NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 683 L 4.3044 8.1849 120.7678 53.4545 43.3597 176.1660 684 I 4.0670 7.5773 119.6248 59.7506 38.0492 173.2043 685 P 4.2236 0.0000 0.0000 62.7078 32.9047 174.5436 686 P 4.1887 0.0000 0.0000 66.0383 31.3046 178.2415 687 L 3.9008 8.0573 118.1002 58.6691 41.8920 179.0574 688 I 3.8537 7.8318 119.3925 64.2445 36.9810 178.1798 689 N 4.4240 8.3780 117.8167 56.0211 38.3494 177.4111 690 L 4.0938 7.7750 121.2362 57.4024 41.6474 179.1453 691 L 4.0815 7.7523 117.3358 58.3927 41.3983 179.1719 692 M 4.2532 8.1051 117.7866 58.4812 32.0069 178.3150 693 S 4.3849 8.4039 114.5007 60.2508 63.0871 175.3307 694 I 4.4565 7.3706 114.9409 59.7191 37.9325 175.2013 695 E 4.1828 7.4494 120.4881 55.5869 29.7474 175.2698 696 P 4.6149 0.0000 0.0000 62.2172 32.5527 175.2669 697 D 4.6452 8.4175 120.2341 53.8307 41.6323 177.7048 698 V 3.6113 8.2487 118.3040 61.7462 31.9263 176.7248 699 I 4.4749 8.0452 124.1889 59.3570 38.8687 174.6376 700 Y 4.7134 8.2918 120.0043 56.3839 39.0149 176.1323 701 A 4.1851 9.2067 125.9831 52.4634 19.1558 178.8466 702 G 4.0794 8.6785 103.4641 46.3808 0.0000 173.6909 703 H 4.1964 7.7606 118.9945 56.0491 30.2148 174.9225 704 D 4.5878 8.3148 125.2270 53.1112 40.2005 175.1508 705 N 4.5932 8.5720 124.4912 54.2705 38.6444 176.5392 706 T 4.5370 7.7793 112.6887 60.5453 69.1105 179.6314 707 K 4.2759 7.6255 119.0005 53.8985 35.3658 176.0676 708 P 4.4212 0.0000 0.0000 62.1635 31.9150 175.3627 709 D 4.9394 8.3872 120.1782 52.9618 43.1260 176.0770 710 T 4.6137 7.9402 111.6287 59.5815 71.5733 175.5392 711 S 4.2303 8.7602 116.6005 62.1574 62.1949 176.8082 712 S 4.2539 8.0654 117.7387 60.1388 62.1342 176.1559 713 S 4.2015 8.0381 116.5360 60.7101 62.3532 175.7717 714 L 3.9229 7.7975 122.6954 57.9260 41.8991 178.7118 715 L 3.7767 7.6268 118.8451 58.2570 41.5183 179.7455 716 T 3.6264 7.4417 114.5385 66.4274 68.3791 176.5195 717 S 4.0862 7.5769 114.5618 60.8365 62.4123 175.8840 718 L 3.9908 7.5130 121.1504 57.0657 41.4253 178.7426 719 N 4.3809 8.1461 116.6454 55.5364 38.5264 177.6007 720 Q 3.9121 7.5849 120.0901 58.8656 28.9670 178.1627 721 L 4.1304 7.8528 121.1067 57.8237 41.9477 179.2921 722 G 3.5885 8.1733 105.8533 47.9003 0.0000 175.1026 723 E 3.6747 8.0920 122.5359 59.1404 29.5370 179.1409 724 R 4.0612 7.8983 117.3251 58.7722 30.2037 178.9535 725 Q 4.0251 8.1754 118.2052 58.7448 28.7890 178.0658 726 L 4.1241 8.7345 122.0567 58.1069 42.0347 179.1989 727 L 4.0478 7.6256 118.9336 57.7009 41.6568 179.4755 728 S 4.2241 8.0160 114.1772 61.3880 62.8492 176.7273 729 V 3.6972 8.2782 122.3805 65.7502 31.0296 178.2599 730 V 3.6544 7.5139 116.7350 65.8148 31.6504 177.5100 731 K 4.0848 8.0206 119.2353 59.2962 31.9639 178.1607 732 W 4.2684 8.3961 128.7640 60.8160 30.4972 178.0389 733 S 3.2104 8.2567 113.7397 61.0986 61.9321 176.4204 734 K 4.1832 7.8118 120.6313 58.2099 31.8801 178.2420 735 S 4.7495 7.6781 113.3751 56.8008 64.0007 173.6468 736 L 3.7960 6.8364 125.9702 53.3842 41.8488 174.1685 737 P 4.3646 0.0000 0.0000 64.7540 31.9629 174.9353 738 G 4.2281 