NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1045 E 4.2528 8.2985 118.7925 56.3012 30.9484 175.5611 1046 A 3.7903 8.7348 118.0946 55.7623 18.5034 179.0256 1047 R 3.8141 8.9434 119.8511 61.5493 29.7842 179.1351 1048 L 4.0204 7.7275 118.8672 57.6983 41.7753 178.9760 1049 E 3.8824 8.0924 119.1142 59.4383 29.5281 178.6913 1050 E 4.0900 8.3778 118.4959 59.2060 29.4685 179.2722 1051 A 3.5245 7.7498 120.7717 54.9641 18.4170 179.9007 1052 V 3.3336 7.3685 116.6779 66.0394 31.5096 177.7598 1053 N 4.3592 8.5563 116.5993 56.5818 38.3622 177.5353 1054 R 3.9286 7.8456 119.1635 58.9773 30.1355 179.0944 1055 W 4.5479 7.9544 118.6789 59.9353 29.1257 178.6685 1056 V 3.7855 8.6409 118.4146 66.0045 30.9510 177.7046 1057 L 4.1769 8.4409 120.3133 58.4090 41.9849 179.1613 1058 K 4.1765 8.4970 118.4749 59.2701 31.8714 179.2176 1059 F 4.0876 8.5822 121.0307 61.7141 39.3620 176.9540 1060 Y 3.9561 8.1969 116.2651 60.6906 37.5633 178.3854 1061 F 4.3395 8.6561 122.0715 61.5889 39.5906 176.5525 1062 H 3.7627 8.2196 117.7471 59.4327 29.6311 177.1505 1063 E 3.8525 8.0519 120.0563 59.0293 29.0636 179.2583 1064 A 4.1188 8.3799 121.6018 55.0837 18.3934 179.6568 1065 L 3.8445 7.7205 117.6261 57.7420 41.5771 179.7446 1066 R 3.7613 7.7185 118.3435 59.2912 29.9588 178.4404 1067 A 3.9321 8.1760 120.6865 55.0478 18.3193 179.3867 1068 F 3.5444 8.5246 119.3864 61.3147 39.2607 177.2103 1069 R 4.0425 8.2579 117.5828 59.2079 29.8587 177.6836 1070 G 3.8465 7.8115 102.7227 43.7917 0.0000 173.4133 1071 S 2.7900 7.4223 114.5355 59.2335 61.5984 174.4161 1072 R 4.2418 7.7054 119.4548 55.0258 26.5223 176.1060 1073 Y 4.3380 6.9644 119.3868 60.8993 38.4084 178.7373 1074 G 3.6608 8.1202 106.3948 47.9877 0.0000 175.4356 1075 D 4.4310 8.0774 121.0777 56.8636 40.8445 178.3904 1076 F 4.1923 8.4034 121.3054 61.3706 39.4152 177.4440 1077 R 3.8140 8.5669 117.9284 59.3660 29.7717 179.0967 1078 Q 3.9668 8.0795 117.8022 59.1057 28.7880 178.9872 1079 I 3.6354 8.0516 121.2139 64.2248 37.0312 178.5163 1080 R 3.7602 7.8984 119.8326 59.3401 29.8144 178.3510 1081 D 4.3013 7.9781 118.8427 57.0865 40.7379 178.8260 1082 I 3.6043 7.3786 120.5779 64.6414 37.2024 178.3991 1083 M 4.1179 7.8588 119.3946 58.2527 31.4943 178.6094 1084 Q 3.9505 7.9856 119.0592 59.1691 29.5272 177.9383 1085 A 4.1115 7.9881 121.8398 54.9262 18.3931 179.3405 1086 L 4.0888 8.0055 118.8410 57.8852 41.9376 178.9298 1087 L 4.1217 7.6260 117.6689 57.2556 41.5347 179.2030 1088 V 3.8359 7.2361 110.1685 62.6143 31.8008 176.8530 1089 R 4.2815 7.1700 117.4034 54.4074 30.8083 174.4785 1090 P 4.3398 0.0000 0.0000 62.9177 31.8327 175.5772 1091 L 4.8424 8.0287 120.8897 52.6486 45.3987 177.8278 1092 G 3.6746 8.7255 109.1202 46.7509 0.0000 175.7527 1093 K 4.1613 6.9034 122.4737 58.0776 33.8197 178.1756 1094 E 4.1561 8.1966 118.7587 58.9133 30.6730 179.1581 1095 H 3.9268 8.3353 117.6845 55.7471 29.9499 176.2420 1096 T 4.0327 8.3769 114.3502 63.8352 67.9004 177.8273 1097 V 3.7585 7.8704 124.5038 66.8235 31.3901 178.3246 1098 S 4.0692 7.9513 113.8691 61.3556 62.8184 176.5938 1099 R 3.7873 7.5728 121.6582 58.9234 29.8561 178.6228 1100 L 3.4004 7.7352 119.4965 58.1374 41.8281 178.9276 1101 L 4.0424 8.0317 119.0457 57.6455 