NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 780 G 3.9846 8.3393 109.7357 44.9908 0.0000 173.0373 781 P 4.1047 0.0000 0.0000 62.9296 31.6237 175.3855 782 G 3.6031 8.6176 109.2665 45.2967 0.0000 173.4867 783 T 4.2257 7.9456 114.6758 62.6866 68.7124 175.1324 784 F 4.2319 8.9673 126.2695 57.8837 41.0346 178.4137 785 G 4.4525 7.9098 112.6079 46.2627 0.0000 173.2110 786 T 4.7788 7.9885 112.6185 60.7313 73.7824 174.1298 787 A 5.1447 9.2601 122.9671 50.1897 22.1442 175.4696 788 K 4.4881 9.6070 125.1172 56.4697 33.0247 176.4004 789 A 4.4387 9.0306 130.6088 52.5302 19.2701 177.6321 790 R 4.3849 9.3019 118.8042 56.1219 31.8446 175.7190 791 Y 5.0409 8.1260 116.2500 55.4749 42.1196 174.7600 792 D 4.6681 9.5214 124.5138 53.8572 39.1325 175.9117 793 F 4.9615 8.4981 127.3443 58.2496 41.2923 174.8264 794 C 4.4502 7.0461 118.0417 58.3212 30.8131 174.3038 795 A 3.9288 8.4825 128.1913 52.2437 18.1288 177.3902 796 R 4.2078 8.4145 121.8942 57.4523 30.8648 175.5004 797 D 4.9233 7.5692 116.0149 52.8863 44.6428 174.6147 798 R 4.3859 8.5439 114.4040 57.4426 29.9514 176.9577 799 S 4.6013 8.0009 112.7400 59.1182 64.3472 173.2222 800 E 4.7757 8.0950 121.5675 54.7679 31.3663 174.6369 801 L 4.4807 8.9852 128.1544 54.4567 43.3212 176.9080 802 S 4.6160 8.6725 121.2284 57.6567 62.9986 173.5314 803 L 4.4824 8.5203 126.3734 54.3892 44.1779 176.0195 804 K 4.4549 8.4469 119.6409 55.7535 34.9310 174.4087 805 E 4.0876 9.0005 126.9911 58.4593 29.8825 178.2879 806 G 3.9442 8.3532 110.2400 45.4796 0.0000 172.5007 807 D 5.2029 7.8750 119.2684 52.2033 44.4407 174.9642 808 I 4.8489 8.1468 112.9304 59.2713 40.4782 174.9555 809 I 4.2691 8.5898 125.4445 59.0953 39.5747 174.8795 810 K 4.3728 8.3997 129.6867 56.2867 32.9734 176.0837 811 I 4.2423 8.0286 129.5555 61.6431 37.0891 175.5323 812 L 4.6607 8.8516 125.6989 55.8726 44.2969 176.6939 813 N 5.0864 7.7975 113.5871 51.6650 43.4993 174.2517 814 K 4.6869 8.6112 120.0796 53.8653 33.2981 175.8645 815 K 4.1587 9.0139 123.6162 58.0004 32.5244 177.2192 816 G 4.0485 7.5484 102.6421 46.5954 0.0000 172.4758 817 Q 4.7289 8.6863 122.2638 55.4789 28.7739 175.4869 818 Q 4.4646 7.8508 114.7107 55.8366 32.7823 170.8783 819 G 3.9572 8.7960 108.3317 44.1168 0.0000 175.8947 820 W 5.1190 9.0951 118.3415 54.6469 32.3336 174.1976 821 W 5.1428 8.6306 118.9017 54.7867 32.7794 174.8710 822 R 3.8554 8.2855 123.8020 54.9785 30.7077 175.4222 823 G 5.2448 8.3271 112.4089 44.9397 0.0000 170.0483 824 E 4.9838 8.3494 115.9429 55.4573 34.0196 174.5237 825 I 4.1830 8.6893 119.6083 61.1196 41.8329 174.9356 826 Y 3.8324 9.8920 123.3803 59.0465 35.4224 170.8549 827 G 3.8714 8.6328 105.6563 45.4220 0.0000 173.7881 828 R 4.4363 8.2662 119.9576 54.2931 30.7268 176.0256 829 I 4.4599 8.1276 124.0431 59.9778 38.6087 176.2225 830 G 3.9596 6.6800 108.7930 45.8528 0.0000 171.3862 831 W 4.9666 7.5246 117.5214 54.9468 32.6852 175.0823 832 F 5.3126 8.3811 115.8347 54.9092 41.3420 171.8490 833 P 4.5172 0.0000 0.0000 62.8070 32.4941 176.5605 834 S 4.3384 8.1549 115.0264 58.6443 62.2788 174.1830 835 N 4.6697 7.8703 115.4734 54.8521 39.1833 174.8756 836 Y 4.4588 7.7604 113.8278 57.6815 39.6298 175.3360 837 V 5.1172 7.9107 111.3878 59.5320 36.3063 174.6519 838 E 4.9794 9.2575 120.5197 54.9529 33.2464 175.2777 839 E 5.2316 9.1444 121.6438 52.8395 32.9538 174.7698 840 D 4.1618 8.0021 116.6943 55.5114 39.5573 172.8440 841 Y 4.6114 6.8681 117.1584 58.2532 39.9538 175.8484 842 S 4.5656 6.4778 111.6156 56.9897 65.8651 172.2423 843 E 4.5895 8.4383 121.1903 54.7533 32.3071 174.6579 844 Y 5.0959 8.0342 119.8319 55.7131 38.7227 174.9802 845 L 3.9834 7.8894 120.6076 54.4002 42.8853 176.0878 846 P 4.3507 0.0000 0.0000 61.9044 32.2417 175.8934 847 E 4.1832 8.3052 118.4168 56.5460 30.0439 177.5133 848 T 4.1521 8.2666 109.6637 62.0071 69.1685 174.7181 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 780 G 8.34 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 0.00 0.00 0.00 0.00 781 P 0.00 4.10 0.00 2.38 2.31 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 782 G 8.62 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 783 T 7.95 4.23 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 784 F 8.97 4.23 0.00 2.84 2.87 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 0.00 785 G 7.91 4.45 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 0.00 786 T 7.99 4.78 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 787 A 9.26 5.14 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 0.00 788 K 9.61 4.49 0.00 0.79 1.21 0.00 1.33 0.00 0.00 1.02 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.34 7.81 789 A 9.03 4.44 1.29 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 0.00 790 R 9.30 4.38 0.00 1.94 1.65 0.00 3.17 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 791 Y 8.13 5.04 0.00 2.97 2.99 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 0.00 0.00 0.00 792 D 9.52 4.67 0.00 2.73 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 0.00 793 F 