NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 802 A 4.3436 8.2649 123.5862 52.1190 20.5120 177.9234 803 S 4.3429 7.9585 109.2722 58.6087 63.8103 172.8854 804 N 3.6964 8.0817 119.8997 53.2639 39.7436 173.8721 805 I 4.2130 7.7595 117.8689 60.6171 38.4940 176.6864 806 V 3.4090 7.9075 123.1911 65.3865 31.5040 174.7581 807 P 4.6475 0.0000 0.0000 63.6200 31.4398 176.5693 808 G 3.8813 8.8339 110.6000 45.0102 0.0000 173.7146 809 A 4.2053 7.5653 122.3938 52.7242 19.1551 176.7222 810 T 4.6049 8.3129 117.0510 61.7617 71.4430 174.1344 811 V 4.4563 8.2895 125.4171 62.5762 31.5700 175.4349 812 I 4.3718 8.5100 121.9158 61.4891 39.2039 174.9841 813 D 4.6263 7.8319 120.2335 54.1973 44.3574 174.1972 814 S 5.0044 8.5163 116.2984 57.5607 65.9386 174.1732 815 T 4.6794 8.3693 109.1906 61.7263 68.1403 174.4288 816 F 4.8674 7.8310 118.1963 55.7610 42.1679 174.0789 817 P 4.3788 0.0000 0.0000 62.5671 31.7213 176.4648 818 K 4.1645 8.5611 122.0627 56.8809 32.4868 177.0524 819 T 4.3416 8.0532 118.2356 62.7224 72.1301 173.0614 820 E 4.1508 9.0491 127.5269 55.8976 29.9686 176.7460 821 G 4.6965 8.2094 119.6606 45.4836 0.0000 173.0205 822 G 3.6583 8.1005 109.6989 46.3477 0.0000 173.7656 823 E 3.8196 8.8108 121.7433 57.2398 27.0509 174.1984 824 G 4.2072 7.5178 107.5916 44.4718 0.0000 173.9933 825 I 2.6614 8.1326 119.5992 64.1883 36.7567 177.9296 826 E 3.9918 8.1337 119.0549 59.0265 29.4075 179.2785 827 G 4.6460 7.7528 106.6212 45.2556 0.0000 174.3690 *829 L 4.2571 8.0025 121.6107 54.1537 43.4743 178.4768 830 N 4.4050 7.6697 114.2056 53.4436 37.5261 176.2619 831 G 3.9517 8.2350 106.9792 45.6445 0.0000 173.2289 832 T 4.7582 7.8996 108.1635 59.7888 71.4906 174.3245 833 I 4.6037 7.8473 122.7742 59.8944 37.1590 175.3001 834 T 3.9794 9.1502 118.0908 63.3162 68.0704 174.1192 835 S 4.7174 7.4724 114.4703 57.9674 64.4498 177.5654 836 L 4.4336 8.8294 119.3310 56.7818 41.2513 178.4731 837 S 4.4798 7.7978 111.0682 58.6715 63.8087 173.5863 838 D 4.7825 7.9383 122.1271 54.1189 40.9518 174.6077 839 K 4.6549 7.3773 116.6734 54.9929 37.3653 174.7929 840 W 5.2424 8.8534 130.3002 56.0902 32.1764 174.7652 841 S 5.2897 8.5658 121.0885 55.5202 65.0863 172.8861 842 S 4.6851 7.7564 118.7982 56.5989 65.5313 174.4742 843 A 4.0488 8.7763 127.4554 54.1955 18.4706 177.6586 844 Q 4.1886 8.2017 118.6483 55.8629 29.0158 176.4001 845 L 4.1718 8.5540 125.1965 55.8823 42.1502 176.6974 846 S 4.7607 7.3297 112.1115 56.4096 66.1078 173.9153 847 G 3.7967 7.3431 109.7917 44.7682 0.0000 171.2118 848 S 5.4671 8.2074 113.7945 56.4526 66.6156 173.3915 849 V 4.7296 9.1074 120.5245 61.3434 34.7426 173.6788 850 D 5.6157 9.4967 128.3172 52.6864 42.9057 175.4699 851 I 5.0483 9.2108 117.3679 58.9825 41.4084 174.4873 852 R 5.0952 8.8824 124.3147 54.4465 32.0381 175.3688 853 L 4.5268 8.9108 127.3424 54.6020 42.0054 177.8162 854 T 3.9628 8.4980 111.0351 64.5883 68.7571 173.9646 855 K 4.6644 7.4783 118.2445 54.5535 35.6595 174.1074 856 P 4.6660 0.0000 0.0000 63.2741 31.9397 176.1757 857 R 4.8313 9.0447 121.3134 54.9226 35.0547 174.8575 858 T 4.8457 9.3732 119.2182 62.3456 69.5456 173.4326 859 V 4.4859 9.0547 127.7981 62.0132 32.7783 176.5658 860 V 4.4407 9.0909 119.6126 61.3102 34.7029 175.4347 861 R 5.2044 8.0635 119.0608 54.3145 33.4860 174.0901 862 W 5.4335 9.7576 135.0000 56.1166 34.0365 174.0670 863 V 5.3230 8.9466 127.7505 60.1784 35.1538 173.3335 *865 D 4.5358 8.4260 119.4570 54.7854 42.1550 175.8958 866 H 4.6270 8.7205 122.3240 54.4441 31.9839 175.7043 867 A 4.4358 8.6832 122.0962 55.9538 18.1090 180.0596 868 G 3.5960 8.8457 104.1490 47.1788 0.0000 175.7822 869 A 4.1015 7.7975 122.2721 54.1319 18.4020 178.8747 870 G 2.6289 7.4134 101.5638 44.0048 0.0000 174.2377 871 G 3.8235 7.6941 108.6689 45.0816 0.0000 173.0545 872 E 4.4236 8.1883 119.8494 55.0886 31.3245 176.3534 873 S 3.8087 8.7054 119.8609 59.3130 60.6835 174.0037 874 V 3.6098 7.8078 113.8943 64.2258 31.9492 178.0454 875 N 4.5968 8.2135 116.6456 54.5353 37.6356 175.3499 876 D 4.7321 7.9755 115.5721 51.7762 41.4137 176.7323 877 G 4.0092 8.4576 106.8199 46.2872 0.0000 175.5040 878 L 4.2150 7.9281 120.6883 54.0150 40.8830 176.7263 *880 N 