.0219 6.7951 H 54 THR54 0.0611 802 HG1 -0.2649 19.1626 7.2985 H 54 THR54 0.2098 803 HG21 -1.2679 17.2355 8.5046 H 54 THR54 0.0255 804 HG22 -0.0757 17.5899 9.7511 H 54 THR54 0.0255 805 HG23 -0.1343 16.0033 8.9974 H 54 THR54 0.0255 806 N 2.6240 15.3470 9.5700 N.am 55 ILE55 -0.2453 807 CA 2.7650 13.9390 9.8960 C.3 55 ILE55 0.0903 808 C 1.6360 13.5730 10.8470 C.2 55 ILE55 0.2189 809 O 1.5410 14.1140 11.9460 O.2 55 ILE55 -0.2778 810 CB 4.1587 13.6444 10.4981 C.3 55 ILE55 -0.0201 811 CG1 5.2834 14.0722 9.5298 C.3 55 ILE55 -0.0514 812 CG2 4.2913 12.1548 10.8746 C.3 55 ILE55 -0.0605 813 CD1 6.6990 13.8742 10.0883 C.3 55 ILE55 -0.0650 814 H 2.6210 16.0260 10.3310 H 55 ILE55 0.1312 815 HA 2.6372 13.3538 8.9836 H 55 ILE55 0.0560 816 HB 4.2631 14.2337 11.4101 H 55 ILE55 0.0318 817 HG11 5.1708 15.1265 9.2776 H 55 ILE55 0.0266 818 HG12 5.1839 13.5319 8.5886 H 55 ILE55 0.0266 819 HG21 5.2435 11.9437 11.3581 H 55 ILE55 0.0233 820 HG22 4.2110 11.5184 9.9930 H 55 ILE55 0.0233 821 HG23 3.5137 11.8453 11.5734 H 55 ILE55 0.0233 822 HD11 7.4416 14.2662 9.3935 H 55 ILE55 0.0230 823 HD12 6.9288 12.8209 10.2431 H 55 ILE55 0.0230 824 HD13 6.8219 14.3957 11.0381 H 55 ILE55 0.0230 825 N 0.7790 12.6490 10.4080 N.am 56 LYS56 -0.2456 826 CA -0.2740 12.1040 11.2400 C.3 56 LYS56 0.0878 827 C 0.1160 10.6770 11.6510 C.2 56 LYS56 0.2187 828 O 0.7070 9.9310 10.8530 O.2 56 LYS56 -0.2778 829 CB -1.6540 11.9747 10.5270 C.3 56 LYS56 -0.0289 830 CG -1.9266 12.8450 9.2892 C.3 56 LYS56 -0.0496 831 CD -3.2046 12.4029 8.5345 C.3 56 LYS56 -0.0278 832 CE -4.5526 12.8894 9.0932 C.3 56 LYS56 0.1103 833 NZ -4.8128 12.5582 10.4879 N.4 56 LYS56 -0.0749 834 H 0.8690 12.3130 9.4490 H 56 LYS56 0.1312 835 HA -0.3786 12.7226 12.1286 H 56 LYS56 0.0557 836 HB1 -2.4309 12.1484 11.2712 H 56 LYS56 0.0285 837 HB2 -1.8186 10.9461 10.1990 H 56 LYS56 0.0285 838 HG1 -1.0919 12.7390 8.5986 H 56 LYS56 0.0266 839 HG2 -1.9574 13.9014 9.5398 H 56 LYS56 0.0266 840 HD1 -3.2390 11.3159 8.4675 H 56 LYS56 0.0282 841 HD2 -3.1293 12.7559 7.5058 H 56 LYS56 0.0282 842 HE1 -5.3611 12.4516 8.5074 H 56 LYS56 0.0559 843 HE2 -4.6446 13.9682 8.9808 H 56 LYS56 0.0559 844 HZ1 -5.7404 12.9106 10.7789 H 56 LYS56 0.2742 845 HZ2 -4.1296 13.0599 11.0919 H 56 LYS56 0.2742 846 HZ3 -4.7922 11.5277 10.6435 H 56 LYS56 0.2742 847 N -0.2060 10.2960 12.8760 N.am 57 SER57 -0.2436 848 CA -0.0030 8.9050 13.4110 C.3 57 SER57 0.1109 849 C -1.3670 8.4600 13.9160 C.2 57 SER57 0.2209 850 O -1.9360 9.1170 14.7800 O.2 57 SER57 -0.2777 851 CB 1.0350 8.9021 14.5378 C.3 57 SER57 0.0681 852 OG 1.4149 7.5672 14.8667 O.3 57 SER57 -0.3930 853 H -0.6190 10.9910 13.4980 H 57 SER57 0.1312 854 HA 0.3154 8.2608 12.5925 H 57 SER57 0.0580 855 HB1 0.6240 9.4200 15.4103 H 57 SER57 0.0577 856 HB2 1.9140 9.4615 14.2039 H 57 SER57 0.0577 857 HG 1.9868 7.5566 15.6298 H 57 SER57 0.2095 858 N -1.9010 7.3900 13.3580 N.am 58 GLU58 -0.2456 859 CA -3.2110 6.9440 13.6860 C.3 58 GLU58 0.0883 860 C -3.2800 5.5250 14.0380 C.2 58 GLU58 0.2187 861 O -2.8350 4.6890 13.3210 O.2 58 GLU58 -0.2778 862 CB -4.1360 7.4659 12.5521 C.3 58 GLU58 -0.0193 863 CG -3.9818 9.0105 12.4291 C.3 58 GLU58 0.0356 864 CD -4.8960 9.7771 11.4675 C.2 58 GLU58 0.1760 865 OE1 -4.6763 9.7526 10.2633 O.co2 58 GLU58 -0.6478 866 OE2 -5.8148 10.4536 11.9124 O.co2 58 GLU58 -0.6478 867 H -1.3580 6.8670 12.6710 H 58 GLU58 0.1312 868 HA -3.5316 7.4663 14.5893 H 58 GLU58 0.0557 869 HB1 -5.1725 7.2051 12.7602 H 58 GLU58 0.0290 870 HB2 -3.8793 6.9953 11.6023 H 58 GLU58 0.0290 871 HG1 -2.9806 9.2658 12.0872 H 58 GLU58 0.0374 872 HG2 -4.0977 9.4684 13.4113 H 58 GLU58 0.0374 873 N -3.8950 5.2610 15.2120 N.am 59 SER59 -0.2436 874 CA -3.9800 3.8880 15.7010 C.3 59 SER59 0.1109 875 C -5.1810 3.8110 16.6340 C.2 59 SER59 0.2210 876 O -5.8380 4.8330 16.9450 O.2 59 SER59 -0.2777 877 CB -2.6978 3.5451 16.4808 C.3 59 SER59 0.0681 878 OG -2.5058 4.3324 17.6448 O.3 59 SER59 -0.3930 879 H -4.3000 6.0220 15.7570 H 59 SER59 0.1312 880 HA -4.1444 3.2185 14.8550 H 59 SER59 0.0580 881 HB1 -1.8247 3.6507 15.8385 H 59 SER59 0.0577 882 HB2 -2.7195 2.4996 16.7900 H 59 SER59 0.0577 883 HG -2.6925 5.2466 17.4348 H 59 SER59 0.2095 884 N -5.4290 2.6280 17.1400 N.am 60 THR60 -0.2433 885 CA -6.4550 2.4710 18.1460 C.3 60 THR60 0.1135 886 C -6.1060 3.1560 19.4420 C.2 60 THR60 0.2212 887 O -7.0210 3.4250 20.2420 O.2 60 THR60 -0.2777 888 CB -6.6828 0.9680 18.3947 C.3 60 THR60 0.0763 889 OG1 -5.4340 0.3537 18.6914 O.3 60 THR60 -0.3900 890 CG2 -7.3202 0.2890 17.1719 C.3 60 THR60 -0.0370 891 H -4.8970 1.8170 16.8230 H 60 THR60 0.1313 892 HA -7.3696 2.9301 17.7655 H 60 THR60 0.0583 893 HB -7.3681 0.8649 19.2466 H 60 THR60 0.0611 894 HG1 -5.5626 -0.5562 18.9414 H 60 THR60 0.2098 895 HG21 -7.5707 -0.7525 17.3743 H 60 THR60 0.0255 896 HG22 -6.6501 0.3093 16.3124 H 60 THR60 0.0255 897 HG23 -8.2433 0.7934 16.8856 H 60 THR60 0.0255 898 N -4.8120 3.3830 19.7250 N.am 61 PHE61 -0.2453 899 CA -4.3400 4.0410 20.9250 C.3 61 PHE61 0.0917 900 C -4.5730 5.5440 20.8650 C.2 61 PHE61 0.2190 901 O -5.1920 6.1110 21.7620 O.2 61 PHE61 -0.2778 902 CB -2.8435 3.6942 21.0874 C.3 61 PHE61 -0.0036 903 CG -2.1119 4.5280 22.1124 C.ar 61 PHE61 -0.0454 904 CD1 -2.5510 4.5876 23.4319 C.ar 61 PHE61 -0.0585 905 CD2 -0.9792 5.2524 21.7477 C.ar 61 PHE61 -0.0585 906 CE1 -1.8814 5.3688 24.3653 C.ar 61 PHE61 -0.0615 907 CE2 -0.3060 6.0303 22.6803 C.ar 61 PHE61 -0.0615 908 CZ -0.7614 6.0964 23.9880 C.ar 61 PHE61 -0.0617 909 H -4.1150 3.0710 19.0490 H 61 PHE61 0.1312 910 HA -4.9128 3.6440 21.7650 H 61 PHE61 0.0560 911 HB1 -2.3414 3.8060 20.1262 H 61 PHE61 0.0333 912 HB2 -2.7388 2.6427 21.3570 H 61 PHE61 0.0333 913 HD1 -3.4274 4.0340 23.7352 H 61 PHE61 0.0620 914 HD2 -0.6183 5.2162 20.7302 H 61 PHE61 0.0620 915 HE1 -2.2324 5.4085 25.3863 H 61 PHE61 0.0618 916 HE2 0.5766 6.5816 22.3936 H 61 PHE61 0.0618 917 HZ -0.2370 6.7045 24.7110 H 61 PHE61 0.0618 918 N -4.0670 6.1850 19.8240 N.am 62 LYS62 -0.2456 919 CA -4.1390 7.6140 19.6710 C.3 62 LYS62 0.0878 920 C -4.0800 7.9890 18.2020 C.2 62 LYS62 0.2187 921 O -3.4370 7.3430 17.4050 O.2 62 LYS62 -0.2778 922 CB -2.9905 8.2463 20.5216 C.3 62 LYS62 -0.0289 923 CG -3.0754 9.7630 20.8494 C.3 62 LYS62 -0.0496 924 CD -3.8789 10.1444 22.1223 C.3 62 LYS62 -0.0278 925 CE -3.1496 9.9704 23.4845 C.3 62 LYS62 0.1103 926 NZ -2.4914 11.1605 24.0727 N.4 62 LYS62 -0.0749 927 H -3.6040 5.6410 19.0960 H 62 LYS62 0.1312 928 HA -5.1125 7.9260 20.0563 H 62 LYS62 0.0557 929 HB1 -2.0490 8.0545 20.0044 H 62 LYS62 0.0285 930 HB2 -2.9020 7.7078 21.4657 H 62 LYS62 0.0285 931 HG1 -3.4933 10.2859 19.9889 H 62 LYS62 0.0266 932 HG2 -2.0649 10.1574 20.9568 H 62 LYS62 0.0266 933 HD1 -4.7911 9.5456 22.1282 H 62 LYS62 0.0282 934 HD2 -4.2166 11.1780 22.0379 H 62 LYS62 0.0282 935 HE1 -2.4195 9.1642 23.4057 H 62 LYS62 0.0559 936 HE2 -3.8762 9.6316 24.2257 H 62 LYS62 0.0559 937 HZ1 -2.0202 10.9363 24.9797 H 62 LYS62 0.2742 938 HZ2 -3.1701 11.9086 24.3225 H 62 LYS62 0.2742 939 HZ3 -1.7633 11.5520 23.4477 H 62 LYS62 0.2742 940 N -4.7330 9.0900 17.9220 N.am 63 ASN63 -0.2452 941 CA -4.5690 9.7600 16.6250 C.3 63 ASN63 0.0957 942 C -3.8980 11.1200 16.9270 C.2 63 ASN63 0.2192 943 O -4.3770 11.9070 17.7410 O.2 63 ASN63 -0.2778 944 CB -5.9202 10.0004 15.9333 C.3 63 ASN63 0.0446 945 CG -6.5907 8.6765 15.5482 C.2 63 ASN63 0.2000 946 OD1 -6.8506 7.8213 16.3833 O.2 63 ASN63 -0.2797 947 ND2 -6.8579 8.5612 14.2399 N.am 63 ASN63 -0.2723 948 H -5.3650 9.4880 18.6160 H 63 ASN63 0.1312 949 HA -3.9202 9.1753 15.9781 H 63 ASN63 0.0562 950 HB1 -5.7852 10.6005 15.0311 H 63 ASN63 0.0375 951 HB2 -6.6001 10.5479 16.5855 H 63 ASN63 0.0375 952 HD21 -7.3139 7.7427 13.8954 H 63 ASN63 0.1266 953 HD22 -6.6106 9.2754 13.5793 H 63 ASN63 0.1266 954 N -2.7230 11.3550 16.3680 N.am 64 THR64 -0.2434 955 CA -1.9630 12.5860 16.5200 C.3 64 THR64 0.1135 956 C -1.6970 13.2000 15.1740 C.2 64 THR64 0.2212 957 O -1.6580 12.5120 14.1710 O.2 64 THR64 -0.2777 958 CB -0.6609 12.3667 17.3207 C.3 64 THR64 0.0763 959 OG1 0.2201 11.4956 16.6266 O.3 64 THR64 -0.3900 960 CG2 -0.9483 11.7951 18.7188 C.3 64 THR64 -0.0370 961 H -2.3200 10.6190 15.7880 H 64 THR64 0.1313 962 HA -2.5865 13.3005 17.0598 H 64 THR64 0.0583 963 HB -0.1905 13.3525 17.4382 H 64 THR64 0.0611 964 HG1 1.0721 11.4737 17.0530 H 64 THR64 0.2098 965 HG21 -0.0516 11.7782 19.3388 H 64 THR64 0.0255 966 HG22 -1.3277 10.7750 18.6542 H 64 THR64 0.0255 967 HG23 -1.6937 12.3961 19.2395 H 64 THR64 0.0255 968 N -1.4200 14.4910 15.1900 N.am 65 GLU65 -0.2456 969 CA -1.0540 15.2080 13.9720 C.3 65 GLU65 0.0883 970 C -0.1220 16.3350 14.3470 C.2 65 GLU65 0.2187 971 O -0.4230 17.1090 15.2860 O.2 65 GLU65 -0.2778 972 CB -2.3398 15.6595 13.2668 C.3 65 GLU65 -0.0193 973 CG -2.1645 15.8508 11.7476 C.3 65 GLU65 0.0356 974 CD -3.4420 15.5286 10.9462 C.2 65 GLU65 0.1760 975 OE1 -4.3239 14.8347 11.4485 O.co2 65 GLU65 -0.6478 976 OE2 -3.5459 15.9617 9.8057 O.co2 65 GLU65 -0.6478 977 H -1.4630 14.9990 16.0740 H 65 GLU65 0.1312 978 HA -0.4970 14.5143 13.3440 H 65 GLU65 0.0557 979 HB1 -2.7577 16.5575 13.7227 H 65 GLU65 0.0290 980 HB2 -3.0755 14.8776 13.4534 H 65 GLU65 0.0290 981 HG1 -1.3872 15.1891 11.3678 H 65 GLU65 0.0374 982 HG2 -1.8453 16.8681 11.5228 H 65 GLU65 0.0374 983 N 0.9850 16.4620 13.6370 N.am 66 ILE66 -0.2454 984 CA 1.8780 17.6160 13.7560 C.3 66 ILE66 0.0903 985 C 2.0350 18.2180 12.3680 C.2 66 ILE66 0.2190 986 O 2.1370 17.5240 11.3750 O.2 66 ILE66 -0.2778 987 CB 3.2443 17.2157 14.3645 C.3 66 ILE66 -0.0201 988 CG1 3.9738 16.1148 13.5629 C.3 66 ILE66 -0.0514 989 CG2 3.0814 16.8157 15.8400 C.3 66 ILE66 -0.0605 990 CD1 5.4362 15.9247 13.9872 C.3 66 ILE66 -0.0650 991 H 1.2280 15.7230 12.9770 H 66 ILE66 0.1312 992 HA 1.4010 18.3686 14.3870 H 66 ILE66 0.0560 993 HB 3.8757 18.1062 14.3491 H 66 ILE66 0.0318 994 HG11 3.9724 16.3610 12.5023 H 66 ILE66 0.0266 995 HG12 3.4373 15.1699 13.6546 H 66 ILE66 0.0266 996 HG21 4.0465 16.6683 16.3250 H 66 ILE66 0.0233 997 HG22 2.5137 15.8908 15.9427 H 66 ILE66 0.0233 998 HG23 2.5579 17.5903 16.4007 H 66 ILE66 0.0233 999 HD11 5.9298 15.1863 13.3560 H 66 ILE66 0.0230 1000 HD12 5.5154 15.5842 15.0200 H 66 ILE66 0.0230 1001 HD13 5.9910 16.8592 13.9008 H 66 ILE66 0.0230 1002 N 2.1080 19.5540 12.3330 N.am 67 SER67 -0.2436 1003 CA 2.4770 20.3020 11.1450 C.3 67 SER67 0.1109 1004 C 3.6180 21.2470 11.5190 C.2 67 SER67 0.2209 1005 O 3.6050 21.8150 12.6100 O.2 67 SER67 -0.2777 1006 CB 1.2694 21.0720 10.5970 C.3 67 SER67 0.0681 1007 OG 0.2143 20.1598 10.3259 O.3 67 SER67 -0.3930 1008 H 1.8930 20.0730 13.1850 H 67 SER67 0.1312 1009 HA 2.8267 