NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 659 L 4.3356 8.1429 120.7683 54.4223 43.8772 179.3561 660 D 4.3590 8.2686 121.5626 58.2496 39.6149 179.6737 661 L 4.3374 8.1745 125.2820 59.8114 41.2937 181.2405 662 I 3.9244 7.7880 120.4666 65.0573 35.4766 180.0631 663 L 4.4191 8.1216 121.8404 57.9507 41.9548 179.2256 664 V 3.6872 7.7532 117.9276 65.8693 31.3561 177.9032 665 E 4.0266 8.5730 118.7810 59.4948 29.2923 179.1231 666 E 3.9753 8.0685 118.4974 59.4280 29.4388 178.8712 667 Y 3.9572 7.9665 119.0366 60.9222 38.9705 177.7745 668 D 4.2432 8.3132 119.8224 57.2042 40.8785 178.6291 669 S 4.0158 8.3271 113.9693 61.3046 62.4012 175.8066 670 L 3.8263 7.8624 122.7239 58.4366 41.6250 178.8403 671 I 3.3866 7.1267 118.1640 64.3734 37.1064 177.7344 672 E 4.0768 8.1097 119.8778 59.1013 29.4309 178.9658 673 K 4.0482 8.0646 118.4235 59.9286 32.0817 179.1214 674 M 3.7716 8.1192 116.4573 57.1120 31.8296 178.2368 675 S 4.5844 7.7420 114.7835 59.2732 63.4557 173.6275 676 N 5.0669 7.5612 119.6729 51.3407 39.6180 175.1478 677 W 3.8177 9.0701 132.6157 60.1097 31.3129 176.0811 678 N 4.5322 7.9317 116.2573 51.8413 37.6097 175.6847 679 F 4.2676 7.8986 120.1358 58.0838 40.7007 174.2221 680 P 4.3894 0.0000 0.0000 61.8579 29.5667 176.6354 681 I 2.4295 6.4573 121.5629 64.7380 37.9746 176.5867 682 F 3.9143 7.5351 117.4172 59.8434 38.6203 177.4573 683 E 3.9338 8.0494 118.9776 59.0926 29.2294 178.6611 684 L 3.8942 7.6824 119.9040 58.3432 41.8939 178.8190 685 V 3.4913 7.3337 116.6620 66.2181 31.5856 177.6423 686 E 4.0767 7.7929 118.0325 59.2336 29.1799 178.9471 687 K 3.8773 8.1111 118.7923 59.9868 32.4674 178.4050 688 M 4.2155 8.5693 118.5230 54.9239 32.1769 178.3413 689 G 3.8150 8.6357 107.7068 46.4230 0.0000 177.5327 690 E 4.0280 9.0357 124.2211 58.4601 29.4928 177.2314 691 K 4.4256 8.2240 118.0418 56.2049 32.5003 178.2693 692 S 4.0502 8.0794 117.6816 61.4898 62.1934 176.3822 693 G 3.8205 8.0635 106.3819 47.1737 0.0000 173.7058 694 R 5.2473 7.7960 118.3902 55.3835 30.8066 177.9388 695 I 3.6287 7.7014 121.1118 64.0633 37.7790 177.6832 696 L 3.9015 8.0478 122.2470 57.5249 41.9169 178.9342 697 S 3.9865 8.8912 114.5546 61.6056 62.9615 176.4351 698 Q 4.0462 8.1447 121.8894 58.6602 28.3734 179.0606 699 V 3.5117 7.9624 119.3188 65.9804 31.4257 178.0546 700 M 3.9366 8.1158 118.7375 58.3182 31.7016 178.0671 701 Y 4.3442 8.3850 119.8463 61.2355 39.0290 178.0206 702 T 3.8768 8.0199 116.6031 66.8524 68.4582 176.5683 703 L 3.5748 7.9801 120.7884 57.5912 41.3301 179.5237 704 F 3.8719 8.7438 117.8683 60.0581 38.6835 177.7584 705 Q 3.9036 7.9355 118.2209 58.9032 28.7334 177.6409 706 D 4.5137 8.3200 119.0142 57.8567 40.6172 178.5006 707 T 4.2320 8.3446 116.1434 63.9279 68.6711 176.5547 708 G 3.8476 8.2116 108.5056 45.1678 0.0000 174.8976 709 L 4.1175 7.9217 120.1328 57.9592 41.5089 178.9528 710 L 4.1191 7.7272 118.4975 58.0027 41.6221 179.3525 711 E 3.9691 8.1026 118.3315 59.3664 29.6074 178.3625 712 I 3.6470 7.8553 118.8247 63.4494 37.0765 176.7909 713 F 4.6859 8.0895 116.3901 56.8135 39.9511 175.8067 714 K 3.8501 7.8270 117.4775 57.4303 29.7586 175.9104 715 I 4.3636 8.3846 119.8609 59.4730 38.1322 175.5991 716 P 4.4130 0.0000 0.0000 63.1991 32.1341 176.9038 717 T 3.9222 8.8426 120.0529 66.8524 68.3057 175.8994 718 Q 3.9560 8.0925 120.6094 59.4306 29.1551 178.0901 719 Q 4.7923 8.1462 119.7361 58.5681 28.8468 178.1739 720 F 3.6993 8.2768 120.9828 62.0631 39.3207 177.2272 721 M 4.1156 8.4949 117.8410 58.2163 31.5967 178.6831 722 N 4.3803 8.4712 117.1802 56.4645 38.7181 176.7149 723 Y 3.2214 8.2064 120.9661 60.6594 38.9765 178.1139 724 F 3.3803 7.3195 118.4022 60.1984 38.6238 177.9785 725 R 4.0999 7.8298 117.1591 58.8275 29.7089 178.6434 726 A 4.0248 7.3160 120.9263 54.8366 18.3563 179.1775 727 L 3.5544 7.7320 119.6428 58.2868 42.0875 178.7637 728 E 4.0993 8.1044 118.2999 59.9249 29.3327 179.3072 