NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 800 H 4.6988 8.4449 120.3898 56.1626 30.1167 172.1077 801 V 4.3060 8.2276 120.1634 58.7101 33.9792 173.8456 802 T 4.5691 9.0937 118.5656 60.1954 70.3061 173.0476 803 I 4.1769 8.3221 129.6163 60.5652 38.2112 175.4008 804 R 4.6849 8.2006 122.8685 53.6903 33.5152 177.4304 805 A 5.3143 8.5481 118.0827 51.0134 17.3234 178.4877 *811 I 4.2543 8.3533 105.6068 61.0171 39.7853 176.7709 812 R 4.5927 7.4730 116.5839 54.0107 32.0703 174.4206 813 S 4.7133 8.5283 116.6106 57.5604 64.4582 173.1865 814 E 4.5089 8.3793 121.7542 54.7412 32.1928 174.4419 815 V 4.3366 8.4645 125.4118 60.9779 33.5711 174.1856 816 L 4.7340 8.5268 126.9712 53.1004 43.8348 175.5659 817 M 4.5549 8.5017 122.8604 53.7193 33.8214 176.0940 818 E 4.2852 8.5104 123.9162 55.8162 32.0623 175.7193 819 G 3.7661 8.4992 108.5465 45.3204 0.0000 172.8487 820 E 4.0852 8.6962 118.6111 58.7357 29.7079 176.5045 821 Y 4.9926 7.2534 113.3304 55.0318 41.3462 174.1418 822 G 4.2471 8.6921 108.7350 43.6991 0.0000 172.7812 823 F 4.8068 8.6888 122.7740 56.0846 41.9425 174.2352 824 I 4.1384 7.9088 128.4073 59.4884 38.2134 174.4217 825 G 3.9593 8.0001 113.2563 43.1077 0.0000 170.1953 826 K 4.4062 8.2852 119.8124 53.8828 33.6415 175.8370 827 S 4.2915 8.5534 120.8582 58.1112 63.4543 173.8990 828 I 3.9330 8.0650 121.9720 60.0681 36.7741 174.6648 829 P 4.3245 0.0000 0.0000 62.9997 31.8092 176.8980 830 T 4.0410 8.6877 120.1628 66.5121 68.6572 175.2792 831 D 4.6574 7.9712 118.4097 55.0833 42.7934 176.2092 832 N 5.0511 7.5902 116.0622 51.5033 39.0957 173.0905 833 P 4.2159 0.0000 0.0000 65.6064 32.4095 179.1217 834 A 4.4335 7.5798 119.6921 53.6540 18.4315 178.1730 835 G 3.9388 7.8531 101.6657 45.5784 0.0000 173.6717 836 Q 4.1196 7.8051 123.4318 57.1935 29.8015 175.9279 837 R 4.7067 7.8077 120.7076 55.8120 32.2023 173.6778 838 I 4.2634 8.0229 119.9287 59.4001 40.5606 174.7278 839 I 4.3517 7.9421 127.4294 59.6650 38.7554 174.8966 840 F 4.7570 8.7624 126.8220 56.1928 40.5935 174.7529 841 C 5.3000 8.6549 123.2097 57.5784 34.4352 173.7022 842 G 3.9147 9.0972 111.6917 46.8503 0.0000 172.9024 843 G 4.3980 7.5727 108.5444 43.2793 0.0000 172.3732 844 E 4.0257 8.8471 116.2128 58.1346 29.8338 176.1962 845 G 4.1645 7.4582 106.2393 43.4278 0.0000 171.8881 846 T 3.8607 8.1039 112.4294 64.3672 67.8031 175.1131 847 S 3.7977 7.1353 116.7691 57.4009 62.9341 174.7642 848 S 4.4216 8.6334 121.8025 60.6253 63.1394 176.1583 849 T 3.9451 7.4709 111.3822 64.4503 68.5727 175.5360 850 T 4.0760 7.7163 118.6713 65.6979 68.8451 174.4621 851 G 4.0879 7.1854 105.7165 45.0952 0.0000 173.4234 852 A 4.5044 8.1849 122.0064 52.3890 19.5845 176.7323 853 Q 5.2058 9.5746 119.6609 54.2165 33.7498 174.5181 854 I 5.0441 8.7740 121.4572 60.0000 41.3685 174.4165 855 T 4.9746 8.6997 123.7630 61.7285 71.3832 173.1571 856 L 4.8025 8.5371 127.2124 53.5173 43.0347 175.3976 857 Y 4.5200 9.4178 123.6000 57.0214 39.5968 176.3419 858 G 4.3533 9.2033 111.5468 45.6673 0.0000 173.9615 859 A 4.4596 8.5830 120.5660 53.7208 19.0261 179.1057 860 N 4.3374 8.2548 111.9544 54.6965 39.0824 174.6374 861 N 4.6661 7.4971 117.5099 53.2934 39.7934 