NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 843 E 4.2890 8.3027 120.2263 55.4164 32.2165 176.5806 844 E 3.7304 8.1733 122.2769 57.9555 30.0978 175.3161 845 E 4.0553 8.5444 119.4243 59.2763 29.8037 177.3404 846 M 4.2289 8.0708 119.2275 58.2786 32.1169 177.7368 847 K 3.9480 8.0740 119.7933 59.3236 32.3850 178.4518 848 E 3.9819 8.4095 120.0573 59.2738 29.0055 178.8217 849 Q 4.0769 7.8074 118.0410 58.5219 28.6241 178.4631 850 L 4.1303 7.7098 119.8042 57.4044 41.7273 179.1989 851 K 3.9760 8.1162 118.5076 59.3854 31.8138 179.4896 852 Q 3.9913 7.9871 118.0766 58.9427 28.6685 177.8432 853 M 3.9682 7.8789 119.2452 59.0892 32.1653 178.1082 854 D 4.3393 8.3536 118.9042 57.1483 40.9559 178.6663 855 K 3.9386 7.7343 120.1827 59.7257 32.2129 178.5959 856 M 4.0666 8.4150 118.8539 58.5521 32.1461 178.3877 857 K 4.0648 8.2079 118.8625 59.2554 32.2095 179.2446 858 E 4.0262 8.2829 119.1597 59.3592 29.3073 179.0143 859 D 4.3762 8.1465 119.1314 57.0250 40.8040 178.5529 860 L 3.8946 7.9470 120.7073 58.0522 42.1670 178.7663 861 A 3.9686 7.8740 120.6331 55.0444 18.3987 179.4058 862 K 3.8375 8.0797 117.9245 59.9921 32.2255 178.9987 863 T 3.8205 8.0580 115.9000 66.8118 68.4553 176.2122 864 E 3.9436 8.5158 120.7860 59.7199 29.2116 179.5765 865 R 3.9090 8.0510 118.3637 59.4498 30.0362 178.7449 866 I 3.8299 7.6655 119.6414 64.1650 37.1283 178.4467 867 K 3.9303 8.3920 120.1694 59.9643 32.2808 179.0363 868 K 3.9523 8.1575 120.7587 59.1257 32.0938 178.4944 869 E 3.9393 7.7739 118.4529 59.2557 29.5181 178.8258 870 L 4.1867 8.0781 119.2106 57.6589 41.7635 179.2780 871 E 3.9448 8.8363 119.1769 59.4652 29.5831 179.1722 872 E 3.9795 8.2045 118.6644 59.6021 29.5916 179.6149 873 Q 4.0672 8.0540 117.3440 59.2464 28.6191 178.1695 874 N 4.3777 8.5406 118.7595 55.8326 38.5009 177.5844 875 V 3.5849 7.5990 119.6702 66.2846 31.6717 178.2855 876 T 3.9479 7.8510 115.1341 66.4295 68.1302 176.8383 877 L 4.0058 8.1173 121.1513 57.6752 41.6540 179.3621 878 L 3.9638 8.1093 119.0611 57.7849 41.5073 179.3579 879 E 3.9461 8.1954 118.3462 59.6754 29.4381 179.4643 880 Q 4.0140 7.9860 117.8030 58.8847 28.6938 178.8388 881 K 3.9583 8.3607 120.8543 59.5833 32.1538 178.6559 882 N 4.3651 8.2339 116.6995 56.5488 38.1047 177.1087 883 D 4.4134 8.5365 120.6539 57.2735 40.8350 179.1469 884 L 4.0154 8.2007 119.5362 57.8731 41.6847 178.9705 885 F 4.1275 8.6228 120.9310 61.4917 38.8406 177.4392 886 G 3.6840 8.5317 105.3082 47.6614 0.0000 175.9792 887 S 4.1897 7.7332 116.9531 61.4873 62.8060 176.3123 888 M 4.0182 8.5805 121.1659 58.1916 31.8183 178.4973 889 K 4.1930 7.5180 120.2708 58.5978 32.2608 179.2640 890 Q 3.9527 7.7215 117.9891 58.9444 28.6069 178.5850 891 L 3.9333 7.6313 119.4074 58.1034 41.2366 179.5118 892 E 3.8627 7.8793 117.9109 59.4675 29.2959 179.1874 893 D 4.3401 8.1153 118.7982 57.1945 40.9199 178.5518 894 K 3.8194 8.4976 120.2892 59.8073 32.2209 178.6499 895 V 3.6361 8.4338 119.0438 66.1627 31.2666 177.6521 896 E 3.9178 8.2653 118.9464 59.0049 29.4154 178.3302 897 E 3.9080 8.3885 119.5183 59.3655 29.8042 178.5404 898 L 3.9672 8.2784 119.3965 57.9781 41.7176 179.3898 899 L 4.0356 8.0533 119.9859 58.0596 41.9612 178.9989 900 S 4.1055 8.1604 113.0381 61.3793 62.3692 175.9805 901 K 3.9353 8.3065 121.4630 59.7590 31.8933 178.4722 902 N 4.2474 8.6586 117.3758 57.1299 38.2383 176.1998 903 Y 4.1254 8.1616 120.6865 61.0952 38.7712 177.6041 904 H 3.9728 8.3245 117.1430 58.3755 28.7097 177.9516 905 L 3.9259 8.1673 121.2179 57.9828 41.5533 179.0982 906 E 3.9557 8.1473 118.3879 59.6797 29.3229 179.5038 907 N 4.2415 7.6385 115.4807 56.2767 38.6634 177.3266 908 E 4.1215 7.8073 119.8946 59.1357 29.3589 179.7937 909 V 3.5133 7.7858 118.2121 65.8405 31.4670 177.7011 910 A 3.9548 