729 N 4.6270 7.7679 113.6662 55.5691 38.4864 177.2477 730 G 3.6857 8.5930 108.0582 46.2507 0.0000 173.1763 731 Y 4.0863 7.6471 119.6179 57.3468 38.0793 176.0618 732 R 4.1455 8.3456 124.0662 56.2983 31.2708 176.9406 733 D 4.6724 8.2614 120.6099 52.7492 39.4694 175.0943 734 I 4.6206 7.1588 115.9395 57.5317 40.7544 175.6037 735 P 4.2589 0.0000 0.0000 65.7485 31.0276 175.7491 736 Y 4.5980 7.7287 116.2665 59.5322 40.7670 176.0228 737 H 4.3854 8.5459 116.9459 54.9692 27.1562 173.4218 738 N 5.3058 7.3032 119.8670 50.2639 42.0874 175.1003 739 R 3.0871 8.3845 115.9815 59.3724 28.9370 178.7808 740 I 3.5575 7.9098 120.5325 64.2209 37.0212 177.7088 741 H 3.6088 8.2951 118.3670 59.0520 29.6164 176.7394 742 A 3.7527 7.3240 122.2427 55.5009 18.1047 179.6094 743 T 3.6434 7.7599 114.1398 66.7251 68.5071 176.1314 744 D 4.4021 8.1091 119.9495 57.5569 41.2565 178.4852 745 V 3.4312 7.8221 118.9608 65.7279 31.3533 177.6487 746 L 3.8654 7.9725 120.2878 58.5226 41.9475 178.2135 747 H 4.1358 8.5886 118.2736 59.3569 29.6225 176.9789 748 A 4.0357 8.2163 122.3117 55.4660 18.1974 180.0866 749 V 3.7337 7.8602 110.9023 64.1220 31.7208 178.7100 750 W 3.9781 8.3902 128.2107 60.6009 30.7021 177.3363 751 Y 3.2580 8.3517 119.5612 60.5993 38.0653 178.1991 752 L 4.3043 8.8503 118.8173 56.8880 42.0369 178.4938 753 T 4.5532 7.6531 108.1663 61.5618 68.8446 174.9571 754 T 4.0144 6.7519 115.5370 65.4185 70.4830 175.0701 755 R 3.8362 6.7234 117.8397 55.0863 30.6879 174.8889 756 P 4.6395 0.0000 0.0000 62.3895 32.7346 175.5764 757 V 4.2311 9.3096 125.7388 60.2229 33.5526 173.1105 758 P 3.2164 0.0000 0.0000 63.9267 31.1588 176.9645 759 G 4.0035 9.1497 111.2723 45.4848 0.0000 173.1257 760 L 4.0809 7.7655 123.2351 54.4921 42.5162 176.7719 761 Q 4.1864 8.5588 124.7941 56.3484 29.7144 176.2213 762 Q 4.3752 8.1182 119.4370 53.9973 29.6250 175.8490 763 I 3.5188 7.9357 117.1692 64.3164 35.3301 177.8541 *764 H 4.5215 9.1926 116.8768 58.4341 28.8660 177.9026 765 N 3.9290 6.5976 116.2705 51.8175 39.4493 176.7492 766 G 3.6300 8.2814 112.8466 45.1692 0.0000 174.3484 *783 R 4.1873 8.2350 122.9791 56.0439 30.9832 170.9383 784 I 4.6360 8.1652 118.9136 60.0612 39.1519 175.4880 785 A 4.6231 8.3859 127.2640 51.6614 20.5242 175.7281 786 Y 5.0194 8.3807 116.5807 56.2058 41.8944 175.6532 787 I 4.3122 8.3868 117.0303 60.6324 40.1482 174.8244 788 S 4.4148 7.7615 113.6109 57.4167 65.4462 175.0585 789 S 4.6894 8.8790 123.2298 58.5359 62.5908 174.0884 790 K 4.3022 8.8849 125.6687 57.3695 32.1701 177.5472 791 S 4.7193 7.5394 112.9890 57.2979 63.1101 173.1256 792 C 4.6947 7.5468 113.7514 58.7932 31.1375 172.6625 793 S 4.5272 7.9968 112.7369 57.0092 65.1527 174.3184 794 N 4.2825 8.4614 119.8913 52.6744 38.8776 174.4929 795 P 4.2381 0.0000 0.0000 65.6279 31.8394 175.4133 796 D 4.4615 7.6612 116.9350 53.7927 41.5418 176.3596 797 E 4.1434 9.1080 116.8015 59.0705 29.8600 174.3895 798 S 4.4556 9.5750 114.3041 60.5057 62.6069 178.4515 799 Y 5.1270 7.7747 115.6367 57.4538 41.2896 174.1412 800 G 4.1348 8.5304 105.6158 47.6475 0.0000 171.6979 801 C 4.8468 7.9606 111.8663 57.0547 32.1085 175.3443 802 L 3.6893 8.5864 120.9408 57.7835 41.4480 179.6385 803 S 4.3773 7.7068 112.3396 60.8150 62.4869 175.2854 804 S 4.5340 8.0538 115.9164 58.7239 63.2788 174.8905 805 N 4.7593 8.3614 116.2948 52.5731 40.0462 174.4650 806 I 4.5846 7.6173 119.0313 58.1679 39.4891 174.0637 807 P 3.2271 0.0000 0.0000 62.8613 32.6650 176.8896 808 A 3.9915 8.4894 122.2356 55.3138 18.2424 180.0517 809 L 3.8387 8.0601 118.2440 58.5214 42.3055 178.9429 810 E 3.9568 8.1257 117.8335 59.5575 29.5285 179.3080 811 L 3.7952 7.8034 118.6257 57.4602 41.4658 179.1992 812 M 3.8903 8.0580 118.5011 58.2671 32.1546 178.0386 813 A 3.5596 8.0908 121.2041 54.7118 18.3668 179.3537 814 L 3.8194 7.5826 118.6633 58.5911 42.3607 178.7926 815 Y 4.4927 7.7784 116.6333 61.2669 37.9477 178.9864 816 V 3.7815 