NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 850 G 3.8705 8.3549 109.7395 45.1061 0.0000 173.5993 851 S 4.1276 8.5026 117.6903 57.5300 62.8542 172.4438 852 H 4.4180 8.8334 126.4365 58.2598 31.0192 174.9228 853 M 4.2538 7.8056 114.6446 54.8963 32.7644 175.5383 854 A 3.8238 8.6174 118.6092 52.9808 15.9931 178.6829 855 M 4.1571 8.0201 117.3420 57.3603 32.5814 176.0068 856 A 4.5704 7.7410 121.3103 51.6413 21.6026 176.7636 857 Y 3.5327 8.5562 113.3973 58.6195 35.3265 169.2312 858 V 4.7950 7.4920 119.5848 61.4733 34.0888 174.6745 859 I 4.6970 8.6189 128.1607 59.5279 41.2776 174.6562 860 R 4.8379 8.2814 122.9854 54.6606 31.7659 176.2173 861 D 4.5793 8.9301 123.6711 53.4685 42.2071 176.8577 862 E 3.9851 8.6530 120.6383 58.8445 29.4387 178.3619 863 W 4.2448 8.8051 127.3105 57.7265 31.0595 176.7756 864 G 4.0111 7.9775 105.9173 45.2968 0.0000 173.3634 865 N 4.5693 8.2117 117.0136 52.9496 40.2495 173.8569 866 Q 4.2395 7.8964 119.6006 55.1198 29.9067 175.7447 867 I 3.8274 8.4723 126.5135 59.8579 38.7011 175.0182 868 W 4.9348 8.4698 127.9084 55.9726 30.7827 175.7380 869 I 4.5316 8.7231 126.6585 59.6250 37.5939 174.9850 870 C 3.9827 8.9343 129.4472 59.0335 32.1465 172.4524 871 P 4.8003 0.0000 0.0000 63.7882 31.1808 177.4144 872 G 4.0196 8.4221 109.1682 47.7139 0.0000 174.5004 873 C 4.6753 8.2849 112.4706 57.3011 31.6046 174.1883 874 N 4.6664 9.0857 116.0422 53.6575 36.0932 173.8017 875 K 4.5798 7.8710 117.1570 54.0627 34.0282 174.7630 876 P 5.2869 0.0000 0.0000 61.0173 32.5301 175.3888 877 D 4.5994 8.5983 117.8744 54.7685 40.0069 174.8758 878 D 4.6155 8.4750 125.2993 52.7727 40.4885 176.3476 879 G 4.1454 7.9962 109.0448 46.8968 0.0000 173.1308 880 S 4.7000 9.0250 113.3463 55.6880 67.7148 172.8472 881 P 4.2265 0.0000 0.0000 62.6794 31.9522 175.5596 882 M 5.3931 8.5066 122.5106 53.6582 35.4671 174.9140 883 I 4.3932 9.1727 121.2309 59.2780 41.4394 174.7006 884 G 3.1760 6.8827 115.5134 44.3381 0.0000 172.6686 885 C 4.9892 7.8368 120.0028 58.5560 32.5916 172.9902 886 D 4.4529 8.2860 121.4163 55.0779 41.2865 176.5757 887 D 4.7092 8.3219 117.1842 54.9968 42.3104 175.6347 888 C 4.7157 7.8317 111.9003 56.6003 31.8462 172.5814 889 D 4.5662 8.4531 118.1160 55.4592 41.7263 175.9597 890 D 4.7712 7.7825 118.4723 53.4350 42.8911 175.0716 891 W 4.6871 7.6054 119.2739 55.3235 31.6620 175.0963 892 Y 4.8132 9.3011 121.2956 56.7898 41.0543 174.2541 893 H 5.5370 8.7927 115.7998 54.0108 31.8001 175.9799 894 W 4.2415 9.0864 121.7683 59.6704 28.9827 177.4535 895 P 4.3777 0.0000 0.0000 66.0513 30.6405 177.8123 896 C 4.4165 7.7834 116.0755 62.0760 28.1648 175.3324 897 V 4.3332 8.1797 111.1898 60.4259 33.3954 175.8216 898 G 3.8537 8.6491 106.5854 45.8422 0.0000 173.9613 899 I 3.9086 7.2823 118.4777 60.4101 38.2933 176.4259 900 M 4.1972 8.3558 124.7019 57.1964 32.7071 176.1156 901 A 4.3128 6.9771 117.4512 50.1882 22.0671 175.2177 902 A 3.6714 8.5776 122.9591 51.7469 18.3817 176.3465 903 P 4.4125 0.0000 0.0000 61.8905 32.5194 174.5704 904 P 4.4278 0.0000 0.0000 62.4798 31.7694 177.5517 905 E 4.1424 8.5340 118.7777 58.1664 30.2851 177.8167 906 E 4.0514 8.0425 117.0078 58.7744 30.1037 176.9773 907 M 4.2067 7.3138 118.2784 55.1111 32.9197 174.9327 908 Q 4.3136 8.4451 123.9908 54.3008 30.3501 174.5723 909 W 4.4538 8.1561 134.1748 55.4457 33.0575 174.4262 910 F 4.8875 7.3110 124.6996 55.1928 41.9094 174.7975 911 C 3.3484 7.8192 117.5613 56.3315 30.2035 172.5329 912 P 4.0078 0.0000 0.0000 65.6554 30.3873 178.4501 913 K 4.0737 7.6537 118.0838 59.7237 32.4157 178.6824 914 C 4.1450 7.8318 115.3036 61.7234 28.2409 175.7481 915 A 3.8404 8.4781 123.4709 54.8288 17.6561 