NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 837 P 4.4965 0.0000 0.0000 62.1929 33.2943 176.9227 838 Q 4.4063 7.8221 118.0093 56.7104 29.9893 175.7206 839 D 4.3782 8.4629 120.2957 57.3811 41.6049 179.2812 840 F 4.1425 8.2865 120.2654 61.3894 39.5944 176.5772 841 L 4.1777 8.1560 119.3291 58.4567 41.6660 178.8076 842 L 4.1240 8.1030 117.8231 56.9800 41.6620 178.5187 843 K 4.1990 7.4730 115.6948 55.8678 32.5400 176.8572 844 M 3.8483 7.2575 120.6817 53.8191 32.6596 174.2277 845 P 4.0312 0.0000 0.0000 63.9438 31.8506 176.5008 846 G 3.8720 8.8028 109.9365 46.0879 0.0000 172.9402 847 V 4.3612 7.3341 117.4576 60.3343 33.8253 174.9353 848 N 5.0648 8.2799 122.9617 50.2181 41.5239 175.0374 849 A 3.9084 8.4072 120.7883 55.5997 17.3124 178.8535 850 K 3.5912 8.2445 117.3632 60.4548 32.0646 177.6549 851 N 4.5754 7.9199 115.2699 54.3879 37.7265 176.4495 852 C 4.0626 8.0341 122.3580 62.8681 31.4603 174.4974 853 R 3.7395 7.2442 118.6838 60.2677 29.9749 178.1927 854 S 4.0891 7.7982 110.6740 60.8200 62.7612 175.8250 855 L 4.2375 7.6134 123.2477 57.3085 42.0549 177.9726 856 M 4.1788 8.0164 117.2283 57.6987 31.8800 177.3595 857 H 4.7637 7.4748 114.4623 56.9903 29.5985 175.4743 858 H 5.0063 7.6771 114.8718 55.2316 29.2903 174.6492 859 V 4.5601 7.3973 118.5310 59.6970 34.2508 175.4122 860 K 4.0950 8.9462 123.5342 59.2147 32.1831 176.3041 861 N 4.6375 7.5720 113.2782 50.7948 39.7965 175.2231 862 I 3.6140 8.4341 118.6387 64.7873 36.5148 178.3118 863 A 3.8110 7.9582 120.9181 55.5482 18.0923 179.0877 864 E 4.0414 8.1082 116.9263 58.6421 29.6453 178.9039 865 L 3.9887 8.8041 120.5473 57.8650 41.4762 178.8060 866 A 3.8867 7.4495 119.2828 55.3534 18.2778 178.4356 867 A 4.2555 8.0499 116.3307 53.4159 18.9106 177.4697 868 L 4.7026 7.4363 115.4112 53.5766 43.3996 177.0995 869 S 4.5965 8.2850 115.9913 57.3176 64.6822 175.3309 870 Q 3.6323 7.8405 124.1063 59.1712 28.7311 177.6131 871 D 4.3271 7.8929 119.3623 57.6138 40.7961 178.6564 872 E 4.0452 8.1390 118.0739 58.8790 29.4478 179.1667 873 L 4.1273 7.7196 119.0602 57.6964 41.7406 178.8078 874 T 3.8651 8.2861 116.3344 66.8440 68.2211 176.2228 875 S 4.3299 7.9728 114.8286 62.0410 62.9686 176.6161 876 I 3.9179 7.5031 121.9299 62.8203 37.1884 177.2977 877 L 4.6203 8.0501 118.2017 53.2015 42.7330 178.0467 878 G 3.8741 8.9747 106.5212 45.6918 0.0000 172.8766 879 N 4.7878 7.7905 118.3406 51.1417 40.4638 174.7430 880 A 3.9587 8.6510 128.6635 54.9500 18.5138 178.5513 881 A 4.1451 8.0631 118.5697 54.6700 19.1849 179.1884 882 N 4.2809 8.6840 115.1130 56.5580 38.5567 177.4066 883 A 4.0785 8.3113 122.2961 54.8210 18.4079 179.5031 884 K 3.9061 7.8823 117.7680 59.9624 32.2849 179.0722 885 Q 4.0390 8.1454 118.2394 58.7524 28.4591 178.3138 886 L 4.2821 7.9558 120.6835 57.6794 42.3207 178.1481 887 Y 4.1046 8.3714 119.8046 60.7554 38.8865 177.6889 888 D 4.4371 8.6072 120.0101 57.3087 40.7288 178.2143 889 F 4.3198 8.0970 120.1836 61.6688 39.3551 176.8593 890 I 3.8317 7.3387 117.9365 63.5077 37.2835 176.9995 891 H 4.5089 7.6999 113.8358 54.7486 29.2707 175.4280 892 T 4.0101 7.2283 119.0500 63.2304 68.8502 173.8587 893 S 4.7392 8.2235 120.0110 56.2971 65.1205 173.0980 894 F 4.6146 9.2476 125.4818 55.9829 39.8285 175.6198 895 A 5.7620 7.1479 135.0000 53.1625 24.1844 177.1025 896 E 4.2401 8.0568 119.2523 57.6267 28.7274 176.6580 897 V 3.1813 9.9838 105.2122 60.8872 30.1827 173.3780 898 V 3.6776 7.5387 118.2375 61.9478 32.1300 173.3397 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 837 P 0.00 4.50 0.00 2.19 2.21 0.00 3.70 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 1.90 1.96 0.00 838 Q 7.82 4.41 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 839 D 8.46 4.38 0.00 2.71 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 0.00 840 F 8.29 4.14 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 841 L 8.16 4.18 0.00 1.91 1.88 1.03 0.67 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 0.00 842 L 8.10 4.12 0.00 1.81 1.70 1.01 1.17 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 0.00 843 K 7.47 4.20 0.00 1.55 1.70 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.65 7.81 844 M 7.26 3.85 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.57 0.00 845 P 0.00 4.03 0.00 1.94 1.77 0.00 2.46 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.39 0.00 846 G 8.80 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 0.00 847 V 7.33 4.36 2.24 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 0.91 0.00 0.00 0.94 0.00 0.00 848 N 8.28 5.06 0.00 2.87 2.85 0.00 0.00 6.15 7.82 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 0.00 849 A 8.41 3.91 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 0.00 850 K 8.24 3.59 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 851 N 7.92 4.58 0.00 2.98 3.04 0.00 0.00 5.68 7.68 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 0.00 852 C 8.03 4.06 0.00 3.04 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 0.00 853 R 7.24 3.74 0.00 1.77 1.85 0.00 3.30 0.00 0.00 3.27 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 854 S 7.80 4.09 0.00 4.03 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 0.00 855 L 7.61 4.24 0.00 1.79 1.85 0.