41.5415 179.6111 1102 R 3.9952 8.1626 118.2166 59.0713 30.0153 179.1877 1103 V 3.5887 7.8975 117.9535 66.4818 31.6512 177.8201 1104 M 4.3241 8.1542 118.2729 58.6517 31.8365 178.6649 1105 Q 4.0209 8.2847 119.5301 59.2854 29.3548 177.8230 1106 C 4.1363 8.5119 120.0928 62.6415 31.6090 175.5455 1107 L 3.8159 8.4696 120.8761 57.7359 41.1869 179.7547 1108 S 4.5315 8.4986 115.2690 61.7485 62.7990 176.9087 1109 R 4.0260 7.9670 120.2277 59.3727 29.6264 179.2220 1110 I 3.9269 7.5541 118.1209 64.5266 37.2180 177.7749 1111 E 4.0709 8.6626 119.5666 58.6080 29.7529 177.7371 1112 E 4.5539 8.2850 115.6009 56.7539 30.2744 177.9920 1113 G 3.8254 8.1329 106.6231 47.5217 0.0000 174.1283 1114 E 3.5560 7.6919 120.0592 57.9452 30.1956 176.6833 1115 N 4.3834 7.6711 118.3164 53.3238 40.1509 173.8217 *1119 S 4.3175 8.1898 115.4452 58.4943 63.8658 168.3090 1120 F 4.3022 8.6662 119.4651 59.3262 39.3117 174.1212 1121 D 4.5726 7.6613 127.5514 52.6595 41.4235 176.3969 1122 M 4.2023 8.5715 126.7593 57.5230 32.5355 176.3096 1123 E 4.2858 9.1314 117.0864 56.7704 30.3298 176.0229 1124 A 4.3945 7.4859 121.5981 50.8235 20.8623 175.8677 1125 E 4.0349 8.7763 123.0600 59.3572 30.0126 178.0297 1126 L 4.4733 7.5503 117.3282 53.8027 43.2083 176.9934 1127 T 4.2787 8.4439 112.3168 60.4676 71.1166 174.0420 1128 P 4.2471 0.0000 0.0000 66.2847 31.3933 178.9904 1129 L 4.1760 7.9720 116.7838 57.7327 41.6922 179.2411 1130 E 3.9903 7.9378 117.5148 59.3614 29.3446 179.3231 1131 S 4.1699 8.1375 113.1475 61.2325 62.4522 175.9294 1132 A 4.0883 8.4230 123.9525 55.1941 18.1300 179.6867 1133 I 3.6503 7.7157 118.4506 64.5870 37.2588 178.2806 1134 N 4.3414 7.7564 116.4184 56.4398 38.3606 177.6341 1135 V 3.6537 7.8120 119.5749 65.8953 31.5345 177.8082 1136 L 3.9941 8.1784 120.2338 58.2133 42.0462 178.8584 1137 E 4.0155 8.2021 118.2729 59.5181 29.2665 179.1543 1138 M 4.2127 7.9404 118.4204 58.0496 31.9615 178.8773 1139 I 3.9284 7.9863 120.4144 64.1061 37.3014 178.2048 1140 K 3.9548 8.2790 120.5966 60.0729 31.8449 179.0398 1141 T 4.0501 7.6700 114.2023 66.4722 68.5685 176.4095 1142 E 4.1994 8.5933 120.7006 59.1718 29.5582 178.4256 1143 F 4.1013 9.0120 114.8112 56.9635 40.4071 175.4597 1144 T 3.4907 7.1912 114.3429 64.5031 66.0272 171.5934 1145 L 4.7061 8.3061 120.6741 53.0664 44.2347 177.6615 1146 T 4.2446 8.1031 111.4476 61.0353 69.9935 175.2321 1147 E 3.8899 8.7979 122.6056 59.3535 29.2824 179.0461 1148 A 4.0094 7.8871 119.9065 55.1302 18.6596 179.3552 1149 V 3.7745 7.5548 115.3429 65.1813 31.8969 177.4718 1150 V 4.0966 7.5651 119.3892 64.8727 32.0089 177.9767 1151 E 3.9366 8.1456 118.8470 61.2464 29.4808 182.7288 1152 S 4.2648 8.0093 114.8279 61.4577 62.9505 176.5652 1153 S 3.8705 7.6514 118.4535 61.0879 62.3861 176.2931 1154 R 3.8886 7.9944 123.0568 60.1227 29.7932 179.5699 1155 K 3.8740 8.0666 122.9944 59.8893 31.5612 180.9613 1156 L 4.1267 7.8115 120.9143 58.2021 42.0164 179.3003 1157 V 3.7025 8.1741 118.5762 65.9168 31.3399 178.0488 1158 K 3.8792 8.3686 118.6058 59.5100 31.8258 179.1960 1159 E 3.8376 8.3459 118.6540 59.3709 29.3228 179.2554 1160 A 3.6303 7.9552 120.6440 54.7847 18.1269 179.4266 1161 A 3.8892 8.0914 119.6042 55.3255 18.4851 180.1211 1162 V 3.5239 