NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 800 H 4.8299 8.4293 120.3915 56.1635 29.9254 172.0472 801 V 4.3762 7.8362 124.8256 58.2104 34.4143 173.1052 802 T 4.6061 9.0183 111.8470 59.8764 72.1858 174.3512 803 I 4.3857 8.2245 124.7600 59.7977 38.9778 175.3634 804 R 4.5156 8.2267 123.5242 54.5816 32.0275 176.2705 *811 I 4.2396 8.1300 113.4505 60.1592 39.4752 176.1065 812 R 4.6902 7.6991 114.9915 53.9344 32.2986 174.1947 813 S 4.8200 8.4838 114.1634 56.7048 65.0144 173.3515 814 E 4.6148 8.4952 121.4532 54.5152 32.8351 175.0666 815 V 4.3115 8.4539 122.5335 60.9804 33.2844 174.4087 816 L 4.7392 8.4653 126.9851 53.1188 43.7425 175.5440 817 M 4.5504 8.5056 122.4339 53.7170 33.8256 175.8560 818 E 4.3676 8.5725 123.5165 55.3474 32.0912 175.3160 819 G 3.7828 8.4399 107.6151 45.0852 0.0000 172.7680 820 E 4.1332 8.7513 118.5657 58.7352 29.7772 176.7508 821 Y 4.9742 7.4887 113.5683 55.0446 41.2364 174.3442 822 G 4.1736 8.6054 109.3300 44.0052 0.0000 173.0087 823 F 4.7638 8.4972 121.7773 56.2116 42.1588 174.0814 824 I 4.2519 7.8794 128.1094 59.4944 38.5990 174.3255 825 G 4.0515 8.1857 113.5609 43.2604 0.0000 170.0088 826 K 4.4368 8.3536 119.7030 53.9113 33.7963 176.0081 827 S 4.3109 8.5783 120.8665 58.1295 63.4822 173.8887 828 I 3.9233 8.0818 122.4562 60.2118 37.1008 174.6506 829 P 4.3589 0.0000 0.0000 63.0724 31.8338 176.8653 830 T 4.0992 8.5585 119.1775 66.1335 68.8064 175.4120 831 D 4.7079 7.9982 118.9679 55.2232 42.6163 176.2327 832 N 4.9379 7.5286 116.5815 50.7569 38.6816 172.4645 833 P 4.3116 0.0000 0.0000 64.2083 32.2023 177.6747 834 A 4.7116 7.6131 119.6655 52.0057 18.7512 177.9436 835 G 4.0122 7.6494 101.8881 45.3686 0.0000 173.9673 836 Q 4.0892 7.4372 121.8136 56.8942 29.7577 176.1660 837 R 4.6071 7.7993 121.3846 56.0201 31.3694 173.4251 838 I 4.2802 7.5476 121.3762 59.6379 40.0367 174.5281 839 I 4.5294 7.7401 125.4829 59.4573 39.5591 174.7530 840 F 4.8621 9.0662 126.1452 55.8844 41.2256 174.4450 841 C 5.2221 8.6281 122.7845 57.8065 34.2680 173.9044 842 G 3.8191 9.5244 112.6163 47.3196 0.0000 172.9119 843 G 4.5116 7.8691 108.0904 42.1431 0.0000 172.6443 844 E 4.0301 8.8161 116.3388 58.3144 29.6104 176.7634 845 G 4.1561 7.4897 106.3692 43.0495 0.0000 172.9755 846 T 3.6906 8.2894 113.2938 64.5322 67.7422 174.4557 847 S 3.7658 6.8866 116.7574 57.4922 63.1302 174.9669 848 S 4.3962 8.5177 121.4236 60.7639 63.2894 176.0032 849 T 4.0385 7.3369 109.8351 63.9387 68.4400 175.2323 850 T 4.0961 7.7463 119.3969 64.6028 69.0085 174.5338 851 G 4.0190 7.1323 107.2191 45.4268 0.0000 172.9153 852 A 4.5320 7.9513 121.6643 52.5074 19.7911 176.7007 853 Q 5.6763 9.5372 118.2843 53.5632 33.8449 174.1398 854 I 5.0412 8.5422 122.3330 59.8572 40.8885 174.3266 855 T 4.9598 8.8070 123.3999 61.7323 71.6526 172.9128 856 L 5.0857 8.5195 126.8338 53.4035 43.7722 175.3019 857 Y 4.5279 9.5592 122.9659 56.8908 39.7833 176.0193 858 G 4.1854 9.1079 110.7485 45.0864 0.0000 174.5818 859 A 4.2524 8.5206 122.0420 54.6390 18.4439 178.9645 860 N 4.5203 8.2399 112.1977 55.1338 39.0963 174.8931 861 N 4.4849 7.8937 116.6687 53.5360 39.7393 174.2570 862 T 4.0572 8.3154 122.5288 67.1717 68.8155 175.4832 863 D 4.5576 8.4166 124.5010 52.3311 39.0083 174.2941 864 S 4.3851 8.0573 116.2076 59.4303 62.9997 174.3759 865 R 4.2121 8.6480 125.6603 56.5798 28.2101 176.3384 866 R 4.0927 7.5467 117.9206 56.2182 31.3521 175.0573 867 I 5.0236 8.1226 124.8370 59.4377 40.2790 174.7896 868 V 4.2708 