9.1478 111.1325 45.7593 0.0000 175.0472 739 F 4.0439 8.2587 121.5367 61.1432 39.3323 177.3242 740 R 3.9222 8.0641 114.4143 58.3960 29.1270 176.8246 741 N 4.5290 7.7374 114.7626 54.2687 39.0398 175.5291 742 L 4.2038 7.3895 118.4678 53.9111 42.6246 176.8696 743 H 4.0792 8.9859 120.6520 56.3885 31.6939 176.2934 744 I 3.6239 8.2168 127.5778 65.0151 36.8826 178.3777 745 D 4.3657 8.2658 118.8941 57.4034 40.6178 178.4010 746 D 4.2076 7.8681 118.9849 57.1876 40.8637 178.5186 747 Q 3.6937 7.8227 118.5107 59.0320 28.7808 178.8436 748 I 3.7544 7.5228 120.0563 64.8659 37.1528 178.5901 749 T 3.5946 7.9783 116.4423 66.6338 68.2702 176.7164 750 L 4.0239 8.1018 120.9645 57.8677 41.6845 179.6248 751 I 4.0317 8.1816 119.6599 64.0424 36.8393 178.1761 752 Q 4.5093 7.9950 118.1583 58.4607 28.7420 177.5376 753 Y 4.6379 8.2361 117.7781 60.1554 38.3215 177.0249 754 S 4.6673 8.1242 112.7832 57.5743 63.5580 175.6489 755 W 4.3679 7.9212 120.7653 60.4608 27.6776 177.4386 756 M 3.5032 6.5145 119.0563 58.2417 31.3369 178.1480 757 S 4.0693 7.7958 114.2601 61.5048 62.9144 176.6303 758 L 3.9868 7.8770 121.5558 58.0573 41.3862 179.4952 759 M 4.1715 8.4192 118.9828 58.5354 32.0093 179.3085 760 V 3.6825 8.0315 119.3151 64.7900 31.3457 178.1747 761 F 4.3804 8.5158 121.5900 61.0271 39.2184 177.4769 762 G 3.8331 8.5997 105.8001 47.5393 0.0000 175.5578 763 L 4.0551 8.2298 122.9438 58.0015 41.9762 179.2772 764 G 3.2080 8.0445 105.7052 47.1721 0.0000 175.4926 765 W 4.2662 8.0113 130.5379 60.3912 30.5706 178.5641 766 R 3.7483 8.0373 116.7018 58.9910 29.6001 179.1210 767 S 4.3151 7.9264 115.0928 61.5584 63.0942 175.8179 768 Y 4.2031 7.7594 121.6262 60.7289 38.4366 177.8542 769 K 3.3599 7.3387 118.0686 58.7337 32.4371 176.0538 770 H 4.5397 7.4929 112.9194 57.0950 30.7188 175.3409 771 V 4.0613 7.5096 110.9126 62.0012 31.5542 178.1370 772 S 3.5866 8.9733 113.9327 58.9373 61.3680 172.4577 773 G 3.9528 8.2168 107.5294 46.8734 0.0000 174.2684 774 Q 5.0754 8.2475 115.2726 55.5771 30.2573 175.3133 775 M 4.6452 7.7235 116.0593 53.5777 36.7418 174.9432 776 L 3.9314 8.5677 121.9484 54.7855 42.3765 175.6120 777 Y 4.6427 8.5705 128.4689 56.3278 36.9300 175.9228 778 F 4.1120 8.7524 121.7530 59.7647 39.8580 175.5530 779 A 4.5140 7.2667 120.0636 50.7553 21.4056 175.1225 780 P 4.2180 0.0000 0.0000 64.1181 31.4571 177.4142 781 D 5.0038 7.8131 116.2654 52.4779 39.3595 176.8177 782 L 4.5277 7.6924 121.2495 54.8442 44.3819 171.5198 783 I 5.2231 7.7600 120.7705 58.0285 39.6651 175.2571 784 L 4.4022 8.5300 129.1147 53.4638 42.2541 177.0412 785 N 4.8710 8.4700 121.8941 51.6200 38.9150 175.6858 786 E 3.8179 8.5633 117.3008 59.7952 29.4220 179.5962 787 Q 3.9087 8.0210 118.6214 58.8219 28.9356 177.7026 788 R 3.9695 8.1282 118.9405 58.7977 30.4599 177.7846 789 M 4.1567 7.9416 121.2484 58.3690 31.8155 179.2363 790 K 3.3625 7.2287 119.2801 57.4023 30.7562 180.5017 791 E 4.3599 7.9038 117.0196 56.2241 29.8625 178.3029 792 S 3.9741 7.3098 114.8351 59.7312 62.7566 175.5452 793 S 4.4199 9.2548 110.4457 57.8344 61.5272 169.2529 794 F 4.9475 8.0194 