NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.6403 8.3049 120.6174 55.5071 33.7573 174.2922 1002 D 5.0666 8.6615 124.2156 50.7271 44.1141 170.1919 1003 V 5.0012 8.6602 122.7696 60.1791 35.3976 174.0984 1004 A 4.7341 8.9518 123.3063 50.5513 22.7552 175.3477 1005 G 4.1429 8.4891 106.9641 44.6011 0.0000 171.6324 1006 L 4.6250 7.9014 122.9444 53.7460 45.9298 174.1039 1007 T 5.0767 8.4983 119.1279 60.5781 70.9111 172.2264 1008 D 4.7570 8.9121 124.9793 52.9535 44.5078 175.9675 1009 C 4.1176 8.9367 125.1772 60.6901 32.0355 173.9148 1010 G 3.9376 8.7415 105.5620 45.9215 0.0000 172.5325 1011 L 4.4355 8.0791 116.9103 55.1516 42.3503 177.5431 1012 I 4.3191 7.6411 117.5808 62.6555 39.2202 176.6402 1013 R 4.1897 7.7109 117.1720 55.9000 30.5705 176.9968 1014 K 4.2054 8.5892 120.7127 58.7489 32.4915 177.5724 1015 S 4.6302 7.6031 110.4103 56.3583 66.0372 172.5748 1016 N 5.0009 8.5655 119.6195 52.1524 39.1612 174.3835 1017 Q 4.6198 8.5737 123.4365 55.9126 29.9123 175.2082 1018 D 5.1675 8.6919 120.2305 54.0435 42.8074 175.2088 1019 A 4.9167 9.1286 121.5777 51.1525 23.1414 175.0269 1020 F 5.4978 8.3455 112.8860 56.2948 41.2712 172.9279 1021 Y 4.6887 9.4579 120.2010 56.2712 42.5002 173.3707 1022 I 4.3893 7.3037 126.2794 59.1775 40.0078 175.7213 1023 D 4.0362 7.7721 126.7670 54.0523 39.1676 176.2186 1024 E 3.9336 7.9790 125.4025 58.2159 30.2324 178.8198 1025 K 3.9740 8.1189 119.3465 59.1532 32.2865 177.0145 1026 H 4.8135 8.5234 111.8226 54.5940 29.9970 173.5291 1027 Q 3.3991 7.8629 117.6433 56.9799 27.0496 174.8569 1028 R 4.6343 8.2288 117.4826 57.5995 32.1627 177.1077 1029 F 5.3488 6.5888 111.7979 55.7529 41.6453 173.4442 1030 F 5.3374 9.2404 117.9599 56.4024 43.7499 173.6908 1031 I 5.3577 9.4593 123.4090 59.8010 41.6455 174.3847 1032 V 5.1308 9.1884 125.6778 61.1686 35.1081 174.0490 1033 A 5.1352 9.3032 127.8354 49.2638 22.9648 174.4442 1034 D 5.2072 8.5503 121.9460 51.4847 42.9671 175.8281 1035 G 4.2221 8.9044 114.2258 46.4066 0.0000 172.6259 1036 M 4.8398 9.1154 118.2386 52.7591 32.4212 174.9534 *1040 A 4.2510 7.8584 135.0000 52.4135 20.4173 178.4644 1041 G 3.7804 8.0935 111.9271 47.9607 0.0000 174.6633 1042 G 3.8381 8.0088 109.1183 46.9223 0.0000 175.1764 1043 E 3.9640 8.1268 121.2686 59.0716 29.6669 178.4285 1044 E 3.9542 7.9559 119.3362 58.9797 29.6311 178.6510 1045 A 3.9844 8.2778 121.3856 55.2063 18.4611 179.8299 1046 S 4.1167 8.2166 112.8999 61.4056 62.9774 176.7112 1047 R 3.8419 8.0617 122.3444 59.2070 29.7910 178.4819 1048 L 3.9859 8.3127 118.9875 57.6802 41.5355 179.3590 1049 A 3.8899 8.3362 121.0752 55.0979 18.2664 179.8530 1050 V 3.4946 7.8956 116.7350 66.3480 31.5850 178.0058 1051 D 4.2095 8.3130 118.9266 57.6835 40.5699 178.5833 1052 H 4.1111 8.5150 117.0397 58.5969 28.6770 177.9772 1053 I 3.5887 7.8961 121.8594 64.2137 36.9276 178.1951 1054 R 3.6653 8.1006 119.8482 59.8109 29.8723 178.6237 1055 Q 4.1813 8.2810 117.9346 58.8695 28.6249 178.1237 1056 Y 3.8296 8.1734 120.8425 60.5719 38.8724 178.0522 1057 L 3.8943 7.9834 120.0042 57.8064 41.4068 179.2122 1058 E 4.0407 8.1307 117.7021 59.9174 29.4646 179.3558 1059 T 3.9625 7.7397 