7.4216 116.2881 66.2412 31.6223 178.1496 1163 I 3.4502 7.6190 119.7467 64.4285 36.8419 178.2709 1164 I 3.6257 7.8374 119.5858 64.2541 37.7722 177.7716 1165 C 4.0738 7.6367 116.2770 62.5831 27.8122 176.1568 1166 I 3.2224 7.6639 123.9118 64.7970 36.4923 179.2093 1167 K 3.8548 7.8571 123.3940 59.5995 31.5352 179.6731 1168 N 4.6940 7.7061 114.1238 52.0985 39.7901 175.1392 1169 K 3.2055 7.7590 119.2591 57.3166 30.0881 176.1654 1170 E 4.7230 7.6261 118.0565 54.1028 31.0504 177.8203 1171 F 4.1420 7.9172 121.5486 61.1151 39.4088 178.0872 1172 E 4.0326 8.2980 117.7004 61.2884 29.5663 183.6869 1173 K 4.2493 8.0433 119.2045 58.9479 32.2082 179.2511 1174 A 3.9546 8.1963 121.4197 55.0923 18.1769 179.8813 1175 S 4.0904 8.6762 116.4864 62.3456 62.9345 177.4283 1176 K 3.9024 7.9126 126.0340 60.0590 31.3452 181.0980 1177 I 3.9016 7.9790 121.2906 63.9568 36.8278 178.1822 1178 L 3.9973 8.2175 122.6589 58.7773 42.0124 179.4699 1179 K 4.1815 8.5625 124.7710 60.3330 31.7385 181.2953 1180 K 4.2553 8.1113 124.2359 58.6128 31.8749 178.5730 1181 H 4.9410 8.1716 118.0245 54.7019 30.9568 175.6341 1182 M 2.7688 8.4414 120.6777 56.2038 29.8960 178.4091 *1192 R 4.3443 8.2381 112.4505 58.1556 31.1980 174.2552 1193 N 4.3355 8.0093 121.3724 58.3124 37.5593 180.7669 1194 D 4.5755 8.1573 121.5266 57.7237 41.3367 178.6023 1195 L 4.0371 8.0607 124.9893 60.1126 40.8719 181.8307 1196 L 4.2392 7.5281 125.5625 60.0442 40.7436 181.3087 1197 N 4.4878 7.7653 120.0201 57.5362 37.4431 179.1090 1198 I 3.9920 7.9262 122.4234 64.1845 36.9944 178.5634 1199 I 3.7577 7.9667 121.9235 65.1838 37.2823 179.0026 1200 R 4.1478 8.6980 124.0814 62.2084 29.2087 181.2219 1201 E 4.3328 9.2155 122.8032 61.2129 29.8434 181.4291 1202 K 4.7013 8.7387 125.5314 59.4253 31.3667 181.4007 1203 N 4.5770 7.7137 116.8029 53.9345 37.7976 181.0439 1204 L 2.7531 7.2602 114.6085 55.3371 37.5401 179.1705 1205 A 4.5324 8.0421 121.8843 51.0168 21.2274 175.9975 1206 H 4.6150 8.6877 120.0835 58.7795 29.4113 176.3872 1207 P 4.4543 0.0000 0.0000 63.4064 30.8426 176.2202 1208 V 4.0612 7.9897 120.3814 61.4342 31.5275 175.2736 1209 I 2.8430 8.5616 126.6515 63.0543 37.5267 175.7368 1210 Q 4.1692 8.9382 115.4041 56.5408 27.7458 181.9363 1211 N 4.9949 7.9065 116.5087 53.6205 38.3895 174.5659 1212 F 4.7261 8.0533 113.1424 55.9772 40.4406 175.1838 1213 S 4.5021 7.7242 114.1492 56.4749 64.3398 173.7390 1214 Y 3.5814 8.2622 129.7739 60.3464 38.6590 177.4941 1215 E 4.0201 8.0650 119.2142 59.9245 29.5742 179.2498 1216 T 3.8088 7.6243 115.2448 66.4557 68.4108 176.5759 1217 F 4.1061 7.7411 122.4908 61.2427 39.3789 177.1092 1218 Q 3.4198 7.9821 117.9097 59.1564 28.5750 179.1332 1219 Q 4.0605 8.0793 118.7675 58.8137 28.6464 178.9611 1220 K 3.9649 7.7461 120.7387 59.5776 32.1336 178.9182 1221 M 3.9893 7.7394 119.1574 58.0303 31.7921 178.3391 1222 L 3.7045 7.9479 120.6203 58.2734 42.2350 179.3235 1223 R 3.9205 7.9249 117.8933 58.9804 29.7219 178.6935 1224 F 4.0837 7.8536 119.5689 61.3912 39.8473 176.8003 1225 L 3.7714 8.1052 118.5845 57.9017 41.4142 179.5289 1226 E 3.9820 8.5453 118.9931 59.1245 29.1373 179.2560 1227 S 4.1687 7.7473 113.1154 60.4063 62.8779 174.6015 1228 H 4.8503 7.4181 117.8786 55.3493 29.0076 