NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -21 H 4.8109 8.4293 116.3334 55.3823 30.3751 173.3745 -20 H 4.4308 8.2362 115.0114 55.4609 29.2081 173.2635 -19 H 4.2486 7.7741 121.2845 55.8924 30.3752 174.7688 -18 H 4.9840 8.0872 121.1434 54.4161 31.4140 172.1299 -17 H 4.9497 8.5733 117.4584 54.4016 30.6876 174.1237 -16 H 4.7979 8.9052 121.3920 54.8411 29.6782 175.8071 -15 S 4.4769 8.5142 119.3901 57.9664 63.4968 174.3602 -14 S 4.3931 8.3115 116.8099 59.7935 63.3116 174.4785 -13 G 3.8743 9.8115 110.7241 46.1576 0.0000 174.0608 -12 V 4.0324 7.8486 117.9971 63.6792 33.1028 176.2236 -11 D 4.5297 7.5482 120.2325 51.7538 43.8785 175.4625 -10 L 4.1417 8.6457 128.1894 57.4508 41.7105 179.5121 -9 G 3.6206 8.0352 105.5847 48.3053 0.0000 175.9244 -8 T 3.6790 7.8435 117.8722 65.9980 68.4898 176.6089 -7 E 3.9049 7.9113 120.3586 59.2597 29.4232 178.7779 -6 N 4.4534 8.1917 117.1361 56.6350 38.8132 176.3514 -5 L 3.8891 7.6690 120.4690 58.7672 42.1941 178.4649 -4 Y 4.5053 7.7702 115.0415 60.6977 37.8028 177.7185 -3 F 4.9445 8.1858 123.2746 60.3343 41.2386 176.9643 -2 Q 4.3474 8.3355 115.4029 53.5047 28.8250 176.6616 -1 S 3.9368 7.6368 112.8448 57.3206 64.0025 174.0690 0 M 4.6582 7.3833 119.0276 54.6740 34.8286 173.5661 *1019 K 4.4131 8.2281 124.5351 56.4175 32.1310 173.0603 1020 L 4.6077 8.0388 125.3851 53.9031 43.4184 175.2860 1021 I 4.5647 8.7648 126.9841 59.2883 40.6168 175.3093 1022 R 4.4122 8.6196 126.0512 56.0626 30.9818 178.3051 1023 V 3.6921 8.9565 117.2182 64.5356 31.3301 178.7559 1024 E 4.0773 8.3213 116.0685 58.9115 29.4375 177.8662 1025 N 4.8686 8.1249 115.0456 53.0968 39.1730 176.4459 1026 F 4.2397 8.3290 124.2788 61.2271 39.5103 176.9710 1027 E 4.0781 8.4084 117.7249 59.3900 29.2053 179.0324 1028 A 4.0347 8.0032 120.3963 55.2445 18.5378 178.9341 1029 Y 3.9095 8.0509 118.1888 60.5827 38.8476 177.8298 1030 F 3.5747 8.4111 122.0848 60.8885 39.4150 176.7548 1031 K 3.8864 8.1087 119.3436 59.6145 31.7014 178.5341 1032 K 3.7362 7.3099 118.2250 59.5845 31.9472 178.5009 1033 Q 3.4461 7.2616 118.0245 57.5803 28.4089 177.7188 1034 Q 4.2561 7.6331 118.9456 55.6324 29.4310 175.9128 1035 A 4.1272 6.7430 124.1374 53.5457 19.4812 176.3676 1036 D 4.2344 9.1781 120.8153 57.0574 38.3862 175.1856 1037 S 3.6545 8.3824 112.1381 60.0976 60.0554 173.7267 1038 N 4.3994 8.2017 113.4563 54.5824 37.2665 177.1690 1039 C 4.2423 8.1376 119.2410 62.6403 32.0376 174.4702 1040 G 3.4718 7.6492 108.0228 47.3448 0.0000 175.5617 1041 F 4.7329 7.7057 120.0733 60.2493 38.8973 177.6932 1042 A 4.1185 8.3593 120.5575 54.7877 18.0972 179.3223 1043 E 3.9572 8.1056 117.9875 59.2784 29.5915 178.4626 1044 E 4.1202 7.9752 117.2858 59.9136 29.8823 178.5716 1045 Y 3.6596 8.2157 119.4156 60.5065 38.6844 177.6503 1046 E 4.0190 8.3848 119.5586 59.1604 29.3453 178.8221 1047 D 4.5013 8.0824 118.0503 56.5445 41.3001 177.7896 1048 L 4.0942 7.4759 118.5293 55.5557 41.5902 178.8367 1049 K 3.8275 7.4764 118.8952 59.0539 32.3139 177.5663 1050 L 4.3922 7.4273 117.2775 54.0140 42.1596 175.7537 1051 V 3.6001 7.2270 120.3493 63.7730 31.6112 176.2792 1052 G 3.7521 8.7965 116.3577 45.2417 0.0000 174.2909 1053 I 4.3169 7.1304 109.7385 61.0934 38.0088 176.6431 1054 S 4.3759 7.6631 114.7788 58.9186 63.5241 174.3489 1055 Q 4.1031 7.1075 121.1687 54.6584 29.3388 174.2408 1056 P 4.2943 0.0000 0.0000 62.9978 32.2352 176.7194 1057 K 5.1089 7.6206 117.6297 54.8182 32.7234 177.4851 1058 Y 4.1741 8.3538 118.9863 62.2240 38.0733 178.0840 1059 A 4.0256 8.4900 121.3132 