NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 818 G 3.8880 8.3544 109.7337 44.9873 0.0000 174.2791 819 I 3.4077 7.8722 121.0785 63.0661 38.5837 173.6720 820 D 4.4498 7.7897 123.2500 52.7312 41.8949 174.5460 821 P 4.2932 0.0000 0.0000 65.3944 31.4660 177.1756 822 F 4.9247 8.5566 117.2075 58.4933 39.4146 175.6049 823 T 4.6013 7.8366 111.4318 61.4332 70.2194 174.6032 824 G 4.2099 8.6832 110.7317 45.1221 0.0000 171.6182 825 E 5.2222 8.8069 119.2697 54.9713 33.3685 174.4334 826 A 5.0675 9.1215 127.3065 50.7664 23.7742 174.5049 827 I 4.8015 8.3062 119.1682 58.9363 40.6618 175.4731 828 A 4.1855 8.6813 129.3826 52.4115 18.5306 178.5206 829 K 3.8237 9.0866 123.3135 58.6649 32.7723 177.2018 830 F 5.1182 7.9346 115.5171 55.5405 43.4603 174.3451 831 N 4.8588 9.1370 117.7963 53.7980 39.3394 174.5319 832 F 4.7448 9.1310 124.9067 56.4255 42.4084 173.1389 833 N 4.5056 8.3552 125.7010 51.4972 39.0142 174.4977 834 G 3.3340 7.7163 115.8972 45.0860 0.0000 172.2849 835 D 4.3831 8.6319 122.7515 56.2009 41.2912 175.9808 836 T 4.7332 8.2071 107.9166 59.3458 71.7367 174.4344 837 Q 4.0893 8.5054 119.1354 58.2809 29.0523 178.2009 838 V 3.7673 7.7120 118.0246 65.3542 31.8474 175.7473 839 E 4.9390 7.7573 118.6224 56.1759 30.4661 176.2545 840 M 4.6639 9.2712 123.9781 54.1346 33.2765 175.9614 841 S 4.4782 8.7628 122.7001 58.7883 64.3301 173.1417 842 F 5.0660 8.3932 116.3975 56.5983 41.7872 172.7247 843 R 5.2251 9.2923 117.6306 53.7213 33.2109 176.0511 844 K 3.9418 8.9767 122.7403 58.7036 32.4377 177.2792 845 G 3.9745 8.9687 114.7575 45.1070 0.0000 173.5883 846 E 4.1411 7.8250 120.0452 56.1660 30.5698 176.5405 847 R 4.4964 8.3853 123.6962 56.3497 31.3392 175.5665 848 I 4.5492 8.5731 125.1908 59.7704 41.5741 174.4703 849 T 4.5987 8.8424 124.0957 62.8375 69.7665 173.9015 850 L 4.5013 8.6048 127.7791 54.5471 42.4600 177.4670 851 L 4.4982 9.1439 124.6105 56.4355 43.0113 177.0280 852 R 4.6855 7.7642 112.6558 55.1930 33.0024 174.0911 853 Q 4.6891 8.5969 121.7862 54.5195 29.4292 175.5617 854 V 3.7861 8.5344 126.9455 65.6437 32.0084 175.0277 855 D 4.5793 7.3794 117.0879 52.6945 41.0057 174.8977 856 E 3.8343 8.9020 115.7606 58.9899 29.8218 176.9705 857 N 4.7108 8.8728 115.7897 52.5309 40.7674 173.9334 858 W 5.2437 7.7612 117.7603 54.9861 33.4226 174.1383 859 Y 5.0568 8.3588 121.3802 56.4622 40.5050 174.0263 860 E 5.0287 9.0620 123.1037 54.9928 32.1838 175.1719 861 G 4.8202 9.2834 112.6887 45.8542 0.0000 171.1400 862 R 5.3324 9.1952 115.0671 54.8371 33.5345 174.1549 863 I 4.5459 8.2676 121.3656 59.0083 38.7752 173.9447 864 P 4.2291 0.0000 0.0000 64.2664 31.6291 176.6921 865 G 3.9160 9.1157 109.8272 45.8975 0.0000 172.3860 866 T 4.7102 7.5505 108.6968 60.1526 71.8714 173.7159 867 S 4.6832 8.4839 113.1039 58.0731 63.4127 173.9333 868 R 4.2345 8.1115 121.8765 56.3191 30.3068 175.4882 869 Q 5.0187 7.9400 122.4840 54.2432 32.3202 174.1596 870 G 4.0338 8.0980 110.2918 46.2001 0.0000 171.3532 871 I 5.0653 7.4644 113.0858 59.9452 40.4190 174.5820 872 F 5.0806 8.2836 115.4911 55.5458 41.5003 171.5869 873 P 3.8509 0.0000 0.0000 61.9393 32.0554 177.8215 874 I 3.9319 8.3076 124.9094 64.6828 37.1839 178.5387 875 T 4.1152 7.7830 108.6925 63.8746 69.0379 174.4479 876 Y 4.5775 8.3016 119.5222 58.4663 38.4516 175.2569 877 V 4.7493 7.7210 112.2107 59.4547 35.7304 174.3061 878 D 4.7499 8.8966 122.9727 52.7684 42.5815 175.4127 879 V 4.1414 8.3452 127.0480 62.5864 31.6210 175.5817 880 I 4.1173 8.7536 130.0885 63.4726 38.0842 176.6543 881 K 4.7312 7.6221 121.9629 54.5922 35.5818 175.8154 882 R 4.5666 8.6363 123.7484 55.2715 30.5149 174.4544 883 P 4.6618 0.0000 0.0000 62.7534 32.6489 176.2455 884 L 4.3057 8.7690 120.7052 55.0715 42.2415 176.5751 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 818 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 819 I 7.87 3.41 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.90 0.00 0.00 820 D 7.79 4.45 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 821 P 0.00 4.29 0.00 2.01 2.07 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 822 F 8.56 4.92 0.00 3.18 3.02 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 0.00 823 T 7.84 4.60 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 824 G 8.68 4.21 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 0.00 825 E 8.81 5.22 0.00 2.02 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 0.00 2.17 2.26 0.00 826 A 9.12 5.07 1.06 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 0.00 0.00 827 I 8.31 4.80 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.82 0.00 0.00 828 A 8.68 4.19 1.09 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 0.00 0.00 829 K 9.09 3.82 0.00 1.25 0.74 0.00 1.78 0.00 0.00 1.47 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.17 1.24 7.81 830 F 7.93 5.12 0.00 2.96 2.92 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 0.00 831 N 9.14 4.86 0.00 2.73 2.82 0.00 0.00 6.62 