NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.4473 8.2893 120.3232 55.2744 32.4899 174.1233 1002 V 4.2028 7.9589 123.5447 59.1109 33.7509 174.3893 1003 R 4.3156 8.6639 124.0833 56.0008 32.1794 176.7816 1004 V 4.9174 9.3292 121.0364 61.0624 35.2610 174.1063 1005 K 5.0361 9.2453 128.6055 54.7358 35.3477 174.5347 1006 I 4.3311 8.5288 128.6914 60.1279 38.6006 174.9840 1007 C 4.4106 8.7704 128.5468 58.0417 33.6856 173.1872 1008 G 3.7699 8.3962 106.4317 46.2233 0.0000 173.7754 1009 I 3.8593 7.2739 120.4088 61.1393 37.4019 176.2082 1010 T 4.6516 8.2842 112.4216 60.4020 70.2618 173.6325 1011 N 4.9542 7.6618 119.0235 50.5773 41.2228 174.6398 1012 L 3.9618 8.6088 124.0669 58.5504 42.2016 178.8858 1013 E 3.9881 8.3131 117.8394 59.8991 29.3313 178.9209 1014 D 4.2590 8.5429 117.9282 57.3792 40.9712 178.4304 1015 A 3.9605 7.7614 120.5752 55.5993 18.2621 179.6169 1016 L 3.9268 8.2438 117.2267 58.0338 41.6424 179.6844 1017 F 3.9926 8.2296 120.4109 61.3088 39.1919 177.3551 1018 S 4.0544 8.4990 115.2888 61.3656 62.2302 176.9007 1019 V 3.4614 7.7020 120.8567 66.0288 31.1376 177.6344 1020 E 3.8538 7.9612 117.1800 59.8738 29.3963 179.5251 1021 S 4.1227 7.6282 113.8180 61.0359 62.8708 173.9384 1022 G 3.1760 7.0407 110.1979 44.6021 0.0000 173.4466 1023 A 4.0827 7.8379 124.9370 52.4911 18.7890 177.8781 1024 D 4.5205 8.9058 121.8125 55.7651 42.1796 176.7115 1025 Y 4.9866 7.7910 114.3846 56.1965 42.8829 174.7277 1026 V 4.6936 8.6735 115.3384 59.5859 35.3932 175.0247 1027 G 4.1682 8.5950 112.6044 44.3328 0.0000 172.0753 1028 F 5.0157 8.6784 120.0510 55.2015 42.8699 174.4327 1029 V 4.1689 7.7898 122.2472 60.9525 33.0994 176.1184 1030 F 5.0172 8.3079 129.2150 57.4452 39.2279 175.4938 1031 Y 4.9515 8.1320 120.8188 55.3230 39.4832 173.6351 1032 P 3.4813 0.0000 0.0000 65.2728 31.7610 177.2360 1033 K 4.1104 5.8682 117.3491 55.6568 32.0952 176.8921 1034 S 4.6273 7.2513 112.1116 56.2096 65.8261 174.4417 1035 K 3.9781 8.8380 126.3289 59.4417 31.9638 177.7679 1036 R 4.4244 7.5097 116.2362 56.1180 29.9733 175.8176 1037 Y 4.3793 7.7287 119.8309 57.9587 39.5240 175.3684 1038 I 4.5018 6.8131 124.7605 58.9484 41.0597 175.0105 1039 S 4.2670 8.6729 123.8366 57.8602 63.9800 173.2474 1040 P 4.1925 0.0000 0.0000 66.1191 30.9411 178.2132 1041 E 3.7176 8.1862 117.0699 59.4662 29.7308 178.1767 1042 D 4.3166 7.9503 117.9760 57.4467 40.9792 178.9674 1043 A 3.5781 8.0892 121.3091 54.9723 18.3465 179.5184 1044 R 3.6216 7.9214 117.5212 59.4315 29.7573 178.6956 1045 R 3.8731 7.2493 116.9657 59.4454 30.3458 178.8740 1046 I 3.8656 7.2729 117.7385 64.5078 37.1576 177.9982 1047 S 4.2913 8.2783 114.2496 62.0249 61.9461 176.6298 1048 V 3.5958 7.7061 119.2927 65.4036 31.2833 176.6446 1049 E 4.3055 8.2429 117.1113 55.6877 29.9954 175.3808 1050 L 4.5718 7.6183 119.4081 53.6357 43.0770 174.2788 1051 P 4.5329 0.0000 0.0000 63.0707 31.7321 175.7863 *1054 V 4.4169 7.4087 110.3816 61.4377 32.7936 174.9572 1055 E 4.0414 8.3288 119.7611 57.5848 30.5095 176.4432 1056 R 5.0198 8.8706 123.1113 54.5866 32.6610 175.0620 1057 V 4.9580 8.8081 124.6320 61.1095 34.4560 174.4825 1058 G 4.7636 8.9462 112.8419 44.5232 0.0000 171.8324 1059 V 4.8854 8.3885 124.1866 61.1033 33.6140 174.4822 1060 F 5.3047 9.1382 125.9927 55.6465 43.0198 174.1715 1061 V 4.3978 8.3959 121.0331 61.8781 33.7893 175.4681 1062 N 4.0830 7.5685 125.7443 54.5720 36.5637 173.2551 1063 E 4.7521 7.7993 117.7533 54.3323 32.5534 174.8923 1064 E 4.5176 8.3465 121.2874 54.3571 32.6697 175.2666 1065 P 4.1248 0.0000 0.0000 66.5578 31.1170 177.7966 1066 E 3.8697 8.3001 117.9814 59.2307 29.2850 