NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 768 R 4.2936 8.2549 119.7066 55.0608 31.8389 175.5229 769 P 4.2592 0.0000 0.0000 61.3504 33.2710 175.3318 770 P 4.2312 0.0000 0.0000 65.8265 31.6842 178.5999 771 L 4.0208 7.7453 118.6423 58.0480 42.0483 178.8379 772 Q 3.5113 7.7368 117.6786 58.8403 28.5703 178.4326 773 E 4.0286 8.0354 119.1481 59.2573 29.3928 178.8425 774 Y 4.1831 8.0641 119.7773 60.7599 39.0509 178.1072 775 V 3.2590 7.7516 119.1387 65.9989 31.5127 178.1910 776 R 3.2853 7.9061 117.7789 58.7799 29.7922 178.8976 777 K 3.8686 8.1315 119.5451 59.4513 32.0732 178.8146 778 L 3.7924 7.6902 119.1678 57.7495 41.2920 179.4383 779 L 3.9746 7.2414 116.8565 56.9444 41.9991 177.5884 780 Y 4.6982 8.0125 115.3715 58.3830 38.9910 176.7285 781 K 4.3313 7.9710 115.8098 58.1592 34.5240 177.2615 782 D 4.4290 8.2606 117.2526 56.9187 40.9322 177.3615 783 L 4.0457 7.4143 121.3450 54.9359 42.5811 175.8509 784 S 4.5272 8.4139 118.5853 57.2670 66.1163 175.5347 785 K 3.8728 8.8030 119.6010 59.7986 31.7048 179.0012 786 V 3.7486 7.3920 116.6597 65.0172 31.6809 176.5423 787 T 4.5492 7.6812 108.1005 61.3214 69.3032 175.9809 788 T 3.8299 7.9936 115.1071 65.4419 68.6000 175.9610 789 E 3.9617 8.1057 120.8667 58.8382 29.5702 179.0807 790 K 3.9085 7.9278 119.1436 59.6655 32.3859 178.9834 791 V 3.6055 8.1325 118.8746 65.5926 31.3781 177.6788 792 L 3.9330 8.0510 120.3954 58.0573 41.8020 178.8919 793 R 3.8556 7.8795 118.3668 59.7369 29.8240 178.5955 794 Q 4.0790 7.9166 116.4658 59.0897 28.9994 178.3198 795 M 4.2393 8.3431 120.0810 58.4293 31.8159 178.8793 796 R 4.2191 7.9621 117.2689 59.2274 30.3274 178.5825 797 K 4.2709 7.7178 115.7074 56.5688 32.4519 177.5050 798 L 4.0593 6.9424 119.8502 53.9751 42.3515 176.0946 799 P 4.5802 0.0000 0.0000 61.5953 29.7365 176.7877 800 W 4.3552 8.1314 125.6264 59.9547 29.6323 177.7929 801 Q 4.0867 8.1341 116.4276 57.9771 28.6189 176.0990 802 D 4.5236 8.0663 118.0283 53.4804 41.4767 176.1934 803 Q 4.0654 8.7165 129.1738 59.3434 29.2157 177.8137 804 E 3.9845 8.2203 119.3341 59.3327 29.4586 179.5832 805 V 3.5507 7.8331 117.7876 65.6747 31.7464 177.6908 806 K 4.0799 8.0492 119.4307 59.9330 32.0401 178.3376 807 D 4.4591 8.4678 119.2595 57.6360 40.6948 178.3009 808 Y 3.9114 8.0506 119.8144 60.5222 38.8123 178.1588 809 V 3.5234 7.9333 119.2730 65.9568 31.6098 178.0008 810 I 3.7773 7.8940 119.5703 64.6740 37.0042 177.9684 811 C 4.0902 8.2182 119.4892 62.7291 31.1334 175.4190 812 C 4.3001 7.6266 118.7133 62.4634 27.6687 175.7047 813 M 4.2039 7.9537 119.6575 58.3011 31.6501 178.4662 814 I 4.0262 7.9095 119.3914 63.8626 38.3793 177.2174 815 N 4.9795 8.2085 118.8428 52.8390 36.4693 176.5305 816 I 3.5904 7.5641 121.0256 62.9496 38.4085 176.2090 817 W 4.4359 8.1989 115.2145 58.7651 27.9408 176.9072 818 N 3.4879 6.5440 115.5251 54.3880 37.9294 175.2766 819 V 3.9570 6.8638 118.1383 60.7914 32.7980 175.7112 820 K 3.9065 8.5039 125.2621 57.0127 32.1736 177.0238 821 Y 4.0849 9.0003 124.2596 60.8818 38.7146 177.1831 822 N 4.8685 8.2500 113.5511 53.6951 38.9842 175.9181 823 S 4.5494 8.1932 114.7823 58.2787 63.8798 175.8626 824 I 3.5421 7.2980 123.4832 64.5908 36.8163 177.7273 825 H 4.2932 8.1850 115.3807 58.9396 28.1002 177.2644 826 C 3.9716 7.5672 119.4714 62.5818 27.8312 176.2028 827 V 3.4963 7.5931 119.5692 65.6773 31.0863 177.8883 828 A 4.0509 7.9895 120.1831 