8.4959 126.8573 61.2910 33.9233 173.7849 869 Y 4.8607 8.8370 126.0641 56.7561 39.1626 175.0259 870 N 4.9477 9.6000 125.8519 52.1539 40.4811 173.5126 871 G 4.4593 8.3577 111.7210 45.1617 0.0000 171.2085 872 D 4.7388 8.7398 119.0357 55.2661 41.4508 176.7877 873 E 4.5901 7.6185 117.5071 54.8912 33.4363 174.4775 874 H 4.5597 8.7097 119.1533 54.0770 30.2865 173.2676 875 L 4.4803 8.0858 124.8216 52.7925 43.0854 176.6116 876 F 4.4972 8.7693 123.6432 55.9742 39.3497 175.0872 877 Q 4.5101 8.5749 126.9612 55.6365 30.5013 175.6772 878 S 4.2334 10.4394 119.2371 58.3063 60.4166 168.5176 879 A 4.4859 7.1983 119.9521 51.0612 21.4539 176.2297 880 D 4.3489 8.5059 120.0530 54.2714 41.4317 177.1577 881 V 3.6474 8.0338 122.1885 62.1815 30.9991 175.4170 882 K 4.6532 8.0470 126.1465 53.7488 35.1370 174.6565 883 P 4.5653 0.0000 0.0000 62.1524 32.2757 176.2168 884 Y 4.0179 8.8003 122.7986 60.2396 38.8943 175.7949 885 N 4.8652 7.9667 114.5331 51.3391 41.1334 173.1535 886 D 4.5076 8.4718 118.9267 54.3108 42.2449 175.6677 887 N 4.2227 8.8381 126.0874 55.0220 37.1655 174.2708 888 V 4.4668 7.6178 107.6823 60.6735 34.8685 176.3542 889 T 4.6147 7.9202 108.0140 59.5128 71.1014 172.9900 890 A 4.7317 8.2506 125.0352 50.2747 21.7578 176.0412 891 L 4.3700 8.4436 119.8495 54.5696 42.2387 178.7255 892 G 3.7219 9.6881 114.8052 45.4323 0.0000 171.1854 893 G 4.0332 8.1519 106.7963 44.0034 0.0000 172.3525 894 P 4.1072 0.0000 0.0000 65.0380 31.1343 177.6234 895 S 4.0984 7.5039 108.1457 57.7212 63.3923 173.4197 896 N 4.8233 7.3970 115.0984 52.2281 38.4308 173.7925 897 R 4.3877 7.3062 117.1624 55.1092 31.7396 177.2338 898 F 4.4167 8.4237 121.7715 57.2057 39.8217 175.5486 899 T 3.9684 8.7899 115.4370 64.9545 68.4759 173.7205 900 T 4.2724 7.2999 114.6408 62.7048 72.2628 171.8184 901 A 4.5880 8.3122 124.8198 50.6810 21.0343 175.4156 902 Y 4.3397 8.7396 121.3218 56.8466 37.9356 174.9754 903 L 4.8753 8.2542 124.5873 52.7108 44.7070 177.4173 904 G 3.8033 8.6379 110.1041 47.3803 0.0000 173.2822 905 S 4.6282 7.4389 112.2869 56.7606 66.0169 173.1908 906 N 4.5831 8.4186 117.9987 52.0525 38.9389 173.7504 907 P 4.2769 0.0000 0.0000 63.2434 31.9864 175.7425 908 I 4.3432 8.2187 121.8005 59.6006 38.5497 175.2211 909 V 4.3187 8.3673 125.5038 61.3016 32.7550 174.5753 910 T 4.6605 8.2096 119.9504 60.5668 70.6972 172.9211 911 A 4.4163 8.5321 126.4991 51.3687 20.0479 176.8559 912 N 4.2461 9.3299 113.4911 54.3289 37.8854 174.9961 913 G 3.9413 8.4199 103.2980 44.6839 0.0000 174.1203 914 E 4.0027 7.8050 120.1872 56.0265 29.6595 177.1327 915 R 3.9908 8.6319 124.1606 56.0297 30.5813 176.2900 916 K 4.5440 8.2207 121.7641 54.6017 35.1048 175.5590 917 T 4.0733 8.0017 110.0859 60.8796 69.4291 173.4617 918 E 4.0142 8.3848 122.8832 55.1868 30.0519 174.5877 919 P 4.2747 0.0000 0.0000 62.6475 32.0034 175.7467 920 V 4.3822 7.8492 121.6142 60.7056 33.9700 175.7092 921 V 3.8509 8.0761 119.0875 60.8035 32.0992 176.1338 922 F 3.8713 8.9237 120.7193 57.4032 38.3534 175.3158 923 D 4.6309 8.5627 125.8053 53.4983 39.8160 177.6481 924 D 4.4528 8.7789 119.7145 57.4933 40.6533 178.9297 925 A 4.1256 8.0688 121.0291 54.9210 18.3695 179.2522 926 F 4.0130 8.3244 119.6355 61.2797 39.2602 177.6037 927 L 4.4182 8.2001 117.4946 57.5925 41.6781 178.6642 928 D 4.6240 8.3367 118.9800 57.2981 40.8289 178.5582 929 A 3.3486 7.6146 121.1691 54.8464 18.5623 179.4855 930 W 4.2501 8.3376 126.9146 60.0387 30.3685 178.1819 931 G 3.2847 7.4418 104.8877 