19.5940 10.4048 H 67 SER67 0.0580 1010 HB1 1.5627 21.5976 9.6812 H 67 SER67 0.0577 1011 HB2 0.9368 21.8130 11.3310 H 67 SER67 0.0577 1012 HG -0.5289 20.5873 9.9088 H 67 SER67 0.2095 1013 N 4.5580 21.4140 10.6040 N.am 68 PHE68 -0.2453 1014 CA 5.7750 22.1560 10.9350 C.3 68 PHE68 0.0917 1015 C 6.4910 22.5600 9.6450 C.2 68 PHE68 0.2190 1016 O 6.2710 22.0340 8.5660 O.2 68 PHE68 -0.2778 1017 CB 6.6870 21.2789 11.8211 C.3 68 PHE68 -0.0036 1018 CG 7.0244 19.9523 11.1823 C.ar 68 PHE68 -0.0454 1019 CD1 6.1809 18.8541 11.3405 C.ar 68 PHE68 -0.0585 1020 CD2 8.1777 19.8088 10.4159 C.ar 68 PHE68 -0.0585 1021 CE1 6.4669 17.6453 10.7214 C.ar 68 PHE68 -0.0615 1022 CE2 8.4758 18.5951 9.8105 C.ar 68 PHE68 -0.0615 1023 CZ 7.6174 17.5144 9.9569 C.ar 68 PHE68 -0.0617 1024 H 4.4350 21.0260 9.6690 H 68 PHE68 0.1312 1025 HA 5.4812 23.0677 11.4589 H 68 PHE68 0.0560 1026 HB1 6.1899 21.0871 12.7724 H 68 PHE68 0.0333 1027 HB2 7.6082 21.8082 12.0693 H 68 PHE68 0.0333 1028 HD1 5.2829 18.9408 11.9357 H 68 PHE68 0.0620 1029 HD2 8.8423 20.6503 10.2800 H 68 PHE68 0.0620 1030 HE1 5.7890 16.8129 10.8395 H 68 PHE68 0.0618 1031 HE2 9.3695 18.4965 9.2137 H 68 PHE68 0.0618 1032 HZ 7.8397 16.5787 9.4682 H 68 PHE68 0.0618 1033 N 7.3910 23.5320 9.8510 N.am 69 ILE69 -0.2454 1034 CA 8.3430 23.9700 8.8480 C.3 69 ILE69 0.0903 1035 C 9.7200 23.5230 9.3200 C.2 69 ILE69 0.2189 1036 O 10.0550 23.6530 10.5140 O.2 69 ILE69 -0.2778 1037 CB 8.2223 25.4823 8.5774 C.3 69 ILE69 -0.0201 1038 CG1 6.8014 25.8263 8.0800 C.3 69 ILE69 -0.0514 1039 CG2 9.2812 25.9379 7.5560 C.3 69 ILE69 -0.0605 1040 CD1 6.5504 27.3283 7.9033 C.3 69 ILE69 -0.0650 1041 H 7.4070 23.9890 10.7630 H 69 ILE69 0.1312 1042 HA 8.1300 23.4377 7.9176 H 69 ILE69 0.0560 1043 HB 8.3919 26.0117 9.5148 H 69 ILE69 0.0318 1044 HG11 6.0594 25.4492 8.7834 H 69 ILE69 0.0266 1045 HG12 6.6069 25.3151 7.1360 H 69 ILE69 0.0266 1046 HG21 9.1902 26.9963 7.3196 H 69 ILE69 0.0233 1047 HG22 9.1845 25.3859 6.6205 H 69 ILE69 0.0233 1048 HG23 10.2933 25.7861 7.9310 H 69 ILE69 0.0233 1049 HD11 5.5052 27.5158 7.6570 H 69 ILE69 0.0230 1050 HD12 7.1499 27.7454 7.0946 H 69 ILE69 0.0230 1051 HD13 6.7826 27.8766 8.8164 H 69 ILE69 0.0230 1052 N 10.5400 22.9920 8.4140 N.am 70 LEU70 -0.2456 1053 CA 11.8640 22.5070 8.8000 C.3 70 LEU70 0.0880 1054 C 12.6530 23.6410 9.4550 C.2 70 LEU70 0.2185 1055 O 12.6890 24.7750 8.9940 O.2 70 LEU70 -0.2778 1056 CB 12.6031 21.9016 7.5961 C.3 70 LEU70 -0.0266 1057 CG 11.9387 20.6288 7.0326 C.3 70 LEU70 -0.0449 1058 CD1 12.6126 20.2076 5.7208 C.3 70 LEU70 -0.0626 1059 CD2 11.9656 19.4628 8.0341 C.3 70 LEU70 -0.0626 1060 H 10.2410 22.9230 7.4410 H 70 LEU70 0.1312 1061 HA 11.6842 21.7458 9.5560 H 70 LEU70 0.0557 1062 HB1 13.6304 21.6646 7.8767 H 70 LEU70 0.0287 1063 HB2 12.6690 22.6563 6.8108 H 70 LEU70 0.0287 1064 HG 10.8961 20.8543 6.8038 H 70 LEU70 0.0296 1065 HD11 12.1417 19.3168 5.3039 H 70 LEU70 0.0232 1066 HD12 13.6691 19.9867 5.8748 H 70 LEU70 0.0232 1067 HD13 12.5424 20.9981 4.9730 H 70 LEU70 0.0232 1068 HD21 11.5158 18.5688 7.6021 H 70 LEU70 0.0232 1069 HD22 11.4113 19.6927 8.9430 H 70 LEU70 0.0232 1070 HD23 12.9860 19.2111 8.3195 H 70 LEU70 0.0232 1071 N 13.3100 23.2930 10.5770 N.am 71 GLY71 -0.2485 1072 CA 14.1250 24.2240 11.3100 C.3 71 GLY71 0.0765 1073 C 13.4330 25.1440 12.2720 C.2 71 GLY71 0.2155 1074 O 14.1060 25.9150 12.9540 O.2 71 GLY71 -0.2781 1075 H 13.2270 22.3360 10.9190 H 71 GLY71 0.1309 1076 HA1 14.6970 24.8197 10.5971 H 71 GLY71 0.0521 1077 HA2 14.8345 23.6249 11.8784 H 71 GLY71 0.0521 1078 N 12.0900 25.0900 12.3260 N.am 72 GLN72 -0.2459 1079 CA 11.2860 26.0540 13.0880 C.3 72 GLN72 0.0882 1080 C 10.5930 25.3500 14.2200 C.2 72 GLN72 0.2187 1081 O 9.7140 24.5030 14.0230 O.2 72 GLN72 -0.2778 1082 CB 10.2567 26.7104 12.1538 C.3 72 GLN72 -0.0210 1083 CG 10.9166 27.4214 10.9601 C.3 72 GLN72 0.0225 1084 CD 9.9040 28.2643 10.1731 C.2 72 GLN72 0.1981 1085 OE1 8.7753 28.4817 10.5911 O.2 72 GLN72 -0.2798 1086 NE2 10.3806 28.7240 9.0078 N.am 72 GLN72 -0.2724 1087 H 11.6100 24.3480 11.8160 H 72 GLN72 0.1312 1088 HA 11.9441 26.8210 13.5011 H 72 GLN72 0.0557 1089 HB1 9.6706 27.4268 12.7326 H 72 GLN72 0.0289 1090 HB2 9.5520 25.9641 11.7823 H 72 GLN72 0.0289 1091 HG1 11.3647 26.6955 10.2810 H 72 GLN72 0.0356 1092 HG2 11.7114 28.0832 11.3032 H 72 GLN72 0.0356 1093 HE21 9.7863 29.2764 8.4240 H 72 GLN72 0.1266 1094 HE22 11.3098 28.5217 8.7019 H 72 GLN72 0.1266 1095 N 10.9870 25.6810 15.4440 N.am 73 GLU73 -0.2456 1096 CA 10.5000 25.0110 16.6510 C.3 73 GLU73 0.0883 1097 C 8.9980 25.1380 16.8050 C.2 73 GLU73 0.2187 1098 O 8.3900 26.1550 16.4340 O.2 73 GLU73 -0.2778 1099 CB 11.2199 25.5064 17.9259 C.3 73 GLU73 -0.0193 1100 CG 11.0437 24.5457 19.1273 C.3 73 GLU73 0.0356 1101 CD 11.5247 25.1359 20.4603 C.2 73 GLU73 0.1760 1102 OE1 10.8764 26.0483 20.9666 O.co2 73 GLU73 -0.6478 1103 OE2 12.5267 24.6721 20.9964 O.co2 73 GLU73 -0.6478 1104 H 11.6620 26.4390 15.5480 H 73 GLU73 0.1312 1105 HA 10.7471 23.9629 16.4941 H 73 GLU73 0.0557 1106 HB1 10.8619 26.5040 18.1856 H 73 GLU73 0.0290 1107 HB2 12.2854 25.6137 17.7238 H 73 GLU73 0.0290 1108 HG1 11.5653 23.6069 18.9497 H 73 GLU73 0.0374 1109 HG2 10.0003 24.2858 19.2835 H 73 GLU73 0.0374 1110 N 8.4000 24.1130 17.3980 N.am 74 PHE74 -0.2453 1111 CA 6.9810 24.1050 17.7050 C.3 74 PHE74 0.0917 1112 C 6.7510 23.3540 19.0060 C.2 74 PHE74 0.2190 1113 O 7.5720 22.5740 19.4770 O.2 74 PHE74 -0.2778 1114 CB 6.1839 23.5008 16.5310 C.3 74 PHE74 -0.0036 1115 CG 6.5524 22.0744 16.1938 C.ar 74 PHE74 -0.0454 1116 CD1 7.6437 21.7975 15.3736 C.ar 74 PHE74 -0.0585 1117 CD2 5.7781 21.0140 16.6593 C.ar 74 PHE74 -0.0585 1118 CE1 7.9626 20.4891 15.0333 C.ar 74 PHE74 -0.0615 1119 CE2 6.0840 19.7052 16.3062 C.ar 74 PHE74 -0.0615 1120 CZ 7.1769 19.4422 15.4943 C.ar 74 PHE74 -0.0617 1121 H 8.9600 23.2980 17.6480 H 74 PHE74 0.1312 1122 HA 6.6705 25.1374 17.8775 H 74 PHE74 0.0560 1123 HB1 6.3415 24.1134 15.6429 H 74 PHE74 0.0333 1124 HB2 5.1152 23.5515 16.7424 H 74 PHE74 0.0333 1125 HD1 8.2562 22.6063 15.0031 H 74 PHE74 0.0620 1126 HD2 4.9318 21.2034 17.3038 H 74 PHE74 0.0620 1127 HE1 8.8178 20.2898 14.4056 H 74 PHE74 0.0618 1128 HE2 5.4870 18.8853 16.6806 H 74 PHE74 0.0618 1129 HZ 7.4213 18.4207 15.2469 H 74 PHE74 0.0618 1130 N 5.6050 23.6230 19.6310 N.am 75 ASP75 -0.2451 1131 CA 5.3130 22.8930 20.8800 C.3 75 ASP75 0.0974 1132 C 4.3390 21.7310 20.3850 C.2 75 ASP75 0.2192 1133 O 3.4740 21.9000 19.5420 O.2 75 ASP75 -0.2778 1134 CB 4.7153 23.8547 21.9072 C.3 75 ASP75 0.0576 1135 CG 5.8571 24.7611 22.3926 C.2 75 ASP75 0.1780 1136 OD1 6.5212 24.4117 23.3597 O.co2 75 ASP75 -0.6478 1137 OD2 6.1094 25.8081 21.8038 O.co2 75 ASP75 -0.6478 1138 H 4.9510 24.3110 19.2580 H 75 ASP75 0.1312 1139 HA 6.2113 22.4303 21.2923 H 75 ASP75 0.0563 1140 HB1 4.3098 23.3135 22.7612 H 75 ASP75 0.0394 1141 HB2 3.9189 24.4615 21.4784 H 75 ASP75 0.0394 1142 N 4.5440 20.5460 20.9550 N.am 76 GLU76 -0.2456 1143 CA 3.9010 19.3020 20.6180 C.3 76 GLU76 0.0883 1144 C 3.4280 18.6400 21.9260 C.2 76 GLU76 0.2187 1145 O 4.1440 18.6520 22.9210 O.2 76 GLU76 -0.2778 1146 CB 4.9210 18.3915 19.8867 C.3 76 GLU76 -0.0193 1147 CG 4.4035 16.9766 19.5211 C.3 76 GLU76 0.0356 1148 CD 5.4628 16.0348 18.8921 C.2 76 GLU76 0.1760 1149 OE1 6.4770 16.5020 18.3799 O.co2 76 GLU76 -0.6478 1150 OE2 5.2651 14.8190 18.9194 O.co2 76 GLU76 -0.6478 1151 H 5.2290 20.5150 21.7100 H 76 GLU76 0.1312 1152 HA 3.0380 19.5088 19.9834 H 76 GLU76 0.0557 1153 HB1 5.8106 18.2980 20.5041 H 76 GLU76 0.0290 1154 HB2 5.2522 18.8960 18.9805 H 76 GLU76 0.0290 1155 HG1 3.5709 17.0513 18.8237 H 76 GLU76 0.0374 1156 HG2 4.0263 16.4735 20.4101 H 76 GLU76 0.0374 1157 N 2.2170 18.0640 21.8970 N.am 77 VAL77 -0.2454 1158 CA 1.7730 17.1470 22.9510 C.3 77 VAL77 0.0901 1159 C 1.8620 15.7510 22.3540 C.2 77 VAL77 0.2190 1160 O 1.2390 15.4400 21.3580 O.2 77 VAL77 -0.2778 1161 CB 0.3324 17.4700 23.3910 C.3 77 VAL77 -0.0227 1162 CG1 -0.1924 16.4310 24.3978 C.3 77 VAL77 -0.0608 1163 CG2 0.2471 18.8823 23.9838 C.3 77 VAL77 -0.0608 1164 H 1.5880 18.2700 21.1210 H 77 VAL77 0.1312 1165 HA 2.4453 17.2330 23.7999 H 77 VAL77 0.0560 1166 HB -0.3152 17.4424 22.5130 H 77 VAL77 0.0315 1167 HG11 -1.1579 16.7243 24.8103 H 77 VAL77 0.0233 1168 HG12 0.5093 16.3032 25.2194 H 77 VAL77 0.0233 1169 HG13 -0.3252 15.4536 23.9325 H 77 VAL77 0.0233 1170 HG21 -0.7652 19.1101 24.3180 H 77 VAL77 0.0233 1171 HG22 0.5277 19.6406 23.2522 H 77 VAL77 0.0233 1172 HG23 0.9151 18.9837 24.8366 H 77 VAL77 0.0233 1173 N 2.7240 14.9320 22.9140 N.am 78 THR78 -0.2434 1174 CA 2.9840 13.6180 22.3850 C.3 78 THR78 0.1135 1175 C 1.8590 12.6430 22.7540 C.2 78 THR78 0.2212 1176 O 1.0140 12.9290 23.6140 O.2 78 THR78 -0.2777 1177 CB 4.3777 13.1837 22.8683 C.3 78 THR78 0.0763 1178 OG1 4.4022 12.9998 24.2746 O.3 78 THR78 -0.3900 1179 CG2 5.4284 14.2581 22.5355 C.3 78 THR78 -0.0370 1180 H 3.2240 15.2360 23.7490 H 78 THR78 0.1313 1181 HA 3.0144 13.7080 21.2962 H 78 THR78 0.0583 1182 HB 4.6715 12.2643 22.3467 H 78 THR78 0.0611 1183 HG1 3.9838 12.1739 24.5178 H 78 THR78 0.2098 1184 HG21 6.4379 13.9193 22.7530 H 78 THR78 0.0255 1185 HG22 5.2724 15.1717 23.1092 H 78 THR78 0.0255 1186 HG23 5.3973 14.5240 21.4798 H 78 THR78 0.0255 1187 N 1.8530 11.4950 22.1130 N.am 79 ALA79 -0.2458 1188 CA 0.7670 10.4910 22.3430 C.3 79 ALA79 0.0850 1189 C 0.7570 10.0270 23.8030 C.2 79 ALA79 0.2184 1190 O -0.2940 9.6560 24.3060 O.2 79 ALA79 -0.2778 1191 CB 0.9383 9.3169 21.3818 C.3 79 ALA79 -0.0411 1192 H 2.5990 11.2860 21.4490 H 79 ALA79 0.1312 1193 HA -0.1720 11.0034 22.1353 H 79 ALA79 0.0554 1194 HB1 0.0882 8.6374 21.4345 H 79 ALA79 0.0249 1195 HB2 1.8411 8.7560 21.6168 H 79 ALA79 0.0249 1196 HB3 1.0153 9.6684 20.3529 H 79 ALA79 0.0249 1197 N 1.9310 9.9900 24.4340 N.am 80 ASP80 -0.2451 1198 CA 2.0830 9.6410 25.8540 C.3 80 ASP80 0.0974 1199 C 1.9450 10.8750 26.7740 C.2 80 ASP80 0.2192 1200 O 2.2600 10.7860 27.9820 O.2 80 ASP80 -0.2778 1201 CB 3.4213 8.9000 26.0426 C.3 80 ASP80 0.0576 1202 CG 4.6684 9.7185 25.6556 C.2 80 ASP80 0.1780 1203 OD1 4.7332 10.2936 24.5697 O.co2 80 ASP80 -0.6478 1204 OD2 5.5965 9.7781 26.4477 O.co2 80 ASP80 -0.6478 1205 H 2.7710 10.2170 23.9010 H 80 ASP80 0.1312 1206 HA 1.2752 8.9564 26.1140 H 80 ASP80 0.0563 1207 HB1 3.4326 7.9974 25.4330 H 80 ASP80 0.0394 1208 HB2 3.5272 8.5717 27.0769 H 80 ASP80 0.0394 1209 N 1.4550 12.0160 26.2670 N.am 81 ASP81 -0.2451 1210 CA 1.0730 13.1700 27.0410 C.3 81 ASP81 0.0974 1211 C 2.2440 13.9430 27.6010 C.2 81 ASP81 0.2192 1212 O 2.0340 14.6670 28.5770 O.2 81 ASP81 -0.2778 1213 CB -0.2352 12.9555 27.8210 