114.6229 65.8247 68.8296 175.7804 1060 H 4.8946 7.8150 116.7903 54.4836 29.5300 176.2741 1061 L 3.9302 7.8425 123.8515 58.2122 41.7498 178.5354 1062 E 3.9677 8.0552 116.6252 59.7527 29.2732 178.7567 1063 D 4.5745 8.1040 118.2689 56.2512 41.0246 177.5307 1064 L 4.7148 8.1647 117.0274 54.1060 42.8185 178.0804 1065 Q 4.2928 8.2512 118.2014 58.6635 28.5563 177.2846 1066 H 4.4175 8.1700 113.1867 57.3073 29.2830 175.0432 1067 D 4.5858 7.9475 120.5903 50.7050 40.8840 173.6278 1068 P 3.9041 0.0000 0.0000 65.0683 31.4744 178.8557 1069 V 3.3252 6.9177 117.5475 66.0274 31.4332 177.9535 1070 T 3.7846 7.6692 115.4735 66.3768 68.1740 176.3188 1071 L 3.9814 7.9388 122.3190 58.2983 42.0768 179.1460 1072 L 4.0613 8.1223 119.2042 57.7633 41.4539 179.6602 1073 R 3.7995 8.2980 118.4652 59.4687 29.9309 179.2243 1074 Q 3.7406 8.3078 117.8053 58.4475 28.5885 178.5973 1075 A 3.2947 7.8483 122.1179 55.0513 18.3789 179.7504 1076 F 3.9111 8.5320 116.4745 60.6468 38.8987 178.0056 1077 L 4.0087 8.3541 118.7975 57.3007 41.3131 179.2620 1078 A 3.9165 8.0788 121.1137 55.0830 18.3057 179.5353 1079 A 3.8037 7.8695 119.1812 55.1533 18.3637 179.2256 1080 N 4.1663 8.3830 115.9400 57.2567 38.9711 176.5284 1081 H 4.1812 8.5947 119.6789 59.2586 30.0775 177.0181 1082 A 3.8112 8.0834 122.6405 55.0799 17.9843 179.7525 1083 I 3.7048 7.6412 118.4888 64.4201 37.2686 178.7506 1084 V 4.0112 7.9973 120.8046 65.5390 31.0987 177.9722 1085 E 3.9880 8.2431 117.9888 59.4837 29.3336 179.0528 1086 Q 4.1184 7.7887 116.8963 58.8167 28.8994 178.0089 1087 Q 4.3078 8.5434 122.0895 57.9472 28.5109 177.4713 *1088 R 4.5575 7.3215 120.3446 54.9611 30.3286 178.7993 *1089 Q 4.2581 9.0278 125.2531 57.6192 27.9812 176.1181 *1090 N 5.1066 7.9660 115.2657 52.1240 39.1587 176.9969 *1091 S 4.4436 7.8707 115.4360 58.4828 65.1638 177.4817 1092 A 3.9686 9.1072 130.7714 52.0706 16.6684 178.7458 *1093 R 4.3628 7.8682 112.2078 56.4911 29.7223 184.4831 1094 A 3.9371 7.3314 122.5659 55.9641 18.8304 178.7040 1095 D 4.8607 7.8226 111.5803 52.9155 40.0580 176.3772 1096 M 4.3554 7.8669 117.8893 56.2126 31.7860 175.3221 1097 G 4.2314 8.5782 106.4634 46.3765 0.0000 171.4998 1098 T 5.2583 8.6967 113.4653 60.8144 70.8842 173.1938 1099 T 4.8738 8.8737 117.4448 61.6500 70.9855 173.0281 1100 A 4.9870 9.1666 122.7449 50.7209 23.1098 175.6553 1101 V 5.0959 9.2711 114.2757 59.6565 35.6952 175.0718 1102 V 5.1272 9.3316 124.0396 61.3442 35.4389 173.8681 1103 I 5.1781 9.0694 127.8591 59.5461 40.0922 174.0772 1104 L 5.3514 9.2620 129.4449 53.4243 44.1861 175.1196 1105 L 5.2441 9.3374 127.4507 53.7413 42.9734 176.5671 1106 D 4.7466 9.0572 123.2686 52.9336 40.1010 176.0060 1107 E 4.1083 9.0129 119.6058 59.3018 29.6464 178.0510 1108 K 4.0043 8.0274 118.4739 57.6682 32.4101 177.5359 1109 G 4.0896 9.4014 106.6466 45.0124 0.0000 173.0092 1110 D 5.0538 8.0487 118.2968 52.7407 41.0493 175.1269 1111 R 4.9106 8.2202 118.5791 55.0970 33.7672 173.2972 1112 A 5.1529 8.9347 128.4818 50.0416 21.3995 175.2853 1113 W 4.7186 9.6155 124.0943 56.5718 30.7176 175.4023 1114 C 5.3412 9.3973 123.4266 58.0228 30.0129 172.8775 1115 A 5.3376 9.2506 125.7293 