47.1305 0.0000 173.8878 932 D 4.4706 7.6933 119.2159 53.9997 41.0135 176.3947 933 V 3.2471 6.5596 119.9139 62.1771 31.8983 174.8498 934 H 4.6509 7.9344 123.8357 54.1153 30.2879 173.3660 935 Y 4.4950 8.4765 122.9939 57.1122 38.4852 174.8551 936 I 4.7068 8.8781 117.6916 59.3359 41.4424 174.1232 937 M 5.2987 8.4546 121.3970 54.2632 34.9512 174.5971 938 Y 4.8223 8.2241 118.4068 56.6486 42.0562 172.9642 939 Q 4.7842 8.3650 116.9410 53.8294 33.2484 175.3077 940 W 4.6851 8.6320 121.7323 56.1513 30.4295 177.8559 941 L 4.1644 8.9205 122.9305 57.8676 39.8877 179.4669 942 D 4.4896 8.3597 118.5237 57.3549 40.8630 178.2449 943 A 4.3309 8.2961 120.6109 54.4198 18.4311 180.1278 944 V 3.6950 7.4158 110.6191 64.4852 31.4028 178.3592 945 Q 4.0419 8.1374 116.3722 59.2897 28.6747 178.8511 946 L 4.2761 7.2131 115.3181 56.9553 42.0597 178.0429 947 K 4.5881 8.3024 114.0686 54.9557 34.7293 176.3663 948 G 4.0269 8.6425 109.5425 46.4112 0.0000 173.1207 949 N 4.8681 8.6114 120.0820 52.6572 37.6564 175.7739 950 D 4.4696 8.2997 116.9315 55.7877 41.1791 176.0651 951 A 4.2238 7.3436 120.9706 52.7717 18.9532 177.4897 952 R 4.0420 8.2988 118.5998 56.2146 30.7517 176.4630 953 I 4.3573 7.9880 122.9794 60.4605 38.5028 174.7855 954 H 4.4663 8.6497 124.2964 53.9640 31.2921 174.0913 955 F 5.4733 9.6392 119.7841 56.2507 41.3662 176.5976 956 G 4.0920 7.0969 106.8511 44.7946 0.0000 172.2686 957 V 4.6565 7.8050 112.8056 59.2511 35.2799 175.3778 958 I 4.1929 7.6874 120.9505 59.5374 38.8132 176.3647 959 A 3.8806 8.6432 127.3381 55.5792 18.0718 179.3930 960 Q 3.4196 7.6829 115.7482 58.9636 28.8386 178.8018 961 Q 4.0289 7.7230 117.4387 58.5004 28.5982 178.4185 962 I 3.3458 7.1717 122.0982 64.1734 37.3146 177.9945 963 R 3.5560 7.4093 119.4531 59.2480 29.7307 178.3335 964 D 4.2283 8.2230 119.0625 57.4604 40.7715 178.8204 965 V 3.7416 7.3365 118.7235 66.1824 31.3809 178.0731 966 F 4.3412 8.4995 117.5706 60.2822 38.6640 177.8771 967 I 3.7555 7.8031 119.1492 64.4883 36.8511 178.0676 968 A 4.0110 8.3070 121.5505 55.2115 18.2556 177.9732 969 H 4.6255 8.1722 110.5182 54.6294 29.4638 175.4724 970 G 4.0839 8.4235 107.8390 46.9744 0.0000 173.7719 971 L 4.7998 8.2519 111.5818 55.0873 41.8859 176.1353 972 M 4.5209 7.7230 116.9137 55.5940 35.4039 173.7749 *978 N 4.5503 8.2798 116.5249 52.5492 39.6957 174.6866 979 C 3.9430 8.0544 116.6807 60.1572 32.5538 173.7834 980 R 4.0788 8.6400 123.9922 57.6359 30.5513 176.0969 981 Y 4.7911 7.8282 115.8473 55.9638 39.6365 176.3810 982 A 4.3665 8.8159 127.3057 54.1158 19.0538 178.6587 983 V 3.9651 8.1380 115.7220 63.4441 32.8960 175.5648 984 L 5.2220 8.0277 123.3233 53.4192 43.8606 175.3828 985 C 5.0136 9.7429 124.3429 58.1860 31.1808 172.2022 986 Y 4.6795 8.7146 125.0665 55.6213 40.5225 174.3747 987 D 4.7111 7.9910 125.3859 52.1247 45.1621 174.3402 988 K 4.6213 8.3975 123.2695 54.5396 34.3859 174.6275 989 Y 4.9440 8.3220 124.9251 54.5163 41.5221 173.3952 990 P 4.9775 0.0000 0.0000 61.9885 32.6288 176.0565 991 R 4.3150 8.4404 117.6176 56.5215 30.8520 175.3518 992 M 4.7528 8.6246 120.4098 53.9558 34.4981 174.6622 993 T 5.2050 8.3829 115.0760 60.3219 72.4303 172.4061 994 D 4.8591 8.7656 120.3170 53.3764 45.3129 173.8218 995 T 4.9623 8.6291 114.9367 60.6908 70.1419 174.0890 996 V 4.8183 8.9508 125.8089 60.5814 35.6224 174.1600 997 F 3.8002 9.0216 129.0616 58.5117 39.3174 173.6468 998 S 4.5432 7.1424 119.4779 59.4280 64.6784 173.5882 999 H 4.3658 6.2442 113.8621 54.0580 