173.6752 1229 L 4.9109 7.5336 119.4074 52.5718 43.9361 175.9460 1230 D 4.5566 8.5217 120.0181 54.6571 41.7321 175.5811 1231 D 4.6413 8.4160 120.3405 53.7851 41.9568 176.4563 1232 A 4.0462 7.7837 121.6076 53.3181 18.8221 176.7568 1233 E 4.3201 8.5215 122.4662 54.6552 30.9442 175.1749 1234 P 4.4868 0.0000 0.0000 62.4796 33.2678 176.8386 1235 Y 4.0945 8.8264 122.5909 61.2053 38.4366 178.8813 1236 L 3.4805 7.6947 119.0912 57.2888 41.6324 179.0553 1237 L 3.9204 7.8313 119.9440 58.3097 42.1378 178.8138 1238 T 3.7591 7.7454 115.6818 67.0846 68.4023 176.5011 1239 M 3.8125 7.6350 120.1262 57.9092 31.6076 178.6482 1240 A 3.8436 7.6187 120.4290 55.1758 18.8909 179.5478 1241 K 4.0236 8.2445 117.2968 59.5414 31.8849 179.7707 1242 K 4.0488 7.7636 117.4114 58.6379 32.0568 178.4081 1243 A 4.1605 7.8480 121.5188 52.4991 18.6439 177.8827 1244 L 4.0317 7.6236 122.8371 54.4992 41.6365 179.6987 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 1045 E 8.30 4.25 0.00 2.14 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 2.23 2.36 0.00 1046 A 8.73 3.79 1.33 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 1047 R 8.94 3.81 0.00 1.83 1.97 0.00 3.26 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 1048 L 7.73 4.02 0.00 1.87 1.68 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1049 E 8.09 3.88 0.00 2.01 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 2.28 2.34 0.00 1050 E 8.38 4.09 0.00 2.09 1.87 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 2.30 2.27 0.00 1051 A 7.75 3.52 0.85 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 0.00 0.00 1052 V 7.37 3.33 2.15 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 1.00 0.00 0.00 0.93 0.00 0.00 1053 N 8.56 4.36 0.00 2.87 2.86 0.00 0.00 7.06 7.62 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 1054 R 7.85 3.93 0.00 1.87 1.93 0.00 2.65 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 1055 W 7.95 4.55 0.00 3.72 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 1056 V 8.64 3.79 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1.17 0.00 0.00 1057 L 8.44 4.18 0.00 2.04 1.91 1.00 0.92 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 1058 K 8.50 4.18 0.00 2.24 2.04 0.00 2.01 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.62 7.81 1059 F 8.58 4.09 0.00 3.05 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 1060 Y 8.20 3.96 0.00 3.30 3.04 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 0.00 0.00 0.00 1061 F 8.66 4.34 0.00 3.20 3.36 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 1062 H 8.22 3.76 0.00 3.28 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1063 E 8.05 3.85 0.00 1.80 1.87 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 1.47 1.80 0.00 1064 A 8.38 4.12 1.47 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 1065 L 7.72 3.84 0.00 1.56 1.49 0.30 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 1066 R 7.72 3.76 0.00 1.90 2.01 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 1067 A 8.18 3.