NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 696 G 3.9375 8.3549 109.7367 44.9632 0.0000 175.8490 697 E 4.3948 9.2222 117.9047 53.5070 32.5736 174.1572 698 A 4.1700 8.5014 128.1036 50.6706 20.0633 174.9063 699 P 4.0774 0.0000 0.0000 63.2365 31.2051 176.0453 700 N 4.5469 8.6598 122.9109 52.9099 37.7980 173.5216 701 Q 4.4512 8.3388 123.9037 55.3134 29.1704 176.1024 702 A 3.9312 7.9060 120.6771 52.7667 18.6659 177.9265 703 L 4.2712 8.3374 122.4330 53.6856 42.6281 176.0081 704 L 4.4004 8.3754 125.7892 53.5091 43.0998 175.1141 705 R 4.4804 8.4048 126.7841 55.3292 31.8758 174.6580 706 I 4.7747 8.4069 127.1968 60.0692 38.6678 174.8000 707 L 4.9808 9.3900 128.9902 52.6119 43.8817 176.7449 708 K 4.1453 9.6616 124.0786 56.2255 32.5630 177.9836 709 E 3.5670 8.6966 123.8991 58.8569 29.8079 178.0495 710 T 3.9274 7.6586 108.3710 64.0965 68.9164 175.6956 711 E 4.3460 8.1612 121.2806 57.3376 29.6944 175.8660 712 F 5.1363 6.9780 112.5047 55.6851 41.1915 173.6405 713 K 4.5262 8.3748 119.9656 55.6801 34.1702 176.6049 714 K 4.5334 8.6786 123.2148 57.1468 32.4132 176.7221 715 I 4.5957 7.8390 118.0337 60.4939 42.3967 175.4971 716 K 4.5733 7.5600 124.7389 55.8819 34.2127 173.8149 717 V 4.1170 8.3479 124.7618 62.9723 32.1905 175.5132 718 L 4.5514 8.0965 123.8040 55.5438 44.2565 177.3226 719 S 4.2757 7.3172 110.0889 57.6339 64.6800 173.5790 720 S 5.1592 8.2131 124.5375 57.3330 66.7841 174.9564 721 G 3.7164 7.9627 109.9246 45.7884 0.0000 178.0250 722 A 2.8068 8.5303 126.7379 52.4593 18.4206 177.5371 723 F 4.9893 9.7823 115.6191 55.6161 40.8394 174.1896 724 G 4.4026 6.9836 108.0886 43.9233 0.0000 173.5186 725 T 4.2599 7.4376 116.2429 63.2176 70.0081 174.2130 726 V 4.6869 8.1670 123.1105 61.5100 34.8993 174.1630 727 Y 5.1724 8.6043 124.9288 56.0370 40.9711 175.2326 728 K 4.5099 8.9414 123.2514 56.7034 33.5006 175.8753 729 G 4.1257 8.2673 109.1083 45.9892 0.0000 172.2241 730 L 5.3628 8.5345 120.1728 52.6324 45.1150 175.7444 731 W 5.3087 8.6589 130.5334 56.0729 33.9911 173.9468 732 I 4.3851 9.2865 129.3195 57.8124 37.5713 174.0906 733 P 4.1770 0.0000 0.0000 61.0096 28.8450 174.5135 734 E 3.6431 8.2587 122.6136 58.4618 29.9155 178.3063 735 G 3.9302 8.9875 109.2545 46.0899 0.0000 173.7130 736 E 4.4435 7.3903 116.9070 54.0505 32.2455 175.8615 737 K 3.7627 8.0276 116.4908 57.0283 30.4446 175.3000 738 V 4.5176 6.7848 111.7654 60.7746 36.7291 175.3665 739 K 4.5711 8.7138 124.8473 55.3432 34.5331 176.2014 740 I 4.8694 8.1085 123.4527 59.0238 40.9232 172.9717 741 P 4.7251 0.0000 0.0000 62.8164 32.5220 176.2490 742 V 4.8954 9.2364 116.5909 59.6874 36.5826 174.2299 743 A 5.1771 8.9292 123.9602 50.5610 22.3939 176.4108 744 I 5.3781 8.1981 119.2193 58.4516 40.9639 174.7337 745 K 4.6224 8.5912 130.0069 55.6916 33.3360 174.7132 746 E 5.1260 8.6690 129.5874 54.2373 31.7033 175.0387 747 L 4.4118 8.2488 128.3862 54.7796 43.1756 176.4641 748 R 3.7691 8.3994 121.7338 55.9487 30.4380 176.0018 749 E 4.0080 9.2030 122.8143 59.6268 29.5619 177.0262 750 A 4.2352 7.8693 122.2390 53.2116 16.8579 177.2471 751 T 4.4766 7.7929 124.7158 62.4505 69.3200 175.9711 752 S 4.2537 7.8893 115.8253 58.2672 64.0436 173.9671 753 P 4.2759 0.0000 0.0000 65.4345 30.8448 178.7430 754 K 3.9081 8.2118 117.2319 58.8271 32.0723 177.5615 755 A 4.3982 7.7937 119.9531 54.2527 19.7279 178.5486 756 N 4.1868 8.2248 114.4704 56.5213 38.4926 177.1526 757 K 3.8583 7.6333 119.7160 59.7870 32.1913 178.7807 758 E 3.9753 8.4013 119.1109 59.2441 29.3326 179.0453 759 I 3.8737 7.6781 118.0688 63.5326 38.1996 177.6467 760 L 4.1263 7.8139 119.8191 57.2999 41.4282 178.8972 761 D 4.3347 8.1756 119.1258 57.7708 