8.5370 119.1611 65.9928 31.7417 177.7625 817 A 3.9810 8.6713 120.6757 55.3045 17.9658 179.4283 818 A 3.9183 8.2586 118.1638 55.3359 18.5219 179.5072 819 A 4.1103 7.8915 118.1636 54.2502 18.7288 178.6212 820 M 4.7032 7.7941 113.3870 55.4908 31.6426 177.4346 821 H 4.3596 8.4537 117.0807 58.1225 28.2185 175.5931 822 D 4.3730 7.8039 120.4258 53.4454 41.5351 174.7612 823 Y 2.9319 7.5114 120.3192 59.1049 39.0007 175.8357 824 D 4.0930 7.0790 125.2892 54.0236 39.6797 173.0314 825 H 4.2930 7.4555 116.3823 55.3741 30.4740 173.0321 826 P 4.4224 0.0000 0.0000 63.0408 31.8205 176.1521 827 G 4.0930 8.9075 106.7899 46.6604 0.0000 173.1683 828 R 4.6677 7.7886 117.0714 53.4807 33.6164 174.7283 829 T 4.5216 8.3362 112.8534 60.7424 71.6683 175.7145 830 N 4.3596 8.6890 118.8196 56.4249 38.5184 177.3497 831 A 4.0225 8.0854 121.7022 55.1426 18.3978 179.2617 832 F 3.9598 8.1315 118.5028 61.4138 39.4733 177.2164 833 L 4.0511 8.1274 118.5936 57.9791 41.3583 179.7672 834 V 3.5539 8.4196 118.1128 65.8571 31.2170 177.9432 835 A 3.9502 8.1116 120.1326 55.1672 18.3458 178.9023 836 T 4.0074 7.5842 105.2037 60.7775 69.4513 174.2382 837 N 4.0688 7.7662 117.1276 54.0935 37.0270 174.6676 838 A 4.1268 7.9847 120.3135 51.4765 19.6165 177.3726 839 P 4.2291 0.0000 0.0000 66.5599 30.8055 178.7033 840 Q 4.1361 8.1414 118.1806 58.6842 28.8772 177.9199 841 A 4.1351 8.3931 122.5025 54.9341 18.4018 179.7842 842 V 3.5344 7.7168 116.4196 65.8655 31.4433 177.8256 843 L 3.8354 8.2039 119.9000 57.6946 42.2819 177.6575 844 Y 4.4827 7.6465 114.4417 56.5880 38.1630 175.3757 845 N 4.4470 8.3880 115.9558 54.9517 36.6152 174.3326 846 D 4.3924 8.4819 113.4283 55.0391 39.5108 174.0271 847 R 4.4374 7.9279 118.1719 55.4684 31.0922 176.5894 848 S 3.7605 8.7984 121.3276 59.1598 60.5748 174.5290 849 V 3.3985 7.5142 118.3279 66.8725 31.3423 176.3385 850 L 3.7405 9.1169 118.0372 57.8617 41.8270 179.3202 851 E 4.0197 8.1483 117.8525 59.6529 29.3448 179.1215 852 N 4.1062 8.3644 116.3614 56.6308 38.4601 176.8125 853 H 4.1254 7.4928 119.3751 59.5738 29.8163 176.8951 854 H 4.1896 8.3586 118.0207 58.8108 28.6343 177.5008 855 A 4.0298 7.9412 121.9081 55.2170 18.2220 179.5237 856 A 4.1268 8.4312 119.5646 55.6287 18.5564 180.0463 857 S 4.1766 8.4533 113.7306 61.6886 62.9017 176.9306 858 A 3.4538 8.0883 123.4526 54.8358 18.1806 179.8258 859 W 4.1336 8.2818 117.4975 59.6384 28.8499 178.4287 860 N 4.4775 8.4402 116.7968 56.5179 38.7563 176.2376 861 L 4.5290 8.0220 123.1394 57.8897 41.9443 178.1902 862 Y 3.9251 8.0167 117.9214 60.7404 38.6959 177.6875 863 L 4.2749 8.2892 117.8631 56.0069 42.0116 178.9929 864 S 4.2435 8.1327 116.3623 60.3829 62.9893 174.4227 865 R 4.7303 6.9405 115.6245 53.4465 33.6392 174.4689 866 P 4.1473 0.0000 0.0000 65.1874 31.9392 177.6543 867 E 4.2021 7.8216 115.5868 57.4053 29.8010 177.4332 868 Y 4.7205 7.1410 117.4844 59.6332 39.0734 175.1250 869 N 3.9854 7.1860 118.9883 53.9307 36.9077 173.7751 870 F 4.8668 8.1089 113.6498 56.3318 39.0461 176.9743 871 L 4.7086 7.6274 121.0118 54.5448 41.7840 178.0844 872 L 3.9068 8.0232 121.6856 59.0764 39.9905 177.2359 873 H 4.8971 8.0566 114.6193 55.6677 28.8251 174.2325 874 L 4.9532 7.6064 120.0158 52.7212 43.5598 177.1418 875 D 4.5364 8.4083 122.4844 53.4412 41.4728 177.0855 876 H 4.1319 8.7218 117.8029 59.3210 28.7137 178.1376 877 V 3.6126 7.7880 119.2823 66.0279 31.5807 177.6881 878 E 4.0302 8.9760 118.6466 59.5348 29.3689 179.0106 879 F 4.0432 8.4630 120.6748 61.1971 39.4153 176.8389 880 K 3.8441 8.2898 119.0970 59.7224 31.9292 178.6989 881 R 3.9227 7.9106 118.3954 59.2825 29.9511 178.0341 882 F 4.0496 8.6951 120.9017 61.4017 39.3429 177.0616 883 R 3.4891 7.7915 118.2429 59.0308 29.6012 178.1105 884 F 4.0470 7.8090 119.8892 61.3486 39.4619 176.8566 885 L 3.6958 8.2426 118.8427 57.9234 41.4869 179.7899 886 V 3.4393 7.5635 117.9549 65.9194 31.3743 178.1882 887 I 3.7197 