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 3.54 0.00 3.15 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 1069 R 8.26 4.04 0.00 1.96 2.04 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 1070 G 7.81 3.85 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 0.00 0.00 0.00 1071 S 7.42 2.79 0.00 3.82 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 1072 R 7.71 4.24 0.00 1.78 1.96 0.00 3.31 0.00 0.00 3.12 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 1073 Y 6.96 4.34 0.00 3.09 3.16 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 0.00 0.00 0.00 1074 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 D 8.08 4.43 0.00 2.88 2.76 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 0.00 0.00 0.00 1076 F 8.40 4.19 0.00 3.27 3.39 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 1077 R 8.57 3.81 0.00 2.12 2.01 0.00 3.28 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.23 0.00 1078 Q 8.08 3.97 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 1079 I 8.05 3.64 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 1.07 0.00 0.00 1080 R 7.90 3.76 0.00 1.16 1.75 0.00 3.19 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 1081 D 7.98 4.30 0.00 2.83 2.65 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 0.00 1175 S 8.68 4.09 0.00 4.05 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 1176 K 7.91 3.90 0.00 1.80 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 1177 I 7.98 3.90 2.00 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 1.59 0.82 0.97 0.00 0.00 1178 L 8.22 4.00 0.00 1.65 1.96 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1179 K 8.56 4.18 0.00 1.85 1.71 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.33 7.81 1180 K 8.11 4.26 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.36 7.81 1181 H 8.17 4.94 0.00 3.16 3.22 0.00 5.77 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1182 M 8.44 2.77 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.08 0.00 *1192 R 8.24 4.34 0.00 1.76 1.97 0.00 3.21 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 1193 N 8.01 4.34 0.00 2.72 2.85 0.00 0.00 6.45 8.07 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 1194 D 8.16 4.58 0.00 2.77 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 1195 L 8.06 4.04 0.00 1.69 1.67 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1196 L 7.53 4.24 0.00 1.66 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 1197 N 7.77 4.49 0.00 2.72 2.88 0.00 0.00 7.16 7.26 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 1198 I 7.93 3.99 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.89 0.00 0.00 1199 I 7.97 3.76 2.00 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 1.38 0.74 0.91 0.00 0.00 1200 R 8.70 4.15 0.00 1.76 1.94 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 1201 E 9.22 4.33 0.00 1.87 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 2.24 2.19 0.00 1202 K 8.74 4.70 0.00 1.71 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 1203 N 7.71 4.58 0.00 2.76 2.71 0.00 0.00 6.93 7.92 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 1204 L 7.26 2.75 0.00 1.89 1.69 0.92 0.56 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 1205 A 8.04 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1206 H 8.69 4.62 0.00 3.26 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.45 0.00 2.06 2.11 