55.2147 18.3151 179.5896 1060 A 3.7265 7.6462 116.7603 54.5416 18.5218 178.6777 1061 E 4.3010 7.5124 114.0877 55.4016 30.6361 176.6549 1062 L 4.0437 7.2707 120.6032 54.4102 42.3904 178.0420 1063 A 4.0012 8.7256 124.6341 55.5081 18.0405 179.9050 1064 E 3.9383 8.1412 115.6118 58.7682 29.9369 178.0154 1065 N 4.6381 7.7522 114.6309 52.9141 38.7552 176.7729 1066 R 3.9294 7.6251 122.6087 59.3486 30.0778 178.2119 1067 G 3.8231 7.9752 103.8423 46.8819 0.0000 173.6130 1068 K 4.4281 7.8450 118.1205 56.1107 33.1301 175.7731 1069 N 4.9430 7.6036 117.5698 51.1649 40.1511 174.9816 1070 R 3.7568 8.9805 124.2165 58.6511 30.1465 176.2953 1071 Y 4.8462 7.4612 114.5291 55.9189 40.6713 175.9792 1072 N 4.6284 8.9417 120.2881 54.1812 37.8564 175.0996 1073 N 4.8665 8.1575 114.8648 52.3916 37.9074 174.6342 1074 V 4.1851 7.5752 118.9598 61.0677 31.5723 173.9177 1075 L 4.8268 7.8562 125.0561 51.5077 44.5828 174.9828 1076 P 4.4047 0.0000 0.0000 61.6718 32.0803 175.9337 1077 Y 4.5856 7.8460 119.2818 58.0972 38.8961 176.8623 1078 D 4.3852 9.1348 124.0620 57.6499 41.2250 179.0657 1079 I 3.8710 8.0202 117.9010 63.1695 38.3022 176.2018 1080 S 4.8757 7.7954 112.2748 57.5397 63.7901 174.1788 1081 R 4.3324 7.4938 116.9222 56.1751 29.7415 176.4082 1082 V 3.6855 7.8163 120.7808 62.7127 31.8584 175.3008 1083 K 4.6838 8.6791 128.0283 55.0350 33.3364 176.5836 1084 L 4.7520 8.6253 125.8372 53.2106 43.9477 176.6280 1085 S 4.3448 8.9627 115.7024 58.2084 63.7809 173.6599 1086 V 4.4877 8.1077 120.1615 61.1813 33.6144 173.6687 1087 Q 4.5306 8.8447 121.3764 57.6455 30.7268 176.2508 1088 T 4.3652 8.9685 114.8014 63.9081 70.1615 174.2673 1089 H 5.0689 7.8966 118.5797 53.0131 33.6893 173.4716 1090 S 4.1033 8.0863 117.5031 61.9843 62.3771 176.3504 1091 T 4.1702 7.7993 111.0170 63.1379 68.4976 175.7264 1092 D 4.5204 8.0321 122.2111 57.2741 41.0441 177.5996 1093 D 4.6959 8.2614 120.1736 53.5740 39.5184 175.1121 1094 Y 4.5414 7.4105 122.4985 56.6476 39.6822 174.2493 1095 I 4.2702 6.9189 125.5191 59.0677 41.1907 174.7606 1096 N 4.5120 8.2225 125.2181 52.9284 37.8428 172.8075 1097 A 4.8505 7.5396 123.5204 50.5210 23.1425 174.5153 1098 N 5.3055 8.9452 116.8027 51.4990 43.4848 173.6056 1099 Y 4.5353 9.0429 121.1179 58.3623 38.8842 175.0858 1100 M 4.8594 9.0823 123.9346 52.6670 35.1303 173.8114 1101 P 4.8148 0.0000 0.0000 62.9896 32.3392 176.4948 1102 G 4.7306 8.5076 112.7445 44.4511 0.0000 172.1077 1103 Y 4.1025 8.8903 119.1843 60.4200 39.0384 177.5353 1104 H 4.4114 8.0055 115.3613 57.0667 29.7426 174.6899 1105 S 4.5085 7.4506 111.8360 57.3435 65.6546 175.9169 1106 K 4.0663 8.5417 119.5115 58.2231 31.9731 178.1166 1107 K 4.7044 7.1217 117.1560 56.0138 32.8544 177.3815 1108 D 4.3992 8.3229 121.2326 56.6450 41.9894 176.6291 1109 F 5.4773 8.5617 115.3808 55.6063 43.5314 174.3366 1110 I 4.9015 8.8289 121.5647 59.6206 39.6868 174.4584 1111 A 5.0262 8.9004 129.7681 50.9641 20.7031 175.8560 1112 T 5.0782 8.5884 116.6030 60.2349 71.6488 172.9658 1113 Q 4.6025 8.1733 122.1283 55.4669 29.6972 176.2309 1114 G 3.6521 8.4833 108.8740 45.5387 0.0000 171.9452 1115 P 4.1885 0.0000 0.0000 62.3597 32.1616 176.1894 1116 L 4.3141 8.1638 120.3710 53.2536 42.6865 176.3402 1117 P 4.2477 0.0000 0.0000 65.6847 31.1991 177.4196 1118 N 4.7210 8.0456 112.2718 53.3036 37.8708 175.1694 1119 T 4.7230 7.5999 108.0252 61.1269 70.0220 175.4681 1120 L 3.8674 8.0815 125.2028 58.6278 42.0979 178.8920 1121 K 4.2843 8.1983 117.8754 59.6512 31.9832 178.9219 1122 D 4.4162 8.1500 118.7211 