55.1732 18.3508 178.9678 829 N 3.7656 7.3571 115.3854 56.4436 38.9902 176.7212 830 L 3.8985 7.9725 122.0369 58.1703 42.1811 178.7412 831 L 3.9363 8.1187 120.0077 58.0714 41.8053 178.5889 832 A 4.0952 7.8823 119.8587 55.3150 18.6957 179.5950 833 G 3.6887 8.0773 103.9136 47.7640 0.0000 175.8429 834 L 4.2635 8.0778 122.6749 57.8150 41.9154 179.0434 835 V 3.7286 7.6713 110.8256 63.0895 31.4973 177.8437 836 L 3.8414 7.2219 117.5648 57.1634 41.3780 177.9139 837 Y 4.6386 7.4725 114.1661 57.7760 40.6651 175.9958 838 Q 4.3042 8.0066 118.5742 52.7905 29.6630 174.9320 839 E 3.9031 8.2407 122.6147 58.9918 30.1526 177.4004 840 D 4.2022 8.0332 118.6930 56.3470 39.1412 178.7924 841 V 3.6927 7.5279 119.8177 65.7191 31.5261 178.1702 842 G 3.5654 7.9036 104.9829 47.8819 0.0000 175.5033 843 I 3.6868 7.3255 122.3794 64.4873 37.1570 178.3825 844 H 4.3398 8.1568 116.9873 58.6229 28.3831 178.1673 845 V 3.6265 7.8798 120.3096 65.8825 31.4110 178.2181 846 V 3.4684 7.7835 117.9225 66.2349 31.4135 177.5925 847 D 4.4819 8.3257 118.7674 57.4424 40.6325 179.2652 848 G 3.6111 8.1244 106.1222 47.7207 0.0000 176.0501 849 V 3.7152 8.1297 121.0442 65.7733 31.6707 178.2087 850 L 3.9880 7.9957 118.8692 57.5704 41.3565 178.9808 851 E 3.9176 8.3113 119.3703 59.4681 29.5202 178.7019 852 D 4.3483 8.3118 118.9172 57.2612 40.6934 178.8158 853 I 3.8081 7.9795 120.4831 64.3010 37.0162 178.4393 854 R 3.7362 7.8120 119.1194 59.3887 29.9130 178.2976 855 L 4.2465 8.2820 120.6070 57.9568 41.9434 178.8406 856 G 3.8158 8.4808 106.2232 48.5127 0.0000 175.5633 857 M 4.3071 7.7785 119.8376 57.9460 32.0358 178.4646 858 E 4.2845 7.9650 118.2704 59.1146 28.7527 179.1790 859 V 3.7199 8.4014 118.7884 65.2511 32.0263 177.3766 860 N 4.1346 8.2147 114.4722 54.5056 38.0947 173.7802 861 Q 4.5340 7.4598 112.5896 53.5784 30.6104 175.8480 862 P 4.1324 0.0000 0.0000 65.0767 31.5498 178.4590 863 K 3.8654 7.6967 115.9599 58.7561 32.6988 177.9065 864 F 4.7445 7.7721 118.1328 57.3777 38.9108 176.9819 865 N 4.0249 7.8401 118.9383 56.5220 38.3911 176.9212 866 Q 4.0575 8.0574 120.2149 59.4042 29.1978 178.4686 867 R 4.1260 7.9120 118.5872 59.3007 30.1631 179.1133 868 R 4.1164 8.3775 118.0458 59.2541 30.0634 179.1085 869 I 3.8157 8.2943 119.7785 64.5454 37.2468 178.5960 870 S 4.3565 8.4320 115.9726 61.8736 62.7248 176.9720 871 S 4.4448 8.4535 117.5570 61.6339 62.6830 176.6561 872 A 4.1392 8.2191 123.5203 55.0290 18.1519 179.5674 873 K 3.9164 8.4240 118.3135 59.5659 32.2523 178.7839 874 F 4.4754 8.5120 121.0259 61.3101 39.3288 176.6751 875 L 3.8983 8.1853 120.1075 58.1830 41.8275 179.2013 876 G 3.6627 8.0576 105.3018 48.0306 0.0000 175.5440 877 E 4.2696 8.5202 120.9374 58.8515 29.5046 179.3284 878 L 3.9877 8.4198 119.8483 57.6876 41.4723 178.8765 879 Y 4.2403 7.9913 120.8741 60.4027 38.6087 177.8468 880 N 3.9812 8.0335 115.8743 55.5512 38.5347 175.9703 881 Y 4.3587 7.5433 115.9141 57.1656 38.4971 176.0112 882 R 3.7560 7.6135 116.7988 57.4278 28.0747 177.5756 883 M 4.2129 7.9885 120.1820 57.3864 32.4289 177.0448 884 V 4.5087 7.2986 110.0965 59.3642 35.7618 174.7795 885 E 4.6139 8.4182 121.6701 55.2270 31.0044 177.8730 886 S 3.9756 8.9464 114.4932 61.8119 62.6326 176.2903 887 A 4.0731 8.1295 123.7804 55.0294 18.1863 179.5866 888 V 3.4833 7.6301 116.7878 66.1097 31.4959 178.3885 889 I 3.5028 7.4970 119.0018 64.4295 37.0168 178.3556 890 F 