NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 824 P 4.3545 0.0000 0.0000 62.4660 31.7257 174.9154 825 N 4.9203 7.7168 122.5026 51.1554 41.9847 171.4166 826 E 4.1574 9.0764 120.7352 56.6624 30.8448 177.2943 827 D 4.1250 8.2272 120.2096 55.2227 41.3452 176.7908 828 W 5.0745 7.3218 117.4902 54.0962 32.6381 174.6066 829 C 4.0108 8.8473 121.1674 59.8517 31.2901 174.9668 830 A 3.9369 8.2259 130.1727 54.8405 18.1714 178.7183 831 V 4.0813 7.8655 115.0253 65.1480 32.2389 176.5141 832 C 4.4408 8.0202 112.3172 57.6189 30.3981 174.9335 833 Q 3.9899 8.4111 118.4457 56.4066 27.0591 173.1582 834 N 4.9073 7.7672 115.0073 52.3717 40.3856 174.6199 835 G 4.6407 8.5538 109.3065 45.4525 0.0000 171.9783 836 G 3.9415 8.7284 105.6785 44.2781 0.0000 174.0452 837 E 4.1605 8.7581 124.6426 56.2393 29.3594 175.8312 838 L 5.0709 8.2747 123.4095 52.7304 45.3235 176.1442 839 L 4.3445 9.1939 123.4548 54.0649 43.1062 175.3439 840 C 5.0446 8.5912 121.5173 58.1992 29.7577 173.3764 841 C 4.8187 8.7906 124.8093 59.5555 31.5910 173.2394 842 E 4.3420 8.5500 123.3892 58.2431 29.6767 177.9538 843 K 4.3051 7.9418 115.7643 57.1825 32.7204 175.5055 844 C 4.8473 7.4967 111.9898 56.0131 32.9012 172.2469 845 P 4.3825 0.0000 0.0000 65.2114 31.2587 177.2509 846 K 4.1080 8.0660 116.6253 57.2718 33.1512 176.4600 847 V 4.8596 7.7930 114.7220 59.9756 36.1188 174.4709 848 F 5.1500 8.9608 120.3269 56.2702 43.8557 174.0159 849 H 4.5663 8.8397 118.1074 55.2798 29.9949 176.3634 850 L 3.5377 8.5843 121.1870 57.9020 41.4497 179.3718 851 S 4.5177 7.6994 108.4083 58.0451 63.6863 174.4445 852 C 4.1326 7.6901 119.0265 62.0539 28.4602 173.8701 853 H 3.9792 7.8545 117.7664 55.6603 30.0350 174.2885 854 V 4.0774 6.9152 122.2705 60.0620 33.2789 173.7102 855 P 4.4954 0.0000 0.0000 62.0483 32.1594 175.9484 856 T 4.0708 8.1178 115.6865 63.4852 68.9653 173.9789 857 L 4.6222 7.8854 126.2200 53.4153 43.3307 177.1312 858 T 4.0671 8.7026 112.2725 64.0751 69.3087 174.1573 859 N 5.0641 7.8068 116.4255 51.0192 42.9595 173.7067 860 F 4.0368 8.7924 118.8571 56.2462 39.5691 174.3123 861 P 4.4841 0.0000 0.0000 62.9374 31.9646 176.7626 862 S 4.2905 8.8512 117.7643 61.8062 63.5278 175.0943 863 G 4.0009 7.6784 110.4779 45.1906 0.0000 172.5224 864 E 4.3912 8.6265 121.8136 56.0576 30.7739 177.3238 865 W 5.2648 8.7344 132.8633 55.7179 34.5673 173.6319 866 I 4.4285 7.3751 126.1603 59.2172 39.9164 175.3268 867 C 3.2992 7.8149 120.7509 57.1028 30.6991 174.5873 868 T 3.7910 8.1388 116.4635 66.6423 67.7778 176.5543 869 F 4.4691 7.6756 118.7941 60.3678 39.1368 176.6156 870 C 4.4229 7.9465 114.2505 60.1003 28.9131 174.3935 871 R 3.9890 7.5978 121.4475 55.6312 30.4949 175.6383 872 D 4.3906 9.0444 125.0570 54.6250 41.7142 177.3566 873 L 4.1166 8.4940 126.3167 57.9335 42.0976 178.8357 874 S 4.2824 8.1738 113.6272 60.9492 63.1501 175.2894 875 K 4.4235 8.9168 122.2910 52.7499 30.4095 172.4002 876 P 4.2938 0.0000 0.0000 61.8403 31.8469 177.4927 877 E 4.2158 8.7624 123.3398 58.6484 29.6999 177.4341 878 V 4.4681 6.8758 108.9909 59.2218 35.5584 174.1292 879 E 4.3766 8.3686 121.7837 54.3402 31.7036 175.3167 880 Y 4.7694 7.9107 123.7829 57.4150 39.1982 176.1309 881 D 4.4409 9.0957 123.5126 56.6885 39.4000 178.5222 882 C 4.2712 8.3356 113.5890 60.0631 29.5941 173.8458 883 D 4.7035 8.1324 118.6219 53.7787 41.7215 176.5070 884 A 4.1729 7.5494 122.0612 52.1814 19.1247 177.6365 885 P 4.4020 0.0000 0.0000 61.8119 31.9618 174.8142 *891 K 4.0974 8.2346 120.1732 56.9836 33.6538 175.0326 892 K 4.0060 8.3564 119.6355 56.3685 32.4696 176.1253 893 K 4.2032 8.4781 125.5715 55.9976 32.5527 176.9365 894 T 4.0405 8.4903 121.5373 63.5706 68.7519 174.2343 895 E 4.2774 8.7851 126.3551 56.3916 30.6908 176.0422 896 G 4.0579 8.6296 107.1451 45.9305 0.0000 173.5938 897 L 4.4890 7.7185 118.5775 53.2180 45.1668 174.5194 898 V 4.2832 8.4675 125.9130 61.1883 32.5909 