NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 843 E 4.2812 8.4444 120.2263 56.1760 31.2242 175.1784 844 E 4.2753 8.0918 118.5825 55.3450 29.6668 173.2580 845 E 4.2091 7.8652 118.7293 57.2788 31.2658 177.8361 846 M 4.0816 8.0493 116.8372 58.9476 31.0678 178.1080 847 K 3.4924 8.0982 120.1201 59.0203 32.2627 178.2887 848 E 3.9158 7.9559 119.2837 59.3872 29.5876 178.6178 849 Q 4.1435 7.9628 117.0715 58.0439 28.6598 177.8261 850 L 3.9586 8.7634 122.4574 57.3172 42.0023 178.6112 851 K 3.8798 7.7679 119.7188 58.8577 32.3675 178.1782 852 Q 3.9679 8.0666 119.7775 59.4166 28.7829 178.3601 853 M 4.0428 8.4115 119.7306 58.6049 32.1800 177.9503 854 D 4.3536 7.5611 118.8388 57.2850 40.9554 178.7175 855 K 4.0036 8.2583 120.1452 59.4885 32.1337 178.5864 856 M 4.0457 7.8037 118.9116 58.3117 31.9960 178.3280 857 K 4.0212 8.1198 119.1395 59.0944 32.1642 178.8450 858 E 4.1276 8.0662 117.5169 58.9380 29.9301 178.5978 859 D 4.3571 8.3272 120.0630 56.9149 40.7508 178.5163 860 L 3.9238 7.9741 120.8802 58.0935 42.1588 178.8596 861 A 3.9951 7.7974 120.8176 54.7636 18.1701 179.5602 862 K 3.8196 8.1984 118.2549 60.1190 32.3535 179.0984 863 T 3.8747 7.8195 115.8962 66.8629 68.3733 176.4661 864 E 3.9980 8.3851 120.4343 59.2686 29.5824 179.4025 865 R 3.8934 7.9266 118.8468 59.4893 30.1376 178.7026 866 I 3.7323 8.1471 120.0953 63.9889 36.9886 178.1550 867 K 3.8598 8.4118 120.9475 59.7411 32.0544 178.9755 868 K 4.7863 8.0700 119.8190 58.9196 31.8362 179.2718 869 E 3.9384 7.9995 118.5422 59.4179 29.4462 179.3230 870 L 3.9885 8.0500 118.9832 57.8194 41.7003 179.3068 871 E 3.9325 8.3635 118.6472 59.4708 29.4085 178.8774 872 E 3.9005 8.1308 119.0370 59.5641 29.7021 178.7132 873 Q 3.9977 8.4708 118.1962 59.3252 28.8578 179.0185 874 N 4.4241 8.7753 117.5439 56.2634 38.5810 177.6722 875 V 3.6380 7.8923 119.7764 65.9051 31.4675 178.4162 876 T 3.8486 7.8046 115.7264 66.6976 68.3637 176.7083 877 L 4.1155 8.3002 121.2903 57.7199 41.5646 179.4353 878 L 3.9606 8.0836 120.3446 58.1476 42.0338 178.9725 879 E 3.9763 8.0492 118.3805 59.6009 29.5526 179.3908 880 Q 4.0428 8.3568 118.2641 58.7225 28.7187 178.7541 881 K 4.0513 8.4615 121.3339 59.3260 32.1141 178.8110 882 N 4.4165 8.1727 116.9971 56.3654 38.5236 177.0506 883 D 4.4108 8.2485 120.2976 57.4482 40.8565 178.9699 884 L 4.0192 7.9323 119.1316 57.7993 41.6692 179.2893 885 F 4.1774 8.4313 120.7769 61.1516 39.2422 177.4730 886 G 3.5982 8.5233 105.7917 47.7980 0.0000 175.7615 887 S 4.2520 8.0360 117.8996 61.5345 62.8662 176.3290 888 M 3.8847 8.0364 120.7465 58.6771 31.8721 178.2400 889 K 3.7122 7.7002 118.2450 59.6491 32.1643 179.2314 890 Q 4.3218 7.9895 119.3952 58.3857 28.5557 178.8537 891 L 3.9399 8.2179 120.2999 57.9702 41.6687 179.4528 892 E 3.9119 8.4274 118.7221 59.4997 29.2523 179.0601 893 D 4.3411 8.3917 119.2920 57.3710 40.8880 178.9132 894 K 3.9349 8.1978 120.1962 59.2717 32.1856 179.0069 895 V 3.5272 7.8801 118.7184 65.9449 31.4894 177.5282 896 E 3.8859 8.2230 118.9780 59.3066 29.4204 178.2143 897 E 3.9314 8.0902 119.2253 59.4554 29.6283 178.8786 898 L 3.9943 7.9505 118.8469 57.8340 41.7518 179.4858 899 L 4.0873 8.0219 118.9609 57.7776 41.5612 179.5886 900 S 4.2154 8.1987 113.2128 61.1731 62.3232 176.3996 901 K 4.0378 8.3489 121.4386 59.5890 31.8415 179.1415 902 N 4.4219 8.6834 117.2505 56.2807 38.4098 176.8794 903 Y 4.1408 8.0571 120.8934 61.0404 38.9817 177.5414 904 H 3.9213 8.2318 118.9690 59.2579 29.9718 177.1450 905 L 4.0111 8.3915 121.1701 57.9325 41.4659 179.4288 906 E 3.9903 8.5766 118.8815 59.3173 29.3525 179.1446 907 N 4.2460 7.8620 116.6994 55.8466 38.3899 177.3737 908 E 3.7948 7.8913 120.1842 59.3296 29.5877 179.2064 909 V 3.5316 