NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.3108 8.3044 120.3520 55.2909 33.5330 175.0362 1002 E 4.3693 8.4095 125.6109 53.4523 31.7675 174.5825 1003 R 3.8058 9.4006 127.4668 59.8147 30.6065 177.5816 1004 Y 3.7978 7.9603 115.2713 61.2065 38.0131 178.3431 1005 E 4.1391 9.0523 120.0770 59.6231 29.5919 178.9003 1006 S 4.1084 8.1953 112.9194 61.1526 62.5221 175.7513 1007 L 3.8533 8.4770 123.4245 58.3975 41.8891 178.9397 1008 F 4.6049 8.5496 117.6627 60.6945 38.6401 177.6439 1009 A 4.1054 8.0913 120.0339 55.3210 18.0921 179.7561 1010 Q 4.0170 8.0145 116.5789 58.8356 28.6646 179.0226 1011 L 4.1302 8.0150 120.0600 57.8614 41.4322 179.6597 1012 K 3.9949 8.2786 118.2534 59.2760 31.6682 178.9450 1013 E 4.0748 7.9582 119.0244 58.2328 29.5461 177.8734 1014 R 4.4458 7.2565 114.5549 54.3421 31.0223 176.3902 1015 K 3.8299 7.5198 117.2940 57.8524 30.3052 173.5497 1016 E 5.0865 8.3812 117.2958 54.4497 33.0954 175.5335 1017 G 4.3317 9.1728 111.2914 43.8454 0.0000 172.4008 1018 A 5.0402 8.8336 122.1020 50.4094 21.3223 176.0410 1019 F 5.0993 10.2400 126.0095 56.6763 41.6064 174.6802 1020 V 4.1144 8.5671 128.2869 60.1192 32.4971 173.1730 1021 P 4.7443 0.0000 0.0000 62.3585 32.9586 174.8357 1022 F 5.7092 9.2237 122.9192 55.6021 42.2426 174.4991 1023 V 4.2792 6.7534 122.6766 60.4904 34.4751 173.1795 1024 T 4.2079 8.1516 119.8247 62.6315 69.8979 173.9128 1025 L 3.9650 8.3548 129.3291 56.7664 42.2630 176.8113 1026 G 4.0118 9.1305 115.0342 45.2210 0.0000 172.1564 1027 D 4.9177 7.3282 118.2176 51.7899 42.5037 175.0017 1028 P 4.4122 0.0000 0.0000 64.5773 32.0704 176.5275 1029 G 4.2158 7.5389 103.1962 41.9109 0.0000 173.5179 1030 I 3.6435 8.2725 120.5610 64.3411 36.7160 178.1554 1031 E 3.9031 8.1466 119.2942 59.5538 29.5064 178.7622 1032 Q 3.9759 7.9637 117.3058 59.0583 28.8858 178.3349 1033 S 4.1077 8.5658 114.4326 61.6524 62.3050 176.3752 1034 L 4.0185 7.8141 120.9770 57.6385 41.3946 179.5866 1035 K 4.0948 7.7793 118.4331 59.0498 31.9373 179.4906 1036 I 3.7756 8.3191 114.1114 63.9869 37.5838 178.4711 1037 I 3.6921 7.7777 121.6444 64.1259 36.9012 178.0939 1038 D 4.3494 8.1402 119.8123 57.5909 40.5546 179.0115 1039 T 3.8450 7.8497 116.0194 66.6343 68.5135 176.4356 1040 L 4.0064 8.2194 121.2792 58.1492 41.5460 179.9277 1041 I 3.6881 7.6575 119.2144 64.4062 36.8736 178.0664 1042 E 3.9248 8.3918 119.0043 59.3170 29.4453 178.4624 1043 A 4.2698 8.5843 121.0496 53.2196 18.5265 177.7675 1044 G 4.0475 7.1807 114.4559 45.5150 0.0000 172.8174 1045 A 4.3447 7.6503 125.2133 52.5046 18.6730 177.9877 1046 D 4.4867 8.5875 122.9514 56.3068 41.4566 176.2900 1047 A 4.6646 7.4257 117.8811 50.6260 22.5879 175.2627 1048 L 4.6329 8.7729 119.0391 52.8914 45.2049 175.9013 1049 E 5.0053 8.5892 123.1760 54.6668 32.0492 173.9778 1050 L 4.7434 9.0434 128.2499 52.9031 44.0902 176.0535 1051 G 4.2107 8.2063 111.2722 45.1270 0.0000 172.5247 1052 I 4.7309 8.1345 125.9273 58.7269 38.4802 174.3098 1053 P 4.6019 0.0000 0.0000 62.3409 32.3982 174.3039 1054 F 5.0815 8.1904 119.2863 58.9327 43.0310 174.0952 1055 S 4.0747 6.1654 124.2367 58.2700 68.8302 177.3085 *1067 A 4.3994 8.9179 133.4666 52.6246 19.2374 176.8765 1068 T 4.5407 7.2509 102.4874 61.7244 71.4851 173.3581 1069 L 4.9004 7.5168 