4.7350 8.0665 114.8256 52.9415 39.8805 174.5826 881 T 4.2181 8.3830 118.1670 63.8055 69.3767 172.8922 882 K 4.9520 9.0472 126.2801 57.1690 34.2437 175.3323 883 D 5.6611 7.7832 119.3439 52.4496 44.1548 174.7170 884 F 5.3135 8.3802 115.3709 56.2877 41.4926 172.7603 885 D 5.4692 9.3422 121.0056 52.4886 45.3194 174.1589 886 L 4.8624 8.7457 123.1249 53.5263 44.3690 174.9099 887 Y 5.4297 9.4184 123.4419 56.4029 42.1862 174.0524 888 Y 4.9577 9.1404 118.6699 55.0714 41.8377 174.0162 889 K 3.8323 7.7816 123.3630 55.0387 33.0674 176.5338 890 D 4.6698 8.4908 127.7368 52.0424 40.7420 176.9964 891 A 3.9194 8.4928 121.7256 55.5470 18.1836 178.6152 892 D 4.3476 7.9613 113.0203 55.6619 41.0645 177.2182 893 G 3.7582 8.2225 107.7231 44.9359 0.0000 172.6413 894 E 4.5637 8.2460 119.3974 54.0030 31.7090 175.4890 895 W 4.5993 8.6599 124.1762 56.5283 30.1148 175.8063 896 K 4.6536 8.9736 123.6042 54.0639 35.5669 175.2790 897 L 3.7281 8.5758 125.9942 55.1921 41.9684 176.2402 898 A 4.5010 8.9109 129.1808 54.2185 19.9475 177.6789 899 K 4.3694 7.3554 112.8100 55.5301 35.6702 173.7142 900 E 5.2673 8.9106 125.2685 53.7655 32.0715 175.2092 901 V 4.3054 8.4505 122.3783 61.0407 34.3926 174.2858 902 R 4.8890 8.3084 125.8910 55.2515 33.2038 175.6927 903 G 3.8601 9.8808 111.8183 45.6259 0.0000 173.1485 904 N 4.4347 7.9944 118.4461 53.6555 39.3243 175.2170 905 K 4.5350 8.3281 121.3519 55.4219 34.1410 176.3010 906 A 4.1788 8.0113 120.4110 52.7572 19.1496 177.2654 907 H 4.4933 8.6566 117.3285 58.1524 29.1755 176.0036 908 V 4.8157 7.5834 117.6379 61.0887 34.6717 174.7449 909 T 4.5599 8.5181 117.2812 59.9802 71.2200 172.4857 910 D 4.6379 8.7767 125.2473 52.4279 43.3825 174.0936 911 I 4.6008 8.7431 127.3543 59.5032 40.1044 175.2595 912 T 4.6944 8.6208 124.3809 63.1236 69.0100 174.9224 913 L 4.3096 9.0606 126.8220 54.5984 42.0357 177.1356 914 D 4.5715 8.8822 121.4723 57.2068 41.0385 177.2905 915 K 4.6608 7.5722 114.6031 54.3122 35.3355 173.6363 916 P 4.6095 0.0000 0.0000 63.4959 32.1147 175.6775 917 I 4.3716 8.7823 124.0857 59.7516 40.5209 174.5167 918 T 5.1064 8.3926 123.7331 62.5554 69.4110 173.9543 919 A 4.4125 8.9972 126.9280 51.3070 22.7093 176.0868 920 Q 4.3688 8.6844 120.0482 57.3517 31.5846 175.0345 921 D 5.5109 7.7356 118.9241 52.8254 42.7772 175.9363 922 W 5.8127 9.6129 122.4198 55.1004 34.0367 174.2369 923 R 5.3004 9.8893 121.8646 54.7370 33.2553 173.3750 924 L 4.9552 9.1600 128.4091 53.1631 44.7074 174.2277 925 N 5.4280 9.2003 124.9615 51.9061 41.6874 173.0922 926 V 4.4308 9.2658 127.8553 62.4448 32.3893 176.0263 927 V 4.0048 8.9493 128.4733 64.8171 32.7414 176.1851 928 T 4.7646 7.7698 117.4357 61.8281 71.3994 174.9221 929 S 4.3364 8.9906 121.3734 59.7959 63.9017 172.9997 930 D 5.1853 7.4507 117.8838 53.7512 41.5962 174.1938 931 N 4.9484 8.8799 115.8852 53.1348 38.9651 175.4244 932 G 3.8104 8.2464 102.5389 46.1952 0.0000 174.5694 933 T 4.0136 7.7337 112.8608 60.9988 67.9192 172.6056 934 P 3.9822 0.0000 0.0000 64.1988 31.5781 177.0739 935 W 4.6789 7.2873 118.0513 54.2919 28.3757 174.9813 936 K 4.1734 8.0253 119.2979 56.4552 32.5705 176.3378 937 A 4.4480 7.5263 122.1274 51.2708 22.9940 175.9149 938 I 3.7352 7.8704 121.0813 61.2213 38.3179 175.9232 939 R 4.5647 8.3015 125.2005 54.6239 33.0411 174.1770 940 I 4.3856 8.5702 125.7431 59.6375 39.6320 176.4584 941 Y 3.9914 9.3536 126.3869 60.8640 38.8319 175.8294 942 N 5.1576 8.0954 113.4407 51.5819 43.0688 173.9234 943 W 5.0957 8.9702 132.5688 55.9467 32.6975 174.5188 944 K 4.6867 9.3896 126.0701 54.7011 36.4871 174.6292 *946 Y 4.6330 8.1552 116.8379 58.2711 39.5051 175.8055 947 E 5.1442 8.9798 121.7954 54.1900 31.1934 176.9288 948 K 4.1883 8.4545 117.9015 57.4887 32.6368 176.8541 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 802 A 8.26 4.34 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 0.00 803 S 7.96 4.34 0.00 4.