3.9833 7.9682 118.5982 60.3114 38.7732 177.8363 891 R 3.9869 8.2707 118.0621 59.7830 30.0105 179.2702 892 T 3.5471 7.5690 114.7693 66.2931 67.9966 176.8841 893 L 3.5644 7.5956 121.0855 57.9891 41.2294 179.3291 894 Y 4.3454 7.8802 116.5065 60.9454 37.7360 178.2395 895 S 4.2713 7.9455 114.0083 61.6432 62.1810 176.3242 896 F 4.7107 7.6223 119.1074 60.5178 38.7753 176.9056 897 T 3.9464 7.6843 105.5476 62.1784 69.5312 175.3422 898 S 4.7502 8.1153 114.1741 58.0307 64.8602 173.7111 899 F 4.4855 8.9459 124.7528 59.0412 39.1324 174.8714 900 G 3.5468 8.3085 115.2395 45.8422 0.0000 172.5006 901 V 4.3612 7.4660 119.0831 60.7089 33.0721 175.5013 902 N 4.5430 8.5031 124.7877 52.5358 39.0230 173.9897 903 P 4.5770 0.0000 0.0000 63.9683 31.7265 176.2772 904 D 4.4226 7.6501 117.6062 52.6707 39.6603 177.1568 905 G 2.6509 6.5196 107.3174 45.3472 0.0000 174.4970 906 S 4.2385 7.4818 114.1377 56.7197 63.7239 172.5710 907 P 4.5589 0.0000 0.0000 63.1202 31.5679 175.1561 908 S 4.6635 8.1155 113.0158 56.5658 66.4288 174.0717 909 S 4.2056 8.7812 114.1173 61.5383 61.9188 175.1974 910 L 4.2641 7.7297 117.0789 56.0890 42.5331 176.5047 911 D 4.9275 7.6963 118.3486 51.6098 41.0811 172.6888 912 P 4.8344 0.0000 0.0000 61.2807 32.9676 176.5328 913 P 4.2153 0.0000 0.0000 66.0075 31.0847 177.5857 914 E 4.3866 8.0056 113.2430 56.6172 29.6192 175.7965 915 H 4.6333 8.1758 120.3486 55.7504 29.6551 174.4497 916 L 4.7859 8.3397 125.7815 54.4625 42.4835 178.4211 917 F 4.2455 7.9019 123.0851 61.1742 39.2212 177.0284 918 R 3.7633 8.2131 117.5946 59.3254 29.8429 178.7523 919 I 4.0625 7.8507 118.9348 64.5501 37.1119 178.6641 920 R 3.8175 7.7634 118.3197 59.0709 29.9485 178.8680 921 L 3.4675 7.2316 118.7093 57.5177 41.3946 179.6262 922 V 3.5899 7.4203 117.9375 66.4854 31.4049 177.9692 923 C 4.1451 8.0767 116.1338 62.7506 27.3607 176.2778 924 T 3.8886 7.9914 117.6667 66.7846 68.1115 176.7299 925 I 3.7577 7.6566 121.4875 64.3626 37.1761 178.5624 926 L 3.9439 8.0616 119.9627 57.8957 41.2274 179.3117 927 D 4.4188 8.1410 117.6809 56.8811 40.7357 178.4881 928 T 4.2779 7.2364 115.2785 65.4036 69.2682 175.3441 929 C 4.8464 8.0913 111.7483 57.0532 31.4107 175.9532 930 G 3.4455 7.7133 110.2941 48.6449 0.0000 175.7758 931 Q 3.8929 7.5534 117.3271 58.1992 28.7094 176.4164 932 Y 4.5863 7.0125 114.0321 58.2254 38.8742 175.8244 933 F 5.4765 8.0385 120.5520 56.8199 38.8097 176.3809 934 D 5.0535 8.1677 117.2429 53.1258 40.7693 176.2376 935 R 4.7519 7.4303 118.5004 55.2767 34.6995 175.9313 936 G 3.7787 8.5103 108.4043 46.9240 0.0000 176.8067 937 S 4.1703 8.6635 115.7504 61.3084 62.9157 176.5488 938 S 4.0982 8.1018 117.3184 60.5735 62.9118 176.1593 939 K 4.6236 7.9092 124.6098 59.1292 31.9951 178.7004 940 R 3.9420 7.6957 118.2250 59.3015 29.9574 178.5439 941 K 3.7128 7.8377 118.3420 59.1670 31.7853 179.0972 942 L 4.2806 7.9834 120.5370 58.2968 42.1091 178.5636 943 D 4.4587 8.2383 118.8569 57.7264 40.6598 178.7715 944 C 4.2407 8.3010 116.9586 62.8447 28.1416 175.6659 945 F 4.2592 8.3962 123.6233 60.8668 38.9141 177.2959 946 L 3.8979 8.5031 118.5727 57.3478 41.1891 179.6681 947 V 3.4685 7.5896 118.0608 66.3310 31.5014 177.7843 948 Y 4.0176 7.6383 116.4097 60.8418 37.6335 178.1952 949 F 4.3082 8.1016 122.0674 61.4797 39.4814 177.2782 950 Q 3.7513 8.1260 117.6784 58.7074 28.3560 178.6887 951 R 3.8642 7.5389 121.3482 58.7586 30.0365 