NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 843 E 4.2653 8.4449 121.4701 56.2448 31.3315 176.5584 844 E 4.3243 8.0601 114.8801 55.6022 29.4732 174.0919 845 E 4.2226 8.8541 123.4313 59.0561 31.0251 177.6852 846 M 4.1933 8.0154 117.8560 57.9222 31.7383 178.5037 847 K 3.9514 7.9702 118.8881 59.3530 32.4767 178.3009 848 E 3.6404 7.9129 118.2095 59.5891 29.3348 179.0720 849 Q 3.9590 7.9374 118.7247 59.0249 29.3999 177.6383 850 L 3.9800 7.9542 119.9841 57.7022 41.6308 179.7091 851 K 3.9688 9.0305 119.5097 59.6635 32.0506 179.3978 852 Q 4.0285 7.9307 117.7461 59.2968 28.5867 178.8723 853 M 4.1029 8.3083 119.9973 58.3496 31.9411 178.6074 854 D 4.3266 8.0828 119.1290 57.2614 40.9595 178.6501 855 K 3.9483 8.0707 120.1268 59.8675 32.1403 178.7735 856 M 4.0907 8.2286 118.9797 58.1861 31.9003 178.8782 857 K 3.9974 8.2554 118.8418 59.3349 32.1101 179.3314 858 E 3.9329 8.2376 118.8537 59.5949 29.4725 178.9521 859 D 4.3518 8.3721 119.2791 57.3703 40.8405 178.8409 860 L 3.9357 8.1557 120.5260 58.0473 42.2571 178.8443 861 A 3.9958 7.9377 120.6380 54.9969 18.3058 179.7622 862 K 3.8958 8.2587 117.0279 60.1241 32.1701 179.6717 863 T 3.9073 7.9983 115.8476 66.8543 68.2347 176.5383 864 E 3.9821 8.4169 120.4817 59.2778 29.3753 179.6311 865 R 3.9193 7.8156 117.8819 59.2717 30.0568 179.0988 866 I 3.6954 7.8191 119.6750 64.0773 37.0606 178.3564 867 K 3.8877 8.2547 120.6363 59.5143 32.1224 178.7764 868 K 3.9414 8.3161 120.1083 59.3325 32.0658 178.3804 869 E 3.9125 8.3112 119.7953 59.3316 29.5275 178.8415 870 L 4.0403 8.2586 119.3473 57.7583 41.6281 179.3814 871 E 3.9703 8.3530 118.6667 59.4270 29.4105 179.2566 872 E 3.9922 8.1571 118.5327 59.4660 29.4773 179.4348 873 Q 3.9893 8.1578 118.1089 58.8021 28.7186 178.1445 874 N 4.2409 8.4187 118.4107 56.9619 39.0697 177.0796 875 V 3.5988 7.8337 119.3866 66.2479 31.5755 178.1526 876 T 3.9130 7.9439 115.6403 66.4952 68.2615 176.8026 877 L 4.0079 8.3612 121.4073 57.7350 41.6440 179.4650 878 L 4.0267 8.1351 119.0660 57.9107 41.5636 179.5246 879 E 4.0074 8.1837 118.3659 59.5431 29.4526 179.4441 880 Q 4.0372 8.2078 118.0855 58.6359 28.6724 179.0677 881 K 3.7844 8.2019 119.7468 59.5474 32.1666 179.2039 882 N 4.7141 8.3757 116.7493 56.4444 38.4255 177.3021 883 D 4.3975 8.2825 120.4604 57.2638 40.8218 178.7870 884 L 3.9677 7.7737 119.4963 57.7283 41.6120 179.4956 885 F 4.4724 8.6073 118.3743 60.5662 38.8664 177.9702 886 G 3.6802 8.2677 105.3619 47.9980 0.0000 176.0044 887 S 4.1899 8.1097 117.6648 61.5835 62.8061 176.7155 888 M 4.1224 8.4228 121.7307 58.0965 31.6515 178.7341 889 K 4.1340 8.2636 119.8715 59.7484 32.4207 178.9492 890 Q 4.0372 8.0866 118.2551 58.8994 28.5638 178.8592 891 L 4.0368 7.9541 120.1404 57.7448 41.7199 179.2583 892 E 4.0301 8.6396 119.0199 59.5515 29.2970 179.2243 893 D 4.3707 8.3000 118.9611 57.1628 40.8079 178.7017 894 K 3.9181 8.1135 120.2506 59.3462 32.0941 178.9819 895 V 3.5563 8.2454 118.9681 66.0911 31.6211 177.6138 896 E 3.9100 8.2446 118.9889 59.2263 29.4561 178.4041 897 E 3.9618 8.4896 119.6637 59.3189 29.6766 178.8378 898 L 4.0992 8.2400 119.2327 57.6105 41.8156 179.3967 899 L 4.0639 8.2897 119.4003 57.7396 41.5674 179.8230 900 S 4.2235 8.0418 114.7931 61.5347 62.7846 176.8374 901 K 4.0550 8.1557 121.1553 59.5501 31.8132 179.1771 902 N 4.3568 8.6055 117.1845 56.5088 38.4964 176.8247 903 Y 4.5445 8.0513 120.6797 61.0106 38.8046 177.5900 904 H 4.0290 8.1776 118.6592 59.2748 29.9922 177.2075 905 L 3.8618 8.2251 121.0997 57.8678 41.4327 179.3958 906 E 4.0324 8.6903 118.9035 59.4044 29.2751 179.2317 907 N 4.2382 8.0337 116.5315 56.2438 38.5978 177.3210 908 E 3.8656 8.2284 120.2198 59.2423 29.5333 179.4795 909 V 3.5062 8.1721 118.4184 66.0326 31.4671 177.8467 910 A 3.9776 7.9379 