174.6918 862 T 4.0601 8.2946 122.8787 66.8605 68.8408 174.9821 863 D 4.6481 8.1621 123.5905 51.7599 39.5611 174.8961 864 S 4.2527 8.0611 115.9801 60.1114 63.0753 174.3133 865 R 4.1252 8.5186 124.5263 55.8629 28.4606 176.2652 866 R 4.2002 7.4468 116.8161 56.0360 31.4936 174.9715 867 I 5.5021 8.0949 124.4016 58.4512 40.5305 174.7869 868 V 4.3706 8.4182 125.9303 61.2850 34.2199 173.4447 869 Y 4.8234 8.8781 125.7100 56.6414 39.4869 174.9174 870 N 4.9767 9.6762 125.0058 51.9303 40.8222 173.1767 871 G 4.4487 8.3670 111.4754 44.9823 0.0000 170.2731 872 D 4.8199 8.6658 117.8388 54.3648 41.3244 176.8987 873 E 4.4838 7.6096 118.5444 55.4315 33.3838 174.0949 874 H 4.5849 8.7800 121.2371 54.1105 29.5636 173.8282 875 L 4.5061 8.0822 125.0832 52.7933 42.9581 176.5311 876 F 4.4558 8.7866 123.6165 56.0975 39.5564 175.2645 877 Q 4.5656 8.4295 126.7092 55.4926 30.8507 176.6199 878 S 4.1372 9.8495 117.3711 58.9253 61.3240 170.0411 879 A 4.6236 7.5646 121.2281 50.4936 22.0992 175.9112 880 D 4.3344 8.5863 120.7084 54.7754 41.4059 177.2265 881 V 3.7931 8.0009 121.5072 61.6798 31.0528 175.3148 882 K 4.6617 8.0042 125.8791 53.6774 35.2456 174.6243 883 P 4.5589 0.0000 0.0000 62.2691 32.2484 176.4095 884 Y 3.9663 8.7082 122.6551 60.7440 38.9012 176.2988 885 N 4.7683 8.0387 114.6244 51.9693 40.3344 173.5378 886 D 4.5356 8.4763 118.8493 54.1682 42.4230 175.7370 887 N 4.2112 8.8420 126.0552 54.9154 37.0547 174.0179 888 V 4.4957 7.5058 107.5488 60.6839 35.0460 176.3134 889 T 4.6351 7.8990 107.8968 59.5040 71.3290 172.8690 890 A 4.6661 8.2828 124.9448 50.3844 21.5995 176.6124 891 L 4.3922 8.3999 119.9903 56.0379 41.6073 177.3770 892 G 3.6370 10.0236 113.4132 45.9127 0.0000 170.8235 893 G 3.9046 7.8210 105.6767 44.3564 0.0000 172.7719 894 P 4.1010 0.0000 0.0000 65.4750 31.1249 178.4986 895 S 4.2281 7.2826 108.8937 57.6356 62.8998 173.9846 896 N 4.8481 7.6318 113.2051 51.5195 39.2243 174.8000 897 R 4.1969 7.3890 116.6172 55.6991 31.5917 176.9658 898 F 4.6647 8.3756 120.5469 56.6130 40.0494 176.1458 899 T 3.9642 8.8805 115.6788 64.9102 68.5626 173.5186 900 T 4.1322 7.0948 108.3794 61.2964 70.9348 171.2886 901 A 4.7526 8.4305 123.1822 50.5960 21.6157 174.9143 902 Y 4.5240 8.6694 119.0319 56.2532 39.5034 175.4729 903 L 4.9047 8.2859 123.8266 52.9324 45.4934 176.8795 904 G 3.8514 8.6613 109.3151 46.7890 0.0000 173.1939 905 S 4.5748 7.3579 112.4722 57.0201 65.7539 173.4445 906 N 4.5550 8.4322 118.1929 52.1179 38.8762 173.7563 907 P 4.3131 0.0000 0.0000 63.2578 32.0221 175.5851 908 I 4.4706 8.1689 121.7615 59.4753 39.0350 175.2753 909 V 4.4663 8.2174 124.0259 61.2758 33.7431 174.4499 910 T 4.5952 8.1528 119.2066 60.9846 70.4242 173.0405 911 A 4.2135 8.6475 128.7298 52.0971 19.7451 176.8341 912 N 4.2817 8.9792 113.6493 54.7235 37.6510 174.9917 913 G 3.9762 8.3153 103.6775 45.2198 0.0000 173.9224 914 E 4.0777 7.5698 118.7148 56.3247 30.0136 176.4930 915 R 4.4215 8.3291 120.8806 54.8607 31.2644 176.4192 916 K 4.4798 8.2659 122.5467 54.5155 33.9314 176.4603 917 T 3.9509 8.1326 111.4426 61.2860 69.0897 173.4866 918 E 3.8915 8.5117 123.1335 55.5325 29.9262 174.7863 919 P 4.0916 0.0000 0.0000 63.3353 