NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 818 K 4.2453 8.3149 121.7864 55.8706 33.6844 176.5772 819 E 4.2199 7.6642 119.4184 54.8178 28.0740 173.2232 820 E 4.0505 8.3451 122.3405 58.7909 31.3039 177.1567 821 V 4.6989 9.4246 116.3122 60.3710 35.8010 174.4845 822 T 5.5817 8.3473 116.6613 61.0378 71.2990 173.9566 823 I 4.2273 8.3311 128.0789 59.5899 38.7056 175.1027 824 K 4.6745 8.5508 127.8284 56.1636 33.4860 176.4555 825 V 4.7896 9.3441 124.8613 61.1159 35.2622 174.1057 826 N 5.0129 8.8895 125.5507 52.1013 39.7026 174.3912 827 L 4.1462 8.6430 125.6050 54.5773 43.1889 176.4633 828 I 4.6933 8.5119 124.6735 59.9957 39.7808 175.0878 829 F 4.5790 8.9857 127.6577 55.8858 41.0604 175.0317 830 A 3.9464 9.2747 119.9937 57.0207 18.4435 178.4952 831 D 4.7707 7.9600 115.3321 53.3686 39.9594 177.8065 832 G 3.9711 9.0194 107.6334 46.8675 0.0000 174.7457 833 K 3.9799 7.9924 119.2490 57.1597 33.4297 175.7308 834 I 5.2361 8.2410 122.4281 59.8127 40.4665 174.7642 835 Q 4.9468 9.0215 124.8437 54.4553 32.7804 174.3600 836 T 5.2407 8.1864 108.7059 60.6146 71.7406 173.0900 837 A 4.6412 9.0065 124.9722 50.3558 22.8246 174.7488 838 E 5.1113 8.4485 119.4782 54.6093 32.6026 175.4175 839 F 5.1964 8.6451 120.5941 55.2504 42.4980 174.6571 840 K 4.4882 8.2145 123.4860 57.0177 32.6474 175.2584 841 G 3.8429 8.2019 113.3155 44.7339 0.0000 172.8498 842 T 4.2999 8.5537 119.0702 62.9826 70.7265 174.9131 843 F 3.7530 8.8913 126.0865 61.4547 39.2544 177.3475 844 E 4.2214 8.1772 115.9351 58.5656 30.1934 177.9311 845 E 3.9266 8.0841 119.4458 58.5424 29.6864 178.3376 846 A 3.9077 8.1011 121.2809 55.5381 18.4506 179.4847 847 T 3.2849 7.4934 113.6463 66.6102 68.4406 176.4554 848 A 4.0836 7.4814 122.3817 54.8331 18.8254 179.3459 849 E 3.9229 8.3753 117.2867 59.2815 29.4713 179.2258 850 A 2.8418 7.5611 121.1047 55.2771 18.3683 179.3133 851 Y 4.1415 7.2191 114.0311 60.4809 37.6618 178.2910 852 R 4.1344 8.0248 118.9147 58.8554 30.4571 177.7694 853 Y 4.3595 8.7783 119.8294 60.6032 38.8801 177.6373 854 A 3.6892 8.5360 121.8800 55.6626 18.0607 179.4226 855 D 4.4640 7.7226 115.7945 57.2354 41.2714 178.2913 856 L 4.1262 8.1551 121.3254 58.2197 41.9823 179.1323 857 L 3.9319 7.7554 118.2302 57.5146 41.5290 178.7298 858 A 4.6672 8.6041 122.5544 54.8042 17.9725 179.7249 859 K 3.9170 7.7468 115.6805 59.3532 32.1884 178.9943 860 V 4.0218 7.6414 116.2787 65.1050 32.3062 176.8126 861 N 4.7712 9.1040 114.6986 54.2085 39.1940 176.7982 862 G 4.0916 8.7969 111.2013 45.1580 0.0000 172.8987 863 E 4.5901 8.4697 117.8551 56.5428 31.0168 175.6055 864 Y 5.5786 7.9108 119.4333 54.7276 41.9647 173.1485 865 T 4.6616 8.1322 108.1980 60.7617 72.7017 172.0140 866 W 5.3232 8.0217 116.9244 56.2564 30.2367 173.3173 867 D 5.0493 8.9641 119.1097 51.9775 42.4240 174.1835 868 L 5.1048 8.7695 120.3805 53.4732 44.3127 175.4234 869 E 4.6611 8.6786 119.5618 54.8035 34.6906 174.2561 870 D 4.2436 9.4452 118.2797 55.6884 39.3651 174.5662 871 G 3.8744 8.5859 101.6258 46.2954 0.0000 173.9022 872 G 4.1009 8.4297 104.9648 46.0860 0.0000 174.3616 873 N 4.9064 8.5105 115.3582 53.1206 39.1617 174.1906 874 H 5.2498 8.0425 118.2214 54.9385 34.0696 171.7002 875 M 5.0313 8.3099 121.8687 54.3172 36.3556 172.9873 876 N 5.4185 8.8141 122.0255 51.5540 42.3534 173.5665 877 I 5.1949 8.3367 121.7025 59.6192 41.5624 174.2406 878 K 5.0740 9.2752 126.8688 54.7885 34.3013 175.6639 879 F 5.0355 9.3659 124.2033 56.7882 40.0743 175.9160 880 A 4.4757 8.6614 122.4736 51.3521 19.7601 177.6874 881 G 4.0750 8.0185 102.8847 46.3667 0.0000 174.1531 882 K 4.1757 8.6701 118.8733 56.7881 32.3397 175.0979 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 K 8.31 4.25 0.00 1.69 1.88 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.52 7.81 819 E 7.66 4.22 0.00 2.12 1.89 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 2.35 2.33 0.00 820 E 8.35 4.05 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 2.34 2.27 0.00 821 V 9.42 4.70 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 0.81 0.00 0.00 1.07 0.00 0.00 822 T 8.35 5.58 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 1.33 0.00 0.00 823 I 8.33 4.23 1.