NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 801 M 4.3971 8.3049 120.3486 55.3015 34.5307 176.0555 802 S 4.5235 7.8054 111.6795 57.1085 62.6361 173.6000 803 D 4.7561 8.5967 120.1520 52.7215 43.2118 175.0723 804 N 5.0903 8.3033 120.6390 50.9594 42.3089 173.6612 805 E 4.2915 8.3756 118.7249 55.3761 30.4740 176.3371 806 D 4.5214 8.7199 124.1058 56.0650 40.0844 175.2297 807 N 4.2937 7.2990 120.7199 52.1794 40.8202 174.9260 808 F 5.1332 8.8866 114.0630 56.7608 40.7132 175.5129 809 D 4.8223 7.9483 119.6238 53.9582 42.8043 175.1146 810 G 3.8582 8.2718 111.6746 47.0974 0.0000 170.4811 811 D 4.6611 7.3566 113.8235 52.8215 41.8197 174.4417 812 D 5.0894 8.5879 116.0305 54.4970 41.3601 176.2527 813 F 5.1488 8.7304 118.0761 58.2557 39.9174 173.5024 814 D 4.8623 8.1646 115.5258 53.8969 41.7983 175.9301 815 D 4.8030 7.9750 114.5778 54.1401 42.4629 175.8716 816 V 4.4284 7.3855 109.4505 58.6895 31.6581 175.7191 817 E 4.5028 7.7787 117.3488 56.3101 31.6833 175.5219 818 E 4.2832 8.1924 119.8171 55.5378 28.9792 175.4472 819 D 4.9746 8.4842 123.8951 52.3462 43.9783 176.8613 820 E 4.8074 8.5233 120.9521 54.7968 30.2688 175.2861 821 G 4.2768 7.2603 123.0560 44.3649 0.0000 171.3822 822 L 4.3066 7.6143 129.6511 54.0917 49.5785 173.5538 823 D 4.9140 7.9863 121.9884 54.2624 43.7371 176.7611 824 D 4.5669 7.7297 115.8136 53.3409 39.8242 176.0547 825 L 4.7011 7.7594 117.5998 54.2888 41.4338 176.6315 826 E 4.4113 7.8168 120.8655 56.1056 28.6239 175.2595 827 N 4.0583 8.2599 123.8076 52.9316 36.2763 176.4529 828 A 4.0436 7.4403 122.9387 53.8575 18.5786 178.5742 829 E 4.3416 7.3105 110.3564 52.0340 33.5631 176.1947 830 E 3.7188 8.3226 119.0086 57.0144 29.0432 173.7729 831 E 4.1906 7.7204 117.4586 55.2547 30.2658 176.1331 832 G 3.9083 7.6459 112.9747 47.3831 0.0000 172.4780 833 Q 4.6253 8.4086 113.3905 55.2555 29.9911 171.5240 834 E 4.7636 8.4589 121.5596 54.6538 32.0090 173.9914 835 N 4.8014 9.0698 126.1167 53.8204 39.7813 174.4407 836 V 5.2985 8.7004 122.7956 59.2090 34.0283 174.9326 837 E 4.7928 8.5720 126.1597 54.8631 32.7197 173.7956 838 I 4.9235 7.8963 119.4189 60.0589 41.4355 174.8353 839 L 4.4893 8.5154 123.0377 53.0970 46.7867 172.5271 840 P 4.6679 0.0000 0.0000 62.8393 31.8660 176.0998 841 S 3.8864 7.7420 117.4653 58.0486 63.7130 175.5405 842 G 4.2260 8.0103 106.8317 45.5421 0.0000 173.7331 843 E 4.2310 9.3558 126.7612 55.3461 29.1737 179.0874 844 R 3.8023 7.7927 119.7284 56.8674 31.0797 174.9679 845 P 4.9315 0.0000 0.0000 61.3874 29.2945 174.1582 846 Q 4.4544 7.3936 122.1690 57.4043 34.9440 173.6215 847 A 4.3922 7.8067 119.1490 51.8121 18.7762 175.8450 848 N 4.0617 8.0584 118.9258 55.8321 38.1560 173.8706 849 Q 4.3772 7.3996 125.7157 55.4817 31.4048 175.1991 850 K 4.5876 7.1476 115.5552 57.6055 33.6039 172.9280 851 R 4.3644 7.9179 128.6152 56.6249 32.8319 174.9498 852 I 4.5814 7.6334 108.4784 60.9666 41.5464 174.2321 853 T 3.9491 8.2297 110.7824 61.9868 68.0545 173.7360 854 T 3.9140 8.5362 123.2089 63.5127 69.2789 173.4188 855 P 3.9519 0.0000 0.0000 60.8231 29.5434 175.1314 856 Y 4.9965 6.8713 125.1130 57.1791 42.2253 172.1413 857 M 4.4812 8.2731 127.2741 56.1529 33.3923 175.1131 858 T 4.8490 8.6910 112.4778 60.2631 71.3709 176.4363 859 K 4.5314 8.4065 124.6103 59.5736 33.8700 177.6398 860 Y 4.5635 8.3585 120.2739 60.7846 38.8110 177.3010 861 E 3.4042 8.1498 119.5908 59.7518 29.5226 179.6866 862 R 3.8801 7.8768 117.4841 59.0069 30.0704 177.9129 863 A 4.0462 8.9751 121.4178 54.1610 18.1178 179.1516 864 R 4.0929 8.7666 118.5987 58.7215 30.0415 178.3071 865 V 3.5381 7.6913 118.2959 65.9326 31.4531 177.4507 866 L 4.0681 8.6795 120.4204 58.3377 41.7527 179.5511 867 G 3.5582 7.7879 105.2767 48.0709 0.0000 175.5115 868 T 4.0541 9.0904 115.8153 63.5007 67.0420 176.4906 869 R 3.8842 9.6028 120.6588 59.5258 30.3907 177.8010 870 A 3.9504 8.5591 121.8072 55.1273 18.0847 179.2845 871 L 4.1207 7.7201 117.7559 58.3860 41.0848 178.9731 872 Q 3.9652 7.9070 120.2600 58.8451 29.1245 178.2474 873 I 3.9486 9.0022 114.7853 63.5739 37.6541 177.7877 874 A 4.7309 7.6773 122.6827 54.0265 18.1383 178.7341 875 M 4.1936 