118.6316 51.8121 46.5187 177.8507 1070 R 3.9152 8.8448 120.1938 59.4655 30.1868 178.3997 1071 A 4.2367 8.1176 119.1212 54.4639 20.1304 177.7255 1072 F 4.4751 8.0287 113.3090 58.3132 37.5965 178.4533 1073 A 3.6524 6.2293 126.4584 52.0170 17.4217 177.2570 1074 A 4.0296 7.9970 130.8903 55.4316 23.0430 177.2052 1075 G 3.9881 9.0296 102.9309 46.8311 0.0000 172.1968 1076 V 4.1546 7.7994 118.8074 61.5449 32.9183 176.5442 1077 T 4.4314 8.1833 117.1173 60.6087 71.2655 173.9163 1078 P 4.2766 0.0000 0.0000 65.8135 31.4290 178.7260 1079 A 4.1378 8.1315 118.9648 55.5386 18.3771 179.5850 1080 Q 4.0208 7.8777 115.5203 59.1848 28.6213 178.8951 1081 C 4.0754 7.9499 117.4466 62.9003 28.2162 176.1956 1082 F 4.0819 8.1611 119.0433 60.0303 38.4562 177.4757 1083 E 4.0075 8.1563 119.4503 59.3281 29.3655 178.6820 1084 M 4.0271 8.1709 118.7788 58.4106 32.0565 178.5213 1085 L 3.9143 8.1535 119.1671 57.8303 41.6957 179.6000 1086 A 3.9892 7.9995 120.4078 55.1622 18.4979 179.6062 1087 L 3.9127 7.8261 117.3931 58.0196 41.6761 179.8735 1088 I 3.7279 8.0938 120.0332 64.2824 36.8247 178.3576 1089 R 3.8165 7.8200 118.2434 59.5104 30.0017 177.7286 1090 Q 4.0858 7.9451 117.9591 59.4813 29.0848 178.5228 1091 K 4.2186 7.7491 117.1393 57.8671 32.9216 177.1478 1092 H 4.8548 7.9331 116.0792 52.8293 29.2770 171.9135 1093 P 4.5574 0.0000 0.0000 65.2383 31.7616 177.9532 1094 T 4.1484 7.6515 112.9986 64.6231 69.1623 174.9083 1095 I 3.7414 6.9563 122.9101 59.6669 38.4634 173.6264 1096 P 4.1959 0.0000 0.0000 62.7738 32.3855 175.1229 1097 I 4.7550 9.3117 125.3881 59.4632 40.0813 174.7175 1098 G 4.6713 9.0825 114.4780 44.0806 0.0000 171.7522 1099 L 5.2820 8.9435 123.4391 52.9284 44.8290 175.3547 1100 L 5.1921 8.6485 123.4883 53.8621 45.1479 175.3112 1101 M 4.4768 8.3418 122.4293 55.1778 35.2345 172.6986 1102 Y 5.0163 8.0968 114.9824 56.2632 40.5260 177.0617 1103 A 3.6641 9.7378 124.5309 55.7901 18.2720 179.8516 1104 N 4.2797 8.3032 113.7862 57.0935 38.8700 176.7907 1105 L 3.3269 7.6059 119.8792 57.9789 41.8124 179.4931 1106 V 3.0448 6.9867 116.9511 65.6056 31.7666 177.6308 1107 F 4.6498 7.8375 117.5878 60.5823 38.5796 176.8069 1108 N 4.4407 8.1041 115.9242 55.9920 38.6681 175.6989 1109 K 4.5040 7.5147 115.4145 56.1792 33.3846 174.6247 1110 G 4.1925 8.3205 110.5679 46.8432 0.0000 175.0350 1111 I 3.7827 8.2844 124.3303 64.5430 37.3942 178.3312 1112 D 4.5171 8.1297 118.2184 57.3977 41.2190 177.8736 1113 E 3.9906 8.2085 119.4786 58.7636 29.8033 178.3481 1114 F 3.9772 8.0744 120.6451 61.3135 39.5304 176.9393 1115 Y 3.7770 8.1928 115.9248 60.3984 37.6068 178.0498 1116 A 3.7031 7.6470 121.8211 54.8840 18.6241 179.4307 1117 Q 3.6069 7.6322 117.7569 59.1418 28.8513 178.2664 1118 C 4.1793 7.4268 117.7971 62.4896 27.8526 175.5342 1119 E 3.9676 8.0670 121.0648 59.0238 28.9645 178.8227 1120 K 3.9149 7.8626 119.0777 59.4466 32.3326 178.7300 1121 V 3.8339 7.4647 117.4997 64.8581 31.5035 176.7773 1122 G 4.1746 8.1699 106.0321 45.3069 0.0000 173.9963 1123 V 3.8173 7.5655 112.3164 61.3925 32.2836 175.9308 1124 D 4.9046 9.0139 123.2579 56.0807 41.8075 176.2818 1125 S 5.1892 7.8680 111.1281 57.4914 66.4898 173.7851 1126 V 4.7329 8.7297 120.2792 61.1905 35.4783 173.7417 1127 L 4.5199 8.7334 129.2491 53.2797 