NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 877 L 4.3830 8.1844 120.6394 55.0422 42.6128 176.7370 878 Y 4.6637 8.7112 127.7120 56.6239 41.0909 172.8187 879 H 5.1649 7.7166 122.6839 54.6006 32.7525 172.9947 880 Q 4.5624 8.7012 119.5644 55.0433 32.5999 173.4511 881 S 5.3541 8.5266 119.6032 57.5067 65.5869 172.2103 882 Y 4.7477 8.9155 117.8251 57.0600 42.2048 175.5838 883 D 4.7795 9.1126 117.9674 55.8157 42.7153 176.8943 884 C 4.9017 7.9685 116.8722 57.4984 29.6115 172.9087 885 V 4.4987 8.8484 122.9322 60.8736 34.6610 173.7322 886 C 5.1331 8.7296 127.5859 57.8094 33.0758 172.7952 887 V 4.3433 8.2901 126.8541 62.4577 33.3152 174.4901 888 M 5.1727 8.4794 125.1137 54.1534 35.5608 173.6452 889 F 4.7085 9.4003 124.9738 55.7994 41.1286 173.9261 890 A 4.8614 9.2056 127.2595 50.9417 20.0019 176.3300 891 S 5.0104 9.2497 118.6409 57.8897 66.5568 173.9556 892 I 5.0145 7.7341 120.0773 58.5538 37.1272 174.4817 893 P 4.3221 0.0000 0.0000 65.8568 31.8164 178.5034 894 D 4.4255 8.2963 116.1876 56.0850 40.6543 178.2446 895 F 4.4263 8.3824 122.0598 61.2487 39.2309 176.6101 896 K 3.9393 7.6469 117.9333 59.6697 31.9192 178.0162 897 E 4.1105 8.1571 118.2317 59.2913 29.8564 178.2155 898 F 4.3472 7.9137 118.8010 59.7433 39.5010 174.4656 899 Y 3.8942 7.4018 120.6315 57.1784 38.6042 174.4369 900 T 4.3003 7.3703 115.9120 59.4971 72.0221 172.5142 901 E 4.3587 8.2062 121.6120 54.1716 30.6114 174.1799 902 S 4.7356 8.0945 119.5168 56.1215 66.4494 174.7433 903 D 4.4361 8.5084 119.1322 56.3268 41.0889 178.2191 904 V 3.8738 7.7472 119.1157 65.1427 32.2425 176.8285 905 N 4.6212 7.9607 114.8863 52.3284 37.8093 174.8955 906 K 4.0484 8.2561 117.1535 58.5670 29.6226 175.1286 907 E 3.7223 9.4930 110.4606 57.6210 28.0305 176.7036 908 G 3.7146 8.9722 105.0403 45.7214 0.0000 176.1025 909 L 4.0430 7.8295 122.7157 58.0931 41.5269 178.6972 910 E 4.0643 8.3044 118.5574 59.6883 29.4856 179.2682 911 C 4.4808 8.0660 116.1371 63.0125 28.5387 175.9552 912 L 4.3681 8.0188 120.0800 57.2004 41.1660 179.5124 913 R 3.9962 7.9412 119.0961 59.1303 30.0371 178.1001 914 L 4.0201 7.8622 119.3694 58.0051 42.1357 178.6278 915 L 3.5780 7.9916 119.9873 57.9390 41.9399 178.3678 916 N 4.2207 7.9541 116.6425 56.7042 38.8479 176.6312 917 E 3.9022 7.8672 119.3219 59.4071 29.4335 179.3240 918 I 3.2564 7.4014 119.6372 64.4471 37.1182 178.6039 919 I 3.5211 7.4988 120.1618 63.9929 36.7582 178.3876 920 A 3.9841 7.7959 121.6333 55.4694 18.1279 179.5506 921 D 4.6623 7.8170 116.6596 56.4964 40.7303 178.5614 922 F 4.4379 7.8615 118.7848 60.1547 39.0747 177.6876 923 D 4.6250 8.4154 119.0361 57.2299 40.2609 177.9229 924 D 4.6700 8.4373 118.1896 54.9894 39.6192 178.1182 925 L 4.2407 7.8038 120.9952 57.5287 41.4530 178.6494 926 L 4.3557 7.8688 117.7964 57.0437 41.5596 178.8711 927 S 4.4628 7.7150 113.6035 59.4116 63.2555 174.9087 928 K 4.0590 7.8056 122.0977 55.9016 32.2119 175.9237 929 P 4.2212 0.0000 0.0000 65.5157 31.3981 177.8883 930 K 3.9759 7.7753 115.8108 58.8678 32.9283 177.2729 931 F 5.1936 7.8363 118.8723 57.3126 39.3533 178.1308 932 S 4.1770 8.4050 119.5854 61.2396 62.4568 175.5915 933 G 3.9097 8.0111 107.1251 45.2782 0.0000 172.8186 934 V 3.9879 7.4628 120.6496 62.2475 32.5705 175.4471 935 E 4.4637 8.9158 127.3584 53.9447 32.0123 175.0185 936 K 4.0683 8.4921 126.7528 56.8319 32.1879 176.4753 937 I 4.0845 8.0722 128.9971 62.4191 38.3031 175.8546 938 K 4.1388 6.5586 118.3423 57.1350 35.7700 172.9701 939 T 4.7962 8.1887 109.2859 60.2437 71.4870 173.5828 940 I 4.2340 9.0140 127.9579 59.9850 39.3020 178.0477 941 G 3.9464 9.2355 119.3974 46.5579 0.0000 173.3291 942 S 4.6217 9.1322 114.8410 58.0330 65.4259 173.8568 943 T 4.9111 8.4093 118.5917 62.7951 70.1988 173.1096 944 Y 4.5639 9.1676 