NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 824 P 4.5026 0.0000 0.0000 62.6429 32.9202 176.5880 825 N 4.7018 8.2103 113.9324 52.0138 38.3374 171.2583 826 E 4.2520 9.0743 120.6207 56.6897 31.0557 177.5806 827 D 4.3524 8.4409 119.4106 54.5201 41.8401 177.0072 828 W 4.8686 7.6316 117.1701 54.0481 32.7385 174.5644 829 C 4.0090 8.7211 121.0378 59.9072 31.2798 174.9919 830 A 3.9919 8.3232 130.3483 54.8677 18.1347 178.7266 831 V 4.0694 7.8151 115.1684 65.2921 30.7517 176.5795 832 C 4.4252 8.0516 112.5481 57.7653 30.3920 174.1205 833 Q 3.7327 8.4089 118.2977 57.0597 26.5020 172.6787 834 N 5.3317 7.7214 112.3703 51.4448 42.0214 174.8895 835 G 4.2197 9.0213 108.5708 44.1697 0.0000 171.9840 836 G 3.7713 8.2340 105.7643 44.4622 0.0000 174.5028 837 E 4.2769 8.7795 124.3612 55.4410 29.4906 175.5123 838 L 4.9721 8.1346 123.6761 52.7369 44.5965 175.8448 839 L 4.4912 9.2737 125.7797 54.3872 43.5747 174.8683 840 C 5.1766 8.6156 123.6841 58.3845 29.8043 172.9985 841 C 4.8426 8.7351 124.8472 59.2081 31.4357 173.7600 842 E 4.2013 9.1296 125.2344 58.6016 29.2709 178.0186 843 K 4.4526 7.9701 115.6266 56.3413 33.2564 175.0411 844 C 4.9072 7.5831 112.0425 55.9514 32.8329 172.1204 845 P 4.5751 0.0000 0.0000 63.8709 31.4158 176.9421 846 K 4.3815 7.9325 118.5469 56.5971 33.2898 176.3040 847 V 4.8449 7.7542 114.6941 59.9760 36.2098 174.4579 848 F 5.1734 8.9657 120.0135 56.4096 44.0621 174.1824 849 H 4.6890 8.8911 117.9990 55.0777 29.9519 176.6151 850 L 3.6179 8.3450 121.9805 57.8236 41.4275 179.3314 851 S 4.4829 7.6600 108.9357 58.2589 63.6833 174.4569 852 C 4.1440 7.6139 118.5573 61.9476 28.5048 173.8739 853 H 4.0077 7.8877 117.7585 55.7387 30.0126 174.3156 854 V 4.0790 6.9387 122.2932 60.0808 33.2723 173.6956 855 P 4.4869 0.0000 0.0000 62.0024 32.5888 175.9938 856 T 4.0274 8.1167 116.0007 63.5612 68.8537 174.1259 857 L 4.6101 7.7974 126.5040 54.0756 42.9967 177.2674 858 T 4.0450 8.5830 119.1927 65.8698 68.7356 174.9230 859 N 5.0321 8.1000 115.6287 50.7475 42.5690 174.1696 860 F 3.9610 8.5459 118.6623 56.6274 39.5867 174.0997 861 P 4.4558 0.0000 0.0000 62.6219 31.8127 176.9307 862 S 4.4234 8.8295 116.8106 60.4723 64.3137 174.5589 863 G 4.1826 7.5253 111.3097 44.5499 0.0000 172.6359 864 E 4.3311 8.8970 124.2930 56.2851 30.3018 176.0799 865 W 5.3135 8.8341 131.9727 55.7881 34.8458 173.4926 866 I 4.5702 7.3731 125.7206 59.0819 39.6741 175.3826 867 C 3.2944 7.7916 121.1645 57.3481 30.4108 174.5879 868 T 3.7857 8.1332 116.7584 66.7327 67.8006 176.5296 869 F 4.4784 7.6003 118.7202 60.4134 39.1213 176.6359 870 C 4.4024 7.9313 114.3556 60.2453 28.8796 174.4577 871 R 3.9749 7.5869 121.3042 55.7326 30.0189 175.6496 872 D 4.4011 8.9738 124.9121 54.6594 41.7348 177.3683 873 L 4.1075 8.4522 126.0431 57.8280 42.1865 178.8549 874 S 4.2865 8.2261 113.6828 60.9762 63.1170 175.2373 875 K 4.4776 8.5403 121.3095 52.5899 31.9227 173.0242 876 P 4.3539 0.0000 0.0000 62.1327 31.6435 177.6523 877 E 4.0679 8.6835 121.6838 58.5496 29.7647 177.2204 878 V 4.4897 7.1988 109.4850 59.2501 35.5294 173.9350 879 E 4.4198 8.3312 121.7107 54.4089 31.6644 174.9057 880 Y 4.8853 7.9559 123.5271 57.3510 38.9899 176.2916 881 D 4.4104 8.9758 123.1972 56.5748 39.5053 178.2458 882 C 4.2692 8.1589 112.8610 59.8973 29.8626 173.5755 883 D 4.7073 8.0535 118.7500 53.6977 41.5950 176.4234 