NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1007 V 4.0967 8.1545 117.9084 60.3852 34.1217 177.3710 1008 S 4.4618 7.9535 118.1150 62.9027 62.7002 180.3483 1009 G 3.8298 8.1482 110.6823 48.3236 0.0000 176.2080 1010 I 3.8587 7.9158 124.9018 64.7769 35.4507 180.8073 1011 S 4.2329 7.9405 117.4635 63.9842 62.4944 181.3438 1012 A 4.3551 7.8448 126.6344 55.3708 18.0499 179.8551 *1013 Y 4.2751 8.8559 122.0458 61.9732 37.0186 182.3491 1014 L 4.6388 7.4596 123.5236 59.5465 41.6712 184.4338 1015 L 4.4059 7.9072 121.9574 59.2335 40.6763 182.4388 1016 G 3.9281 8.1737 106.6622 48.3201 0.0000 176.3109 1017 L 4.3601 7.8688 126.4565 59.4583 40.9322 183.7511 1018 I 4.0041 7.7649 121.6349 65.9969 35.3661 182.9574 *1019 W 4.3577 7.8048 123.6055 61.4215 28.0850 179.6878 1020 G 4.0215 8.0636 107.3866 46.3952 0.0000 174.7688 1021 D 5.1845 8.3143 118.8204 50.7250 41.9433 176.7762 1022 G 4.1268 7.0751 116.1968 46.0966 0.0000 173.7231 1023 G 4.2978 7.7613 117.0820 44.7322 0.0000 171.2890 1024 L 5.1411 7.9490 122.5926 53.0817 43.2985 175.7841 *1025 Y 4.7652 8.4681 124.4457 55.1386 41.1053 174.1071 1026 K 4.9777 8.3447 127.7249 54.1619 30.9606 177.0697 1027 L 4.1598 7.9891 130.8915 55.1483 43.7704 178.9242 *1032 N 4.8611 8.8405 113.4963 54.8700 37.8091 170.2874 1033 R 4.7231 7.9367 123.6173 55.5816 33.7661 173.3200 1034 S 4.6804 7.9473 113.2815 60.5475 65.8002 173.7416 1035 E 4.9448 8.5007 113.9334 58.4286 34.4840 170.9248 *1036 Y 4.9812 8.4281 124.6376 56.2289 40.6594 175.5556 1037 R 5.1758 9.0177 125.3619 55.0681 34.7212 173.3450 1038 V 4.3132 8.6070 121.0443 60.8260 34.2900 176.3303 1039 V 4.7506 8.7676 128.7331 59.6935 34.9508 173.8664 1040 I 4.8243 8.5463 125.3485 59.5715 38.7109 174.6832 1041 T 4.8614 9.4408 126.3555 61.1748 69.4851 172.3854 1042 Q 4.5244 9.6941 127.0925 54.6132 32.5934 174.9855 1043 K 4.1104 9.1155 129.1785 58.8383 31.5573 177.8604 1044 S 4.3253 8.0545 119.7486 58.4559 63.3156 177.3769 1045 E 4.4607 8.7709 123.8837 60.9726 29.9761 179.7030 1046 N 4.6765 8.1682 121.6359 58.0855 37.5715 180.5819 1047 L 4.4109 8.0947 126.4258 60.1161 40.8757 182.0464 1048 I 4.1610 7.7030 121.9258 65.7111 35.5150 182.1376 1049 K 4.3862 8.1553 127.7627 60.2342 31.5881 181.5839 1050 Q 4.5211 8.5583 122.2588 59.5716 28.4179 180.5008 *1051 F 4.7705 7.8072 115.9906 58.8996 41.0118 181.7436 1052 I 3.8154 7.8607 122.1753 64.7011 35.1526 179.6837 1053 A 4.2298 8.2718 124.5688 55.1813 18.4084 178.2227 1054 P 4.4392 0.0000 0.0000 68.1741 30.7560 181.2450 1055 R 4.2251 7.7184 122.5706 62.1434 29.4408 181.2655 1056 M 4.3799 8.2399 123.6334 59.8743 31.3534 180.9504 1057 Q 4.3838 7.9353 121.9923 60.9067 28.2336 184.0525 *1058 F 4.2937 8.3943 124.1405 62.6471 38.0643 181.5822 1059 L 4.2377 7.9829 125.0367 60.1611 40.8289 181.8245 1060 I 3.7896 7.9209 123.7719 65.6355 35.2031 180.5298 1061 D 4.6138 8.0631 123.7063 58.9302 39.5891 182.1658 1062 E 4.0926 8.4476 118.4259 59.5005 29.7481 180.7865 1063 L 4.0914 8.7016 120.0626 55.0180 41.4284 178.9618 1064 N 4.1413 7.5843 116.2401 54.8868 33.6732 182.0394 1065 V 4.2284 8.4490 120.9347 59.5352 32.3124 179.2806 1066 K 4.1538 8.9081 131.1585 57.4044 31.6273 175.6964 1067 S 4.3406 7.2386 116.3995 58.8966 62.7028 176.7617 1068 K 4.7250 8.2522 122.8384 53.7106 34.5348 177.8250 1069 I 4.1445 8.3528 124.7275 60.9120 36.3344 174.9294 