40.7454 178.0428 762 E 3.9698 8.0016 118.2076 59.7878 29.4758 179.1609 763 A 3.9945 8.1722 120.0655 55.6913 18.2664 178.7954 764 Y 3.9378 8.1672 116.5312 60.9712 38.9272 178.4568 765 V 3.5655 7.9853 118.6896 66.3179 31.7273 177.5758 766 M 3.4833 8.6787 118.1598 58.6030 31.7536 177.8900 767 A 4.1850 8.2144 120.1247 54.0124 18.6270 178.6108 768 S 4.4003 8.4847 112.5536 57.6192 63.7171 174.2666 769 V 4.5117 6.6430 114.4723 59.9984 33.8788 175.7488 770 D 4.3781 8.1643 120.6796 53.7683 42.2748 173.5439 771 N 4.5944 7.8968 122.5119 51.0083 41.8724 173.5073 772 P 4.3107 0.0000 0.0000 65.2641 32.0478 175.6797 773 H 5.1305 7.9723 116.0210 54.5960 29.9163 173.8196 774 V 4.7060 8.0610 118.3618 61.8238 34.6401 173.3362 775 C 4.2350 9.1366 127.2101 60.4363 28.2828 173.5026 776 R 4.5847 8.4704 124.6654 54.7374 31.3474 175.5821 777 L 4.1654 8.5392 127.7219 54.9518 42.7272 176.9120 778 L 4.1819 8.7420 126.9743 56.1729 42.4774 177.2469 779 G 4.0425 6.8322 105.5204 46.1981 0.0000 171.2207 780 I 5.1315 8.1458 113.4168 59.0432 41.7667 173.8659 781 C 5.2446 8.5416 120.7332 56.7802 34.7335 174.0272 782 L 4.7155 8.7034 124.5877 55.1984 41.0226 178.4206 783 T 3.3492 6.5320 104.6658 63.6024 70.2571 173.0128 784 S 4.7397 7.8277 117.3910 58.2208 70.0800 175.0880 785 T 4.5160 7.1967 113.2984 59.4746 68.9159 173.9233 786 V 3.9664 8.2222 127.8173 63.1217 33.2436 174.3720 787 Q 4.9094 8.9217 127.0597 54.1221 31.0782 174.7692 788 L 4.4437 8.7407 125.6157 54.4282 43.0925 176.1557 789 I 4.5638 8.4300 125.6251 59.9591 39.2252 174.7959 790 T 4.8779 8.2833 121.5453 59.3625 71.0448 172.7309 791 Q 4.3512 8.4935 125.1787 55.8032 29.7084 175.4503 792 L 3.9824 8.2505 129.0148 55.6777 42.8348 177.0799 793 M 4.5049 8.5521 126.7396 52.8875 31.5181 174.6049 794 P 4.1339 0.0000 0.0000 65.4859 31.7832 178.1528 795 F 4.2123 7.6185 113.2230 57.9026 39.1602 176.9547 796 G 3.8567 8.2970 111.7366 45.1526 0.0000 172.7866 797 C 4.6957 8.1795 113.2586 57.4279 32.1972 174.0947 798 L 3.7004 8.7907 124.5130 58.2928 41.6341 178.6655 799 L 3.9255 8.0222 119.5960 58.6708 41.9765 178.2448 800 D 4.4501 8.2108 117.6996 57.8529 40.8545 178.6719 801 Y 3.9427 7.9553 119.5446 60.9546 38.4018 178.5000 802 V 3.8620 8.1805 113.3019 64.1042 31.4157 178.8912 803 R 4.1465 7.8841 117.5931 59.0918 30.0388 178.0659 804 E 4.2960 7.8428 116.5479 57.4250 29.9966 176.4290 805 H 4.8064 7.3444 115.1187 56.6862 29.5756 177.1443 806 K 5.0544 7.2812 121.1006 58.6947 31.7514 176.4446 807 D 4.7850 8.5295 116.5789 54.2033 42.1004 176.5197 808 N 4.8513 8.1706 114.7265 52.7885 39.2237 174.0277 809 I 4.1943 7.8287 120.3007 60.1771 37.8867 176.4060 810 G 4.1132 8.4001 112.7683 43.1632 0.0000 173.8444 811 S 4.1133 8.6249 115.5422 61.3701 62.9703 176.1872 812 Q 3.7708 8.1365 122.7263 59.2949 28.5438 178.4620 813 Y 3.1032 7.5351 116.6150 60.6228 38.1142 177.7204 814 L 3.5801 7.0882 119.3108 57.9079 41.7901 179.8208 815 L 4.0094 8.2889 118.8828 57.6882 41.4263 179.4181 816 N 4.2372 7.6805 116.1524 56.0961 38.4665 177.5116 817 W 4.4551 7.7936 120.3361 59.7833 29.0997 178.2238 818 C 3.7981 7.9432 116.7025 62.7867 27.5046 176.2432 819 V 3.6390 7.5513 119.4151 66.3870 31.0872 178.1519 820 Q 3.8824 8.4083 118.0297 58.8088 28.4974 178.7934 821 I 3.7513 8.4169 121.1881 64.1500 37.1451 178.1204 822 A 3.8520 8.3170 121.6961 55.1577 18.2002 179.5685 823 K 3.9244 8.5856 117.2983 59.6341 32.1785 179.3133 824 G 3.9148 8.4053 106.0980 48.6404 0.0000 175.4699 825 M 3.9176 8.3254 121.8240 57.4897 31.6497 178.4335 826 N 4.3306 8.3786 117.7724 56.9449 39.0847 175.7120 827 Y 4.0435 8.0416 120.6804 61.1949 38.6933 178.0562 828 L 3.9422 