7.6788 119.4234 64.4911 36.8711 178.0312 888 E 3.8016 7.9340 119.3760 59.3836 28.9836 179.5238 889 A 3.8468 7.6426 119.4014 55.1671 18.7222 179.4719 890 I 3.8049 7.6914 118.2464 64.6310 37.1074 178.7911 891 L 4.0216 8.4080 119.4357 57.1072 41.1765 178.9123 892 A 4.0249 7.4202 119.8384 53.8102 18.2415 177.8535 893 T 4.0884 7.5082 107.0811 61.5895 69.0848 174.1369 894 D 4.7800 7.7869 123.5157 53.3885 41.2685 177.0682 895 L 4.0326 8.7828 130.3418 58.2645 41.8780 180.3448 896 K 4.2969 8.6325 121.9035 57.3182 31.8377 182.1890 897 K 4.6809 8.2835 117.2464 55.1221 32.6503 182.3116 898 H 4.0698 8.8646 121.1430 60.8697 29.5573 177.3578 899 F 4.3170 8.0073 118.0996 59.9807 38.7203 177.4834 900 D 4.3612 8.1276 118.7393 57.1792 40.7117 178.3580 901 F 3.9259 8.0523 118.2318 60.4200 38.9229 177.1247 902 L 4.0351 7.9647 119.6871 58.3590 41.8110 178.8086 903 A 4.0389 8.2103 120.3353 55.3600 18.0694 179.2222 904 E 3.8961 8.4440 117.8962 59.3368 29.6498 178.7942 905 F 4.2887 9.1367 121.2672 61.4972 39.5186 176.9452 906 N 4.2120 8.6442 116.0797 56.1228 38.0897 177.2501 907 A 3.9958 7.9129 121.4013 54.4337 18.4128 179.1626 908 K 4.0673 7.1751 114.2962 58.4705 32.9167 178.5342 909 A 4.3139 7.4485 120.9510 52.8405 20.1714 178.0473 910 N 4.7417 7.4205 113.3106 52.0156 38.1863 175.2746 911 D 4.5861 7.3438 117.2951 52.1886 44.0024 175.8694 912 V 3.6817 8.5641 127.0316 65.3760 31.6408 176.1382 913 N 4.6471 8.6212 115.5427 53.6507 39.3415 174.9904 914 S 4.7197 7.8581 114.1585 56.9964 64.3917 171.9203 915 N 4.8257 8.4819 115.6063 53.3809 43.5568 174.8266 916 G 3.1879 8.3127 105.3530 44.6870 0.0000 176.1120 917 I 3.9581 8.3567 116.1170 61.6109 43.1083 173.7260 918 E 3.6075 7.8485 120.1501 56.2849 25.2714 174.9189 919 W 4.3522 8.0864 118.3049 58.3391 29.6252 177.1524 920 S 4.5458 8.0740 112.1826 58.4950 63.1756 173.5620 921 N 4.8804 8.2891 121.5368 51.8882 40.4143 174.4422 922 E 4.0136 8.8183 127.8129 59.7649 29.7658 178.8258 923 N 4.3593 8.3178 115.6454 56.6673 38.7056 176.8294 924 D 4.3547 8.3652 119.8502 57.6714 40.9620 179.2551 925 R 4.0665 8.2667 118.5316 59.0982 29.9479 178.9091 926 L 3.9876 8.2550 120.4688 58.0318 42.0655 178.6325 927 L 4.2184 8.0785 120.2783 58.3625 42.0225 178.9558 928 V 3.8106 7.9961 117.9952 66.5528 31.4643 177.7752 929 C 4.2274 8.2305 116.2513 62.8590 27.8389 176.2405 930 Q 3.8154 8.3422 119.9987 58.9526 28.2577 178.8813 931 V 3.2915 7.9441 119.5195 65.8361 31.4238 177.6528 932 C 3.7424 8.0546 118.6040 62.4131 31.3776 175.4653 933 I 3.6852 7.8010 120.2069 63.6771 37.1704 177.9496 934 K 3.7883 8.0132 119.8078 59.3396 31.5008 179.0165 935 L 3.8142 7.8996 120.4746 58.0175 41.7242 178.8833 936 A 3.9307 7.7292 119.8807 55.0218 18.3444 178.8276 937 D 4.4067 8.3059 116.5776 55.9735 41.2535 176.6079 938 I 4.6312 7.3389 113.2567 60.2507 38.1649 177.0103 939 N 4.2787 8.1068 120.1085 56.2136 37.0972 176.9157 940 G 3.7748 7.0220 105.9092 48.6994 0.0000 173.2315 941 P 4.1175 0.0000 0.0000 62.9460 31.7738 177.2060 942 A 4.5578 8.8255 121.7105 52.1247 19.2160 176.6407 943 K 4.7132 7.5903 117.6890 55.0412 34.7773 176.9825 944 V 3.7801 8.7170 119.9304 61.7612 32.9900 176.9998 945 R 3.9204 8.6062 119.7604 59.7071 29.4907 177.8460 946 D 4.3278 8.2325 117.3077 57.6521 40.9871 178.5978 947 L 3.8689 7.8024 118.3334 58.0349 41.7723 178.4324 948 H 4.3618 8.3756 118.2358 59.7911 29.6387 177.1018 949 L 4.0072 8.3861 120.8217 57.4943 41.2645 179.3725 950 K 3.5963 7.4820 119.1107 59.1222 32.0261 178.9443 951 W 4.5486 8.1397 119.1306 60.2146 29.0615 178.3478 952 T 3.6658 8.1255 115.8940 66.8402 67.9365 175.8189 953 E 3.9506 8.4585 121.2720 59.3049 29.5055 179.2806 954 G 3.5812 7.7150 105.5365 47.8204 0.0000 175.5988 955 I 2.8492 7.3230 122.7350 63.9027 37.0129 179.0107 956 V 2.9181 7.1969 112.8457 64.1630 31.0991 178.4058 957 N 4.3803 7.7870 116.2097 56.1336 38.2297 177.1360 958 E 3.9109 