7.5937 119.1240 55.7760 18.4769 178.8778 911 R 3.8051 8.4786 117.0028 59.7451 29.8935 178.2214 912 L 3.9145 8.2227 117.8984 58.2129 41.9195 179.8598 913 K 3.7838 8.3566 118.3046 59.6038 32.0704 179.1564 914 K 3.9629 7.9926 119.8822 59.3068 31.8961 178.8838 915 L 4.1588 7.9872 118.7534 56.9126 41.6887 178.4831 916 V 4.0170 7.7139 115.3317 61.5729 33.0865 174.9903 917 G 3.8385 7.5773 104.2264 47.3062 0.0000 173.8539 918 E 4.2331 8.6160 120.7450 56.6590 30.4842 176.3214 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 8.30 4.29 0.00 2.05 1.90 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 2.30 2.31 0.00 844 E 8.17 3.73 0.00 2.10 1.98 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 2.39 2.42 0.00 845 E 8.54 4.06 0.00 2.08 1.93 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 2.31 2.32 0.00 846 M 8.07 4.23 0.00 2.08 2.06 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 2.67 2.41 0.00 847 K 8.07 3.95 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 848 E 8.41 3.98 0.00 2.17 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 2.30 2.49 0.00 849 Q 7.81 4.08 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 850 L 7.71 4.13 0.00 1.84 1.70 0.92 1.11 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 0.00 851 K 8.12 3.98 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 852 Q 7.99 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 853 M 7.88 3.97 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 854 D 8.35 4.34 0.00 2.94 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 0.00 855 K 7.73 3.94 0.00 1.84 1.98 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 856 M 8.42 4.07 0.00 2.22 2.13 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 2.59 2.58 0.00 857 K 8.21 4.06 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.75 7.81 858 E 8.28 4.03 0.00 2.19 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 2.55 0.00 859 D 8.15 4.38 0.00 2.86 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 0.00 860 L 7.95 3.89 0.00 1.92 1.84 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 861 A 7.87 3.97 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 0.00 862 K 8.08 3.84 0.00 1.85 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 863 T 8.06 3.82 4.37 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 1.21 0.00 0.00 864 E 8.52 3.94 0.00 2.07 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 2.33 2.48 0.00 865 R 8.05 3.91 0.00 2.00 2.19 0.00 3.09 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 1.63 1.67 0.00 866 I 7.67 3.83 1.98 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 1.58 0.65 0.91 0.00 0.00 867 K 8.39 3.93 0.00 1.95 2.07 0.00 1.31 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.48 7.81 868 K 8.16 3.95 0.00 1.95 1.99 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 869 E 7.77 3.94 0.00 2.12 2.17 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 2.30 2.35 0.00 870 L 8.08 4.19 0.00 1.89 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 871 E 8.84 3.94 0.00 2.17 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 2.51 0.00 872 E 8.20 3.98 0.00 2.13 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 2.67 0.00 873 Q 8.05 4.07 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 874 N 8.54 4.38 0.00 2.87 2.90 0.00 0.00 6.54 8.45 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 0.00 875 V 7.60 3.58 2.28 0.00 0.00 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 0.99 0.00 0.00 876 T 7.85 3.95 4.37 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 1.21 0.00 0.00 877 L 8.12 4.01 0.00 1.86 1.71 0.92 0.47 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 0.00 878 L 8.11 3.96 0.00 1.92 1.71 