44.4106 175.6331 1128 V 3.8650 8.1369 127.7006 61.6322 30.9053 175.0479 1129 A 4.1048 8.5611 131.4830 54.0456 18.5305 178.6170 1130 D 4.7430 7.8545 113.2696 52.7203 39.7410 177.6678 1131 V 4.2569 7.3285 118.2992 61.5346 33.9944 172.4310 1132 P 4.4348 0.0000 0.0000 62.5380 31.8359 177.9194 1133 V 3.6093 8.3749 120.9638 65.9485 31.8056 177.2736 1134 E 4.1484 8.3736 118.5470 58.7868 29.8476 177.5525 1135 E 4.7928 7.7936 117.5203 56.2017 29.4864 176.8695 1136 S 5.0242 7.7926 111.2554 57.8626 64.1808 174.7192 1137 A 3.9005 8.1308 125.6894 55.3898 17.9385 178.0573 1138 P 4.0681 0.0000 0.0000 65.9143 31.0995 178.4459 1139 F 3.9596 8.0137 117.1254 60.1097 39.1056 177.8910 1140 R 3.9241 8.4946 118.1536 59.2572 29.9100 179.0503 1141 Q 3.8641 8.2474 117.8355 59.0607 28.9082 178.9288 1142 A 3.9487 7.5634 121.2338 54.7841 18.2067 179.6770 1143 A 3.8784 7.4521 119.2372 55.3862 18.4805 179.8110 1144 L 3.9017 8.2925 117.8355 58.0353 41.4273 179.8510 1145 R 3.9469 7.9396 117.7243 58.5828 29.9375 176.6790 1146 H 4.9674 7.2848 112.6391 54.5736 29.1675 174.1049 1147 N 4.2538 7.8864 113.5489 54.1898 36.5742 174.1429 1148 V 4.3979 7.9340 117.5348 61.6563 33.3983 175.1000 1149 A 4.6696 8.7510 129.2229 50.1262 20.5215 174.7426 1150 P 4.6545 0.0000 0.0000 62.6796 32.9123 175.3083 1151 I 4.4141 7.7567 124.0938 59.3105 39.7638 175.0085 1152 F 5.0261 8.3576 123.1927 55.7095 43.0702 174.0488 1153 I 4.7248 8.4856 121.8187 60.7345 38.7722 175.1334 1154 C 4.8594 9.5344 126.9817 56.8093 33.7297 171.3685 1155 P 4.9410 0.0000 0.0000 61.7838 32.4693 175.7038 1156 P 4.5012 0.0000 0.0000 64.5351 31.4540 176.9594 1157 N 4.9683 7.8597 115.5889 52.4048 37.6088 174.3415 1158 A 4.1248 7.6851 121.6759 52.6091 19.2504 178.7722 1159 D 4.7333 8.3444 121.9074 52.3603 42.4264 177.0592 1160 D 4.4575 8.6401 118.6217 57.7433 40.8897 177.9425 1161 D 4.2424 7.9069 118.5151 57.4405 40.9312 178.4169 1162 L 3.8686 8.0519 120.0110 58.3189 42.0823 178.9132 1163 L 4.0576 7.8408 118.3274 57.9477 41.6050 179.7552 1164 R 3.6655 7.8863 117.7140 58.7967 29.7861 179.1864 1165 Q 3.2189 7.5014 118.0882 58.6415 28.7739 178.4475 1166 I 3.4877 7.5242 113.7592 64.0658 37.1494 178.0186 1167 A 4.0710 7.6825 121.7930 54.7125 18.3127 179.2604 1168 S 4.3333 7.4804 111.2489 60.8350 63.4491 176.0966 1169 Y 4.6502 8.1026 120.4705 59.8271 38.2557 176.4511 1170 G 4.0408 7.6198 107.3495 45.9350 0.0000 172.2873 1171 R 4.5868 7.8287 117.9537 55.1277 33.6612 173.3545 1172 G 3.8120 9.3020 109.3226 45.3240 0.0000 173.0076 1173 Y 5.1210 6.6971 117.1523 55.4798 41.5608 173.6407 1174 T 4.5594 9.0050 110.9087 60.0109 72.2592 172.6745 1175 Y 4.7765 8.5996 125.5585 57.0911 40.2910 173.9081 1176 L 4.7768 8.5557 130.8026 53.2873 43.2848 175.2558 1177 L 4.5074 8.6643 129.6338 56.0785 42.8861 174.6966 1178 S 4.3572 9.2702 124.3793 59.6973 60.9600 177.3162 1179 R 4.4770 9.3333 124.9491 54.9353 28.8524 175.5524 1180 A 4.2211 7.8346 124.3226 52.2318 20.9137 175.5979 *1189 A 4.1332 7.6446 116.8554 53.5532 19.7457 176.1755 1190 A 5.2526 7.7394 120.9065 52.6959 19.5468 176.4938 1191 L 4.2279 8.1200 121.6887 53.0861 43.0244 175.7680 1192 P 4.4514 0.0000 0.0000 62.2235 32.1125 177.7648 1193 L 4.1114 8.7568 122.1471 58.3749 41.0372 179.6358 