8.2543 119.3107 58.1093 41.7693 179.0810 829 E 3.7922 8.3566 118.7725 59.4193 29.3234 178.3562 830 D 4.3834 7.8934 118.0350 57.4405 41.3226 179.7130 831 R 4.0789 7.7986 116.5423 58.8437 31.3701 176.9563 832 R 3.7596 7.8764 113.9771 57.7358 28.4450 176.2543 833 L 5.0283 8.1290 117.9489 52.8837 45.0995 176.7415 834 V 4.6347 9.0129 122.1352 61.5924 33.7346 175.7022 835 H 4.3440 9.6981 127.0446 58.7832 30.1571 176.8337 836 R 4.2374 8.8884 114.8202 56.7695 27.5552 175.5361 837 D 4.6523 7.7713 113.0665 53.6848 42.8259 176.0162 838 L 3.9008 8.4996 120.2404 54.8466 42.8956 175.5600 839 A 4.7861 8.5555 124.3168 51.9063 21.8833 176.4933 840 A 4.1501 8.9533 124.7768 55.3746 18.5729 180.4987 841 R 4.0180 7.9866 110.7621 58.5744 30.0231 176.8774 842 N 4.8258 8.6396 115.6956 52.7207 40.1461 174.0140 843 V 4.6443 7.7028 119.7840 61.1256 34.1174 174.8993 844 L 5.0110 8.6573 126.8348 52.9351 45.3153 175.2220 845 V 4.4628 8.0758 119.3505 61.5136 33.1467 176.0258 846 K 3.9067 9.3440 130.7283 58.8498 32.6313 176.5907 847 T 4.6528 7.3898 106.5592 58.4643 71.8483 172.4923 848 P 4.0136 0.0000 0.0000 65.0742 31.2229 177.2694 849 Q 4.9155 8.0418 115.0142 55.7275 28.9467 175.4499 850 H 4.8172 8.4149 120.1099 56.2209 32.0011 172.1055 851 V 4.8193 9.2252 119.1363 59.5986 33.8651 175.7798 852 K 4.7835 8.9618 121.8253 54.7051 36.5529 175.6820 853 I 4.2822 8.2178 124.0362 61.5815 38.6185 175.3106 854 T 4.2427 7.6835 119.4561 62.1728 70.7286 171.3405 855 D 4.1004 8.5608 121.8566 55.0606 37.3738 173.0463 856 F 4.6237 8.2334 119.2735 56.7978 39.5294 177.9563 857 G 3.9210 8.1258 109.5716 47.6139 0.0000 173.8588 858 L 4.7783 8.1051 116.2953 53.8216 44.3950 176.3640 859 A 4.7048 8.0613 121.0132 52.3500 19.5957 176.7891 860 K 4.5730 8.7414 116.4188 55.1745 36.9033 175.9654 861 L 4.6707 8.3855 122.8555 53.7868 43.0979 176.3552 862 L 4.1474 8.4396 125.3283 57.1670 42.1417 176.7510 863 G 3.9582 9.0384 114.9207 45.3805 0.0000 172.9104 864 A 4.3209 7.2108 121.6271 51.7541 19.3291 176.0059 865 E 4.8429 8.2971 117.6544 54.7626 33.3816 175.0243 866 E 4.3012 8.5211 119.0469 57.0738 31.1706 176.7003 *876 V 3.8233 8.5787 117.7984 60.6570 32.6740 173.9572 877 P 4.6782 0.0000 0.0000 61.4630 30.3560 176.8619 878 I 3.7912 8.1843 128.2617 64.9755 37.4735 178.2298 879 K 4.2079 8.3727 116.5789 57.4887 31.9900 177.2196 880 W 4.7985 8.3236 117.9730 56.5534 29.7517 175.2422 881 M 4.3757 7.7604 118.6396 53.2193 32.8665 176.4461 882 A 2.0000 7.7523 124.2064 51.1915 20.3822 178.7436 883 L 3.5143 7.0179 121.0969 58.4049 42.3676 178.6478 884 E 3.7749 8.0076 117.8726 59.4330 29.2723 179.6569 885 S 3.7742 7.3783 116.1014 60.9862 62.7978 176.4406 886 I 3.6418 6.9763 121.0835 63.9564 37.0050 177.8520 887 L 4.4956 7.7275 116.9607 55.7042 41.9631 177.6806 888 H 4.6763 7.8669 112.2788 55.5438 31.6546 172.9650 889 R 4.0040 7.9756 116.2981 56.8563 28.1044 176.1369 890 I 4.0691 7.5035 119.0537 61.3609 37.5951 175.1826 891 Y 4.3773 8.3546 121.5348 56.6165 39.4693 174.6899 892 T 4.5101 7.9639 119.6183 60.3492 69.6890 175.1025 893 H 4.3613 8.7505 120.2765 59.2452 27.0705 177.8048 894 Q 4.0533 8.4314 119.2468 58.0697 28.1158 178.5226 895 S 4.6059 8.1842 115.8775 61.1648 63.1861 176.1801 896 D 4.7257 8.5544 122.9725 57.1304 40.4759 178.6503 897 V 3.4494 7.4030 118.6728 65.6436 31.3830 177.6215 898 W 4.5851 8.0969 126.7662 61.1464 30.5658 178.1761 899 S 4.6948 8.7032 114.3948 61.6677 62.2984 175.4873 900 Y 4.3028 8.8669 123.0489 60.9849 38.4366 178.3898 901 G 3.7701 8.7178 106.4213 48.2207 0.0000 175.5812 902 V 3.9517 8.6136 121.1131 66.0639 31.3965 178.2706 903 T 4.3009 8.6286 115.9923 66.3802 68.2539 