50.5311 22.1177 174.3407 1116 H 5.5040 8.8817 115.6422 54.6485 32.7322 172.8356 1117 V 4.3947 9.4148 119.5767 62.7276 34.2656 172.3277 1118 G 4.1649 8.8678 114.4504 44.2206 0.0000 174.2949 1119 D 4.9288 8.6298 125.2498 52.9961 40.4178 176.2699 1120 S 4.5936 7.9265 115.7477 59.0233 64.3496 173.2334 1121 R 4.7999 9.1339 120.9036 54.4535 34.3179 174.4642 1122 I 5.0394 8.1533 121.5664 59.8934 40.1274 174.4653 1123 Y 5.2659 9.2924 123.7621 56.1535 42.0118 174.4528 1124 R 5.1832 9.0225 121.6200 54.3646 33.4871 173.9459 1125 W 5.2708 9.5559 135.0000 55.7642 34.0656 174.2442 1126 R 4.2327 8.3794 128.5448 55.9522 33.3409 175.6904 *1127 K 3.9578 8.4865 128.1518 55.7959 29.0141 171.8486 1128 D 4.7889 6.1620 114.4212 55.1282 38.5190 174.3429 1129 Q 4.5385 7.1250 118.1506 53.7317 31.6836 174.0265 1130 L 5.2605 8.4055 123.2705 53.3023 45.0376 175.0985 1131 Q 4.6510 9.2145 126.4357 54.2303 32.3625 173.6925 1132 Q 3.7713 8.8246 128.0055 56.1326 29.1780 175.2332 1133 I 4.1429 8.5805 128.5155 63.7167 38.0073 177.0049 1134 T 4.1092 7.5493 109.9623 60.8927 69.8022 173.7929 1135 S 4.6045 8.1262 119.0544 56.4969 64.3428 174.1551 1136 D 4.5130 8.5588 125.6186 55.2103 41.4287 177.4161 1137 H 4.6280 8.8050 122.9960 54.6393 27.3853 174.2848 1138 T 4.8197 7.1975 111.6324 58.8167 72.1691 176.0786 1139 W 4.3672 8.1028 123.1572 60.2023 29.6143 178.2254 1140 I 3.9111 8.1169 118.5324 64.3766 36.8563 178.0096 1141 A 4.0060 7.9821 124.3227 55.8550 18.3908 179.2283 *1142 Q 3.9895 7.9605 113.3778 56.7795 28.2962 179.0097 1143 A 3.7471 8.1000 122.8522 53.2261 16.0229 177.7920 *1160 R 4.1413 7.5724 120.7551 56.6646 31.0884 174.9492 *1161 H 4.7341 8.6585 111.8221 57.0744 30.6968 176.5213 1162 V 4.1553 6.9785 116.4412 61.5433 32.7726 177.5686 1163 L 4.6325 7.6932 121.6583 54.2515 42.8483 177.4376 1164 S 3.5088 7.9681 119.0002 59.0993 64.1090 174.9440 1165 Q 4.5775 7.3371 118.8122 53.6922 31.8386 178.5690 1166 C 4.9627 8.0591 113.2804 56.6393 32.6018 173.8595 1167 L 4.1515 8.6806 121.6973 56.0142 41.7903 177.9173 1168 G 4.0821 9.0096 108.8699 45.9490 0.0000 173.1362 1169 R 4.6469 7.8014 120.0084 54.2691 32.8358 177.6142 1170 E 4.0150 9.0429 120.7501 59.4729 29.9264 175.3099 *1171 D 4.8133 7.8064 115.9152 53.1988 40.2796 179.2565 1172 L 4.0527 7.7410 126.2372 56.9825 41.9941 177.1027 *1173 S 4.7121 8.5719 121.8680 58.0821 64.7273 170.4951 1174 Q 4.3752 7.7239 118.2786 55.0080 31.5589 173.8437 1175 I 4.2119 8.0348 125.3441 59.2470 38.7964 174.3200 1176 D 4.6206 8.2852 126.3197 54.0101 41.8916 175.9883 1177 I 5.2948 8.2279 123.4771 59.7017 41.0397 174.5810 1178 Q 4.8135 9.3735 124.3079 54.1914 32.1779 172.0393 1179 P 4.5479 0.0000 0.0000 61.7271 33.0649 175.0105 1180 I 4.5092 8.2541 115.0745 59.2307 40.5425 174.2569 1181 D 5.0418 8.6652 125.5277 53.8436 41.8430 175.6097 1182 L 5.0501 8.6223 121.5997 53.0691 44.8462 175.9086 1183 E 4.7512 9.1934 121.1089 53.4620 32.3831 174.1268 1184 P 4.4352 0.0000 0.0000 64.5912 31.7385 177.1585 1185 G 4.0800 8.7646 111.0821 45.2627 0.0000 173.6443 1186 D 4.9270 8.1008 119.8429 54.5965 42.2737 175.6174 1187 R 5.1959 9.5066 119.9425 54.5060 