179.3217 1067 K 3.9108 7.8943 118.4132 59.4717 32.3654 178.5851 1068 I 2.8293 7.1709 119.7413 64.3908 37.0118 178.4740 1069 L 3.9104 7.8215 119.4645 57.5466 41.2834 179.0006 1070 D 4.2302 8.0255 118.1491 57.3093 41.2470 178.3028 1071 V 3.5551 8.0210 118.5457 66.1439 31.5700 177.7092 1072 A 4.0916 8.0495 120.3727 55.2720 18.0561 179.6216 1073 S 4.0195 8.1121 111.4175 61.6737 62.3450 175.6623 1074 Y 4.4540 7.9402 120.8626 60.9866 38.7112 178.0498 1075 V 3.4492 8.1721 117.0882 63.2229 32.1287 175.2211 1076 Q 3.6105 7.6799 114.4799 57.1269 26.0352 173.8141 1077 L 4.4577 7.9340 116.4987 55.1514 42.5307 177.1792 1078 N 5.0479 9.2430 117.4070 54.0168 40.6404 174.4587 1079 A 5.0570 7.9115 118.8223 50.9496 23.3935 174.8566 1080 V 5.0616 9.2575 118.1674 61.4293 35.8628 174.3443 1081 Q 5.0026 9.3844 127.5494 54.2829 31.3857 174.2257 1082 L 4.4238 8.7511 128.2280 54.2388 42.6975 177.3821 1083 H 4.8224 9.3432 124.1441 55.8792 28.9794 175.5845 1084 G 4.3076 8.0630 109.4113 44.9682 0.0000 173.7464 1085 E 4.7591 8.4699 114.2884 55.6841 30.2767 176.3500 1086 E 4.2117 8.0354 118.3396 55.0722 30.8084 175.8700 1087 P 4.4074 0.0000 0.0000 62.9464 31.9405 177.0313 1088 I 3.7758 8.4638 120.8166 65.1190 36.9895 178.4499 1089 E 4.0062 8.1458 118.7266 59.1568 29.3176 178.9999 1090 L 3.9710 8.0566 120.4889 58.2922 42.1816 178.7366 1091 C 3.9365 8.0214 116.2191 62.8405 27.8320 175.8802 1092 R 4.3479 8.5166 120.4965 59.3313 29.3756 178.5331 1093 K 4.0401 7.7181 118.4035 59.5742 32.4776 178.6464 1094 I 3.8108 7.7806 119.8886 64.3645 36.6376 178.1234 1095 A 4.3413 8.4078 123.3141 54.6899 17.8638 179.5134 1096 E 3.8070 7.8394 114.8255 58.7622 29.5580 178.6035 1097 R 4.5279 7.8989 115.9430 55.5319 31.9088 175.6861 1098 I 4.3975 6.6110 117.0220 59.1218 41.4336 172.9031 1099 L 4.1419 8.5049 127.7521 55.4169 42.8349 175.9724 1100 V 5.0965 8.3500 118.7831 59.3514 35.2719 174.8518 1101 W 4.8334 9.2400 123.7186 54.7861 32.3396 174.3214 1102 K 4.5996 9.2568 126.4868 54.9027 33.2435 174.7934 1103 A 5.4857 8.2327 129.7946 50.0909 20.2883 176.3998 1104 V 4.1795 8.0005 121.5404 60.7317 34.7310 174.8299 1105 G 4.0229 8.6256 115.0152 45.9269 0.0000 172.8646 1106 V 4.4531 8.0790 123.4719 61.0570 33.5240 174.6447 1107 S 4.4904 9.0358 120.1717 59.2544 65.1304 173.2243 1108 N 5.1514 7.7907 116.2659 49.8605 40.8234 174.4057 1109 E 4.0062 9.0646 117.0743 59.9035 29.6326 180.0595 1110 R 4.4112 8.0989 116.3590 59.0643 29.0431 178.4067 1111 D 4.3423 8.1113 119.0080 57.1542 40.4824 178.5988 1112 M 3.9654 7.6632 118.8113 58.1678 31.9667 178.2795 1113 E 4.0050 7.7625 119.0275 59.1569 29.5678 179.0873 1114 R 3.9120 8.0316 118.1004 59.6288 30.0874 178.0335 1115 A 4.1227 7.8737 120.1375 55.4727 18.1894 179.5814 1116 L 4.1364 8.1878 117.2923 57.9483 41.4574 179.0948 1117 N 4.4996 8.4729 115.4835 55.0945 38.5157 175.1707 1118 Y 4.9257 8.1372 117.8204 57.5197 38.7952 177.4955 1119 R 4.2179 8.2753 119.1136 58.7483 29.3424 177.6205 1120 E 3.9948 8.1795 115.6203 57.8977 30.1393 176.6307 1121 F 4.8472 8.0430 117.9583 54.7596 41.1604 173.6769 1122 P 4.4512 0.0000 0.0000 63.1406 32.1457 175.3651 1123 I 4.9215 8.6323 124.9113 59.7738 39.8701 174.4278 1124 L 4.9849 8.8655 127.8587 53.2940 44.7968 175.0589 1125 L 4.5895 8.5200 127.5308 54.0715 43.2721 175.8517 1126 D 5.2911 8.7454 123.0566 51.3945 45.2594 176.5674 1127 T 4.6572 8.3791 124.1328 62.8177 66.7618 178.2674 *1137 K 3.9559 8.7371 133.3677 57.3987 32.3827 174.6656 1138 T 4.6650 8.3026 116.7852 60.0167 71.0478 172.7329 1139 F 4.8431 7.6742 115.1696 54.0278 41.2227 174.9476 1140 D 4.1259 8.4846 