884 A 4.2967 7.6190 121.8323 51.6215 18.8043 176.8514 *890 E 4.0582 8.4798 118.5451 55.6606 30.6467 176.1975 891 K 4.2855 8.3844 121.7915 55.6065 33.8951 176.1658 892 K 3.9439 8.3307 119.7773 56.4964 32.4195 176.1409 893 K 4.2254 8.4535 124.8685 55.7229 32.1791 177.1141 894 T 3.9962 8.4965 121.8744 63.6980 68.7373 174.2429 895 E 4.2939 8.7927 126.3193 56.4176 30.7738 176.0692 896 G 4.0571 8.6243 107.5194 45.8970 0.0000 173.5996 897 L 4.5042 7.7184 118.2753 53.2595 45.2911 174.4271 898 V 4.2934 8.4649 125.8041 61.1692 32.6461 174.7939 899 K 4.8097 8.2901 125.6625 53.9492 35.2788 175.9584 900 L 4.2569 8.4196 120.7252 54.9596 42.3945 178.2327 901 T 4.1996 8.3373 112.1532 61.0582 70.8692 173.7523 902 P 4.2870 0.0000 0.0000 65.8717 31.3032 179.0169 903 I 3.7094 7.7458 118.0640 64.6719 37.0873 178.1200 904 D 4.5911 8.2601 119.6361 57.0444 40.6172 178.7717 905 K 3.9921 8.3385 120.4354 59.6740 32.2703 179.1857 906 R 4.2430 8.1602 119.7203 58.5394 29.8134 179.2684 907 K 4.0033 8.2209 118.6594 59.5871 31.9814 178.9665 908 C 3.8098 8.1568 119.0261 62.2812 30.7477 175.4816 909 E 3.9563 8.2184 120.4305 59.2099 28.9171 179.3258 910 R 3.8209 8.1221 118.8016 59.2908 30.2047 178.4056 911 L 4.2063 8.3278 119.1553 57.9836 41.6171 179.5431 912 L 4.3462 8.4862 119.0608 57.9292 41.6018 179.3445 913 L 4.1113 8.1865 120.2165 58.2104 41.7110 178.9109 914 F 4.6538 8.6411 117.0216 60.9189 39.2372 177.4005 915 L 4.5623 8.5170 118.5551 58.2155 41.3608 179.0590 916 Y 4.2334 8.7790 117.1613 61.4478 37.6606 178.3033 917 C 4.6503 8.6729 115.6880 60.8618 29.1438 173.7888 918 H 4.2832 8.0352 122.1616 55.6552 29.9709 175.9342 919 E 4.1344 8.4830 123.7647 58.8189 29.6473 177.3195 920 M 4.6423 8.2860 118.1252 55.2355 32.4227 176.6722 921 S 4.7679 8.1271 115.6645 59.6643 64.2488 175.9821 922 L 3.8591 8.4258 123.3665 58.2747 41.5753 178.7328 923 A 3.8434 7.7498 118.3557 53.8811 18.4193 177.5976 924 F 4.8124 8.0391 113.8006 57.2938 40.2301 177.7288 925 Q 3.8034 8.2022 121.6671 58.4150 28.7234 175.9304 926 D 5.2815 7.5744 114.5697 51.1983 43.7687 174.1693 927 P 4.3052 0.0000 0.0000 62.7062 31.8406 176.8319 928 V 3.4467 8.0357 121.4511 61.8999 32.1957 174.2335 929 P 4.4035 0.0000 0.0000 62.6791 31.7346 177.5141 930 L 4.3435 8.4793 121.4754 57.6956 41.7116 178.4608 931 T 4.0284 7.7892 107.0326 62.7497 69.3331 174.5654 932 V 3.7406 7.7865 123.9147 61.6934 31.2751 173.1800 933 P 4.3798 0.0000 0.0000 64.4272 31.6377 175.7713 934 D 4.5172 9.2467 120.6221 55.1620 39.1240 174.8363 935 Y 3.4411 8.1441 121.8636 61.0050 38.5641 177.7780 936 Y 4.2261 7.9329 113.2309 58.9722 38.2118 176.4423 937 K 4.3286 7.7147 118.9547 57.6716 33.1095 177.9733 938 I 3.9529 7.7157 118.2325 62.9917 37.7931 175.9660 939 I 3.9975 7.3654 123.6235 59.8498 36.1572 175.8237 940 K 4.2179 8.4595 126.0685 58.1268 32.6405 177.6411 941 N 5.0199 7.6217 115.1724 50.2948 38.4506 172.1470 942 P 4.5126 0.0000 0.0000 63.0996 32.6367 175.7756 943 M 4.6381 8.1687 117.9879 53.8935 34.8781 173.6978 944 D 4.6936 8.0236 123.2343 51.1863 43.8627 176.3035 945 L 3.8486 8.7021 120.0524 57.7910 41.3590 180.0637 946 S 4.4591 8.4106 115.8198 61.2409 62.8231 176.8223 947 T 3.8945 8.1075 119.2456 66.4547 68.1145 176.8428 948 I 3.8599 7.4457 123.2091 63.5728 36.8382 178.3004 949 K 3.9473 8.0714 119.6756 59.5079 31.8459 