NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 818 G 3.9898 8.3549 109.7389 45.2297 0.0000 175.1401 819 I 3.5963 8.0945 123.0921 63.0101 36.9048 175.1597 820 D 4.5404 7.8599 121.0229 52.9998 42.4102 174.7562 821 P 4.4973 0.0000 0.0000 65.4748 31.7144 177.4659 822 F 4.4998 8.4753 117.9789 60.1448 39.7892 175.7963 823 T 4.5564 7.8121 108.6737 61.6090 69.4086 174.6309 824 G 4.5763 8.6023 110.9700 44.2291 0.0000 171.9270 825 E 5.0968 8.6137 119.9639 54.2993 32.2218 175.0304 826 A 5.1483 8.9690 125.1151 50.2071 23.1910 174.6512 827 I 4.8044 8.1532 119.9346 59.0117 40.7491 175.1689 828 A 4.1093 8.2809 127.9499 52.2432 18.7042 177.9919 829 K 3.8774 9.2421 124.3299 57.5783 33.3088 176.4956 830 F 5.2558 7.7571 115.1450 55.3337 43.2701 174.6839 831 N 4.7640 9.0849 118.3425 53.4778 38.9734 174.3102 832 F 4.8797 8.2814 126.1582 56.5745 41.3303 173.9660 833 N 4.6661 7.8970 123.5229 51.1422 39.9587 175.1445 834 G 3.7034 8.7757 113.9247 45.3531 0.0000 173.1210 835 D 4.7314 9.0316 120.2755 53.8805 42.5592 176.2972 836 T 4.6521 8.4209 109.5816 59.0961 71.3665 175.0094 837 Q 3.9666 8.5554 122.7940 59.1202 29.2703 177.8210 838 V 3.7464 7.5250 116.3965 65.1308 31.8525 175.3647 839 E 4.7257 7.7415 119.3008 55.9792 30.3335 175.9621 840 M 4.5796 8.9613 124.4059 54.8009 33.2511 175.3328 841 S 5.0583 8.7704 122.2643 57.2258 65.2191 173.0965 842 F 5.0335 8.5492 117.7896 56.2160 41.7246 173.2202 843 R 5.0402 9.5772 118.9586 54.6830 31.7497 176.7995 844 K 4.1707 9.3154 121.1552 57.7186 33.5630 177.4045 845 G 3.8701 8.7386 110.8258 45.3895 0.0000 172.6419 846 E 4.3412 7.6943 119.2131 54.8829 31.3759 175.4600 847 R 4.3700 8.4799 125.0794 55.8988 30.5474 175.1682 848 I 4.3496 8.2406 128.1725 59.9132 39.7149 175.2192 849 T 4.8649 8.3209 122.7279 62.6805 70.4789 173.6980 850 L 4.8955 9.1793 126.3766 53.7708 42.9796 177.2803 851 L 4.1100 9.2058 125.4541 57.3267 41.9458 177.2550 852 R 4.6396 7.8139 116.7798 55.3521 33.8292 172.8688 853 Q 4.0709 8.3064 124.6317 54.7278 29.6372 175.9991 854 V 3.8839 8.0224 119.5844 63.8416 32.3472 175.5852 855 D 4.5261 7.4040 116.8824 52.5686 40.9261 174.2364 856 E 4.0557 8.9887 115.4413 59.3229 29.7523 177.0000 857 N 4.8127 8.5849 114.6297 52.7765 41.3539 174.3013 858 W 5.6669 8.9473 117.9313 54.0545 34.1861 173.6418 859 Y 4.9350 8.1347 117.7746 56.1445 41.5180 174.1998 860 E 4.7150 9.2023 123.2499 55.4777 31.4696 175.4220 861 G 5.1090 9.5607 113.3472 45.5210 0.0000 170.7684 862 R 5.3409 8.9222 115.5404 55.1170 33.6515 173.7086 863 I 4.6966 8.2681 119.3994 58.6319 39.9513 174.1299 864 P 4.2093 0.0000 0.0000 63.7650 31.3423 176.5625 865 G 3.8950 8.9820 111.3518 46.1457 0.0000 172.5804 866 T 4.6555 7.2677 108.7124 59.4302 71.1242 174.6434 867 S 4.2708 8.4349 117.0157 60.1725 63.4872 174.9647 868 R 4.1026 7.7027 120.2785 56.1570 29.6642 175.4409 869 Q 5.0362 8.6258 123.2483 53.9192 32.8245 175.1437 870 G 4.0843 8.0039 109.0268 46.0275 0.0000 171.3070 871 I 5.1691 7.2926 112.9173 59.2366 40.4556 174.8295 872 F 5.3251 8.1465 117.8234 54.3737 41.5717 171.8414 873 P 3.7093 0.0000 0.0000 62.2940 31.8978 177.2096 874 I 3.8428 8.9062 123.4921 64.5740 38.3146 178.1272 875 T 4.0140 8.0388 115.7380 67.0300 68.5626 175.0580 876 Y 4.4731 8.3554 117.6011 59.5772 38.2456 175.7683 877 V 4.6825 7.4538 118.9249 59.5888 33.7973 174.9841 878 D 4.5580 8.7966 123.5410 53.4766 41.7938 175.8735 879 V 4.0074 8.2103 125.0537 62.2637 31.5493 175.7161 880 I 4.0553 8.7089 130.4930 63.3590 37.1611 176.2921 881 K 4.8380 7.9649 120.8996 54.9541 35.6878 174.4556 882 R 5.1330 8.3716 117.8080 53.5480 32.5353 173.5830 883 P 5.3549 0.0000 0.0000 62.3727 32.1554 176.8237 884 L 4.2689 8.4818 122.3349 54.9102 41.9783 176.3699 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 818 G 8.35 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 0.00 0.00 0.00 819 I 8.09 3.60 1.87 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 1.30 0.70 0.92 0.00 0.00 820 D 7.86 4.54 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 821 P 0.00 4.50 0.00 2.32 2.25 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 822 F 8.48 4.50 0.00 3.19 3.15 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 0.00 0.00 0.00 0.00 823 T 7.81 4.56 4.30 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 1.34 0.00 0.00 824 G 8.60 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 825 E 8.61 5.10 0.00 1.86 1.81 0.00 0.00 0.00 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 2.22 0.00 826 A 8.97 5.15 1.04 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 0.00 0.00 827 I 8.15 4.80 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.63 0.81 0.00 0.00 828 A 8.28 4.11 1.10 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 0.00 0.00 0.00 0.00 0.00 829 K 9.24 3.88 0.00 1.45 1.64 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.96 7.81 830 F 7.76 5.26 0.00 2.53 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 831 N 9.08 4.76 0.00 2.71 2.87 