1194 N 4.5886 8.1445 117.0629 56.0515 38.3386 176.6848 1195 H 4.0006 8.6703 119.9632 58.9427 29.9183 177.3913 1196 L 3.9957 7.8520 120.3500 58.0440 41.6465 179.5723 1197 V 3.5665 7.7734 112.0526 64.4150 31.3555 178.6245 1198 A 3.8964 7.4892 120.0967 55.1027 18.2348 179.8753 1199 K 3.5156 7.6085 117.1182 59.2946 31.9433 179.6639 1200 L 3.9571 7.9472 119.4202 57.6718 41.5514 179.4851 1201 K 3.9046 8.0031 119.6147 59.3508 31.8677 178.4917 1202 E 3.9116 7.9661 119.0002 59.0599 29.5763 177.4416 1203 Y 4.7451 7.4316 113.8789 56.8820 38.8965 175.0490 1204 N 4.0842 7.8725 116.1168 54.2965 36.5715 173.6415 1205 A 4.6181 8.1537 118.6800 50.7014 20.6223 178.6913 1206 A 4.2223 8.4538 120.6502 51.1418 19.4881 175.9025 1207 P 4.1437 0.0000 0.0000 62.7911 32.4548 173.6802 1208 P 5.2997 0.0000 0.0000 61.7846 33.7721 174.4078 1209 L 5.1039 8.6238 121.7199 53.0034 45.0502 175.9839 1210 Q 4.8930 8.0781 122.8883 55.2290 29.9318 176.8869 1211 G 4.5208 8.2666 106.3681 44.7848 0.0000 171.5762 1212 F 4.7694 8.4345 122.7020 57.4571 40.8772 174.9451 1213 G 3.4971 8.3994 116.0781 46.0948 0.0000 173.0160 1214 I 4.2359 7.6077 121.1652 59.7784 36.5003 175.2866 1215 S 4.8753 8.5860 117.3224 57.3564 64.1647 173.8091 1216 A 4.7838 7.6247 123.3754 49.0403 22.1865 175.5858 1217 P 4.1498 0.0000 0.0000 66.0323 31.0807 178.7469 1218 D 4.3743 7.9863 118.2189 56.1710 39.4890 178.4359 1219 Q 4.0277 7.9964 119.8175 58.5545 28.8299 178.5626 1220 V 3.6072 7.6735 118.9685 65.7853 31.6765 177.7110 1221 K 3.9780 8.1294 119.1651 59.5193 31.9166 178.5012 1222 A 3.9559 7.8469 120.4518 55.0711 18.3583 179.2427 1223 A 3.9350 7.8360 118.8124 55.6724 18.4688 180.0364 1224 I 3.9806 7.5921 119.1106 64.0891 36.9177 178.4882 1225 D 4.3800 8.1355 118.8545 57.0730 40.4909 178.1129 1226 A 4.1814 8.2937 120.5073 52.9643 18.1488 178.6622 1227 G 3.9405 8.0411 104.7771 44.9099 0.0000 174.4048 1228 A 4.0495 7.9220 122.6886 52.5979 18.9841 177.7540 1229 A 4.3621 8.6445 120.9216 52.9896 20.6296 177.2164 1230 G 4.4576 7.2877 100.8567 46.2531 0.0000 171.9594 1231 A 5.3149 8.8234 120.6474 50.1346 22.8905 175.2513 1232 I 5.4586 8.3441 119.9202 58.7791 40.2031 175.6081 1233 S 4.4682 8.6147 120.9574 57.1418 66.6670 172.9244 1234 G 4.1035 8.8747 110.4490 46.3439 0.0000 174.7540 1235 S 4.0687 8.1733 115.0860 61.1545 62.6203 176.9553 1236 A 3.8071 8.0838 122.3012 55.2396 17.9887 179.4474 1237 I 3.3246 7.7967 118.0866 63.8022 37.3355 178.6915 1238 V 3.5515 7.5532 118.7175 65.9198 31.5197 177.7230 1239 K 4.0066 8.1133 118.4554 59.9904 31.7299 179.2652 1240 I 3.7419 6.9274 117.9027 64.2899 36.9438 178.3381 1241 I 3.8699 7.5085 120.6091 64.1960 36.7818 177.9830 1242 E 4.2585 8.1085 116.3967 58.2835 29.8874 177.9141 1243 Q 4.3789 7.9670 117.3568 56.8204 29.2724 175.8543 1244 H 4.9101 7.9065 116.2593 55.2225 30.6959 175.2218 1245 I 3.6713 8.2948 122.5898 63.5909 37.9365 176.0173 1246 N 5.0142 7.6055 116.6535 51.5952 38.0357 175.5975 1247 E 4.8658 8.1425 113.1854 54.6320 33.1570 174.6501 1248 P 4.2228 0.0000 0.0000 66.2183 31.4321 178.0422 1249 E 3.8718 8.1353 118.7072 58.8155 29.6661 178.6065 1250 K 3.9933 8.0077 118.9163 59.2323 32.2921 178.3995 1251 M 3.8888 8.3229 119.3436 58.5921 32.3221 178.2191 1252 L 3.9977 7.9281 