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 0.00 832 F 9.13 4.74 0.00 2.51 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 0.00 833 N 8.36 4.51 0.00 2.58 2.53 0.00 0.00 7.19 7.98 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 0.00 834 G 7.72 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 0.00 0.00 0.00 835 D 8.63 4.38 0.00 2.68 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 0.00 836 T 8.21 4.73 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 1.19 0.00 0.00 837 Q 8.51 4.09 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 838 V 7.71 3.77 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 0.87 0.00 0.00 0.90 0.00 0.00 839 E 7.76 4.94 0.00 2.07 2.22 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 2.77 2.53 0.00 840 M 9.27 4.66 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 841 S 8.76 4.48 0.00 3.73 3.68 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 0.00 842 F 8.39 5.07 0.00 3.20 3.17 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 0.00 843 R 9.29 5.23 0.00 1.85 1.92 0.00 3.19 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 844 K 8.98 3.94 0.00 1.81 1.81 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 845 G 8.97 3.97 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 0.00 0.00 0.00 846 E 7.82 4.14 0.00 1.94 1.79 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 2.34 2.47 0.00 847 R 8.39 4.50 0.00 1.74 1.75 0.00 3.16 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 848 I 8.57 4.55 1.56 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.33 0.77 0.00 0.00 849 T 8.84 4.60 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 1.23 0.00 0.00 850 L 8.60 4.50 0.00 1.41 1.35 0.39 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 851 L 9.14 4.50 0.00 1.66 1.76 0.99 0.92 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 0.00 852 R 7.76 4.69 0.00 1.87 2.01 0.00 2.96 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 853 Q 8.60 4.69 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.10 0.00 0.00 0.00 0.00 0.00 2.23 1.82 0.00 854 V 8.53 3.79 2.22 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 0.79 0.00 0.00 0.93 0.00 0.00 855 D 7.38 4.58 0.00 2.91 2.76 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 0.00 0.00 0.00 856 E 8.90 3.83 0.00 2.06 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 2.26 2.27 0.00 857 N 8.87 4.71 0.00 2.81 2.46 0.00 0.00 6.57 8.10 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 0.00 858 W 7.76 5.24 0.00 3.20 2.94 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 0.00 859 Y 8.36 5.06 0.00 2.06 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 E 9.06 5.03 0.00 2.04 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 2.31 2.31 0.00 861 G 9.28 4.82 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 0.00 862 R 9.20 5.33 0.00 2.00 2.05 0.00 2.79 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 863 I 8.27 4.55 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.77 0.95 0.00 0.00 864 P 0.00 4.23 0.00 2.02 1.99 0.00 3.70 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 2.00 2.08 0.00 865 G 9.12 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 0.00 0.00 0.00 866 T 7.55 4.71 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 1.28 0.00 0.00 867 S 8.48 4.68 0.00 4.00 3.99 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 0.00 0.00 0.00 868 R 8.11 4.23 0.00 1.97 1.98 0.00 3.17 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 869 Q 7.94 5.02 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 870 G 8.10 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 0.00 0.00 0.00 871 I 7.46 5.07 2.04 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 1.45 1.26 0.90 0.00 0.00 872 F 8.28 5.08 0.00 2.96 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 873 P 0.00 3.85 0.00 1.89 1.25 0.00 2.49 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.00 874 I 8.31 3.93 1.70 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 0.17 0.57 0.94 0.00 0.00 875 T 7.78 4.12 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 0.00 876 Y 8.30 4.58 0.00 3.40 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 V 7.72 4.75 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 0.61 0.00 0.00 1.28 0.00 0.00 878 D 8.90 4.75 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 879 V 8.35 4.14 2.13 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 0.84 0.00 0.00 1.04 0.00 0.00 880 I 8.75 4.12 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.89 0.00 0.00 881 K 7.62 4.73 0.00 1.76 1.63 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.44 7.81 882 R 8.64 4.57 0.00 1.93 1.96 0.00 3.11 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 883 P 0.00 4.66 0.00 2.15 2.27 0.00 3.82 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 2.12 2.11 0.00 884 L 8.77 4.31 0.00 1.51 1.35 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00