NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1005 R 4.1906 8.2549 120.8526 55.2204 31.2570 174.8574 1006 P 4.5887 0.0000 0.0000 60.7218 31.9921 172.4104 1007 E 4.9634 8.8781 121.9324 53.7068 33.8095 172.8660 1008 P 5.5189 0.0000 0.0000 62.4764 32.2654 175.2933 1009 R 4.5926 8.0912 115.9536 55.1996 32.6125 173.2117 1010 L 4.7668 8.5312 123.2835 55.0451 42.8203 175.8141 1011 I 5.3345 8.7616 118.4655 59.3527 42.1947 173.6764 1012 T 5.0394 8.8683 119.1749 61.9746 71.1710 173.3656 1013 I 4.8643 8.6133 127.5083 59.5708 39.9038 174.5333 1014 L 5.3405 8.6685 127.4474 53.2996 45.5128 174.8985 1015 F 5.3450 9.3288 124.5042 55.7005 42.2882 174.1364 1016 S 5.1703 8.9703 117.6730 56.5084 65.4347 172.2074 1017 D 5.0031 8.9103 125.7532 52.6969 44.8123 174.1952 1018 I 4.5114 8.2137 127.1845 61.1653 37.7258 176.0947 1019 V 3.7856 9.1776 127.6770 61.7692 33.1622 176.5909 1020 G 4.3453 8.9549 111.3498 46.1832 0.0000 174.9276 1021 F 4.0654 7.7262 123.6653 61.6279 38.9210 176.6556 1022 T 3.8010 8.0240 113.7413 67.3967 68.4627 175.5621 1023 R 3.8613 8.2101 120.2511 59.0761 29.7581 178.4056 1024 M 3.9323 7.6814 120.3825 58.0531 31.3913 177.9967 1025 S 3.6847 7.2239 113.6060 59.2528 62.5835 173.1085 1026 N 4.7639 7.5363 119.2131 52.9919 41.2642 174.5875 1027 A 3.8416 8.7804 124.9353 52.2302 16.5847 178.1040 1028 L 4.4007 7.2595 117.1943 53.4742 44.2394 176.8094 1029 Q 2.9098 8.1285 114.0613 56.6128 28.8261 173.6169 1030 S 3.4707 7.3851 105.4441 60.9072 62.6907 175.2061 1031 Q 4.0321 8.4291 121.0953 59.4860 29.2027 179.4326 1032 G 4.0641 7.9265 106.9973 47.4018 0.0000 175.5423 1033 V 3.5162 8.3987 121.7030 65.3358 31.4503 178.0019 1034 A 3.9727 8.4456 120.8350 55.1339 18.2848 179.1896 1035 E 3.8841 8.5421 118.3142 59.2651 29.7273 178.8130 1036 L 3.7920 8.0376 120.3999 57.9734 42.0953 178.4062 1037 L 3.8922 7.9797 120.2288 58.5204 42.1540 178.5592 1038 N 4.2441 8.4518 116.4946 56.4578 38.5616 177.3560 1039 E 4.0241 8.2361 119.3179 59.5524 29.7452 178.2905 1040 Y 4.3700 8.7580 120.0467 61.2542 38.7822 178.6001 1041 L 3.9578 8.4658 119.8349 57.4357 41.4179 179.6921 1042 G 3.6232 7.8756 105.6347 47.7426 0.0000 175.6937 1043 E 3.9326 7.9428 120.3952 59.5156 29.5926 179.1156 1044 M 3.8685 7.5290 118.8172 58.7319 31.8728 179.0685 1045 T 3.5299 7.9567 109.8145 64.4223 68.9102 176.7071 1046 R 3.7857 7.4740 121.3679 59.1151 29.9356 178.3621 1047 A 3.9752 8.1952 121.0447 54.9998 18.3413 179.8489 1048 V 3.5810 7.4946 116.6723 66.2924 31.7832 178.2867 1049 F 4.5725 8.1422 117.8748 60.8406 38.5058 177.5851 1050 E 4.1445 8.2645 117.2572 58.8405 29.2457 177.6959 1051 N 4.8869 7.7918 115.1279 53.1672 39.7495 175.2869 1052 Q 3.5274 7.7463 115.9427 56.8770 26.9612 174.0795 1053 G 3.6150 8.3188 106.5245 45.4550 0.0000 173.5652 1054 T 4.7394 7.7925 115.4286 61.5819 72.0382 174.2526 1055 V 4.0024 8.6640 126.5991 61.8997 31.1979 175.1022 1056 D 4.5682 9.1384 129.2457 55.8379 41.8586 175.9226 1057 K 4.3607 7.2593 114.4988 56.4580 35.4816 172.7681 1058 F 5.3321 8.6469 118.9821 55.9893 41.3562 176.5888 1059 V 4.2967 8.6195 122.0780 61.4922 33.0796 176.9885 1060 G 3.8967 8.1727 119.8107 46.8001 0.0000 171.8663 1061 D 4.4103 8.8126 122.0951 52.5032 39.4025 175.3471 1062 A 5.1104 7.9302 121.6618 51.0072 22.0883 176.5983 1063 I 4.8820 9.2036 119.9485 59.6596 41.4148 174.7447 1064 M 4.4283 8.6841 124.6965 53.8075 34.6725 173.8376 1065 A 5.1164 8.5154 128.2347 50.1870 22.3874 175.0268 1066 L 5.2878 8.6102 119.3918 53.1249 46.1888 175.4009 1067 Y 4.7306 8.9285 118.2687 57.5814 41.3594 176.3987 1068 G 