118.9484 57.6660 41.8390 179.3921 1253 A 4.0006 7.8480 120.7828 55.1014 18.1870 179.5991 1254 A 4.0040 8.1111 119.2748 54.9810 18.2894 179.9588 1255 L 3.9808 7.9306 117.8626 57.7752 41.7095 179.4837 1256 K 3.9206 7.9521 119.2623 59.6848 31.9679 178.9610 1257 V 3.6232 7.5273 116.8315 65.8284 31.6884 177.3423 1258 F 4.2827 8.0013 120.4496 60.9001 39.3177 177.6815 1259 V 3.3613 8.1959 118.1255 65.6519 31.2756 177.6822 1260 Q 3.8767 7.9072 117.9838 58.7884 28.5675 177.4575 1261 P 4.0971 0.0000 0.0000 65.7174 31.1671 178.4958 1262 M 3.5791 6.6209 115.3643 58.2232 32.0467 178.5251 1263 K 3.9297 7.7642 119.7179 59.2034 32.3312 178.6365 1264 A 3.9305 8.2902 121.4099 54.9876 18.1372 179.0555 1265 A 4.0827 7.8431 117.1273 54.1610 18.4201 178.4697 1266 T 4.1952 7.8318 111.0987 61.6432 67.8601 174.3313 1267 R 4.4257 7.6201 119.7175 56.0025 31.3475 176.6317 1268 S 4.3720 7.9269 115.8313 58.7704 63.1032 174.2203 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 1001 M 8.30 4.31 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 1002 E 8.41 4.37 0.00 2.13 1.85 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 2.35 2.51 0.00 1003 R 9.40 3.81 0.00 1.83 1.62 0.00 3.20 0.00 0.00 3.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 1004 Y 7.96 3.80 0.00 3.44 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1005 E 9.05 4.14 0.00 2.28 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 0.00 2.40 2.45 0.00 1006 S 8.20 4.11 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1007 L 8.48 3.85 0.00 1.55 1.51 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 1008 F 8.55 4.60 0.00 3.37 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 1009 A 8.09 4.11 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 1010 Q 8.01 4.02 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 1011 L 8.02 4.13 0.00 2.01 2.04 1.14 1.02 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 1012 K 8.28 3.99 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.72 7.81 1013 E 7.96 4.07 0.00 2.03 2.16 0.00 0.00 0.00 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 2.36 0.00 1014 R 7.26 4.45 0.00 1.88 1.93 0.00 3.37 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 1015 K 7.52 3.83 0.00 1.91 1.80 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.36 7.81 1016 E 8.38 5.09 0.00 2.11 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 2.23 2.24 0.00 1017 G 9.17 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1018 A 8.83 5.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 1120 K 7.86 3.91 0.00 1.72 1.93 0.00 2.00 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 1121 V 7.46 3.83 2.28 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 0.92 0.00 0.00 1.18 0.00 0.00 1122 G 8.17 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1123 V 7.57 3.82 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 0.73 0.00 0.00 0.95 0.00 0.00 1124 D 9.01 4.90 0.00 2.75 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 1125 S 7.87 5.19 0.00 3.96 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1126 V 8.73 4.73 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 1127 L 8.73 4.52 0.00 1.70 1.58 0.75 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 