NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 777 R 4.2654 8.1127 120.8603 56.3863 32.3031 177.1055 778 L 3.7271 7.9926 118.9593 58.1344 41.9598 177.5882 779 S 4.1400 8.2720 114.6249 61.3160 62.6398 176.0733 780 K 4.0293 7.9245 122.1750 59.2959 32.1131 178.8955 781 I 3.6419 7.7999 120.2564 64.4419 37.0229 178.1861 782 I 3.8108 7.9593 120.7484 64.8516 36.9291 178.6513 783 S 4.7381 7.9553 116.7342 61.2795 62.6248 176.5204 784 M 4.2117 7.7899 121.1848 57.7853 31.6399 178.6482 785 F 4.1755 8.2269 120.8247 61.4997 39.7901 177.2751 786 Q 3.8979 8.5236 117.6301 58.9177 28.3336 178.8443 787 A 4.0524 8.0690 121.8167 55.0600 18.2791 179.5210 788 H 3.9475 8.0513 115.0272 58.8983 28.8746 177.9336 789 I 3.5144 7.5922 121.6423 64.5553 36.6187 178.6851 790 R 4.0431 8.1914 119.0841 59.3039 29.7268 179.4664 791 G 3.4039 7.8660 105.2924 47.5860 0.0000 175.2075 792 Y 3.9862 8.2914 122.0598 60.7275 39.0753 178.2699 793 L 4.2463 7.9894 118.6208 57.0875 41.7710 179.3138 794 I 3.9593 7.3672 120.0052 63.9950 37.0972 178.2939 795 R 4.0045 7.6170 118.0383 58.6381 30.0396 178.6725 796 K 4.0601 7.8751 119.8024 59.4059 32.4644 178.6982 797 A 4.1340 8.1179 120.4854 54.6284 18.1695 178.8748 798 Y 4.1073 7.7994 118.2269 60.8540 37.3366 178.2778 799 K 3.8278 7.9601 118.9998 59.2088 32.4103 178.5029 800 K 3.9221 7.9079 117.0617 57.2583 31.9374 177.5479 801 L 4.3030 7.5959 118.1071 57.0528 41.0852 178.3938 802 Q 3.8436 7.6026 119.7889 58.5671 28.8822 177.5295 803 D 4.3393 7.4364 119.2723 57.1836 41.1944 178.8044 804 Q 4.1222 7.5609 117.2270 58.6962 28.4847 179.1120 805 R 3.8483 7.6167 119.1496 59.4035 30.0557 178.6184 806 I 4.2073 6.6521 117.9467 63.6802 37.1037 178.6115 807 G 3.6057 8.4790 107.1360 47.6998 0.0000 175.4687 808 L 4.0501 8.1677 123.0929 57.5447 42.2528 179.0882 809 S 4.1656 8.3940 114.8501 61.0970 63.0478 176.7345 810 V 3.5237 8.1928 122.2612 65.7753 31.3393 177.6822 811 I 3.6239 7.7683 119.6292 64.9872 37.0554 178.4548 812 Q 4.0484 8.1429 118.3775 58.7410 28.5030 178.5043 813 R 3.8360 8.1843 119.9831 59.8220 30.0548 178.4788 814 N 4.4297 8.2718 116.0494 56.1796 38.5549 177.6313 815 I 3.9212 7.9340 121.4012 64.1972 36.9841 178.5690 816 R 4.0706 8.0968 119.2165 58.8233 29.7061 178.8789 817 K 3.9499 8.1253 119.8354 58.9409 32.2295 178.8197 818 W 4.1220 8.1335 128.7739 60.5789 30.5675 177.7651 819 L 3.6082 7.8975 117.5491 57.9887 41.3378 179.4741 820 V 3.6825 7.5942 117.7121 66.1130 31.4248 177.7389 821 L 3.9785 7.5662 118.3257 58.3416 41.3924 179.9534 822 R 4.4396 7.6595 114.7549 57.9556 30.0404 177.6559 823 N 4.9758 7.9477 115.2706 51.3870 39.2741 173.7382 824 W 4.8987 7.9815 132.3037 55.5113 32.3725 176.7856 825 Q 3.9039 8.6764 125.1821 58.7752 27.9564 178.9955 826 W 3.8439 6.6287 119.6110 59.0411 28.8992 178.1496 827 W 4.2252 7.0979 128.3927 60.3728 29.9980 178.1115 828 K 3.8211 8.0097 116.8235 59.3145 31.9456 178.4686 829 L 3.9654 7.7870 120.3930 58.3629 42.0188 178.3638 830 Y 4.0184 7.9708 119.4747 60.8442 38.4507 178.2669 831 S 3.7426 7.5319 114.8041 60.6374 62.8067 176.4609 832 K 4.0325 7.3179 120.4890 59.1124 31.8653 179.1679 833 V 3.6461 7.4195 117.3510 65.1553 31.2907 177.8058 834 K 3.7701 7.3804 117.6388 58.1829 31.7490 176.1805 835 P 4.3850 0.0000 0.0000 64.7660 32.1115 176.0120 836 L 4.1383 7.3593 121.7794 54.7710 41.5102 176.4601 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 777 R 8.11 4.27 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 778 L 7.99 3.73 0.00 1.86 1.65 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 779 S 8.27 4.14 0.00 3.91 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 0.00 780 K 7.92 4.03 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.48 7.81 781 I 7.80 3.64 2.02 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 1.80 1.23 0.92 0.00 0.00 782 I 7.96 3.81 2.04 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 1.65 0.93 1.04 0.00 0.00 783 S 7.96 4.74 0.00 4.03 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 0.00 784 M 7.79 4.21 0.00 2.00 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 785 F 8.23 4.18 0.00 3.18 3.24 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 0.00 786 Q 8.52 3.90 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 787 A 8.07 4.05 1.38 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 0.00 788 H 8.05 3.95 0.00 3.26 3.24 0.00 5.82 