NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 763 A 4.3126 8.2493 123.5823 50.1632 19.6772 175.5751 764 D 4.2967 7.3551 122.0807 50.4652 41.8750 176.7111 765 K 3.8083 9.2005 121.4206 60.0290 32.8819 180.4931 766 L 3.9566 7.9847 118.1667 57.7794 41.5163 179.3999 767 R 3.8439 8.4325 118.2877 59.3574 30.0036 178.3995 768 A 3.9308 8.6021 120.4989 55.0879 18.4589 179.2181 769 A 3.9160 8.1692 119.5636 55.6398 18.3836 179.3819 770 C 4.0373 8.2272 117.0276 62.7999 31.6200 175.8950 771 I 4.0061 7.9414 122.9729 63.7816 36.4030 178.3949 772 R 3.9089 8.4553 120.1135 59.3411 29.8946 178.7530 773 I 3.7329 7.7243 119.5262 64.6104 36.6843 178.3702 774 Q 4.0821 8.4573 119.5206 58.8798 28.4833 179.2395 775 K 4.1220 8.1705 119.9078 60.1915 32.7316 179.5465 776 T 3.9717 7.7148 116.8862 66.2811 68.2571 176.9627 777 I 3.9196 7.9170 121.7834 64.5206 37.1517 178.3535 778 R 4.0820 8.2699 119.1930 59.5250 29.8693 179.1157 779 G 3.6053 8.1951 105.1114 47.6100 0.0000 175.1309 780 W 4.4411 8.4409 131.5714 60.1179 30.6416 178.1236 781 L 3.2579 8.2721 118.5816 57.6931 41.0201 179.5831 782 L 3.9680 7.6487 118.6723 57.4873 41.4164 179.4585 783 R 3.8779 8.2880 119.1239 59.3714 30.1713 178.1873 784 K 3.7018 7.8688 119.4251 59.7285 31.9518 178.5654 785 R 3.8120 7.8541 118.6599 59.3603 29.9101 177.7057 786 Y 4.0584 8.2549 119.6712 60.8587 38.8406 177.8895 787 L 3.7626 8.3039 120.1412 58.0586 41.7656 179.2808 788 C 4.0319 7.9175 118.1088 62.8398 31.5549 175.6301 789 M 4.0369 8.0976 120.4392 58.0440 31.4320 178.6651 790 Q 3.7164 7.7796 119.9981 59.1894 29.1755 178.3672 791 R 3.8763 7.9937 118.9103 59.2610 30.0091 178.9344 792 A 3.9452 8.0831 120.2633 54.9183 18.3304 179.5561 793 A 3.9019 8.0461 119.2354 55.5043 18.5305 179.9074 794 I 4.2336 7.6750 119.5994 64.3050 36.9425 178.8828 795 T 3.9621 8.2077 116.7942 66.7156 68.2944 176.9495 796 V 3.7028 8.1445 120.4286 66.1359 31.6414 178.0886 797 Q 4.0699 8.8329 118.4812 58.8803 28.4423 178.9516 798 R 3.9819 8.2858 117.2906 59.4103 29.4555 178.5847 799 Y 4.0089 7.9760 117.5422 60.5270 37.8445 178.2695 800 V 3.9682 8.2178 119.3991 66.3894 31.8831 178.3633 801 R 3.9974 8.2737 117.9112 59.0229 29.9363 179.4330 802 G 3.5837 8.3225 106.0856 47.9985 0.0000 175.4647 803 Y 4.2696 8.4947 121.1518 59.7137 38.0616 178.0445 804 Q 3.2853 7.4820 119.6220 58.2618 28.6219 178.4348 805 A 4.0020 7.7558 121.5645 55.3147 18.4304 179.9577 806 R 3.9483 7.9320 116.1070 59.4326 30.0417 179.1492 807 C 4.2124 8.2049 116.7022 62.9236 28.1098 175.4340 808 Y 4.1701 8.3204 121.1015 60.7945 38.3488 178.0129 809 A 3.8992 8.5178 122.0884 54.8853 18.3398 179.5218 810 K 3.8692 8.0880 118.3237 59.4848 32.2687 178.6933 811 F 4.1045 8.2748 121.0166 61.3687 39.2666 177.0835 812 L 3.5678 7.8318 118.4365 57.7441 40.8657 179.6136 813 R 3.8186 8.1555 118.3412 59.3271 29.7732 179.0761 814 R 3.8342 7.8320 117.6948 59.4245 30.0906 178.1803 815 T 3.9786 7.4453 108.6871 63.3280 68.9540 176.8838 816 K 3.9448 8.2578 124.4925 58.9200 32.0004 178.4230 817 A 3.8546 7.4036 119.8791 55.0394 18.3681 178.2599 818 A 4.1611 7.3348 116.4511 53.7508 18.9897 177.7439 819 T 3.9969 8.0612 115.2790 63.5509 68.8251 174.9333 820 T 4.1647 8.4237 115.8721 61.6835 69.0279 174.3224 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 763 A 8.25 4.31 1.28 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 0.00 0.00 764 D 7.36 4.30 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 765 K 9.20 3.81 0.00 1.81 1.93 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.56 7.81 766 L 7.98 3.96 0.00 1.83 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 767 R 8.43 3.84 0.00 2.03 2.11 0.00 3.10 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 768 A 8.60 3.93 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 769 A 8.17 3.92 1.39 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 0.00 0.00 770 C 8.23 4.04 0.00 3.00 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 0.00 771 I 7.94 4.01 2.06 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 1.39 0.99 0.92 0.00 0.00 772 R 8.46 3.91 0.00 1.84 2.09 