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7.79 5.02 0.00 4.40 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 0.00 1137 A 8.13 3.90 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 1138 P 0.00 4.07 0.00 2.00 2.26 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 1139 F 8.01 3.96 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1140 R 8.49 3.92 0.00 1.89 1.93 0.00 2.89 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 1141 Q 8.25 3.86 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 1142 A 7.56 3.95 1.10 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 0.00 0.00 0.00 1143 A 7.45 3.88 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 1144 L 8.29 3.90 0.00 1.64 1.72 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1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 1202 E 7.97 3.91 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 1203 Y 7.43 4.75 0.00 2.98 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 1204 N 7.87 4.08 0.00 2.90 2.90 0.00 0.00 6.83 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1205 A 8.15 4.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1206 A 8.45 4.22 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 1207 P 0.00 4.14 0.00 0.88 1.18 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 1208 P 0.00 5.30 0.00 2.09 2.15 0.00 3.50 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 1209 L 8.62 5.10 0.00 1.45 1.41 0.28 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1210 Q 8.08 4.89 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.14 0.00 1211 G 8.27 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1212 F 8.43 4.77 0.00 3.06 3.02 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 0.00 0.00 0.00 1213 G 8.40 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1214 I 7.61 4.24 2.10 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 1.50 0.67 0.99 0.00 0.00 1215 S 8.59 4.88 0.00 4.03 3.94 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 1216 A 7.62 4.78 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 1217 P 0.00 4.15 0.00 2.16 2.12 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 1218 D 7.99 4.37 0.00 2.88 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 1219 Q 8.00 4.03 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 1220 V 7.67 3.61 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 1.08 0.00 0.00 0.99 0.00 0.00 1221 K 8.13 3.98 0.00 1.94 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.45 7.81 1222 A 7.85 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1223 A 7.84 3.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1224 I 7.59 3.98 2.00 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 1.55 1.43 0.91 0.00 0.00 1225 D 8.14 4.38 0.00 2.78 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 1226 A 8.29 4.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1227 G 8.04 3.94 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 0.00 0.00 0.00 1228 A 7.92 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1229 A 8.64 4.36 1.03 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 0.00 0.00 1230 G 7.29 4.46 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 0.00 1231 A 8.82 5.31 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 1232 I 8.34 5.46 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.09 1.00 0.00 0.00 1233 S 8.61 4.47 0.00 4.