7.7163 117.9619 66.0550 31.4982 177.7381 910 A 3.9158 7.9240 120.1131 55.1866 18.1486 179.3863 911 R 3.7772 8.3388 117.3096 59.6967 30.2068 178.5373 912 L 3.9508 8.6017 119.1863 57.8268 41.6900 179.7322 913 K 3.9337 8.6372 118.5777 59.3896 31.7778 179.2421 914 K 3.9092 7.9224 118.6704 59.4407 31.9968 178.2095 915 L 4.0651 8.1314 120.9129 58.1266 41.7257 179.2040 916 V 3.7287 7.6514 117.6808 65.6765 31.6183 177.5714 917 G 3.8191 7.8846 102.2931 45.5929 0.0000 173.9140 918 E 4.4044 7.7024 125.4747 56.3638 29.9203 175.4382 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 4.28 0.00 1.97 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 2.21 2.30 0.00 844 E 8.09 4.28 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 2.24 2.36 0.00 845 E 7.87 4.21 0.00 2.04 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 2.37 2.29 0.00 846 M 8.05 4.08 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 847 K 8.10 3.49 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.45 7.81 848 E 7.96 3.92 0.00 2.14 2.16 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 2.30 2.39 0.00 849 Q 7.96 4.14 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 850 L 8.76 3.96 0.00 1.92 1.66 0.92 -0.39 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 0.00 851 K 7.77 3.88 0.00 1.88 2.00 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.47 7.81 852 Q 8.07 3.97 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 853 M 8.41 4.04 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 854 D 7.56 4.35 0.00 2.85 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 8.26 4.00 0.00 1.87 1.80 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.49 7.81 856 M 7.80 4.05 0.00 2.19 2.16 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 2.57 0.00 857 K 8.12 4.02 0.00 2.04 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 858 E 8.07 4.13 0.00 2.15 2.19 0.00 0.00 0.00 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 2.34 0.00 859 D 8.33 4.36 0.00 2.81 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 0.00 860 L 7.97 3.92 0.00 1.86 1.81 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 861 A 7.80 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.82 0.00 1.90 2.02 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 863 T 7.82 3.87 4.36 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 1.21 0.00 0.00 864 E 8.39 4.00 0.00 2.14 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 2.46 0.00 865 R 7.93 3.89 0.00 1.97 2.11 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 1.71 1.67 0.00 866 I 8.15 3.73 1.99 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 0.61 0.91 0.00 0.00 867 K 8.41 3.86 0.00 1.93 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 868 K 8.07 4.79 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.47 7.81 869 E 8.00 3.94 0.00 2.32 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 2.35 0.00 870 L 8.05 3.99 0.00 1.88 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 871 E 8.36 3.93 0.00 2.09 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 2.56 0.00 872 E 8.13 3.90 0.00 2.20 2.19 0.00 0.00 0.00 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 2.40 0.00 873 Q 8.47 4.00 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 874 N 8.78 4.42 0.00 2.88 2.86 0.00 0.00 6.70 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 0.00 875 V 7.89 3.64 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 1.03 0.00 0.00 0.93 0.00 0.00 876 T 7.80 3.85 4.43 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 1.21 0.00 0.00 877 L 8.30 4.12 0.00 1.78 1.72 0.92 0.45 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 0.00 878 L 8.08 