176.9245 904 V 3.4476 8.3546 120.6612 65.7220 31.6115 177.6109 905 W 4.2104 8.6088 128.3017 60.7536 30.4916 177.3782 906 E 4.1574 8.8586 118.5277 59.7297 28.9867 179.5443 907 L 3.9007 7.7515 118.1460 58.2391 41.6155 179.4258 908 M 4.0508 8.1832 117.8499 57.7388 32.1188 177.7784 909 T 4.3876 7.4770 109.0747 60.9484 69.8049 174.6503 910 F 3.8490 9.0681 117.6266 59.2778 37.1900 176.0763 911 G 3.9526 8.6782 105.3541 46.0546 0.0000 174.9389 912 S 4.4371 7.5018 114.6471 57.9373 63.4929 173.8915 913 K 4.6145 8.4649 121.5568 54.0590 32.8337 175.2601 914 P 3.2527 0.0000 0.0000 63.7956 30.2404 175.7026 915 Y 3.4833 7.4035 118.5554 58.1367 35.4537 169.6342 916 D 4.3710 8.1754 116.9922 56.1949 41.2044 174.4525 917 G 3.9191 7.7346 117.9338 45.5097 0.0000 173.3858 918 I 3.4867 7.3128 126.3022 58.8016 35.6740 174.1133 919 P 4.3573 0.0000 0.0000 62.2086 32.1659 177.7113 920 A 3.9090 8.7916 124.4874 55.4427 18.2636 180.2146 921 S 3.7821 8.1527 110.7249 61.5784 62.8319 175.8348 922 E 4.1928 7.9837 120.8255 57.9862 29.4245 178.4263 923 I 3.4069 8.2233 121.5221 64.3290 36.8902 178.2594 924 S 4.0327 7.9274 113.3506 61.1033 62.9172 176.1440 925 S 4.2378 8.0099 116.9474 61.0504 62.2894 175.5541 926 I 3.6208 7.6574 121.7811 64.8828 36.8980 177.9562 927 L 4.1195 7.9579 119.2184 58.0327 41.2924 179.0101 928 E 4.1839 7.7428 116.7194 57.8863 29.7734 177.9840 929 K 4.2829 8.0010 117.3980 57.2793 32.2929 177.4955 930 G 4.1564 7.6469 107.7617 45.3574 0.0000 172.6951 931 E 4.5060 8.0090 119.5061 54.4528 30.8318 175.1668 932 R 4.6441 8.0986 123.4537 54.0698 34.0366 174.7287 933 L 3.8998 7.4446 118.0148 53.7535 42.1001 175.5809 934 P 4.4728 0.0000 0.0000 62.2336 31.9870 175.9761 935 Q 2.8111 8.0323 120.6359 55.7462 29.2702 175.1220 936 P 4.3212 0.0000 0.0000 61.5500 31.9453 175.5712 937 P 4.4588 0.0000 0.0000 65.0254 31.2275 176.7626 938 I 4.1893 7.6187 111.0792 60.9437 38.5355 174.6382 939 C 4.7126 8.2629 121.0427 58.6748 28.5107 173.7757 940 T 4.0506 8.2708 115.7529 61.4650 69.0994 174.9449 941 I 3.7148 8.5884 122.5307 64.8975 37.6146 177.6892 942 D 4.3208 8.0494 118.1365 57.1869 41.0706 178.4378 943 V 3.5960 7.5462 118.1914 66.3230 31.6543 177.4148 944 Y 4.2750 8.2591 119.2280 60.8277 38.4526 178.0012 945 M 3.7463 8.3515 119.5393 58.6717 32.1862 178.2755 946 I 3.4910 7.2202 118.4553 64.3438 37.4607 177.9731 947 M 3.6447 7.6690 119.0346 58.3618 31.8303 178.9207 948 V 3.1254 6.7954 117.8545 65.5080 31.4840 178.1247 949 K 3.8651 7.7553 118.3162 59.1597 31.5916 178.2962 950 C 4.3064 7.1807 114.8788 60.4710 28.1323 174.0646 951 W 3.5808 6.9644 119.2729 55.7820 29.2886 175.6716 952 M 4.1713 7.7884 118.3150 55.8117 32.0977 176.1934 953 I 3.8898 8.3529 125.8867 64.4415 37.8191 176.0587 954 D 4.2965 8.0809 122.3906 54.5466 41.0331 176.7121 955 A 4.2778 8.6144 130.0420 54.2851 18.8447 178.0072 956 D 4.6419 8.1382 113.7899 55.3812 41.2962 177.2998 957 S 4.3934 7.7486 114.8417 59.5913 63.3778 175.0053 958 R 4.5087 7.4735 119.0143 54.9088 30.2911 174.5481 959 P 4.5934 0.0000 0.0000 62.0684 32.7921 176.2233 960 K 4.2213 9.2154 118.7903 55.2757 34.4438 178.1347 961 F 4.2539 8.4534 121.2015 60.9677 38.5767 178.4021 962 R 3.9733 7.9960 115.2547 59.3542 29.3073 178.6736 963 E 3.9741 8.0743 118.8507 58.8177 29.6425 178.7622 964 L 4.0020 8.2628 119.5790 57.9557 41.6083 179.4568 965 I 3.7824 8.0073 119.6033 64.6484 37.0890 178.3528 966 I 3.6840 7.3648 120.0900 64.4736 36.9060 178.0829 967 E 3.7933 8.2965 119.3363 59.7263 29.3216 179.5289 968 F 3.9916 7.8493 116.9041 60.5607 38.7539 177.7550 969 S 4.0840 8.2713 111.9823 61.3519 62.6383 175.7089 970 K 3.9860 8.5250 121.5400 