129.6100 57.0510 40.4172 173.6098 945 M 5.2041 8.5413 126.2603 52.8334 35.1604 174.2538 946 A 4.9595 8.0521 125.3899 51.2691 23.5311 173.9102 947 A 5.5218 8.7212 119.3349 51.7321 23.3130 175.4941 948 T 4.9933 7.9120 108.0169 59.5960 72.3661 175.0624 949 G 3.9013 8.9665 110.3142 45.3399 0.0000 175.4892 950 L 3.6742 7.4332 118.3641 57.0930 41.8049 177.8608 951 S 4.4896 8.0029 112.2672 58.8515 63.8260 174.6090 952 A 4.5628 7.3223 126.5036 51.6972 18.6984 176.9375 *964 R 4.3135 8.1004 110.8504 56.0321 32.4154 176.1700 965 Q 4.5157 7.0743 112.5553 55.2789 30.3792 176.5286 966 Y 4.5910 7.6232 116.7756 60.1386 37.7806 177.3259 967 M 4.0338 7.8077 117.7788 58.8215 30.7855 178.2136 968 H 4.2951 8.2625 115.4921 58.4205 28.1426 177.6473 969 I 3.7714 7.9245 123.3178 64.2374 36.9639 178.5522 970 G 3.7594 8.0640 106.0472 48.0232 0.0000 175.7387 971 T 4.0329 8.0871 118.1323 66.7379 68.2244 176.3846 972 M 4.0533 7.6584 119.4855 58.4954 32.4832 178.2629 973 V 3.5577 7.3193 117.4791 65.9850 31.5309 177.8785 974 E 3.9411 8.0999 118.2881 59.3954 29.2627 179.1649 975 F 3.6406 8.3992 120.5154 60.6064 39.4068 177.2791 976 A 3.8167 7.9235 120.7930 55.2870 18.3078 179.1666 977 Y 4.2410 7.9847 114.6024 61.1320 37.9235 178.6372 978 A 3.9384 7.6982 121.7073 55.1022 18.4040 179.5873 979 L 3.0322 7.0983 117.4102 57.6611 41.4921 180.0170 980 V 3.6256 7.5058 117.7698 65.8370 30.9819 178.3861 981 G 3.5777 7.7843 105.1269 47.5513 0.0000 175.9082 982 K 4.1341 7.8691 120.8183 59.0569 32.0182 179.1574 983 L 4.1639 8.4401 120.9204 57.8273 42.0707 178.7133 984 D 4.3422 8.1755 119.1546 57.1219 40.2303 178.4200 985 A 3.9464 7.7043 120.1988 55.1965 18.3641 179.7807 986 I 3.7261 7.5334 117.6259 64.4243 37.2017 178.4957 987 N 4.3473 7.8465 117.6926 56.1936 38.1960 177.4262 988 K 3.7961 7.7348 119.5709 59.0525 32.2781 177.6768 989 H 4.5753 7.5767 114.1374 56.1129 29.4278 176.2528 990 S 4.7285 7.7049 113.8287 57.0417 63.9813 173.6810 991 F 3.6097 7.6432 119.8159 59.2043 36.2739 173.6052 992 N 4.9422 7.9822 118.5727 52.0720 42.0696 173.3985 993 D 4.6606 7.4570 114.2431 52.8500 41.3116 174.2501 994 F 4.7829 8.4381 118.9921 56.1992 40.6588 176.1764 995 K 4.7237 8.5933 123.5162 54.4208 35.5706 175.0037 996 L 4.8619 8.2489 123.3229 53.7780 44.4228 174.8634 997 R 4.9304 8.8440 125.8772 54.6269 32.6006 174.4616 998 V 4.8946 8.5940 126.1374 61.2651 35.0282 174.9848 999 G 4.2896 8.6732 111.4182 45.1026 0.0000 171.2875 1000 I 5.2189 8.5508 127.5235 59.3961 40.5123 174.6437 1001 N 5.3494 8.9982 122.6916 53.0399 43.0052 172.3937 1002 H 5.2714 8.6313 116.1695 53.6220 32.0876 173.4888 1003 G 4.1489 8.1889 104.8160 45.5146 0.0000 169.1524 1004 P 5.1534 0.0000 0.0000 62.4149 32.4024 176.0541 1005 V 4.7484 8.3536 114.5505 60.2595 36.9823 173.4494 1006 I 5.1885 9.1253 121.3424 59.7468 40.4330 175.1263 1007 A 4.8609 10.6000 127.2270 49.2165 22.4144 176.8139 1008 G 4.0312 6.8444 107.3486 45.9268 0.0000 171.5326 1009 V 4.9167 7.9469 118.1575 60.6613 33.8207 174.9141 1010 I 4.5534 7.9017 122.0099 60.5100 41.7558 176.0165 1011 G 3.9007 8.9783 109.1514 45.7845 0.0000 174.0971 1012 A 4.5618 8.3749 118.5149 52.6397 21.7092 176.7482 1013 Q 4.0371 7.8072 116.6622 57.5433 29.6814 175.6691 1014 K 4.7335 7.4836 117.7617 54.0406 36.0894 175.3005 1015 P 4.6148 0.0000 0.0000 61.5034 29.5985 175.7437 1016 Q 4.5164 7.6648 118.4556 54.2035 30.3615 174.8384 1017 Y 4.6032 8.5495 125.2309 57.7002 39.7172 173.9012 1018 D 4.4117 8.3940 125.0698 52.8905 45.4891 173.3743 1019 I 4.7889 7.1537 113.9905 58.6546 40.4630 174.6221 1020 W 4.9661 10.1859 123.2414 54.6770 33.4460 174.6251 1021 G 4.6582 8.7630 108.3669 43.4213 0.0000 173.8340 1022 N 4.5699 8.3302 119.4910 56.3117 38.3727 176.6550 1023 T 4.0819 7.9645 118.1623 