4.1224 10.2515 111.4945 45.3345 0.0000 173.0961 1069 A 4.7665 7.3453 120.8973 50.2805 21.9458 174.6794 1070 P 4.4691 0.0000 0.0000 64.0518 31.8911 176.0681 1071 E 4.3281 7.8566 119.6183 54.6313 30.0614 175.3118 1072 E 3.8932 8.6347 124.3232 57.1245 30.0812 175.8643 1073 M 4.8149 8.1676 123.4918 52.7791 35.6749 174.9465 1074 S 4.3134 8.5817 120.5369 57.5620 65.1145 173.2744 1075 P 4.1639 0.0000 0.0000 66.2377 31.0739 179.0518 1076 S 3.5556 7.9530 112.9169 61.3966 62.7729 176.4031 1077 E 3.8544 7.8562 120.8918 59.5250 29.2818 178.9676 1078 Q 3.9664 8.4009 118.2721 59.4818 28.7663 179.9211 1079 V 3.3135 7.1187 118.6376 65.7792 31.5451 177.9637 1080 R 3.7625 7.8544 118.6829 59.5258 29.7807 178.7893 1081 R 3.8270 8.0645 117.6322 59.0704 30.0700 178.6165 1082 A 3.0805 7.0084 120.4429 55.0831 18.1242 179.8453 1083 I 3.5873 7.7612 117.9637 64.3613 37.0973 178.3951 1084 A 3.9873 7.9466 121.6457 55.4985 18.1774 179.7778 1085 T 3.7966 8.6767 114.4538 66.8004 68.4582 176.6045 1086 A 4.0900 8.1300 122.6232 55.4941 18.1970 179.9821 1087 R 3.9692 8.2126 115.7408 59.1288 30.3320 178.9056 1088 Q 4.1047 8.3321 119.8559 59.4470 29.1565 177.7552 1089 M 4.0618 8.6267 120.0732 58.6549 32.1365 178.7139 1090 L 4.0972 8.0078 118.9245 57.9823 41.8895 179.8157 1091 V 3.6259 7.7192 117.4560 65.8228 31.4060 177.9825 1092 A 4.0868 7.8531 120.3067 54.7969 18.3536 179.1335 1093 L 4.1112 8.2204 119.2643 58.2586 42.1754 179.0727 1094 E 3.9943 8.1685 117.4003 59.1905 29.4805 179.0394 1095 K 4.0120 7.6672 119.1323 58.9890 32.3043 178.8446 1096 L 3.3452 8.1783 119.6839 57.4870 41.3164 179.2168 1097 N 4.8007 8.0217 116.3512 55.9423 38.2393 176.8727 1098 Q 4.2126 7.4075 118.6347 57.9244 29.2375 177.3328 1099 G 3.6578 7.3937 105.7946 46.6288 0.0000 175.5088 1100 W 4.7145 8.3682 121.1174 58.7518 29.2409 178.6421 1101 Q 4.1754 8.2218 120.0735 59.0187 28.3546 177.4649 1102 E 4.3429 8.0029 116.9923 56.7687 30.9753 177.2609 1103 R 4.5648 7.9538 115.6947 54.8034 33.2435 177.6494 1104 G 4.0819 8.1276 105.7007 45.8958 0.0000 175.4691 1105 L 4.0620 7.4976 118.2104 56.3503 41.5933 177.4156 1106 V 4.0223 7.9646 118.3023 64.8528 33.3920 174.7482 1107 G 4.0643 8.3917 117.9460 46.2200 0.0000 172.7116 *1110 E 4.1850 8.2988 125.9024 55.3024 31.4151 176.2420 1111 V 4.3203 7.4080 117.2913 60.5464 34.4202 173.4513 1112 P 4.9449 0.0000 0.0000 60.8143 32.5565 173.2376 1113 P 4.5988 0.0000 0.0000 62.6528 31.9731 175.1062 1114 V 4.3625 9.4989 119.0128 61.5497 32.7862 175.0487 1115 R 4.9937 8.3883 124.5238 54.3560 34.4582 174.0562 1116 F 5.5810 8.2257 114.8367 55.3875 42.1955 173.3414 1117 R 5.0763 9.2561 119.0703 54.7743 32.7349 174.8135 1118 C 5.4865 9.1011 122.9007 57.6110 35.0798 172.7762 1119 G 4.6211 9.1982 112.3217 44.5672 0.0000 171.4843 1120 I 5.3402 8.6749 124.2018 59.9427 41.4482 173.9838 1121 H 5.2469 9.0709 123.8004 55.0884 33.9908 171.7188 1122 Q 4.8339 7.9189 123.0636 54.7548 31.7671 174.4755 1123 G 4.1390 8.1885 111.9282 47.0662 0.0000 172.1053 1124 M 5.0501 8.7902 118.8228 55.2410 33.5673 176.0774 1125 A 4.4741 7.9981 118.4863 51.0932 23.7415 176.2320 1126 V 3.9441 8.6153 122.3298 62.7569 32.2005 174.9098 1127 V 4.5833 9.6409 129.0244 60.7409 33.9027 176.4746 1128 G 4.3531 7.3751 112.8651 45.0080 0.0000 170.7188 1129 L 4.8635 8.0332 120.5090 54.2092 42.1970 176.5154 1130 F 4.7428 10.1085 123.1192 55.8304 42.1652 174.6178 1131 G 3.8793 8.0905 110.3391 44.7338 0.0000 171.5242 1132 S 4.8185 8.8306 117.6594 56.4067 65.6104 174.5956 1133 Q 4.1327 8.5386 117.2294 57.1361 28.6112 176.6445 1134 E 4.4067 7.4487 