177.8235 952 Y 3.8808 7.7793 119.3470 60.6772 38.7440 178.2953 953 V 3.2872 7.6354 119.0417 65.8692 31.6163 178.1079 954 W 3.7593 7.8535 118.3235 58.9846 28.5677 178.5430 955 W 4.6021 8.0806 118.8644 59.9951 28.3759 178.2869 956 K 4.2742 7.9085 118.2135 59.5275 31.2953 179.6367 957 K 3.5641 7.8279 117.4503 58.4926 31.8583 178.5939 958 S 4.6866 7.7742 112.8598 57.8022 63.7638 174.5360 959 L 4.2675 7.4358 122.8163 54.4757 41.9650 178.1451 960 E 4.1227 8.6067 119.6815 58.7160 29.9895 178.4901 961 V 3.3817 7.5217 118.6482 63.8748 31.2375 176.3511 962 W 5.0771 7.3195 120.7439 56.1518 29.3398 175.5042 963 T 4.8608 8.6284 112.8320 59.7231 71.7033 173.9965 964 K 4.1499 8.7498 120.2335 59.7348 32.0428 178.6133 965 D 4.5610 8.0791 117.0836 56.5998 41.6719 176.0524 966 H 4.9093 8.0652 118.5623 53.6526 29.6461 170.4599 967 P 4.9603 0.0000 0.0000 61.4103 32.7320 176.9152 968 F 2.3272 8.6864 121.7083 57.4469 39.6112 173.2100 969 P 4.0905 0.0000 0.0000 62.4720 31.5882 177.1200 970 I 3.4512 8.2090 123.3678 63.7624 37.8272 177.4243 971 D 4.4413 7.8667 119.4619 57.1487 40.5849 178.5309 972 I 3.7609 7.4649 120.1895 64.1698 37.0387 177.9193 973 D 4.3081 7.9790 119.3110 57.8320 40.6670 178.5124 974 Y 4.4960 7.8245 118.3418 60.5616 37.8039 178.1157 975 M 4.0589 8.1829 119.2851 58.7226 32.3795 178.2097 976 I 3.8234 7.9843 120.1277 64.5724 36.9325 178.5453 977 S 4.1950 8.3272 115.0025 61.7290 62.6379 176.2034 978 D 4.3926 8.6798 122.9880 57.2589 40.4026 178.9928 979 T 3.9221 7.9720 116.1813 66.7400 68.5221 176.9556 980 L 4.1188 8.1764 120.9555 57.8762 41.3536 179.4426 981 E 4.2027 8.4844 118.5427 58.9493 29.1244 179.1223 982 L 4.0425 7.5135 120.2417 58.0795 42.2323 178.6782 983 L 4.3580 7.5915 117.9991 56.5930 42.8975 177.8655 984 R 4.6584 8.1638 117.9548 53.2768 31.4355 173.2975 985 P 4.3086 0.0000 0.0000 64.1169 31.7295 177.4604 986 K 4.4299 7.8205 114.2388 55.7309 32.3988 176.2583 987 I 3.6619 7.6008 120.1024 61.0574 38.3005 175.2762 988 K 4.2363 8.3857 127.4854 55.0637 32.1744 176.0569 989 L 4.4866 8.3667 127.4843 53.8343 42.0824 176.8479 990 C 4.4602 9.0454 122.7903 60.3735 28.4443 173.5625 991 N 4.9334 8.6796 120.4306 53.0759 38.6853 175.0315 992 S 3.0523 6.1263 112.7256 55.3807 66.9179 174.8726 993 L 3.7341 7.5256 123.4472 58.1013 41.8130 178.7926 994 E 3.8528 7.7542 118.0518 59.3700 29.4689 178.7127 995 E 3.7803 7.7851 119.4784 59.2487 29.5028 179.0187 996 S 3.9939 7.4596 114.1219 61.4897 62.9024 176.6034 997 I 3.6820 7.7671 123.3871 63.9955 36.7123 178.6284 998 R 4.0061 7.8830 119.0849 59.2006 29.8826 178.9651 999 Q 3.8557 7.8868 117.8969 58.9289 28.6192 179.2012 1000 V 3.2358 7.4016 118.5407 65.9762 31.5419 178.0056 1001 Q 3.9437 8.1957 117.9956 59.1296 28.3698 178.7023 1002 D 4.2502 8.2279 120.0687 57.1962 40.8285 178.6173 1003 L 3.8682 7.6116 122.1028 57.5800 42.0962 178.8168 1004 E 3.9524 8.2395 118.2601 58.5834 29.4426 179.2294 1005 R 3.9000 7.8391 119.5470 59.1696 29.9371 178.2652 1006 E 3.9005 7.6815 118.3433 59.4643 29.4419 179.1180 1007 F 4.5921 7.6576 117.7661 60.7575 39.0140 177.3925 1008 L 4.0226 8.1425 119.6726 58.3972 41.6261 179.1472 1009 I 3.7145 7.5006 118.2063 64.2323 37.1167 178.0021 1010 K 4.1108 7.8811 119.3445 59.6351 32.1565 178.6623 1011 L 4.1856 8.3366 118.4701 55.2474 41.7546 177.1634 1012 G 3.8811 8.0278 106.2824 46.6882 0.0000 174.9820 1013 L 