31.3509 172.0443 1000 N 5.3520 8.6877 116.6334 52.5538 40.2067 174.3292 1001 E 4.9295 8.6684 117.4997 54.4557 33.7815 174.4477 1002 I 4.1650 8.3551 114.9377 60.9363 38.6444 175.2131 1003 V 4.4036 8.5903 126.6652 60.8497 33.8816 173.9327 1004 E 4.7083 8.7560 126.4351 55.7893 30.8731 175.2651 1005 H 5.0239 9.1667 120.3691 54.1854 31.6626 172.7711 1006 T 5.5902 8.7520 113.7838 59.1049 70.7107 174.3300 1007 D 4.7153 8.6284 125.9786 51.9269 41.3366 175.6756 1008 E 4.0267 8.8173 116.5292 59.5658 29.2667 177.3442 1009 E 4.0544 8.1201 121.2221 55.1119 30.2640 177.6109 1010 G 3.6227 8.7660 113.0457 48.5608 0.0000 174.0019 1011 N 4.3581 7.6226 117.1148 53.4375 38.2797 174.3428 1012 V 4.8354 8.3809 121.8447 61.7081 33.2078 175.0046 1013 T 4.7061 9.7404 118.7217 60.5701 72.1033 173.1710 1014 T 5.2327 8.1494 116.6129 62.6452 72.4874 173.8285 1015 T 4.8173 8.7586 121.0806 62.1537 73.7523 172.3035 1016 E 5.1981 8.7577 122.3658 54.9061 31.6764 175.4243 1017 E 4.8511 8.5545 122.7210 53.6425 33.3179 173.8181 1018 P 4.7417 0.0000 0.0000 62.7291 32.6017 175.7931 1019 V 4.3248 8.3042 123.5589 61.2967 33.9649 173.5848 1020 Y 4.9088 8.7322 125.5252 56.5929 39.6136 174.8939 1021 T 4.6713 8.6553 119.1075 59.7892 70.5520 172.7626 1022 E 4.5740 8.8494 129.1373 56.4014 30.4827 175.8935 1023 V 4.5164 9.4017 126.8117 61.0263 35.3148 174.2046 1024 V 4.3840 8.2802 126.2266 62.2294 31.6326 175.5659 1025 I 4.2111 9.0265 130.4047 64.2304 37.8127 176.2658 1026 H 4.8148 7.5783 114.2342 54.4575 31.1805 173.4726 1027 E 4.5057 8.8691 120.3265 55.7636 30.4296 176.1671 1028 E 4.0339 8.7522 122.6244 57.7379 30.3610 176.9411 1029 G 3.9149 8.1881 110.8476 46.4563 0.0000 171.6253 1030 E 4.6392 8.0770 116.7476 55.1148 32.6163 174.1633 1031 E 4.7945 8.9416 121.0125 54.3564 33.7242 173.8624 1032 W 5.3321 8.9529 124.4029 55.1449 31.6727 175.1993 1033 G 4.4675 9.7603 110.6618 45.2581 0.0000 171.2246 1034 V 5.1824 8.3043 111.6100 59.8864 36.4439 176.1352 1035 R 4.4509 8.6603 121.5603 54.2031 30.6334 175.1915 1036 P 3.9961 0.0000 0.0000 65.7296 31.3588 178.1025 1037 D 4.5570 8.2324 116.8895 57.3989 40.9110 178.6284 1038 G 4.0304 8.3693 105.6539 48.1757 0.0000 175.0896 1039 I 3.9708 8.2652 122.8147 64.5352 36.7343 178.5025 1040 F 4.7773 8.2495 117.9884 60.0099 38.7342 177.9848 1041 F 4.3285 8.6567 118.4317 60.2780 38.6531 177.5046 1042 A 3.1916 8.0438 120.4371 54.9989 18.0183 179.2713 1043 E 4.3272 8.5253 117.5452 59.5699 29.7580 178.9566 1044 A 4.0357 7.7497 119.6882 54.8598 18.3785 179.4651 1045 A 3.8077 7.6179 119.3394 55.1293 18.2877 179.3218 1046 Y 4.0318 8.1722 118.1572 61.2120 39.1963 178.2901 1047 Q 3.9373 8.6403 119.0521 58.6808 28.7181 178.9672 1048 R 3.9540 7.8903 119.1964 58.9918 30.1705 178.9032 1049 R 3.8725 7.6654 118.5081 59.2702 29.9936 178.7689 1050 K 3.8811 7.8545 118.3547 59.3544 31.9189 179.4027 1051 L 4.0064 7.7659 118.9542 57.7376 41.5786 179.4057 1052 E 3.9599 8.1800 118.6919 59.3723 28.9678 179.3355 1053 R 4.0991 7.9594 116.8303 58.2401 30.1104 178.5271 1054 I 3.7403 7.3950 119.4446 63.3764 37.5327 177.7067 1055 E 4.0792 8.3603 119.2931 58.7550 29.3266 178.9340 1056 A 4.0807 7.9824 121.0386 54.8123 18.5607 179.9011 1057 R 3.8722 7.5577 116.4296 59.3192 30.1974 179.1352 1058 L 3.9581 7.8576 118.8062 58.0423 41.4607 179.6863 1059 S 4.1512 7.9230 111.2261 60.8606 62.3544 175.4433 1060 A 4.2231 7.8666 122.5491 54.0969 18.4951 178.8276 1061 L 4.2045 7.6522 116.3614 56.3627 42.0031 177.3234 1062 E 4.3724 7.8193 122.2851 56.3485 29.7995 175.5706 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 800 H 8.43 4.83 0.00 3.09 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 801 V 7.84 4.38 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 0.77 0.00 0.00 0.92 0.00 0.00 802 T 9.02 4.