C.3 81 ASP81 0.0576 1214 CG -1.3812 13.3584 26.8613 C.2 81 ASP81 0.1780 1215 OD1 -1.6976 14.5473 26.8281 O.co2 81 ASP81 -0.6478 1216 OD2 -1.9207 12.5092 26.1466 O.co2 81 ASP81 -0.6478 1217 H 1.3440 12.0710 25.2550 H 81 ASP81 0.1312 1218 HA 0.8522 13.8515 26.2165 H 81 ASP81 0.0563 1219 HB1 -0.2887 13.5724 28.7165 H 81 ASP81 0.0394 1220 HB2 -0.3566 11.9177 28.1306 H 81 ASP81 0.0394 1221 N 3.4070 13.9210 26.9600 N.am 82 ARG82 -0.2456 1222 CA 4.4430 14.8970 27.2710 C.3 82 ARG82 0.0879 1223 C 4.1630 16.1850 26.5080 C.2 82 ARG82 0.2187 1224 O 3.7560 16.1560 25.3330 O.2 82 ARG82 -0.2778 1225 CB 5.8196 14.3831 26.8256 C.3 82 ARG82 -0.0258 1226 CG 6.2806 13.1110 27.5459 C.3 82 ARG82 -0.0154 1227 CD 7.5218 12.5203 26.8737 C.3 82 ARG82 0.1045 1228 NE 7.1071 11.9201 25.6177 N.pl3 82 ARG82 -0.4450 1229 CZ 7.6135 12.0485 24.4126 C.cat 82 ARG82 0.5062 1230 NH1 8.6509 12.7998 24.1693 N.pl3 82 ARG82 -0.4573 1231 NH2 7.0367 11.3957 23.4506 N.pl3 82 ARG82 -0.4573 1232 H 3.5760 13.2150 26.2440 H 82 ARG82 0.1312 1233 HA 4.4429 15.0868 28.3462 H 82 ARG82 0.0557 1234 HB1 6.5718 15.1555 26.9937 H 82 ARG82 0.0286 1235 HB2 5.8090 14.2162 25.7495 H 82 ARG82 0.0286 1236 HG1 5.4890 12.3596 27.5521 H 82 ARG82 0.0299 1237 HG2 6.4976 13.3419 28.5889 H 82 ARG82 0.0299 1238 HD1 7.9547 11.7219 27.4795 H 82 ARG82 0.0711 1239 HD2 8.2732 13.2859 26.6922 H 82 ARG82 0.0711 1240 HE 6.3070 11.3071 25.6308 H 82 ARG82 0.3153 1241 HH11 8.9800 12.8949 23.2308 H 82 ARG82 0.3114 1242 HH12 9.0910 13.2714 24.9255 H 82 ARG82 0.3114 1243 HH21 7.3572 11.4465 22.5121 H 82 ARG82 0.3114 1244 HH22 6.2345 10.8443 23.7171 H 82 ARG82 0.3114 1245 N 4.5030 17.2960 27.1350 N.am 83 LYS83 -0.2457 1246 CA 4.5030 18.5990 26.5180 C.3 83 LYS83 0.0878 1247 C 5.9470 18.9260 26.1620 C.2 83 LYS83 0.2187 1248 O 6.7780 19.1790 27.0470 O.2 83 LYS83 -0.2778 1249 CB 3.7634 19.5541 27.4781 C.3 83 LYS83 -0.0289 1250 CG 2.2136 19.3633 27.5227 C.3 83 LYS83 -0.0496 1251 CD 1.7034 17.8995 27.5600 C.3 83 LYS83 -0.0278 1252 CE 0.1937 17.6871 27.7714 C.3 83 LYS83 0.1103 1253 NZ -0.1667 16.2596 27.7626 N.4 83 LYS83 -0.0749 1254 H 4.7820 17.2290 28.1140 H 83 LYS83 0.1312 1255 HA 3.9437 18.5516 25.5804 H 83 LYS83 0.0557 1256 HB1 3.9755 20.5863 27.1959 H 83 LYS83 0.0285 1257 HB2 4.1751 19.4323 28.4808 H 83 LYS83 0.0285 1258 HG1 1.7807 19.8618 26.6561 H 83 LYS83 0.0266 1259 HG2 1.8278 19.9010 28.3893 H 83 LYS83 0.0266 1260 HD1 2.2339 17.3550 28.3417 H 83 LYS83 0.0282 1261 HD2 1.9442 17.4360 26.6065 H 83 LYS83 0.0282 1262 HE1 -0.3811 18.1876 26.9896 H 83 LYS83 0.0559 1263 HE2 -0.1160 18.1087 28.7293 H 83 LYS83 0.0559 1264 HZ1 -1.1796 16.0992 27.9605 H 83 LYS83 0.2742 1265 HZ2 0.4068 15.7185 28.4413 H 83 LYS83 0.2742 1266 HZ3 -0.0450 15.8347 26.8193 H 83 LYS83 0.2742 1267 N 6.2760 18.8570 24.8640 N.am 84 VAL84 -0.2454 1268 CA 7.6190 18.9800 24.4210 C.3 84 VAL84 0.0901 1269 C 7.7770 20.1370 23.4510 C.2 84 VAL84 0.2189 1270 O 6.8260 20.5720 22.8030 O.2 84 VAL84 -0.2778 1271 CB 8.0761 17.6411 23.7811 C.3 84 VAL84 -0.0227 1272 CG1 7.7730 16.4263 24.6738 C.3 84 VAL84 -0.0608 1273 CG2 7.4711 17.3913 22.3910 C.3 84 VAL84 -0.0608 1274 H 5.5390 18.7120 24.1740 H 84 VAL84 0.1312 1275 HA 8.2633 19.2040 25.2713 H 84 VAL84 0.0560 1276 HB 9.1590 17.6969 23.6579 H 84 VAL84 0.0315 1277 HG11 8.2444 15.5288 24.2756 H 84 VAL84 0.0233 1278 HG12 6.7013 16.2334 24.7258 H 84 VAL84 0.0233 1279 HG13 8.1281 16.5634 25.6909 H 84 VAL84 0.0233 1280 HG21 7.8183 16.4486 21.9698 H 84 VAL84 0.0233 1281 HG22 7.7476 18.1756 21.6877 H 84 VAL84 0.0233 1282 HG23 6.3835 17.3450 22.4397 H 84 VAL84 0.0233 1283 N 9.0320 20.5990 23.3360 N.am 85 LYS85 -0.2456 1284 CA 9.4040 21.5590 22.3130 C.3 85 LYS85 0.0878 1285 C 10.1950 20.7910 21.2580 C.2 85 LYS85 0.2187 1286 O 11.2090 20.1510 21.5420 O.2 85 LYS85 -0.2778 1287 CB 10.2797 22.6849 22.8764 C.3 85 LYS85 -0.0289 1288 CG 9.6909 23.4146 24.0918 C.3 85 LYS85 -0.0496 1289 CD 10.1476 24.8851 24.1508 C.3 85 LYS85 -0.0278 1290 CE 9.1682 25.8673 23.4856 C.3 85 LYS85 0.1103 1291 NZ 8.6412 25.4115 22.2077 N.4 85 LYS85 -0.0749 1292 H 9.7440 20.2660 23.9860 H 85 LYS85 0.1312 1293 HA 8.5037 21.9823 21.8625 H 85 LYS85 0.0557 1294 HB1 10.4328 23.3983 22.0703 H 85 LYS85 0.0285 1295 HB2 11.2736 22.3182 23.1361 H 85 LYS85 0.0285 1296 HG1 10.0096 22.8912 24.9937 H 85 LYS85 0.0266 1297 HG2 8.6042 23.3556 24.0931 H 85 LYS85 0.0266 1298 HD1 11.1333 24.9827 23.6917 H 85 LYS85 0.0282 1299 HD2 10.2753 25.1839 25.1912 H 85 LYS85 0.0282 1300 HE1 9.6512 26.8316 23.3221 H 85 LYS85 0.0559 1301 HE2 8.3121 26.0403 24.1393 H 85 LYS85 0.0559 1302 HZ1 7.9298 26.0826 21.8511 H 85 LYS85 0.2742 1303 HZ2 8.0916 24.5402 22.3565 H 85 LYS85 0.2742 1304 HZ3 9.4126 25.2881 21.5196 H 85 LYS85 0.2742 1305 N 9.7050 20.8440 20.0140 N.am 86 SER86 -0.2436 1306 CA 10.2020 20.0150 18.9370 C.3 86 SER86 0.1109 1307 C 10.7870 20.8690 17.8360 C.2 86 SER86 0.2210 1308 O 10.2630 21.9160 17.4760 O.2 86 SER86 -0.2777 1309 CB 9.0358 19.1749 18.3987 C.3 86 SER86 0.0681 1310 OG 8.7376 18.1279 19.3136 O.3 86 SER86 -0.3930 1311 H 8.9470 21.4980 19.8160 H 86 SER86 0.1312 1312 HA 10.9613 19.3644 19.3384 H 86 SER86 0.0580 1313 HB1 9.2951 18.7377 17.4295 H 86 SER86 0.0577 1314 HB2 8.1662 19.8274 18.2552 H 86 SER86 0.0577 1315 HG 7.9354 17.6661 19.0513 H 86 SER86 0.2095 1316 N 11.8580 20.3320 17.2280 N.am 87 THR87 -0.2433 1317 CA 12.4200 20.9220 16.0240 C.3 87 THR87 0.1135 1318 C 12.7580 19.7880 15.0770 C.2 87 THR87 0.2212 1319 O 13.4060 18.8190 15.4860 O.2 87 THR87 -0.2777 1320 CB 13.6503 21.7946 16.3381 C.3 87 THR87 0.0763 1321 OG1 13.2260 22.8076 17.2310 O.3 87 THR87 -0.3900 1322 CG2 14.2379 22.4502 15.0734 C.3 87 THR87 -0.0370 1323 H 12.2860 19.4930 17.6190 H 87 THR87 0.1313 1324 HA 11.6515 21.5373 15.5501 H 87 THR87 0.0583 1325 HB 14.4032 21.1654 16.8258 H 87 THR87 0.0611 1326 HG1 13.9496 23.3540 17.5230 H 87 THR87 0.2098 1327 HG21 15.1093 23.0639 15.3021 H 87 THR87 0.0255 1328 HG22 13.4987 23.0914 14.5916 H 87 THR87 0.0255 1329 HG23 14.5564 21.7046 14.3453 H 87 THR87 0.0255 1330 N 12.3150 19.9080 13.8090 N.am 88 ILE88 -0.2453 1331 CA 12.5500 18.8830 12.8190 C.3 88 ILE88 0.0903 1332 C 13.3390 19.5120 11.6610 C.2 88 ILE88 0.2190 1333 O 12.9710 20.5660 11.1640 O.2 88 ILE88 -0.2778 1334 CB 11.2102 18.2787 12.3383 C.3 88 ILE88 -0.0201 1335 CG1 10.4318 17.6844 13.5295 C.3 88 ILE88 -0.0514 1336 CG2 11.4509 17.2082 11.2532 C.3 88 ILE88 -0.0605 1337 CD1 9.0281 17.1688 13.2025 C.3 88 ILE88 -0.0650 1338 H 11.7990 20.7470 13.5410 H 88 ILE88 0.1312 1339 HA 13.1471 18.1051 13.2723 H 88 ILE88 0.0560 1340 HB 10.6082 19.0802 11.9083 H 88 ILE88 0.0318 1341 HG11 10.3293 18.4183 14.3286 H 88 ILE88 0.0266 1342 HG12 11.0159 16.8727 13.9430 H 88 ILE88 0.0266 1343 HG21 10.5189 16.7758 10.8942 H 88 ILE88 0.0233 1344 HG22 12.0704 16.3962 11.6356 H 88 ILE88 0.0233 1345 HG23 11.9544 17.6232 10.3801 H 88 ILE88 0.0233 1346 HD11 8.5611 16.7412 14.0900 H 88 ILE88 0.0230 1347 HD12 9.0356 16.3935 12.4384 H 88 ILE88 0.0230 1348 HD13 8.3935 17.9846 12.8644 H 88 ILE88 0.0230 1349 N 14.4240 18.8380 11.2940 N.am 89 THR89 -0.2434 1350 CA 15.2860 19.2660 10.1880 C.3 89 THR89 0.1135 1351 C 15.4740 18.0860 9.2400 C.2 89 THR89 0.2212 1352 O 15.1710 16.9420 9.5530 O.2 89 THR89 -0.2777 1353 CB 16.6504 19.7405 10.7280 C.3 89 THR89 0.0763 1354 OG1 17.3343 18.7018 11.4070 O.3 89 THR89 -0.3900 1355 CG2 16.4992 20.9075 11.7085 C.3 89 THR89 -0.0370 1356 H 14.6670 17.9880 11.8030 H 89 THR89 0.1313 1357 HA 14.7937 20.0694 9.6378 H 89 THR89 0.0583 1358 HB 17.2711 20.1000 9.8979 H 89 THR89 0.0611 1359 HG1 17.4778 17.9672 10.8157 H 89 THR89 0.2098 1360 HG21 17.4756 21.2725 12.0266 H 89 THR89 0.0255 1361 HG22 15.9528 20.6113 12.6039 H 89 THR89 0.0255 1362 HG23 15.9660 21.7366 11.2452 H 89 THR89 0.0255 1363 N 16.0010 18.3910 8.0450 N.am 90 LEU90 -0.2456 1364 CA 16.3960 17.3580 7.1050 C.3 90 LEU90 0.0880 1365 C 17.9600 17.3320 7.1000 C.2 90 LEU90 0.2187 1366 O 18.5870 18.3820 6.8610 O.2 90 LEU90 -0.2778 1367 CB 15.8345 17.6980 5.7159 C.3 90 LEU90 -0.0266 1368 CG 16.0843 16.6093 4.6538 C.3 90 LEU90 -0.0449 1369 CD1 15.1825 15.3851 4.8717 C.3 90 LEU90 -0.0626 1370 CD2 15.8822 17.1765 3.2437 C.3 90 LEU90 -0.0626 1371 H 16.1270 19.3710 7.7910 H 90 LEU90 0.1312 1372 HA 16.0216 16.3908 7.4376 H 90 LEU90 0.0557 1373 HB1 16.2701 18.6422 5.3855 H 90 LEU90 0.0287 1374 HB2 14.7619 17.8776 5.7941 H 90 LEU90 0.0287 1375 HG 17.1228 16.2824 4.7227 H 90 LEU90 0.0296 1376 HD11 15.3712 14.6181 4.1209 H 90 LEU90 0.0232 1377 HD12 14.1284 15.6550 4.8074 H 90 LEU90 0.0232 1378 HD13 15.3497 14.9338 5.8474 H 90 LEU90 0.0232 1379 HD21 16.1414 16.4382 2.4863 H 90 LEU90 0.0232 1380 HD22 16.5148 18.0485 3.0766 H 90 LEU90 0.0232 1381 HD23 14.8466 17.4772 3.0820 H 90 LEU90 0.0232 1382 N 18.5820 16.2320 7.4110 N.am 91 ASP91 -0.2451 1383 CA 20.0200 16.0850 7.4820 C.3 91 ASP91 0.0974 1384 C 20.4100 14.9910 6.5350 C.2 91 ASP91 0.2190 1385 O 20.0970 13.8580 6.7710 O.2 91 ASP91 -0.2778 1386 CB 20.5952 15.9665 8.9182 C.3 91 ASP91 0.0576 1387 CG 20.5277 14.5988 9.6277 C.2 91 ASP91 0.1780 1388 OD1 21.3607 14.3066 10.4841 O.co2 91 ASP91 -0.6478 1389 OD2 19.6425 13.8066 9.3537 O.co2 91 ASP91 -0.6478 1390 H 18.0130 15.4120 7.6200 H 91 ASP91 0.1312 1391 HA 20.4525 17.0016 7.0776 H 91 ASP91 0.0563 1392 HB1 20.1053 16.6927 9.5648 H 91 ASP91 0.0394 1393 HB2 21.6476 16.2479 8.8928 H 91 ASP91 0.0394 1394 N 20.9620 15.3820 5.4160 N.am 92 GLY92 -0.2485 1395 CA 21.3060 14.3600 4.4840 C.3 92 GLY92 0.0765 1396 C 20.2730 13.3210 4.1230 C.2 92 GLY92 0.2153 1397 O 20.4640 12.0950 4.0390 O.2 92 GLY92 -0.2781 1398 H 21.1370 16.3680 5.2200 H 92 GLY92 0.1309 1399 HA1 22.1832 13.8475 4.8823 H 92 GLY92 0.0521 1400 HA2 21.6159 14.8691 3.5722 H 92 GLY92 0.0521 1401 N 19.1380 13.8730 3.8330 N.am 93 GLY93 -0.2487 1402 CA 17.9500 13.0480 3.4560 C.3 93 GLY93 0.0765 1403 C 17.1520 12.3230 4.5740 C.2 93 GLY93 0.2155 1404 O 16.2040 11.6530 4.2830 O.2 93 GLY93 -0.2781 1405 H 19.0540 14.8890 3.8620 H 93 GLY93 0.1309 1406 HA1 18.2742 12.3071 2.7239 H 93 GLY93 0.0521 1407 HA2 17.2685 13.7257 2.9439 H 93 GLY93 0.0521 1408 N 17.5670 12.5140 5.8160 N.am 94 VAL94 -0.2456 1409 CA 16.9170 11.9690 7.0140 C.3 94 VAL94 0.0901 1410 C 16.1710 13.0790 7.7120 C.2 94 VAL94 0.2189 1411 O 16.7320 14.1410 7.9750 O.2 94 VAL94 -0.2778 1412 CB 17.8966 11.2150 7.9281 C.3 94 VAL94 -0.0227 1413 CG1 17.1224 10.3705 8.9518 C.3 94 VAL94 -0.0608 1414 CG2 18.8757 10.3389 7.1312 C.3 94 VAL94 -0.0608 1415 H 18.4020 13.0830 5.9510 H 94 VAL94 0.1312 1416 HA 16.1748 11.2484 6.6646 H 94 VAL94 0.0560 1417 HB 