4.1821 8.1301 120.6382 56.2392 42.3719 178.0582 1014 V 4.0098 7.8447 117.5919 64.7309 33.4655 175.3920 *1015 N 4.5594 8.0934 119.1340 52.4712 38.1475 175.6175 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 768 R 8.25 4.29 0.00 1.80 1.89 0.00 3.44 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 769 P 0.00 4.26 0.00 2.12 1.90 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 770 P 0.00 4.23 0.00 2.08 2.05 0.00 3.53 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 771 L 7.75 4.02 0.00 1.67 1.53 0.96 0.68 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 0.00 772 Q 7.74 3.51 0.00 2.03 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 773 E 8.04 4.03 0.00 2.15 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 0.00 2.32 2.46 0.00 774 Y 8.06 4.18 0.00 3.03 3.06 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 0.00 775 V 7.75 3.26 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 0.87 0.00 0.00 0.84 0.00 0.00 776 R 7.91 3.29 0.00 2.04 1.95 0.00 3.40 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 777 K 8.13 3.87 0.00 1.95 1.95 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.70 1.50 7.81 778 L 7.69 3.79 0.00 1.56 1.47 0.34 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 779 L 7.24 3.97 0.00 1.02 1.52 0.68 0.55 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 0.00 780 Y 8.01 4.70 0.00 3.01 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 0.00 781 K 7.97 4.33 0.00 1.87 1.80 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.46 7.81 782 D 8.26 4.43 0.00 2.78 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 0.00 783 L 7.41 4.05 0.00 1.65 1.67 0.87 0.83 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 0.00 784 S 8.41 4.53 0.00 3.99 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 0.00 785 K 8.80 3.87 0.00 1.79 1.98 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.49 7.81 786 V 7.39 3.75 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 0.78 0.00 0.00 0.94 0.00 0.00 787 T 7.68 4.55 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 1.25 0.00 0.00 788 T 7.99 3.83 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 1.26 0.00 0.00 789 E 8.11 3.96 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 790 K 7.93 3.91 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.50 7.81 791 V 8.13 3.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 792 L 8.05 3.93 0.00 1.89 1.91 0.99 0.76 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 0.00 793 R 7.88 3.86 0.00 1.95 2.10 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 794 Q 7.92 4.08 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 795 M 8.34 4.24 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 796 R 7.96 4.22 0.00 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1.45 7.81 821 Y 9.00 4.08 0.00 3.04 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 0.00 822 N 8.25 4.87 0.00 2.81 2.91 0.00 0.00 6.76 7.57 0.00 0.00 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 S 8.19 4.55 0.00 3.90 3.78 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 0.00 824 I 7.30 3.54 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.86 0.00 0.00 825 H 8.18 4.29 0.00 3.72 3.67 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 C 7.57 3.97 0.00 3.02 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 0.00 827 V 7.59 3.50 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 0.92 0.00 0.00 0.78 0.00 0.00 828 A 7.99 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.36 3.77 0.00 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0.00 0.00 854 R 7.81 3.74 0.00 1.79 1.99 0.00 2.41 0.00 0.00 2.