178.4583 950 K 4.1010 8.2455 119.8288 59.5598 31.8523 179.0069 951 R 4.0861 8.1656 119.8943 58.6308 29.7081 178.7409 952 L 4.2614 8.3096 119.8132 57.6988 42.1879 178.0765 953 Q 4.4355 7.4993 113.9128 55.2107 29.6188 175.5954 954 E 4.0825 7.5792 122.9396 56.0964 30.0710 177.0960 955 D 4.2692 8.7731 124.0976 56.2944 39.4961 177.5540 956 Y 4.7117 7.1817 116.4071 56.1245 37.6586 175.1996 957 S 4.1649 7.7096 114.3505 58.9561 63.3498 173.5420 958 M 4.1345 8.0774 122.2120 56.8849 32.4446 175.6496 959 Y 4.8181 7.7692 117.8292 57.5662 38.6808 176.0464 960 S 4.8721 9.6761 121.4802 58.9708 64.9207 174.2126 961 K 4.7039 7.7912 117.2964 53.4466 35.6885 174.8954 962 P 2.9700 0.0000 0.0000 65.6759 31.0323 178.5838 963 E 3.7002 7.8639 116.3911 59.4128 29.3671 179.2218 964 D 4.3646 7.8366 119.1834 57.3153 40.9803 178.6517 965 F 3.8266 7.2213 114.4450 59.2519 38.1193 177.6941 966 V 4.0884 7.5320 118.9289 66.0256 31.3316 177.8211 967 A 4.0790 8.1092 120.5281 55.3065 17.9682 179.4016 968 D 4.3105 7.5284 115.5620 57.2780 41.0606 178.6796 969 F 3.8189 8.1357 118.3640 60.5926 38.8063 178.0319 970 R 4.2401 8.1918 117.3781 58.9331 29.6941 178.9027 971 L 3.9430 7.7209 120.4978 57.8832 42.0166 178.9055 972 I 3.5455 7.1492 119.5632 64.5141 36.9645 178.4710 973 F 4.3670 7.1741 117.8752 60.4411 38.8304 177.7113 974 Q 4.0640 8.5083 118.1172 59.0954 28.5528 178.5549 975 N 4.3624 8.5009 117.7920 56.4205 38.5919 176.8842 976 C 4.2988 8.2301 119.7739 62.7712 31.5006 175.6043 977 A 4.1249 8.1610 121.1404 54.9087 18.0137 178.8859 978 E 4.1826 8.2449 115.1566 58.6291 30.1178 178.4834 979 F 4.2312 8.2588 120.9990 59.8660 40.1243 175.6784 980 N 4.6034 7.7403 114.7491 52.2102 39.4817 175.0435 981 E 4.0531 8.4827 121.0244 55.6746 30.2555 174.9875 982 P 4.3907 0.0000 0.0000 64.1991 31.8068 175.8457 983 D 4.6851 9.1264 119.3427 54.5529 39.8629 174.1098 984 S 4.5014 7.7881 113.2968 57.5909 65.2357 174.8434 985 E 3.9605 8.6122 121.5441 59.7210 29.1653 179.9069 986 V 3.6879 7.8228 117.5243 65.7895 31.6979 177.7047 987 A 4.1300 7.9917 120.1722 55.4297 17.8158 179.4386 988 N 4.3641 8.6292 115.0094 56.3232 38.5139 177.5659 989 A 4.2425 8.3813 122.5082 55.0240 18.3992 179.9357 990 G 3.4633 8.5582 104.4388 48.0933 0.0000 176.0610 991 I 3.6518 7.8378 122.5739 63.6272 37.1100 178.3269 992 K 3.8443 8.2065 120.6377 59.6337 32.0160 178.6461 993 L 3.8998 8.0980 120.7287 57.9415 41.9121 178.4135 994 E 2.5400 7.9173 119.6772 58.7305 29.5139 178.6240 995 N 4.2318 8.0934 116.5589 56.2415 38.5816 176.7695 996 Y 4.1334 7.8044 120.4785 60.6240 38.8816 177.7633 997 F 3.9696 8.5111 121.8823 61.5542 39.6462 176.8784 998 E 3.6701 8.3070 118.1229 59.3492 29.0703 179.4015 999 E 3.8415 7.8596 118.3047 59.2195 29.5284 179.2646 1000 L 3.5868 7.4516 119.0251 57.4788 41.5526 179.2918 1001 L 3.7885 7.6275 120.6569 58.0319 41.6911 179.2546 1002 K 3.9694 7.4072 117.0898 59.2800 31.9611 178.7500 1003 N 4.4295 7.4927 116.0088 55.8468 38.6053 176.9778 1004 L 4.1161 7.7779 119.0447 55.7628 43.2720 176.7875 1005 Y 4.7158 7.6837 115.3526 55.6302 38.3133 173.5378 1006 P 4.4221 0.0000 0.0000 62.9153 31.6231 177.1756 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 4.50 0.00 2.11 2.26 0.00 3.63 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 1.98 2.36 0.00 825 N 8.21 4.70 0.00 2.87 2.89 0.00 0.00 