1070 Q 4.7521 9.2012 127.8219 54.0876 32.9605 174.2579 1071 I 4.7576 8.2964 119.2853 60.6999 37.6168 175.1979 1072 V 4.3373 8.6288 129.9806 59.9717 33.8390 174.1153 1073 K 4.5843 8.6346 127.7553 53.5707 32.8754 175.4814 1074 G 4.3859 8.4286 118.0455 44.3640 0.0000 173.3740 1075 D 4.4868 8.9599 120.0418 56.7333 40.0684 174.2057 1076 T 4.6749 7.6146 109.0487 60.3453 71.0228 175.3370 1077 R 4.6349 7.5826 122.7147 58.3292 34.0017 178.1196 *1078 Y 5.0896 9.0945 120.7204 57.8678 39.7710 174.5772 1079 E 5.0221 9.0921 122.6363 54.7956 33.8173 174.9661 1080 L 4.7833 8.8532 130.9884 54.4257 42.3401 173.3769 1081 R 5.0977 9.0440 126.6002 54.7157 34.0704 172.2414 1082 V 4.5462 8.4880 124.8254 59.5169 35.0569 173.6344 1083 S 5.3184 8.6691 128.4274 57.7457 62.9518 171.7599 1084 S 4.4340 8.3168 121.8322 56.5825 65.6146 174.7129 1085 K 4.0327 8.8527 133.4874 59.3937 31.2961 176.4088 1086 K 4.2586 8.0928 125.8999 60.4732 31.7258 181.5276 1087 L 4.4510 8.0132 125.6986 59.6021 40.9150 180.7998 *1088 Y 4.3816 8.0610 123.2998 63.5170 36.7877 182.3677 *1089 Y 4.3468 7.8442 124.3133 61.9697 36.8229 179.9824 *1090 Y 4.3021 7.5121 122.0636 62.4547 37.0309 182.9467 *1091 F 4.7155 7.8690 119.0388 60.6274 39.2544 181.2009 1092 A 4.2417 8.0326 122.8827 56.1455 18.5089 179.9042 1093 N 4.5214 8.5188 119.7100 58.4421 37.8101 179.9956 1094 M 4.3796 8.2213 124.3627 60.2537 30.9127 181.3354 1095 L 4.3322 8.2124 124.6904 60.2872 40.7390 183.2124 1096 E 4.4377 8.1857 119.6171 61.3395 29.8529 182.3388 1097 R 4.5978 7.6673 119.5677 59.2834 29.9915 182.3666 1098 I 4.0696 7.4361 123.9527 63.3738 35.8941 182.8275 *1100 L 4.5187 7.9105 121.3621 54.6299 42.9004 179.5916 *1101 F 4.2157 8.8229 121.1538 58.5770 38.8622 181.0629 1102 N 5.2188 8.2617 128.6054 50.4742 38.6225 173.9704 1103 G 3.8087 9.4877 112.0048 47.8798 0.0000 174.9297 1104 N 4.4885 9.8136 131.0053 58.2817 37.8364 178.3172 1105 R 4.4682 8.2016 121.7236 61.2767 29.7041 181.8703 *1106 F 4.8651 8.6115 120.9472 61.5196 39.6762 184.1387 1107 L 4.2806 7.6897 121.4424 59.3421 40.7828 181.9368 1108 A 4.2605 8.7693 124.5015 55.9038 18.3723 180.0488 *1109 Y 4.7548 7.8751 122.5925 62.2352 36.9505 180.7804 1110 L 4.1815 8.4142 124.4555 59.1824 40.9405 180.9893 1111 A 4.2661 8.4971 122.5644 55.2277 18.1526 179.8841 1112 G 3.8075 8.0999 106.4468 48.0487 0.0000 176.1198 1113 I 4.1673 7.8492 124.5788 65.5467 35.4772 182.3003 1114 V 3.9615 8.1140 123.5762 66.5826 31.3311 181.0701 1115 D 4.8833 8.4386 120.3976 57.0195 39.7414 179.3118 1116 G 3.9849 8.0468 106.5461 46.3497 0.0000 173.6930 1117 D 4.8674 8.0606 117.1130 53.3055 42.0290 179.5253 1118 G 4.6032 8.0330 109.8496 47.5041 0.0000 175.8593 1119 S 4.7646 8.5047 115.5564 58.9782 65.7145 170.8949 1120 I 4.3710 8.3481 126.3260 60.2457 35.5333 175.1200 1121 I 4.6374 8.3501 127.8752 57.9955 38.7094 172.7599 1122 A 4.8531 8.5346 128.0888 51.1944 21.3208 176.1082 1123 Q 4.6473 9.1935 124.3749 55.0497 33.0595 171.5583 1124 I 4.7331 8.5396 123.7104 59.3334 37.5446 175.6692 1125 K 4.6956 8.6732 133.7135 52.1872 34.8077 170.9717 1126 P 4.9074 0.0000 0.0000 62.6614 31.6839 174.2999 1127 N 4.8572 9.5471 127.3409 51.5112 41.0393 173.0481 1128 Q 4.0811 9.1681 126.4312 57.3523 28.4047 175.0483 1129 S 4.3296 8.1912 113.4689 61.0494 62.7690 179.3656 *1130 Y 4.6413 7.7549 120.2908 56.1560 38.5018 182.9326 