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 1208 V 7.99 4.06 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 1209 I 8.56 2.84 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.90 0.00 0.00 1210 Q 8.94 4.17 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.21 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 1211 N 7.91 4.99 0.00 2.76 2.89 0.00 0.00 6.86 6.80 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 1212 F 8.05 4.73 0.00 3.13 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 1213 S 7.72 4.50 0.00 3.80 3.58 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 0.00 0.00 0.00 0.00 1214 Y 8.26 3.58 0.00 3.10 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 1215 E 8.06 4.02 0.00 1.99 1.95 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 2.43 2.37 0.00 1216 T 7.62 3.81 4.25 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 1.18 0.00 0.00 1217 F 7.74 4.11 0.00 2.79 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 1218 Q 7.98 3.42 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 1219 Q 8.08 4.06 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 1220 K 7.75 3.96 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.47 7.81 1221 M 7.74 3.99 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 1222 L 7.95 3.70 0.00 1.61 1.84 0.57 0.93 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 1223 R 7.92 3.92 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 1224 F 7.85 4.08 0.00 2.95 3.27 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 0.00 1225 L 8.11 3.77 0.00 1.74 1.59 0.81 1.17 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 1226 E 8.55 3.98 0.00 1.87 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 0.00 2.21 2.42 0.00 1227 S 7.75 4.17 0.00 3.85 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 1228 H 7.42 4.85 0.00 2.87 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1229 L 7.53 4.91 0.00 1.80 1.72 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 1230 D 8.52 4.56 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.64 0.00 2.68 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 1232 A 7.78 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1233 E 8.52 4.32 0.00 1.94 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 2.23 2.25 0.00 1234 P 0.00 4.49 0.00 2.34 2.11 0.00 3.50 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 2.02 2.22 0.00 1235 Y 8.83 4.09 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.48 0.00 1.53 1.03 0.84 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1237 L 7.83 3.92 0.00 1.94 1.82 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 1238 T 7.75 3.76 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 1.13 0.00 0.00 1239 M 7.63 3.81 0.00 1.67 1.59 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 1240 A 7.62 3.84 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 1241 K 8.24 4.02 0.00 1.87 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 1242 K 7.76 4.05 0.00 1.75 1.80 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 1243 A 7.85 4.16 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 1244 L 7.62 4.03 0.00 1.88 1.58 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.