57.2284 40.8176 178.3270 1123 F 3.8902 8.4622 121.4108 61.2542 39.3028 177.3351 1124 W 4.2471 8.1542 117.8860 59.4740 28.7132 178.8295 1125 R 4.1012 8.3540 118.4181 59.4379 29.5157 178.5811 1126 M 3.9441 8.1920 118.0421 58.6639 32.2562 178.0753 1127 V 3.4585 7.5045 118.3416 66.2310 31.5660 177.4593 1128 W 4.2064 8.6326 127.9910 60.5995 30.4445 177.7671 1129 E 3.9653 9.2685 119.3991 58.5709 29.0350 178.6906 1130 K 4.3592 7.8511 115.9439 54.7790 33.0862 175.9634 1131 N 3.9243 7.8527 115.4473 54.0814 36.5302 175.1522 1132 V 3.8768 7.8046 119.4206 63.8385 32.4678 175.3557 *1133 Y 4.7097 8.6034 125.9326 57.3287 40.0690 171.9548 1134 A 5.3758 8.0395 119.1026 50.5921 22.5049 174.9614 1135 I 5.0595 8.9966 123.0025 59.5305 40.5790 174.7006 1136 I 5.0789 9.4132 127.8383 59.8125 39.8398 174.0933 1137 M 4.8094 9.3243 127.8796 53.5802 34.6256 174.1655 1138 L 5.4029 8.3809 126.6977 53.3015 43.9972 175.9347 1139 T 4.7427 8.8225 112.9343 60.0631 73.0782 173.4978 1140 K 5.2455 8.1288 119.8425 55.0839 32.9507 175.4912 *1151 E 2.8050 8.1836 115.0561 55.6019 30.2181 175.4167 1152 Y 4.6766 7.0795 118.5158 56.1148 38.6623 175.0525 1153 W 5.1672 6.6773 116.5227 54.0396 31.1588 173.1400 1154 P 4.8108 0.0000 0.0000 62.4955 32.1314 175.8237 1155 S 4.6323 8.6751 113.3596 60.6881 65.2915 176.4091 1156 K 4.1466 8.2189 121.3499 56.3840 31.7346 178.3440 1157 Q 4.6156 7.5103 113.8487 53.6911 31.8938 173.8547 1158 A 4.4305 8.4636 119.5553 52.3796 19.0517 177.0666 1159 Q 4.4654 8.7612 120.1324 53.9787 32.3188 174.5249 1160 D 4.8547 8.3118 122.9410 53.7945 42.2280 176.1871 1161 Y 4.5174 8.9686 121.5444 56.5435 39.6382 176.8389 1162 G 4.0894 8.1336 118.0545 47.0044 0.0000 172.0983 1163 D 4.6852 8.7302 125.1995 53.7151 41.0361 174.7198 1164 I 4.6317 7.4088 121.6409 59.7884 39.8568 174.5769 1165 T 4.9187 8.6303 123.9136 61.9927 70.6677 173.7138 1166 V 4.8230 8.7549 126.3750 60.9617 34.2712 174.1411 1167 A 5.1377 8.6035 127.9790 50.3229 22.3025 174.6561 1168 M 4.6880 9.0481 122.8407 55.5885 32.7593 175.8347 1169 T 4.5863 8.6079 114.6940 61.7113 70.9608 173.9134 1170 S 4.5411 7.2986 114.7217 57.3940 65.9250 173.3232 1171 E 4.8232 8.6610 126.1696 54.7696 32.3313 174.3411 1172 I 4.3796 8.8844 129.1554 59.5847 39.6395 174.9315 1173 V 4.3190 8.3821 128.0010 61.6549 30.9409 175.1783 1174 L 4.7386 8.4456 127.1573 51.9075 44.7681 175.9287 1175 P 4.1299 0.0000 0.0000 66.2682 31.3882 178.6438 1176 E 3.8766 7.1313 112.9965 56.7238 30.5147 177.1146 1177 W 5.5211 6.6234 112.4740 56.0977 32.0900 173.8770 1178 T 5.2586 9.3242 117.8295 61.9204 71.7175 173.2768 1179 I 4.7832 8.6886 125.5519 59.6798 40.0485 174.6775 1180 R 4.8093 8.7297 126.6108 54.2439 33.2402 174.6637 1181 D 5.2481 8.3952 122.9980 52.7031 43.8182 175.4820 1182 F 5.5678 9.4738 120.4562 56.1231 44.3438 173.4159 1183 T 5.1373 9.0468 110.0424 60.0858 71.6699 173.5731 1184 V 4.7088 9.0780 124.0062 61.1813 34.4895 173.9857 1185 K 4.8930 8.7109 129.7579 54.1366 35.0974 174.3976 1186 N 3.9749 7.8603 129.3312 54.1989 38.8917 176.1361 1187 I 3.4650 8.7495 128.2588 63.7223 35.6787 174.5541 1188 Q 4.0641 8.3030 119.8781 58.8812 28.6844 177.1812 1189 T 4.2710 7.8472 105.2673 61.1136 69.8626 175.8188 1190 S 4.0963 8.6546 117.3605 58.2238 61.6608 168.9258 1191 E 4.3308 7.7029 122.8200 56.0522 30.4758 175.1951 1192 S 5.4561 8.9132 121.2618 56.9157 65.0064 172.5087 1193 H 5.3601 9.4328 123.8440 53.2425 31.9043 172.0286 1194 P 5.1139 0.0000 0.0000 63.1552 32.7886 175.2132 1195 L 4.8566 8.5968 120.7602 