60.2385 31.8548 179.1270 971 M 3.8009 8.1059 118.4720 57.9099 31.6150 178.0271 972 A 4.2993 8.0954 118.7644 53.4404 18.6156 179.0158 973 R 4.1545 7.7245 116.5014 57.6859 31.8197 176.5757 974 D 4.8108 8.3333 117.9678 52.1327 41.8174 173.6253 975 P 4.3935 0.0000 0.0000 65.8783 32.0288 178.9487 976 Q 4.4055 7.8889 113.5094 56.8775 28.6833 176.7399 977 R 3.9561 7.6058 117.7340 57.4292 30.4206 176.0759 978 Y 4.9232 8.0021 113.2390 57.9864 41.1426 175.3930 979 L 5.0442 8.0038 117.8413 52.8009 45.9984 176.0664 980 V 4.4279 8.5785 123.0442 61.3127 32.3435 174.2137 981 I 4.4813 8.0114 127.4672 58.7158 39.4144 175.8692 982 Q 3.8786 8.8117 124.0855 57.2101 28.3676 176.6575 983 G 3.8838 8.8352 113.0172 46.1464 0.0000 174.6237 984 D 4.3496 7.7779 118.9105 57.0999 41.6652 177.4691 985 E 4.0891 8.0861 119.5213 58.4136 29.7404 177.6385 986 R 4.4462 7.5489 114.8108 56.2581 29.6891 175.8913 987 M 4.6311 7.7673 120.2244 55.4576 34.0052 175.9652 *988 H 4.7492 8.2845 115.4387 53.8248 31.9091 174.7511 989 L 4.4573 8.2018 124.4490 52.9933 43.4604 176.4595 *1002 M 4.4510 8.3023 116.4357 54.5616 34.0788 175.6611 1003 D 4.2319 7.8974 123.1648 56.6397 42.7071 176.8552 1004 E 4.0247 8.9169 114.1117 55.2523 28.9938 173.4480 1005 E 3.4995 8.3576 114.0235 59.1571 28.2271 173.6177 1006 D 4.1656 8.4091 122.4398 53.8926 40.9296 176.8559 1007 M 3.3846 8.6837 119.6007 55.3868 30.3753 177.5876 1008 D 4.4687 8.2626 118.8997 56.8000 41.3737 176.6127 1009 D 4.8928 7.8165 115.9431 53.7407 42.5932 176.3382 1010 V 4.2082 7.7023 120.0759 63.0561 31.9330 175.3983 1011 V 4.5624 8.4860 127.3743 60.9578 34.8076 174.6831 1012 D 4.5687 8.6812 125.1953 53.6174 42.1027 177.1344 1013 A 4.2187 8.5665 127.0172 55.2295 18.6254 179.3306 1014 D 4.5111 8.4852 114.5871 56.3350 40.8661 176.8406 1015 E 4.5156 8.3453 117.3738 55.8517 30.1393 175.0811 1016 Y 4.6095 8.1151 121.2616 55.7572 39.0762 174.7599 1017 L 4.5194 7.8369 126.3056 52.6823 45.2791 176.2119 1018 I 4.2667 7.7693 122.8576 57.9765 40.0701 173.4034 1019 P 4.3840 0.0000 0.0000 63.3538 30.7809 176.0357 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 696 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 697 E 9.22 4.39 0.00 2.01 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 2.20 2.32 0.00 698 A 8.50 4.17 1.23 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 0.00 0.00 0.00 699 P 0.00 4.08 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 700 N 8.66 4.55 0.00 2.71 2.84 0.00 0.00 7.20 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 0.00 701 Q 8.34 4.45 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 702 A 7.91 3.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 703 L 8.34 4.27 0.00 1.64 1.62 0.92 0.95 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 0.00 704 L 8.38 4.40 0.00 1.55 1.57 0.91 0.96 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 0.00 705 R 8.40 4.48 0.00 1.96 1.78 0.00 3.45 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 706 I 8.41 4.77 1.91 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 1.37 1.01 0.94 0.00 0.00 707 L 9.39 4.98 0.00 1.61 1.79 0.14 0.76 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 0.00 708 K 9.66 4.15 0.00 2.04 1.72 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.40 7.81 709 E 8.70 3.57 0.00 1.85 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 2.05 2.22 0.00 710 T 7.66 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 711 E 8.16 4.35 0.00 2.52 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 2.43 2.34 0.00 712 F 6.98 5.14 0.00 3.35 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 713 K 8.37 4.53 