NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 850 G 3.8985 8.3549 109.7271 45.4145 0.0000 174.1955 851 S 3.9755 8.5611 118.4080 58.5037 63.1579 172.9166 852 H 4.3707 8.8327 116.5173 55.8877 27.4691 173.2713 853 M 4.4375 7.5006 121.5111 54.0413 35.1390 176.1518 854 A 4.5864 7.0224 126.6783 52.6992 20.6603 175.4261 855 M 4.1430 8.2207 122.4510 53.1039 30.8848 174.5716 856 A 4.2526 7.0536 123.5692 51.6786 23.0554 176.5296 857 Y 4.4820 8.1183 115.6188 56.7441 35.9218 175.6319 858 V 4.8479 7.2182 118.3804 61.3155 35.5017 174.2253 859 I 4.7982 8.9005 120.3361 59.2215 41.6497 173.7214 860 R 5.1097 8.3100 118.2506 54.4328 31.5907 175.7886 861 D 4.6550 8.4750 121.1488 51.9014 41.5083 176.8350 862 E 3.8416 8.2014 116.0426 59.0079 29.6130 178.2210 863 W 4.7321 7.9534 118.7829 59.2162 29.4327 176.6014 864 G 4.1969 7.7675 106.1570 45.5115 0.0000 173.2281 865 N 4.7949 9.5026 117.9350 51.9901 40.4745 174.5853 866 Q 4.1800 8.3470 121.3032 55.6616 29.7381 175.3600 867 I 4.3496 8.5752 125.8822 59.2597 39.5846 175.0535 868 W 4.8355 8.9799 127.2846 56.1946 30.7481 175.2445 869 I 4.9272 8.5759 124.8266 59.6281 38.9477 175.1076 870 C 4.4495 8.9478 127.2409 57.6513 31.5705 172.4533 871 P 3.3355 0.0000 0.0000 63.6973 31.2425 178.0681 872 G 3.9428 8.0780 107.8591 48.3832 0.0000 174.4939 873 C 4.4856 8.0259 112.6112 56.8985 31.2157 173.8792 874 N 4.5007 8.4072 117.5208 53.8574 37.6338 173.1694 875 K 4.7654 7.7057 115.4229 53.7687 34.3336 174.5783 876 P 4.9816 0.0000 0.0000 62.2531 32.7451 175.1344 877 D 4.6490 8.7068 120.7387 54.4470 41.4369 175.6660 878 D 4.7336 8.7188 124.6542 54.0876 41.3915 176.7604 879 G 3.8782 8.2564 106.2597 46.1627 0.0000 173.8457 880 S 4.6253 8.5672 112.9512 55.0597 65.5340 171.9610 881 P 3.9859 0.0000 0.0000 62.8698 31.5555 175.3863 882 M 5.1983 8.4630 123.5514 53.3988 35.8876 174.7364 883 I 4.5588 9.1941 121.4078 59.2539 40.9185 174.3443 884 G 3.4354 7.6926 115.8139 43.8783 0.0000 173.0260 885 C 4.7716 8.2656 123.9905 59.4117 32.8299 173.6988 886 D 4.5960 8.5910 122.8702 55.0475 40.7186 175.9816 887 D 4.9066 7.9124 116.0320 55.8600 42.8665 176.7226 888 C 4.2889 7.9998 112.9296 58.7683 30.3735 173.8407 889 D 4.5497 7.9954 117.7797 54.6824 38.0072 173.1245 890 D 4.7959 7.3010 114.9472 53.7534 43.1948 175.0536 891 W 5.0601 8.7103 121.4539 55.3963 31.8196 174.2654 892 Y 4.8273 8.8624 122.6825 56.2624 40.6343 175.7880 893 H 4.9077 8.7841 118.1520 55.2103 30.1219 176.9199 894 W 4.3894 8.5129 121.7333 59.7321 28.8796 177.0399 895 P 4.5615 0.0000 0.0000 64.4658 30.8943 176.4902 896 C 4.5283 7.8524 116.1536 60.7724 28.7178 174.6339 897 V 4.2866 8.0189 110.1241 60.3766 33.3815 176.1741 898 G 4.2343 8.5238 108.3309 45.6357 0.0000 173.0589 899 I 4.2590 7.6992 119.9745 59.2808 38.7978 175.7861 900 M 4.7637 8.0681 118.3198 54.4809 32.8908 175.2705 901 A 4.3698 7.0234 120.0289 49.5879 22.2741 175.0805 902 A 3.6670 8.2676 124.5117 51.0451 18.8799 176.1221 903 P 4.4944 0.0000 0.0000 61.1116 32.8749 174.2224 904 P 4.5449 0.0000 0.0000 62.3095 32.1006 177.1838 905 E 4.1235 8.5143 118.0160 58.7484 29.7113 178.5353 906 E 4.0504 8.1523 117.9435 58.7798 29.8047 176.8219 907 M 4.3638 7.4464 117.7001 54.4420 33.2639 175.3347 908 Q 4.6281 8.3045 124.2714 55.1343 30.7167 174.8445 909 W 4.9333 8.8335 130.6339 56.0621 34.6672 173.4596 910 F 4.8086 7.2738 123.8928 55.2935 42.1864 174.6762 911 C 3.3568 7.9801 117.6355 56.3185 30.3895 172.5631 912 P 4.2022 0.0000 0.0000 65.4852 30.6923 178.4022 913 K 4.0850 7.7398 118.4588 59.8126 32.4003 178.7613 914 C 4.1561 7.8287 116.0227 62.4585 28.3330 175.7034 915 A 3.9466 8.5108 122.0045 54.0513 17.6432 179.0960 