31.8394 175.6322 920 V 4.3826 7.8521 121.6302 60.5938 34.0277 175.4006 921 V 3.9019 7.9725 117.7225 60.8990 32.1280 176.0386 922 F 4.0740 8.7601 120.7685 56.9232 39.0627 176.3542 923 D 4.6653 8.5576 126.2157 53.2981 41.3701 176.9341 924 D 4.4583 8.7545 120.5836 57.5639 40.6701 178.9352 925 A 4.0954 8.0139 120.0746 55.1468 18.8775 179.0221 926 F 4.2566 8.6237 119.2138 61.4291 39.2803 177.5440 927 L 4.3256 8.4962 118.4337 57.6749 41.1454 179.1143 928 D 4.6170 8.1530 118.2275 56.7977 41.0023 177.9127 929 A 3.8626 7.7159 120.7610 53.9617 18.7738 179.2787 930 W 3.9728 7.6230 127.2448 60.1486 30.4395 178.2270 931 G 3.4589 7.9418 104.2298 46.9836 0.0000 174.4637 932 D 4.3570 7.5799 119.5348 54.3496 41.2850 176.8409 933 V 3.0200 6.3213 120.5088 62.5303 31.7621 174.6108 934 H 4.6495 7.9091 124.0102 54.1359 30.5312 173.2916 935 Y 4.8146 8.3469 121.9234 56.6820 39.0126 174.8865 936 I 4.7923 9.0852 117.3481 59.4525 41.7095 173.9504 937 M 5.2568 8.4146 121.5965 54.3738 34.7033 174.6699 938 Y 4.7477 7.9498 118.1635 57.0039 42.0249 172.5148 939 Q 4.5570 8.4240 117.1942 54.2378 33.5066 174.6859 940 W 4.8100 8.5808 119.9627 55.7981 30.5907 177.8768 941 L 4.0906 8.9340 122.7472 58.2203 40.8815 179.6846 942 D 4.3795 8.2447 117.0430 57.1929 41.2088 178.1409 943 A 4.2094 8.1770 120.8280 55.3527 18.3053 179.6840 944 V 3.5985 8.0505 115.7815 66.1816 31.6370 177.6480 945 Q 4.1415 8.2206 118.6497 57.8440 29.5926 176.4954 946 L 4.7965 7.4053 119.1288 53.5242 42.0917 177.1162 947 K 3.5555 7.9756 115.7242 56.7968 32.6731 176.6720 *951 A 4.0586 8.4148 125.5230 51.9986 18.8701 176.3962 952 R 4.2292 8.3908 121.0080 56.3941 31.2747 176.0046 953 I 4.4289 7.7754 120.0603 60.0361 38.8703 175.0235 954 H 4.4845 8.0535 123.4930 53.9065 31.8713 173.7879 955 F 5.7094 8.9766 119.2523 55.2144 41.2650 176.2930 956 G 4.0076 7.8352 106.0037 45.4751 0.0000 172.0241 957 V 4.5889 7.6471 121.2250 59.7946 34.3833 174.7476 958 I 3.5995 8.1402 124.0194 61.1022 37.8565 176.8129 959 A 3.9413 8.7067 127.2137 55.4156 18.2386 179.6182 960 Q 3.6233 7.9239 117.6423 58.9549 29.0862 178.2772 961 Q 3.7992 7.6249 119.0537 58.8872 28.6687 178.3859 962 I 3.1179 7.2921 121.2356 63.8977 37.1435 178.0529 963 R 3.6746 7.5404 119.3486 59.5429 29.7630 178.2319 964 D 4.2565 8.0298 118.8300 57.1981 40.5089 178.8736 965 V 3.4771 7.1989 117.7006 66.1794 31.7186 177.6061 966 F 4.7138 7.9620 117.4755 61.0882 38.6479 177.9082 967 I 3.9311 8.0568 119.0573 63.8593 36.6079 177.2964 968 A 4.6089 7.8743 119.5351 52.5169 18.2812 177.3735 969 H 4.6856 7.7663 112.9642 55.8846 31.3823 174.9108 970 G 4.0660 8.4260 108.4971 45.7059 0.0000 175.3822 971 L 4.1121 7.6260 118.5083 56.7710 41.8194 175.7988 972 M 4.6499 7.3008 116.9506 54.6692 35.4605 173.6207 *975 N 4.6538 8.5167 116.1626 52.9088 40.1884 174.1319 976 S 4.4190 7.9901 110.6414 58.0147 63.7691 174.1915 977 T 3.9906 8.2760 110.8877 62.2120 69.1470 173.8120 978 N 4.8558 7.8460 121.2715 51.8358 40.2289 173.2583 979 C 4.5889 8.6567 126.1568 58.7449 32.5948 173.5044 980 R 3.8882 8.6826 125.6236 58.5358 30.0108 176.1177 981 Y 4.6284 7.7682 113.5875 56.1424 39.8244 175.3758 982 A 4.4294 8.5129 