66.1323 68.6335 176.3986 1024 V 3.7704 7.7494 119.3936 65.8837 31.6292 177.7313 1025 N 4.2932 7.8336 115.9417 56.3637 38.4282 177.6257 1026 V 3.6632 8.2200 119.8187 65.7394 31.1831 177.7160 1027 A 4.0662 8.2149 120.7049 55.4568 18.1561 179.5632 1028 S 3.1926 7.8356 111.1263 61.3546 62.2532 176.6443 1029 R 4.2227 7.5109 122.2130 58.8382 29.5736 178.6307 1030 M 4.2404 7.9007 117.1811 57.0581 32.1578 177.0599 1031 D 4.7584 7.3520 117.9956 55.8787 42.6290 178.2019 1032 S 4.2771 8.3546 113.9160 60.3939 63.1397 175.3057 1033 T 4.4866 7.6645 109.8050 61.2032 68.7373 174.2570 1034 G 4.0824 7.8472 112.0762 45.1301 0.0000 173.2500 1035 V 4.4750 7.9508 117.3366 60.2339 34.0314 174.8167 1036 L 4.0536 8.3721 125.0883 56.5420 41.9189 176.8327 1037 D 4.4651 8.7553 120.2308 54.8706 39.3574 173.5955 1038 K 4.6411 7.6575 117.8802 54.5817 35.9286 175.5583 1039 I 4.3197 8.3006 122.9597 59.7879 39.2793 174.1745 1040 Q 5.0170 8.9391 129.9163 55.4720 30.3547 175.0565 1041 V 5.3992 8.9201 119.0096 58.4336 36.2909 175.7970 1042 T 4.4198 8.3198 113.2720 60.9440 70.1577 175.2220 1043 E 3.9191 8.8451 121.5912 59.3664 29.6530 178.3208 1044 E 3.9454 8.3114 117.0253 60.0524 29.4153 179.1265 1045 T 3.8775 7.4505 116.9133 66.2005 68.5770 176.4963 1046 S 4.0322 7.7837 115.1128 61.3066 62.2343 176.3571 1047 L 3.8551 7.5271 121.0419 57.8165 41.2218 179.4503 1048 I 3.4674 7.1738 119.1309 64.4791 37.0187 178.5952 1049 L 4.0927 8.0072 119.6380 57.7941 41.4091 179.6287 1050 Q 4.4107 8.2034 119.6166 58.4042 28.4211 178.6012 1051 T 3.9931 7.7703 110.2567 64.4880 68.9526 176.0091 1052 L 4.3019 7.5199 119.6034 54.9683 41.8765 177.5089 1053 G 3.9616 7.5560 106.8647 45.1953 0.0000 173.3090 1054 Y 4.6655 8.0763 118.1205 57.2061 40.4710 174.3790 1055 T 4.8307 8.5788 115.9285 62.2169 72.1846 173.2116 1056 C 5.5826 8.7455 121.2663 58.4327 32.6860 173.4101 1057 T 4.8070 8.9917 115.8946 61.9508 72.4120 173.3741 1058 C 3.7053 8.9131 127.3091 59.5645 31.5489 173.1994 1059 R 3.8877 7.9698 126.5071 56.6493 30.7005 175.1212 1060 G 3.5975 7.7038 103.3624 44.2091 0.0000 171.1160 1061 I 4.8033 7.9637 119.6927 59.7203 38.5029 175.6315 1062 I 4.4729 8.4025 120.8726 58.7883 40.4948 174.4378 1063 N 4.8896 8.7970 124.7730 53.2762 39.0599 174.2021 1064 V 4.0591 9.1274 128.3137 61.3560 33.5643 175.3100 1065 K 4.0789 8.5414 127.9426 57.9660 32.2360 177.6264 1066 G 4.0324 8.9415 115.3692 45.5942 0.0000 174.0362 1067 K 4.2271 7.6209 117.9875 58.1954 33.8754 175.8826 1068 G 3.8672 8.1271 105.4734 43.9435 0.0000 173.7057 1069 D 4.7755 8.5430 124.9779 54.3359 41.0726 175.7397 1070 L 4.7317 8.6633 124.2773 52.5424 44.7928 175.8043 1071 K 4.7453 8.6554 125.0102 55.6437 33.1392 175.8322 1072 T 4.7579 8.0674 117.4026 60.5028 72.1582 172.5421 1073 Y 5.0174 8.6036 117.9483 56.5626 43.1293 174.3562 1074 F 5.7756 9.3241 118.8733 55.9640 42.9603 174.6737 1075 V 4.6061 8.2242 121.3446 62.1303 32.6272 174.8981 1076 N 4.9244 8.8539 125.1896 52.3839 39.8214 175.5372 1077 T 4.3120 8.4958 119.0668 63.7503 68.9994 174.1282 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 877 L 8.18 4.38 0.00 1.74 1.45 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 878 Y 8.71 4.66 0.00 2.89 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 0.00 879 H 7.72 5.16 0.00 2.82 3.07 0.00 5.78 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 0.00 880 Q 8.70 4.56 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 881 S 8.53 5.35 0.00 3.93 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 0.00 882 Y 8.92 4.75 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 D 9.11 4.78 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 C 7.97 4.90 0.00 2.95 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 0.00 885 V 8.85 4.