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 855 L 8.28 4.25 0.00 1.82 1.62 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 856 G 8.48 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 0.00 857 M 7.78 4.31 0.00 2.40 2.56 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.88 0.00 858 E 7.97 4.28 0.00 2.12 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 2.71 2.76 0.00 859 V 8.40 3.72 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 1.11 0.00 0.00 0.95 0.00 0.00 860 N 8.21 4.13 0.00 3.07 2.84 0.00 0.00 7.32 7.41 0.00 0.00 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 Q 7.46 4.53 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 862 P 0.00 4.13 0.00 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0.00 0.00 953 V 7.64 3.29 1.80 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 0.43 0.00 0.00 0.27 0.00 0.00 954 W 7.85 3.76 0.00 3.33 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 0.00 955 W 8.08 4.60 0.00 3.41 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 956 K 7.91 4.27 0.00 1.90 2.05 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.98 1.44 7.81 957 K 7.83 3.56 0.00 0.97 1.11 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 958 S 7.77 4.69 0.00 4.04 4.05 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 0.00 959 L 7.44 4.27 0.00 1.81 1.52 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 960 E 8.61 4.12 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 2.21 2.21 0.00 961 V 7.52 3.38 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 -0.76 0.00 0.00 0.40 0.00 0.00 962 W 7.32 5.08 0.00 3.42 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 0.00 963 T 8.63 4.86 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 964 K 8.75 4.15 0.00 1.81 1.95 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.51 7.81 965 D 8.08 4.56 0.00 2.71 2.77 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 0.00 966 H 8.07 4.91 0.00 3.22 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 967 P 0.00 4.96 0.00 2.22 2.08 0.00 3.87 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 1.98 1.96 0.00 968 F 8.69 2.33 0.00 2.26 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 0.00 969 P 0.00 4.09 0.00 1.96 1.96 0.00 2.20 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 970 I 8.21 3.45 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.84 0.77 0.00 0.00 971 D 7.87 4.44 0.00 2.68 2.71 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 0.00 972 I 7.46 3.76 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.93 0.00 0.00 973 D 7.98 4.31 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 974 Y 7.82 4.50 0.00 3.12 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 0.00 975 M 8.18 4.06 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 976 I 7.98 3.82 2.03 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 1.68 0.64 0.92 0.00 0.00 977 S 8.33 4.19 0.00 4.11 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 0.00 978 D 8.68 4.39 0.00 2.76 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 