112.3242 54.7510 38.3407 175.4047 795 Y 4.1228 8.4102 125.3288 61.8664 38.2392 177.5876 796 S 4.0086 8.0762 114.6591 61.4769 63.2212 176.1931 797 L 3.9523 8.0304 124.6008 57.6237 41.5986 178.4975 798 C 4.3052 7.4043 114.7400 61.8862 28.2274 175.7272 799 L 4.2545 7.4412 120.9706 57.8670 41.4806 178.9478 800 T 4.7580 7.7622 116.3891 66.5395 68.4378 176.3357 801 M 4.1060 8.1874 120.4039 57.9688 30.6732 177.8746 802 W 4.5761 7.9483 125.6295 58.5642 30.7359 177.5682 803 Q 4.1777 7.8376 117.8428 59.1117 28.1428 178.3258 804 I 3.4814 7.1988 120.5243 63.7248 36.9831 176.5563 805 P 4.0945 0.0000 0.0000 65.2467 30.8058 178.3581 806 Q 3.8002 7.2250 117.7034 58.6095 28.6390 178.0722 807 E 4.0089 7.7169 118.7620 58.6119 29.4128 179.1177 808 F 4.2793 7.6478 118.1798 60.0234 38.8431 177.9894 809 V 3.4524 6.9680 116.9578 65.3074 31.3259 177.2716 810 K 3.9996 7.8229 119.4530 59.4697 32.1469 177.9371 811 L 4.0535 7.7701 118.9700 55.8174 42.1286 177.5297 812 Q 3.9013 7.7323 115.6182 54.2310 25.8031 179.8454 813 V 3.8145 7.4595 118.0829 63.8213 32.4281 175.9566 814 S 4.8394 9.1975 122.0183 57.4016 65.7083 175.3597 815 Q 3.5900 8.6881 122.6665 59.3307 28.7235 177.9807 816 E 3.9725 8.2256 119.1487 59.5699 29.4471 179.1213 817 E 4.0000 8.0398 118.7451 59.2568 29.4375 178.7058 818 F 4.1339 8.2304 120.8646 61.3789 39.1614 176.8668 819 L 3.5499 8.0918 118.3876 58.1753 41.5310 179.6566 820 C 4.2085 7.8028 116.3944 63.0898 28.0502 176.0988 821 M 3.9422 8.2140 120.5399 58.1097 31.6280 178.6594 822 K 3.5594 7.9638 120.0248 59.3857 32.0503 179.0269 823 V 3.6166 7.2250 117.4591 65.9629 31.7289 177.7688 824 L 4.1338 7.7454 118.7280 57.6369 41.2871 179.5014 825 L 3.9608 7.8421 119.2747 57.4707 41.3100 179.0373 826 L 4.4616 7.6785 120.0498 56.3086 41.9688 177.2780 827 L 5.0251 7.3769 116.9498 54.7935 42.5290 176.4650 828 N 4.7411 8.1126 116.5971 54.2745 39.2685 174.3718 829 T 5.2112 7.7479 113.6004 62.8228 72.4549 172.9397 830 I 4.8436 8.5399 118.8637 58.0640 41.8089 173.0425 831 P 4.7894 0.0000 0.0000 62.4341 31.9275 178.0275 832 L 3.9368 8.6550 122.4888 57.9517 41.6902 178.1761 833 E 4.1619 8.1604 113.5512 55.8937 29.6581 177.2027 834 G 3.7826 7.8395 109.0352 45.3171 0.0000 172.8925 835 L 4.5797 8.5720 118.3763 52.7155 43.7143 177.7402 836 R 3.9609 8.7620 119.6556 59.6772 30.6026 179.5102 837 S 4.6289 9.0621 115.5808 57.7944 61.3065 175.6525 838 Q 3.9960 7.8840 124.8889 59.8249 29.1888 177.1483 839 T 3.9096 7.8778 116.0705 66.7900 68.5669 176.2634 840 Q 4.0205 8.1387 119.2411 59.2023 28.8196 178.9901 841 F 4.1162 8.6252 121.7388 61.3115 39.1536 176.7503 842 E 3.8647 8.7398 119.2125 59.1887 29.3152 178.6388 843 E 4.0132 8.0946 118.7207 59.0593 29.6765 178.6537 844 M 4.0054 8.2226 118.5836 58.6643 32.3090 178.3290 845 R 3.8974 7.7259 118.8136 59.4995 30.1983 178.4616 846 S 4.1366 7.6476 114.6896 61.9680 62.8993 177.0428 847 S 4.1083 8.0970 117.6732 61.6353 62.2915 176.2661 848 Y 4.0681 7.7442 118.7097 60.5121 37.9167 177.9533 849 I 3.9975 8.1170 121.2733 64.6142 37.1672 178.6598 850 R 3.9837 8.0421 