54.0798 46.1277 173.7850 1196 R 4.9725 9.2719 126.4832 54.4623 33.1627 173.6636 1197 Q 5.0535 9.3192 127.7019 54.2881 32.0127 173.8837 1198 F 5.1383 9.5594 125.5031 56.1853 41.6771 174.0564 1199 H 5.4095 9.7957 125.6990 54.3330 32.0131 172.6976 1200 F 4.6414 9.1702 130.3996 57.9787 39.5686 175.7525 1201 T 4.4966 8.0581 115.9498 61.5036 70.1391 174.5349 1202 S 4.9929 7.3974 116.0155 56.7164 62.1447 173.3454 1203 W 4.8164 9.0925 131.4925 55.6732 32.0168 174.5217 1204 P 4.5014 0.0000 0.0000 62.0711 31.6187 175.8360 1205 D 4.4532 8.4408 121.3414 55.8144 41.5897 176.2707 1206 H 4.3792 8.8565 121.2172 56.1777 26.9708 174.6513 1207 G 4.5512 7.9160 109.2053 44.0725 0.0000 172.8689 1208 V 4.1574 7.8450 111.0287 58.4713 35.2274 173.4286 1209 P 4.2108 0.0000 0.0000 62.4462 31.7340 177.4859 1210 D 4.4776 8.6397 119.9928 57.1278 40.1956 176.8357 1211 T 4.8983 7.4408 104.4525 59.0005 72.2503 174.9119 1212 T 4.1033 8.4520 112.7118 64.8365 68.7799 176.2327 1213 D 4.4361 8.2483 121.2970 57.4420 40.8441 178.7889 1214 L 4.3572 7.8948 119.0734 57.8669 41.6526 179.4502 1215 L 3.9229 7.5496 120.5286 58.1662 42.1085 179.0191 1216 I 3.7152 7.9909 119.8295 64.6689 37.0417 178.3123 1217 N 4.5759 9.0574 117.8140 56.1066 38.2754 177.3549 1218 F 3.2055 8.5003 122.2113 60.9556 39.5197 176.9929 1219 R 3.8104 8.2685 118.3917 59.9004 29.7466 178.1366 1220 Y 3.9214 7.9857 116.2690 60.5928 37.8063 178.1186 1221 L 3.9399 7.9478 121.6691 58.0638 41.9963 179.0983 1222 V 2.0620 7.1926 118.2721 65.7994 31.1145 178.2993 1223 R 3.8729 7.5972 116.2817 59.1050 29.9492 178.2120 1224 D 4.4640 8.3373 117.1050 56.2642 41.3498 176.7645 1225 Y 4.4993 7.6154 114.4585 59.5717 39.1471 177.2383 1226 M 4.5236 8.0816 126.7145 55.8938 32.5475 177.0649 *1232 E 4.3338 8.7134 115.6794 56.1927 32.2205 172.9887 1233 S 4.7894 7.6616 114.0533 55.9463 64.6666 172.2391 1234 P 4.6102 0.0000 0.0000 62.5613 32.3078 175.7616 1235 I 4.2221 8.4941 124.4057 60.3593 38.8134 174.5567 1236 L 4.8608 8.6882 130.0597 54.0145 43.4884 175.1739 1237 V 5.0382 8.9688 127.1502 61.4095 34.2549 173.9934 1238 H 5.7509 9.5750 122.3311 53.5790 32.7306 172.1748 1239 S 4.6979 8.2970 112.7919 57.3382 66.3186 173.9931 1240 S 4.1606 9.0294 113.8243 61.7035 61.1095 175.4978 1241 A 4.5096 8.2576 119.6839 52.2065 19.4195 177.8089 1242 G 3.9008 7.9281 102.5071 46.3805 0.0000 174.1367 1243 V 4.1573 7.6883 110.7232 62.3535 33.8989 178.0877 1244 G 3.5997 7.5467 106.1104 47.7698 0.0000 175.8148 1245 R 3.1482 7.3069 120.0748 58.1174 30.2152 179.2057 1246 T 3.8687 7.6086 115.2755 66.6173 68.4204 176.6884 1247 G 3.5995 8.1573 107.7044 48.0750 0.0000 175.8899 1248 T 4.0090 7.8909 117.9830 66.2455 68.6263 176.3926 1249 F 4.2235 8.5602 122.5967 61.5814 39.5123 177.1567 1250 I 3.0704 7.7053 118.8457 64.0418 36.7553 178.2205 1251 A 3.9444 8.0872 121.6783 55.2973 18.1572 179.5872 1252 I 3.5293 7.5377 116.8728 63.9860 37.9615 177.4876 1253 D 3.9723 7.5187 118.6402 57.3165 40.9956 178.5835 1254 R 4.1220 8.0548 118.4271 59.2969 30.0205 178.9249 1255 L 3.9387 8.1987 119.1550 57.9236 41.5228 179.7625 1256 I 3.5107 7.7980 119.8271 64.4662 36.9347 178.0482 1257 Y 3.8538 7.3047 117.1321 61.0079 37.6072 178.5844 1258 Q 3.8988 7.9489 120.3512 59.1369 28.9336 178.3867 1259 I 3.6448 7.6606 120.0547 64.4430 37.2274 178.0024 1260 E 4.0684 8.1384 118.3602 58.9967 29.3392 178.4211 1261 N 4.6722 8.0305 114.7692 54.5195 39.7161 175.4270 1262 E 4.5053 7.8589 117.9856 55.4475 31.7223 175.0647 1263 N 5.2394 8.3399 116.0085 