0.00 979 T 7.97 3.92 4.47 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 0.00 0.00 0.00 1.32 0.00 0.00 980 L 8.18 4.12 0.00 1.97 1.79 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 981 E 8.48 4.20 0.00 2.14 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 2.35 2.41 0.00 982 L 7.51 4.04 0.00 1.65 1.96 0.89 1.02 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 0.00 983 L 7.59 4.36 0.00 1.80 1.76 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 984 R 8.16 4.66 0.00 1.94 1.82 0.00 3.36 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 985 P 0.00 4.31 0.00 2.04 2.15 0.00 3.72 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 986 K 7.82 4.43 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 987 I 7.60 3.66 2.01 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 1.21 0.77 1.00 0.00 0.00 988 K 8.39 4.24 0.00 1.72 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.55 7.81 989 L 8.37 4.49 0.00 1.71 1.66 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 990 C 9.05 4.46 0.00 3.00 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 0.00 991 N 8.68 4.93 0.00 2.60 2.78 0.00 0.00 6.81 7.14 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 0.00 992 S 6.13 3.05 0.00 3.72 3.51 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 0.00 993 L 7.53 3.73 0.00 1.91 1.65 1.14 1.03 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 0.00 994 E 7.75 3.85 0.00 1.93 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 2.33 2.36 0.00 995 E 7.79 3.78 0.00 1.82 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 2.15 2.19 0.00 996 S 7.46 3.99 0.00 3.94 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 0.00 997 I 7.77 3.68 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 0.92 0.00 0.00 998 R 7.88 4.01 0.00 1.93 1.89 0.00 3.05 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 999 Q 7.89 3.86 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 1000 V 7.40 3.24 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 1.05 0.00 0.00 0.59 0.00 0.00 1001 Q 8.20 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 1002 D 8.23 4.25 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 L 7.61 3.87 0.00 1.56 1.47 0.62 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 1004 E 8.24 3.95 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 1005 R 7.84 3.90 0.00 1.97 1.99 0.00 3.06 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 1006 E 7.68 3.90 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 1007 F 7.66 4.59 0.00 3.21 3.01 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 1008 L 8.14 4.02 0.00 2.00 1.92 0.96 0.90 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 1009 I 7.50 3.71 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.93 0.00 0.00 1010 K 7.88 4.11 0.00 1.86 2.02 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 1011 L 8.34 4.19 0.00 1.67 1.73 0.94 0.77 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 1012 G 8.03 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 1013 L 8.13 4.18 0.00 1.67 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1014 V 7.84 4.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 *1015 N 8.09 4.56 0.00 2.54 2.62 0.00 0.00 6.50 7.56 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 * Residues marked with a * may have inaccurate shift predictions.