7.5041 116.6596 57.4352 32.6794 176.1630 876 C 4.5849 8.9593 112.4106 58.3010 30.7030 175.0590 877 A 5.3846 8.1033 135.0000 51.9083 19.8217 175.9812 878 P 4.2894 0.0000 0.0000 64.3380 31.5997 177.5285 879 V 3.7462 7.5100 118.2568 63.8502 31.4518 175.0409 880 M 4.7094 8.1290 116.6308 54.9806 31.7570 176.3642 881 V 4.2413 7.1380 108.8124 60.9797 34.8839 176.2389 882 E 4.5479 7.5460 119.9354 54.4215 28.9072 176.5795 883 L 4.7525 7.7574 121.6495 58.2827 40.7649 179.1843 884 E 4.5823 7.9622 113.5844 55.4627 31.7793 175.0738 885 G 3.9461 7.6029 106.0567 46.3393 0.0000 173.2983 886 E 4.7702 7.6190 119.1652 55.3089 33.0763 175.3605 887 T 5.0325 8.1988 108.9366 62.9774 69.7772 172.8320 888 D 4.6551 8.2254 120.8504 54.5780 41.4012 175.1047 889 P 4.3500 0.0000 0.0000 64.2914 31.5635 176.2353 890 L 4.7141 9.0041 122.4910 53.9604 42.4400 175.4659 891 L 3.7392 7.9542 122.6214 58.7208 41.6994 178.8670 892 I 3.9928 7.6634 118.7920 64.3977 36.8859 178.1586 893 A 3.4712 7.8781 120.7023 54.6647 17.9516 178.9012 894 M 4.0134 8.7303 118.4020 58.1229 32.4902 177.7469 895 K 3.8284 9.3900 119.8028 59.8227 32.1064 178.1216 896 E 3.9367 8.8939 119.4866 59.5571 29.4555 179.3749 897 L 3.9228 7.5208 119.4750 58.0796 42.0202 178.5619 898 K 3.9320 9.4318 118.0753 59.5833 31.9681 177.8097 899 A 4.2085 8.4252 120.4862 52.0725 18.7617 177.9590 900 R 3.8947 8.1584 111.7621 57.2063 28.5565 177.5924 901 K 3.9121 7.9255 119.8271 59.4006 32.9203 178.2411 902 I 3.2355 7.5334 117.8910 61.5003 34.3118 174.4378 903 P 4.7345 0.0000 0.0000 61.8350 29.1378 176.8934 904 I 4.6290 7.1666 122.3094 60.9020 42.4371 174.8305 905 I 4.3848 8.2704 125.4668 60.3918 39.8275 174.5554 906 I 4.9710 8.5347 127.2079 59.6415 41.9062 174.6050 907 R 4.5302 8.2527 124.0969 55.0306 31.7301 175.9848 908 R 4.7824 8.7781 125.4160 55.3511 30.2892 176.2869 909 Y 5.3838 9.9624 123.5107 57.1411 40.9838 173.9941 910 L 5.1272 9.1954 119.6609 52.7164 44.7403 176.5595 911 P 4.4605 0.0000 0.0000 64.8687 31.5806 177.3692 912 D 4.4357 8.0533 119.0637 56.8278 41.3761 174.8916 913 G 3.1226 6.6696 109.0097 44.3975 0.0000 171.7985 914 S 4.5911 6.6934 115.1884 60.0002 67.3357 174.4579 915 Y 5.1785 8.0528 122.8073 58.7202 41.1958 172.6004 916 E 4.0245 8.2789 123.3962 54.5543 33.5300 173.4026 917 D 5.4638 8.7713 125.1562 51.3582 42.5035 175.0710 918 W 4.5225 7.6984 114.6672 54.6540 29.2685 172.8133 919 G 3.9464 7.4832 113.2792 44.6177 0.0000 174.2256 920 V 4.8340 7.2194 122.2747 61.1276 33.4002 176.2207 921 D 4.5708 7.9622 117.1124 55.9599 41.4966 175.9121 922 E 4.8158 8.0719 116.3333 55.7509 32.3060 174.9914 923 L 4.1257 7.1424 119.1713 55.0271 42.0972 175.0705 924 I 4.0146 7.8047 119.9926 61.2855 38.7733 177.2303 925 I 4.3564 7.0095 117.6575 60.7123 36.0470 177.3890 926 T 3.8589 8.7228 111.4575 64.4354 67.2011 173.0349 927 D 4.8898 7.5449 123.1623 55.5156 41.2956 175.1803 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 801 M 8.30 4.40 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 802 S 7.81 4.52 0.00 3.94 3.77 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 0.00 803 D 8.60 4.76 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 N 8.30 5.09 0.00 2.64 2.68 0.00 0.00 7.16 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 0.00 805 E 8.38 4.29 0.00 1.82 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 2.15 2.23 0.00 806 D 8.72 4.52 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 N 7.30 4.29 0.00 2.57 2.47 0.00 0.00 7.05 7.32 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 0.00 808 F 8.89 5.13 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 D 7.95 4.82 0.00 2.66 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 0.00 810 G 8.