NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 774 R 4.2724 8.1127 119.7059 56.4830 31.7108 175.9318 775 D 4.1998 7.7475 117.9838 55.4435 42.5072 172.9179 776 E 4.1653 8.2811 120.8068 58.8083 29.7877 178.5252 777 R 3.9803 7.8826 118.0147 59.0767 30.3343 177.9966 778 L 3.9541 7.4243 120.3655 57.8805 42.0899 179.1313 779 S 4.1715 8.8082 115.1687 61.1957 63.2571 176.3853 780 K 3.9733 8.5032 123.7711 59.2767 31.9029 178.9030 781 I 3.8568 8.1287 120.4393 64.1270 36.9995 178.5150 782 I 3.7905 7.9010 120.8570 64.4878 36.9870 178.3996 783 S 4.5332 8.0536 117.3147 61.5145 62.6900 176.9186 784 M 4.1658 8.1203 120.8531 58.0577 31.5307 178.6886 785 F 4.1852 8.3780 121.2159 61.3785 39.5016 177.2701 786 Q 3.9582 8.8252 117.8883 58.7332 28.4112 178.8304 787 A 3.9512 8.0441 121.9331 55.4849 18.4439 179.1252 788 H 3.8660 8.0500 114.7396 59.2349 28.8326 178.0991 789 I 3.6041 7.2407 121.0256 64.3818 36.9670 178.6699 790 R 4.0641 8.1520 119.0765 58.9586 29.7330 179.3251 791 G 3.5531 8.0787 105.6282 48.0324 0.0000 174.8517 792 Y 4.0122 7.9509 122.8046 60.3189 38.5045 178.5156 793 L 4.1315 7.8067 118.1938 57.8255 42.2031 179.1157 794 I 3.8932 7.7503 119.7128 64.7615 36.9223 178.8718 795 R 3.9852 7.9734 117.1201 58.6708 30.2260 178.8060 796 K 4.0058 8.0309 119.7482 59.4103 32.4156 178.5226 797 A 4.2483 7.8872 119.7032 54.0796 18.3301 178.8110 798 Y 4.0245 7.5900 117.7103 60.9695 39.1026 178.5185 799 K 3.8919 8.1010 118.5800 58.9307 32.1553 179.1356 800 K 3.9646 7.9077 119.8474 59.0020 32.1762 178.4934 801 L 3.8919 7.6547 119.0014 58.0482 41.1175 179.5999 802 Q 3.8332 7.6637 117.6575 59.0493 28.6662 178.6600 803 D 4.3252 7.8748 119.4689 57.4095 40.7470 178.7632 804 Q 4.0541 7.9347 118.3822 58.2751 28.7765 178.2051 805 R 3.8343 8.2640 120.5232 59.5305 30.0145 178.5802 806 I 3.7386 7.4836 118.8431 64.3359 37.0225 178.5596 807 G 3.6247 7.9030 106.3779 47.9002 0.0000 175.4357 808 L 4.0605 8.2250 122.8918 57.4146 41.9895 179.2846 809 S 4.0455 8.0137 115.4505 61.6046 62.7426 176.3759 810 V 3.5437 7.7908 120.8881 66.3189 31.0838 178.2219 811 I 3.7003 7.5506 118.9419 64.5359 36.6210 178.4565 812 Q 4.0313 8.3388 119.4304 58.7843 28.5066 178.8622 813 R 4.1332 8.2788 117.0549 58.7473 29.6789 178.4462 814 N 4.4376 7.9979 117.0157 55.7680 38.5785 177.4067 815 I 3.7675 7.7462 121.4256 64.5257 37.1744 178.6835 816 R 3.9855 7.7950 117.6942 59.1154 29.8063 179.0393 817 K 3.8765 8.0911 118.4242 59.2299 31.9427 179.1542 818 W 4.1170 8.0033 128.2673 60.5406 30.5045 177.9731 819 L 3.6222 8.1394 117.8420 57.7489 41.3832 179.4822 820 V 3.6885 7.7621 118.0613 65.9664 31.4999 177.9023 821 L 3.9561 8.0098 120.1401 58.0482 41.6205 178.8381 822 R 4.2567 7.7939 116.7431 57.7087 30.0150 176.8607 823 N 4.9146 7.6549 113.8787 52.3984 39.5226 174.5207 824 W 4.7409 8.3586 130.3419 56.7617 31.9127 176.5320 825 Q 3.8224 8.7546 125.8280 59.0053 28.1495 179.0235 826 W 3.8656 6.7375 119.0621 59.2043 28.8886 178.1309 827 W 4.0063 7.8515 127.5579 60.5477 30.1378 177.6728 828 K 3.8285 8.1447 117.2140 59.5890 31.8331 178.7850 829 L 3.9243 8.1508 120.5150 58.3563 42.2456 178.0231 830 Y 4.0752 8.4873 119.7681 61.2237 38.3117 178.6611 831 S 3.8120 7.9531 115.0725 61.0118 62.8972 176.2874 832 K 4.0627 7.6438 120.2095 58.1884 31.9984 178.4924 833 V 3.9108 7.3342 116.6705 63.3425 31.5577 177.5383 834 K 3.5957 7.2159 117.4536 59.4077 32.2982 176.3524 835 P 4.3458 0.0000 0.0000 65.5517 31.4375 178.6365 836 L 4.1277 7.1161 116.4256 56.9173 41.7735 177.2334 837 L 4.1387 7.2130 122.0672 54.9444 41.4271 176.6983 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 774 R 8.11 4.27 0.00 1.93 1.99 0.00 3.11 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 775 D 7.75 4.20 0.00 2.85 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 0.00 776 E 8.28 4.17 0.00 2.07 1.96 0.00 0.00 0.00 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 2.26 0.00 777 R 7.88 3.98 0.00 1.92 1.90 0.00 3.23 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 778 L 7.42 3.95 0.00 1.72 1.79 0.90 0.85 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 8.81 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 0.00 780 K 8.50 3.97 0.00 1.88 1.86 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 781 I 8.13 3.86 1.99 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 0.67 0.92 0.00 0.00 782 I 7.90 3.79 2.02 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 1.85 0.79 1.01 0.00 0.00 783 S 8.05 4.53 0.00 4.