119.4799 53.6133 40.8182 176.1272 1141 W 4.3342 7.7241 128.3544 59.5459 29.2223 178.2335 1142 S 4.3745 8.4547 114.4870 60.8593 62.1487 175.6240 1143 L 4.4129 7.7174 120.4546 56.8246 40.4543 178.1974 1144 I 4.3443 8.1288 121.8986 64.3189 37.3703 178.1742 1145 L 3.9708 7.6045 119.3532 57.3214 41.6251 177.8243 1146 P 4.1230 0.0000 0.0000 65.5480 31.3992 176.4727 1147 Y 4.3690 8.4522 114.5500 57.2988 38.4101 176.9789 1148 R 4.0992 7.7240 121.7240 60.0567 30.2038 178.1911 1149 D 4.4839 8.0431 116.3874 57.0965 40.9380 177.8622 1150 R 3.9905 7.6073 116.1988 56.9593 30.2789 176.2580 1151 F 5.1264 7.4785 117.1228 55.4692 40.5022 175.0244 1152 R 3.7443 8.2229 123.1339 57.3527 30.3458 176.7451 1153 Y 4.7290 7.4842 118.7110 55.7431 38.4785 174.2373 1154 L 4.3603 8.2580 123.5442 55.3363 44.0691 175.5222 1155 V 4.8758 8.8958 126.3557 61.0427 34.2526 173.6787 1156 L 4.8943 8.6246 130.3965 53.8796 43.4224 175.1432 1157 S 5.2111 8.5338 120.1279 55.6696 66.0640 173.3753 1158 G 4.1809 10.1206 112.3922 46.1161 0.0000 173.9959 1159 G 4.2648 8.6586 116.6038 45.8473 0.0000 171.9730 1160 L 4.6709 7.3187 118.5229 54.3819 42.7227 175.7606 1161 N 5.2177 9.4437 117.7674 50.8186 41.3501 173.6663 1162 P 4.2836 0.0000 0.0000 65.8125 31.2734 178.4231 1163 E 4.1842 8.4908 117.0889 58.5601 29.8464 177.9701 1164 N 4.7873 8.3353 115.1592 53.7054 38.1888 177.0392 1165 V 3.3427 7.3363 115.8194 64.8869 31.5925 178.0882 1166 R 3.8064 7.8985 116.5765 59.6600 29.9140 178.8131 1167 S 4.1075 8.0955 113.6590 61.7604 62.8660 176.4044 1168 A 2.9254 7.6407 122.9914 54.9654 17.7831 179.8132 1169 I 3.5154 7.8762 118.5034 64.5744 36.9449 178.4419 1170 D 4.3191 8.1749 119.0956 57.2035 40.6432 178.8857 1171 V 3.7386 7.5348 118.0340 66.0373 31.7994 177.8983 1172 V 3.7864 7.9728 116.9887 63.0189 32.6597 175.9527 1173 R 3.8211 7.9884 116.4205 56.5653 27.5681 173.7206 1174 P 4.6693 0.0000 0.0000 62.2003 33.1892 176.7899 1175 F 4.5775 9.2323 121.3647 60.9760 40.3966 174.7023 1176 A 5.1396 8.0377 118.1640 50.1335 23.3199 174.9432 1177 V 4.8176 8.8170 118.4291 59.8997 34.2745 174.1601 1178 D 5.5165 9.3367 124.1847 52.4310 44.0822 174.9080 1179 V 4.0370 8.3015 123.5499 60.8228 34.5163 173.6715 1180 S 4.6129 8.6071 112.8956 59.5671 65.0395 175.9038 1181 S 4.3249 8.0205 115.3381 61.1081 63.6021 176.6681 1182 G 4.2046 7.9193 107.4324 46.8029 0.0000 173.8462 1183 V 4.4185 7.4747 111.5431 60.9015 32.9270 175.0141 1184 E 4.6814 8.2283 119.7505 55.1125 30.9473 176.8198 1185 A 4.3589 8.1532 123.8828 53.3408 19.6184 177.4996 1186 F 4.5913 7.3444 108.4451 55.4676 39.6625 171.1497 1187 P 4.6235 0.0000 0.0000 64.3620 31.2681 175.4012 1188 G 4.1964 9.1669 119.3339 45.3451 0.0000 173.1423 1189 K 4.1387 6.5663 121.6423 54.0971 32.6986 176.3292 1190 K 4.2818 8.2938 126.1901 56.0488 33.0512 176.1582 1191 D 4.6361 8.8357 122.7738 53.2381 41.7381 176.7029 1192 H 3.9662 8.9105 124.9084 59.3682 28.4369 177.3148 1193 D 4.4570 8.0145 119.9402 57.3445 40.7122 178.7051 1194 S 4.1781 8.6325 115.9390 61.6460 62.7537 176.6911 1195 I 3.7353 7.6982 121.9401 64.4377 36.9925 178.1532 1196 K 3.8846 8.2189 120.2183 60.0630 31.8583 178.6968 1197 M 4.0694 8.4637 118.9556 58.2755 31.8627 178.2328 1198 F 3.9915 8.9152 121.0927 61.6848 39.5988 177.2908 1199 I 3.7582 8.3691 119.5369 64.0161 36.7838 178.5321 1200 K 3.8907 7.9999 120.4799 59.6950 31.8637 178.7509 1201 N 4.2316 8.3733 116.8502 55.9679 38.1458 177.3938 1202 A 3.6368 7.7836 121.7018 55.0965 18.6806 179.5185 1203 K 4.1119 7.8788 114.1496 56.7609 32.6329 177.2970 1204 G 3.7054 7.5510 107.1144 46.3499 0.0000 173.6666 1205 L 4.2177 7.8973 124.4151 54.5126 41.7390 176.9884 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 8.29 4.45 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 1002 V 7.96 4.