174.7924 899 K 4.8191 8.2919 125.6838 53.9411 35.3080 175.9673 900 L 4.2459 8.4448 120.8009 55.0123 42.4069 178.2554 901 T 4.2002 8.3432 112.2886 61.0590 70.9120 173.7742 902 P 4.2991 0.0000 0.0000 65.9054 31.3542 179.0240 903 I 3.7130 7.7434 118.0691 64.6680 37.1261 178.1024 904 D 4.6200 8.3035 119.6132 56.9570 40.6539 178.7779 905 K 4.0178 8.2997 120.5096 59.6696 32.2641 179.1801 906 R 4.2785 8.1506 119.7010 58.5962 29.8312 179.2267 907 K 4.0234 8.1852 118.5745 59.4959 31.9266 178.9691 908 C 3.8436 8.0784 119.0936 62.1795 30.8234 175.4729 909 E 3.9491 8.1244 120.4674 59.1375 28.9049 179.3081 910 R 3.7902 8.1129 118.7666 59.3808 30.2342 178.3914 911 L 4.1779 8.2533 119.0537 57.9954 41.5870 179.5990 912 L 4.3191 8.4821 119.0477 57.8745 41.6412 179.3058 913 L 4.0753 8.1757 120.2613 58.2130 41.7084 178.9005 914 F 4.5688 8.5967 116.8672 60.9495 39.2466 177.3969 915 L 4.5688 8.5123 118.5409 58.2394 41.2232 179.1611 916 Y 4.2371 8.8154 117.1345 61.1532 37.6235 177.8631 917 C 4.6487 8.4573 115.3908 60.0995 29.1351 173.2022 918 H 4.5491 8.0285 122.5504 54.8747 30.2103 175.8972 919 E 4.1117 8.6432 124.4660 59.3511 29.4974 177.4996 920 M 4.4708 8.3983 117.1928 55.8905 32.4657 176.6670 921 S 4.8550 8.3364 114.2056 58.9158 64.5425 176.1186 922 L 3.8467 8.3104 122.0294 58.2487 41.2624 178.8752 923 A 4.0240 7.5246 116.9779 53.1875 18.4999 177.5188 924 F 4.9251 8.0095 114.1874 57.0986 40.5194 177.5129 925 Q 3.8219 8.0050 120.7001 58.2224 28.7279 175.8720 926 D 5.3202 7.5837 114.4914 51.1235 44.1146 173.9284 927 P 4.4908 0.0000 0.0000 61.9987 31.8175 176.8671 928 V 3.4564 8.0424 121.7682 62.1736 32.0102 174.2387 929 P 4.5985 0.0000 0.0000 62.1188 31.9632 177.4460 930 L 4.2933 8.3570 119.6840 57.6935 41.7859 178.7714 931 T 3.8427 7.9205 112.2643 64.2671 67.5579 173.7697 932 V 3.8219 7.6283 121.9397 61.3321 31.2958 173.1369 933 P 4.3506 0.0000 0.0000 64.3494 31.6291 175.5314 934 D 4.5122 9.2342 120.7464 55.2145 39.1636 174.8386 935 Y 3.3602 7.9138 121.6756 60.9368 38.5179 177.9393 936 Y 4.3401 7.8712 113.3778 59.1353 38.3784 176.5553 937 K 4.2625 7.8446 118.8775 58.2975 32.9898 178.1681 938 I 3.9063 7.5305 118.5723 63.4958 37.4895 176.4529 939 I 3.9246 7.3257 124.2853 60.1400 36.3627 176.1703 940 K 4.1983 8.5592 126.3219 58.4221 32.3726 177.4634 941 N 4.9789 7.6052 115.4264 50.0373 38.5820 171.9950 942 P 4.5295 0.0000 0.0000 63.0152 32.5421 175.6660 943 M 4.6811 8.2124 118.4279 53.8675 34.9284 173.7001 944 D 4.6713 8.0504 123.1143 51.2241 43.7099 176.3317 945 L 3.9487 8.6662 120.3385 57.8401 41.4087 180.1102 946 S 4.4055 8.3130 115.6411 61.2123 62.8130 176.8106 947 T 3.9217 8.2184 119.4648 66.4153 68.1855 176.9042 948 I 3.8509 7.5294 122.6852 63.6224 36.8918 178.3080 949 K 3.9644 8.4426 120.9464 59.4413 32.0920 178.8118 950 K 3.9753 8.2606 119.8567 59.5983 31.9461 179.0331 951 R 3.9886 8.0204 117.5085 59.1522 29.9555 178.5098 952 L 4.3374 8.0224 119.4796 58.1143 42.2271 178.3531 953 Q 4.2395 7.7358 117.9841 56.7640 29.4584 175.8325 954 E 3.9465 7.6292 120.1038 56.8182 29.7052 177.6182 955 D 4.4721 8.6838 123.5990 56.3598 41.0185 175.9620 956 Y 4.9769 7.2999 116.7993 56.9954 39.1289 175.3081 957 S 4.0876 7.9098 113.7636 58.8185 63.1031 174.0013 958 M 4.2441 8.1439 120.8882 56.0273 31.9890 175.6030 959 Y 4.8083 7.8007 119.6849 57.6761 38.7388 176.0900 960 S 4.8817 9.6241 121.5250 58.9720 64.8671 174.2446 961 K 4.6967 7.8020 117.2620 53.4297 35.7021 174.8685 962 P 2.9700 0.0000 0.0000 65.6619 31.0423 178.6879 963 E 3.7551 7.7863 116.3291 59.1378 29.3393 179.1974 964 D 4.3188 7.8831 119.6205 57.3358 40.9876 178.6699 965 F 3.8836 7.2297 114.5438 59.3655 37.9620 177.5826 966 V 4.0855 7.5316 118.8387 66.0281 31.3130 177.7272 967 A 4.0358 7.9741 120.4040 55.4047 18.0731 179.4075 968 D 4.2908 7.7433 115.9799 57.3596 40.6320 178.9378 969 F 3.6783 8.0934 118.2844 