34.0220 174.6187 1188 L 5.2642 8.8536 121.9289 52.8937 45.0767 175.1991 1189 L 5.1570 9.0528 124.5860 53.2915 45.2468 174.7966 1190 L 5.4042 8.9031 126.6829 53.2865 44.0479 175.3127 1191 C 5.3493 9.0899 117.7280 56.7921 33.6466 173.7641 1192 S 5.0348 9.0118 115.8654 56.8939 64.5899 174.6679 1193 D 4.9941 8.2889 120.8612 54.6226 38.9489 178.2439 1194 G 4.2064 7.9466 108.1120 46.6949 0.0000 175.2194 1195 L 4.1272 8.0372 123.2772 58.3663 42.3674 178.6335 1196 T 4.3413 7.7077 109.2855 62.9147 68.9792 175.5481 1197 E 4.2632 8.2561 120.4969 57.7354 29.7777 176.7981 1198 E 4.4348 8.0806 117.1748 56.6579 31.3372 176.1064 1199 L 4.6154 7.9608 119.2803 52.5580 43.9878 176.5012 1200 T 4.2027 8.1560 113.6441 61.4723 70.8522 175.1878 1201 D 4.2753 8.5886 121.3134 57.6932 40.6137 178.7363 1202 D 4.3547 8.0413 117.9950 57.3303 41.2184 178.7044 1203 V 3.6457 7.6563 118.1725 65.9877 31.5854 177.9802 1204 I 3.7303 7.7871 119.6322 64.6728 36.7120 178.2952 1205 S 4.2451 8.0207 112.6680 61.4405 62.4881 176.0324 1206 I 3.8365 7.4757 122.1175 64.5826 36.8379 178.0632 1207 Y 4.1791 7.5586 117.0412 60.8252 37.5568 177.8781 1208 L 3.7944 7.6793 118.5082 56.1686 41.6506 178.5610 1209 S 3.8292 7.2598 113.3491 58.0142 63.4958 173.8552 1210 E 3.9450 7.2620 124.7737 55.5246 29.6687 174.3345 1211 P 4.2311 0.0000 0.0000 65.3553 31.7413 176.6799 1212 N 4.6554 8.2261 117.1534 52.5147 39.9336 176.2121 1213 V 3.5524 8.2737 121.6824 64.1899 31.7900 178.5850 1214 Q 3.9205 8.0500 117.7620 58.9189 28.5785 178.6454 1215 K 3.9597 8.4338 119.2893 59.1520 31.9309 179.3686 1216 A 3.8806 8.2088 121.1275 54.9645 18.3220 179.4616 1217 A 3.7625 8.0617 119.1723 55.3429 18.4218 179.7539 1218 A 3.8368 7.8369 118.8968 55.1994 18.4138 179.7583 1219 A 3.7070 8.1198 119.5471 54.9350 18.2909 179.8897 1220 L 3.4586 7.8002 117.7977 57.7491 41.7159 179.9170 1221 V 3.4644 7.4746 118.0385 66.0952 31.3970 177.7887 1222 D 4.2807 8.2877 118.8139 57.3000 40.6393 178.7038 1223 A 3.9631 8.2189 121.4739 54.9295 18.2435 179.4366 1224 A 3.9540 8.1216 119.5392 55.3031 18.3354 180.1209 1225 K 3.9786 8.1260 116.8721 59.9660 31.9568 179.5538 1226 T 3.8338 7.9841 115.1929 66.9158 68.4721 175.3526 1227 H 4.5873 8.7713 115.2388 56.1436 29.1476 175.3997 1228 G 3.8914 9.0634 118.1596 44.4552 0.0000 173.4305 1229 G 4.0400 8.0824 109.7528 46.5461 0.0000 174.9755 1230 R 4.0899 8.5991 117.4868 57.4551 30.8258 176.1496 1231 D 4.9493 7.5591 116.7673 51.8550 45.6092 173.8586 1232 N 4.9116 9.0588 118.5781 53.2081 39.8647 174.5401 1233 V 4.5694 9.0205 121.9367 60.3729 35.0901 174.5146 1234 T 5.0393 8.6363 119.9489 61.9248 72.8570 173.3427 1235 V 4.9581 8.6405 118.0084 59.5584 36.4980 174.5348 1236 V 4.6158 8.7703 123.6927 61.0252 34.5605 174.1788 1237 V 4.7000 8.9583 128.0196 61.0808 34.1008 174.0478 1238 I 4.7703 8.6773 128.6924 59.4386 40.3768 174.2177 1239 S 5.0062 9.1401 122.2821 56.4226 64.5865 174.0479 1240 V 3.9164 8.6596 126.5662 63.1920 31.4444 175.5696 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 4.64 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 1002 D 8.66 5.07 0.00 2.60 