0.00 1.93 2.00 0.00 1.35 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.59 7.81 714 K 8.68 4.53 0.00 1.50 1.52 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.96 1.37 7.81 715 I 7.84 4.60 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.41 0.93 0.00 0.00 716 K 7.56 4.57 0.00 1.85 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.21 7.81 717 V 8.35 4.12 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 0.78 0.00 0.00 0.99 0.00 0.00 718 L 8.10 4.55 0.00 1.72 1.60 0.92 1.07 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 0.00 719 S 7.32 4.28 0.00 3.72 3.57 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 0.00 0.00 0.00 0.00 720 S 8.21 5.16 0.00 3.87 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 0.00 721 G 7.96 3.72 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 0.00 722 A 8.53 2.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 F 9.78 4.99 0.00 2.99 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 0.00 724 G 6.98 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.26 3.72 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 0.42 0.00 0.00 726 V 8.17 4.69 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 1.01 0.00 0.00 0.87 0.00 0.00 727 Y 8.60 5.17 0.00 3.01 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 0.00 728 K 8.94 4.51 0.00 1.78 1.89 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 729 G 8.27 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 730 L 8.53 5.36 0.00 1.65 1.61 0.98 0.89 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 0.00 731 W 8.66 5.31 0.00 3.15 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 0.00 732 I 9.29 4.39 1.78 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 0.83 0.92 0.80 0.00 0.00 733 P 0.00 4.18 0.00 1.85 0.89 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.00 734 E 8.26 3.64 0.00 2.08 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 2.34 2.38 0.00 735 G 8.99 3.93 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 0.00 0.00 0.00 736 E 7.39 4.44 0.00 2.08 1.92 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 2.24 2.21 0.00 737 K 8.03 3.76 0.00 1.96 1.87 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.40 7.81 738 V 6.78 4.52 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 0.82 0.00 0.00 0.59 0.00 0.00 739 K 8.71 4.57 0.00 1.67 1.67 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.35 7.81 740 I 8.11 4.87 2.02 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.04 0.00 0.00 741 P 0.00 4.73 0.00 2.08 1.98 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 742 V 9.24 4.90 2.06 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 0.99 0.00 0.00 0.79 0.00 0.00 743 A 8.93 5.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 744 I 8.20 5.38 1.99 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.83 0.96 0.00 0.00 745 K 8.59 4.62 0.00 1.82 1.70 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.43 7.81 746 E 8.67 5.13 0.00 2.25 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 2.31 2.31 0.00 747 L 8.25 4.41 0.00 1.84 1.57 0.95 0.97 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 0.00 748 R 8.40 3.77 0.00 1.88 1.90 0.00 3.39 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 749 E 9.20 4.01 0.00 1.97 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 2.32 0.00 750 A 7.87 4.24 1.27 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 0.00 0.00 0.00 751 T 7.79 4.48 4.25 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 1.33 0.00 0.00 752 S 7.89 4.25 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 753 P 0.00 4.28 0.00 2.17 2.13 