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 811 D 7.36 4.66 0.00 2.85 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 0.00 812 D 8.59 5.09 0.00 2.72 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 0.00 813 F 8.73 5.15 0.00 2.84 3.21 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 0.00 814 D 8.16 4.86 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 815 D 7.97 4.80 0.00 2.53 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 0.00 816 V 7.39 4.43 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 0.72 0.00 0.00 0.45 0.00 0.00 817 E 7.78 4.50 0.00 1.81 1.81 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 2.15 2.21 0.00 818 E 8.19 4.28 0.00 1.90 1.90 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 2.25 2.35 0.00 819 D 8.48 4.97 0.00 2.60 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 0.00 820 E 8.52 4.81 0.00 2.01 1.91 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 2.15 2.20 0.00 821 G 7.26 4.28 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 0.00 822 L 7.61 4.31 0.00 1.54 1.44 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 823 D 7.99 4.91 0.00 2.61 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 0.00 824 D 7.73 4.57 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 825 L 7.76 4.70 0.00 1.74 1.61 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 826 E 7.82 4.41 0.00 1.92 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 2.25 2.28 0.00 827 N 8.26 4.06 0.00 2.94 2.98 0.00 0.00 6.31 7.27 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 0.00 828 A 7.44 4.04 1.25 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 0.00 0.00 829 E 7.31 4.34 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 830 E 8.32 3.72 0.00 2.04 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 2.12 2.24 0.00 831 E 7.72 4.19 0.00 1.96 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 2.29 2.24 0.00 832 G 7.65 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 Q 8.41 4.63 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.63 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 834 E 8.46 4.76 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 835 N 9.07 4.80 0.00 3.08 2.85 0.00 0.00 6.16 9.09 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 0.00 836 V 8.70 5.30 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 0.26 0.00 0.00 0.62 0.00 0.00 837 E 8.57 4.79 0.00 2.44 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 2.42 2.55 0.00 838 I 7.90 4.92 1.88 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 1.32 1.09 0.90 0.00 0.00 839 L 8.52 4.49 0.00 1.64 1.51 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 840 P 0.00 4.67 0.00 1.95 1.99 0.00 3.99 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 2.03 1.98 0.00 841 S 7.74 3.89 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 G 8.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 E 9.36 4.23 0.00 2.21 2.21 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 2.62 2.26 0.00 844 R 7.79 3.80 0.00 1.87 1.89 0.00 3.19 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 845 P 0.00 4.93 0.00 2.19 2.09 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 846 Q 7.39 4.45 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.62 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 847 A 7.81 4.39 1.24 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 0.00 0.00 848 N 8.06 4.06 0.00 2.62 2.72 0.00 0.00 7.07 7.04 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 0.00 849 Q 7.40 4.38 0.00 1.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.35 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 850 K 7.15 4.59 0.00 1.68 1.50 0.00 1.06 0.00 0.00 2.22 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.03 1.08 7.81 851 R 7.92 4.36 0.00 1.73 1.86 0.00 3.23 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 852 I 7.63 4.58 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 0.96 0.00 0.00 853 T 8.23 3.95 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 854 T 8.54 3.91 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 855 P 0.00 3.95 0.00 2.07 2.14 0.00 4.10 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 2.08 2.08 0.00 856 Y 6.87 5.00 0.00 3.01 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 0.00 857 M 8.27 4.48 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 858 T 8.69 4.85 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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