116.8118 57.1075 31.1941 176.2633 1135 R 4.5703 7.7586 118.6400 55.5626 33.2984 174.0318 1136 S 5.1720 8.6558 120.7612 57.0053 66.1784 173.0032 1137 D 5.1444 9.2437 121.9661 52.3867 45.0442 174.4647 1138 F 5.1230 8.8308 123.4702 58.2136 40.4973 174.5042 1139 T 5.0312 8.3387 118.8795 61.6371 71.3478 171.1428 1140 A 4.8561 8.1751 123.1309 50.0125 21.4743 175.8730 1141 I 4.2959 9.2907 122.4125 59.1513 40.8989 174.7523 1142 G 4.5955 8.9294 111.0105 42.6356 0.0000 172.2087 1143 P 4.2281 0.0000 0.0000 65.9300 30.6707 178.9305 1144 S 4.2528 8.1836 113.1394 61.7635 62.6742 176.9127 1145 V 3.7386 7.8998 120.6453 66.2110 31.3652 177.7229 1146 N 4.2743 8.2316 115.7173 56.4608 38.3203 177.3186 1147 I 3.6716 7.8609 120.8974 64.2194 37.2705 178.1627 1148 A 4.0859 8.0363 121.0623 55.1944 18.2125 179.5704 1149 A 3.0221 8.1794 119.1392 55.2295 18.4504 179.9260 1150 R 3.8185 8.3242 116.7972 59.3862 29.9276 179.3404 1151 L 3.9426 8.5521 118.9063 57.9224 41.4742 179.1742 1152 Q 4.0424 7.7275 117.7950 59.5345 29.0081 178.1656 1153 E 4.1000 8.0243 118.2388 58.9685 29.5991 178.5184 1154 A 4.2210 7.7801 119.1241 52.8947 18.9425 177.4805 1155 T 4.1999 6.8352 111.5203 60.7779 68.4579 174.0727 1156 A 4.2962 8.2024 128.0116 50.6065 19.2473 175.8928 1157 P 4.1705 0.0000 0.0000 64.3946 32.1270 176.0102 1158 N 3.8920 8.8432 117.9642 53.3194 36.0625 173.0659 1159 S 4.6657 7.0931 111.9314 57.5161 67.4759 174.9487 1160 I 4.9785 8.3513 120.9789 59.8109 40.1066 174.1668 1161 M 5.0284 9.4201 128.0088 54.1279 34.3784 175.3264 1162 V 5.2489 9.0952 120.2955 59.2400 35.4822 174.9920 1163 S 5.0565 8.3258 115.7356 56.8944 65.6257 175.2569 1164 A 3.9802 8.2962 120.7781 55.6995 17.7238 179.5727 1165 M 3.9596 8.1700 115.5700 58.6633 32.2655 178.7711 1166 V 4.0096 7.4264 117.3129 65.8976 31.9697 177.8448 1167 A 4.0766 8.5437 121.0422 55.2549 17.8295 179.4627 1168 Q 4.1005 7.8514 115.1632 58.9171 28.5149 176.8794 1169 Y 4.4289 7.7319 116.5698 57.5445 38.2072 174.9629 1170 V 4.3789 7.7867 121.1496 59.9362 33.5228 173.7090 1171 P 4.3375 0.0000 0.0000 62.7264 31.8613 177.0562 1172 D 4.6149 8.8684 122.5044 57.0388 41.0753 178.5706 1173 E 3.9366 8.1582 119.1181 58.9221 29.9292 176.8759 1174 E 4.3446 8.6937 117.2835 56.2499 29.4134 175.8214 1175 I 4.5138 7.2000 121.6116 59.6015 36.5853 175.5621 1176 I 3.8229 8.2049 127.4774 63.7738 37.3490 177.3245 1177 K 4.3957 7.7666 121.7396 55.4565 35.0267 174.4917 1178 R 4.9366 8.2982 128.1492 54.3629 32.2650 174.8380 1179 E 4.9954 8.0387 124.7794 55.6477 33.8043 176.0096 1180 F 4.8319 8.9356 125.0331 58.0492 40.3785 174.6008 1181 L 4.6853 8.9304 119.6441 53.7343 46.5898 174.5573 1182 E 4.6377 8.8616 123.0243 55.7682 30.4961 176.0632 1183 L 4.7494 8.3464 123.5798 52.3390 44.5550 175.9234 1184 K 4.2094 8.3810 121.2686 58.0093 32.1590 177.8040 1185 G 3.9138 9.1638 113.0033 44.9485 0.0000 172.6262 1186 I 4.3423 7.0310 120.1957 59.2778 37.9845 174.8784 1187 D 4.3174 8.3218 126.8109 57.4797 41.2059 176.4034 1188 E 4.0436 7.8422 119.4513 55.5478 30.0532 175.3212 1189 P 4.3180 0.0000 0.0000 63.4233 31.9343 176.1595 1190 V 4.1857 8.5279 124.0186 62.2351 33.2596 174.9251 1191 M 4.2977 8.6264 126.7116 54.7636 32.6347 174.8134 1192 T 4.6152 8.3863 117.2739 60.8690 71.6723 174.0176 1193 C 4.8686 8.9937 120.7262 58.1672 32.4109 173.4821 1194 V 4.4310 8.8536 126.3268 62.3519 31.9991 175.8324 1195 I 4.7514 8.2635 122.3434 59.6712 39.6678 174.6093 1196 N 4.7797 8.6706 122.2025 52.2437 38.8768 173.6536 1197 P 4.4288 0.0000 0.0000 64.5259 31.7968 175.8777 1198 N 5.0130 7.7215 116.6021 