1131 K 3.9205 8.9415 126.9037 58.4403 31.9766 178.8250 *1132 F 4.4956 8.2266 119.0797 56.3731 38.0166 179.4039 1133 K 4.0893 8.4743 123.4363 57.1508 30.4418 178.4862 *1134 H 5.4783 8.2971 117.3413 54.9261 32.0045 178.9060 1135 Q 4.6878 9.2515 125.1658 53.8642 30.3854 174.8012 1136 L 4.5943 8.6775 129.3863 54.6564 42.3136 174.0717 1137 S 4.6589 8.8739 123.1514 57.4153 66.6644 172.3234 1138 L 5.3083 8.6436 129.0658 53.3264 44.8112 173.0586 1139 T 4.8445 8.4462 117.0041 60.8814 73.3345 172.9802 *1140 F 4.7316 8.9629 130.6875 56.5998 39.7059 172.1321 1141 Q 5.2672 8.7254 125.1271 53.1289 32.6992 173.4830 1142 V 4.7138 8.1876 121.1553 61.5757 33.9936 175.4153 1143 T 4.4368 8.5925 123.1117 61.9022 69.5114 173.4737 1144 Q 4.6869 9.0830 124.2968 54.8920 32.8811 175.0121 1145 K 4.0826 8.8228 123.9902 56.1230 32.2005 179.7343 1146 T 3.9800 8.8410 117.8638 64.0263 68.7590 174.3201 1147 E 4.1517 8.3960 119.0736 60.0162 28.8799 183.3867 1148 R 4.5926 7.7958 118.3663 56.8821 29.0882 181.5958 1149 R 4.1471 8.3869 123.8914 60.4976 30.0407 181.3411 *1150 W 4.4314 7.2228 118.4688 56.1602 25.9028 179.3986 *1151 F 4.7526 7.4682 118.7582 57.6477 45.0359 176.6305 1152 L 4.6089 8.2869 121.8579 53.1840 41.9450 182.0036 *1155 L 4.3827 8.2557 127.9344 54.1621 43.1715 179.1688 1156 V 3.8636 7.7297 119.9806 66.5825 31.0982 182.6232 1157 D 4.5592 8.0705 120.9491 58.9885 40.0244 183.2978 1158 E 4.3815 8.0832 120.7347 61.8621 29.9821 181.3880 1159 I 4.0611 7.5117 120.2439 64.1925 35.5022 177.7428 1160 G 4.4349 7.9989 111.4923 46.0778 0.0000 175.0597 1161 V 4.3093 7.2716 116.1703 58.8446 34.5545 176.4829 1162 G 4.1287 8.3682 113.5087 47.1383 0.0000 171.6598 *1163 Y 4.8696 7.7560 120.0291 57.3094 41.6998 170.4689 1164 V 4.9978 7.9279 120.2785 60.1144 36.2836 176.9096 1165 R 4.4320 8.0271 116.3100 58.3177 33.2760 173.9364 1166 D 4.8165 9.0745 126.0905 52.9505 40.9975 172.7949 1167 R 4.6222 8.5238 119.3922 58.1270 37.5442 176.5534 *1170 V 4.2104 7.5618 116.7921 61.7998 33.2759 176.0190 1171 S 5.1695 8.4594 115.1631 60.4905 66.9169 170.2095 1172 D 5.3132 8.8311 121.3497 53.8144 44.8434 175.4814 *1173 Y 4.7844 8.3297 122.2134 56.8816 38.9274 176.2370 1174 I 4.9276 9.2996 127.6318 58.4943 39.3582 172.1463 1175 L 4.8674 8.6942 130.2043 53.4824 42.8567 175.7395 1176 S 4.9615 8.5823 121.2111 56.9193 63.6185 173.9992 1177 E 4.0278 8.1030 119.6050 57.3330 29.4016 182.4713 1178 I 3.7331 8.2156 128.0800 64.4907 34.9683 174.9218 1179 K 4.1824 8.3184 124.9183 60.4053 32.0171 179.4956 1180 P 4.5576 0.0000 0.0000 67.7716 30.6495 180.9035 1181 L 4.2649 8.1841 124.8804 60.3479 40.5900 181.5519 *1182 H 4.5103 8.2128 121.3048 60.0847 27.7905 179.6011 1183 N 4.8173 8.1087 123.8329 58.1337 37.4971 181.0141 *1184 F 4.4310 8.4966 126.0433 62.2299 38.0186 180.0558 1185 L 4.3261 8.7667 125.3738 60.3287 40.4994 182.6109 1186 T 4.3618 7.6394 115.0761 65.8614 68.4977 178.8099 1187 Q 4.6693 7.7138 121.3071 58.7250 28.8713 181.7985 1188 L 4.9548 7.6066 123.0969 58.1655 43.4136 184.3308 1189 Q 4.3117 8.5678 122.4406 61.0881 27.7983 182.5026 1190 P 4.6772 0.0000 0.0000 66.6582 30.8992 179.7673 *1191 F 4.8061 7.8514 118.2105 59.5200 39.3187 182.2752 1192 L 4.3947 7.3904 119.5558 55.6270 41.5087 182.0828 1193 N 4.7491 8.9295 121.7066 53.9016 38.7558 174.8590 *1194 F 4.3554 7.3012 120.3302 58.9631 38.8354 