118.7353 59.0488 29.8786 178.5199 851 E 4.1323 8.0125 118.4108 58.4292 29.6073 178.3571 852 L 4.0761 8.0225 120.8394 58.0528 42.0972 178.8290 853 I 3.8335 7.8047 119.5072 64.2657 36.8412 178.3671 854 K 3.9808 7.5043 117.0146 59.3390 31.9775 178.9041 855 A 4.1613 7.8617 120.6332 55.2646 18.2370 179.7961 856 I 3.9798 7.8962 118.5761 64.2346 37.0499 178.5742 857 G 3.7540 8.0427 105.2206 46.7910 0.0000 174.9177 858 L 4.3328 7.3975 118.5328 56.4869 41.8298 177.1649 859 R 4.5483 8.2769 115.9898 57.1083 34.5915 175.2929 860 Q 4.0274 8.4566 119.1387 56.1453 29.8719 177.1827 *862 G 4.0790 8.6373 112.2132 44.3469 0.0000 173.4823 863 V 4.4034 7.6868 108.1706 60.6856 36.3668 176.7063 864 V 4.1816 7.7685 118.7477 63.4578 32.3290 178.0754 865 S 4.2241 7.9922 114.1366 60.0982 62.8207 176.2831 866 S 4.3029 7.8717 118.1087 61.2870 63.3420 175.9980 867 S 4.3670 8.1832 116.9728 60.3410 62.2507 175.6588 868 Q 4.3592 7.8202 123.1116 60.0174 28.5728 183.1275 869 R 5.0018 7.7037 119.7650 57.8422 29.9809 178.0724 870 F 4.2258 8.2298 120.0066 61.0355 39.2812 176.3508 871 Y 3.9517 7.9723 119.9226 60.3461 38.8143 176.9984 872 Q 3.9964 8.2659 118.0074 59.5702 28.4174 178.6349 873 L 3.9252 7.6795 121.0545 57.3986 41.6022 179.3729 874 T 3.4878 6.9680 107.9769 63.1882 68.6249 176.3425 875 K 3.9046 7.5698 123.2251 58.7586 32.2226 178.3559 876 L 3.9391 7.7142 120.8518 58.1910 41.8680 178.9261 877 L 3.9659 7.3872 117.3726 57.8731 41.3236 178.9998 878 D 4.6241 7.8886 118.7317 57.6066 40.6750 178.6524 879 N 4.4466 8.5058 116.9809 56.0236 38.3947 177.3728 880 L 3.9955 7.9499 120.6383 57.9184 41.7085 179.0429 881 H 4.0369 7.8532 115.6440 59.2323 28.4653 177.4854 882 D 4.3938 7.6988 119.2113 57.0903 40.8018 178.2840 883 L 4.0728 7.8102 120.5678 58.1065 42.1093 179.0604 884 V 3.4475 8.1071 118.6761 65.6614 31.3333 177.9362 885 K 3.9517 7.8323 119.0858 59.2554 31.4100 178.6646 886 Q 3.9795 7.7189 120.2230 59.1786 28.9321 178.1678 887 L 4.0887 7.7247 119.5516 57.8155 41.6948 178.9936 888 H 4.2167 8.4801 116.7046 58.8757 28.6615 177.3432 889 L 3.9896 7.7623 121.7101 58.5405 41.8116 178.4785 890 Y 3.9284 7.8580 118.4570 60.6359 38.6592 177.3005 891 C 4.3350 8.5729 120.0048 62.6787 31.6646 175.4093 892 L 4.0307 8.5619 122.1275 58.3172 41.8030 178.6799 893 N 4.3389 8.4283 116.6119 56.6161 37.9716 177.6226 894 T 3.9184 8.1125 117.3776 66.3574 68.2804 176.7072 895 F 3.3933 8.2406 122.4558 61.1349 39.4383 177.0967 896 I 3.7236 8.0495 118.8207 63.2416 36.9935 177.3832 897 Q 4.5168 7.6071 117.2020 55.6196 28.9105 177.3293 898 S 4.2135 7.3092 118.5802 62.1874 62.9741 176.7867 899 R 3.8781 7.9813 119.2934 59.4301 29.6721 178.7661 900 A 3.9866 7.8289 118.4166 55.3021 18.6242 179.1841 901 L 4.0421 8.1480 115.3611 55.0895 42.6436 177.0627 902 S 3.6857 7.7004 114.0021 59.8748 60.5717 172.5531 903 V 4.2687 8.0321 118.6484 60.8504 33.5823 174.0179 904 E 4.3673 8.4871 128.5307 55.0384 30.3497 175.1419 905 F 4.5361 8.6217 124.6140 54.8469 40.9890 174.1904 906 P 4.5529 0.0000 0.0000 62.1710 33.4158 175.9057 907 E 3.8453 8.9019 117.6419 