7.9265 120.7804 59.1884 29.6888 178.7365 959 F 4.4557 7.9498 118.1516 61.0992 38.9065 177.3428 960 Y 4.7565 8.2758 116.4356 61.1273 37.6916 178.6199 961 E 4.0198 8.0391 119.8815 59.4338 29.6082 179.0550 962 Q 3.9262 8.3103 119.7903 58.8494 28.9387 178.6151 963 G 3.8698 8.3781 108.6916 47.5025 0.0000 175.4860 964 D 4.3906 8.5308 121.9956 56.7868 40.6441 178.7414 965 E 3.9431 8.0358 119.5206 59.3682 29.7832 178.3210 966 E 4.0935 8.4270 118.4819 59.7162 29.4673 179.0508 967 A 3.9723 8.2992 120.5385 55.6083 18.2774 179.3757 968 N 3.7834 8.3421 113.8603 56.0415 38.7220 176.6419 969 L 4.4774 8.0661 118.3358 53.6712 42.0783 176.6222 970 G 3.9010 8.7910 107.9929 46.7612 0.0000 173.8516 971 L 4.7343 8.0658 118.3257 51.4424 44.3076 174.9871 972 P 4.3655 0.0000 0.0000 62.4472 31.7256 176.8240 973 I 4.0824 8.1969 124.4024 60.9916 37.9114 176.3751 974 S 4.3105 9.2930 121.6042 57.5192 63.3670 172.1362 975 P 4.1045 0.0000 0.0000 64.4702 31.3349 176.7421 976 F 3.9419 8.2186 118.8040 58.5868 36.7134 175.3699 977 M 4.6666 8.0430 119.4510 55.0591 32.7179 174.7827 978 D 4.8559 7.9311 120.5386 52.4548 41.3305 177.0509 979 R 3.0071 8.2595 124.5490 58.3680 29.6549 178.1914 980 S 4.1646 8.5132 113.5764 60.3303 63.8713 174.3807 981 S 4.6216 7.5794 113.5853 56.0289 61.8771 171.2250 982 P 4.6710 0.0000 0.0000 63.3665 32.8647 176.9883 983 Q 4.6876 8.4125 116.2763 53.2584 29.9590 176.3533 984 L 3.8769 8.5670 122.1049 58.6344 42.2899 177.4590 985 A 4.0347 8.0753 119.6037 55.1728 18.4246 179.2302 986 K 4.0124 8.2140 117.6712 59.5084 32.1810 178.4283 987 L 2.9344 8.5570 120.8054 58.0969 42.0099 179.0735 988 Q 3.6322 7.6937 118.0784 58.5245 28.3901 178.3840 989 E 4.0395 8.4423 120.7504 59.4461 29.7367 178.7766 990 S 4.1619 8.2540 113.3112 61.3202 62.3483 175.8147 991 F 4.1354 8.4044 123.5584 61.4565 39.0567 177.1848 992 I 3.4755 7.8572 119.3137 64.5274 36.6353 178.6031 993 T 3.7919 7.6961 115.3600 66.8464 68.4136 175.8400 994 H 4.7521 8.1112 115.7546 57.4371 29.4156 175.4229 995 I 3.9782 7.6178 119.4763 62.4193 38.8609 177.8418 996 V 3.4789 6.5334 117.9896 66.4821 31.7288 178.0433 997 G 3.6830 8.1980 105.6179 47.5794 0.0000 173.3638 998 P 4.3012 0.0000 0.0000 65.1253 31.0984 178.3015 999 L 3.8895 7.6964 119.7776 58.2941 42.0444 178.7018 1000 C 4.1247 8.3732 117.0376 62.8476 27.9354 176.0542 1001 N 4.3539 8.3539 117.9951 56.4411 38.3185 177.4729 1002 S 4.2555 8.1790 116.5314 61.9889 62.4871 176.2952 1003 Y 4.2007 8.3578 122.1708 60.7614 38.5240 177.5209 1004 D 4.3010 8.7343 119.2166 57.3855 41.1500 178.0979 1005 A 4.1516 8.6572 120.2462 54.7247 18.4337 178.5489 1006 A 4.2889 7.7779 116.5107 51.4882 19.2937 177.1836 1007 G 3.8097 8.1985 105.7442 46.9965 0.0000 174.5329 1008 L 4.4581 7.1176 115.5689 53.8561 43.0602 177.3025 1009 L 4.3263 7.4648 120.0437 53.2905 42.2974 174.7184 1010 P 4.3232 0.0000 0.0000 62.7354 31.8731 176.0553 1011 G 4.1395 8.0578 109.8789 45.8773 0.0000 171.5910 1012 Q 4.9665 8.6253 116.6966 54.3256 32.3774 175.1243 1013 W 4.8215 8.8930 121.2438 57.0637 29.9398 176.1068 1014 L 4.5515 8.8499 119.2524 55.7599 42.4843 176.4462 1015 E 4.8002 7.9961 115.9623 54.6481 32.3345 175.7167 1016 A 4.6630 8.2144 120.5419 50.6679 19.6113 176.4636 1017 E 4.1355 7.9579 125.5801 56.7109 30.3078 178.5909 *1053 S 4.5248 9.0696 110.6218 58.7627 63.7855 175.8200 1054 R 4.4933 7.9301 117.2033 56.5057 29.6108 178.0220 1055 R 4.8039 7.6066 117.0477 55.2429 33.4680 174.7306 1056 R 4.6270 8.4369 121.0343 55.7596 31.5199 175.5906 1057 I 5.1541 8.4282 115.4968 59.0514 41.3852 174.1192 1058 F 4.8683 9.6359 125.7728 56.5985 41.9852 173.6662 1059 C 4.4482 7.8918 126.3101 57.1054 32.3291 173.3685 1060 Q 3.4932 8.0899 129.0744 59.2328 28.4897 178.4533 1061 L 4.3047 7.2313 121.0346 58.1083 40.5495 178.6531 1062 M 3.9968 7.6514 118.9522 58.4674 32.2034 177.5540 1063 H 4.1014 8.0877 118.5836 59.6296 30.0495 