179.6639 1195 K 4.4658 7.9227 121.6125 55.8538 31.7797 181.7373 1196 Q 4.3009 8.6670 128.0627 61.5856 27.4258 182.3074 1197 K 4.2010 8.1736 127.6639 60.6697 31.7453 181.6729 1198 Q 4.3975 8.0529 120.4885 58.7181 27.8173 180.2376 1199 A 4.2063 7.8454 122.9050 56.8511 18.5072 180.1713 1200 N 4.3994 8.2419 119.8284 58.0354 37.7397 179.5309 1201 L 4.2636 7.7408 125.5695 60.4385 40.8553 183.1853 1202 V 3.9836 7.8067 122.6007 66.2851 31.4556 181.1082 1203 L 4.2871 7.7590 124.8531 59.7877 40.5379 182.7793 1204 K 4.2222 8.6001 126.4764 60.3867 31.7784 181.5837 1205 I 4.1430 7.6343 122.6543 65.7316 35.5188 180.7047 1206 I 4.1694 7.9848 123.3719 64.6352 35.3552 178.8669 1207 E 4.7397 8.1416 120.0714 59.0948 31.2516 182.3163 *1209 L 4.6007 7.9600 123.3527 55.2237 43.2344 180.5852 1210 P 4.4574 0.0000 0.0000 65.1084 30.7372 179.9671 1211 S 4.4757 7.9704 111.0130 59.5249 62.9234 179.2948 1212 A 4.3108 7.9335 123.0503 55.8543 19.1539 180.8302 1213 K 4.1541 8.1648 121.7879 54.6193 30.7701 180.3129 *1215 S 4.4188 8.0181 121.9983 60.4185 65.0147 174.5896 1216 P 4.5263 0.0000 0.0000 67.4450 30.5825 177.7244 1217 D 4.6154 8.1325 123.2152 58.8079 39.9278 180.8983 1218 K 4.2318 8.2090 127.6013 60.3713 31.6661 181.4202 *1219 F 4.3771 8.2460 124.0438 62.1615 37.8164 180.4664 1220 L 4.2714 7.8065 124.7056 60.0339 40.5549 182.1916 1221 E 4.2341 8.3528 121.2335 61.8447 29.9475 181.7389 1222 V 4.0641 7.9753 123.0969 66.7175 31.5049 180.7075 1223 C 4.4725 8.3167 122.3001 63.7897 27.2004 178.7547 1224 T 4.2131 8.4240 119.1883 66.3540 67.9532 179.9327 *1225 W 4.3454 8.1701 127.0715 61.9985 28.3736 182.9267 1226 V 3.9882 7.8240 121.4756 66.5211 31.0077 181.7965 1227 D 4.6023 8.0680 122.9174 59.3408 39.7119 182.6396 1228 Q 4.3092 7.8501 124.4563 60.8279 28.2185 181.4502 1229 I 3.9373 7.8242 122.0730 64.8363 35.3408 179.9145 1230 A 4.3755 7.8769 120.9732 54.2058 18.2691 179.1378 1231 A 4.2249 8.2609 121.9636 55.5246 18.8749 180.1314 1232 L 4.1819 8.1568 122.1319 58.5616 41.1707 180.1377 1233 N 4.9739 7.0228 114.8599 52.3256 38.9882 180.9808 1234 D 4.7686 8.4012 118.3123 53.9829 39.1425 178.6608 1235 S 4.3741 7.9026 119.3645 60.0292 63.1923 176.2603 1236 K 4.7511 8.5726 123.7264 56.5176 38.6656 177.4129 1237 T 4.5505 7.8763 111.9207 61.0062 68.6041 177.5922 1238 R 4.2701 7.8587 122.5793 58.3465 30.0715 179.3956 1239 K 4.7988 8.2922 120.3922 57.7685 40.0629 179.4870 1240 T 4.3033 7.7025 115.1301 60.4239 66.5650 176.4336 1241 T 4.2475 7.6044 122.6467 60.7290 70.2652 177.7245 1242 S 4.3108 8.8064 121.2631 65.5702 62.2122 176.1951 1243 E 4.3589 8.2996 124.0114 61.5243 28.9970 181.5348 1244 T 4.2078 7.7314 116.2408 67.0474 68.3711 181.7244 1245 V 4.2264 7.9769 124.0646 66.2426 31.5904 182.2123 1246 R 4.0983 7.8555 119.5802 61.4387 29.1566 181.5327 1247 A 4.2491 7.8346 123.1937 56.0348 18.4312 180.5538 1248 V 3.8078 7.2022 118.9334 66.7233 31.6762 180.5700 1249 L 4.3589 7.5878 123.8984 60.1975 40.8676 180.5771 1250 D 4.9178 8.2333 125.6191 55.6964 39.8956 178.4226 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 1007 V 8.15 4.10 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 0.90 0.00 0.00 0.93 0.00 0.00 1008 S 7.95 4.46 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 G 8.15 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 0.00 0.00 0.00 1010 I 7.92 3.86 1.87 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 1.50 0.70 0.91 0.00 0.00 1011 S 7.94 4.23 0.00 3.