NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 798 I 3.9929 8.0249 121.4370 60.1692 37.9919 175.3193 799 P 4.1319 0.0000 0.0000 61.6596 31.9703 176.0742 800 A 3.9646 8.4923 123.6185 55.0768 19.3863 179.9511 801 W 4.2158 8.2125 111.1674 58.8754 28.2535 176.5220 802 A 4.1620 6.6867 120.6579 51.2319 18.5859 176.4037 803 S 4.5666 7.5976 111.8092 58.6087 67.2403 175.2298 804 G 3.8545 8.3879 109.6595 47.2595 0.0000 176.1982 805 N 4.3670 8.7357 119.1329 56.4523 38.9696 176.6371 806 L 4.0354 7.9056 120.0934 57.5269 41.6446 179.1422 807 L 4.0948 7.6123 119.4742 58.5256 42.0710 178.7500 808 T 3.8896 7.6573 115.2696 66.9287 68.4305 176.0134 809 Q 3.9779 8.4492 121.0966 59.3356 29.0837 178.3490 810 A 4.0562 8.0162 121.4372 55.1585 18.3879 179.7441 811 I 3.6934 8.1716 118.6367 64.4748 37.2440 178.5002 812 R 3.9716 8.2851 119.7734 59.8278 29.9278 178.5511 813 Q 4.1766 8.4053 117.7647 59.0696 28.4291 178.6906 814 Q 4.0133 7.9793 120.0168 59.0528 29.1424 177.2708 815 Y 4.0558 7.8720 119.9831 60.8488 38.9781 177.0905 816 Y 4.4551 7.8796 115.4407 58.5169 39.5636 176.0321 817 K 4.6260 7.8771 119.0013 53.4424 32.2413 173.6510 818 P 4.4240 0.0000 0.0000 62.4697 32.3966 177.0981 819 I 4.1589 7.9299 120.8401 59.9959 39.3874 176.3013 820 D 4.6038 8.1512 123.6297 53.8417 39.4309 176.8639 821 V 3.8731 8.0081 119.1090 63.7856 31.9920 177.4371 822 D 4.3876 8.1418 118.5735 57.0638 40.4543 178.4075 823 R 4.3380 8.1814 119.6427 58.6306 30.4220 177.9043 824 M 3.9369 8.1585 117.0991 57.8512 31.9071 176.3655 825 Y 4.7355 8.0847 114.4208 58.6842 40.8129 177.1151 826 G 3.7776 8.1570 105.0262 46.0852 0.0000 173.8694 827 T 4.3947 7.6096 115.9088 64.1328 70.2834 174.9412 828 I 4.0058 7.0337 121.8410 60.8346 37.6191 175.7507 829 D 4.5163 8.6423 124.4195 54.6386 41.2926 176.0485 830 S 4.8557 8.1943 116.5903 55.2679 65.7897 172.1597 831 P 4.3753 0.0000 0.0000 62.3429 31.9474 176.4464 832 K 4.0751 8.4244 121.0945 56.5010 32.8366 178.3304 833 L 4.2512 8.6121 122.5713 57.7756 41.7449 178.7813 834 E 4.1967 8.1509 117.3497 57.7618 30.0999 176.7113 835 E 4.4357 8.5263 117.7458 57.5729 30.3971 178.0455 836 L 4.0480 7.3955 117.7813 57.3008 41.6967 178.0172 837 F 4.6260 8.2319 114.1497 57.1055 39.4470 175.1250 838 N 5.2913 7.9898 120.5233 51.5810 40.7735 174.5871 839 K 4.1315 8.5997 118.6322 57.5163 32.8254 177.0822 840 S 4.3633 8.4683 115.3270 58.4726 63.1125 173.9403 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 798 I 8.02 3.99 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 1.31 0.96 0.71 0.00 0.00 799 P 0.00 4.13 0.00 1.55 2.01 0.00 3.25 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 800 A 8.49 3.96 1.34 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 0.00 801 W 8.21 4.22 0.00 3.52 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 0.00 802 A 6.69 4.16 -0.04 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 0.00 803 S 7.60 4.57 0.00 3.86 3.78 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 0.00 804 G 8.39 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 0.00 0.00 0.00 805 N 8.74 4.37 0.00 2.81 2.83 0.00 0.00 6.93 6.66 0.00 0.00 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 L 7.91 4.04 0.00 1.86 1.80 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 807 L 7.61 4.09 0.00 2.10 1.83 1.10 0.81 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 0.00 808 T 7.66 3.89 4.38 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 1.23 0.00 0.00 809 Q 8.45 3.98 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 810 A 8.02 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 811 I 8.17 3.69 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.83 0.93 0.00 0.00 812 R 8.29 3.97 0.00 1.96 2.19 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 813 Q 8.41 4.18 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 814 Q 7.98 4.01 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 815 Y 7.87 4.06 0.00 2.84 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 0.00 816 Y 7.88 4.46 0.00 3.12 3.01 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 0.00 0.00 0.00 817 K 7.88 4.63 0.00 1.93 1.74 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 818 P 0.00 4.42 0.00 2.13 1.96 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 819 I 7.93 4.16 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.94 0.00 0.00 820 D 8.15 4.60 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.87 2.26 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 1.01 0.00 0.00 0.97 0.00 0.00 822 D 8.14 4.39 0.00 2.85 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 0.00 823 R 8.18 4.34 0.00 1.76 1.98 0.00 3.07 0.00 0.00 2.95 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 824 M 8.16 3.94 0.00 1.09 1.95 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 825 Y 8.08 4.74 0.00 3.22 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 0.00 826 G 8.16 3.78 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 0.00 0.00 0.00 827 T 7.61 4.39 4.31 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 1.20 0.00 0.00 828 I 7.03 4.01 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.34 0.94 0.00 0.00 829 D 8.64 4.52 0.00 2.67 2.61 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 0.00 830 S 8.19 4.86 0.00 3.93 3.81 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 0.00 831 P 0.00 4.38 0.00 2.18 2.08 0.00 3.77 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 1.97 1.96 0.00 832 K 8.42 4.08 0.00 1.81 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.43 7.81 833 L 8.61 4.25 0.00 1.73 1.77 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 834 E 8.15 4.20 0.00 1.95 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 2.32 2.35 0.00 835 E 8.53 4.44 0.00 2.21 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 2.28 2.28 0.00 836 L 7.40 4.05 0.00 1.89 1.48 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 837 F 8.23 4.63 0.00 3.02 3.07 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 0.00 838 N 7.99 5.29 0.00 2.79 2.79 0.00 0.00 6.90 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 0.00 839 K 8.60 4.13 0.00 1.75 1.75 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 840 S 8.47 4.36 0.00 3.93 3.78 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