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 784 M 8.12 4.17 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 785 F 8.38 4.19 0.00 3.28 3.28 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 0.00 786 Q 8.83 3.96 0.00 2.35 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 2.41 2.48 0.00 787 A 8.04 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 0.00 788 H 8.05 3.87 0.00 3.19 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 I 7.24 3.60 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.79 0.00 0.00 790 R 8.15 4.06 0.00 1.84 1.97 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 791 G 8.08 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 0.00 0.00 0.00 792 Y 7.95 4.01 0.00 3.15 3.03 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 0.00 0.00 0.00 0.00 793 L 7.81 4.13 0.00 1.91 1.77 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 794 I 7.75 3.89 1.99 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 1.79 1.29 0.93 0.00 0.00 795 R 7.97 3.99 0.00 1.66 1.89 0.00 3.05 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 796 K 8.03 4.01 0.00 1.94 2.06 0.00 1.47 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.53 7.81 797 A 7.89 4.25 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 0.00 0.00 798 Y 7.59 4.02 0.00 3.28 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 8.10 3.89 0.00 1.88 1.82 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.60 7.81 800 K 7.91 3.96 0.00 1.80 1.77 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 801 L 7.65 3.89 0.00 1.81 1.58 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 802 Q 7.66 3.83 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.00 1.72 0.00 803 D 7.87 4.33 0.00 2.67 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 0.00 804 Q 7.93 4.05 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 805 R 8.26 3.83 0.00 1.89 2.04 0.00 3.06 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 1.60 1.65 0.00 806 I 7.48 3.74 2.08 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 1.42 0.53 0.88 0.00 0.00 807 G 7.90 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 L 8.23 4.06 0.00 1.74 1.65 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 809 S 8.01 4.05 0.00 4.11 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 0.00 810 V 7.79 3.54 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 1.00 0.00 0.00 0.99 0.00 0.00 811 I 7.55 3.70 1.97 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 1.48 0.48 0.88 0.00 0.00 812 Q 8.34 4.03 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 813 R 8.28 4.13 0.00 2.02 2.16 0.00 2.74 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 814 N 8.00 4.44 0.00 2.86 2.85 0.00 0.00 6.89 8.65 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 0.00 815 I 7.75 3.77 1.91 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 1.42 0.82 1.05 0.00 0.00 816 R 7.80 3.99 0.00 2.16 1.99 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 817 K 8.09 3.88 0.00 1.96 1.83 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.65 7.81 818 W 8.00 4.12 0.00 3.20 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 0.00 819 L 8.14 3.62 0.00 1.80 1.68 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 820 V 7.76 3.69 2.22 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 0.88 0.00 0.00 0.90 0.00 0.00 821 L 8.01 3.96 0.00 1.68 1.51 0.78 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 822 R 7.79 4.26 0.00 1.64 1.72 0.00 2.21 0.00 0.00 2.61 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.00 823 N 7.65 4.91 0.00 2.68 2.85 0.00 0.00 6.91 7.98 0.00 0.00 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 8.36 4.74 0.00 3.52 3.54 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 0.00 825 Q 8.75 3.82 0.00 1.71 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 826 W 6.74 3.87 0.00 1.78 2.28 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 0.00 827 W 7.85 4.01 0.00 4.13 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 8.14 3.83 0.00 1.86 1.83 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.74 7.81 829 L 8.15 3.92 0.00 1.49 1.75 0.83 0.76 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 0.00 830 Y 8.49 4.08 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.81 0.00 3.75 3.77 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 0.00 832 K 7.64 4.06 0.00 1.65 1.78 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 833 V 7.33 3.91 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 1.02 0.00 0.00 0.92 0.00 0.00 834 K 7.22 3.60 0.00 1.69 1.65 0.00 1.55 0.00 0.00 1.41 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 1.18 7.81 835 P 0.00 4.35 0.00 2.11 2.05 0.00 3.50 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 836 L 7.12 4.13 0.00 1.57 1.69 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 837 L 7.21 4.14 0.00 1.69 1.56 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00