53.3988 38.6762 173.2653 1264 T 5.2022 7.7381 106.2576 60.1479 73.0070 173.7739 1265 V 4.3499 9.0810 121.3858 61.1715 35.1276 174.6146 1266 D 4.7973 8.2041 125.0475 52.4164 41.1965 175.3799 1267 V 3.7111 8.1873 122.9411 65.8143 32.0839 176.0428 1268 Y 4.4541 8.4397 118.9262 61.1040 38.7079 178.4031 1269 G 3.9593 9.1840 108.1021 48.0273 0.0000 175.7549 1270 I 3.8461 8.0504 122.1058 64.2226 37.1011 178.6824 1271 V 3.6295 8.0970 119.2210 65.9216 31.4747 177.0501 1272 Y 3.7701 8.1624 119.8352 61.0028 38.2971 177.8991 1273 D 4.5245 8.0473 117.0431 57.3435 41.5403 177.8136 1274 L 4.2251 8.1629 119.4474 58.1789 40.1365 179.8061 1275 R 4.4057 8.1300 119.1948 58.9424 29.7144 178.8019 1276 M 3.9436 7.8969 116.9163 57.3726 31.9680 176.5737 1277 H 4.9699 8.1735 114.4165 55.7754 31.2271 174.0966 1278 R 4.4543 7.5225 117.3103 54.0355 32.8540 172.4359 1279 P 4.4757 0.0000 0.0000 63.9158 31.8849 176.8505 1280 L 3.7134 8.6481 117.3791 55.3496 39.3554 174.3213 1281 M 4.0941 7.5183 118.5990 56.5372 31.9865 174.4160 1282 V 3.3950 8.3395 127.2310 63.2227 29.0436 170.8123 1283 Q 4.5405 9.6234 126.1747 55.8277 29.7594 175.9960 1284 T 4.7280 7.6571 107.2163 59.2160 73.2014 174.2055 1285 E 2.7775 8.1123 121.5448 59.0815 29.6474 178.6972 1286 D 4.4384 7.8876 118.6585 57.3317 40.9430 178.5377 1287 Q 4.1948 8.0019 118.2862 58.9404 28.5604 178.1707 1288 Y 4.0401 7.7712 120.7001 60.7133 38.9269 177.9350 1289 V 3.1600 8.2316 119.6577 65.9029 31.5142 177.5918 1290 F 4.3302 8.5679 121.9961 60.8152 39.2019 177.0332 1291 L 3.9299 8.1098 118.4636 57.8792 41.2786 179.3313 1292 N 4.5423 7.6237 116.5755 56.1783 37.9312 177.6108 1293 Q 3.8249 8.2482 119.5580 58.9973 28.8364 178.1225 1294 C 3.6869 7.8039 118.2227 63.0810 28.1114 176.6432 1295 V 3.3678 7.5319 119.2162 65.7296 31.0160 177.6980 1296 L 4.0181 8.0946 120.1934 58.4062 41.9442 178.8109 1297 D 4.3494 8.1102 118.8077 57.2365 40.5813 178.8148 1298 I 3.6628 7.7352 120.4162 64.2546 37.2466 178.6821 1299 V 3.5293 7.9637 119.3384 66.1652 31.1998 178.3590 1300 R 4.0450 8.2599 117.0992 58.9412 29.9080 178.6226 1301 S 4.3889 7.7481 112.6952 60.1965 63.5484 175.7193 1302 Q 4.2692 7.7954 121.8814 57.1271 28.9544 176.7172 1303 K 4.1137 6.9319 121.5067 54.1031 32.6031 181.5365 *1308 D 4.4414 8.2707 115.7083 55.2425 41.3301 176.0249 1309 L 4.2079 8.4817 124.7479 54.5756 42.4105 176.5162 1310 I 4.4410 8.0902 123.4245 59.8345 39.0389 175.1676 1311 Y 4.2481 8.5594 124.0299 57.8569 38.6560 174.9644 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -21 H 8.43 4.81 0.00 3.29 3.53 0.00 5.48 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -20 H 8.24 4.43 0.00 3.43 3.46 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -19 H 7.77 4.25 0.00 2.97 3.22 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -18 H 8.09 4.98 0.00 3.22 3.20 0.00 5.54 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -17 H 8.57 4.95 0.00 3.08 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -16 H 8.91 4.80 0.00 3.38 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -15 S 8.51 4.48 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -14 S 8.31 4.39 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -13 G 9.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -12 V 7.85 4.