0.00 0.00 6.78 7.45 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 0.00 832 F 8.28 4.88 0.00 3.02 1.45 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 0.00 0.00 0.00 0.00 833 N 7.90 4.67 0.00 2.34 2.46 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 G 8.78 3.70 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 0.00 0.00 0.00 835 D 9.03 4.73 0.00 2.69 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 0.00 836 T 8.42 4.65 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 1.22 0.00 0.00 837 Q 8.56 3.97 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.16 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 838 V 7.53 3.75 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 0.82 0.00 0.00 0.89 0.00 0.00 839 E 7.74 4.73 0.00 2.11 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 0.00 2.71 2.20 0.00 840 M 8.96 4.58 0.00 2.41 2.18 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 2.73 2.79 0.00 841 S 8.77 5.06 0.00 3.77 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 0.00 842 F 8.55 5.03 0.00 3.32 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 0.00 843 R 9.58 5.04 0.00 1.86 1.98 0.00 3.38 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 844 K 9.32 4.17 0.00 1.73 1.91 0.00 1.61 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.44 7.81 845 G 8.74 3.87 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 0.00 0.00 0.00 846 E 7.69 4.34 0.00 1.80 1.70 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 2.33 2.43 0.00 847 R 8.48 4.37 0.00 1.75 1.79 0.00 3.17 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 848 I 8.24 4.35 1.41 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.09 0.64 0.00 0.00 849 T 8.32 4.86 4.26 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 1.29 0.00 0.00 850 L 9.18 4.90 0.00 1.85 1.84 0.91 0.63 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 L 9.21 4.11 0.00 1.78 1.78 0.98 1.19 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 0.00 852 R 7.81 4.64 0.00 1.89 1.72 0.00 3.18 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 853 Q 8.31 4.07 0.00 1.10 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.08 1.76 0.00 854 V 8.02 3.88 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 0.70 0.00 0.00 0.90 0.00 0.00 855 D 7.40 4.53 0.00 2.77 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 0.00 856 E 8.99 4.06 0.00 2.09 2.14 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 2.31 2.37 0.00 857 N 8.58 4.81 0.00 2.72 2.29 0.00 0.00 6.91 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 0.00 858 W 8.95 5.67 0.00 3.14 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 0.00 859 Y 8.13 4.93 0.00 2.05 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 0.00 860 E 9.20 4.71 0.00 2.01 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 2.33 2.30 0.00 861 G 9.56 5.11 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 0.00 0.00 0.00 862 R 8.92 5.34 0.00 2.00 2.07 0.00 2.77 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 863 I 8.27 4.70 1.88 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 1.12 0.68 0.89 0.00 0.00 864 P 0.00 4.21 0.00 2.03 2.00 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 865 G 8.98 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 0.00 866 T 7.27 4.66 4.26 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 1.22 0.00 0.00 867 S 8.43 4.27 0.00 3.90 3.97 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 0.00 868 R 7.70 4.10 0.00 1.95 1.97 0.00 3.15 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 869 Q 8.63 5.04 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 870 G 8.00 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 I 7.29 5.17 1.73 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.83 0.00 0.00 872 F 8.15 5.33 0.00 2.98 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.71 0.00 1.77 1.35 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.00 874 I 8.91 3.84 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.86 0.00 0.00 875 T 8.04 4.01 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 876 Y 8.36 4.47 0.00 3.19 3.35 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 0.00 877 V 7.45 4.68 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 0.88 0.00 0.00 0.63 0.00 0.00 878 D 8.80 4.56 0.00 2.49 2.58 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 0.00 0.00 0.00 0.00 879 V 8.21 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 0.81 0.00 0.00 0.67 0.00 0.00 880 I 8.71 4.06 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.90 0.00 0.00 881 K 7.96 4.84 0.00 1.80 1.88 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 882 R 8.37 5.13 0.00 1.98 2.06 0.00 3.16 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 883 P 0.00 5.35 0.00 2.04 2.39 0.00 3.98 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 884 L 8.48 4.27 0.00 1.42 1.22 0.94 0.72 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