178.9850 916 N 4.3546 7.5025 114.8155 56.2155 39.0373 177.0183 917 K 4.0525 7.6073 119.1221 59.1763 32.2958 178.7206 918 I 3.5012 7.1493 119.4039 63.4631 37.0445 175.4935 919 K 4.0484 8.5351 122.2812 54.8518 32.5095 174.9624 920 K 4.0698 7.3276 125.2791 56.9951 36.1327 175.3572 921 D 4.5818 8.0508 122.1363 52.5800 39.8714 174.4507 922 K 4.4474 8.1006 124.1645 54.9887 34.2961 177.0630 923 K 4.4596 8.5356 119.1449 56.7319 33.2100 175.4891 924 H 4.4289 8.0424 124.5305 56.5595 29.9062 173.7111 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 850 G 8.35 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 851 S 8.50 4.13 0.00 3.98 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 0.00 852 H 8.83 4.42 0.00 3.11 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 853 M 7.81 4.25 0.00 2.18 2.09 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 2.54 2.61 0.00 854 A 8.62 3.82 1.42 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 0.00 0.00 855 M 8.02 4.16 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 856 A 7.74 4.57 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 3.53 0.00 3.26 3.27 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 0.00 858 V 7.49 4.80 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 0.76 0.00 0.00 1.10 0.00 0.00 859 I 8.62 4.70 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.87 0.00 0.00 860 R 8.28 4.84 0.00 1.63 1.78 0.00 3.44 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 861 D 8.93 4.58 0.00 2.61 2.67 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 0.00 0.00 0.00 862 E 8.65 3.99 0.00 2.07 2.05 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 2.32 2.26 0.00 863 W 8.81 4.24 0.00 3.27 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 0.00 864 G 7.98 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 865 N 8.21 4.57 0.00 2.53 2.53 0.00 0.00 7.59 7.75 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 0.00 866 Q 7.90 4.24 0.00 1.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.14 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 867 I 8.47 3.83 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.12 0.89 0.00 0.00 868 W 8.47 4.93 0.00 3.42 2.98 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 0.00 869 I 8.72 4.53 2.05 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 1.23 0.58 0.93 0.00 0.00 870 C 8.93 3.98 0.00 3.04 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 0.00 871 P 0.00 4.80 0.00 2.24 1.90 0.00 3.20 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.82 0.00 872 G 8.42 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 0.00 0.00 0.00 873 C 8.28 4.68 0.00 3.16 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 0.00 874 N 9.09 4.67 0.00 2.92 3.08 0.00 0.00 7.03 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 0.00 875 K 7.87 4.58 0.00 1.90 1.75 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 876 P 0.00 5.29 0.00 2.21 2.10 0.00 3.40 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 877 D 8.60 4.60 0.00 2.81 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 0.00 878 D 8.48 4.62 0.00 2.80 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 0.00 879 G 8.00 4.15 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 0.00 880 S 9.02 4.70 0.00 3.82 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 0.00 881 P 0.00 4.23 0.00 0.49 0.79 0.00 3.32 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.58 0.00 882 M 8.51 5.39 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 883 I 9.17 4.39 1.78 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.78 0.52 0.00 0.00 884 G 6.88 3.18 