61.0075 29.1627 178.6656 908 M 4.0492 8.1349 117.3644 58.6084 32.1787 178.6645 909 M 3.7003 8.3675 118.8891 58.4384 32.1157 179.0196 910 S 4.0383 8.3115 117.7723 62.1439 63.0497 177.2541 911 E 4.0158 7.9520 120.6839 61.1106 28.9974 181.8116 912 V 3.9167 7.6982 112.9988 63.9832 31.5335 178.9342 913 I 3.7398 7.3394 119.4371 64.4041 36.7659 178.2171 914 A 3.9692 7.4473 119.8015 55.1608 18.1946 179.1695 915 A 4.2098 7.7860 118.3362 54.6863 18.8396 178.3401 916 Q 4.5765 8.0652 111.9057 54.7868 32.4777 177.1018 917 L 3.9141 8.2186 118.8900 57.3874 41.5767 177.3876 918 P 4.2139 0.0000 0.0000 65.5827 31.3285 178.3069 919 K 3.8181 8.0839 117.6560 59.6553 31.9985 178.4754 920 I 3.4746 8.3344 120.1753 64.5058 36.8493 178.4484 921 L 3.9544 7.7566 118.0054 57.7370 41.5101 179.2921 922 A 4.1561 7.9636 119.8803 53.2835 18.2104 178.3971 923 G 3.8040 7.9018 104.8701 46.3814 0.0000 173.6110 924 M 4.4370 7.5815 117.5993 54.6018 32.0929 175.8644 925 V 4.3806 7.2075 109.6047 60.2336 36.9802 175.2151 926 K 4.3698 8.9358 123.6762 54.1423 33.2085 173.6594 927 P 4.7144 0.0000 0.0000 62.3175 32.4513 175.8630 928 L 4.6137 8.5197 122.4619 53.0053 43.3492 176.1739 929 L 5.3500 8.1090 122.8194 52.1859 44.2710 176.6349 930 F 4.3791 8.6664 119.6540 58.7566 39.2506 176.4781 931 H 4.9248 7.7472 119.5573 54.0084 29.6078 173.9997 932 K 4.1765 8.3498 123.5656 54.6303 31.4774 177.0571 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 683 L 8.18 4.30 0.00 1.68 1.64 0.92 0.55 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 0.00 684 I 7.58 4.07 1.88 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 1.43 0.62 0.93 0.00 0.00 685 P 0.00 4.22 0.00 2.27 2.00 0.00 3.64 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 2.12 2.13 0.00 686 P 0.00 4.19 0.00 2.13 2.12 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 687 L 8.06 3.90 0.00 1.69 1.90 0.89 0.66 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 0.00 688 I 7.83 3.85 2.07 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 1.56 1.20 0.94 0.00 0.00 689 N 8.38 4.42 0.00 2.98 2.88 0.00 0.00 6.94 7.08 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 0.00 690 L 7.77 4.09 0.00 1.94 1.74 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 691 L 7.75 4.08 0.00 1.84 1.85 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 692 M 8.11 4.25 0.00 2.34 2.09 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 2.64 2.63 0.00 693 S 8.40 4.38 0.00 4.14 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 0.00 694 I 7.37 4.46 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.98 0.94 0.00 0.00 695 E 7.45 4.18 0.00 2.26 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 2.66 2.43 0.00 696 P 0.00 4.61 0.00 2.21 2.14 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 697 D 8.42 4.65 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.61 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 699 I 8.05 4.47 1.89 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 1.44 1.14 0.96 0.00 0.00 700 Y 8.29 4.71 0.00 3.00 2.84 