120.3578 55.1383 17.7981 179.6477 911 R 3.8052 8.2478 117.3805 59.7007 30.3598 178.8288 912 L 4.0193 8.3828 119.0957 57.4983 41.5197 179.8073 913 K 3.9799 8.1576 118.6513 59.4974 32.2198 179.6103 914 K 4.0345 7.8332 118.6788 59.1952 31.6198 179.5340 915 L 4.0855 7.4170 118.4654 57.6335 41.7242 179.1714 916 V 4.0055 7.5625 109.1129 61.4443 31.7848 177.1602 917 G 3.8880 7.3916 105.8087 45.8387 0.0000 174.3936 918 E 4.3947 7.8308 119.9540 55.3734 31.4446 177.2795 919 R 4.2131 8.3040 118.5579 57.2899 31.0720 175.1648 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 843 E 8.44 4.27 0.00 1.94 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 0.00 2.19 2.34 0.00 844 E 8.06 4.32 0.00 2.07 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 2.26 2.36 0.00 845 E 8.85 4.22 0.00 2.03 1.92 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 2.33 2.39 0.00 846 M 8.02 4.19 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 847 K 7.97 3.95 0.00 2.00 1.84 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 848 E 7.91 3.64 0.00 2.11 1.97 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 2.31 2.39 0.00 849 Q 7.94 3.96 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 850 L 7.95 3.98 0.00 2.03 1.70 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 851 K 9.03 3.97 0.00 1.73 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 852 Q 7.93 4.03 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 853 M 8.31 4.10 0.00 2.04 2.27 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 2.81 2.58 0.00 854 D 8.08 4.33 0.00 2.90 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 0.00 855 K 8.07 3.95 0.00 1.84 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 856 M 8.23 4.09 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 857 K 8.26 4.00 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 858 E 8.24 3.93 0.00 2.21 1.99 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 2.33 2.47 0.00 859 D 8.37 4.35 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 L 8.16 3.94 0.00 1.83 1.81 0.92 0.83 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 0.00 861 A 7.94 4.00 1.38 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 0.00 0.00 0.00 862 K 8.26 3.90 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 863 T 8.00 3.91 4.24 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 1.21 0.00 0.00 864 E 8.42 3.98 0.00 2.26 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 0.00 2.33 2.35 0.00 865 R 7.82 3.92 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 866 I 7.82 3.70 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.91 0.00 0.00 867 K 8.25 3.89 0.00 1.81 2.07 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.45 7.81 868 K 8.32 3.94 0.00 1.94 1.93 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 869 E 8.31 3.91 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 2.30 2.35 0.00 870 L 8.26 4.04 0.00 1.88 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 871 E 8.35 3.97 0.00 2.21 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 0.00 2.33 2.47 0.00 872 E 8.16 3.99 0.00 2.22 1.99 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 2.33 2.56 0.00 873 Q 8.16 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 874 N 8.42 4.24 0.00 2.89 3.00 0.00 0.00 6.88 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 V 7.83 3.60 2.20 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 0.98 0.00 0.00 0.96 0.00 0.00 876 T 7.94 3.91 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 1.21 0.00 0.00 877 L 8.36 4.01 0.00 1.78 1.70 0.92 0.50 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 0.00 878 L 8.14 4.03 0.00 1.84 1.75 0.94 0.85 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 0.00 