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.78 0.00 0.00 886 C 8.73 5.13 0.00 3.09 2.81 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 0.00 887 V 8.29 4.34 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 0.66 0.00 0.00 0.86 0.00 0.00 888 M 8.48 5.17 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 889 F 9.40 4.71 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 890 A 9.21 4.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 891 S 9.25 5.01 0.00 3.91 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 0.00 892 I 7.73 5.01 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.21 0.87 0.00 0.00 893 P 0.00 4.32 0.00 2.26 2.19 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 894 D 8.30 4.43 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 895 F 8.38 4.43 0.00 3.10 3.14 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 0.00 896 K 7.65 3.94 0.00 1.73 1.94 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 897 E 8.16 4.11 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 898 F 7.91 4.35 0.00 3.16 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 899 Y 7.40 3.89 0.00 2.57 2.91 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 0.00 900 T 7.37 4.30 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 1.00 0.00 0.00 901 E 8.21 4.36 0.00 1.69 1.76 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 2.13 2.14 0.00 902 S 8.09 4.74 0.00 3.91 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 0.00 903 D 8.51 4.44 0.00 2.66 2.74 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 0.00 0.00 0.00 0.00 904 V 7.75 3.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 905 N 7.96 4.62 0.00 2.88 2.93 0.00 0.00 7.09 8.23 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 0.00 906 K 8.26 4.05 0.00 1.95 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 907 E 9.49 3.72 0.00 2.05 2.03 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 2.25 2.26 0.00 908 G 8.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 909 L 7.83 4.04 0.00 1.93 1.72 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.30 4.06 0.00 2.04 2.05 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 2.50 2.52 0.00 911 C 8.07 4.48 0.00 3.33 3.26 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 0.00 912 L 8.02 4.37 0.00 1.96 1.83 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 913 R 7.94 4.00 0.00 1.98 2.16 0.00 3.15 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 1.67 1.67 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0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.65 0.21 7.81 931 F 7.84 5.19 0.00 3.32 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 S 8.41 4.18 0.00 3.87 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 0.00 933 G 8.01 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 0.00 934 V 7.46 3.99 1.81 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 -0.14 0.00 0.00 0.77 0.00 0.00 935 E 8.92 4.46 0.00 1.88 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 2.12 2.26 0.00 936 K 8.49 4.07 0.00 1.78 1.67 0.00 1.96 0.00 0.00 1.64 0.00 0.00 2.64 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.22 0.90 7.81 937 I 8.07 4.08 1.63 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.73 0.00 0.00 938 K 6.56 4.14 0.00 1.74 1.84 0.00 1.39 0.00 0.00 1.80 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.08 1.09 7.81 939 T 8.19 4.