NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 770 L 4.3148 8.0427 120.6285 54.7382 42.7672 178.6522 771 E 3.9543 9.3048 133.8528 58.3396 30.0993 172.6607 772 E 3.9027 8.8960 120.6908 59.6038 30.1630 177.9404 773 M 4.1629 8.1065 118.2408 58.2600 32.0301 178.4081 774 R 3.8611 7.6079 117.3623 59.6799 30.3021 178.2206 775 D 4.3658 8.0125 118.4359 57.5644 40.8550 178.8066 776 E 3.9898 8.3714 119.0832 59.4286 29.3596 179.4419 777 R 3.9688 8.3090 118.9580 59.0594 30.1382 178.2827 778 L 3.9308 8.0000 120.5067 58.0681 42.0800 178.9323 779 S 4.1202 8.1669 113.2862 61.0749 62.3121 176.0776 780 K 3.9763 8.1481 122.4669 59.4876 31.8859 178.8395 781 I 3.7444 8.0400 120.3609 64.5169 36.9607 178.4198 782 I 3.7800 7.8787 120.5102 64.6948 36.9720 178.7692 783 S 4.9992 8.0879 117.2004 61.3697 62.5238 176.7076 784 M 4.1364 8.5644 122.1057 58.1624 31.6476 178.4859 785 F 4.3137 8.6466 121.1910 61.5793 39.6040 177.2176 786 Q 3.8725 8.6451 117.7595 58.7008 28.4294 178.8328 787 A 3.9306 7.9776 121.9149 55.4523 18.3763 179.1238 788 H 3.9866 8.4279 115.1428 59.1960 28.6866 178.0358 789 I 3.5128 7.5815 121.2396 64.3487 36.9383 178.5489 790 R 3.9945 8.3171 119.4113 59.3049 29.8559 178.8682 791 G 3.8063 8.4805 105.6507 48.2750 0.0000 174.5147 792 Y 4.0125 8.2665 122.5936 60.2605 38.5570 178.3511 793 L 4.1522 8.1164 118.3414 58.1129 42.1289 179.4811 794 I 3.9149 7.8224 119.4292 64.5854 36.8778 178.8476 795 R 3.9575 8.2185 118.9787 58.9857 29.5685 179.0560 796 K 3.9115 8.0910 118.7529 58.8501 32.5586 177.9641 797 A 4.3348 7.8122 119.0742 52.9492 18.8135 178.5002 798 Y 3.9978 7.5884 118.9907 60.4813 38.8221 177.9801 799 K 3.7835 8.0725 119.9973 59.4294 32.4015 178.4586 800 K 3.8623 7.9604 119.3889 59.2676 32.1033 178.3659 801 L 3.8904 7.6645 120.6520 58.1300 41.8746 178.9883 802 Q 3.8040 7.7293 117.9269 59.0277 28.6007 178.5192 803 D 4.3182 8.2293 120.1358 57.5512 40.7740 178.9356 804 Q 4.0064 8.5955 118.7764 58.3665 28.5806 178.6207 805 R 3.8307 7.8868 120.1621 59.4307 30.0625 178.4910 806 I 3.7494 7.4967 119.7381 64.3397 37.1185 178.4384 807 G 3.6900 8.1124 106.4610 47.9957 0.0000 175.4373 808 L 3.9827 8.2377 123.4058 57.5797 42.0967 178.9462 809 S 4.0909 8.2241 115.4062 61.6987 62.8516 176.7815 810 V 3.5906 8.0124 120.9135 66.1608 31.2435 178.1413 811 I 3.7055 7.8600 119.3174 64.5655 36.9665 178.5489 812 Q 4.0180 8.4557 119.3342 58.8442 28.4473 178.8407 813 R 3.8797 8.0923 119.7383 59.5370 30.2126 178.3119 814 N 4.3553 8.2478 116.3071 56.2930 38.4748 177.5010 815 I 3.8828 7.8797 121.2032 64.4800 36.7387 178.6492 816 R 3.9419 8.1737 118.8586 59.2251 29.9115 179.1132 817 K 3.8400 8.3526 118.5864 59.2406 32.0801 178.9999 818 W 4.0113 8.2272 128.3453 60.6225 30.4289 177.9903 819 L 3.2654 7.8493 117.3238 57.1940 40.9664 179.2478 820 V 3.7193 7.0670 116.9591 64.7916 32.0228 177.1936 821 L 4.4879 7.5287 117.9753 56.3314 40.6327 178.6994 822 R 4.1847 7.6136 116.4787 58.7129 29.4543 177.1513 823 N 4.8624 8.0812 113.1496 52.5980 39.3299 174.3350 824 W 4.8897 8.2503 130.2708 56.3610 32.0925 176.5381 825 Q 3.8699 8.7646 127.3034 59.0509 28.5225 177.9121 826 W 3.9585 7.1583 119.3926 59.5279 28.8559 178.1501 827 W 4.3171 7.5003 127.3959 60.4659 30.0123 177.9339 828 K 3.5731 8.0120 118.4524 59.2515 31.3931 178.7630 829 L 3.8151 7.8109 120.3946 58.3130 42.0340 178.0639 830 Y 3.9461 8.2691 119.3446 61.0267 38.4934 178.4248 831 A 3.7169 7.5405 119.7112 54.2810 18.3169 179.4059 832 K 3.9658 7.0948 116.5239 59.3607 32.6351 179.2773 833 V 3.5782 7.7799 118.6828 65.4705 31.3057 177.7968 834 K 3.6181 7.7028 119.5379 59.2411 31.7798 177.0264 835 P 4.2606 0.0000 0.0000 65.1822 31.3509 177.7718 836 L 4.1343 7.3880 114.9361 55.2212 41.7548 176.9531 837 L 4.0982 7.7235 124.6316 54.8303 42.2005 173.8255 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 770 L 8.04 4.31 0.00 1.77 1.31 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 771 E 9.30 3.95 0.00 2.11 1.93 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 2.37 2.42 0.00 772 E 8.90 3.90 0.00 2.07 1.93 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 2.52 2.40 0.00 773 M 8.11 4.16 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 774 R 7.61 3.86 0.00 1.92 2.13 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 775 D 8.01 4.37 0.00 2.92 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 0.00 776 E 8.37 3.99 0.00 2.01 2.00 0.00 0.00 0.00 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 2.38 0.00 777 R 8.31 3.97 0.00 1.87 2.09 0.00 3.10 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 778 L 8.00 3.93 0.00 1.81 1.89 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 779 S 8.17 4.12 0.00 4.13 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 0.00 780 K 8.15 3.98 0.00 1.89 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 781 I 8.04 3.74 2.01 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 1.54 0.76 0.91 0.00 0.00 782 I 7.88 3.78 