3.96 0.00 1.98 1.65 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 879 E 8.05 3.98 0.00 2.20 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 2.33 2.65 0.00 880 Q 8.36 4.04 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 881 K 8.46 4.05 0.00 2.00 1.87 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 882 N 8.17 4.42 0.00 2.99 2.88 0.00 0.00 6.97 8.15 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 0.00 883 D 8.25 4.41 0.00 2.80 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 0.00 884 L 7.93 4.02 0.00 1.96 1.76 0.97 0.84 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 0.00 885 F 8.43 4.18 0.00 3.31 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 0.00 886 G 8.52 3.60 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 0.00 0.00 0.00 887 S 8.04 4.25 0.00 4.06 3.91 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 0.00 888 M 8.04 3.88 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 889 K 7.70 3.71 0.00 1.86 1.73 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.46 7.81 890 Q 7.99 4.32 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 891 L 8.22 3.94 0.00 1.83 1.69 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 892 E 8.43 3.91 0.00 2.12 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 0.00 2.27 2.48 0.00 893 D 8.39 4.34 0.00 2.83 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 0.00 894 K 8.20 3.93 0.00 1.84 1.95 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 895 V 7.88 3.53 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 0.95 0.00 0.00 896 E 8.22 3.89 0.00 2.10 2.06 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 2.29 2.36 0.00 897 E 8.09 3.93 0.00 2.09 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 0.00 2.31 2.36 0.00 898 L 7.95 3.99 0.00 2.05 1.71 0.98 0.69 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 0.00 899 L 8.02 4.09 0.00 2.05 1.72 0.93 0.52 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 0.00 900 S 8.20 4.22 0.00 3.97 4.05 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 0.00 901 K 8.35 4.04 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 902 N 8.68 4.42 0.00 2.83 2.91 0.00 0.00 6.69 7.15 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 0.00 903 Y 8.06 4.14 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.92 0.00 3.29 3.44 0.00 5.64 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 8.39 4.01 0.00 2.01 1.70 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 906 E 8.58 3.99 0.00 2.03 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 0.00 2.32 2.53 0.00 907 N 7.86 4.25 0.00 2.58 2.64 0.00 0.00 6.94 7.18 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 0.00 908 E 7.89 3.79 0.00 2.13 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 2.20 2.42 0.00 909 V 7.72 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 910 A 7.92 3.92 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 0.00 911 R 8.34 3.78 0.00 1.84 2.06 0.00 3.08 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 912 L 8.60 3.95 0.00 1.84 1.69 0.91 0.72 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 0.00 913 K 8.64 3.93 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 914 K 7.92 3.91 0.00 1.80 2.01 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.44 7.81 915 L 8.13 4.07 0.00 1.91 1.71 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 916 V 7.65 3.73 2.23 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 0.86 0.00 0.00 0.99 0.00 0.00 917 G 7.88 3.82 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 0.00 0.00 0.00 918 E 7.70 4.40 0.00 1.94 1.84 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 2.25 2.45 0.00