916 N 4.2099 7.3710 114.9847 56.3447 39.2063 176.9036 917 K 4.0814 7.8131 118.7287 59.8590 32.8262 178.8277 918 I 3.5723 7.1291 119.9579 62.9960 37.0617 175.9994 919 K 4.3199 7.8873 121.3504 55.1352 33.0233 175.8190 920 K 3.6827 7.6701 114.8561 57.1173 28.4639 174.3310 921 D 4.5245 7.5602 118.4560 53.5868 42.5256 175.8475 922 K 4.0868 8.5463 124.1885 58.9471 32.4311 177.7827 923 K 4.1349 8.2297 118.9327 56.9157 32.9510 176.5178 924 H 4.4591 8.3421 118.0806 55.7170 28.5838 172.9589 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 3.90 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 0.00 0.00 0.00 851 S 8.56 3.98 0.00 3.96 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 0.00 852 H 8.83 4.37 0.00 3.26 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 853 M 7.50 4.44 0.00 1.92 1.92 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 2.55 2.43 0.00 854 A 7.02 4.59 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.14 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 856 A 7.05 4.25 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 0.00 857 Y 8.12 4.48 0.00 2.96 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 0.00 858 V 7.22 4.85 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 0.14 0.00 0.00 0.99 0.00 0.00 859 I 8.90 4.80 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.85 0.00 0.00 860 R 8.31 5.11 0.00 1.71 1.80 0.00 2.98 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 861 D 8.47 4.66 0.00 2.72 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 0.00 862 E 8.20 3.84 0.00 1.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 863 W 7.95 4.73 0.00 3.49 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 0.00 864 G 7.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.50 4.79 0.00 2.70 2.74 0.00 0.00 7.77 7.90 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 0.00 866 Q 8.35 4.18 0.00 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.77 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 867 I 8.58 4.35 1.76 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 0.84 0.91 0.00 0.00 868 W 8.98 4.84 0.00 3.24 3.05 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 0.00 0.00 0.00 869 I 8.58 4.93 2.22 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 1.18 0.92 1.10 0.00 0.00 870 C 8.95 4.45 0.00 2.67 2.93 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 0.00 871 P 0.00 3.34 0.00 1.64 1.17 0.00 2.20 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 872 G 8.08 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 0.00 873 C 8.03 4.49 0.00 3.13 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 0.00 874 N 8.41 4.50 0.00 2.95 3.07 0.00 0.00 7.38 7.06 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 0.00 875 K 7.71 4.77 0.00 1.85 1.76 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.47 7.81 876 P 0.00 4.98 0.00 2.10 2.10 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 877 D 8.71 4.65 0.00 2.86 2.70 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 0.00 0.00 0.00 878 D 8.72 4.73 0.00 2.62 2.64 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 0.00 879 G 8.26 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 0.00 880 S 8.57 4.63 0.00 3.79 3.74 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 0.00 881 P 0.00 3.99 0.00 0.49 0.77 0.00 3.09 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 882 M 8.46 5.20 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 883 I 9.19 4.56 1.72 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 1.13 0.28 0.00 0.00 884 G 7.69 3.44 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 0.00 885 C 