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 1.02 0.00 0.00 783 S 8.09 5.00 0.00 4.05 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 8.56 4.14 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 785 F 8.65 4.31 0.00 3.09 3.27 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 0.00 0.00 0.00 786 Q 8.65 3.87 0.00 2.28 2.13 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 2.41 2.59 0.00 787 A 7.98 3.93 1.37 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 0.00 788 H 8.43 3.99 0.00 3.23 3.19 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 7.58 3.51 1.80 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.11 0.78 0.00 0.00 790 R 8.32 3.99 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 791 G 8.48 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 0.00 0.00 0.00 792 Y 8.27 4.01 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 793 L 8.12 4.15 0.00 1.92 1.78 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 794 I 7.82 3.91 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.26 0.95 0.00 0.00 795 R 8.22 3.96 0.00 1.83 1.87 0.00 3.02 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 796 K 8.09 3.91 0.00 1.67 2.12 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.53 7.81 797 A 7.81 4.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.00 0.00 3.04 3.08 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 0.00 799 K 8.07 3.78 0.00 1.93 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.53 7.81 800 K 7.96 3.86 0.00 1.84 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 801 L 7.66 3.89 0.00 1.95 1.52 0.90 0.74 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 0.00 802 Q 7.73 3.80 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 803 D 8.23 4.32 0.00 2.78 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 0.00 804 Q 8.60 4.01 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 805 R 7.89 3.83 0.00 1.91 2.07 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 806 I 7.50 3.75 2.00 0.00 0.00 0.83 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 0.52 0.89 0.00 0.00 807 G 8.11 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 0.00 0.00 0.00 808 L 8.24 3.98 0.00 1.74 1.65 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 809 S 8.22 4.09 0.00 4.05 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 0.00 810 V 8.01 3.59 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 1.03 0.00 0.00 0.99 0.00 0.00 811 I 7.86 3.71 1.98 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 1.50 0.75 0.90 0.00 0.00 812 Q 8.46 4.02 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 813 R 8.09 3.88 0.00 1.88 2.11 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 814 N 8.25 4.36 0.00 2.94 2.85 0.00 0.00 7.08 6.78 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 0.00 815 I 7.88 3.88 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 1.13 0.00 0.00 816 R 8.17 3.94 0.00 2.08 1.96 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 817 K 8.35 3.84 0.00 1.85 1.77 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.56 7.81 818 W 8.23 4.01 0.00 3.28 3.50 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 0.00 819 L 7.85 3.27 0.00 1.68 1.51 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 820 V 7.07 3.72 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 0.65 0.00 0.00 0.81 0.00 0.00 821 L 7.53 4.49 0.00 2.08 1.74 0.43 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 822 R 7.61 4.18 0.00 1.96 1.63 0.00 2.63 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.41 0.00 823 N 8.08 4.86 0.00 2.74 2.91 0.00 0.00 6.81 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 0.00 824 W 8.25 4.89 0.00 3.43 3.44 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 0.00 825 Q 8.76 3.87 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 826 W 7.16 3.96 0.00 1.78 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 0.00 0.00 0.00 0.00 827 W 7.50 4.32 0.00 3.73 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 0.00 828 K 8.01 3.57 0.00 2.06 1.76 0.00 1.99 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.62 7.81 829 L 7.81 3.82 0.00 1.57 1.79 0.82 0.60 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 8.27 3.95 0.00 3.29 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 0.00 831 A 7.54 3.72 0.29 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 0.00 832 K 7.09 3.97 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 833 V 7.78 3.58 1.93 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 0.84 0.00 0.00 0.90 0.00 0.00 834 K 7.70 3.62 0.00 1.80 1.69 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.39 7.81 835 P 0.00 4.26 0.00 2.01 2.06 0.00 3.71 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 1.96 2.13 0.00 836 L 7.39 4.13 0.00 1.59 1.66 0.86 0.85 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 0.00 837 L 7.72 4.10 0.00 1.66 1.99 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00