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 0.00 701 A 9.21 4.19 1.33 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 0.00 0.00 702 G 8.68 4.08 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 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0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 869 R 7.70 5.00 0.00 2.10 2.01 0.00 3.26 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 870 F 8.23 4.23 0.00 3.18 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 0.00 871 Y 7.97 3.95 0.00 3.15 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 0.00 872 Q 8.27 4.00 0.00 2.35 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 873 L 7.68 3.93 0.00 1.63 1.63 0.91 0.42 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 0.00 874 T 6.97 3.49 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 -0.12 0.00 0.00 875 K 7.57 3.90 0.00 1.58 1.89 0.00 1.48 0.00 0.00 1.21 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.43 7.81 876 L 7.71 3.94 0.00 1.94 1.85 1.18 0.75 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 0.00 877 L 7.39 3.97 0.00 1.68 1.77 0.74 1.27 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 0.00 878 D 7.89 4.62 0.00 2.87 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 0.00 879 N 8.51 4.45 0.00 2.87 2.87 0.00 0.00 7.05 6.99 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 0.00 880 L 7.95 4.00 0.00 1.75 1.66 0.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 881 H 7.85 4.04 0.00 3.35 3.34 0.00 5.81 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 0.00 882 D 7.70 4.39 0.00 2.58 2.73 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 0.00 883 L 7.81 4.07 0.00 1.69 1.78 0.97 0.87 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 0.00 884 V 8.11 3.45 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 0.61 0.00 0.00 0.84 0.00 0.00 885 K 7.83 3.95 0.00 2.01 1.96 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 886 Q 7.72 3.98 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 887 L 7.72 4.09 0.00 1.75 1.67 0.87 1.11 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 0.00 888 H 8.48 4.22 0.00 3.31 3.28 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 0.00 889 L 7.76 3.99 0.00 1.77 1.75 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 890 Y 7.86 3.93 0.00 3.15 3.09 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 0.00 0.00 0.00 891 C 8.57 4.33 0.00 3.31 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 L 8.56 4.03 0.00 1.78 1.82 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 893 N 8.43 4.34 0.00 2.71 2.74 0.00 0.00 7.05 6.84 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 0.00 894 T 8.11 3.92 4.62 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 1.39 0.00 0.00 895 F 8.24 3.39 0.00 2.57 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 0.00 896 I 8.05 3.72 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.93 0.86 0.00 0.00 897 Q 7.61 4.52 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 898 S 7.31 4.21 0.00 3.69 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 