18.4971 11.9374 8.4713 H 94 VAL94 0.0315 1418 HG11 17.7971 9.7731 9.5608 H 94 VAL94 0.0233 1419 HG12 16.4432 9.6772 8.4674 H 94 VAL94 0.0233 1420 HG13 16.5136 10.9939 9.6056 H 94 VAL94 0.0233 1421 HG21 19.5025 9.7464 7.7977 H 94 VAL94 0.0233 1422 HG22 19.5443 10.9463 6.5198 H 94 VAL94 0.0233 1423 HG23 18.3532 9.6520 6.4672 H 94 VAL94 0.0233 1424 N 14.8940 12.8320 8.0530 N.am 95 LEU95 -0.2456 1425 CA 14.1470 13.7780 8.8950 C.3 95 LEU95 0.0880 1426 C 14.5740 13.5170 10.3440 C.2 95 LEU95 0.2187 1427 O 14.3900 12.3980 10.8360 O.2 95 LEU95 -0.2778 1428 CB 12.6356 13.6235 8.6902 C.3 95 LEU95 -0.0266 1429 CG 12.1543 14.0688 7.2969 C.3 95 LEU95 -0.0449 1430 CD1 10.7188 13.5894 7.0424 C.3 95 LEU95 -0.0626 1431 CD2 12.2495 15.5931 7.1198 C.3 95 LEU95 -0.0626 1432 H 14.4390 11.9800 7.7240 H 95 LEU95 0.1312 1433 HA 14.4575 14.7855 8.6189 H 95 LEU95 0.0557 1434 HB1 12.0955 14.1897 9.4504 H 95 LEU95 0.0287 1435 HB2 12.3788 12.5802 8.8436 H 95 LEU95 0.0287 1436 HG 12.7903 13.6023 6.5434 H 95 LEU95 0.0296 1437 HD11 10.3819 13.8747 6.0452 H 95 LEU95 0.0232 1438 HD12 10.0240 14.0193 7.7643 H 95 LEU95 0.0232 1439 HD13 10.6494 12.5035 7.1131 H 95 LEU95 0.0232 1440 HD21 11.8797 15.8959 6.1398 H 95 LEU95 0.0232 1441 HD22 13.2769 15.9487 7.1974 H 95 LEU95 0.0232 1442 HD23 11.6591 16.1156 7.8730 H 95 LEU95 0.0232 1443 N 15.0900 14.5430 10.9870 N.am 96 VAL96 -0.2454 1444 CA 15.6010 14.4320 12.3570 C.3 96 VAL96 0.0901 1445 C 14.7130 15.2980 13.2600 C.2 96 VAL96 0.2189 1446 O 14.6520 16.5170 13.0850 O.2 96 VAL96 -0.2778 1447 CB 17.0205 14.9918 12.5255 C.3 96 VAL96 -0.0227 1448 CG1 17.6011 14.6273 13.9042 C.3 96 VAL96 -0.0608 1449 CG2 17.9285 14.5288 11.4093 C.3 96 VAL96 -0.0608 1450 H 15.1360 15.4470 10.5160 H 96 VAL96 0.1312 1451 HA 15.5619 13.3891 12.6791 H 96 VAL96 0.0560 1452 HB 17.0073 16.0802 12.4579 H 96 VAL96 0.0315 1453 HG11 18.6316 14.9702 14.0000 H 96 VAL96 0.0233 1454 HG12 17.5878 13.5503 14.0679 H 96 VAL96 0.0233 1455 HG13 17.0313 15.0887 14.7112 H 96 VAL96 0.0233 1456 HG21 18.9560 14.7927 11.6513 H 96 VAL96 0.0233 1457 HG22 17.6699 15.0112 10.4652 H 96 VAL96 0.0233 1458 HG23 17.8635 13.4547 11.2616 H 96 VAL96 0.0233 1459 N 14.0380 14.6460 14.1920 N.am 97 HIS97 -0.2453 1460 CA 13.0260 15.2730 15.0630 C.3 97 HIS97 0.0932 1461 C 13.5320 15.1910 16.5120 C.2 97 HIS97 0.2190 1462 O 13.6480 14.1200 17.0730 O.2 97 HIS97 -0.2778 1463 CB 11.7307 14.4784 14.8652 C.3 97 HIS97 0.0146 1464 CG 10.5890 14.8589 15.7860 C.ar 97 HIS97 0.0551 1465 ND1 9.4888 14.0810 15.9172 N.ar 97 HIS97 -0.2469 1466 CD2 10.4013 16.0291 16.5451 C.ar 97 HIS97 0.0047 1467 CE1 8.6639 14.7538 16.7468 C.ar 97 HIS97 0.0737 1468 NE2 9.1921 15.9242 17.1359 N.ar 97 HIS97 -0.2539 1469 H 14.2280 13.6520 14.3160 H 97 HIS97 0.1312 1470 HA 12.9081 16.3213 14.7873 H 97 HIS97 0.0561 1471 HB1 11.9393 13.4228 15.0165 H 97 HIS97 0.0348 1472 HB2 11.3975 14.6006 13.8354 H 97 HIS97 0.0348 1473 HD2 11.0723 16.8717 16.6332 H 97 HIS97 0.0764 1474 HE1 7.6808 14.4342 17.0750 H 97 HIS97 0.0963 1475 HE2 8.7429 16.5741 17.7233 H 97 HIS97 0.1339 1476 N 13.8530 16.3580 17.0760 N.am 98 VAL98 -0.2454 1477 CA 14.3530 16.4320 18.4530 C.3 98 VAL98 0.0901 1478 C 13.2320 16.9850 19.3110 C.2 98 VAL98 0.2189 1479 O 12.6300 18.0210 18.9890 O.2 98 VAL98 -0.2778 1480 CB 15.6422 17.2680 18.5150 C.3 98 VAL98 -0.0227 1481 CG1 16.3058 17.1172 19.8898 C.3 98 VAL98 -0.0608 1482 CG2 16.6368 16.8561 17.4156 C.3 98 VAL98 -0.0608 1483 H 13.7480 17.2180 16.5370 H 98 VAL98 0.1312 1484 HA 14.5793 15.4205 18.7951 H 98 VAL98 0.0560 1485 HB 15.3895 18.3180 18.3558 H 98 VAL98 0.0315 1486 HG11 17.2175 17.7102 19.9395 H 98 VAL98 0.0233 1487 HG12 16.5741 16.0762 20.0751 H 98 VAL98 0.0233 1488 HG13 15.6380 17.4348 20.6907 H 98 VAL98 0.0233 1489 HG21 17.5716 17.4095 17.5050 H 98 VAL98 0.0233 1490 HG22 16.2455 17.0541 16.4169 H 98 VAL98 0.0233 1491 HG23 16.8727 15.7930 17.4767 H 98 VAL98 0.0233 1492 N 12.9460 16.2970 20.4240 N.am 99 GLN99 -0.2456 1493 CA 11.9370 16.7040 21.4040 C.3 99 GLN99 0.0882 1494 C 12.6380 17.0180 22.7480 C.2 99 GLN99 0.2187 1495 O 13.3820 16.1570 23.2370 O.2 99 GLN99 -0.2778 1496 CB 10.9057 15.5865 21.6222 C.3 99 GLN99 -0.0210 1497 CG 10.1882 15.1248 20.3459 C.3 99 GLN99 0.0225 1498 CD 9.1137 14.0786 20.6894 C.2 99 GLN99 0.1981 1499 OE1 9.3422 13.1370 21.4424 O.2 99 GLN99 -0.2798 1500 NE2 7.9348 14.3058 20.0981 N.am 99 GLN99 -0.2724 1501 H 13.4630 15.4360 20.6000 H 99 GLN99 0.1312 1502 HA 11.4313 17.6035 21.0440 H 99 GLN99 0.0557 1503 HB1 10.1653 15.9285 22.3473 H 99 GLN99 0.0289 1504 HB2 11.3996 14.7313 22.0711 H 99 GLN99 0.0289 1505 HG1 10.8868 14.6791 19.6384 H 99 GLN99 0.0356 1506 HG2 9.7220 15.9710 19.8474 H 99 GLN99 0.0356 1507 HE21 7.1339 13.7196 20.2118 H 99 GLN99 0.1266 1508 HE22 7.7709 15.0963 19.5006 H 99 GLN99 0.1266 1509 N 12.3860 18.1830 23.2830 N.am 100 LYS100 -0.2457 1510 CA 12.9740 18.6430 24.5510 C.3 100 LYS100 0.0878 1511 C 11.8800 18.8540 25.5740 C.2 100 LYS100 0.2187 1512 O 10.8870 19.5100 25.2790 O.2 100 LYS100 -0.2778 1513 CB 13.6231 20.0228 24.3251 C.3 100 LYS100 -0.0289 1514 CG 14.6215 20.0861 23.1676 C.3 100 LYS100 -0.0496 1515 CD 15.7888 19.1138 23.3362 C.3 100 LYS100 -0.0278 1516 CE 16.9050 19.4115 22.3351 C.3 100 LYS100 0.1103 1517 NZ 17.9412 18.3828 22.3665 N.4 100 LYS100 -0.0749 1518 H 11.7460 18.8090 22.7940 H 100 LYS100 0.1312 1519 HA 13.6926 17.9088 24.9119 H 100 LYS100 0.0557 1520 HB1 14.1155 20.3487 25.2427 H 100 LYS100 0.0285 1521 HB2 12.8500 20.7670 24.1196 H 100 LYS100 0.0285 1522 HG1 15.0012 21.1072 23.1061 H 100 LYS100 0.0266 1523 HG2 14.1134 19.9021 22.2193 H 100 LYS100 0.0266 1524 HD1 15.4254 18.0937 23.2044 H 100 LYS100 0.0282 1525 HD2 16.1804 19.1761 24.3526 H 100 LYS100 0.0282 1526 HE1 17.3659 20.3779 22.5510 H 100 LYS100 0.0559 1527 HE2 16.5023 19.4705 21.3221 H 100 LYS100 0.0559 1528 HZ1 18.6672 18.5819 21.6497 H 100 LYS100 0.2742 1529 HZ2 17.5098 17.4521 22.1786 H 100 LYS100 0.2742 1530 HZ3 18.3751 18.3502 23.3103 H 100 LYS100 0.2742 1531 N 12.0760 18.3330 26.7990 N.am 101 TRP101 -0.2453 1532 CA 11.1110 18.5760 27.8780 C.3 101 TRP101 0.0918 1533 C 11.7900 18.2210 29.1790 C.2 101 TRP101 0.2190 1534 O 12.5270 17.2600 29.2590 O.2 101 TRP101 -0.2778 1535 CB 9.7987 17.7867 27.6526 C.3 101 TRP101 -0.0021 1536 CG 9.8974 16.2982 27.9600 C.ar 101 TRP101 -0.0260 1537 CD1 9.2361 15.6556 29.0113 C.ar 101 TRP101 -0.0136 1538 CD2 10.6496 15.2700 27.2744 C.ar 101 TRP101 -0.0028 1539 NE1 9.5461 14.3364 29.0088 N.ar 101 TRP101 -0.2641 1540 CE2 10.4489 14.0655 27.9926 C.ar 101 TRP101 0.0269 1541 CE3 11.4644 15.2691 26.1742 C.ar 101 TRP101 -0.0528 1542 CZ2 11.0830 12.9159 27.6054 C.ar 101 TRP101 -0.0430 1543 CZ3 12.1351 14.1094 25.7974 C.ar 101 TRP101 -0.0611 1544 CH2 11.9397 12.9265 26.5061 C.ar 101 TRP101 -0.0602 1545 H 12.9030 17.7640 26.9800 H 101 TRP101 0.1312 1546 HA 10.9061 19.6484 27.8776 H 101 TRP101 0.0560 1547 HB1 9.4605 17.9218 26.6295 H 101 TRP101 0.0334 1548 HB2 9.0166 18.2083 28.2846 H 101 TRP101 0.0334 1549 HD1 8.6063 16.1474 29.7390 H 101 TRP101 0.0748 1550 HE1 9.2181 13.6858 29.6626 H 101 TRP101 0.1331 1551 HE3 11.6052 16.1641 25.5930 H 101 TRP101 0.0624 1552 HZ2 10.9227 12.0025 28.1599 H 101 TRP101 0.0633 1553 HZ3 12.8144 14.1406 24.9627 H 101 TRP101 0.0618 1554 HH2 12.4495 12.0228 26.2055 H 101 TRP101 0.0618 1555 N 11.4990 19.0130 30.2190 N.am 102 ASP102 -0.2451 1556 CA 11.9880 18.7280 31.5850 C.3 102 ASP102 0.0974 1557 C 13.4850 18.4300 31.6120 C.2 102 ASP102 0.2190 1558 O 13.9580 17.6070 32.4040 O.2 102 ASP102 -0.2778 1559 CB 11.0412 17.9138 32.4989 C.3 102 ASP102 0.0576 1560 CG 10.8817 16.4076 32.2569 C.2 102 ASP102 0.1780 1561 OD1 11.3350 15.8814 31.2545 O.co2 102 ASP102 -0.6478 1562 OD2 10.2886 15.7280 33.0929 O.co2 102 ASP102 -0.6478 1563 H 10.9210 19.8390 30.0640 H 102 ASP102 0.1312 1564 HA 11.9501 19.7244 32.0234 H 102 ASP102 0.0563 1565 HB1 10.0427 18.3452 32.4478 H 102 ASP102 0.0394 1566 HB2 11.3667 18.0293 33.5324 H 102 ASP102 0.0394 1567 N 14.2570 19.1380 30.8350 N.am 103 GLY103 -0.2485 1568 CA 15.6850 18.9530 30.7880 C.3 103 GLY103 0.0765 1569 C 16.1640 17.7090 30.0630 C.2 103 GLY103 0.2155 1570 O 17.3630 17.4560 30.0590 O.2 103 GLY103 -0.2781 1571 H 13.8340 19.8490 30.2390 H 103 GLY103 0.1309 1572 HA1 16.0651 18.9423 31.8110 H 103 GLY103 0.0521 1573 HA2 16.0968 19.8288 30.2889 H 103 GLY103 0.0521 1574 N 15.2330 16.9620 29.4750 N.am 104 LYS104 -0.2459 1575 CA 15.4800 15.7330 28.7660 C.3 104 LYS104 0.0878 1576 C 15.3840 15.9620 27.2510 C.2 104 LYS104 0.2187 1577 O 14.8450 16.9640 26.7950 O.2 104 LYS104 -0.2778 1578 CB 14.4181 14.6818 29.1353 C.3 104 LYS104 -0.0289 1579 CG 14.2601 14.4348 30.6377 C.3 104 LYS104 -0.0496 1580 CD 13.1546 13.4045 30.9112 C.3 104 LYS104 -0.0278 1581 CE 12.6095 13.4800 32.3445 C.3 104 LYS104 0.1103 1582 NZ 11.1529 13.5422 32.3472 N.4 104 LYS104 -0.0749 1583 H 14.2670 17.2860 29.5310 H 104 LYS104 0.1312 1584 HA 16.4789 15.3750 29.0213 H 104 LYS104 0.0557 1585 HB1 14.6481 13.7356 28.6456 H 104 LYS104 0.0285 1586 HB2 13.4489 14.9940 28.7423 H 104 LYS104 0.0285 1587 HG1 13.9937 15.3774 31.1163 H 104 LYS104 0.0266 1588 HG2 15.2023 14.1138 31.0821 H 104 LYS104 0.0266 1589 HD1 13.5032 12.3974 30.6805 H 104 LYS104 0.0282 1590 HD2 12.3369 13.5984 30.2160 H 104 LYS104 0.0282 1591 HE1 12.9591 14.3902 32.8377 H 104 LYS104 0.0559 1592 HE2 12.9338 12.6357 32.9535 H 104 LYS104 0.0559 1593 HZ1 10.8077 13.9431 33.2451 H 104 LYS104 0.2742 1594 HZ2 10.7119 12.6403 32.1035 H 104 LYS104 0.2742 1595 HZ3 10.8575 14.2872 31.6763 H 104 LYS104 0.2742 1596 N 15.8670 14.9850 26.5040 N.am 105 SER105 -0.2436 1597 CA 15.8070 15.0730 25.0370 C.3 105 SER105 0.1109 1598 C 15.6950 13.6740 24.4510 C.2 105 SER105 0.2210 1599 O 16.3410 12.7430 24.9100 O.2 105 SER105 -0.2777 1600 CB 17.0707 15.7752 24.5114 C.3 105 SER105 0.0681 1601 OG 17.0567 16.0239 23.1111 O.3 105 SER105 -0.3930 1602 H 16.2830 14.1660 26.9470 H 105 SER105 0.1312 1603 HA 14.9143 15.6335 24.7812 H 105 SER105 0.0580 1604 HB1 17.9685 15.2064 24.7778 H 105 SER105 0.0577 1605 HB2 17.1653 16.7390 25.0140 H 105 SER105 0.0577 1606 HG 16.8040 15.2138 22.6655 H 105 SER105 0.2095 1607 N 14.8970 13.5470 23.3890 N.am 106 THR106 -0.2433 1608 CA 14.8520 12.3310 22.5830 C.3 106 THR106 0.1135 1609 C 14.8800 12.7400 21.1130 C.2 106 THR106 0.2213 1610 O 14.3820 13.8000 20.7680 O.2 106 THR106 -0.2777 1611 CB 13.5905 11.4958 22.8938 C.3 106 THR106 0.0763 1612 OG1 13.6376 10.3231 22.1049 O.3 106 THR106 -0.3900 1613 CG2 12.2694 12.2365 22.6259 C.3 106 THR106 -0.0370 1614 H 14.2960 14.3300 23.1310 