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 2.14 0.00 754 K 8.21 3.91 0.00 1.71 1.85 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.57 7.81 755 A 7.79 4.40 1.37 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 0.00 0.00 756 N 8.22 4.19 0.00 2.74 2.92 0.00 0.00 6.71 6.95 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 0.00 757 K 7.63 3.86 0.00 1.87 1.78 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.60 7.81 758 E 8.40 3.98 0.00 1.98 1.92 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 2.28 2.49 0.00 759 I 7.68 3.87 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 1.65 1.37 0.96 0.00 0.00 760 L 7.81 4.13 0.00 1.92 1.72 0.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 761 D 8.18 4.33 0.00 2.94 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 0.00 762 E 8.00 3.97 0.00 2.23 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 0.00 2.39 2.40 0.00 763 A 8.17 3.99 1.44 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 0.00 0.00 0.00 764 Y 8.17 3.94 0.00 2.92 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 0.00 765 V 7.99 3.57 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 0.45 0.00 0.00 1.05 0.00 0.00 766 M 8.68 3.48 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.73 0.00 767 A 8.21 4.18 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 0.00 768 S 8.48 4.40 0.00 3.60 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 0.00 769 V 6.64 4.51 2.19 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 0.50 0.00 0.00 0.84 0.00 0.00 770 D 8.16 4.38 0.00 2.55 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 0.00 771 N 7.90 4.59 0.00 1.44 2.08 0.00 0.00 7.07 7.71 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 0.00 772 P 0.00 4.31 0.00 1.79 2.01 0.00 3.54 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 773 H 7.97 5.13 0.00 3.07 3.20 0.00 5.63 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 V 8.06 4.71 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 0.85 0.00 0.00 0.99 0.00 0.00 775 C 9.14 4.24 0.00 3.11 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 0.00 776 R 8.47 4.58 0.00 1.79 1.80 0.00 3.29 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 777 L 8.54 4.17 0.00 1.50 1.58 0.97 1.00 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 0.00 778 L 8.74 4.18 0.00 1.48 1.34 0.92 1.33 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 0.00 779 G 6.83 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 780 I 8.15 5.13 1.96 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 1.11 0.94 0.88 0.00 0.00 781 C 8.54 5.24 0.00 3.13 2.85 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 0.00 782 L 8.70 4.72 0.00 1.68 1.68 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 783 T 6.53 3.35 4.25 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 1.31 0.00 0.00 784 S 7.83 4.74 0.00 3.97 3.96 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 0.00 785 T 7.20 4.52 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 1.32 0.00 0.00 786 V 8.22 3.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 787 Q 8.92 4.91 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 788 L 8.74 4.44 0.00 1.82 1.57 0.93 0.55 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 0.00 789 I 8.43 4.56 1.59 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.20 0.32 0.00 0.00 790 T 8.28 4.88 4.21 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 1.61 0.00 0.00 0.00 0.00 0.00 0.00 965 I 8.01 3.78 2.10 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 1.56 0.86 0.94 0.00 0.00 966 I 7.36 3.68 1.94 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 