NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 825 N 4.6313 8.4249 119.2021 53.4192 40.9263 174.9695 826 E 3.9571 7.8680 116.5799 55.9352 29.8884 175.1326 827 D 4.2341 8.4856 120.4350 54.0238 42.5494 176.5072 828 W 4.9806 7.3311 118.1947 54.1315 32.4472 174.7482 829 C 4.0489 8.8576 121.7997 59.7609 31.3250 174.8882 830 A 4.0497 8.3044 130.1615 54.6730 18.1953 178.5294 831 V 4.1771 7.8922 114.6990 64.9078 32.1168 176.5046 832 C 4.3997 8.0232 112.4700 57.8168 30.4076 174.6834 833 Q 4.0051 8.1962 118.2726 56.6417 26.5379 172.9348 834 N 4.9902 7.7063 116.4268 52.1357 40.7373 174.5281 835 G 4.4932 8.3612 109.0579 45.4380 0.0000 172.2545 836 G 3.9130 8.6717 105.8134 44.0778 0.0000 174.4707 837 E 4.1710 8.7146 125.2885 56.3383 29.5295 176.3515 838 L 5.1257 8.3728 123.8871 52.7685 45.5746 176.0677 839 L 4.4405 9.2815 122.5464 53.6707 43.6308 175.4556 840 C 5.0890 8.3663 120.8193 57.8399 29.9608 173.4591 841 C 4.6381 8.9297 125.0077 59.8942 31.0084 173.5877 842 E 4.3444 9.0926 124.2402 58.0852 29.7262 178.6917 843 K 4.2552 8.0035 116.7251 57.2597 32.8435 175.5607 844 C 4.9988 7.6337 111.3394 55.4869 33.1135 172.1594 845 P 4.4497 0.0000 0.0000 65.1320 31.4172 177.2522 846 K 4.0825 8.0695 116.8199 57.2514 33.1532 176.4462 847 V 4.9478 7.7193 114.3424 60.0525 36.2259 174.4327 848 F 5.1707 8.9910 120.1224 56.3435 43.9594 174.0266 849 H 4.7871 8.8777 117.8747 55.2600 30.0428 176.4953 850 L 3.5940 8.5746 120.5976 57.6839 41.4617 179.2191 851 S 4.6288 7.6843 108.6223 57.6884 63.6754 174.4179 852 C 4.1369 7.6066 118.8118 62.1649 28.4632 173.9637 853 H 3.9809 7.8868 117.7025 55.6547 30.0437 174.2982 854 V 4.0834 6.9370 122.7149 60.0671 33.2805 173.7562 855 P 4.5041 0.0000 0.0000 62.0895 32.3590 175.8829 856 T 4.1974 8.1141 115.5581 63.4023 68.9877 173.9617 857 L 4.5334 7.9154 126.0599 53.4861 43.1666 177.3234 858 T 3.9731 8.7342 120.1458 66.3926 68.5777 174.2053 859 N 4.6686 7.2911 115.3639 51.2972 39.9521 173.8168 860 F 4.0593 8.5090 117.6664 56.9433 39.5558 173.8118 861 P 4.6018 0.0000 0.0000 61.8345 32.3354 175.5922 862 S 4.4677 8.4299 116.0417 58.9188 62.9080 173.2366 863 G 3.7875 9.2721 113.2821 43.4410 0.0000 171.4418 864 E 4.2014 8.4542 117.9744 55.8492 30.0666 176.3928 865 W 5.2335 8.9417 135.0000 55.7472 34.3123 173.3624 866 I 4.5199 7.9149 127.1935 59.2968 39.3147 175.4381 867 C 3.5338 7.9573 120.7622 57.0554 30.9433 174.6284 868 T 4.0451 8.0770 116.3165 66.5222 67.7838 176.6235 869 F 4.4696 7.6884 118.8841 60.5359 39.1545 176.7877 870 C 4.3415 7.9921 114.5890 60.8910 28.8332 174.5536 871 R 3.8811 7.7109 120.2962 56.0397 30.2163 175.5548 872 D 4.4834 8.5096 124.4159 54.1236 41.8732 176.4386 873 L 4.1262 8.5006 126.3434 58.0570 41.8431 178.7286 874 S 4.1640 7.9617 113.7926 60.6697 62.9058 175.3529 875 K 4.4004 7.5923 125.9769 53.2655 32.9515 173.7525 876 P 4.3018 0.0000 0.0000 62.5403 31.7234 177.8447 877 E 3.9291 8.6171 122.1810 58.4424 29.8044 177.2824 878 V 4.4688 6.9254 110.6170 59.7489 35.8610 173.8654 879 E 4.4278 8.3342 121.7212 54.9556 31.6649 176.0707 880 Y 4.6132 8.4986 120.4734 60.7551 38.3378 174.1580 881 D 4.4050 8.0968 124.8703 52.6957 38.9718 175.9230 *892 K 4.1201 7.6482 127.7148 56.6585 32.6984 174.9911 893 K 4.2549 7.8058 118.9702 55.8041 33.2763 177.1956 894 T 4.2071 8.4522 121.1149 63.1670 69.0650 174.5128 895 E 4.3395 8.7507 126.0626 55.9191 30.7764 175.5797 896 G 4.0493 8.6009 106.1144 45.9019 0.0000 173.3612 897 L 4.4050 7.7056 119.2217 53.0960 44.9930 174.6784 898 V 4.2411 8.3679 125.9178 61.2438 32.5643 174.8634 899 K 4.8078 8.2857 125.7157 53.9277 35.3634 175.9658 900 L 4.1807 