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 879 E 8.20 3.95 0.00 2.22 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 2.33 2.46 0.00 880 Q 7.99 4.01 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 881 K 8.36 3.96 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 882 N 8.23 4.37 0.00 3.06 2.86 0.00 0.00 7.03 8.11 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 0.00 883 D 8.54 4.41 0.00 2.92 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 0.00 884 L 8.20 4.02 0.00 1.95 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 885 F 8.62 4.13 0.00 3.32 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 G 8.53 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 7.73 4.19 0.00 4.03 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 0.00 888 M 8.58 4.02 0.00 1.76 1.90 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 889 K 7.52 4.19 0.00 1.91 1.80 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.46 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.49 7.81 890 Q 7.72 3.95 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 891 L 7.63 3.93 0.00 1.81 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 892 E 7.88 3.86 0.00 2.08 1.96 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 0.00 2.26 2.57 0.00 893 D 8.12 4.34 0.00 2.91 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 0.00 894 K 8.50 3.82 0.00 1.89 2.01 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 895 V 8.43 3.64 2.21 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 0.92 0.00 0.00 0.96 0.00 0.00 896 E 8.27 3.92 0.00 2.24 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 2.29 2.29 0.00 897 E 8.39 3.91 0.00 2.07 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 0.00 2.32 2.36 0.00 898 L 8.28 3.97 0.00 1.86 1.73 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 899 L 8.05 4.04 0.00 2.07 1.83 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 900 S 8.16 4.11 0.00 4.04 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 0.00 901 K 8.31 3.94 0.00 1.99 1.89 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.70 7.81 902 N 8.66 4.25 0.00 2.84 3.03 0.00 0.00 6.91 7.58 0.00 0.00 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 8.16 4.13 0.00 2.96 3.04 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 0.00 0.00 0.00 904 H 8.32 3.97 0.00 3.37 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 L 8.17 3.93 0.00 1.84 1.69 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 906 E 8.15 3.96 0.00 2.07 1.98 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 2.51 2.53 0.00 907 N 7.64 4.24 0.00 2.73 2.71 0.00 0.00 6.92 7.54 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 0.00 908 E 7.81 4.12 0.00 2.06 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 2.41 2.44 0.00 909 V 7.79 3.51 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 1.08 0.00 0.00 0.91 0.00 0.00 910 A 7.59 3.95 1.36 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 0.00 0.00 0.00 911 R 8.48 3.81 0.00 2.04 1.98 0.00 3.10 0.00 0.00 3.32 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 912 L 8.22 3.91 0.00 1.73 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 913 K 8.36 3.78 0.00 2.00 1.88 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 914 K 7.99 3.96 0.00 2.04 1.89 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 915 L 7.99 4.16 0.00 1.73 1.70 0.91 1.17 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 0.00 916 V 7.71 4.02 2.17 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 0.91 0.00 0.00 0.99 0.00 0.00 917 G 7.58 3.84 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 0.00 0.00 0.00 918 E 8.62 4.23 0.00 2.03 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 2.22 2.21 0.00