1.53 0.97 0.89 0.00 0.00 967 E 8.30 3.79 0.00 1.68 1.67 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 0.00 2.33 2.33 0.00 968 F 7.85 3.99 0.00 3.34 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 0.00 969 S 8.27 4.08 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 970 K 8.53 3.99 0.00 1.92 1.76 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 971 M 8.11 3.80 0.00 1.73 2.06 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.81 0.00 972 A 8.10 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 973 R 7.72 4.15 0.00 2.15 2.04 0.00 3.15 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 974 D 8.33 4.81 0.00 2.73 2.63 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 0.00 975 P 0.00 4.39 0.00 2.22 2.09 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 2.22 2.29 0.00 976 Q 7.89 4.41 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 977 R 7.61 3.96 0.00 1.46 1.25 0.00 3.00 0.00 0.00 2.88 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.22 0.00 978 Y 8.00 4.92 0.00 3.05 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 0.00 979 L 8.00 5.04 0.00 1.59 1.55 0.94 0.87 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 0.00 980 V 8.58 4.43 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 0.77 0.00 0.00 0.93 0.00 0.00 981 I 8.01 4.48 2.08 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 1.60 0.86 1.00 0.00 0.00 982 Q 8.81 3.88 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 983 G 8.84 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 0.00 984 D 7.78 4.35 0.00 3.02 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 0.00 985 E 8.09 4.09 0.00 2.11 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 0.00 2.28 2.26 0.00 986 R 7.55 4.45 0.00 1.97 2.06 0.00 3.04 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 987 M 7.77 4.63 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 *988 H 8.28 4.75 0.00 2.89 2.78 0.00 7.19 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 989 L 8.20 4.46 0.00 1.18 1.53 0.52 0.95 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 *1002 M 8.30 4.45 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 1003 D 7.90 4.23 0.00 2.72 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1004 E 8.92 4.02 0.00 2.13 2.14 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 2.08 1.86 0.00 1005 E 8.36 3.50 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 1006 D 8.41 4.17 0.00 2.60 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1007 M 8.68 3.38 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 1008 D 8.26 4.47 0.00 3.10 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 1009 D 7.82 4.89 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 V 7.70 4.21 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 0.73 0.00 0.00 0.94 0.00 0.00 1011 V 8.49 4.56 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 0.85 0.00 0.00 0.98 0.00 0.00 1012 D 8.68 4.57 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1013 A 8.57 4.22 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 1014 D 8.49 4.51 0.00 2.80 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 1015 E 8.35 4.52 0.00 2.09 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 2.25 2.26 0.00 1016 Y 8.12 4.61 0.00 2.91 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 1017 L 7.84 4.52 0.00 1.49 1.40 0.89 0.83 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 1018 I 7.77 4.27 1.70 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 0.77 0.88 0.00 0.00 1019 P 0.00 4.38 0.00 2.19 2.02 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.