176.8328 1064 H 4.2319 8.2732 118.0394 58.8243 28.4759 177.4023 1065 L 4.7705 7.9048 123.2294 58.1197 41.7472 179.0356 1066 T 3.9056 7.4278 113.6836 66.8917 68.3308 176.1171 1067 E 4.1104 8.2628 120.2525 59.4842 29.5951 179.1942 1068 N 4.3327 8.5192 116.8402 56.5103 38.7304 176.7146 1069 H 4.3873 8.5849 119.8311 59.5833 29.7143 177.3702 1070 K 4.0549 7.9209 119.9337 59.2607 31.6886 178.9775 1071 I 3.7435 7.3959 111.2772 62.3378 37.6237 177.0880 1072 W 5.0180 7.5236 118.8214 56.9326 29.8915 176.0513 1073 K 4.2888 7.7688 123.3854 56.6690 31.4966 176.6629 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 659 L 8.14 4.34 0.00 1.59 1.74 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 660 D 8.27 4.36 0.00 2.76 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 0.00 661 L 8.17 4.34 0.00 1.64 1.70 0.92 0.83 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 0.00 662 I 7.79 3.92 1.87 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 1.52 0.53 0.91 0.00 0.00 663 L 8.12 4.42 0.00 1.86 1.87 0.97 0.73 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 0.00 664 V 7.75 3.69 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 1.04 0.00 0.00 0.96 0.00 0.00 665 E 8.57 4.03 0.00 2.23 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 2.46 0.00 666 E 8.07 3.98 0.00 2.19 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 0.00 2.35 2.67 0.00 667 Y 7.97 3.96 0.00 3.09 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 0.00 668 D 8.31 4.24 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 669 S 8.33 4.02 0.00 3.93 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 0.00 670 L 7.86 3.83 0.00 1.81 1.36 0.78 0.71 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 0.00 671 I 7.13 3.39 1.52 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.07 0.84 0.00 0.00 672 E 8.11 4.08 0.00 2.13 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 2.33 2.37 0.00 673 K 8.06 4.05 0.00 2.01 2.12 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.70 7.81 674 M 8.12 3.77 0.00 1.62 1.79 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.00 675 S 7.74 4.58 0.00 4.09 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 0.00 676 N 7.56 5.07 0.00 2.86 2.90 0.00 0.00 6.89 8.98 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 0.00 677 W 9.07 3.82 0.00 2.56 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 0.00 678 N 7.93 4.53 0.00 2.84 2.81 0.00 0.00 6.83 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 0.00 679 F 7.90 4.27 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.39 0.00 2.13 2.14 0.00 4.00 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 681 I 6.46 2.43 1.15 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.03 0.17 0.00 0.00 682 F 7.54 3.91 0.00 2.98 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 0.00 683 E 8.05 3.93 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 684 L 7.68 3.89 0.00 1.67 1.74 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 685 V 7.33 3.49 2.20 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 0.85 0.00 0.00 0.79 0.00 0.00 686 E 7.79 4.08 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 687 K 8.11 3.88 0.00 1.71 1.99 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 688 M 8.57 4.22 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 689 G 8.64 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 0.00 690 E 9.04 4.03 0.00 1.96 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 2.31 2.33 0.00 691 K 8.22 4.43 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.36 7.81 692 S 8.08 4.05 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 693 G 8.06 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 0.00 694 R 7.80 5.25 0.00 1.83 1.88 0.00 3.29 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 695 I 7.70 3.63 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.85 