51.3442 41.2797 174.0632 1199 M 4.1981 8.5948 120.3742 55.8876 32.3651 175.7963 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 1005 R 8.25 4.19 0.00 1.75 1.87 0.00 3.19 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 1006 P 0.00 4.59 0.00 1.88 1.73 0.00 3.49 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.70 0.00 1007 E 8.88 4.96 0.00 2.03 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 0.00 2.21 2.26 0.00 1008 P 0.00 5.52 0.00 2.13 2.12 0.00 3.44 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 1009 R 8.09 4.59 0.00 1.89 2.05 0.00 3.01 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 1010 L 8.53 4.77 0.00 1.69 1.64 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 1011 I 8.76 5.33 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.67 1.00 0.00 0.00 1012 T 8.87 5.04 4.27 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 1.20 0.00 0.00 1013 I 8.61 4.86 1.94 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 1.11 0.82 0.71 0.00 0.00 1014 L 8.67 5.34 0.00 1.76 1.57 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 1015 F 9.33 5.35 0.00 3.07 2.88 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 1016 S 8.97 5.17 0.00 3.66 3.56 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 1017 D 8.91 5.00 0.00 2.88 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1018 I 8.21 4.51 1.89 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.26 0.90 0.00 0.00 1019 V 9.18 3.79 2.13 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 0.79 0.00 0.00 0.96 0.00 0.00 1020 G 8.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 F 7.73 4.07 0.00 2.94 3.08 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 1022 T 8.02 3.80 4.23 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 1.18 0.00 0.00 1023 R 8.21 3.86 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.18 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 1024 M 7.68 3.93 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.43 0.00 1025 S 7.22 3.68 0.00 3.59 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 1026 N 7.54 4.76 0.00 2.72 2.52 0.00 0.00 7.00 7.76 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 1027 A 8.78 3.84 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 1028 L 7.26 4.40 0.00 1.69 1.45 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 1029 Q 8.13 2.91 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.38 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 1030 S 7.39 3.47 0.00 3.90 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 1031 Q 8.43 4.03 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 1032 G 7.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.40 3.52 2.17 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 1.11 0.00 0.00 0.78 0.00 0.00 1034 A 8.45 3.97 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 1035 E 8.54 3.88 0.00 2.14 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 0.00 2.49 2.37 0.00 1036 L 8.04 3.79 0.00 1.42 1.51 0.13 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 1037 L 7.98 3.89 0.00 2.10 1.62 0.75 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1038 N 8.45 4.24 0.00 2.85 2.88 0.00 0.00 7.13 7.77 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 1039 E 8.24 4.02 0.00 2.60 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.17 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 1116 F 8.23 5.58 0.00 3.15 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1117 R 9.26 5.08 0.00 1.88 2.12 0.00 3.11 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 