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 N 8.08 3.70 0.00 2.38 2.63 0.00 0.00 6.90 7.94 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 0.00 805 I 7.76 4.21 1.78 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 1.21 0.49 0.91 0.00 0.00 806 V 7.91 3.41 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 0.68 0.00 0.00 0.49 0.00 0.00 807 P 0.00 4.65 0.00 2.02 1.94 0.00 3.80 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 808 G 8.83 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 0.00 809 A 7.57 4.21 1.15 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 0.00 810 T 8.31 4.60 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 1.21 0.00 0.00 811 V 8.29 4.46 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 0.75 0.00 0.00 0.82 0.00 0.00 812 I 8.51 4.37 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.95 0.00 0.00 813 D 7.83 4.63 0.00 2.73 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 0.00 814 S 8.52 5.00 0.00 4.26 3.83 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 0.00 815 T 8.37 4.68 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 1.11 0.00 0.00 816 F 7.83 4.87 0.00 3.15 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 0.00 817 P 0.00 4.38 0.00 2.11 2.04 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 818 K 8.56 4.16 0.00 1.77 1.78 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 819 T 8.05 4.34 4.31 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 1.25 0.00 0.00 820 E 9.05 4.15 0.00 1.97 1.90 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 2.32 2.32 0.00 821 G 8.21 4.70 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 0.00 0.00 0.00 822 G 8.10 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 0.00 0.00 0.00 823 E 8.81 3.82 0.00 2.16 1.95 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 2.27 2.27 0.00 824 G 7.52 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 0.00 0.00 0.00 0.00 825 I 8.13 2.66 1.50 0.00 0.00 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 -0.30 -0.36 0.49 0.00 0.00 826 E 8.13 3.99 0.00 2.03 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 2.35 2.30 0.00 827 G 7.75 4.65 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 0.00 0.00 0.00 *829 L 8.00 4.26 0.00 1.78 1.64 0.79 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 830 N 7.67 4.40 0.00 2.81 2.93 0.00 0.00 7.02 6.88 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 0.00 831 G 8.23 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 0.00 832 T 7.90 4.76 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 1.28 0.00 0.00 833 I 7.85 4.60 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.59 0.00 0.00 834 T 9.15 3.98 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 1.28 0.00 0.00 835 S 7.47 4.72 0.00 4.08 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 0.00 836 L 8.83 4.43 0.00 1.69 1.83 0.92 1.05 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 0.00 837 S 7.80 4.48 0.00 4.02 3.98 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 0.00 0.00 0.00 838 D 7.94 4.78 0.00 2.76 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 0.00 839 K 7.38 4.65 0.00 1.27 0.74 0.00 1.10 0.00 0.00 0.86 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.15 1.13 7.81 840 W 8.85 5.24 0.00 3.37 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 0.00 841 S 8.57 5.29 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 S 7.76 4.69 0.00 3.69 3.27 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 0.00 843 A 8.78 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 844 Q 8.20 4.19 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 845 L 8.55 4.17 0.00 1.69 1.71 0.92 0.93 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 0.00 846 S 7.33 4.76 0.00 3.98 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 0.00 847 G 7.34 3.80 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 0.00 0.00 0.00 848 S 8.21 5.47 0.00 3.85 4.07 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 0.00 849 V 9.11 4.73 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 1.03 0.00 0.00 0.44 0.00 0.00 850 D 9.50 5.62 0.00 2.93 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 0.00 851 I 9.21 5.05 1.73 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.79 0.00 0.00 852 R 8.88 5.10 0.00 1.88 1.83 0.00 3.11 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 853 L 8.91 4.53 0.00 1.74 1.58 0.91 0.78 