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.82 0.00 0.00 1003 R 8.66 4.32 0.00 1.53 1.91 0.00 2.78 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 1004 V 9.33 4.92 2.11 0.00 0.00 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 0.00 0.00 0.94 0.00 0.00 1005 K 9.25 5.04 0.00 1.64 1.42 0.00 1.13 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.27 7.81 1006 I 8.53 4.33 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.74 0.77 0.00 0.00 1007 C 8.77 4.41 0.00 3.01 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 G 8.40 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 3.86 1.70 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 1.15 0.66 0.90 0.00 0.00 1010 T 8.28 4.65 4.21 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 1.20 0.00 0.00 1011 N 7.66 4.95 0.00 2.97 2.89 0.00 0.00 5.82 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 L 8.61 3.96 0.00 1.79 1.73 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 1013 E 8.31 3.99 0.00 2.25 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 2.43 2.38 0.00 1014 D 8.54 4.26 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1015 A 7.76 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1016 L 8.24 3.93 0.00 1.90 1.77 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 1017 F 8.23 3.99 0.00 3.16 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 1018 S 8.50 4.05 0.00 3.97 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 1019 V 7.70 3.46 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 0.98 0.00 0.00 0.96 0.00 0.00 1020 E 7.96 3.85 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 2.52 2.45 0.00 1021 S 7.63 4.12 0.00 3.64 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1022 G 7.04 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 0.00 0.00 0.00 1023 A 7.84 4.08 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 1024 D 8.91 4.52 0.00 2.58 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 0.00 0.00 0.00 0.00 1025 Y 7.79 4.99 0.00 2.67 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 1026 V 8.67 4.69 1.82 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 0.61 0.00 0.00 0.61 0.00 0.00 1027 G 8.59 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 1028 F 8.68 5.02 0.00 2.40 2.24 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 1029 V 7.79 4.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.81 0.00 0.00 1030 F 8.31 5.02 0.00 2.45 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 1031 Y 8.13 4.95 0.00 2.97 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 1032 P 0.00 3.48 0.00 1.82 1.77 0.00 3.79 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 1033 K 5.87 4.11 0.00 0.79 1.48 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 0.96 7.81 1034 S 7.25 4.63 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1035 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0.00 0.00 0.00 1.69 1.59 0.00 1111 D 8.11 4.34 0.00 2.84 2.80 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 0.00 0.00 0.00 1112 M 7.66 3.97 0.00 1.03 2.