H 106 THR106 0.1313 1615 HA 15.7453 11.7350 22.7825 H 106 THR106 0.0583 1616 HB 13.6393 11.2187 23.9514 H 106 THR106 0.0611 1617 HG1 12.8676 9.7832 22.2561 H 106 THR106 0.2098 1618 HG21 11.4044 11.6610 22.9569 H 106 THR106 0.0255 1619 HG22 12.1379 12.4510 21.5648 H 106 THR106 0.0255 1620 HG23 12.2428 13.1771 23.1624 H 106 THR106 0.0255 1621 N 15.4450 11.8690 20.2910 N.am 107 THR107 -0.2433 1622 CA 15.5530 12.1310 18.8590 C.3 107 THR107 0.1135 1623 C 14.9100 10.9740 18.0970 C.2 107 THR107 0.2212 1624 O 15.2360 9.8080 18.3450 O.2 107 THR107 -0.2777 1625 CB 17.0264 12.3241 18.4540 C.3 107 THR107 0.0763 1626 OG1 17.5388 13.4360 19.1795 O.3 107 THR107 -0.3900 1627 CG2 17.1834 12.5838 16.9414 C.3 107 THR107 -0.0370 1628 H 15.8130 10.9950 20.6670 H 107 THR107 0.1313 1629 HA 15.0071 13.0423 18.6272 H 107 THR107 0.0583 1630 HB 17.5707 11.4123 18.7326 H 107 THR107 0.0611 1631 HG1 18.4718 13.5341 19.0161 H 107 THR107 0.2098 1632 HG21 18.2244 12.7381 16.6578 H 107 THR107 0.0255 1633 HG22 16.6196 13.4667 16.6386 H 107 THR107 0.0255 1634 HG23 16.8210 11.7423 16.3507 H 107 THR107 0.0255 1635 N 14.0830 11.3410 17.1370 N.am 108 ILE108 -0.2453 1636 CA 13.3870 10.4190 16.2660 C.3 108 ILE108 0.0903 1637 C 13.8610 10.7030 14.8510 C.2 108 ILE108 0.2189 1638 O 13.6760 11.8260 14.3630 O.2 108 ILE108 -0.2778 1639 CB 11.8582 10.5792 16.4273 C.3 108 ILE108 -0.0201 1640 CG1 11.4205 10.3541 17.8915 C.3 108 ILE108 -0.0514 1641 CG2 11.1004 9.6319 15.4770 C.3 108 ILE108 -0.0605 1642 CD1 9.9646 10.7528 18.1644 C.3 108 ILE108 -0.0650 1643 H 13.9240 12.3390 17.0000 H 108 ILE108 0.1312 1644 HA 13.6730 9.4027 16.5354 H 108 ILE108 0.0560 1645 HB 11.5974 11.6044 16.1685 H 108 ILE108 0.0318 1646 HG11 12.0418 10.9407 18.5684 H 108 ILE108 0.0266 1647 HG12 11.5801 9.3117 18.1709 H 108 ILE108 0.0266 1648 HG21 10.0223 9.7697 15.5466 H 108 ILE108 0.0233 1649 HG22 11.3203 8.5899 15.7125 H 108 ILE108 0.0233 1650 HG23 11.3750 9.7963 14.4352 H 108 ILE108 0.0233 1651 HD11 9.7311 10.6494 19.2245 H 108 ILE108 0.0230 1652 HD12 9.2624 10.1291 17.6128 H 108 ILE108 0.0230 1653 HD13 9.7843 11.7931 17.8904 H 108 ILE108 0.0230 1654 N 14.4560 9.7110 14.1970 N.am 109 LYS109 -0.2456 1655 CA 14.9180 9.8510 12.8170 C.3 109 LYS109 0.0878 1656 C 14.0240 9.0120 11.9180 C.2 109 LYS109 0.2187 1657 O 13.6800 7.8900 12.2390 O.2 109 LYS109 -0.2778 1658 CB 16.3679 9.3220 12.7227 C.3 109 LYS109 -0.0289 1659 CG 17.4642 10.3044 13.2019 C.3 109 LYS109 -0.0496 1660 CD 18.3713 10.7433 12.0374 C.3 109 LYS109 -0.0278 1661 CE 19.5722 11.6306 12.3949 C.3 109 LYS109 0.1103 1662 NZ 20.2258 12.1408 11.1886 N.4 109 LYS109 -0.0749 1663 H 14.5950 8.8210 14.6750 H 109 LYS109 0.1312 1664 HA 14.8783 10.8944 12.5156 H 109 LYS109 0.0557 1665 HB1 16.5867 9.0281 11.6938 H 109 LYS109 0.0285 1666 HB2 16.4430 8.3935 13.2914 H 109 LYS109 0.0285 1667 HG1 18.0729 9.8146 13.9630 H 109 LYS109 0.0266 1668 HG2 17.0177 11.1747 13.6845 H 109 LYS109 0.0266 1669 HD1 17.7496 11.2803 11.3264 H 109 LYS109 0.0282 1670 HD2 18.7460 9.8551 11.5276 H 109 LYS109 0.0282 1671 HE1 20.3082 11.0802 12.9831 H 109 LYS109 0.0559 1672 HE2 19.2557 12.4903 12.9847 H 109 LYS109 0.0559 1673 HZ1 20.9536 12.8593 11.3957 H 109 LYS109 0.2742 1674 HZ2 19.5488 12.6640 10.5953 H 109 LYS109 0.2742 1675 HZ3 20.6382 11.3940 10.6028 H 109 LYS109 0.2742 1676 N 13.6690 9.5830 10.7720 N.am 110 ARG110 -0.2457 1677 CA 12.8270 8.9220 9.7740 C.3 110 ARG110 0.0879 1678 C 13.5860 8.9410 8.4650 C.2 110 ARG110 0.2187 1679 O 14.0150 10.0030 7.9970 O.2 110 ARG110 -0.2778 1680 CB 11.4943 9.6855 9.6486 C.3 110 ARG110 -0.0258 1681 CG 10.7130 9.8656 10.9687 C.3 110 ARG110 -0.0154 1682 CD 9.5450 10.8555 10.7906 C.3 110 ARG110 0.1045 1683 NE 8.7605 11.0866 12.0122 N.pl3 110 ARG110 -0.4450 1684 CZ 9.1704 11.8003 13.0627 C.cat 110 ARG110 0.5062 1685 NH1 10.3962 12.2297 13.1547 N.pl3 110 ARG110 -0.4573 1686 NH2 8.3361 12.0883 14.0271 N.pl3 110 ARG110 -0.4573 1687 H 14.0000 10.5280 10.5780 H 110 ARG110 0.1312 1688 HA 12.6504 7.8901 10.0758 H 110 ARG110 0.0557 1689 HB1 10.8591 9.1882 8.9165 H 110 ARG110 0.0286 1690 HB2 11.6970 10.6685 9.2332 H 110 ARG110 0.0286 1691 HG1 11.3791 10.2306 11.7487 H 110 ARG110 0.0299 1692 HG2 10.3423 8.9007 11.3143 H 110 ARG110 0.0299 1693 HD1 8.8458 10.4772 10.0408 H 110 ARG110 0.0711 1694 HD2 9.8966 11.8252 10.4273 H 110 ARG110 0.0711 1695 HE 7.8364 10.7114 12.0726 H 110 ARG110 0.3153 1696 HH11 10.6574 12.7733 13.9494 H 110 ARG110 0.3114 1697 HH12 11.0651 12.0167 12.4480 H 110 ARG110 0.3114 1698 HH21 8.6432 12.6370 14.8087 H 110 ARG110 0.3114 1699 HH22 7.3886 11.7819 14.0010 H 110 ARG110 0.3114 1700 N 13.7410 7.7740 7.8400 N.am 111 LYS111 -0.2457 1701 CA 14.5140 7.6970 6.5790 C.3 111 LYS111 0.0878 1702 C 13.8390 6.6470 5.6870 C.2 111 LYS111 0.2187 1703 O 13.1980 5.7000 6.1170 O.2 111 LYS111 -0.2778 1704 CB 16.0381 7.5383 6.7491 C.3 111 LYS111 -0.0289 1705 CG 16.5319 6.8972 8.0547 C.3 111 LYS111 -0.0496 1706 CD 16.7437 5.3907 7.9250 C.3 111 LYS111 -0.0278 1707 CE 17.2129 4.7795 9.2467 C.3 111 LYS111 0.1103 1708 NZ 17.6322 3.3878 9.1660 N.4 111 LYS111 -0.0749 1709 H 13.3250 6.9290 8.2320 H 111 LYS111 0.1312 1710 HA 14.3543 8.6383 6.0524 H 111 LYS111 0.0557 1711 HB1 16.4575 8.5402 6.6970 H 111 LYS111 0.0285 1712 HB2 16.4774 7.0293 5.8894 H 111 LYS111 0.0285 1713 HG1 15.8855 7.1248 8.9016 H 111 LYS111 0.0266 1714 HG2 17.4953 7.3420 8.3082 H 111 LYS111 0.0266 1715 HD1 17.4949 5.2178 7.1549 H 111 LYS111 0.0282 1716 HD2 15.8266 4.9101 7.5869 H 111 LYS111 0.0282 1717 HE1 16.4102 4.8457 9.9813 H 111 LYS111 0.0559 1718 HE2 18.0625 5.3436 9.6327 H 111 LYS111 0.0559 1719 HZ1 17.9400 3.0547 10.1019 H 111 LYS111 0.2742 1720 HZ2 18.3927 3.2792 8.4644 H 111 LYS111 0.2742 1721 HZ3 16.8642 2.7965 8.7895 H 111 LYS111 0.2742 1722 N 14.0630 6.8510 4.3930 N.am 112 ARG112 -0.2457 1723 CA 13.6390 5.8860 3.3990 C.3 112 ARG112 0.0879 1724 C 14.7830 4.9130 3.1550 C.2 112 ARG112 0.2187 1725 O 15.9130 5.3360 2.8750 O.2 112 ARG112 -0.2778 1726 CB 13.2345 6.5802 2.0853 C.3 112 ARG112 -0.0258 1727 CG 11.8366 7.2260 2.1165 C.3 112 ARG112 -0.0154 1728 CD 10.6854 6.2390 2.3827 C.3 112 ARG112 0.1045 1729 NE 10.7887 5.0388 1.5473 N.pl3 112 ARG112 -0.4450 1730 CZ 10.1379 4.8094 0.4098 C.cat 112 ARG112 0.5062 1731 NH1 9.3555 5.7005 -0.1375 N.pl3 112 ARG112 -0.4573 1732 NH2 10.2788 3.6514 -0.1649 N.pl3 112 ARG112 -0.4573 1733 H 14.5410 7.7010 4.0950 H 112 ARG112 0.1312 1734 HA 12.8008 5.3146 3.7964 H 112 ARG112 0.0557 1735 HB1 13.2640 5.8643 1.2620 H 112 ARG112 0.0286 1736 HB2 13.9800 7.3365 1.8355 H 112 ARG112 0.0286 1737 HG1 11.6610 7.7158 1.1595 H 112 ARG112 0.0299 1738 HG2 11.8131 8.0183 2.8654 H 112 ARG112 0.0299 1739 HD1 9.7080 6.7072 2.2473 H 112 ARG112 0.0711 1740 HD2 10.7087 5.8900 3.4171 H 112 ARG112 0.0711 1741 HE 11.3773 4.2827 1.8451 H 112 ARG112 0.3153 1742 HH11 8.8756 5.4675 -0.9790 H 112 ARG112 0.3114 1743 HH12 9.2400 6.6019 0.2791 H 112 ARG112 0.3114 1744 HH21 9.6715 3.3235 -0.8976 H 112 ARG112 0.3114 1745 HH22 11.0090 3.0367 0.1337 H 112 ARG112 0.3114 1746 N 14.4560 3.6100 3.2110 N.am 113 GLU113 -0.2456 1747 CA 15.4210 2.5670 2.9300 C.3 113 GLU113 0.0883 1748 C 14.6930 1.4890 2.1520 C.2 113 GLU113 0.2187 1749 O 13.7520 0.8700 2.6350 O.2 113 GLU113 -0.2778 1750 CB 15.9876 2.0324 4.2621 C.3 113 GLU113 -0.0193 1751 CG 16.9013 3.0588 4.9634 C.3 113 GLU113 0.0356 1752 CD 17.2927 2.6664 6.3954 C.2 113 GLU113 0.1760 1753 OE1 18.4539 2.7997 6.7667 O.co2 113 GLU113 -0.6478 1754 OE2 16.4362 2.2491 7.1642 O.co2 113 GLU113 -0.6478 1755 H 13.5020 3.3490 3.4580 H 113 GLU113 0.1312 1756 HA 16.2225 2.9666 2.3048 H 113 GLU113 0.0557 1757 HB1 16.5581 1.1186 4.0895 H 113 GLU113 0.0290 1758 HB2 15.1605 1.7573 4.9189 H 113 GLU113 0.0290 1759 HG1 16.4082 4.0233 5.0535 H 113 GLU113 0.0374 1760 HG2 17.8066 3.2195 4.3783 H 113 GLU113 0.0374 1761 N 15.1230 1.2900 0.8990 N.am 114 ASP114 -0.2451 1762 CA 14.4070 0.3890 -0.0010 C.3 114 ASP114 0.0974 1763 C 12.9410 0.8640 -0.0430 C.2 114 ASP114 0.2192 1764 O 12.6990 2.0750 -0.1740 O.2 114 ASP114 -0.2778 1765 CB 14.5274 -1.0980 0.4076 C.3 114 ASP114 0.0576 1766 CG 15.8880 -1.7166 0.1159 C.2 114 ASP114 0.1780 1767 OD1 16.7346 -1.0554 -0.4780 O.co2 114 ASP114 -0.6478 1768 OD2 16.0710 -2.8730 0.4869 O.co2 114 ASP114 -0.6478 1769 H 15.9590 1.7730 0.5700 H 114 ASP114 0.1312 1770 HA 14.8311 0.5485 -0.9927 H 114 ASP114 0.0563 1771 HB1 13.8349 -1.7162 -0.1600 H 114 ASP114 0.0394 1772 HB2 14.3062 -1.2463 1.4627 H 114 ASP114 0.0394 1773 N 11.9560 -0.0320 0.0510 N.am 115 ASP115 -0.2451 1774 CA 10.5660 0.3310 0.0590 C.3 115 ASP115 0.0974 1775 C 10.0400 0.6230 1.4560 C.2 115 ASP115 0.2192 1776 O 8.8350 0.6910 1.6700 O.2 115 ASP115 -0.2778 1777 CB 9.6127 -0.4537 -0.8566 C.3 115 ASP115 0.0576 1778 CG 8.5454 0.4678 -1.5335 C.2 115 ASP115 0.1780 1779 OD1 8.4506 1.6719 -1.2549 O.co2 115 ASP115 -0.6478 1780 OD2 7.7964 -0.0305 -2.3611 O.co2 115 ASP115 -0.6478 1781 H 12.2020 -1.0200 0.1200 H 115 ASP115 0.1312 1782 HA 10.5868 1.3008 -0.4118 H 115 ASP115 0.0563 1783 HB1 9.1012 -1.2489 -0.3148 H 115 ASP115 0.0394 1784 HB2 10.1799 -0.9231 -1.6596 H 115 ASP115 0.0394 1785 N 10.8880 0.7380 2.4250 N.am 116 LYS116 -0.2456 1786 CA 10.4870 0.9880 3.8160 C.3 116 LYS116 0.0878 1787 C 10.7150 2.4470 4.1960 C.2 116 LYS116 0.2187 1788 O 11.5710 3.1610 3.6260 O.2 116 LYS116 -0.2778 1789 CB 11.3477 0.1314 4.7718 C.3 116 LYS116 -0.0289 1790 CG 11.1838 -1.3790 4.5710 C.3 116 LYS116 -0.0496 1791 CD 12.0933 -1.9805 3.4814 C.3 116 LYS116 -0.0278 1792 CE 11.4980 -3.2653 2.9055 C.3 116 LYS116 0.1103 1793 NZ 10.2516 -2.9795 2.2045 N.4 116 LYS116 -0.0749 1794 H 11.8820 0.6510 2.2140 H 116 LYS116 0.1312 1795 HA 9.4323 0.7353 3.9388 H 116 LYS116 0.0557 1796 HB1 11.0514 0.3601 5.7968 H 116 LYS116 0.0285 1797 HB2 12.4028 0.4009 4.7039 H 116 LYS116 0.0285 1798 HG1 10.1329 -1.5829 4.3739 H 116 LYS116 0.0266 1799 HG2 11.4008 -1.8916 5.5084 H 116 LYS116 0.0266 1800 HD1 13.0794 -2.1791 3.9034 H 116 LYS116 0.0282 1801 HD2 12.2680 -1.2845 2.6655 H 116 LYS116 0.0282 1802 HE1 11.2763 -3.9685 3.7105 H 116 LYS116 0.0559 1803 HE2 12.1858 -3.7527 2.2119 H 116 LYS116 0.0559 1804 HZ1 9.6279 -3.8147 2.1836 H 116 LYS116 0.2742 1805 HZ2 10.4011 -2.5806 1.2635 H 116 LYS116 0.2742 1806 HZ3 9.6765 -2.3141 2.7657 H 116 LYS116 0.2742 1807 N 9.9730 2.8540 5.2160 N.am 117 LEU117 -0.2456 1808 CA 10.2300 4.0710 5.9720 C.3 117 LEU117 0.0880 1809 C 10.6060 3.5830 7.3500 C.2 117 LEU117 0.2187 1810 O 9.8130 2.9560 8.0330 O.2 117 LEU117 -0.2778 1811 CB 8.9973 4.9820 5.9220 C.3 117 LEU117 -0.0266 1812 CG 9.2503 