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 1003 V 8.66 5.00 2.07 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 0.85 0.00 0.00 0.97 0.00 0.00 1004 A 8.95 4.73 1.14 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 0.00 0.00 0.00 0.00 0.00 1005 G 8.49 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 1006 L 7.90 4.63 0.00 1.57 1.26 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1007 T 8.50 5.08 4.47 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 1.42 0.00 0.00 1008 D 8.91 4.76 0.00 2.68 2.40 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 1009 C 8.94 4.12 0.00 3.01 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 1010 G 8.74 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 1011 L 8.08 4.44 0.00 1.77 1.72 1.00 0.84 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 1012 I 7.64 4.32 2.06 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 1.42 0.88 0.92 0.00 0.00 1013 R 7.71 4.19 0.00 1.89 1.87 0.00 3.38 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 1014 K 8.59 4.21 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 1015 S 7.60 4.63 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1016 N 8.57 5.00 0.00 2.72 2.80 0.00 0.00 7.25 7.08 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 1017 Q 8.57 4.62 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 1018 D 8.69 5.17 0.00 2.90 2.66 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 1019 A 9.13 4.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 5.50 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 Y 9.46 4.69 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1022 I 7.30 4.39 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 1.01 0.00 0.00 1023 D 7.77 4.04 0.00 1.58 1.75 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 1024 E 7.98 3.93 0.00 1.90 1.93 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 2.30 2.13 0.00 1025 K 8.12 3.97 0.00 1.60 1.78 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 0.95 7.81 1026 H 8.52 4.81 0.00 3.30 3.27 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1027 Q 7.86 3.40 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 1028 R 8.23 4.63 0.00 1.97 2.14 0.00 3.39 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 1029 F 6.59 5.35 0.00 3.22 3.12 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 1030 F 9.24 5.34 0.00 3.08 3.03 0.00 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 1042 G 8.01 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 0.00 0.00 0.00 1043 E 8.13 3.96 0.00 2.06 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 2.39 2.51 0.00 1044 E 7.96 3.95 0.00 2.03 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 2.30 2.32 0.00 1045 A 8.28 3.98 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 1046 S 8.22 4.12 0.00 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 R 8.06 3.84 0.00 1.96 2.20 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 1048 L 8.31 3.99 0.00 1.90 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 1049 A 8.34 3.89 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 1050 V 