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 940 I 9.01 4.23 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.93 0.00 0.00 941 G 9.24 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 0.00 0.00 0.00 942 S 9.13 4.62 0.00 3.52 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 0.00 943 T 8.41 4.91 4.48 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 1.50 0.00 0.00 944 Y 9.17 4.56 0.00 3.15 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 0.00 945 M 8.54 5.20 0.00 1.82 1.45 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.77 0.00 946 A 8.05 4.96 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 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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 0.00 0.00 0.00 0.00 1000 I 8.55 5.22 1.87 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 1.12 1.49 0.94 0.00 0.00 1001 N 9.00 5.35 0.00 2.76 2.64 0.00 0.00 6.58 8.21 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 1002 H 8.63 5.27 0.00 3.28 3.17 0.00 5.74 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 1003 G 8.19 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1004 P 0.00 5.15 0.00 2.14 2.12 0.00 3.34 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 1005 V 8.35 4.75 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 0.75 0.00 0.00 0.87 0.00 0.00 1006 I 9.13 5.19 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 0.99 0.00 0.00 1007 A 10.60 4.86 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 1008 G 6.84 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 0.00 0.00 0.00 1009 V 7.95 4.92 2.21 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 1.22 0.00 0.00 1.09 0.00 0.00 1010 I 7.90 4.55 1.56 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 1.03 0.00 0.00 1011 G 8.98 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 0.00 0.00 0.00 1012 A 8.37 4.56 1.24 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 0.00 0.00 1013 Q 7.81 4.04 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 1014 K 7.48 4.73 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.43 7.81 1015 P 0.00 4.61 0.00 2.08 2.07 0.00 3.69 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 2.04 2.13 0.00 1016 Q 7.66 4.52 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.11 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 1017 Y 8.55 4.60 0.00 2.92 2.83 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 1018 D 8.39 4.41 0.00 2.44 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.15 4.79 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.58 0.00 0.00 1020 W 10.19 4.97 0.00 3.25 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 1021 G 8.76 4.66 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 1022 N 8.33 4.57 0.00 2.82 2.84 0.00 0.00 7.67 7.22 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 1023 T 7.96 4.08 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 1.23 0.00 0.00 1024 V 7.75 3.77 2.25 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 1.20 0.00 0.00 0.89 0.00 0.00 1025 N 7.83 4.29 0.00 2.98 2.84 0.00 0.00 6.64 7.34 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 1026 V 8.22 3.66 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 1.01 0.00 0.00 0.98 0.00 0.00 1027 A 8.21 4.07 1.64 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 0.00 0.00 1028 S 7.84 3.19 0.00 2.87 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 1029 R 7.51 4.22 0.00 1.95 1.93 0.00 3.32 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 1030 M 7.90 4.24 0.00 2.22 2.38 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 2.66 2.91 0.00 1031 D 7.35 4.76 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1032 S 8.35 4.28 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1033 T 7.66 4.49 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 1.25 0.00 0.00 1034 G 7.85 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1035 V 7.95 4.48 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 0.94 0.00 0.00 1.06 0.00 0.00 1036 L 8.37 