60.6403 38.8085 178.0590 970 R 4.2796 8.2771 117.5392 58.9906 29.7488 178.8820 971 L 3.9238 7.8345 120.4940 57.9263 42.0314 179.0059 972 I 3.5201 7.1398 119.6230 64.4669 37.0110 178.4786 973 F 4.2823 6.8326 117.0648 60.2927 38.6767 177.6338 974 Q 4.0081 8.3317 119.5543 59.3785 28.9414 178.0936 975 N 4.3631 8.5727 117.9463 56.2827 38.5710 176.8137 976 C 4.2910 8.3146 119.8830 62.7572 31.4922 175.5822 977 A 4.0904 7.9143 120.7256 55.2278 18.0187 178.9241 978 E 4.0428 8.1070 116.9872 59.0179 29.7764 178.3241 979 F 4.3504 8.2525 119.6784 59.5989 40.1695 175.6464 980 N 4.5818 7.8492 115.1750 51.9656 39.6226 175.0358 981 E 4.0315 8.5014 121.9821 55.6364 30.2498 174.8525 982 P 4.3381 0.0000 0.0000 64.3926 31.7944 175.9342 983 D 4.6349 8.8556 119.8860 55.1389 39.7888 174.1965 984 S 4.5540 7.6985 113.5899 57.2972 65.4585 174.4609 985 E 3.9037 8.6015 121.5794 59.6817 29.2453 178.7526 986 V 3.6052 7.8490 117.2831 65.9153 31.7305 177.6163 987 A 4.1210 7.8331 120.0462 55.5371 18.2889 179.4715 988 N 4.3830 8.5726 114.8623 56.2455 38.4774 177.5922 989 A 4.2420 8.4633 122.7704 55.1370 18.4286 179.9277 990 G 3.5555 8.7692 104.5459 47.9354 0.0000 176.0413 991 I 3.6560 7.7627 121.9669 64.1117 37.1608 178.7358 992 K 3.9796 8.1820 119.3270 59.3915 31.8635 179.2722 993 L 4.0147 8.3282 121.0595 57.8556 41.9109 178.6005 994 E 2.5400 7.9948 119.7023 58.7892 29.5335 178.4856 995 N 4.2289 8.0379 116.4925 56.4761 38.5992 176.7343 996 Y 4.1772 8.0476 120.8321 60.5829 38.8043 177.8222 997 F 3.9641 8.6395 121.9376 61.4938 39.6122 176.9650 998 E 3.6238 8.4070 118.3409 59.2768 29.2585 179.3557 999 E 3.8353 7.8302 118.2419 59.2570 29.5233 179.2923 1000 L 3.6046 7.3823 119.0439 57.4686 41.5351 179.3382 1001 L 3.8083 7.5698 120.5477 57.8593 41.6639 179.2168 1002 K 3.9559 7.4363 117.8099 59.4281 32.0177 178.7661 1003 N 4.4230 7.6006 115.4921 55.7803 38.5755 176.9276 1004 L 4.1424 7.7670 118.7871 55.5452 43.2622 176.5178 1005 Y 4.7582 7.5864 115.4315 55.8879 38.4354 173.5325 1006 P 4.4750 0.0000 0.0000 63.0495 31.4579 177.0057 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 824 P 0.00 4.35 0.00 2.19 2.16 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 825 N 7.72 4.92 0.00 2.75 2.85 0.00 0.00 7.26 6.78 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 0.00 826 E 9.08 4.16 0.00 1.92 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 2.35 2.27 0.00 827 D 8.23 4.13 0.00 1.61 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 0.00 828 W 7.32 5.07 0.00 3.23 3.17 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 0.00 829 C 8.85 4.01 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 830 A 8.23 3.94 1.12 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 0.00 0.00 831 V 7.87 4.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.19 0.00 0.00 832 C 8.02 4.44 0.00 3.19 3.22 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 0.00 833 Q 8.41 3.99 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 834 N 7.77 4.91 0.00 2.94 2.86 0.00 0.00 6.75 7.46 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 0.00 835 G 8.55 4.64 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 0.00 836 G 8.73 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 0.00 0.00 0.00 837 E 8.76 4.16 0.00 2.17 2.11 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 2.16 2.32 0.00 838 L 8.27 5.07 0.00 1.44 1.47 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 839 L 9.19 4.34 0.00 1.21 0.55 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.59 5.04 0.00 2.94 2.94 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 0.00 841 C 8.79 4.82 0.00 3.29 3.17 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 0.00 842 E 8.55 4.34 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 843 K 7.94 4.31 0.00 1.71 1.86 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 844 C 