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 803 I 8.22 4.39 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 1.41 0.89 0.91 0.00 0.00 804 R 8.23 4.52 0.00 1.78 1.83 0.00 3.23 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 *811 I 8.13 4.24 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 1.47 0.53 0.91 0.00 0.00 812 R 7.70 4.69 0.00 1.87 1.88 0.00 3.01 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 813 S 8.48 4.82 0.00 3.98 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 0.00 814 E 8.50 4.61 0.00 1.92 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 2.20 2.26 0.00 815 V 8.45 4.31 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 0.85 0.00 0.00 0.94 0.00 0.00 816 L 8.47 4.74 0.00 1.63 1.55 0.92 0.95 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 0.00 817 M 8.51 4.55 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 818 E 8.57 4.37 0.00 1.94 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 2.25 2.29 0.00 819 G 8.44 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 0.00 0.00 0.00 820 E 8.75 4.13 0.00 2.02 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 0.00 2.51 2.40 0.00 821 Y 7.49 4.97 0.00 3.10 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 0.00 822 G 8.61 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 823 F 8.50 4.76 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 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0.00 0.00 0.00 0.00 923 D 8.56 4.63 0.00 2.87 2.84 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 0.00 924 D 8.78 4.45 0.00 2.77 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 0.00 925 A 8.07 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 926 F 8.32 4.01 0.00 3.13 3.23 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 0.00 927 L 8.20 4.42 0.00 2.01 2.05 1.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 928 D 8.34 4.62 0.00 2.97 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 0.00 929 A 7.61 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 930 W 8.34 4.25 0.00 3.18 2.90 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 0.00 931 G 7.44 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0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 940 W 8.63 4.69 0.00 3.48 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 0.00 941 L 8.92 4.16 0.00 1.81 1.81 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 942 D 8.36 4.49 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 943 A 8.30 4.33 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 944 V 7.42 3.69 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 1.02 0.00 0.00 1.04 0.00 0.00 945 Q 8.14 4.04 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.09 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 946 L 7.21 4.28 0.00 1.62 1.75 1.00 0.85 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 0.00 947 K 8.30 4.59 0.00 1.80 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 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0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 *978 N 8.28 4.55 0.00 2.80 2.86 0.00 