124.4997 54.0046 19.6391 179.4759 983 V 4.0694 8.0191 114.8529 63.3397 32.5122 175.6184 984 L 5.1670 8.0907 123.1484 53.9871 44.7911 175.0015 985 C 5.0056 9.4029 124.9028 58.1905 30.8796 172.7628 986 Y 4.3952 8.5320 124.7953 56.5551 40.1435 174.2504 987 D 4.4311 6.9699 122.9759 52.5982 45.9524 173.9702 988 K 4.6819 8.3569 123.6669 54.5567 34.5334 174.6214 989 Y 4.9358 8.1047 124.7817 54.7227 41.5994 173.6462 990 P 4.9151 0.0000 0.0000 61.6847 33.2439 175.6047 991 R 4.3826 8.4318 116.9678 56.4168 30.8046 175.5652 992 M 4.6084 8.6160 122.0539 54.1456 34.0196 174.8004 993 T 5.1570 8.3175 115.2962 60.3171 72.4430 172.4527 994 D 4.8418 8.6921 120.1145 53.2838 45.3202 174.0857 995 T 4.9167 8.6683 115.1942 61.3124 69.9840 173.9989 996 V 4.7287 8.8278 126.3280 60.3462 35.2188 174.3954 997 F 3.3231 9.0133 129.1446 58.8616 39.2621 173.4883 998 S 4.3185 7.2721 120.4426 58.5949 63.5399 173.3050 999 H 4.0487 6.2207 112.0272 54.9313 31.0236 171.7650 1000 N 5.2104 8.4146 116.9047 52.1892 40.1504 174.1601 1001 E 4.7026 8.9615 121.9226 54.7348 32.5540 175.0381 1002 I 4.5990 8.2427 122.4321 60.8378 38.6593 175.2761 1003 V 4.4157 9.0384 126.5491 61.0950 34.3742 173.8627 1004 E 4.9644 8.6494 126.4868 55.2534 31.4286 174.9634 1005 H 4.9180 9.0892 121.0647 54.3154 31.8314 172.8568 1006 T 5.0913 8.5697 120.2829 61.8625 70.5536 174.1664 1007 D 4.7418 8.3965 126.9350 52.2954 41.6142 176.5272 1008 E 4.1749 8.5828 116.9983 58.6698 29.6450 177.5798 1009 E 4.1805 8.2246 117.1973 56.6741 29.8854 177.3834 1010 G 3.9555 7.8320 106.5631 44.6307 0.0000 173.4590 1011 N 4.4122 8.1776 118.2825 53.4730 39.6049 173.9183 1012 V 4.6533 8.4348 124.4347 61.7059 33.0912 174.7955 1013 T 4.6753 9.1219 123.1138 60.8382 70.4243 172.6394 1014 T 5.2686 8.2031 118.0786 62.4902 72.7549 173.8706 1015 T 4.7426 8.6021 118.6199 62.4867 73.7597 172.6123 1016 E 5.0799 8.7751 124.1264 55.1318 31.0149 175.2309 1017 E 4.8873 9.0594 124.9461 53.3888 32.7950 174.1772 1018 P 4.9744 0.0000 0.0000 62.5875 32.5562 175.6082 1019 V 4.4186 8.6888 121.7042 61.4726 33.8004 173.9803 1020 Y 5.0680 8.7784 124.8085 56.7919 40.7413 175.2070 1021 T 4.7595 8.4728 116.9494 61.7699 73.5157 172.8650 1022 E 4.6078 8.9064 126.5272 56.2827 30.4886 176.1012 1023 V 4.5411 8.8864 120.5938 59.2444 35.3149 175.1610 1024 V 4.0076 8.3795 124.8141 63.2251 31.3060 175.7214 1025 I 4.2468 9.0676 130.0764 64.0131 38.0371 176.0326 1026 H 4.6529 7.5304 113.4171 54.8169 31.0644 174.0364 1027 E 4.8148 8.9438 120.7995 55.1924 30.9738 175.8956 1028 E 4.3980 8.5013 118.9695 57.3444 30.5042 176.3594 1029 G 3.8222 7.5355 107.1824 45.9087 0.0000 171.3600 1030 E 4.7675 8.0894 117.0458 54.7472 33.4436 174.3100 1031 E 4.7736 7.9850 117.6775 55.1573 33.7235 173.7179 1032 W 5.1858 9.1143 125.8620 55.1354 31.1528 175.3666 1033 G 4.4405 9.6000 111.7553 44.5497 0.0000 171.5235 1034 V 5.2130 8.2611 111.4049 59.9282 36.4133 175.9290 1035 R 4.5175 8.6393 121.2474 54.0248 31.1426 175.1714 1036 P 4.0086 0.0000 0.0000 65.7154 31.2534 178.3054 1037 D 4.5724 8.2096 117.4348 57.1119 40.8872 178.7481 1038 G 3.8912 8.4129 106.4761 48.0450 0.0000 175.8578 1039 I 4.1891 7.8373 121.7891 