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.48 0.66 0.00 0.00 824 K 8.55 4.67 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.73 1.47 7.81 825 V 9.34 4.79 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 1.02 0.00 0.00 1.08 0.00 0.00 826 N 8.89 5.01 0.00 2.97 2.82 0.00 0.00 6.76 6.30 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 0.00 827 L 8.64 4.15 0.00 1.79 1.44 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 828 I 8.51 4.69 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 1.02 0.00 0.00 829 F 8.99 4.58 0.00 2.80 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 0.00 830 A 9.27 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 0.00 831 D 7.96 4.77 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.02 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 0.00 0.00 0.00 833 K 7.99 3.98 0.00 1.45 1.60 0.00 1.42 0.00 0.00 1.35 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.70 7.81 834 I 8.24 5.24 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.97 0.00 0.00 835 Q 9.02 4.95 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 836 T 8.19 5.24 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 1.24 0.00 0.00 837 A 9.01 4.64 1.05 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 0.00 0.00 838 E 8.45 5.11 0.00 1.71 1.80 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 2.17 2.22 0.00 839 F 8.65 5.20 0.00 2.70 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 0.00 840 K 8.21 4.49 0.00 1.78 1.84 0.00 1.11 0.00 0.00 2.36 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.37 7.81 841 G 8.20 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 0.00 842 T 8.55 4.30 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 1.37 0.00 0.00 843 F 8.89 3.75 0.00 3.29 3.21 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 0.00 844 E 8.18 4.22 0.00 2.23 2.27 0.00 0.00 0.00 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 2.35 0.00 845 E 8.08 3.93 0.00 2.10 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 2.37 2.58 0.00 846 A 8.10 3.91 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 0.00 847 T 7.49 3.28 4.09 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 0.00 0.00 1.21 0.00 0.00 848 A 7.48 4.08 1.33 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 0.00 0.00 849 E 8.38 3.92 0.00 1.96 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 2.35 2.38 0.00 850 A 7.56 2.84 0.38 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 0.00 851 Y 7.22 4.14 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.13 0.00 1.94 2.04 0.00 3.20 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 853 Y 8.78 4.36 0.00 3.18 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 0.00 854 A 8.54 3.69 0.37 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 0.00 0.00 0.00 855 D 7.72 4.46 0.00 2.94 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 0.00 856 L 8.16 4.13 0.00 1.90 1.89 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 857 L 7.76 3.93 0.00 1.92 1.46 0.51 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 858 A 8.60 4.67 1.54 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 0.00 0.00 859 K 7.75 3.92 0.00 1.88 1.93 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.73 7.81 860 V 7.64 4.02 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 0.93 0.00 0.00 0.96 0.00 0.00 861 N 9.10 4.77 0.00 2.92 2.81 0.00 0.00 6.96 6.84 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 0.00 862 G 8.80 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 863 E 8.47 4.59 0.00 1.89 1.79 0.00 0.00 0.00 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 2.20 0.00 864 Y 7.91 5.58 0.00 2.73 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 0.00 0.00 0.00 865 T 8.13 4.66 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 1.06 0.00 0.00 866 W 8.02 5.32 0.00 3.26 3.22 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 0.00 0.00 0.00 867 D 8.96 5.05 0.00 2.89 2.81 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 0.00 0.00 0.00 868 L 8.77 5.10 0.00 1.67 1.73 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 869 E 8.68 4.66 0.00 1.97 1.82 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 2.31 2.38 0.00 870 D 9.45 4.24 0.00 2.87 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 0.00 871 G 8.59 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 0.00 872 G 8.43 4.10 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 0.00 873 N 8.51 4.91 0.00 3.05 2.96 0.00 0.00 6.56 7.89 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 0.00 874 H 8.04 5.25 0.00 3.22 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 M 8.31 5.03 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 876 N 8.81 5.42 0.00 2.75 2.76 0.00 0.00 6.61 6.88 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 0.00 877 I 8.34 5.19 1.93 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 1.23 1.46 0.71 0.00 0.00 878 K 9.28 5.07 0.00 1.75 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 879 F 9.37 5.04 0.00 2.70 3.17 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 0.00 0.00 0.00 880 A 8.66 4.48 1.33 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 0.00 0.00 881 G 8.02 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 0.00 882 K 8.67 4.18 0.00 1.88 1.79 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.51 7.81