879 E 8.18 4.01 0.00 2.20 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 0.00 2.34 2.55 0.00 880 Q 8.21 4.04 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 881 K 8.20 3.78 0.00 2.05 1.82 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.40 7.81 882 N 8.38 4.71 0.00 2.90 2.94 0.00 0.00 7.09 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 0.00 883 D 8.28 4.40 0.00 2.90 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 0.00 884 L 7.77 3.97 0.00 1.73 1.52 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 885 F 8.61 4.47 0.00 3.29 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 0.00 886 G 8.27 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 0.00 0.00 0.00 887 S 8.11 4.19 0.00 4.06 3.93 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 0.00 888 M 8.42 4.12 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 889 K 8.26 4.13 0.00 1.98 2.05 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.54 7.81 890 Q 8.09 4.04 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 891 L 7.95 4.04 0.00 1.86 1.72 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 892 E 8.64 4.03 0.00 2.20 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 2.35 2.37 0.00 893 D 8.30 4.37 0.00 2.85 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 0.00 894 K 8.11 3.92 0.00 1.97 2.00 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 895 V 8.25 3.56 2.25 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 1.03 0.00 0.00 1.01 0.00 0.00 896 E 8.24 3.91 0.00 2.14 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 2.31 2.37 0.00 897 E 8.49 3.96 0.00 2.18 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 0.00 2.32 2.36 0.00 898 L 8.24 4.10 0.00 1.74 1.71 0.93 0.78 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 0.00 899 L 8.29 4.06 0.00 1.68 1.71 0.91 0.98 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 0.00 900 S 8.04 4.22 0.00 4.08 3.95 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 0.00 0.00 0.00 0.00 901 K 8.16 4.05 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.71 7.81 902 N 8.61 4.36 0.00 2.82 2.92 0.00 0.00 6.69 7.02 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 0.00 903 Y 8.05 4.54 0.00 3.11 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 0.00 904 H 8.18 4.03 0.00 3.24 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 L 8.23 3.86 0.00 1.86 1.68 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 906 E 8.69 4.03 0.00 2.18 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 0.00 2.37 2.65 0.00 907 N 8.03 4.24 0.00 2.70 2.71 0.00 0.00 7.01 7.05 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 0.00 908 E 8.23 3.87 0.00 2.00 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 2.17 2.25 0.00 909 V 8.17 3.51 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 1.00 0.00 0.00 1.00 0.00 0.00 910 A 7.94 3.98 1.38 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 0.00 0.00 0.00 911 R 8.25 3.81 0.00 1.84 2.04 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 912 L 8.38 4.02 0.00 1.70 1.69 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 913 K 8.16 3.98 0.00 2.01 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 914 K 7.83 4.03 0.00 1.73 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 915 L 7.42 4.09 0.00 1.83 1.72 0.91 0.82 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 0.00 916 V 7.56 4.01 2.08 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 0.76 0.00 0.00 1.04 0.00 0.00 917 G 7.39 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 0.00 918 E 7.83 4.39 0.00 1.98 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 2.34 2.27 0.00 919 R 8.30 4.21 0.00 1.74 1.76 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00