64.1677 37.2682 178.1483 1040 F 4.8139 7.7957 117.8580 59.9097 38.9143 178.1032 1041 F 4.3815 8.1714 117.7857 60.3249 38.7398 177.5434 1042 A 3.2174 8.1122 120.3978 55.0030 18.1060 179.4390 1043 E 4.6048 8.4503 117.4075 59.1854 29.5700 178.8899 1044 A 4.0368 8.0337 120.6944 54.9008 18.4322 179.5143 1045 A 3.7667 7.4528 118.7967 55.4731 18.2934 179.1969 1046 Y 4.0817 8.3893 118.4516 61.0508 38.7838 178.4170 1047 Q 3.9779 8.4375 118.9831 58.7750 28.8881 178.6606 1048 R 3.9930 7.8479 119.0959 59.0704 30.0092 179.0757 1049 R 3.8919 8.0250 118.7465 59.1223 30.0685 178.7726 1050 K 3.8332 7.5197 118.3865 59.4469 32.0550 179.3016 1051 L 3.9914 8.2395 119.6330 57.6687 41.5672 179.3216 1052 E 3.9201 8.1146 118.4956 59.7562 29.0662 179.7916 1053 R 4.0545 8.1781 117.2133 58.5263 30.0718 178.6411 1054 I 3.6773 7.7384 119.3981 62.9258 37.2550 177.2895 1055 E 4.2481 8.0490 118.7428 57.8298 29.6371 178.4225 1056 A 4.0353 7.8854 121.1674 54.8495 18.2800 179.7649 1057 R 3.8020 7.4833 116.2508 59.5013 30.0494 179.0899 1058 L 4.0454 7.6417 118.3493 57.9812 41.6365 178.4409 1059 S 4.5628 8.0471 114.0626 59.9916 62.2311 175.6050 1060 A 4.1753 7.7870 122.3370 54.2483 18.1733 179.3105 1061 L 4.0581 7.3658 116.5175 57.5490 41.5570 177.9865 1062 E 3.9359 8.2149 116.3387 59.1073 29.4757 176.9442 1063 Q 3.7227 7.3129 120.6733 55.9434 30.6397 172.7574 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 8.44 4.70 0.00 3.12 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 801 V 8.23 4.31 2.10 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 0.74 0.00 0.00 0.94 0.00 0.00 802 T 9.09 4.57 4.29 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 1.20 0.00 0.00 803 I 8.32 4.18 1.88 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 0.96 0.92 0.00 0.00 804 R 8.20 4.68 0.00 1.77 1.82 0.00 3.23 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 805 A 8.55 5.31 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 *811 I 8.35 4.25 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 0.65 0.91 0.00 0.00 812 R 7.47 4.59 0.00 1.94 2.01 0.00 2.95 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 813 S 8.53 4.71 0.00 4.00 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 0.00 814 E 8.38 4.51 0.00 1.89 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 0.00 2.19 2.29 0.00 815 V 8.46 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 0.91 0.00 0.00 0.94 0.00 0.00 816 L 8.53 4.73 0.00 1.64 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 817 M 8.50 4.55 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 818 E 8.51 4.29 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 2.28 2.29 0.00 819 G 8.50 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 820 E 8.70 4.09 0.00 1.98 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 2.55 2.41 0.00 821 Y 7.25 4.99 0.00 3.09 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 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1.61 0.00 992 M 8.62 4.61 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 993 T 8.32 5.16 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 1.20 0.00 0.00 994 D 8.69 4.84 0.00 