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 773 I 7.72 3.73 2.02 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 0.72 0.90 0.00 0.00 774 Q 8.46 4.08 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 775 K 8.17 4.12 0.00 2.02 2.08 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.49 7.81 776 T 7.71 3.97 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 1.20 0.00 0.00 777 I 7.92 3.92 1.95 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 1.53 0.70 1.09 0.00 0.00 778 R 8.27 4.08 0.00 1.99 2.03 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 779 G 8.20 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 0.00 780 W 8.44 4.44 0.00 3.46 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 L 8.27 3.26 0.00 1.83 1.54 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 782 L 7.65 3.97 0.00 1.73 1.69 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 783 R 8.29 3.88 0.00 1.99 2.09 0.00 3.26 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 784 K 7.87 3.70 0.00 1.40 1.51 0.00 1.32 0.00 0.00 0.93 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.32 7.81 785 R 7.85 3.81 0.00 1.89 2.00 0.00 3.16 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 786 Y 8.25 4.06 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 787 L 8.30 3.76 0.00 1.69 1.70 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 788 C 7.92 4.03 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 M 8.10 4.04 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 790 Q 7.78 3.72 0.00 1.63 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 791 R 7.99 3.88 0.00 1.98 1.94 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 792 A 8.08 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 0.00 793 A 8.05 3.90 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 0.00 794 I 7.68 4.23 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 1.52 1.94 0.91 0.00 0.00 795 T 8.21 3.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 796 V 8.14 3.70 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 1.06 0.00 0.00 0.97 0.00 0.00 797 Q 8.83 4.07 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 798 R 8.29 3.98 0.00 1.94 2.14 0.00 2.66 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.32 0.00 799 Y 7.98 4.01 0.00 3.16 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 0.00 800 V 8.22 3.97 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.08 0.00 0.00 801 R 8.27 4.00 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 802 G 8.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 803 Y 8.49 4.27 0.00 3.33 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 3.29 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.32 1.89 0.00 805 A 7.76 4.00 1.40 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 0.00 806 R 7.93 3.95 0.00 2.11 2.05 0.00 3.19 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 807 C 8.20 4.21 0.00 3.16 3.02 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 0.00 808 Y 8.32 4.17 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 A 8.52 3.90 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 0.00 810 K 8.09 3.87 0.00 2.03 2.06 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 811 F 8.27 4.10 0.00 3.11 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 0.00 812 L 7.83 3.57 0.00 1.71 1.53 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 813 R 8.16 3.82 0.00 2.02 1.93 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 814 R 7.83 3.83 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 815 T 7.45 3.98 3.98 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 0.00 0.00 0.00 0.40 0.00 0.00 816 K 8.26 3.94 0.00 1.83 1.89 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.26 7.81 817 A 7.40 3.85 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 0.00 818 A 7.33 4.16 1.27 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 0.00 0.00 819 T 8.06 4.00 4.36 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 1.18 0.00 0.00 820 T 8.42 4.16 4.23 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 0.00 0.00 0.00 1.26 0.00 0.00