0.00 6.78 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 0.00 979 C 8.05 3.94 0.00 3.22 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 0.00 980 R 8.64 4.08 0.00 1.50 1.41 0.00 3.26 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 981 Y 7.83 4.79 0.00 3.45 3.07 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 0.00 0.00 0.00 0.00 982 A 8.82 4.37 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 0.00 983 V 8.14 3.97 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 1.02 0.00 0.00 1.13 0.00 0.00 984 L 8.03 5.22 0.00 1.76 1.84 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 985 C 9.74 5.01 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.20 0.00 0.00 994 D 8.77 4.86 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 995 T 8.63 4.96 4.33 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 1.28 0.00 0.00 996 V 8.95 4.82 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 1.09 0.00 0.00 1.04 0.00 0.00 997 F 9.02 3.80 0.00 2.37 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 0.00 998 S 7.14 4.54 0.00 3.78 3.75 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 0.00 999 H 6.24 4.37 0.00 3.05 3.22 0.00 5.44 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1000 N 8.69 5.35 0.00 2.69 2.83 0.00 0.00 6.66 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 1001 E 8.67 4.93 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 2.17 2.25 0.00 1002 I 8.36 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 1.22 0.86 0.92 0.00 0.00 1003 V 8.59 4.40 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 0.84 0.00 0.00 0.92 0.00 0.00 1004 E 8.76 4.71 0.00 1.98 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 2.21 2.36 0.00 1005 H 9.17 5.02 0.00 3.03 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 T 8.75 5.59 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 1.23 0.00 0.00 1007 D 8.63 4.72 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 E 8.82 4.03 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 1009 E 8.12 4.05 0.00 2.06 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 2.38 2.38 0.00 1010 G 8.77 3.62 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 1011 N 7.62 4.36 0.00 2.87 2.98 0.00 0.00 6.43 7.55 0.00 0.00 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 V 8.38 4.84 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 0.85 0.00 0.00 0.93 0.00 0.00 1013 T 9.74 4.71 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 1014 T 8.15 5.23 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 1015 T 8.76 4.82 4.38 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 1.33 0.00 0.00 1016 E 8.76 5.20 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 2.24 2.33 0.00 1017 E 8.55 4.85 0.00 1.85 1.82 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 2.24 2.41 0.00 1018 P 0.00 4.74 0.00 2.16 2.26 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 1019 V 8.30 4.32 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 0.86 0.00 0.00 0.87 0.00 0.00 1020 Y 8.73 4.91 0.00 2.87 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 1021 T 8.66 4.