4.05 0.00 1.66 1.60 0.94 1.11 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 1037 D 8.76 4.47 0.00 2.80 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 1038 K 7.66 4.64 0.00 1.53 1.28 0.00 1.21 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 0.80 7.81 1039 I 8.30 4.32 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.25 0.92 0.00 0.00 1040 Q 8.94 5.02 0.00 2.46 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 1041 V 8.92 5.40 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 1.01 0.00 0.00 1.01 0.00 0.00 1042 T 8.32 4.42 4.42 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 1.22 0.00 0.00 1043 E 8.85 3.92 0.00 2.34 2.03 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 2.39 2.37 0.00 1044 E 8.31 3.95 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 1045 T 7.45 3.88 4.36 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 1.17 0.00 0.00 1046 S 7.78 4.03 0.00 3.48 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 1047 L 7.53 3.86 0.00 1.75 1.62 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.17 3.47 1.72 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.31 0.40 0.00 0.00 1049 L 8.01 4.09 0.00 1.77 1.69 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1050 Q 8.20 4.41 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 1051 T 7.77 3.99 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 1.32 0.00 0.00 1052 L 7.52 4.30 0.00 1.92 1.80 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1053 G 7.56 3.96 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 0.00 0.00 0.00 1054 Y 8.08 4.67 0.00 3.07 2.85 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 1055 T 8.58 4.83 4.34 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 1.27 0.00 0.00 1056 C 8.75 5.58 0.00 2.78 2.91 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 1057 T 8.99 4.81 4.45 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 1.31 0.00 0.00 1058 C 8.91 3.71 0.00 2.80 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 1059 R 7.97 3.89 0.00 0.77 1.50 0.00 3.22 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 0.00 1060 G 7.70 3.60 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 1061 I 7.96 4.80 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.91 0.00 0.00 1062 I 8.40 4.47 1.84 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 1.04 0.88 0.86 0.00 0.00 1063 N 8.80 4.89 0.00 2.75 2.79 0.00 0.00 7.03 7.71 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 1064 V 9.13 4.06 2.06 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 0.87 0.00 0.00 0.91 0.00 0.00 1065 K 8.54 4.08 0.00 1.86 1.67 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 1066 G 8.94 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 0.00 0.00 0.00 1067 K 7.62 4.23 0.00 1.70 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.50 7.81 1068 G 8.13 3.87 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 0.00 0.00 0.00 1069 D 8.54 4.78 0.00 2.54 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1070 L 8.66 4.73 0.00 1.55 1.52 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.66 4.75 0.00 1.73 1.74 0.00 2.02 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 1.25 7.81 1072 T 8.07 4.76 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 1.14 0.00 0.00 1073 Y 8.60 5.02 0.00 2.89 2.83 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 1074 F 9.32 5.78 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 V 8.22 4.61 2.16 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 0.72 0.00 0.00 0.90 0.00 0.00 1076 N 8.85 4.92 0.00 2.77 2.81 0.00 0.00 6.85 6.84 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 1077 T 8.50 4.31 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.