7.50 4.85 0.00 3.07 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 0.00 845 P 0.00 4.38 0.00 2.35 2.14 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 846 K 8.07 4.11 0.00 1.87 1.36 0.00 1.97 0.00 0.00 2.06 0.00 0.00 2.68 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.51 1.55 7.81 847 V 7.79 4.86 2.02 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 0.78 0.00 0.00 0.83 0.00 0.00 848 F 8.96 5.15 0.00 2.73 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 0.00 849 H 8.84 4.57 0.00 3.17 3.20 0.00 5.84 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 0.00 850 L 8.58 3.54 0.00 1.53 1.72 0.77 -0.14 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 0.00 851 S 7.70 4.52 0.00 3.90 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 0.00 852 C 7.69 4.13 0.00 3.24 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 0.00 853 H 7.85 3.98 0.00 2.78 2.95 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 V 6.92 4.08 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 0.91 0.00 0.00 0.80 0.00 0.00 855 P 0.00 4.50 0.00 2.21 2.21 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 856 T 8.12 4.07 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 1.15 0.00 0.00 857 L 7.89 4.62 0.00 1.29 1.33 0.55 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 858 T 8.70 4.07 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 1.19 0.00 0.00 859 N 7.81 5.06 0.00 2.66 2.77 0.00 0.00 7.09 8.75 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 0.00 860 F 8.79 4.04 0.00 2.92 2.95 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 0.00 861 P 0.00 4.48 0.00 2.31 2.16 0.00 3.60 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 862 S 8.85 4.29 0.00 3.92 3.99 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 0.00 0.00 0.00 863 G 7.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 864 E 8.63 4.39 0.00 2.05 1.92 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 2.36 2.37 0.00 865 W 8.73 5.26 0.00 3.44 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 0.00 866 I 7.38 4.43 1.59 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.77 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 0.00 947 T 8.22 3.92 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 1.20 0.00 0.00 948 I 7.53 3.85 1.76 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.06 0.59 0.00 0.00 949 K 8.44 3.96 0.00 2.06 2.08 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 950 K 8.26 3.98 0.00 1.95 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 951 R 8.02 3.99 0.00 1.88 1.34 0.00 3.19 0.00 0.00 2.81 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 952 L 8.02 4.34 0.00 1.96 1.95 1.03 0.70 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 0.00 953 Q 7.74 4.24 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 954 E 7.63 3.95 0.00 2.06 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 2.28 2.46 0.00 955 D 8.68 4.47 0.00 2.30 2.34 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 0.00 956 Y 7.30 4.98 0.00 2.94 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 0.00 957 S 7.91 4.09 0.00 4.08 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 0.00 958 M 8.14 4.24 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.18 0.00 959 Y 7.80 4.81 0.00 3.21 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 960 S 9.62 4.88 0.00 3.96 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 0.00 961 K 7.80 4.70 0.00 1.80 1.84 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.35 7.81 962 P 0.00 2.97 0.00 1.59 1.49 0.00 3.46 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.35 0.00 963 E 7.79 3.76 0.00 1.91 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 2.29 2.29 0.00 964 D 7.88 4.32 0.00 2.87 2.99 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 0.00 0.00 0.00 965 F 7.23 3.88 0.00 2.75 