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 0.00 885 C 7.84 4.99 0.00 3.25 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 0.00 886 D 8.29 4.45 0.00 2.36 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 0.00 0.00 0.00 887 D 8.32 4.71 0.00 2.94 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 0.00 888 C 7.83 4.72 0.00 3.17 2.98 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 0.00 889 D 8.45 4.57 0.00 2.70 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 0.00 890 D 7.78 4.77 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.61 4.69 0.00 1.78 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 0.00 892 Y 9.30 4.81 0.00 3.16 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 0.00 893 H 8.79 5.54 0.00 3.41 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 894 W 9.09 4.24 0.00 3.44 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 0.00 895 P 0.00 4.38 0.00 2.31 2.29 0.00 3.91 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 2.11 2.14 0.00 896 C 7.78 4.42 0.00 3.23 3.24 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 0.00 897 V 8.18 4.33 2.37 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 0.98 0.00 0.00 1.30 0.00 0.00 898 G 8.65 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 0.00 899 I 7.28 3.91 0.97 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 1.38 0.12 -0.56 0.00 0.00 900 M 8.36 4.20 0.00 1.97 2.03 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 2.51 2.51 0.00 901 A 6.98 4.31 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 0.00 902 A 8.58 3.67 1.40 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 0.00 903 P 0.00 4.41 0.00 2.07 1.92 0.00 3.43 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 904 P 0.00 4.43 0.00 2.17 1.98 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 905 E 8.53 4.14 0.00 2.05 2.05 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 2.24 2.23 0.00 906 E 8.04 4.05 0.00 2.09 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 2.28 0.00 907 M 7.31 4.21 0.00 2.29 1.99 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 2.61 2.51 0.00 908 Q 8.45 4.31 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 909 W 8.16 4.45 0.00 3.17 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 0.00 910 F 7.31 4.89 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.82 3.35 0.00 2.05 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 0.00 0.00 0.00 912 P 0.00 4.01 0.00 2.19 2.18 0.00 3.31 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 913 K 7.65 4.07 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.59 1.67 7.81 914 C 7.83 4.15 0.00 3.00 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 0.00 915 A 8.48 3.84 1.17 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 0.00 0.00 916 N 7.50 4.35 0.00 2.61 3.11 0.00 0.00 7.40 6.53 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 0.00 917 K 7.61 4.05 0.00 1.77 1.69 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.60 7.81 918 I 7.15 3.50 1.91 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.40 0.78 0.00 0.00 919 K 8.54 4.05 0.00 2.02 1.81 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.31 7.81 920 K 7.33 4.07 0.00 1.65 1.69 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.15 1.23 7.81 921 D 8.05 4.58 0.00 2.62 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 0.00 922 K 8.10 4.45 0.00 1.82 1.70 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.38 7.81 923 K 8.54 4.46 0.00 1.83 1.87 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.36 7.81 924 H 8.04 4.43 0.00 3.05 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00