8.5744 121.3314 55.2252 42.3329 178.2397 901 T 4.2055 8.3836 112.6988 61.0714 70.8779 173.7907 902 P 4.3143 0.0000 0.0000 65.8018 31.3287 179.0572 903 I 3.7244 7.7494 118.2050 64.6329 37.1099 178.0839 904 D 4.6364 8.2311 119.4739 57.0229 40.6400 178.7793 905 K 4.0393 8.2270 120.4679 59.6639 32.2519 179.1982 906 R 4.2537 8.1659 119.6764 58.5884 29.8309 179.2366 907 K 4.0328 8.0803 118.6369 59.4312 32.0004 178.9636 908 C 3.8243 8.0815 119.1176 62.1690 30.8392 175.4672 909 E 4.0335 8.3048 120.4913 59.2013 28.8978 179.3077 910 R 3.8766 7.9472 118.9020 59.2082 30.1874 178.4626 911 L 4.1588 8.2508 119.0096 57.8555 41.6495 179.3809 912 L 4.3276 8.5469 119.2502 57.9933 41.6546 179.3650 913 L 4.1077 8.0212 120.0714 58.2505 41.7187 178.8389 914 F 4.5797 8.6221 116.7972 60.9670 39.2776 177.4396 915 L 4.5487 8.5467 118.4920 58.2238 40.9994 179.0325 916 Y 4.2156 8.8360 117.1489 61.3540 37.6517 178.1062 917 C 4.5731 8.6042 115.2843 60.2445 29.0765 173.1709 918 H 4.5540 8.0755 122.5079 54.6893 30.6367 175.7459 919 E 4.0539 8.7274 124.5478 59.7804 29.3981 178.2396 920 M 4.5265 8.4039 116.2549 56.1013 32.1658 177.1149 921 S 4.9503 8.2744 114.6708 58.6813 63.5137 175.6858 922 L 3.9414 7.3542 121.7640 58.2415 41.5846 178.5620 923 A 4.0091 7.3744 116.4489 52.7348 18.7875 177.4607 924 F 4.9129 7.7588 115.5679 57.0927 40.5172 177.2657 925 Q 3.8928 8.0547 122.0529 57.8310 28.9477 175.4898 926 D 5.4032 7.5867 114.7200 51.1091 44.5438 173.5710 927 P 4.3170 0.0000 0.0000 62.7221 31.8180 176.8562 928 V 3.4332 8.1128 121.4944 62.0706 31.5715 174.3078 929 P 4.4949 0.0000 0.0000 62.5780 31.7762 177.1921 930 L 4.3779 8.3367 119.4097 57.0318 41.8271 178.5819 931 T 4.0199 7.7594 107.7570 63.1066 69.5379 174.6979 932 V 3.7058 7.5350 123.2256 61.5938 31.3123 172.7432 933 P 4.2240 0.0000 0.0000 63.9805 31.3685 175.2484 934 D 4.5521 9.1703 121.7540 55.3228 38.8706 175.4638 935 Y 3.3725 7.9855 122.0988 60.8557 38.6119 177.7962 936 Y 4.1540 7.8213 113.9934 59.2848 38.4860 176.6658 937 K 4.2075 7.9957 118.8234 58.7021 32.6652 178.2249 938 I 3.8953 7.3410 118.5442 63.6351 37.4881 176.4962 939 I 3.7235 7.2423 125.4676 60.5892 36.4733 176.1839 940 K 4.1010 8.6834 127.8964 58.7363 32.2950 176.7312 941 N 4.9459 7.5799 115.9324 49.9340 38.7090 172.1212 942 P 4.5195 0.0000 0.0000 63.0769 32.4679 175.5578 943 M 4.6072 8.1864 117.3521 54.0072 34.9092 173.7276 944 D 4.6763 7.9850 123.0347 51.2393 43.7227 176.3395 945 L 3.8743 8.5860 120.2107 57.8250 41.4195 180.1091 946 S 4.4676 8.1868 115.5059 61.1285 62.8668 176.8128 947 T 3.9263 7.8648 119.5994 66.4486 68.2072 176.8919 948 I 3.8642 7.4881 122.8003 63.6730 36.9567 178.2598 949 K 3.9629 8.4740 120.9692 59.5674 31.9115 178.7314 950 K 3.9949 8.2967 119.8092 59.4606 31.9201 179.1283 951 R 3.9970 8.0309 117.7077 58.8756 29.9278 178.4179 952 L 4.3638 8.0004 119.7984 57.9860 42.2157 178.3207 953 Q 4.1549 7.6975 118.5541 57.2231 29.3307 176.1434 954 E 4.0426 7.4491 119.7679 56.3506 30.0859 176.2715 955 D 4.5096 8.8591 124.0961 57.3562 40.9410 177.2192 956 Y 4.9997 7.3868 116.6387 55.7803 37.6964 175.2912 957 S 4.2653 8.1999 117.7309 58.2085 63.4366 173.7080 958 M 4.2560 8.0695 120.3150 55.3925 31.4234 175.4199 959 Y 4.8748 7.9937 119.7033 57.3151 38.3681 176.0210 960 S 4.8314 9.1659 120.3841 58.5943 64.7677 174.1332 961 K 4.6626 7.7868 118.4631 53.5152 35.6004 174.8142 962 P 2.9700 0.0000 0.0000 65.6483 31.1513 178.7254 963 E 3.7007 7.7976 116.1973 59.1012 29.1703 179.2131 964 D 4.3201 7.8107 119.6110 57.2649 40.9860 178.5560 965 F 3.7330 7.1894 114.4089 59.2105 38.0487 177.7102 966 V 4.0987 7.5981 119.1055 