6.29 6.77 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 0.00 826 E 9.07 4.25 0.00 2.19 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 2.39 2.30 0.00 827 D 8.44 4.35 0.00 2.12 1.87 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 0.00 828 W 7.63 4.87 0.00 3.22 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 0.00 829 C 8.72 4.01 0.00 3.01 2.98 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 0.00 830 A 8.32 3.99 1.13 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 0.00 0.00 0.00 0.00 0.00 831 V 7.82 4.07 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 0.99 0.00 0.00 1.21 0.00 0.00 832 C 8.05 4.43 0.00 3.20 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 3.73 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 834 N 7.72 5.33 0.00 2.89 2.83 0.00 0.00 6.90 7.47 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 0.00 835 G 9.02 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 0.00 0.00 0.00 0.00 836 G 8.23 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 0.00 837 E 8.78 4.28 0.00 2.17 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 2.36 2.57 0.00 838 L 8.13 4.97 0.00 1.47 1.55 0.83 0.65 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 0.00 839 L 9.27 4.49 0.00 1.45 0.92 -0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.62 5.18 0.00 2.99 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 0.00 841 C 8.74 4.84 0.00 3.24 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 0.00 842 E 9.13 4.20 0.00 2.07 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 2.60 2.49 0.00 843 K 7.97 4.45 0.00 1.73 1.84 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 844 C 7.58 4.91 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 4.58 0.00 2.40 2.14 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 846 K 7.93 4.38 0.00 1.92 1.40 0.00 2.01 0.00 0.00 2.00 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.58 7.81 847 V 7.75 4.84 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 0.87 0.00 0.00 0.84 0.00 0.00 848 F 8.97 5.17 0.00 2.82 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 0.00 849 H 8.89 4.69 0.00 3.27 3.19 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 8.34 3.62 0.00 1.42 1.60 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.66 4.48 0.00 3.89 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 0.00 852 C 7.61 4.14 0.00 3.27 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 7.89 4.01 0.00 2.79 2.97 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 6.94 4.08 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 0.89 0.00 0.00 0.78 0.00 0.00 855 P 0.00 4.49 0.00 2.21 2.19 0.00 3.81 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 1.99 2.16 0.00 856 T 8.12 4.03 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 1.16 0.00 0.00 857 L 7.80 4.61 0.00 1.29 1.30 0.56 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 858 T 8.58 4.04 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 1.17 0.00 0.00 859 N 8.10 5.03 0.00 2.61 2.68 0.00 0.00 7.11 7.03 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 0.00 860 F 8.55 3.96 0.00 2.98 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 0.00 861 P 0.00 4.46 0.00 2.09 2.11 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.89 0.00 862 S 8.83 4.42 0.00 4.00 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 0.00 863 G 7.