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.70 0.00 1113 E 7.76 4.00 0.00 2.07 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 2.40 0.00 1114 R 8.03 3.91 0.00 1.90 2.13 0.00 3.23 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 1115 A 7.87 4.12 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 1116 L 8.19 4.14 0.00 2.08 1.79 1.10 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 1117 N 8.47 4.50 0.00 2.78 2.68 0.00 0.00 6.81 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 1118 Y 8.14 4.93 0.00 3.18 3.13 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 0.00 0.00 0.00 1119 R 8.28 4.22 0.00 2.05 2.15 0.00 3.01 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.59 0.00 1120 E 8.18 3.99 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.47 0.00 1121 F 8.04 4.85 0.00 3.14 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 1122 P 0.00 4.45 0.00 1.08 1.68 0.00 3.77 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 1.59 2.05 0.00 1123 I 8.63 4.92 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.06 0.53 0.00 0.00 1124 L 8.87 4.98 0.00 1.55 1.43 0.74 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 1125 L 8.52 4.59 0.00 1.70 1.41 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 1126 D 8.75 5.29 0.00 2.66 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1127 T 8.38 4.66 4.32 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 1.33 0.00 0.00 *1137 K 8.74 3.96 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 1138 T 8.30 4.66 4.05 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 1.39 0.00 0.00 1139 F 7.67 4.84 0.00 3.12 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 1140 D 8.48 4.13 0.00 2.69 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 1141 W 7.72 4.33 0.00 3.39 2.98 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 1142 S 8.45 4.37 0.00 4.14 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 0.00 1143 L 7.72 4.41 0.00 2.11 1.95 1.24 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 1144 I 8.13 4.34 2.21 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.00 1.14 0.00 0.00 1145 L 7.60 3.97 0.00 1.90 1.77 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 1146 P 0.00 4.12 0.00 1.63 2.06 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.09 0.00 1147 Y 8.45 4.37 0.00 3.25 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 1148 R 7.72 4.10 0.00 2.06 2.02 0.00 3.35 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 1149 D 8.04 4.48 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1150 R 7.61 3.99 0.00 1.26 1.64 0.00 3.19 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 1151 F 7.48 5.13 0.00 3.28 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 1152 R 8.22 3.74 0.00 1.79 1.53 0.00 3.11 0.00 0.00 3.13 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 1153 Y 7.48 4.73 0.00 2.73 2.24 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 1154 L 8.26 4.36 0.00 1.93 1.73 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1155 V 8.90 4.88 1.92 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 0.63 0.00 0.00 0.75 0.00 0.00 1156 L 8.62 4.89 0.00 1.77 1.42 0.99 -0.17 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 1157 S 8.53 5.21 0.00 3.88 3.92 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 1158 G 10.12 4.18 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 0.00 0.00 0.00 1159 G 8.66 4.26 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 0.00 1160 L 7.32 4.67 0.00 2.05 1.92 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1161 N 9.44 5.22 0.00 3.02 2.97 0.00 0.00 7.31 7.39 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 1162 P 0.00 4.28 0.00 2.11 2.25 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.53 0.00 1163 E 8.49 4.18 0.00 2.15 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 2.37 2.38 0.00 1164 N 8.34 4.79 0.00 3.33 3.21 0.00 0.00 6.24 