66.0315 31.3195 177.7525 967 A 4.0309 7.9489 120.2954 55.3477 17.9538 179.4074 968 D 4.2926 7.4586 116.0510 57.3053 41.0186 178.6570 969 F 3.8126 8.0274 118.3151 60.5870 38.8855 178.0394 970 R 4.1014 8.2240 117.5537 58.9235 29.6983 178.8487 971 L 3.9421 7.8083 120.4719 57.9551 42.0191 179.0632 972 I 3.4971 7.0858 119.8459 64.4023 36.9888 178.4711 973 F 4.3022 7.0756 117.9006 60.2103 38.7852 177.7693 974 Q 4.0206 8.2194 117.9427 59.2254 28.6329 178.5013 975 N 4.3783 8.4115 117.6706 56.3697 38.5303 177.0338 976 C 4.3459 8.1878 119.8438 62.6704 31.5006 175.6255 977 A 4.0967 7.9562 121.0770 55.0613 18.0115 178.9350 978 E 4.0451 8.2605 117.2821 58.9730 29.7821 178.3191 979 F 4.3194 8.1939 119.6393 59.8463 40.2078 175.8604 980 N 4.5323 7.6155 114.4863 52.2554 39.4693 174.9489 981 E 4.0134 8.4583 121.0640 55.5795 30.1755 175.0096 982 P 4.4129 0.0000 0.0000 64.4852 31.7708 176.0572 983 D 4.7761 9.1304 119.9957 55.2557 38.4357 174.6726 984 S 4.5302 7.8916 115.8027 57.1660 65.5055 174.5526 985 E 3.9118 8.6518 121.9163 59.7469 29.2076 178.9654 986 V 3.6435 7.8389 117.2173 65.8314 31.6673 177.4514 987 A 4.1173 7.7821 119.7843 55.6011 18.2735 179.4657 988 N 4.3620 8.4440 114.6159 56.1920 38.5715 177.5706 989 A 4.2941 8.3807 122.4677 55.0911 18.4809 179.6857 990 G 3.6534 8.7520 104.6565 48.1945 0.0000 175.6599 991 I 3.6431 7.7819 122.7230 63.9606 37.1858 178.7245 992 K 3.9669 8.2924 119.2917 59.4392 31.8350 179.2331 993 L 3.9611 8.4757 120.9483 58.0155 41.9415 178.6330 994 E 2.5400 7.9890 119.6788 58.7899 29.5475 178.5993 995 N 4.2701 8.0673 116.5537 56.2376 38.5587 176.8202 996 Y 4.0969 8.0792 121.0255 60.5759 38.8467 177.7517 997 F 4.0214 8.5297 121.8750 61.5038 39.5278 176.8663 998 E 3.6028 8.2720 118.1347 59.3205 29.0691 179.0814 999 E 3.7939 7.8690 118.9683 59.1093 29.6812 178.8983 1000 L 3.5516 7.3443 119.1242 57.3736 41.5101 179.1856 1001 L 3.8026 7.5125 120.6872 57.9286 41.6852 179.2214 1002 K 3.9629 7.5066 117.7092 59.1666 31.9665 178.7567 1003 N 4.4162 7.4348 116.5040 55.7667 38.6015 176.8530 1004 L 4.1651 7.7144 118.7730 55.4194 43.3994 176.6570 1005 Y 4.7419 7.7108 115.3396 55.6751 38.2492 173.5932 1006 P 4.4227 0.0000 0.0000 62.9354 31.6137 177.1545 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 825 N 8.42 4.63 0.00 2.68 2.90 0.00 0.00 7.05 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 7.87 3.96 0.00 1.95 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 2.41 2.35 0.00 827 D 8.49 4.23 0.00 1.58 1.73 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 0.00 828 W 7.33 4.98 0.00 3.43 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.05 0.00 2.90 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 0.00 830 A 8.30 4.05 1.14 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 0.00 0.00 831 V 7.89 4.18 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 1.05 0.00 0.00 1.24 0.00 0.00 832 C 8.02 4.40 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 8.20 4.01 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 834 N 7.71 4.99 0.00 2.77 2.84 0.00 0.00 6.81 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 8.36 4.49 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 0.00 836 G 8.