0.00 0.00 696 L 8.05 3.90 0.00 1.61 1.69 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 697 S 8.89 3.99 0.00 4.00 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 0.00 698 Q 8.14 4.05 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 699 V 7.96 3.51 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 0.88 0.00 0.00 0.87 0.00 0.00 700 M 8.12 3.94 0.00 1.43 1.96 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.36 0.00 701 Y 8.39 4.34 0.00 3.22 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 0.00 702 T 8.02 3.88 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 0.87 0.00 0.00 703 L 7.98 3.57 0.00 1.51 1.18 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 704 F 8.74 3.87 0.00 3.08 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 0.00 705 Q 7.94 3.90 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.03 1.84 0.00 706 D 8.32 4.51 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 707 T 8.34 4.23 4.24 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 1.35 0.00 0.00 708 G 8.21 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 709 L 7.92 4.12 0.00 1.37 1.78 0.36 0.87 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 0.00 710 L 7.73 4.12 0.00 1.69 1.76 0.84 0.46 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 0.00 711 E 8.10 3.97 0.00 2.04 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 2.36 2.39 0.00 712 I 7.86 3.65 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.47 0.00 0.00 713 F 8.09 4.69 0.00 3.25 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 0.00 714 K 7.83 3.85 0.00 1.97 1.91 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.52 7.81 715 I 8.38 4.36 2.04 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.88 1.29 0.00 0.00 716 P 0.00 4.41 0.00 2.37 2.31 0.00 4.10 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 717 T 8.84 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 718 Q 8.09 3.96 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 719 Q 8.15 4.79 0.00 2.42 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 720 F 8.28 3.70 0.00 3.17 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 0.00 721 M 8.49 4.12 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.84 0.00 722 N 8.47 4.38 0.00 3.25 3.22 0.00 0.00 6.55 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 Y 8.21 3.22 0.00 2.91 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 724 F 7.32 3.38 0.00 2.70 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 0.00 725 R 7.83 4.10 0.00 1.94 1.96 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 726 A 7.32 4.02 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0.00 1.84 1.70 0.79 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 875 D 8.41 4.54 0.00 2.96 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 0.00 876 H 8.72 4.13 0.00 3.23 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 V 7.79 3.61 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 878 E 8.98 4.03 0.00 2.39 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 2.47 2.46 0.00 879 F 8.46 4.04 0.00 3.15 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 0.00 880 K 8.29 3.84 0.00 2.26 1.91 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 881 R 7.91 3.92 0.00 1.99 2.13 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 882 F 8.70 4.05 0.00 3.08 2.93 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.54 0.87 0.96 0.00 0.00 891 L 8.41 4.02 0.00 1.65 1.76 0.93 0.84 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 0.00 892 A 7.42 4.