1118 C 9.10 5.49 0.00 3.39 3.15 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 1119 G 9.20 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1120 I 8.67 5.34 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.31 0.92 0.00 0.00 1121 H 9.07 5.25 0.00 3.26 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1122 Q 7.92 4.83 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 1123 G 8.19 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 1124 M 8.79 5.05 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 1125 A 8.00 4.47 1.20 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 1126 V 8.62 3.94 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 1.10 0.00 0.00 1.00 0.00 0.00 1127 V 9.64 4.58 2.17 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 0.97 0.00 0.00 0.98 0.00 0.00 1128 G 7.38 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1129 L 8.03 4.86 0.00 1.64 1.64 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1130 F 10.11 4.74 0.00 3.07 2.96 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 0.00 0.00 0.00 1131 G 8.09 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 0.00 0.00 0.00 1132 S 8.83 4.82 0.00 4.09 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 1133 Q 8.54 4.13 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 1134 E 7.45 4.41 0.00 1.94 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 2.26 2.26 0.00 1135 R 7.76 4.57 0.00 1.94 1.77 0.00 3.13 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 1136 S 8.66 5.17 0.00 3.99 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 1137 D 9.24 5.14 0.00 2.62 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 1138 F 8.83 5.12 0.00 3.00 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 1139 T 8.34 5.03 4.12 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 0.98 0.00 0.00 1140 A 8.18 4.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.29 4.30 1.48 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.13 0.76 0.00 0.00 1142 G 8.93 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.19 2.16 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 1144 S 8.18 4.25 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1145 V 7.90 3.74 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 1.27 0.00 0.00 0.97 0.00 0.00 1146 N 8.23 4.27 0.00 3.01 2.84 0.00 0.00 7.10 7.76 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 1147 I 7.86 3.67 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.72 0.00 0.00 1148 A 8.04 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 1149 A 8.18 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1150 R 8.32 3.82 0.00 1.92 1.98 0.00 3.51 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 1151 L 8.55 3.94 0.00 1.91 1.75 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 1152 Q 7.73 4.04 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 1153 E 8.02 4.10 0.00 2.10 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 0.00 2.29 2.38 0.00 1154 A 7.78 4.22 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 1155 T 6.84 4.20 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1156 A 8.20 4.30 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1157 P 0.00 4.17 0.00 2.18 2.10 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 1158 N 8.84 3.89 0.00 2.81 2.80 0.00 0.00 6.80 8.34 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 1159 S 7.09 4.67 0.00 3.86 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 1160 I 8.35 4.98 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.97 0.00 