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 A 7.84 4.36 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 *1013 Y 8.86 4.28 0.00 2.29 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 0.00 0.00 0.00 0.00 1014 L 7.46 4.64 0.00 1.57 1.69 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1015 L 7.91 4.41 0.00 1.68 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 1016 G 8.17 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 0.00 0.00 0.00 1017 L 7.87 4.36 0.00 1.67 1.68 0.92 0.96 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 1018 I 7.76 4.00 1.87 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 0.54 0.91 0.00 0.00 *1019 W 7.80 4.36 0.00 2.63 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 1020 G 8.06 4.02 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 0.00 1021 D 8.31 5.18 0.00 2.58 2.57 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 1022 G 7.08 4.13 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 0.00 0.00 0.00 1023 G 7.76 4.30 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 0.00 1024 L 7.95 5.14 0.00 1.66 1.43 0.92 0.65 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 *1025 Y 8.47 4.77 0.00 1.97 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 0.00 0.00 0.00 0.00 1026 K 8.34 4.98 0.00 1.50 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.97 7.81 1027 L 7.99 4.16 0.00 1.30 1.61 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *1032 N 8.84 4.86 0.00 2.76 2.73 0.00 0.00 6.16 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 1033 R 7.94 4.72 0.00 1.77 1.67 0.00 3.27 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 1034 S 7.95 4.68 0.00 3.57 3.64 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 1035 E 8.50 4.94 0.00 1.60 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0.00 1171 S 8.46 5.17 0.00 3.37 3.69 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 1172 D 8.83 5.31 0.00 2.28 2.48 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 *1173 Y 8.33 4.78 0.00 2.00 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 0.00 0.00 0.00 1174 I 9.30 4.93 1.87 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 1.09 0.67 0.91 0.00 0.00 1175 L 8.69 4.87 0.00 1.21 1.53 0.92 0.98 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 1176 S 8.58 4.96 0.00 3.61 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 1177 E 8.10 4.03 0.00 1.89 1.89 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 2.31 1.88 0.00 1178 I 8.22 3.73 1.87 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 1.50 0.53 0.91 0.00 0.00 1179 K 8.32 4.18 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0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1204 K 8.60 4.22 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 1205 I 7.63 4.14 1.87 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 1.10 0.91 0.00 0.00 1206 I 7.98 4.17 1.87 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 1.10 0.91 0.00 0.00 1207 E 8.14 4.74 0.00 2.05 1.84 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 2.21 2.18 0.00 *1209 L 7.96 4.60 0.00 1.59 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 1210 P 0.00 4.46 0.00 2.08 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 