8.50 4.96 0.00 3.16 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 0.00 794 C 7.05 4.45 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 A 8.48 3.93 1.31 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 0.00 0.00 0.00 796 R 8.41 4.21 0.00 1.78 1.95 0.00 3.25 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 797 D 7.57 4.92 0.00 2.66 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 0.00 798 R 8.54 4.39 0.00 1.94 2.07 0.00 3.21 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 799 S 8.00 4.60 0.00 4.05 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 0.00 800 E 8.09 4.78 0.00 2.11 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 2.44 2.90 0.00 801 L 8.99 4.48 0.00 1.81 1.67 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 802 S 8.67 4.62 0.00 3.94 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 0.00 803 L 8.52 4.48 0.00 1.89 1.72 0.59 0.63 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 0.00 804 K 8.45 4.45 0.00 1.89 2.06 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.55 7.81 805 E 9.00 4.09 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 806 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 D 7.88 5.20 0.00 2.64 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 0.00 808 I 8.15 4.85 1.90 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 1.33 0.92 0.98 0.00 0.00 809 I 8.59 4.27 1.69 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 0.13 0.10 0.10 0.00 0.00 810 K 8.40 4.37 0.00 1.90 1.70 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.47 7.81 811 I 8.03 4.24 1.87 0.00 0.00 0.73 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 0.79 0.65 0.00 0.00 812 L 8.85 4.66 0.00 1.42 1.59 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 813 N 7.80 5.09 0.00 2.51 2.65 0.00 0.00 6.95 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 814 K 8.61 4.69 0.00 1.74 1.67 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.51 7.81 815 K 9.01 4.16 0.00 2.17 2.16 0.00 2.12 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.96 2.04 7.81 816 G 7.55 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 817 Q 8.69 4.73 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 818 Q 7.85 4.46 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.27 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 819 G 8.80 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 820 W 9.10 5.12 0.00 3.26 2.93 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 0.00 821 W 8.63 5.14 0.00 2.27 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 822 R 8.29 3.86 0.00 0.67 1.23 0.00 2.68 0.00 0.00 2.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 823 G 8.33 5.24 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 0.00 0.00 0.00 824 E 8.35 4.98 0.00 2.01 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 2.18 2.28 0.00 825 I 8.69 4.18 1.51 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.04 -0.41 0.00 0.00 826 Y 9.89 3.83 0.00 3.08 2.90 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 0.00 827 G 8.63 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 0.00 0.00 0.00 828 R 8.27 4.44 0.00 1.94 1.87 0.00 3.18 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 829 I 8.13 4.46 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.83 0.00 0.00 830 G 6.68 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 831 W 7.52 4.97 0.00 2.62 1.74 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 0.00 832 F 8.38 5.31 0.00 2.90 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 0.00 833 P 0.00 4.52 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 834 S 8.15 4.34 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 835 N 7.87 4.67 0.00 2.82 2.89 0.00 0.00 6.73 7.34 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 0.00 836 Y 7.76 4.46 0.00 2.82 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 V 7.91 5.12 2.31 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 0.96 0.00 0.00 1.52 0.00 0.00 838 E 9.26 4.98 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 839 E 9.14 5.23 0.00 1.83 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 1.71 2.51 0.00 840 D 8.00 4.16 0.00 2.72 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 0.00 841 Y 6.87 4.61 0.00 3.08 3.10 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 0.00 842 S 6.48 4.57 0.00 4.06 4.13 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 0.00 843 E 8.44 4.59 0.00 1.91 1.87 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 2.20 2.24 0.00 844 Y 8.03 5.10 0.00 2.80 2.77 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 0.00 845 L 7.89 3.98 0.00 1.70 1.62 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 846 P 0.00 4.35 0.00 2.10 1.93 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 847 E 8.31 4.18 0.00 1.97 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 2.30 2.26 0.00 848 T 8.27 4.15 4.24 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 1.21 0.00 0.00