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 -11 D 7.55 4.53 0.00 2.61 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -10 L 8.65 4.14 0.00 1.71 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 -9 G 8.04 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 T 7.84 3.68 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -7 E 7.91 3.90 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 -6 N 8.19 4.45 0.00 2.87 3.07 0.00 0.00 6.85 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 L 7.67 3.89 0.00 1.79 1.75 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 7.77 4.51 0.00 3.21 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 F 8.19 4.94 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 Q 8.34 4.35 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 -1 S 7.64 3.94 0.00 2.72 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 M 7.38 4.66 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 *1019 K 8.23 4.41 0.00 1.61 1.83 0.00 1.44 0.00 0.00 0.68 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.29 7.81 1020 L 8.04 4.61 0.00 1.70 1.54 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1021 I 8.76 4.56 1.94 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.22 0.84 0.00 0.00 1022 R 8.62 4.41 0.00 1.79 1.87 0.00 3.13 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 1023 V 8.96 3.69 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 1024 E 8.32 4.08 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 1025 N 8.12 4.87 0.00 2.91 2.91 0.00 0.00 6.52 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1026 F 8.33 4.24 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1027 E 8.41 4.08 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 1028 A 8.00 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 Y 8.05 3.91 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1030 F 8.41 3.57 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1031 K 8.11 3.89 0.00 2.05 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 1032 K 7.31 3.74 0.00 1.58 1.66 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.37 7.81 1033 Q 7.26 3.45 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.54 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 1034 Q 7.63 4.26 0.00 2.31 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 1035 A 6.74 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1036 D 9.18 4.23 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 S 8.38 3.65 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1038 N 8.20 4.40 0.00 2.97 3.09 0.00 0.00 6.71 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1039 C 8.14 4.24 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1040 G 7.65 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 F 7.71 4.73 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 A 8.36 4.12 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1043 E 8.11 3.96 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 1044 E 7.98 4.12 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 1045 Y 8.22 3.66 0.00 2.77 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1046 E 8.38 4.02 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 1047 D 8.08 4.50 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1048 L 7.48 4.09 0.00 1.36 1.30 0.62 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1049 K 7.48 3.83 0.00 2.01 1.77 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.35 7.81 1050 L 7.43 4.39 0.00 1.66 1.65 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 1051 V 7.23 3.60 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.49 0.00 0.00 1052 G 8.