1211 S 7.97 4.48 0.00 3.62 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.31 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 1213 K 8.16 4.15 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *1215 S 8.02 4.42 0.00 3.75 3.81 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 1216 P 0.00 4.53 0.00 2.07 2.09 0.00 3.70 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 2.03 1.66 0.00 1217 D 8.13 4.62 0.00 2.68 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 K 8.21 4.23 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 *1219 F 8.25 4.38 0.00 2.30 2.33 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 1220 L 7.81 4.27 0.00 1.61 1.70 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 1221 E 8.35 4.23 0.00 2.03 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 2.27 2.21 0.00 1222 V 7.98 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 1223 C 8.32 4.47 0.00 2.84 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 1224 T 8.42 4.21 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 1.21 0.00 0.00 *1225 W 8.17 4.35 0.00 2.52 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 0.00 0.00 0.00 0.00 1226 V 7.82 3.99 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 0.75 0.00 0.00 0.93 0.00 0.00 1227 D 8.07 4.60 0.00 2.63 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 1228 Q 7.85 4.31 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 1229 I 7.82 3.94 1.87 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 1.45 0.54 0.91 0.00 0.00 1230 A 7.88 4.38 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.22 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 1232 L 8.16 4.18 0.00 1.76 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1233 N 7.02 4.97 0.00 2.81 2.63 0.00 0.00 6.90 7.94 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 1234 D 8.40 4.77 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.37 0.00 3.62 3.70 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 1236 K 8.57 4.75 0.00 1.72 1.66 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.00 7.81 1237 T 7.88 4.55 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 1.21 0.00 0.00 1238 R 7.86 4.27 0.00 1.82 1.75 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 1239 K 8.29 4.80 0.00 1.72 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.00 7.81 1240 T 7.70 4.30 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 1.21 0.00 0.00 1241 T 7.60 4.25 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 1.21 0.00 0.00 1242 S 8.81 4.31 0.00 3.73 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 1243 E 8.30 4.36 0.00 1.97 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 2.31 1.94 0.00 1244 T 7.73 4.21 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 1.21 0.00 0.00 1245 V 7.98 4.23 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 0.71 0.00 0.00 0.93 0.00 0.00 1246 R 7.86 4.10 0.00 1.81 1.96 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 1247 A 7.83 4.25 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 1248 V 7.20 3.81 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 0.77 0.00 0.00 0.93 0.00 0.00 1249 L 7.59 4.36 0.00 1.71 1.60 0.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1250 D 8.23 4.92 0.00 2.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.