8.27 4.77 0.00 3.20 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 0.00 886 D 8.59 4.60 0.00 1.99 2.56 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 0.00 0.00 0.00 887 D 7.91 4.91 0.00 2.84 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 0.00 888 C 8.00 4.29 0.00 3.22 3.23 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 0.00 889 D 8.00 4.55 0.00 2.92 2.86 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 0.00 890 D 7.30 4.80 0.00 2.87 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 0.00 891 W 8.71 5.06 0.00 3.27 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 0.00 892 Y 8.86 4.83 0.00 3.07 2.93 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 0.00 893 H 8.78 4.91 0.00 3.38 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 894 W 8.51 4.39 0.00 3.54 3.31 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 0.00 895 P 0.00 4.56 0.00 2.24 2.25 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 896 C 7.85 4.53 0.00 3.37 3.22 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 0.00 897 V 8.02 4.29 2.40 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 0.57 0.00 0.00 1.03 0.00 0.00 898 G 8.52 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 0.00 899 I 7.70 4.26 1.39 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 -0.47 0.00 0.00 900 M 8.07 4.76 0.00 2.04 2.12 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 2.36 2.39 0.00 901 A 7.02 4.37 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 0.00 902 A 8.27 3.67 1.46 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 0.00 0.00 903 P 0.00 4.49 0.00 2.04 1.92 0.00 3.22 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 904 P 0.00 4.54 0.00 2.22 2.20 0.00 3.64 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 2.04 1.96 0.00 905 E 8.51 4.12 0.00 1.99 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 2.35 0.00 906 E 8.15 4.05 0.00 1.95 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 2.31 2.29 0.00 907 M 7.45 4.36 0.00 1.93 1.93 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 2.56 2.50 0.00 908 Q 8.30 4.63 0.00 1.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 909 W 8.83 4.93 0.00 3.11 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 0.00 910 F 7.27 4.81 0.00 2.59 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 0.00 911 C 7.98 3.36 0.00 2.75 2.93 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 0.00 912 P 0.00 4.20 0.00 2.15 2.14 0.00 3.35 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 913 K 7.74 4.08 0.00 1.84 1.92 0.00 2.00 0.00 0.00 2.09 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.61 7.81 914 C 7.83 4.16 0.00 2.97 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 0.00 915 A 8.51 3.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.21 0.00 2.94 2.94 0.00 0.00 7.16 6.54 0.00 0.00 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 7.81 4.08 0.00 1.89 1.88 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.38 7.81 918 I 7.13 3.57 1.84 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.74 0.00 0.00 919 K 7.89 4.32 0.00 1.83 1.98 0.00 1.91 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.35 7.81 920 K 7.67 3.68 0.00 1.90 1.81 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.32 7.81 921 D 7.56 4.52 0.00 2.60 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 8.55 4.09 0.00 1.75 1.82 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.45 7.81 923 K 8.23 4.13 0.00 1.89 1.79 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.71 1.36 7.81 924 H 8.34 4.46 0.00 3.20 3.21 0.00 5.56 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