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1053 I 7.13 4.32 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.52 0.97 0.00 0.00 1054 S 7.66 4.38 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1055 Q 7.11 4.10 0.00 1.21 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 1056 P 0.00 4.29 0.00 2.41 2.13 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 1057 K 7.62 5.11 0.00 1.99 2.11 0.00 1.48 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.39 7.81 1058 Y 8.35 4.17 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1059 A 8.49 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1060 A 7.65 3.73 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 E 7.51 4.30 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 1062 L 7.27 4.04 0.00 1.66 1.74 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1063 A 8.73 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1064 E 8.14 3.94 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 1065 N 7.75 4.64 0.00 2.37 1.85 0.00 0.00 6.50 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1066 R 7.63 3.93 0.00 1.79 1.98 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 1067 G 7.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1068 K 7.85 4.43 0.00 2.14 2.05 0.00 2.01 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 1069 N 7.60 4.94 0.00 2.65 2.92 0.00 0.00 6.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1070 R 8.98 3.76 0.00 1.50 1.53 0.00 3.17 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 1071 Y 7.46 4.85 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1072 N 8.94 4.63 0.00 2.82 2.95 0.00 0.00 5.90 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1073 N 8.16 4.87 0.00 2.79 2.90 0.00 0.00 5.81 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1074 V 7.58 4.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.86 0.00 0.00 1075 L 7.86 4.83 0.00 1.56 1.50 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 1076 P 0.00 4.40 0.00 2.15 2.02 0.00 3.51 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.89 0.00 1077 Y 7.85 4.59 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1078 D 9.13 4.39 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1079 I 8.02 3.87 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 0.99 0.00 0.00 1080 S 7.80 4.88 0.00 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1081 R 7.49 4.33 0.00 2.03 2.18 0.00 3.17 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 1082 V 7.82 3.69 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.14 0.00 0.00 1083 K 8.68 4.68 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.67 7.81 1084 L 8.63 4.75 0.00 1.61 1.61 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 1085 S 8.96 4.34 0.00 4.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1086 V 8.11 4.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 1087 Q 8.84 4.53 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 1088 T 8.97 4.37 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1089 H 7.90 5.07 0.00 3.15 3.12 0.00 5.89 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1090 S 8.09 4.10 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1091 T 7.80 4.17 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 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0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1193 H 9.43 5.36 0.00 3.21 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1194 P 0.00 5.11 0.00 2.12 2.12 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 1195 L 8.60 4.86 0.00 1.97 1.93 1.31 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 1196 R 9.27 4.97 0.00 1.84 1.70 0.00 3.36 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 1197 Q 9.32 5.05 0.00 2.31 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 1198 F 9.56 5.14 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1199 H 9.80 5.41 0.00 3.11 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1200 F 9.17 4.64 0.00 1.91 2.69 0.00 0.00 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0.00 0.00 1271 V 8.10 3.