6.4299 6.3779 C.3 117 LEU117 -0.0449 1813 CD1 8.0401 7.3028 6.0187 C.3 117 LEU117 -0.0626 1814 CD2 9.5734 6.5254 7.8760 C.3 117 LEU117 -0.0626 1815 H 9.1750 2.2800 5.4870 H 117 LEU117 0.1312 1816 HA 11.0866 4.5800 5.5294 H 117 LEU117 0.0557 1817 HB1 8.1701 4.5441 6.4794 H 117 LEU117 0.0287 1818 HB2 8.6654 5.0197 4.8848 H 117 LEU117 0.0287 1819 HG 10.1071 6.8236 5.8286 H 117 LEU117 0.0296 1820 HD11 8.1603 8.3193 6.3913 H 117 LEU117 0.0232 1821 HD12 7.1212 6.8965 6.4399 H 117 LEU117 0.0232 1822 HD13 7.9034 7.3611 4.9383 H 117 LEU117 0.0232 1823 HD21 9.5386 7.5580 8.2177 H 117 LEU117 0.0232 1824 HD22 10.5746 6.1578 8.0963 H 117 LEU117 0.0232 1825 HD23 8.8649 5.9501 8.4723 H 117 LEU117 0.0232 1826 N 11.8700 3.8130 7.7310 N.am 118 VAL118 -0.2454 1827 CA 12.4320 3.3320 8.9970 C.3 118 VAL118 0.0901 1828 C 12.4490 4.4760 9.9900 C.2 118 VAL118 0.2189 1829 O 12.9390 5.5710 9.6760 O.2 118 VAL118 -0.2778 1830 CB 13.7810 2.6418 8.7546 C.3 118 VAL118 -0.0227 1831 CG1 14.4668 2.2248 10.0650 C.3 118 VAL118 -0.0608 1832 CG2 13.5750 1.4132 7.8494 C.3 118 VAL118 -0.0608 1833 H 12.4730 4.3510 7.1080 H 118 VAL118 0.1312 1834 HA 11.7510 2.5770 9.3953 H 118 VAL118 0.0560 1835 HB 14.4352 3.3433 8.2403 H 118 VAL118 0.0315 1836 HG11 15.3999 1.6967 9.8670 H 118 VAL118 0.0233 1837 HG12 13.8277 1.5655 10.6528 H 118 VAL118 0.0233 1838 HG13 14.7118 3.0913 10.6774 H 118 VAL118 0.0233 1839 HG21 14.4904 0.8322 7.7441 H 118 VAL118 0.0233 1840 HG22 13.2583 1.7025 6.8470 H 118 VAL118 0.0233 1841 HG23 12.8185 0.7452 8.2603 H 118 VAL118 0.0233 1842 N 11.9070 4.2110 11.1700 N.am 119 VAL119 -0.2454 1843 CA 11.8190 5.1980 12.2630 C.3 119 VAL119 0.0901 1844 C 12.7280 4.7110 13.4070 C.2 119 VAL119 0.2189 1845 O 12.4750 3.6370 13.9620 O.2 119 VAL119 -0.2778 1846 CB 10.3511 5.3966 12.6834 C.3 119 VAL119 -0.0227 1847 CG1 10.2213 6.4614 13.7840 C.3 119 VAL119 -0.0608 1848 CG2 9.4674 5.7627 11.4785 C.3 119 VAL119 -0.0608 1849 H 11.5310 3.2760 11.3310 H 119 VAL119 0.1312 1850 HA 12.2074 6.1427 11.8911 H 119 VAL119 0.0560 1851 HB 9.9823 4.4526 13.0768 H 119 VAL119 0.0315 1852 HG11 9.1810 6.5978 14.0791 H 119 VAL119 0.0233 1853 HG12 10.6035 7.4242 13.4432 H 119 VAL119 0.0233 1854 HG13 10.7811 6.1812 14.6767 H 119 VAL119 0.0233 1855 HG21 8.4382 5.9492 11.7856 H 119 VAL119 0.0233 1856 HG22 9.4419 4.9600 10.7408 H 119 VAL119 0.0233 1857 HG23 9.8352 6.6573 10.9765 H 119 VAL119 0.0233 1858 N 13.7290 5.4760 13.7490 N.am 120 GLU120 -0.2456 1859 CA 14.6320 5.1450 14.8400 C.3 120 GLU120 0.0883 1860 C 14.4600 6.1640 15.9360 C.2 120 GLU120 0.2187 1861 O 14.5980 7.3620 15.7430 O.2 120 GLU120 -0.2778 1862 CB 16.0611 5.1667 14.2830 C.3 120 GLU120 -0.0193 1863 CG 16.2954 4.0174 13.2827 C.3 120 GLU120 0.0356 1864 CD 17.4766 4.2547 12.3309 C.2 120 GLU120 0.1760 1865 OE1 17.8478 5.4009 12.0925 O.co2 120 GLU120 -0.6478 1866 OE2 18.0145 3.2823 11.8112 O.co2 120 GLU120 -0.6478 1867 H 13.8840 6.3410 13.2300 H 120 GLU120 0.1312 1868 HA 14.4093 4.1501 15.2257 H 120 GLU120 0.0557 1869 HB1 16.7962 5.0935 15.0858 H 120 GLU120 0.0290 1870 HB2 16.2241 6.1326 13.8037 H 120 GLU120 0.0290 1871 HG1 15.4246 3.8715 12.6483 H 120 GLU120 0.0374 1872 HG2 16.4506 3.0792 13.8157 H 120 GLU120 0.0374 1873 N 14.1190 5.6670 17.1250 N.am 121 CYS121 -0.2449 1874 CA 13.8020 6.4840 18.2760 C.3 121 CYS121 0.0965 1875 C 14.8950 6.2610 19.3100 C.2 121 CYS121 0.2195 1876 O 15.0990 5.1060 19.7080 O.2 121 CYS121 -0.2778 1877 CB 12.4185 6.0912 18.8007 C.3 121 CYS121 0.0147 1878 SG 11.0918 6.1959 17.5678 S.3 121 CYS121 -0.1762 1879 H 14.0790 4.6530 17.2290 H 121 CYS121 0.1312 1880 HA 13.8027 7.5362 17.9874 H 121 CYS121 0.0565 1881 HB1 12.1574 6.7605 19.6131 H 121 CYS121 0.0394 1882 HB2 12.4372 5.0796 19.2073 H 121 CYS121 0.0394 1883 HG 9.9160 6.0627 18.1836 H 121 CYS121 0.1017 1884 N 15.5560 7.3200 19.7730 N.am 122 VAL122 -0.2454 1885 CA 16.6960 7.1880 20.7000 C.3 122 VAL122 0.0901 1886 C 16.4780 8.0020 21.9210 C.2 122 VAL122 0.2189 1887 O 16.1430 9.2130 21.8450 O.2 122 VAL122 -0.2778 1888 CB 18.0058 7.5845 19.9853 C.3 122 VAL122 -0.0227 1889 CG1 19.2330 7.3439 20.8831 C.3 122 VAL122 -0.0608 1890 CG2 18.1778 6.8214 18.6619 C.3 122 VAL122 -0.0608 1891 H 15.2650 8.2520 19.4770 H 122 VAL122 0.1312 1892 HA 16.7719 6.1444 20.9963 H 122 VAL122 0.0560 1893 HB 17.9626 8.6479 19.7443 H 122 VAL122 0.0315 1894 HG11 20.1563 7.6000 20.3636 H 122 VAL122 0.0233 1895 HG12 19.3001 6.2963 21.1807 H 122 VAL122 0.0233 1896 HG13 19.1961 7.9441 21.7924 H 122 VAL122 0.0233 1897 HG21 19.1302 7.0634 18.1902 H 122 VAL122 0.0233 1898 HG22 17.3936 7.0637 17.9442 H 122 VAL122 0.0233 1899 HG23 18.1560 5.7452 18.8303 H 122 VAL122 0.0233 1900 N 16.6460 7.3970 23.0830 N.am 123 MET123 -0.2456 1901 CA 16.5080 8.1080 24.4420 C.3 123 MET123 0.0885 1902 C 17.7750 7.5490 25.1910 C.2 123 MET123 0.2187 1903 O 17.8450 6.3530 25.4090 O.2 123 MET123 -0.2778 1904 CB 15.1828 7.7503 25.1172 C.3 123 MET123 -0.0199 1905 CG 14.9915 8.4885 26.4443 C.3 123 MET123 -0.0047 1906 SD 14.6812 10.2502 26.2435 S.3 123 MET123 -0.1641 1907 CE 14.4886 10.6822 27.9851 C.3 123 MET123 -0.0181 1908 H 16.8800 6.4040 23.0800 H 123 MET123 0.1312 1909 HA 16.6104 9.1829 24.2851 H 123 MET123 0.0557 1910 HB1 15.1367 6.6727 25.2784 H 123 MET123 0.0293 1911 HB2 14.3552 7.9947 24.4523 H 123 MET123 0.0293 1912 HG1 15.8704 8.3774 27.0755 H 123 MET123 0.0377 1913 HG2 14.1569 8.0557 26.9888 H 123 MET123 0.0377 1914 HE1 15.1505 11.5115 28.2309 H 123 MET123 0.0340 1915 HE2 14.7348 9.8429 28.6363 H 123 MET123 0.0340 1916 HE3 13.4672 11.0024 28.1875 H 123 MET123 0.0340 1917 N 18.6980 8.4410 25.5210 N.am 124 LYS124 -0.2457 1918 CA 20.0310 8.0960 25.9400 C.3 124 LYS124 0.0878 1919 C 20.6850 6.9280 25.0940 C.2 124 LYS124 0.2185 1920 O 21.0110 7.0770 23.9330 O.2 124 LYS124 -0.2778 1921 CB 20.3074 8.1250 27.4566 C.3 124 LYS124 -0.0289 1922 CG 19.5180 7.1883 28.3845 C.3 124 LYS124 -0.0496 1923 CD 20.1194 7.2635 29.8070 C.3 124 LYS124 -0.0278 1924 CE 19.2142 6.7273 30.9205 C.3 124 LYS124 0.1103 1925 NZ 19.0269 5.2824 30.8805 N.4 124 LYS124 -0.0749 1926 H 18.4490 9.4290 25.4750 H 124 LYS124 0.1312 1927 HA 20.5838 8.9573 25.5642 H 124 LYS124 0.0557 1928 HB1 20.1387 9.1458 27.8021 H 124 LYS124 0.0285 1929 HB2 21.3736 7.9481 27.6052 H 124 LYS124 0.0285 1930 HG1 19.5333 6.1609 28.0192 H 124 LYS124 0.0266 1931 HG2 18.4704 7.4934 28.3948 H 124 LYS124 0.0266 1932 HD1 20.3268 8.3091 30.0389 H 124 LYS124 0.0282 1933 HD2 21.0847 6.7566 29.8287 H 124 LYS124 0.0282 1934 HE1 18.2360 7.2041 30.8406 H 124 LYS124 0.0559 1935 HE2 19.6040 6.9852 31.9059 H 124 LYS124 0.0559 1936 HZ1 18.0739 5.0420 31.2403 H 124 LYS124 0.2742 1937 HZ2 19.7683 4.7559 31.3689 H 124 LYS124 0.2742 1938 HZ3 18.9401 4.9693 29.8899 H 124 LYS124 0.2742 1939 N 21.1060 5.8320 25.7650 N.am 125 GLY125 -0.2485 1940 CA 21.6590 4.6890 25.0790 C.3 125 GLY125 0.0765 1941 C 20.6260 3.7270 24.4560 C.2 125 GLY125 0.2155 1942 O 21.1200 2.6740 24.0120 O.2 125 GLY125 -0.2781 1943 H 21.0310 5.8130 26.7820 H 125 GLY125 0.1309 1944 HA1 22.2430 4.1372 25.8142 H 125 GLY125 0.0521 1945 HA2 22.3440 5.0356 24.3038 H 125 GLY125 0.0521 1946 N 19.2720 3.9950 24.5460 N.am 126 VAL126 -0.2456 1947 CA 18.2600 3.0410 24.1200 C.3 126 VAL126 0.0901 1948 C 17.6660 3.4440 22.7980 C.2 126 VAL126 0.2190 1949 O 17.1650 4.5770 22.6610 O.2 126 VAL126 -0.2778 1950 CB 17.1612 2.9446 25.2016 C.3 126 VAL126 -0.0227 1951 CG1 16.0569 1.9434 24.8242 C.3 126 VAL126 -0.0608 1952 CG2 17.7542 2.5564 26.5624 C.3 126 VAL126 -0.0608 1953 H 18.9720 4.8940 24.9250 H 126 VAL126 0.1312 1954 HA 18.7340 2.0638 24.0078 H 126 VAL126 0.0560 1955 HB 16.6968 3.9257 25.3168 H 126 VAL126 0.0315 1956 HG11 15.3233 1.8634 25.6245 H 126 VAL126 0.0233 1957 HG12 16.4712 0.9489 24.6592 H 126 VAL126 0.0233 1958 HG13 15.5227 2.2387 23.9208 H 126 VAL126 0.0233 1959 HG21 16.9703 2.4723 27.3157 H 126 VAL126 0.0233 1960 HG22 18.4682 3.2987 26.9180 H 126 VAL126 0.0233 1961 HG23 18.2664 1.5957 26.5095 H 126 VAL126 0.0233 1962 N 17.7310 2.5470 21.8220 N.am 127 THR127 -0.2434 1963 CA 17.1610 2.7600 20.5070 C.3 127 THR127 0.1135 1964 C 16.0220 1.7980 20.2630 C.2 127 THR127 0.2213 1965 O 16.1370 0.6100 20.5690 O.2 127 THR127 -0.2777 1966 CB 18.2491 2.5996 19.4262 C.3 127 THR127 0.0763 1967 OG1 19.2767 3.5351 19.7183 O.3 127 THR127 -0.3900 1968 CG2 17.7060 2.8371 17.9999 C.3 127 THR127 -0.0370 1969 H 18.2060 1.6640 22.0070 H 127 THR127 0.1313 1970 HA 16.7864 3.7776 20.4603 H 127 THR127 0.0583 1971 HB 18.6517 1.5823 19.5008 H 127 THR127 0.0611 1972 HG1 19.9907 3.4609 19.0934 H 127 THR127 0.2098 1973 HG21 18.4881 2.7656 17.2439 H 127 THR127 0.0255 1974 HG22 17.2471 3.8221 17.9125 H 127 THR127 0.0255 1975 HG23 16.9507 2.0988 17.7305 H 127 THR127 0.0255 1976 N 14.9630 2.2820 19.6650 N.am 128 SER128 -0.2435 1977 CA 13.9030 1.4320 19.1020 C.3 128 SER128 0.1109 1978 C 13.8150 1.7010 17.5950 C.2 128 SER128 0.2210 1979 O 13.8560 2.8460 17.1650 O.2 128 SER128 -0.2777 1980 CB 12.5654 1.7386 19.7955 C.3 128 SER128 0.0681 1981 OG 11.4294 1.1491 19.1756 O.3 128 SER128 -0.3930 1982 H 14.8690 3.2950 19.5860 H 128 SER128 0.1312 1983 HA 14.1769 0.3854 19.2448 H 128 SER128 0.0580 1984 HB1 12.4030 2.8168 19.8107 H 128 SER128 0.0577 1985 HB2 12.6190 1.4253 20.8418 H 128 SER128 0.0577 1986 HG 11.6007 0.2176 19.0477 H 128 SER128 0.2095 1987 N 13.6660 0.6220 16.8330 N.am 129 THR129 -0.2433 1988 CA 13.5400 0.6890 15.3900 C.3 129 THR129 0.1135 1989 C 12.1380 0.2090 14.9960 C.2 129 THR129 0.2212 1990 O 11.7610 -0.9320 15.3400 O.2 129 THR129 -0.2777 1991 CB 14.6508 -0.1317 14.7140 C.3 129 THR129 0.0763 1992 OG1 15.8808 0.3389 15.2403 O.3 129 THR129 -0.3900 1993 CG2 14.6277 0.0327 13.1815 C.3 129 THR129 -0.0370 1994 H 13.6390 -0.2930 17.2830 H 129 THR129 0.1313 1995 HA 13.6519 1.7281 15.0765 H 129 THR129 0.0583 1996 HB 14.5224 -1.1858 14.9858 H 129 THR129 0.0611 1997 HG1 16.6190 -0.0976 14.8261 H 129 THR129 0.2098 1998 HG21 15.3931 -0.5720 12.6947 H 129 THR129 0.0255 1999 HG22 14.7989 1.0730 12.9012 H 129 THR129 0.0255 2000 HG23 13.6690 -0.2704 12.7607 H 129 THR129 0.0255 2001 N 11.4160 1.0360 14.2760 N.am 130 ARG130 -0.2456 2002 CA 10.0240 0.7670 13.8460 C.3 130 ARG130 0.0879 2003 C 10.0050 0.9110 12.3330 C.2 130 ARG130 0.2187 2004 O 10.3770 1.9510 11.7940 O.2 130 ARG130 -0.2778 2005 CB 9.0987 1.7774 14.5234 C.3 130 ARG130 -0.0258 2006 CG 9.1430 1.7010 16.0585 C.3 130 ARG130 -0.0154 2007 CD 8.3872 2.8677 16.7005 C.3 130 ARG130 0.1045 2008 NE 7.0164 2.9160 16.1907 N.pl3 130 ARG130 -0.4450 2009 CZ 6.0287 2.1562 16.6422 C.cat 130 ARG130 0.5062 2010 NH1 