0.00 899 R 7.98 3.88 0.00 1.81 1.96 0.00 3.08 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 900 A 7.83 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 L 8.15 4.04 0.00 1.70 1.76 0.91 1.08 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 0.00 902 S 7.70 3.69 0.00 4.05 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 0.00 903 V 8.03 4.27 2.18 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 0.54 0.00 0.00 0.97 0.00 0.00 904 E 8.49 4.37 0.00 1.97 1.77 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 2.30 2.29 0.00 905 F 8.62 4.54 0.00 3.20 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 0.00 906 P 0.00 4.55 0.00 2.34 2.00 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 907 E 8.90 3.85 0.00 2.04 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 2.39 2.45 0.00 908 M 8.13 4.05 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 909 M 8.37 3.70 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 910 S 8.31 4.04 0.00 4.14 4.08 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 0.00 911 E 7.95 4.02 0.00 2.01 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 2.24 2.22 0.00 912 V 7.70 3.92 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 0.70 0.00 0.00 0.33 0.00 0.00 913 I 7.34 3.74 0.95 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 0.33 0.00 0.00 914 A 7.45 3.97 1.33 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 0.00 0.00 915 A 7.79 4.21 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 916 Q 8.07 4.58 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 917 L 8.22 3.91 0.00 1.80 1.70 0.85 1.03 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 0.00 918 P 0.00 4.21 0.00 2.16 2.11 0.00 3.62 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 2.17 0.00 919 K 8.08 3.82 0.00 1.82 1.99 0.00 1.96 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.53 7.81 920 I 8.33 3.47 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.75 0.00 0.00 921 L 7.76 3.95 0.00 1.60 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 922 A 7.96 4.16 1.35 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 0.00 0.00 0.00 923 G 7.90 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 0.00 0.00 0.00 924 M 7.58 4.44 0.00 2.01 2.04 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 2.57 2.62 0.00 925 V 7.21 4.38 1.70 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 0.10 0.00 0.00 0.69 0.00 0.00 926 K 8.94 4.37 0.00 1.74 1.78 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.34 7.81 927 P 0.00 4.71 0.00 1.80 1.80 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 928 L 8.52 4.61 0.00 1.40 1.37 1.14 1.19 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 0.00 929 L 8.11 5.35 0.00 1.50 1.71 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 930 F 8.67 4.38 0.00 2.55 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 0.00 931 H 7.75 4.92 0.00 3.10 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 K 8.35 4.18 0.00 1.77 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.