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.23 0.00 0.00 1272 Y 8.16 3.77 0.00 2.90 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1273 D 8.05 4.52 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1274 L 8.16 4.23 0.00 1.93 1.74 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 1275 R 8.13 4.41 0.00 1.76 2.05 0.00 3.20 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 1276 M 7.90 3.94 0.00 1.88 2.27 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.81 0.00 1277 H 8.17 4.97 0.00 3.27 3.61 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1278 R 7.52 4.45 0.00 1.84 1.72 0.00 3.16 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 1279 P 0.00 4.48 0.00 2.16 2.03 0.00 3.48 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 1280 L 8.65 3.71 0.00 1.86 1.80 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 1281 M 7.52 4.09 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 1282 V 8.34 3.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.06 0.00 0.00 1283 Q 9.62 4.54 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 1284 T 7.66 4.73 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1285 E 8.11 2.78 0.00 1.68 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 1286 D 7.89 4.44 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1287 Q 8.00 4.19 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 1288 Y 7.77 4.04 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1289 V 8.23 3.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 1290 F 8.57 4.33 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1291 L 8.11 3.93 0.00 1.76 1.59 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1292 N 7.62 4.54 0.00 2.38 2.95 0.00 0.00 6.98 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1293 Q 8.25 3.82 0.00 1.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 1294 C 7.80 3.69 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1295 V 7.53 3.37 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.75 0.00 0.00 1296 L 8.09 4.02 0.00 1.50 1.47 0.84 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 1297 D 8.11 4.35 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1298 I 7.74 3.66 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.85 0.00 0.00 1299 V 7.96 3.53 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.77 0.00 0.00 1300 R 8.26 4.05 0.00 1.78 1.95 0.00 3.12 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 1301 S 7.75 4.39 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1302 Q 7.80 4.27 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 1303 K 6.93 4.11 0.00 1.89 1.66 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.28 7.81 *1308 D 8.27 4.44 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1309 L 8.48 4.21 0.00 1.65 1.64 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 1310 I 8.09 4.44 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.94 0.00 0.00 1311 Y 8.56 4.25 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.