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 864 E 8.90 4.33 0.00 1.93 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 2.37 2.36 0.00 865 W 8.83 5.31 0.00 3.39 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 7.37 4.57 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.77 0.00 0.00 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0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 876 P 0.00 4.35 0.00 2.15 1.92 0.00 3.39 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 877 E 8.68 4.07 0.00 1.88 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 2.28 2.35 0.00 878 V 7.20 4.49 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 0.76 0.00 0.00 0.77 0.00 0.00 879 E 8.33 4.42 0.00 1.90 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 880 Y 7.96 4.89 0.00 3.26 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881 D 8.98 4.41 0.00 2.92 2.98 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 0.00 882 C 8.16 4.27 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 D 8.05 4.71 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 947 T 8.11 3.89 4.37 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 1.20 0.00 0.00 948 I 7.45 3.86 1.77 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 1.22 1.09 0.59 0.00 0.00 949 K 8.07 3.95 0.00 2.03 2.12 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 950 K 8.25 4.10 0.00 1.87 1.78 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 8.17 4.09 0.00 1.96 1.39 0.00 3.17 0.00 0.00 2.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 952 L 8.31 4.26 0.00 1.92 1.97 1.02 0.75 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 0.00 953 Q 7.50 4.44 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 954 E 7.58 4.08 0.00 2.02 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 2.30 2.51 0.00 955 D 8.77 4.27 0.00 1.97 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 0.00 956 Y 7.18 4.71 0.00 3.03 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 0.00 957 S 7.71 4.16 0.00 4.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 958 M 8.08 4.13 0.00 1.61 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 959 Y 7.77 4.82 0.00 3.24 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 0.00 960 S 9.68 4.87 0.00 3.95 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 7.79 4.70 0.00 1.81 1.84 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.35 7.81 962 P 0.00 2.97 0.00 1.59 1.48 0.00 3.47 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 963 E 7.86 3.70 0.00 1.91 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 2.30 2.31 0.00 964 D 7.84 4.36 0.00 2.92 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 0.00 965 F 7.22 3.83 0.00 2.70 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 0.00 0.00 0.00 966 V 7.53 4.09 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 1.15 0.00 0.00 0.88 0.00 0.00 967 A 8.11 4.08 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 0.00 968 D 7.53 4.31 0.00 2.86 2.62 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 0.00 969 F 8.14 3.82 0.00 2.98 1.97 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 0.00 970 R 8.19 4.24 0.00 2.08 2.11 0.00 3.26 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 