NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 804 V 4.1112 8.0549 120.3246 61.0342 33.5854 175.3977 805 S 4.5037 7.9163 116.1757 55.6825 64.2875 170.1094 806 E 4.2998 8.5413 126.7844 55.2430 31.3028 174.0841 807 P 5.1060 0.0000 0.0000 63.4974 32.0718 175.4383 808 A 4.6021 8.5651 123.1008 49.7539 20.8554 175.5017 809 P 4.2151 0.0000 0.0000 62.9374 31.7878 178.0519 810 S 4.1095 8.7897 117.1142 61.4199 62.5519 173.9596 811 C 4.4531 8.2313 112.6860 56.1640 41.6141 172.3149 812 V 4.7522 7.8524 122.0806 61.8174 32.5652 174.7479 813 T 4.3687 8.5352 125.3250 61.8899 70.4280 173.4674 814 L 4.8018 8.1068 128.2795 53.8786 43.4201 175.0259 815 Y 4.9511 8.6530 123.1226 56.2578 41.7978 174.2896 816 Q 4.9240 8.9042 124.3905 54.7970 32.1145 174.5170 817 S 4.8879 8.7193 123.1424 56.3466 65.8915 174.4800 818 W 2.6012 8.5300 115.9443 58.2944 28.1797 177.3742 819 R 3.8092 6.7237 113.0022 55.2411 30.6177 174.1071 820 Y 5.3047 7.0640 114.7235 55.1271 42.9801 174.6675 821 S 4.9489 8.5609 114.9497 57.4624 66.7997 173.6570 822 Q 4.9962 10.0627 124.1318 53.9192 32.9277 174.7832 823 A 4.8058 8.8276 121.1534 50.6861 22.3706 175.1080 824 D 4.6421 9.1658 124.2866 53.4065 42.4831 175.2679 825 N 4.7787 9.2904 127.6274 52.3160 39.5830 175.6256 826 G 4.3408 8.3008 117.4862 45.9718 0.0000 170.3074 827 C 5.1666 8.4103 114.8528 54.3759 44.4524 174.9010 828 A 3.9607 8.6082 123.2760 55.0952 17.8403 177.9129 829 E 4.6178 7.5913 113.2736 54.2151 32.4671 175.2373 830 T 4.3762 8.0592 115.8210 63.5909 69.7958 174.1579 831 V 4.6768 8.7785 123.2724 61.3589 35.6449 174.1456 832 T 5.1848 8.4764 120.6716 60.6287 69.4245 173.1408 833 V 5.1376 9.2732 121.9175 59.6016 36.8983 174.3371 834 K 5.0877 9.0426 120.9617 55.3001 36.8612 174.7733 835 V 4.3884 8.0860 119.5702 61.0776 33.5489 174.2122 836 V 4.3130 7.8624 128.4749 62.0847 33.0707 174.7946 837 Y 5.0239 8.6697 125.1881 56.1301 40.6028 176.0287 838 E 4.2089 9.4464 121.3640 58.1773 29.2072 177.2653 839 D 4.3851 8.2191 117.7170 56.1209 41.5935 176.5661 840 D 4.8794 8.7320 117.8175 53.9031 39.6428 174.3071 841 T 4.6091 7.4362 109.3637 60.6327 71.3637 173.2217 842 E 5.9351 8.1385 120.4598 53.7748 33.7022 175.2217 843 G 4.2847 8.4713 108.2348 44.2394 0.0000 173.0713 844 L 4.1891 8.5774 121.6158 55.4095 42.8270 177.0329 845 C 4.7188 8.4753 121.5207 56.9567 37.4145 172.4967 846 Y 4.7728 9.3700 121.9947 56.0393 40.5248 174.7415 847 A 4.9458 8.6737 125.6318 50.8443 20.2656 176.5939 848 V 4.3237 9.3326 124.4781 61.0939 33.9470 175.5219 849 A 4.9936 8.4987 130.8429 50.6045 19.0231 174.7514 850 P 4.3674 0.0000 0.0000 64.1258 31.7353 177.2032 851 G 3.9308 9.0686 109.0390 46.2335 0.0000 173.3752 852 Q 4.6153 7.7333 119.0224 54.5098 30.7971 174.8942 853 I 5.4095 8.2114 115.8480 58.7467 39.5619 174.6742 854 T 4.7128 8.2926 122.6716 61.4856 72.7523 173.3626 855 T 4.2414 8.1959 120.3172 63.6019 68.7123 174.7999 856 V 3.0751 8.8585 124.3404 62.4615 33.9860 174.7951 857 G 4.1203 7.4840 107.0047 45.4925 0.0000 171.6260 858 D 4.9553 7.6871 119.3227 50.7736 41.3337 175.8220 859 G 4.2360 8.1164 108.0955 44.2749 0.0000 173.8067 860 Y 4.7186 8.1105 116.3632 58.2002 37.9656 176.6893 861 I 4.3267 7.6128 112.8802 61.1635 38.8200 176.1783 862 G 3.8044 7.7787 111.5819 45.0513 0.0000 174.9156 863 S 4.1449 8.4719 114.5760 61.2025 62.8896 174.9716 864 H 4.4768 8.0015 115.9709 55.0543 29.2633 177.2855 865 G 3.8834 8.1510 108.9779 46.0658 0.0000 172.7198 866 H 4.6453 8.7457 117.9556 55.8139 30.1471 174.9344 867 A 4.3044 9.1300 125.5585 51.8939 17.9469 177.2577 868 R 4.1755 8.9816 123.2462 58.7348 30.2822 176.1042 869 Y 4.5971 7.6453 114.0594 56.5620 42.2668 171.7803 870 L 4.8242 8.2991 119.2328 53.5949 43.0964 175.8239 871 A 5.2302 8.3216 126.5617 49.9106 21.6152 176.1686 872 R 4.4200 9.1270 118.5123 56.3477 30.7460 175.1530 873 C 4.8803 8.7592 118.6408 55.3467 42.1091 174.1259 874 L 4.2942 8.4203 122.0937 54.8896 41.6315 176.2943 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 804 V 8.05 4.11 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 0.95 0.00 0.00 0.95 0.00 0.00 805 S 7.92 4.50 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 806 E 8.54 4.30 0.00 2.08 1.86 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 2.40 2.33 0.00 807 P 0.00 5.11 0.00 2.14 2.09 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 808 A 8.57 4.60 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 P 0.00 4.22 0.00 2.19 2.00 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 810 S 8.79 4.11 0.00 3.81 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 0.00 811 C 8.23 4.45 0.00 3.36 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 0.00 812 V 7.85 4.75 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 0.77 0.00 0.00 0.97 0.00 0.00 813 T 8.54 4.37 3.98 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 0.87 0.00 0.00 814 L 8.11 4.80 0.00 1.52 1.43 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 815 Y 8.65 4.95 0.00 2.96 2.78 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 0.00 0.00 0.00 816 Q 8.90 4.92 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 817 S 8.72 4.89 0.00 4.08 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 0.00 818 W 8.53 2.60 0.00 3.15 2.87 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 0.00 819 R 6.72 3.81 0.00 0.76 0.66 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 820 Y 7.06 5.30 0.00 2.79 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 0.00 821 S 8.56 4.95 0.00 3.96 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 0.00 822 Q 10.06 5.00 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 823 A 8.83 4.