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1234 G 8.87 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 0.00 0.00 0.00 0.00 1235 S 8.17 4.07 0.00 3.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1236 A 8.08 3.81 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1237 I 7.80 3.32 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.02 0.91 0.00 0.00 1238 V 7.55 3.55 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 1.10 0.00 0.00 1.07 0.00 0.00 1239 K 8.11 4.01 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 1240 I 6.93 3.74 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.40 0.81 0.00 0.00 1241 I 7.51 3.87 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.90 0.00 0.00 1242 E 8.11 4.26 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 1243 Q 7.97 4.38 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 1244 H 7.91 4.91 0.00 3.20 3.22 0.00 5.84 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1245 I 8.29 3.67 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.91 0.00 0.00 1246 N 7.61 5.01 0.00 2.85 2.85 0.00 0.00 5.84 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1247 E 8.14 4.87 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 1248 P 0.00 4.22 0.00 2.25 2.33 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 1249 E 8.14 3.87 0.00 2.06 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 2.38 2.37 0.00 1250 K 8.01 3.99 0.00 1.94 1.98 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.64 7.81 1251 M 8.32 3.89 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 1252 L 7.93 4.00 0.00 1.75 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 1253 A 7.85 4.00 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 1254 A 8.11 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1255 L 7.93 3.98 0.00 1.89 1.78 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 1256 K 7.95 3.92 0.00 1.88 1.97 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.46 7.81 1257 V 7.53 3.62 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 0.87 0.00 0.00 1.03 0.00 0.00 1258 F 8.00 4.28 0.00 3.07 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 1259 V 8.20 3.36 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 1.11 0.00 0.00 1.28 0.00 0.00 1260 Q 7.91 3.88 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 1261 P 0.00 4.10 0.00 1.86 1.94 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 1262 M 6.62 3.58 0.00 0.79 0.95 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 1263 K 7.76 3.93 0.00 1.74 1.86 0.00 1.58 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.47 7.81 1264 A 8.29 3.93 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 1265 A 7.84 4.08 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 1266 T 7.83 4.20 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1267 R 7.62 4.43 0.00 1.90 1.82 0.00 3.15 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 1268 S 7.93 4.37 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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.