2.82 2.54 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 0.00 995 T 8.67 4.92 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 1.29 0.00 0.00 996 V 8.83 4.73 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 1.00 0.00 0.00 1.07 0.00 0.00 997 F 9.01 3.32 0.00 2.59 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 0.00 998 S 7.27 4.32 0.00 3.68 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 0.00 999 H 6.22 4.05 0.00 3.12 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1000 N 8.41 5.21 0.00 2.76 2.85 0.00 0.00 6.44 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 8.96 4.70 0.00 2.05 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 0.00 2.37 2.28 0.00 1002 I 8.24 4.60 1.87 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 1.24 0.57 0.91 0.00 0.00 1003 V 9.04 4.42 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 0.86 0.00 0.00 0.93 0.00 0.00 1004 E 8.65 4.96 0.00 1.84 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 2.22 2.30 0.00 1005 H 9.09 4.92 0.00 3.04 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 T 8.57 5.09 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 1.22 0.00 0.00 1007 D 8.40 4.74 0.00 2.88 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 1008 E 8.58 4.17 0.00 1.98 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 2.31 2.33 0.00 1009 E 8.22 4.18 0.00 2.09 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 2.61 2.39 0.00 1010 G 7.83 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 1011 N 8.18 4.41 0.00 3.00 2.78 0.00 0.00 6.62 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 1012 V 8.43 4.65 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 0.76 0.00 0.00 1.00 0.00 0.00 1013 T 9.12 4.68 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 1.29 0.00 0.00 1014 T 8.20 5.27 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 8.60 4.74 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 1.29 0.00 0.00 1016 E 8.78 5.08 0.00 1.87 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 2.26 2.34 0.00 1017 E 9.06 4.89 0.00 1.86 1.85 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 2.25 2.40 0.00 1018 P 0.00 4.97 0.00 2.39 2.25 0.00 3.37 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 1019 V 8.69 4.42 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 0.85 0.00 0.00 0.80 0.00 0.00 1020 Y 8.78 5.07 0.00 2.87 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 1021 T 8.47 4.76 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 1.21 0.00 0.00 1022 E 8.91 4.61 0.00 2.01 1.88 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 2.31 2.36 0.00 1023 V 8.89 4.54 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 0.80 0.00 0.00 0.96 0.00 0.00 1024 V 8.38 4.01 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 0.80 0.00 0.00 0.93 0.00 0.00 1025 I 9.07 4.25 1.94 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 1.28 0.95 0.93 0.00 0.00 1026 H 7.53 4.65 0.00 3.19 3.33 0.00 5.64 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 8.94 4.81 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 2.32 2.27 0.00 1028 E 8.50 4.40 0.00 2.02 