971 L 7.72 3.94 0.00 1.93 1.81 0.97 0.99 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 0.00 972 I 7.15 3.55 1.08 0.00 0.00 0.53 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 0.39 0.54 0.00 0.00 973 F 7.17 4.37 0.00 3.08 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 0.00 974 Q 8.51 4.06 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 975 N 8.50 4.36 0.00 2.97 2.95 0.00 0.00 6.71 7.45 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 0.00 976 C 8.23 4.30 0.00 3.40 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 977 A 8.16 4.12 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 8.24 4.18 0.00 2.17 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 0.00 2.42 2.44 0.00 979 F 8.26 4.23 0.00 2.96 3.33 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 0.00 980 N 7.74 4.60 0.00 3.05 2.82 0.00 0.00 7.11 7.82 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 0.00 981 E 8.48 4.05 0.00 1.97 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 2.32 2.24 0.00 982 P 0.00 4.39 0.00 2.04 2.00 0.00 3.80 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 2.02 2.08 0.00 983 D 9.13 4.69 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 984 S 7.79 4.50 0.00 4.14 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 0.00 985 E 8.61 3.96 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 2.42 2.39 0.00 986 V 7.82 3.69 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.92 0.00 0.00 987 A 7.99 4.13 1.43 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 0.00 0.00 0.00 988 N 8.63 4.36 0.00 2.79 2.92 0.00 0.00 6.93 8.38 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 0.00 989 A 8.38 4.24 1.63 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 0.00 990 G 8.56 3.46 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 0.00 991 I 7.84 3.65 2.01 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 1.41 0.78 0.89 0.00 0.00 992 K 8.21 3.84 0.00 2.15 1.98 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 993 L 8.10 3.90 0.00 1.89 1.58 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 994 E 7.92 2.54 0.00 1.16 1.63 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 2.00 1.78 0.00 995 N 8.09 4.23 0.00 2.88 2.82 0.00 0.00 6.67 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 0.00 996 Y 7.80 4.13 0.00 3.04 3.13 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 0.00 0.00 0.00 997 F 8.51 3.97 0.00 3.24 3.13 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 0.00 0.00 0.00 998 E 8.31 3.67 0.00 2.04 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 2.58 2.48 0.00 999 E 7.86 3.84 0.00 2.00 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 2.43 2.44 0.00 1000 L 7.45 3.59 0.00 1.36 1.28 0.24 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.63 3.79 0.00 0.97 1.44 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.41 3.97 0.00 1.86 1.78 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.59 7.81 1003 N 7.49 4.43 0.00 2.64 2.75 0.00 0.00 7.04 9.20 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 1004 L 7.78 4.12 0.00 1.48 1.30 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 1005 Y 7.68 4.72 0.00 3.03 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 1006 P 0.00 4.42 0.00 2.16 2.09 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.