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 893 T 7.51 4.09 4.44 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 1.19 0.00 0.00 894 D 7.79 4.78 0.00 2.91 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 0.00 895 L 8.78 4.03 0.00 1.81 1.75 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 896 K 8.63 4.30 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.27 7.81 897 K 8.28 4.68 0.00 1.66 1.77 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.21 7.81 898 H 8.86 4.07 0.00 3.14 2.96 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 998 P 0.00 4.30 0.00 2.37 2.43 0.00 3.65 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 2.31 2.23 0.00 999 L 7.70 3.89 0.00 1.73 1.89 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1000 C 8.37 4.12 0.00 3.24 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 1001 N 8.35 4.35 0.00 2.92 2.90 0.00 0.00 6.99 7.18 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 1002 S 8.18 4.26 0.00 4.20 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 Y 8.36 4.20 0.00 3.02 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 1004 D 8.73 4.30 0.00 2.92 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 1005 A 8.66 4.15 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 1006 A 7.78 4.29 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 1007 G 8.20 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 L 7.12 4.46 0.00 0.43 1.36 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 1009 L 7.46 4.33 0.00 1.56 1.51 0.93 1.13 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 1010 P 0.00 4.32 0.00 2.04 1.97 0.00 3.40 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 1011 G 8.06 4.14 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 0.00 1012 Q 8.63 4.97 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 1013 W 8.89 4.82 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1014 L 8.85 4.55 0.00 1.86 1.77 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 1015 E 8.00 4.80 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 2.23 2.29 0.00 1016 A 8.21 4.66 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1017 E 7.96 4.14 0.00 1.75 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 2.03 2.13 0.00 *1053 S 9.07 4.52 0.00 3.70 3.75 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 1054 R 7.93 4.49 0.00 1.82 1.83 0.00 3.17 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 1055 R 7.61 4.80 0.00 1.50 1.66 0.00 3.15 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 1056 R 8.44 4.63 0.00 1.87 1.92 0.00 3.34 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 1057 I 8.43 5.15 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.70 0.00 0.00 1058 F 9.64 4.87 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 1059 C 7.89 4.45 0.00 2.74 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 1060 Q 8.09 3.49 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 1061 L 7.23 4.30 0.00 1.96 0.91 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 1062 M 7.65 4.00 0.00 2.09 1.96 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 2.63 2.78 0.00 1063 H 8.09 4.10 0.00 3.16 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1064 H 8.27 4.23 0.00 3.60 3.53 0.00 5.68 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 1065 L 7.90 4.77 0.00 1.95 1.84 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1066 T 7.43 3.91 4.39 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 1.22 0.00 0.00 1067 E 8.26 4.11 0.00 1.98 1.99 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 2.22 2.42 0.00 1068 N 8.52 4.33 0.00 2.99 3.00 0.00 0.00 6.66 9.02 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 1069 H 8.58 4.39 0.00 3.41 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1070 K 7.92 4.05 0.00 2.02 1.83 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 1071 I 7.40 3.74 1.45 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.36 0.74 0.00 0.00 1072 W 7.52 5.02 0.00 3.57 3.25 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 0.00 0.00 0.00 1073 K 7.77 4.29 0.00 1.89 1.77 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.76 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.