6.2000 1.3237 17.6354 N.pl3 130 ARG130 -0.4573 2011 NH2 4.8639 2.2513 16.0683 N.pl3 130 ARG130 -0.4573 2012 H 11.8400 1.9200 13.9950 H 130 ARG130 0.1312 2013 HA 9.7585 -0.2550 14.1167 H 130 ARG130 0.0557 2014 HB1 8.0797 1.6220 14.1692 H 130 ARG130 0.0286 2015 HB2 9.3853 2.7812 14.2181 H 130 ARG130 0.0286 2016 HG1 10.1718 1.7296 16.4192 H 130 ARG130 0.0299 2017 HG2 8.7326 0.7470 16.3904 H 130 ARG130 0.0299 2018 HD1 8.8615 3.8161 16.4365 H 130 ARG130 0.0711 2019 HD2 8.3821 2.8055 17.7901 H 130 ARG130 0.0711 2020 HE 6.7754 3.5381 15.4449 H 130 ARG130 0.3153 2021 HH11 5.4439 0.7750 17.9794 H 130 ARG130 0.3114 2022 HH12 7.1026 1.2393 18.0543 H 130 ARG130 0.3114 2023 HH21 4.0861 1.7297 16.4061 H 130 ARG130 0.3114 2024 HH22 4.7631 2.8575 15.2781 H 130 ARG130 0.3114 2025 N 9.5950 -0.1490 11.6520 N.am 131 VAL131 -0.2454 2026 CA 9.6470 -0.2070 10.1990 C.3 131 VAL131 0.0901 2027 C 8.2280 -0.1020 9.6480 C.2 131 VAL131 0.2189 2028 O 7.3570 -0.8550 10.0910 O.2 131 VAL131 -0.2778 2029 CB 10.3215 -1.5146 9.7429 C.3 131 VAL131 -0.0227 2030 CG1 10.4417 -1.5938 8.2115 C.3 131 VAL131 -0.0608 2031 CG2 11.7075 -1.6803 10.3876 C.3 131 VAL131 -0.0608 2032 H 9.2300 -0.9520 12.1640 H 131 VAL131 0.1312 2033 HA 10.2294 0.6383 9.8248 H 131 VAL131 0.0560 2034 HB 9.6976 -2.3475 10.0656 H 131 VAL131 0.0315 2035 HG11 10.9259 -2.5211 7.9053 H 131 VAL131 0.0233 2036 HG12 11.0345 -0.7660 7.8232 H 131 VAL131 0.0233 2037 HG13 9.4677 -1.5634 7.7223 H 131 VAL131 0.0233 2038 HG21 12.2032 -2.5801 10.0238 H 131 VAL131 0.0233 2039 HG22 11.6424 -1.7647 11.4727 H 131 VAL131 0.0233 2040 HG23 12.3525 -0.8315 10.1571 H 131 VAL131 0.0233 2041 N 8.0440 0.7830 8.6900 N.am 132 TYR132 -0.2453 2042 CA 6.7990 0.9920 8.0000 C.3 132 TYR132 0.0917 2043 C 6.9600 0.6530 6.5110 C.2 132 TYR132 0.2190 2044 O 8.0450 0.8520 5.9220 O.2 132 TYR132 -0.2778 2045 CB 6.3535 2.4513 8.1865 C.3 132 TYR132 -0.0036 2046 CG 6.0164 2.8212 9.6144 C.ar 132 TYR132 -0.0453 2047 CD1 7.0162 3.0121 10.5670 C.ar 132 TYR132 -0.0561 2048 CD2 4.6911 3.0204 9.9942 C.ar 132 TYR132 -0.0561 2049 CE1 6.6949 3.3215 11.8834 C.ar 132 TYR132 -0.0317 2050 CE2 4.3666 3.3429 11.3065 C.ar 132 TYR132 -0.0317 2051 CZ 5.3675 3.4737 12.2599 C.ar 132 TYR132 0.0726 2052 OH 5.0391 3.7521 13.5754 O.3 132 TYR132 -0.3598 2053 H 8.8400 1.3600 8.4180 H 132 TYR132 0.1312 2054 HA 6.0586 0.3143 8.4219 H 132 TYR132 0.0560 2055 HB1 5.4687 2.6018 7.5772 H 132 TYR132 0.0333 2056 HB2 7.1179 3.1325 7.8154 H 132 TYR132 0.0333 2057 HD1 8.0556 2.8988 10.2919 H 132 TYR132 0.0621 2058 HD2 3.8985 2.9108 9.2677 H 132 TYR132 0.0621 2059 HE1 7.4831 3.4398 12.6110 H 132 TYR132 0.0643 2060 HE2 3.3300 3.4695 11.5838 H 132 TYR132 0.0643 2061 HH 4.2015 4.2034 13.5699 H 132 TYR132 0.2173 2062 N 5.8730 0.1830 5.9060 N.am 133 GLU133 -0.2456 2063 CA 5.7750 -0.0540 4.4490 C.3 133 GLU133 0.0883 2064 C 4.5870 0.7130 3.9300 C.2 133 GLU133 0.2187 2065 O 3.6970 1.0990 4.6710 O.2 133 GLU133 -0.2778 2066 CB 5.5166 -1.5592 4.2269 C.3 133 GLU133 -0.0193 2067 CG 6.6745 -2.4786 4.6610 C.3 133 GLU133 0.0356 2068 CD 7.7308 -2.6948 3.5711 C.2 133 GLU133 0.1760 2069 OE1 8.0334 -1.7781 2.8206 O.co2 133 GLU133 -0.6478 2070 OE2 8.2734 -3.7903 3.4621 O.co2 133 GLU133 -0.6478 2071 H 5.0570 -0.0270 6.4810 H 133 GLU133 0.1312 2072 HA 6.6869 0.2740 3.9476 H 133 GLU133 0.0557 2073 HB1 5.2679 -1.7602 3.1831 H 133 GLU133 0.0290 2074 HB2 4.6316 -1.8409 4.7996 H 133 GLU133 0.0290 2075 HG1 6.2835 -3.4625 4.9115 H 133 GLU133 0.0374 2076 HG2 7.1751 -2.0976 5.5483 H 133 GLU133 0.0374 2077 N 4.5030 0.9220 2.6120 N.am 134 ARG134 -0.2457 2078 CA 3.3660 1.6160 2.0620 C.3 134 ARG134 0.0879 2079 C 2.1110 0.8400 2.3010 C.2 134 ARG134 0.2187 2080 O 2.0410 -0.3760 2.1550 O.2 134 ARG134 -0.2778 2081 CB 3.6016 1.8165 0.5630 C.3 134 ARG134 -0.0258 2082 CG 4.8424 2.6777 0.2759 C.3 134 ARG134 -0.0154 2083 CD 5.1103 2.8985 -1.2166 C.3 134 ARG134 0.1045 2084 NE 5.4955 1.6466 -1.8570 N.pl3 134 ARG134 -0.4450 2085 CZ 4.6787 0.7877 -2.4521 C.cat 134 ARG134 0.5062 2086 NH1 3.3879 0.9896 -2.5091 N.pl3 134 ARG134 -0.4573 2087 NH2 5.1804 -0.2843 -2.9877 N.pl3 134 ARG134 -0.4573 2088 H 5.2450 0.5900 1.9950 H 134 ARG134 0.1312 2089 HA 3.2964 2.5832 2.5655 H 134 ARG134 0.0557 2090 HB1 2.7247 2.2821 0.1099 H 134 ARG134 0.0286 2091 HB2 3.7149 0.8343 0.1053 H 134 ARG134 0.0286 2092 HG1 5.7288 2.2202 0.7168 H 134 ARG134 0.0299 2093 HG2 4.7207 3.6458 0.7624 H 134 ARG134 0.0299 2094 HD1 5.9605 3.5708 -1.3466 H 134 ARG134 0.0711 2095 HD2 4.2597 3.3445 -1.7358 H 134 ARG134 0.0711 2096 HE 6.4721 1.3735 -1.8562 H 134 ARG134 0.3153 2097 HH11 2.7937 0.3379 -2.9695 H 134 ARG134 0.3114 2098 HH12 3.0045 1.8010 -2.0776 H 134 ARG134 0.3114 2099 HH21 4.6305 -0.9656 -3.4527 H 134 ARG134 0.3114 2100 HH22 6.1782 -0.3963 -2.9037 H 134 ARG134 0.3114 2101 N 1.0410 1.5600 2.6130 N.am 135 ALA135 -0.2442 2102 CA -0.2500 0.9490 2.8280 C.3 135 ALA135 0.0977 2103 C -0.8840 0.5130 1.5250 C.2 135 ALA135 0.1940 2104 O -0.5640 1.0530 0.4640 O.co2 135 ALA135 -0.6467 2105 CB -1.1367 2.0049 3.4983 C.3 135 ALA135 -0.0393 2106 OXT -1.6652 -0.4384 1.5957 O.co2 135 ALA135 -0.6467 2107 H 1.1320 2.5720 2.7030 H 135 ALA135 0.1312 2108 HA -0.1268 0.1499 3.5367 H 135 ALA135 0.0573 2109 HB1 -2.1313 1.6126 3.7127 H 135 ALA135 0.0250 2110 HB2 -1.2519 2.8857 2.8649 H 135 ALA135 0.0250 2111 HB3 -0.6971 2.3292 4.4418 H 135 ALA135 0.0250 @BOND 1 1 2 1 2 1 5 1 3 1 6 1 4 1 7 1 5 2 3 1 6 2 8 1 7 2 9 1 8 3 4 2 9 3 10 am 10 10 11 1 11 10 16 1 12 11 14 1 13 11 12 1 14 11 17 1 15 12 13 2 16 12 21 am 17 14 15 1 18 14 18 1 19 14 19 1 20 15 20 1 21 21 22 1 22 21 31 1 23 22 25 1 24 22 23 1 25 22 32 1 26 23 24 2 27 23 38 am 28 25 26 1 29 25 33 1 30 25 34 1 31 26 27 ar 32 26 28 ar 33 27 29 ar 34 28 30 ar 35 28 35 1 36 29 30 ar 37 29 36 1 38 30 37 1 39 38 39 1 40 38 46 1 41 39 42 1 42 39 40 1 43 39 47 1 44 40 41 2 45 40 55 am 46 42 43 1 47 42 48 1 48 42 49 1 49 43 44 1 50 43 50 1 51 43 51 1 52 44 45 1 53 45 52 1 54 45 53 1 55 45 54 1 56 55 56 1 57 55 61 1 58 56 59 1 59 56 57 1 60 56 62 1 61 57 58 2 62 57 66 am 63 59 60 1 64 59 63 1 65 59 64 1 66 60 65 1 67 66 67 1 68 66 74 1 69 67 70 1 70 67 68 1 71 67 75 1 72 68 69 2 73 68 78 am 74 70 71 1 75 70 76 1 76 70 77 1 77 71 72 ar 78 71 73 ar 79 78 79 1 80 78 83 1 81 79 82 1 82 79 80 1 83 79 84 1 84 80 81 2 85 80 88 am 86 82 85 1 87 82 86 1 88 82 87 1 89 88 89 1 90 88 99 1 91 89 92 1 92 89 90 1 93 89 100 1 94 90 91 2 95 90 108 am 96 92 93 1 97 92 101 1 98 92 102 1 99 93 94 ar 100 93 95 ar 101 94 96 ar 102 94 103 1 103 95 97 ar 104 95 104 1 105 96 98 ar 106 96 105 1 107 97 98 ar 108 97 106 1 109 98 107 1 110 108 109 1 111 108 115 1 112 109 112 1 113 109 110 1 114 109 116 1 115 110 111 2 116 110 124 am 117 112 113 1 118 112 114 1 119 112 117 1 120 113 118 1 121 113 119 1 122 113 120 1 123 114 121 1 124 114 122 1 125 114 123 1 126 124 125 1 127 124 128 1 128 125 126 1 129 125 129 1 130 125 130 1 131 126 127 2 132 126 131 am 133 131 132 1 134 131 138 1 135 132 135 1 136 132 133 1 137 132 139 1 138 133 134 2 139 133 145 am 140 135 137 1 141 135 136 1 142 135 140 1 143 136 141 1 144 137 142 1 145 137 143 1 146 137 144 1 147 145 146 1 148 145 159 1 149 146 149 1 150 146 147 1 151 146 160 1 152 147 148 2 153 147 169 am 154 149 150 1 155 149 161 1 156 149 162 1 157 150 151 ar 158 150 152 ar 159 151 153 ar 160 151 163 1 161 152 154 ar 162 152 155 ar 163 153 154 ar 164 153 164 1 165 154 156 ar 166 155 157 ar 167 155 165 1 168 156 158 ar 169 156 166 1 170 157 158 ar 171 157 167 1 172 158 168 1 173 169 170 1 174 169 178 1 175 170 173 1 176 170 171 1 177 170 179 1 178 171 172 2 179 171 191 am 180 173 174 1 181 173 180 1 182 173 181 1 183 174 175 1 184 174 182 1 185 174 183 1 186 175 176 1 187 175 184 1 188 175 185 1 189 176 177 1 190 176 186 1 191 176 187 1 192 177 188 1 193 177 189 1 194 177 190 1 195 191 192 1 196 191 199 1 197 192 195 1 198 192 193 1 199 192 200 1 200 193 194 2 201 193 210 am 202 195 196 1 203 195 201 1 204 195 202 1 205 196 197 1 206 196 198 1 207 196 203 1 208 197 204 1 209 197 205 1 210 197 206 1 211 198 207 1 212 198 208 1 213 198 209 1 214 210 211 1 215 210 217 1 216 211 214 1 217 211 212 1 218 211 218 1 219 212 213 2 220 212 226 am 221 214 215 1 222 214 216 1 223 214 219 1 224 215 220 1 225 215 221 1 226 215 222 1 227 216 223 1 228 216 224 1 229 216 225 1 230 226 227 1 231 226 232 1 232 227 230 1 233 227 228 1 234 227 233 1 235 228 229 2 236 228 237 am 237 230 231 1 238 230 234 1 239 230 235 1 240 231 236 1 241 237 238 1 242 237 243 1 243 238 241 1 244 238 239 1 245 238 244 1 246 239 240 2 247 239 248 am 248 241 242 1 249 241 245 1 250 241 246 1 251 242 247 1 252 248 249 1 253 248 257 1 254 249 252 1 255 249 250 1 256 249 258 1 257 250 251 2 258 250 263 am 259 252 253 1 260 252 259 1 261 252 260 1 262 253 254 1 263 253 261 1 264 253 262 1 265 254 255 ar 266 254 256 ar 267 263 264 1 268 263 271 1 269 264 267 1 270 264 265 1 271 264 272 1 272 265 266 2 273 265 277 am 274 267 268 1 275 267 273 1 276 267 274 1 277 268 269 2 278 268 270 am 279 270 275 1 280 270 276 1 281 277 278 1 282 277 288 1 283 278 281 1 284 278 279 1 285 278 289 1 286 279 280 2 287 279 297 am 288 281 282 1 289 281 290 1 290 281 291 1 291 282 283 ar 292 282 284 ar 293 283 285 ar 294 283 292 1 295 284 286 ar 296 284 293 1 297 285 287 ar 298 285 294 1 299 286 287 ar 300 286 295 1 301 287 296 1 302 297 298 1 303 297 305 1 304 298 301 1 305 298 299 1 306 298 306 1 307 299 300 2 308 299 309 am 309 301 302 1 310 301 307 1 311 301 308 1 312 302 303 ar 313 302 304 ar 314 309 310 1 315 309 317 1 316 310 313 1 317 310 311 1 318 310 318 1 319 311 312 2 320 311 321 am 321 313 314 1 322 313 319 1 323 313 320 1 324 314 315 ar 325 314 316 ar 326 321 322 1 327 321 333 1 328 322 325 1 329 322 323 1 330 322 334 1 331 323 324 2 332 323 342 am 333 325 326 1 334 325 335 1 335 325 336 1 336 326 327 ar 337 326 328 ar 338 327 329 ar 339 327 337 1 340 328 330 ar 341 328 338 1 342 329 331 ar 343 329 339 1 344 330 331 ar 345 330 340 1 346 331 332 1 347 332 341 1 348 342 343 1 349 342 350 1 350 343 346 1 351 343 344 1 352 343 351 1 353 344 345 2 354 344 359 am 355 346 347 1 356 346 352 1 357 346 353 1 358 347 348 1 359 347 354 1 360 347 355 1 361 348 349 1 362 349 356 1 363 349 357 1 364 349 358 1 365 359 360 1 366 359 368 1 367 360 363 1 368 360 361 1 369 360 369 1 370 361 362 2 371 361 381 am 372 363 364 1 373 363 370 1 374 363 371 1 375 364 365 1 376 364 372 1 377 364 373 1 378 365 366 1 379 365 374 1 380 365 375 1 381 366 367 1 382 366 376 1 383 366 377 1 384 367 