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 856 M 8.02 4.18 0.00 2.03 2.35 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 2.60 0.00 857 H 7.47 4.76 0.00 3.24 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 858 H 7.68 5.01 0.00 3.12 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 859 V 7.40 4.56 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 0.90 0.00 0.00 0.99 0.00 0.00 860 K 8.95 4.10 0.00 1.75 1.92 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.50 7.81 861 N 7.57 4.64 0.00 2.81 2.86 0.00 0.00 6.21 7.68 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 0.00 862 I 8.43 3.61 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.85 0.75 0.00 0.00 863 A 7.96 3.81 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 0.00 864 E 8.11 4.04 0.00 2.05 2.15 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 2.33 2.42 0.00 865 L 8.80 3.99 0.00 2.04 1.75 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 866 A 7.45 3.89 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 0.00 867 A 8.05 4.26 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 0.00 868 L 7.44 4.70 0.00 1.76 1.67 1.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 869 S 8.28 4.60 0.00 3.87 3.69 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 0.00 870 Q 7.84 3.63 0.00 1.18 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 871 D 7.89 4.33 0.00 2.67 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 0.00 872 E 8.14 4.05 0.00 2.04 2.02 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 2.40 2.40 0.00 873 L 7.72 4.13 0.00 2.06 1.76 1.14 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 874 T 8.29 3.87 4.38 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 1.22 0.00 0.00 875 S 7.97 4.33 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 876 I 7.50 3.92 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.95 0.00 0.00 877 L 8.05 4.62 0.00 1.69 1.68 0.99 0.64 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 0.00 878 G 8.97 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 0.00 879 N 7.79 4.79 0.00 2.73 2.68 0.00 0.00 7.03 7.52 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 0.00 880 A 8.65 3.96 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 0.00 881 A 8.06 4.15 1.32 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 0.00 0.00 882 N 8.68 4.28 0.00 3.02 2.99 0.00 0.00 6.82 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 A 8.31 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 K 7.88 3.91 0.00 2.07 1.92 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.58 1.50 7.81 885 Q 8.15 4.04 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 886 L 7.96 4.28 0.00 2.08 1.74 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 887 Y 8.37 4.10 0.00 3.26 3.06 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 0.00 888 D 8.61 4.44 0.00 2.91 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 0.00 889 F 8.10 4.32 0.00 3.08 3.37 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 0.00 890 I 7.34 3.83 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 0.66 0.00 0.00 891 H 7.70 4.51 0.00 2.83 3.20 0.00 5.85 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 T 7.23 4.01 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 1.03 0.00 0.00 893 S 8.22 4.74 0.00 3.75 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 894 F 9.25 4.61 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.15 5.76 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 0.00 896 E 8.06 4.24 0.00 2.14 1.56 0.00 0.00 0.00 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 2.32 0.00 897 V 9.98 3.18 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 0.73 0.00 0.00 0.96 0.00 0.00 898 V 7.54 3.68 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 0.59 0.00 0.00 0.94 0.00 0.00