0.00 1161 M 9.42 5.03 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 1162 V 9.10 5.25 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 0.97 0.00 0.00 1.01 0.00 0.00 1163 S 8.33 5.06 0.00 3.94 4.03 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 1164 A 8.30 3.98 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 1165 M 8.17 3.96 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 1166 V 7.43 4.01 2.30 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 1.06 0.00 0.00 0.99 0.00 0.00 1167 A 8.54 4.08 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 1168 Q 7.85 4.10 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 1.85 1.39 0.00 1169 Y 7.73 4.43 0.00 2.94 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 1170 V 7.79 4.38 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 0.81 0.00 0.00 1.03 0.00 0.00 1171 P 0.00 4.34 0.00 2.22 1.97 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 1172 D 8.87 4.61 0.00 2.69 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 1173 E 8.16 3.94 0.00 1.92 1.98 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 2.29 2.33 0.00 1174 E 8.69 4.34 0.00 2.16 1.94 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 2.29 2.27 0.00 1175 I 7.20 4.51 2.03 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 1.48 0.80 0.89 0.00 0.00 1176 I 8.20 3.82 2.02 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 1.18 0.46 0.91 0.00 0.00 1177 K 7.77 4.40 0.00 1.83 1.61 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 1178 R 8.30 4.94 0.00 1.79 1.72 0.00 3.29 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 1179 E 8.04 5.00 0.00 2.09 1.72 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 2.06 2.13 0.00 1180 F 8.94 4.83 0.00 3.01 2.93 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 1181 L 8.93 4.69 0.00 1.59 1.53 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1182 E 8.86 4.64 0.00 1.86 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 2.29 2.35 0.00 1183 L 8.35 4.75 0.00 1.67 1.53 0.91 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 1184 K 8.38 4.21 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.37 7.81 1185 G 9.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1186 I 7.03 4.34 1.87 0.00 0.00 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 1.29 0.96 0.92 0.00 0.00 1187 D 8.32 4.32 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 1188 E 7.84 4.04 0.00 1.97 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 2.31 2.28 0.00 1189 P 0.00 4.32 0.00 1.79 2.02 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 1190 V 8.53 4.19 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 1.00 0.00 0.00 1.00 0.00 0.00 1191 M 8.63 4.30 0.00 2.01 1.41 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 1192 T 8.39 4.62 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 1.22 0.00 0.00 1193 C 8.99 4.87 0.00 2.81 2.82 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 0.00 0.00 0.00 0.00 1194 V 8.85 4.43 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 0.96 0.00 0.00 0.94 0.00 0.00 1195 I 8.26 4.75 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.93 0.00 0.00 1196 N 8.67 4.78 0.00 2.90 2.88 0.00 0.00 7.21 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1197 P 0.00 4.43 0.00 2.21 2.16 0.00 3.75 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 1.98 1.98 0.00 1198 N 7.72 5.01 0.00 2.64 2.73 0.00 0.00 6.92 7.51 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 1199 M 8.59 4.20 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.