378 1 385 367 379 1 386 367 380 1 387 381 382 1 388 381 390 1 389 382 385 1 390 382 383 1 391 382 391 1 392 383 384 2 393 383 396 am 394 385 386 1 395 385 392 1 396 385 393 1 397 386 387 1 398 386 394 1 399 386 395 1 400 387 388 ar 401 387 389 ar 402 396 397 1 403 396 403 1 404 397 400 1 405 397 398 1 406 397 404 1 407 398 399 2 408 398 412 am 409 400 401 1 410 400 402 1 411 400 405 1 412 401 406 1 413 401 407 1 414 401 408 1 415 402 409 1 416 402 410 1 417 402 411 1 418 412 413 1 419 412 416 1 420 413 414 1 421 413 417 1 422 413 418 1 423 414 415 2 424 414 419 am 425 419 420 1 426 419 426 1 427 420 423 1 428 420 421 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510 am 500 490 491 1 501 490 499 1 502 490 500 1 503 491 492 1 504 491 501 1 505 491 502 1 506 492 493 1 507 492 503 1 508 492 504 1 509 493 494 ar 510 493 505 1 511 494 495 ar 512 494 496 ar 513 495 506 1 514 495 507 1 515 496 508 1 516 496 509 1 517 510 511 1 518 510 519 1 519 511 514 1 520 511 512 1 521 511 520 1 522 512 513 2 523 512 532 am 524 514 515 1 525 514 521 1 526 514 522 1 527 515 516 1 528 515 523 1 529 515 524 1 530 516 517 1 531 516 525 1 532 516 526 1 533 517 518 1 534 517 527 1 535 517 528 1 536 518 529 1 537 518 530 1 538 518 531 1 539 532 533 1 540 532 539 1 541 533 536 1 542 533 534 1 543 533 540 1 544 534 535 2 545 534 548 am 546 536 537 1 547 536 538 1 548 536 541 1 549 537 542 1 550 537 543 1 551 537 544 1 552 538 545 1 553 538 546 1 554 538 547 1 555 548 549 1 556 548 553 1 557 549 552 1 558 549 550 1 559 549 554 1 560 550 551 2 561 550 558 am 562 552 555 1 563 552 556 1 564 552 557 1 565 558 559 1 566 558 562 1 567 559 560 1 568 559 563 1 569 559 564 1 570 560 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1858 1859 1 1873 1858 1867 1 1874 1859 1862 1 1875 1859 1860 1 1876 1859 1868 1 1877 1860 1861 2 1878 1860 1873 am 1879 1862 1863 1 1880 1862 1869 1 1881 1862 1870 1 1882 1863 1864 1 1883 1863 1871 1 1884 1863 1872 1 1885 1864 1865 ar 1886 1864 1866 ar 1887 1873 1874 1 1888 1873 1879 1 1889 1874 1877 1 1890 1874 1875 1 1891 1874 1880 1 1892 1875 1876 2 1893 1875 1884 am 1894 1877 1878 1 1895 1877 1881 1 1896 1877 1882 1 1897 1878 1883 1 1898 1884 1885 1 1899 1884 1891 1 1900 1885 1888 1 1901 1885 1886 1 1902 1885 1892 1 1903 1886 1887 2 1904 1886 1900 am 1905 1888 1889 1 1906 1888 1890 1 1907 1888 1893 1 1908 1889 1894 1 1909 1889 1895 1 1910 1889 1896 1 1911 1890 1897 1 1912 1890 1898 1 1913 1890 1899 1 1914 1900 1901 1 1915 1900 1908 1 1916 1901 1904 1 1917 1901 1902 1 1918 1901 1909 1 1919 1902 1903 2 1920 1902 1917 am 1921 1904 1905 1 1922 1904 1910 1 1923 1904 1911 1 1924 1905 1906 1 1925 1905 1912 1 1926 1905 1913 1 1927 1906 1907 1 1928 1907 1914 1 1929 1907 1915 1 1930 1907 1916 1 1931 1917 1918 1 1932 1917 1926 1 1933 1918 1921 1 1934 1918 1919 1 1935 1918 1927 1 1936 1919 1920 2 1937 1919 1939 am 1938 1921 1922 1 1939 1921 1928 1 1940 1921 1929 1 1941 1922 1923 1 1942 1922 1930 1 1943 1922 1931 1 1944 1923 1924 1 1945 1923 1932 1 1946 1923 1933 1 1947 1924 1925 1 1948 1924 1934 1 1949 1924 1935 1 1950 1925 1936 1 1951 1925 1937 1 1952 1925 1938 1 1953 1939 1940 1 1954 1939 1943 1 1955 1940 1941 1 1956 1940 1944 1 1957 1940 1945 1 1958 1941 1942 2 1959 1941 1946 am 1960 1946 1947 1 1961 1946 1953 1 1962 1947 1950 1 1963 1947 1948 1 1964 1947 1954 1 1965 1948 1949 2 1966 1948 1962 am 1967 1950 1951 1 1968 1950 1952 1 1969 1950 1955 1 1970 1951 1956 1 1971 1951 1957 1 1972 1951 1958 1 1973 1952 1959 1 1974 1952 1960 1 1975 1952 1961 1 1976 1962 1963 1 1977 1962 1969 1 1978 1963 1966 1 1979 1963 1964 1 1980 1963 1970 1 1981 1964 1965 2 1982 1964 1976 am 1983 1966 1968 1 1984 1966 1967 1 1985 1966 1971 1 1986 1967 1972 1 1987 1968 1973 1 1988 1968 1974 1 1989 1968 1975 1 1990 1976 1977 1 1991 1976 1982 1 1992 1977 1980 1 1993 1977 1978 1 1994 1977 1983 1 1995 1978 1979 2 1996 1978 1987 am 1997 1980 1981 1 1998 1980 1984 1 1999 1980 1985 1 2000 1981 1986 1 2001 1987 1988 1 2002 1987 1994 1 2003 1988 1991 1 2004 1988 1989 1 2005 1988 1995 1 2006 1989 1990 2 2007 1989 2001 am 2008 1991 1993 1 2009 1991 1992 1 2010 1991 1996 1 2011 1992 1997 1 2012 1993 1998 1 2013 1993 1999 1 2014 1993 2000 1 2015 2001 2002 1 2016 2001 2012 1 2017 2002 2005 1 2018 2002 2003 1 2019 2002 2013 1 2020 2003 2004 2 2021 2003 2025 am 2022 2005 2006 1 2023 2005 2014 1 2024 2005 2015 1 2025 2006 2007 1 2026 2006 2016 1 2027 2006 2017 1 2028 2007 2008 1 2029 2007 2018 1 2030 2007 2019 1 2031 2008 2009 ar 2032 2008 2020 1 2033 2009 2010 ar 2034 2009 2011 ar 2035 2010 2021 1 2036 2010 2022 1 2037 2011 2023 1 2038 2011 2024 1 2039 2025 2026 1 2040 2025 2032 1 2041 2026 2029 1 2042 2026 2027 1 2043 2026 2033 1 2044 2027 2028 2 2045 2027 2041 am 2046 2029 2030 1 2047 2029 2031 1 2048 2029 2034 1 2049 2030 2035 1 2050 2030 2036 1 2051 2030 2037 1 2052 2031 2038 1 2053 2031 2039 1 2054 2031 2040 1 2055 2041 2042 1 2056 2041 2053 1 2057 2042 2045 1 2058 2042 2043 1 2059 2042 2054 1 2060 2043 2044 2 2061 2043 2062 am 2062 2045 2046 1 2063 2045 2055 1 2064 2045 2056 1 2065 2046 2047 ar 2066 2046 2048 ar 2067 2047 2049 ar 2068 2047 2057 1 2069 2048 2050 ar 2070 2048 2058 1 2071 2049 2051 ar 2072 2049 2059 1 2073 2050 2051 ar 2074 2050 2060 1 2075 2051 2052 1 2076 2052 2061 1 2077 2062 2063 1 2078 2062 2071 1 2079 2063 2066 1 2080 2063 2064 1 2081 2063 2072 1 2082 2064 2065 2 2083 2064 2077 am 2084 2066 2067 1 2085 2066 2073 1 2086 2066 2074 1 2087 2067 2068 1 2088 2067 2075 1 2089 2067 2076 1 2090 2068 2069 ar 2091 2068 2070 ar 2092 2077 2078 1 2093 2077 2088 1 2094 2078 2081 1 2095 2078 2079 1 2096 2078 2089 1 2097 2079 2080 2 2098 2079 2101 am 2099 2081 2082 1 2100 2081 2090 1 2101 2081 2091 1 2102 2082 2083 1 2103 2082 2092 1 2104 2082 2093 1 2105 2083 2084 1 2106 2083 2094 1 2107 2083 2095 1 2108 2084 2085 ar 2109 2084 2096 1 2110 2085 2086 ar 2111 2085 2087 ar 2112 2086 2097 1 2113 2086 2098 1 2114 2087 2099 1 2115 2087 2100 1 2116 2101 2102 1 2117 2101 2107 1 2118 2102 2105 1 2119 2102 2103 1 2120 2102 2108 1 2121 2103 2104 ar 2122 2103 2106 ar 2123 2105 2109 1 2124 2105 2110 1 2125 2105 2111 1 @SUBSTRUCTURE 1 GLY1 2 RESIDUE 1 A GLY 1 ROOT 2 SER2 11 RESIDUE 1 A SER 2 3 HIS3 22 RESIDUE 1 A HIS 2 4 MET4 39 RESIDUE 1 A MET 2 5 CYS5 56 RESIDUE 1 A CYS 2 6 ASP6 67 RESIDUE 1 A ASP 2 7 ALA7 79 RESIDUE 1 A ALA 2 8 PHE8 89 RESIDUE 1 A PHE 2 9 VAL9 109 RESIDUE 1 A VAL 2 10 GLY10 125 RESIDUE 1 A GLY 2 11 THR11 132 RESIDUE 1 A THR 2 12 TRP12 146 RESIDUE 1 A TRP 2 13 LYS13 170 RESIDUE 1 A LYS 2 14 LEU14 192 RESIDUE 1 A LEU 2 15 VAL15 211 RESIDUE 1 A VAL 2 16 SER16 227 RESIDUE 1 A SER 2 17 SER17 238 RESIDUE 1 A SER 2 18 GLU18 249 RESIDUE 1 A GLU 2 19 ASN19 264 RESIDUE 1 A ASN 2 20 PHE20 278 RESIDUE 1 A PHE 2 21 ASP21 298 RESIDUE 1 A ASP 2 22 ASP22 310 RESIDUE 1 A ASP 2 23 TYR23 322 RESIDUE 1 A TYR 2 24 MET24 343 RESIDUE 1 A MET 2 25 LYS25 360 RESIDUE 1 A LYS 2 26 GLU26 382 RESIDUE 1 A GLU 2 27 VAL27 397 RESIDUE 1 A VAL 2 28 GLY28 413 RESIDUE 1 A GLY 2 29 VAL29 420 RESIDUE 1 A VAL 2 30 GLY30 436 RESIDUE 1 A GLY 2 31 PHE31 443 RESIDUE 1 A PHE 2 32 ALA32 463 RESIDUE 1 A ALA 2 33 THR33 473 RESIDUE 1 A THR 2 34 ARG34 487 RESIDUE 1 A ARG 2 35 LYS35 511 RESIDUE 1 A LYS 2 36 VAL36 533 RESIDUE 1 A VAL 2 37 ALA37 549 RESIDUE 1 A ALA 2 38 GLY38 559 RESIDUE 1 A GLY 2 39 MET39 566 RESIDUE 1 A MET 2 40 ALA40 583 RESIDUE 1 A ALA 2 41 LYS41 593 RESIDUE 1 A LYS 2 42 PRO42 615 RESIDUE 1 A PRO 2 43 ASN43 629 RESIDUE 1 A ASN 2 44 MET44 643 RESIDUE 1 A MET 2 45 ILE45 660 RESIDUE 1 A ILE 2 46 ILE46 679 RESIDUE 1 A ILE 2 47 SER47 698 RESIDUE 1 A SER 2 48 VAL48 709 RESIDUE 1 A VAL 2 49 ASN49 725 RESIDUE 1 A ASN 2 50 GLY50 739 RESIDUE 1 A GLY 2 51 ASP51 746 RESIDUE 1 A ASP 2 52 VAL52 758 RESIDUE 1 A VAL 2 53 ILE53 774 RESIDUE 1 A ILE 2 54 THR54 793 RESIDUE 1 A THR 2 55 ILE55 807 RESIDUE 1 A ILE 2 56 LYS56 826 RESIDUE 1 A LYS 2 57 SER57 848 RESIDUE 1 A SER 2 58 GLU58 859 RESIDUE 1 A GLU 2 59 SER59 874 RESIDUE 1 A SER 2 60 THR60 885 RESIDUE 1 A THR 2 61 PHE61 899 RESIDUE 1 A PHE 2 62 LYS62 919 RESIDUE 1 A LYS 2 63 ASN63 941 RESIDUE 1 A ASN 2 64 THR64 955 RESIDUE 1 A THR 2 65 GLU65 969 RESIDUE 1 A GLU 2 66 ILE66 984 RESIDUE 1 A ILE 2 67 SER67 1003 RESIDUE 1 A SER 2 68 PHE68 1014 RESIDUE 1 A PHE 2 69 ILE69 1034 RESIDUE 1 A ILE 2 70 LEU70 1053 RESIDUE 1 A LEU 2 71 GLY71 1072 RESIDUE 1 A GLY 2 72 GLN72 1079 RESIDUE 1 A GLN 2 73 GLU73 1096 RESIDUE 1 A GLU 2 74 PHE74 1111 RESIDUE 1 A PHE 2 75 ASP75 1131 RESIDUE 1 A ASP 2 76 GLU76 1143 RESIDUE 1 A GLU 2 77 VAL77 1158 RESIDUE 1 A VAL 2 78 THR78 1174 RESIDUE 1 A THR 2 79 ALA79 1188 RESIDUE 1 A ALA 2 80 ASP80 1198 RESIDUE 1 A ASP 2 81 ASP81 1210 RESIDUE 1 A ASP 2 82 ARG82 1222 RESIDUE 1 A ARG 2 83 LYS83 1246 RESIDUE 1 A LYS 2 84 VAL84 1268 RESIDUE 1 A VAL 2 85 LYS85 1284 RESIDUE 1 A LYS 2 86 SER86 1306 RESIDUE 1 A SER 2 87 THR87 1317 RESIDUE 1 A THR 2 88 ILE88 1331 RESIDUE 1 A ILE 2 89 THR89 1350 RESIDUE 1 A THR 2 90 LEU90 1364 RESIDUE 1 A LEU 2 91 ASP91 1383 RESIDUE 1 A ASP 2 92 GLY92 1395 RESIDUE 1 A GLY 2 93 GLY93 1402 RESIDUE 1 A GLY 2 94 VAL94 1409 RESIDUE 1 A VAL 2 95 LEU95 1425 RESIDUE 1 A LEU 2 96 VAL96 1444 RESIDUE 1 A VAL 2 97 HIS97 1460 RESIDUE 1 A HIS 2 98 VAL98 1477 RESIDUE 1 A VAL 2 99 GLN99 1493 RESIDUE 1 A GLN 2 100 LYS100 1510 RESIDUE 1 A LYS 2 101 TRP101 1532 RESIDUE 1 A TRP 2 102 ASP102 1556 RESIDUE 1 A ASP 2 103 GLY103 1568 RESIDUE 1 A GLY 2 104 LYS104 1575 RESIDUE 1 A LYS 2 105 SER105 1597 RESIDUE 1 A SER 2 106 THR106 1608 RESIDUE 1 A THR 2 107 THR107 1622 RESIDUE 1 A THR 2 108 ILE108 1636 RESIDUE 1 A ILE 2 109 LYS109 1655 RESIDUE 1 A LYS 2 110 ARG110 1677 RESIDUE 1 A ARG 2 111 LYS111 1701 RESIDUE 1 A LYS 2 112 ARG112 1723 RESIDUE 1 A ARG 2 113 GLU113 1747 RESIDUE 1 A GLU 2 114 ASP114 1762 RESIDUE 1 A ASP 2 115 ASP115 1774 RESIDUE 1 A ASP 2 116 LYS116 1786 RESIDUE 1 A LYS 2 117 LEU117 1808 RESIDUE 1 A LEU 2 118 VAL118 1827 RESIDUE 1 A VAL 2 119 VAL119 1843 RESIDUE 1 A VAL 2 120 GLU120 1859 RESIDUE 1 A GLU 2 121 CYS121 1874 RESIDUE 1 A CYS 2 122 VAL122 1885 RESIDUE 1 A VAL 2 123 MET123 1901 RESIDUE 1 A MET 2 124 LYS124 1918 RESIDUE 1 A LYS 2 125 GLY125 1940 RESIDUE 1 A GLY 2 126 VAL126 1947 RESIDUE 1 A VAL 2 127 THR127 1963 RESIDUE 1 A THR 2 128 SER128 1977 RESIDUE 1 A SER 2 129 THR129 1988 RESIDUE 1 A THR 2 130 ARG130 2002 RESIDUE 1 A ARG 2 131 VAL131 2026 RESIDUE 1 A VAL 2 132 TYR132 2042 RESIDUE 1 A TYR 2 133 GLU133 2063 RESIDUE 1 A GLU 2 134 ARG134 2078 RESIDUE 1 A ARG 2 135 ALA135 2102 RESIDUE 1 A ALA 1