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1022 E 8.85 4.57 0.00 2.05 1.86 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 2.31 2.33 0.00 1023 V 9.40 4.52 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 0.91 0.00 0.00 0.95 0.00 0.00 1024 V 8.28 4.38 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 0.92 0.00 0.00 0.93 0.00 0.00 1025 I 9.03 4.21 1.90 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 1.44 0.94 0.94 0.00 0.00 1026 H 7.58 4.81 0.00 3.24 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1027 E 8.87 4.51 0.00 1.92 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 2.33 2.26 0.00 1028 E 8.75 4.03 0.00 2.02 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 2.46 2.23 0.00 1029 G 8.19 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 1030 E 8.08 4.64 0.00 1.44 1.49 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 2.04 2.21 0.00 1031 E 8.94 4.79 0.00 2.00 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 2.22 2.44 0.00 1032 W 8.95 5.33 0.00 3.25 3.07 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 0.00 0.00 0.00 0.00 1033 G 9.76 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 0.00 0.00 0.00 0.00 1034 V 8.30 5.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 1035 R 8.66 4.45 0.00 1.88 1.98 0.00 3.27 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 1036 P 0.00 4.00 0.00 2.27 2.20 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 1037 D 8.23 4.56 0.00 2.86 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 1038 G 8.37 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 1039 I 8.27 3.97 1.66 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 1.86 1.08 1.10 0.00 0.00 1040 F 8.25 4.78 0.00 3.05 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 1041 F 8.66 4.33 0.00 3.31 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 1042 A 8.04 3.19 0.30 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 1043 E 8.53 4.33 0.00 2.78 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 2.47 2.61 0.00 1044 A 7.75 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1045 A 7.62 3.81 0.49 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 0.00 0.00 1046 Y 8.17 4.03 0.00 3.23 3.31 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 1047 Q 8.64 3.94 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.84 0.00 1048 R 7.89 3.95 0.00 1.94 1.96 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 1049 R 7.67 3.87 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 1050 K 7.85 3.88 0.00 1.56 1.69 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 0.79 7.81 1051 L 7.77 4.01 0.00 1.87 1.68 0.92 0.68 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 1052 E 8.18 3.96 0.00 2.01 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 2.32 2.55 0.00 1053 R 7.96 4.10 0.00 1.98 1.95 0.00 3.08 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 1054 I 7.39 3.74 2.05 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 1.50 0.69 0.90 0.00 0.00 1055 E 8.36 4.08 0.00 2.06 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 2.32 2.31 0.00 1056 A 7.98 4.08 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 1057 R 7.56 3.87 0.00 1.91 1.98 0.00 3.13 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 1.65 1.70 0.00 1058 L 7.86 3.96 0.00 1.89 1.71 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1059 S 7.92 4.15 0.00 4.00 4.01 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 1060 A 7.87 4.22 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 1061 L 7.65 4.20 0.00 1.77 1.73 0.92 0.90 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 1062 E 7.82 4.37 0.00 1.94 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 2.27 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.