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 0.00 854 T 8.50 3.96 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 855 K 7.48 4.66 0.00 1.74 1.78 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.48 7.81 856 P 0.00 4.67 0.00 1.98 2.05 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 2.03 2.26 0.00 857 R 9.04 4.83 0.00 1.77 1.87 0.00 3.50 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 858 T 9.37 4.85 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 1.24 0.00 0.00 859 V 9.05 4.49 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 0.81 0.00 0.00 0.68 0.00 0.00 860 V 9.09 4.44 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 0.73 0.00 0.00 1.07 0.00 0.00 861 R 8.06 5.20 0.00 1.85 1.95 0.00 3.07 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 862 W 9.76 5.43 0.00 3.32 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 V 8.95 5.32 2.32 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 1.28 0.00 0.00 1.17 0.00 0.00 *865 D 8.43 4.54 0.00 2.85 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 0.00 866 H 8.72 4.63 0.00 3.38 3.24 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 A 8.68 4.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 G 8.85 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 0.00 869 A 7.80 4.10 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 0.00 870 G 7.41 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 G 7.69 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 0.00 872 E 8.19 4.42 0.00 2.25 1.90 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 2.26 2.31 0.00 873 S 8.71 3.81 0.00 4.07 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 0.00 874 V 7.81 3.61 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 0.74 0.00 0.00 0.91 0.00 0.00 875 N 8.21 4.60 0.00 2.85 2.96 0.00 0.00 5.81 8.06 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 0.00 876 D 7.98 4.73 0.00 2.77 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 0.00 877 G 8.46 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 0.00 0.00 0.00 878 L 7.93 4.21 0.00 1.81 1.82 0.99 0.77 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 *880 N 8.07 4.74 0.00 2.88 2.72 0.00 0.00 6.98 7.05 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 0.00 881 T 8.38 4.22 3.80 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 1.19 0.00 0.00 882 K 9.05 4.95 0.00 2.00 1.83 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 883 D 7.78 5.66 0.00 2.74 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 0.00 884 F 8.38 5.31 0.00 3.34 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 0.00 885 D 9.34 5.47 0.00 2.71 2.46 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 0.00 886 L 8.75 4.86 0.00 0.27 0.64 0.99 0.20 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 0.00 887 Y 9.42 5.43 0.00 2.92 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 0.00 888 Y 9.14 4.96 0.00 1.60 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 0.00 0.00 0.00 889 K 7.78 3.83 0.00 0.79 0.96 0.00 1.36 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.82 0.24 7.81 890 D 8.49 4.67 0.00 2.93 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 3.92 1.27 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 0.00 0.00 0.00 892 D 7.96 4.35 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 893 G 8.22 3.76 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 0.00 0.00 0.00 894 E 8.25 4.56 0.00 1.92 1.78 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 2.17 2.36 0.00 895 W 8.66 4.60 0.00 3.07 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 0.00 896 K 8.97 4.65 0.00 0.79 1.36 0.00 1.42 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.13 7.81 897 L 8.58 3.73 0.00 1.35 1.47 0.