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 E 8.71 4.17 0.00 2.14 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 0.00 2.31 2.41 0.00 838 L 8.37 5.13 0.00 1.42 1.47 0.80 0.71 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 0.00 839 L 9.28 4.44 0.00 1.33 0.51 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.37 5.09 0.00 2.91 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 0.00 841 C 8.93 4.64 0.00 3.35 3.19 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 0.00 842 E 9.09 4.34 0.00 2.08 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 2.57 2.54 0.00 843 K 8.00 4.26 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.34 7.81 844 C 7.63 5.00 0.00 3.06 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 4.45 0.00 2.48 2.14 0.00 3.64 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 4.08 0.00 1.86 1.35 0.00 1.91 0.00 0.00 2.15 0.00 0.00 2.56 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.53 7.81 847 V 7.72 4.95 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 0.78 0.00 0.00 0.80 0.00 0.00 848 F 8.99 5.17 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 H 8.88 4.79 0.00 3.18 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 8.57 3.59 0.00 1.47 1.67 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.68 4.63 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 3.11 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 0.00 853 H 7.89 3.98 0.00 2.87 3.00 0.00 5.86 0.00 0.00 0.00 0.00 6.90 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 1.85 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 0.92 0.00 0.00 0.80 0.00 0.00 855 P 0.00 4.50 0.00 2.23 2.26 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 856 T 8.11 4.20 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 1.14 0.00 0.00 857 L 7.92 4.53 0.00 1.28 1.33 0.61 0.37 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 0.00 858 T 8.73 3.97 4.20 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 1.18 0.00 0.00 859 N 7.29 4.67 0.00 2.82 2.74 0.00 0.00 6.05 7.43 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 0.00 860 F 8.51 4.06 0.00 2.99 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 0.00 861 P 0.00 4.60 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 862 S 8.43 4.47 0.00 3.85 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 0.00 863 G 9.27 3.79 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 0.00 0.00 0.00 864 E 8.45 4.20 0.00 2.02 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 2.34 2.41 0.00 865 W 8.94 5.23 0.00 3.53 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 0.00 866 I 7.91 4.52 1.63 0.00 0.00 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 1.29 0.95 0.80 0.00 0.00 867 C 7.96 3.53 0.00 3.04 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 0.00 868 T 8.08 4.05 3.71 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 0.00 0.00 0.94 0.00 0.00 869 F 7.69 4.47 0.00 3.05 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 0.00 870 C 7.99 4.34 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.33 2.51 0.00 955 D 8.86 4.51 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 956 Y 7.39 5.00 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 957 S 8.20 4.27 0.00 4.03 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 0.00 958 M 8.07 4.26 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 959 Y 7.99 4.87 0.00 3.19 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 0.00 960 S 9.17 4.83 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 961 K 7.79 4.66 0.00 1.81 1.88 0.00 1.46 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.59 7.81 962 P 0.00 2.97 0.00 1.62 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 2.27 0.00 963 E 7.80 3.70 0.00 1.90 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 2.29 2.28 0.00 964 D 7.81 4.32 0.00 2.89 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 0.00 965 F 7.19 3.73 0.00 2.73 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 0.00 