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 0.00 789 I 7.59 3.51 1.90 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.22 0.78 0.00 0.00 790 R 8.19 4.04 0.00 1.81 1.97 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 791 G 7.87 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 792 Y 8.29 3.99 0.00 3.12 3.04 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 0.00 793 L 7.99 4.25 0.00 1.79 1.75 0.90 0.76 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 0.00 794 I 7.37 3.96 1.86 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 1.73 1.25 0.91 0.00 0.00 795 R 7.62 4.00 0.00 1.63 1.90 0.00 3.04 0.00 0.00 3.02 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 796 K 7.88 4.06 0.00 2.03 1.99 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.56 7.81 797 A 8.12 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 798 Y 7.80 4.11 0.00 3.23 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 0.00 799 K 7.96 3.83 0.00 1.82 1.84 0.00 1.89 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.85 7.81 800 K 7.91 3.92 0.00 1.85 1.91 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.57 7.81 801 L 7.60 4.30 0.00 2.05 1.61 1.03 0.71 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 0.00 802 Q 7.60 3.84 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 803 D 7.44 4.34 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.56 4.12 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 805 R 7.62 3.85 0.00 1.87 2.04 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 806 I 6.65 4.21 2.00 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 1.37 1.56 0.88 0.00 0.00 807 G 8.48 3.61 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 0.00 0.00 0.00 808 L 8.17 4.05 0.00 1.85 1.68 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 809 S 8.39 4.17 0.00 4.06 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 0.00 810 V 8.19 3.52 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 0.99 0.00 0.00 0.95 0.00 0.00 811 I 7.77 3.62 1.99 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 1.49 0.84 0.89 0.00 0.00 812 Q 8.14 4.05 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 813 R 8.18 3.84 0.00 2.12 2.04 0.00 3.07 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 814 N 8.27 4.43 0.00 2.85 2.81 0.00 0.00 7.17 7.48 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 0.00 815 I 7.93 3.92 1.93 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 1.46 1.14 1.12 0.00 0.00 816 R 8.10 4.07 0.00 2.25 1.99 0.00 3.14 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 817 K 8.13 3.95 0.00 2.03 1.82 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 818 W 8.13 4.12 0.00 3.26 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.61 0.00 1.88 1.73 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 820 V 7.59 3.68 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 0.94 0.00 0.00 0.96 0.00 0.00 821 L 7.57 3.98 0.00 1.75 1.53 0.40 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 822 R 7.66 4.44 0.00 1.65 1.96 0.00 2.21 0.00 0.00 2.54 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 823 N 7.95 4.98 0.00 2.93 2.86 0.00 0.00 6.75 7.20 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 0.00 824 W 7.98 4.90 0.00 3.31 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 3.90 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 826 W 6.63 3.84 0.00 1.78 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 0.00 827 W 7.10 4.23 0.00 4.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.82 0.00 1.81 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.62 7.81 829 L 7.79 3.97 0.00 1.69 1.82 0.85 0.68 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 0.00 830 Y 7.97 4.02 0.00 2.97 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.53 3.74 0.00 3.74 3.72 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 0.00 832 K 7.32 4.03 0.00 1.75 1.76 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.48 7.81 833 V 7.42 3.65 2.01 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 1.02 0.00 0.00 0.96 0.00 0.00 834 K 7.38 3.77 0.00 1.56 1.61 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.54 0.26 7.81 835 P 0.00 4.38 0.00 2.13 2.11 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 836 L 7.36 4.14 0.00 1.65 1.58 0.88 0.77 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