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 0.00 0.00 0.00 966 V 7.53 4.09 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 1.23 0.00 0.00 0.87 0.00 0.00 967 A 7.97 4.04 1.44 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 0.00 968 D 7.74 4.29 0.00 2.87 2.60 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 0.00 969 F 8.09 3.68 0.00 2.97 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 0.00 0.00 0.00 970 R 8.28 4.28 0.00 2.06 2.10 0.00 3.25 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 971 L 7.83 3.92 0.00 1.88 1.82 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 972 I 7.14 3.52 1.15 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.46 0.00 0.00 973 F 6.83 4.28 0.00 3.21 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 974 Q 8.33 4.01 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 975 N 8.57 4.36 0.00 2.93 2.92 0.00 0.00 6.71 7.30 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 0.00 976 C 8.31 4.29 0.00 3.28 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 0.00 977 A 7.91 4.09 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 0.00 978 E 8.11 4.04 0.00 2.03 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 0.00 2.36 2.33 0.00 979 F 8.25 4.35 0.00 2.97 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 0.00 980 N 7.85 4.58 0.00 3.00 2.80 0.00 0.00 7.11 6.96 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 0.00 981 E 8.50 4.03 0.00 1.98 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 2.33 2.24 0.00 982 P 0.00 4.34 0.00 2.04 2.01 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 983 D 8.86 4.63 0.00 2.80 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 0.00 984 S 7.70 4.55 0.00 4.14 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 0.00 985 E 8.60 3.90 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 986 V 7.85 3.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.90 0.00 0.00 987 A 7.83 4.12 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 0.00 0.00 0.00 0.00 0.00 988 N 8.57 4.38 0.00 2.92 2.92 0.00 0.00 6.96 7.37 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 0.00 989 A 8.46 4.24 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 0.00 990 G 8.77 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 991 I 7.76 3.66 2.02 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 1.86 0.93 0.89 0.00 0.00 992 K 8.18 3.98 0.00 2.00 1.88 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 993 L 8.33 4.01 0.00 1.99 1.78 1.05 1.03 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 0.00 994 E 7.99 2.54 0.00 1.16 1.65 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 2.02 1.78 0.00 995 N 8.04 4.23 0.00 2.92 2.85 0.00 0.00 6.71 7.09 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 0.00 996 Y 8.05 4.18 0.00 3.06 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 0.00 997 F 8.64 3.96 0.00 3.29 3.16 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 0.00 998 E 8.41 3.62 0.00 1.91 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 2.55 2.48 0.00 999 E 7.83 3.84 0.00 1.99 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 2.48 2.46 0.00 1000 L 7.38 3.60 0.00 1.35 1.27 0.42 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.57 3.81 0.00 1.08 1.46 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.44 3.96 0.00 1.86 1.78 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.51 7.81 1003 N 7.60 4.42 0.00 2.68 2.75 0.00 0.00 7.06 7.38 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 1004 L 7.77 4.14 0.00 1.48 1.34 0.89 0.58 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 1005 Y 7.59 4.76 0.00 3.06 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 1006 P 0.00 4.47 0.00 2.16 2.00 0.00 3.81 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 1.96 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.