0.00 0.00 966 V 7.60 4.10 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 1.24 0.00 0.00 0.91 0.00 0.00 967 A 7.95 4.03 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 0.00 968 D 7.46 4.29 0.00 2.88 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 8.03 3.81 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 8.22 4.10 0.00 2.04 2.08 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 971 L 7.81 3.94 0.00 1.87 1.79 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 972 I 7.09 3.50 1.14 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 1.42 0.57 0.42 0.00 0.00 973 F 7.08 4.30 0.00 3.05 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 8.22 4.02 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 975 N 8.41 4.38 0.00 2.78 2.94 0.00 0.00 6.75 8.48 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 0.00 976 C 8.19 4.35 0.00 3.22 3.19 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 0.00 977 A 7.96 4.10 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 8.26 4.05 0.00 2.11 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 2.34 2.32 0.00 979 F 8.19 4.32 0.00 3.01 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 980 N 7.62 4.53 0.00 3.05 2.81 0.00 0.00 7.12 7.70 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 0.00 981 E 8.46 4.01 0.00 1.96 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 2.30 2.23 0.00 982 P 0.00 4.41 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 983 D 9.13 4.78 0.00 2.85 2.82 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 0.00 984 S 7.89 4.53 0.00 4.08 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 0.00 985 E 8.65 3.91 0.00 2.07 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 2.40 2.40 0.00 986 V 7.84 3.64 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 0.92 0.00 0.00 987 A 7.78 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.36 0.00 2.93 2.92 0.00 0.00 6.98 7.16 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 0.00 989 A 8.38 4.29 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 8.75 3.65 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 0.00 991 I 7.78 3.64 2.03 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 1.85 1.19 0.89 0.00 0.00 992 K 8.29 3.97 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 993 L 8.48 3.96 0.00 1.92 1.87 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 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 2.03 1.84 0.00 995 N 8.07 4.27 0.00 2.91 2.84 0.00 0.00 6.68 6.76 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 0.00 996 Y 8.08 4.10 0.00 3.10 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 0.00 997 F 8.53 4.02 0.00 3.27 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 0.00 998 E 8.27 3.60 0.00 2.07 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 2.60 2.46 0.00 999 E 7.87 3.79 0.00 2.00 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 2.19 2.20 0.00 1000 L 7.34 3.55 0.00 1.41 1.21 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.51 3.80 0.00 1.09 1.46 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.51 3.96 0.00 1.83 1.78 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.64 7.81 1003 N 7.43 4.42 0.00 2.60 2.73 0.00 0.00 7.01 7.74 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 1004 L 7.71 4.17 0.00 1.45 1.30 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 1005 Y 7.71 4.74 0.00 3.03 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 4.42 0.00 2.16 2.11 0.00 3.82 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 1.96 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.