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 824 D 9.17 4.64 0.00 2.95 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 0.00 825 N 9.29 4.78 0.00 2.88 2.87 0.00 0.00 6.59 8.35 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 0.00 826 G 8.30 4.34 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 0.00 827 C 8.41 5.17 0.00 2.99 2.97 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 0.00 0.00 0.00 828 A 8.61 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 E 7.59 4.62 0.00 1.90 1.87 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 2.20 2.36 0.00 830 T 8.06 4.38 4.25 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 1.25 0.00 0.00 831 V 8.78 4.68 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 0.95 0.00 0.00 0.98 0.00 0.00 832 T 8.48 5.18 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 0.00 833 V 9.27 5.14 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 0.73 0.00 0.00 0.94 0.00 0.00 834 K 9.04 5.09 0.00 1.99 1.89 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.27 7.81 835 V 8.09 4.39 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.78 0.00 0.00 836 V 7.86 4.31 1.09 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 0.87 0.00 0.00 0.44 0.00 0.00 837 Y 8.67 5.02 0.00 2.90 3.03 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 0.00 0.00 0.00 838 E 9.45 4.21 0.00 2.21 2.07 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 2.36 2.32 0.00 839 D 8.22 4.39 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 0.00 840 D 8.73 4.88 0.00 2.80 3.02 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 0.00 0.00 0.00 841 T 7.44 4.61 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 842 E 8.14 5.94 0.00 1.85 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 2.16 2.13 0.00 843 G 8.47 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 844 L 8.58 4.19 0.00 1.58 0.94 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 845 C 8.48 4.72 0.00 2.81 2.97 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 0.00 0.00 0.00 846 Y 9.37 4.77 0.00 2.86 2.82 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 0.00 847 A 8.67 4.95 1.24 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 0.00 0.00 0.00 848 V 9.33 4.32 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 1.04 0.00 0.00 0.95 0.00 0.00 849 A 8.50 4.99 1.25 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 0.00 0.00 850 P 0.00 4.37 0.00 2.05 2.19 0.00 3.83 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 2.03 2.19 0.00 851 G 9.07 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 0.00 0.00 0.00 852 Q 7.73 4.62 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 853 I 8.21 5.41 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 0.92 0.00 0.00 854 T 8.29 4.71 4.19 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 1.11 0.00 0.00 855 T 8.20 4.24 3.96 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 0.00 0.00 0.92 0.00 0.00 856 V 8.86 3.08 1.86 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 0.62 0.00 0.00 0.67 0.00 0.00 857 G 7.48 4.12 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 0.00 0.00 0.00 858 D 7.69 4.96 0.00 2.70 2.68 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 0.00 859 G 8.12 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 0.00 0.00 0.00 0.00 860 Y 8.11 4.72 0.00 3.11 3.18 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 0.00 0.00 0.00 0.00 861 I 7.61 4.33 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.69 1.19 0.00 0.00 862 G 7.78 3.80 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 0.00 0.00 0.00 863 S 8.47 4.14 0.00 3.98 3.99 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 0.00 0.00 0.00 864 H 8.00 4.48 0.00 2.24 2.53 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 G 8.15 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 0.00 866 H 8.75 4.65 0.00 3.18 3.32 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 0.00 867 A 9.13 4.30 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.98 4.18 0.00 2.02 2.16 0.00 3.53 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 869 Y 7.65 4.60 0.00 3.03 2.97 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 0.00 0.00 0.00 870 L 8.30 4.82 0.00 1.62 1.63 0.88 0.59 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 0.00 871 A 8.32 5.23 1.19 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 0.00 0.00 872 R 9.13 4.42 0.00 1.80 1.96 0.00 3.06 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 873 C 8.76 4.88 0.00 3.01 3.03 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 0.00 0.00 0.00 874 L 8.42 4.29 0.00 1.61 1.54 0.93 0.87 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