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 2.30 2.22 0.00 1029 G 7.54 3.82 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 0.00 0.00 0.00 1030 E 8.09 4.77 0.00 1.61 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 2.14 2.35 0.00 1031 E 7.99 4.77 0.00 2.10 1.85 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 2.24 2.44 0.00 1032 W 9.11 5.19 0.00 3.25 3.20 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 1033 G 9.60 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 5.21 2.22 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 0.82 0.00 0.00 0.99 0.00 0.00 1035 R 8.64 4.52 0.00 1.89 1.97 0.00 3.27 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 1036 P 0.00 4.01 0.00 2.23 2.13 0.00 3.66 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 2.20 2.25 0.00 1037 D 8.21 4.57 0.00 2.83 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 1038 G 8.41 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 1039 I 7.84 4.19 1.78 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 2.03 0.84 1.14 0.00 0.00 1040 F 7.80 4.81 0.00 2.93 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 1041 F 8.17 4.38 0.00 3.39 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 1042 A 8.11 3.22 0.19 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 0.00 0.00 0.00 1043 E 8.45 4.60 0.00 2.91 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 2.47 2.61 0.00 1044 A 8.03 4.04 1.48 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 0.00 0.00 1045 A 7.45 3.77 0.64 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 1046 Y 8.39 4.08 0.00 3.19 3.24 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 Q 8.44 3.98 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 1048 R 7.85 3.99 0.00 1.94 1.97 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 1049 R 8.02 3.89 0.00 1.88 1.82 0.00 3.23 0.00 0.00 3.21 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 7.52 3.83 0.00 1.77 1.71 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 0.91 7.81 1051 L 8.24 3.99 0.00 1.78 1.70 0.90 0.82 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 1052 E 8.11 3.92 0.00 2.29 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 2.33 2.45 0.00 1053 R 8.18 4.05 0.00 1.94 1.96 0.00 3.07 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 1054 I 7.74 3.68 2.07 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 1.50 0.57 0.90 0.00 0.00 1055 E 8.05 4.25 0.00 2.17 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 2.28 2.55 0.00 1056 A 7.89 4.04 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 1057 R 7.48 3.80 0.00 1.74 1.98 0.00 3.14 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 1058 L 7.64 4.05 0.00 1.89 1.71 0.92 1.02 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 1059 S 8.05 4.56 0.00 4.19 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 1060 A 7.79 4.18 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 1061 L 7.37 4.06 0.00 1.67 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1062 E 8.21 3.94 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 1063 Q 7.31 3.72 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.