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 898 A 8.91 4.50 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 0.00 899 K 7.36 4.37 0.00 1.90 1.54 0.00 1.72 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.79 1.60 7.81 900 E 8.91 5.27 0.00 2.10 1.83 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 2.15 2.07 0.00 901 V 8.45 4.31 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 0.00 0.00 0.60 0.00 0.00 0.68 0.00 0.00 902 R 8.31 4.89 0.00 1.64 1.75 0.00 3.47 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 1.47 1.52 0.00 903 G 9.88 3.86 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 0.00 0.00 0.00 904 N 7.99 4.43 0.00 2.90 3.13 0.00 0.00 6.58 5.98 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 0.00 905 K 8.33 4.54 0.00 1.68 1.70 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.41 7.81 906 A 8.01 4.18 1.35 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 0.00 907 H 8.66 4.49 0.00 3.21 3.40 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 908 V 7.58 4.82 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 0.89 0.00 0.00 0.94 0.00 0.00 909 T 8.52 4.56 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 1.35 0.00 0.00 910 D 8.78 4.64 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 911 I 8.74 4.60 2.08 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 1.25 0.49 1.10 0.00 0.00 912 T 8.62 4.69 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 1.30 0.00 0.00 913 L 9.06 4.31 0.00 1.63 1.68 1.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 914 D 8.88 4.57 0.00 2.68 2.78 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 0.00 915 K 7.57 4.66 0.00 1.82 1.74 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.47 7.81 916 P 0.00 4.61 0.00 1.97 2.07 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 917 I 8.78 4.37 1.96 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 0.95 0.86 -0.42 0.00 0.00 918 T 8.39 5.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 919 A 9.00 4.41 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 0.00 920 Q 8.68 4.37 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 921 D 7.74 5.51 0.00 2.31 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 922 W 9.61 5.81 0.00 3.45 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 0.00 923 R 9.89 5.30 0.00 1.06 1.69 0.00 2.21 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 924 L 9.16 4.96 0.00 0.34 1.13 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 925 N 9.20 5.43 0.00 2.92 2.84 0.00 0.00 6.44 7.33 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 0.00 926 V 9.27 4.43 2.32 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 0.93 0.00 0.00 1.14 0.00 0.00 927 V 8.95 4.00 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 0.86 0.00 0.00 1.02 0.00 0.00 928 T 7.77 4.76 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 929 S 8.99 4.34 0.00 4.06 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 0.00 930 D 7.45 5.19 0.00 3.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 931 N 8.88 4.95 0.00 2.83 2.83 0.00 0.00 7.18 7.21 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 0.00 932 G 8.25 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 0.00 0.00 0.00 933 T 7.73 4.01 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 1.30 0.00 0.00 934 P 0.00 3.98 0.00 0.49 1.21 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.66 0.00 935 W 7.29 4.68 0.00 3.42 3.02 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 0.00 936 K 8.03 4.17 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.72 1.50 7.81 937 A 7.53 4.45 1.10 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 0.00 0.00 938 I 7.87 3.74 1.23 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 -0.15 0.00 0.00 939 R 8.30 4.56 0.00 1.56 1.71 0.00 3.15 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 940 I 8.57 4.39 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.99 0.00 0.00 941 Y 9.35 3.99 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 942 N 8.10 5.16 0.00 2.82 2.75 0.00 0.00 6.65 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 0.00 943 W 8.97 5.10 0.00 3.33 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 0.00 944 K 9.39 4.69 0.00 1.77 1.50 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.47 7.81 *946 Y 8.16 4.63 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 947 E 8.98 5.14 0.00 2.00 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 2.48 2.26 0.00 948 K 8.45 4.19 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.