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 1059 T 7.74 3.96 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 0.80 0.00 0.00 1060 H 7.82 4.89 0.00 3.01 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 L 7.84 3.93 0.00 2.01 1.66 0.96 1.01 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 1062 E 8.06 3.97 0.00 1.95 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 2.30 2.34 0.00 1063 D 8.10 4.57 0.00 2.80 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 1064 L 8.16 4.71 0.00 1.80 1.56 0.94 0.68 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 1065 Q 8.25 4.29 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 1066 H 8.17 4.42 0.00 3.28 3.48 0.00 5.66 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.87 0.00 0.00 1214 Q 8.05 3.92 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 1215 K 8.43 3.96 0.00 2.02 1.82 0.00 1.78 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 1.46 1.33 7.81 1216 A 8.21 3.88 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 1217 A 8.06 3.76 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 1218 A 7.84 3.84 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 1219 A 8.12 3.71 1.16 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 0.00 0.00 1220 L 7.80 3.46 0.00 1.69 1.57 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 1221 V 7.47 3.46 1.97 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 0.97 0.00 0.00 0.88 0.00 0.00 1222 D 8.29 4.28 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1223 A 8.22 3.96 1.16 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 0.00 0.00 1224 A 8.12 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1225 K 8.13 3.98 0.00 1.95 1.85 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.55 7.81 1226 T 7.98 3.83 4.43 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 1.16 0.00 0.00 1227 H 8.77 4.59 0.00 3.36 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1228 G 9.06 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1229 G 8.08 4.04 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 0.00 0.00 0.00 1230 R 8.60 4.09 0.00 2.19 2.01 0.00 3.23 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 1231 D 7.56 4.95 0.00 2.75 2.45 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 1232 N 9.06 4.91 0.00 2.71 2.89 0.00 0.00 7.10 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 1233 V 9.02 4.57 2.07 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 0.74 0.00 0.00 0.92 0.00 0.00 1234 T 8.64 5.04 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 1.21 0.00 0.00 1235 V 8.64 4.96 1.97 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 0.60 0.00 0.00 0.77 0.00 0.00 1236 V 8.77 4.62 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 1.08 0.00 0.00 0.90 0.00 0.00 1237 V 8.96 4.70 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 0.78 0.00 0.00 0.81 0.00 0.00 1238 I 8.68 4.77 1.63 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.26 0.69 0.00 0.00 1239 S 9.14 5.01 0.00 3.78 3.68 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 1240 V 8.66 3.92 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.