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 1165 V 7.34 3.34 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.65 0.00 0.00 1166 R 7.90 3.81 0.00 1.75 1.97 0.00 3.26 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 1167 S 8.10 4.11 0.00 4.28 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 1168 A 7.64 2.93 0.02 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 0.00 0.00 1169 I 7.88 3.52 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.83 0.00 0.00 1170 D 8.17 4.32 0.00 2.78 2.73 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 1171 V 7.53 3.74 2.27 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 0.93 0.00 0.00 1.09 0.00 0.00 1172 V 7.97 3.79 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 0.94 0.00 0.00 0.91 0.00 0.00 1173 R 7.99 3.82 0.00 2.00 1.98 0.00 3.38 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 1174 P 0.00 4.67 0.00 2.40 2.05 0.00 3.70 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 1175 F 9.23 4.58 0.00 3.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1176 A 8.04 5.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1177 V 8.82 4.82 2.01 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 0.98 0.00 0.00 0.85 0.00 0.00 1178 D 9.34 5.52 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1179 V 8.30 4.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.61 0.00 0.00 1180 S 8.61 4.61 0.00 3.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1181 S 8.02 4.32 0.00 4.02 4.08 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 0.00 0.00 0.00 1182 G 7.92 4.20 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 0.00 0.00 0.00 1183 V 7.47 4.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.75 0.00 0.00 1184 E 8.23 4.68 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.37 0.00 1185 A 8.15 4.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1186 F 7.34 4.59 0.00 3.24 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1187 P 0.00 4.62 0.00 2.14 2.12 0.00 3.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 1188 G 9.17 4.20 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 0.00 0.00 0.00 1189 K 6.57 4.14 0.00 1.32 0.74 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.25 7.81 1190 K 8.29 4.28 0.00 1.92 1.74 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.48 1.42 7.81 1191 D 8.84 4.64 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1192 H 8.91 3.97 0.00 2.80 2.31 0.00 5.69 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 1193 D 8.01 4.46 0.00 2.89 2.75 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 1194 S 8.63 4.18 0.00 4.06 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 1195 I 7.70 3.74 2.24 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.97 0.00 0.00 1196 K 8.22 3.88 0.00 2.17 2.06 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 1197 M 8.46 4.07 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.82 0.00 1198 F 8.92 3.99 0.00 3.15 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 1199 I 8.37 3.76 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.89 0.00 0.00 1200 K 8.00 3.89 0.00 2.15 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.46 7.81 1201 N 8.37 4.23 0.00 2.69 2.71 0.00 0.00 6.98 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1202 A 7.78 3.64 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1203 K 7.88 4.11 0.00 1.79 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.38 7.81 1204 G 7.55 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.22 0.00 1.58 1.55 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.