NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 773 K 4.3659 8.2993 120.1117 55.7631 34.4419 175.8343 774 Y 4.6638 7.5360 116.2480 54.6202 41.7689 173.1603 775 E 3.9654 9.4414 120.2111 59.1061 29.8354 180.7847 776 L 3.7484 7.5826 119.0180 57.8593 41.8005 179.3713 777 T 3.8587 7.5564 115.1920 66.6159 68.2909 176.5520 778 L 3.9602 7.4453 120.9221 57.1293 41.6967 179.0201 779 Q 4.1292 8.4157 120.0892 59.3650 28.7902 178.6633 780 R 3.9521 8.1873 118.4428 58.3776 29.9707 178.1071 781 S 4.9992 7.8568 112.0836 58.5072 63.4394 175.5819 782 L 4.1815 7.7171 125.3500 58.3683 41.8649 177.0816 783 P 4.3106 0.0000 0.0000 65.3976 31.1414 178.4727 784 F 4.2321 7.9775 116.1886 60.0053 39.0364 177.8857 785 I 3.8250 7.9884 119.7601 64.3203 36.8388 178.2126 786 E 4.0782 8.6144 119.8646 59.4213 29.3578 179.6068 787 G 3.6408 8.1276 105.6153 47.9692 0.0000 175.0338 788 M 4.1199 8.3194 120.9539 58.7240 32.4406 178.4845 789 L 4.1627 8.0971 118.6475 57.7723 41.4637 179.8634 790 T 3.9146 7.8928 115.5959 66.7217 68.5699 176.3932 791 N 4.4968 8.6346 117.3144 55.7376 38.7364 176.6983 792 L 4.4523 8.1249 117.5138 54.4799 42.8110 177.3270 793 G 3.7438 7.9839 105.9743 43.7640 0.0000 172.5674 794 A 4.3708 8.3207 119.7300 52.9923 18.7471 177.3656 795 M 4.8867 8.8579 120.4136 53.2991 36.7422 175.1435 796 K 4.6579 8.5077 119.9809 55.9068 33.7828 177.4054 797 L 3.9455 8.4079 122.7152 59.2419 41.9977 179.5893 798 H 4.3176 8.3789 114.1009 58.6278 28.3084 177.4834 799 K 4.0268 7.7235 120.8629 59.1931 31.9623 179.0924 800 I 3.7801 7.9843 120.2715 64.6222 37.0332 177.9570 801 H 4.3955 8.5276 119.0425 59.5526 29.7673 177.5460 802 S 4.1748 8.2225 117.0212 61.6293 62.5961 176.5141 803 F 4.3641 8.6458 123.6333 61.1964 39.0726 177.2162 804 L 3.6409 8.0740 120.2173 57.0232 41.0658 179.3957 805 K 4.0017 7.7650 117.6087 59.0821 32.0219 178.3648 806 I 4.0698 6.9582 111.1294 62.3043 38.5737 177.5884 807 T 3.7699 7.4272 111.6277 62.6146 68.8636 175.2553 808 V 2.6278 6.7619 122.0476 60.7693 32.0854 173.7670 809 P 3.8548 0.0000 0.0000 62.8067 31.4144 177.1377 810 K 3.7626 8.6295 121.4245 59.7331 32.1252 178.6169 811 D 4.5088 7.8200 116.8090 56.3015 40.8789 176.8620 812 W 4.8471 8.2768 117.6965 56.4683 30.4893 177.7911 813 G 4.0321 7.4399 106.3238 47.3711 0.0000 173.2628 814 Y 3.9748 9.0102 120.1334 57.7350 37.6818 170.6469 815 N 4.2850 8.0056 115.3168 56.0579 38.7009 175.9790 816 R 4.1324 7.6956 115.1373 57.4757 30.7952 176.9710 817 I 3.8757 7.3256 119.8325 61.3655 37.6478 176.1572 818 T 4.4643 8.5563 119.1316 60.4306 70.2275 175.7075 819 L 3.9144 8.1871 124.6153 58.1525 40.6099 178.8747 820 Q 4.0986 7.9625 118.2006 58.6080 28.9686 178.0242 821 Q 4.0079 7.9288 120.0618 58.6003 28.8484 177.8475 822 L 4.0741 8.0030 121.3894 58.2576 42.2157 178.5493 823 E 4.0716 8.4782 119.4667 59.3824 29.6188 179.0791 824 G 3.6661 8.1427 105.5206 47.8436 0.0000 175.1395 825 Y 4.2137 8.2215 121.9118 60.5768 38.7990 178.0346 826 L 3.7804 8.3728 120.3658 57.8400 41.6022 179.3158 827 N 4.4972 8.3514 116.4044 56.5472 38.4258 177.6682 828 T 3.9582 7.6867 116.9291 66.5103 68.6320 176.8650 829 L 3.9132 7.7023 120.7773 57.4377 41.3247 179.3824 830 A 4.5555 7.9484 121.9315 54.6492 18.4199 179.0692 831 D 4.4520 8.2787 117.1435 59.1157 41.4140 178.5762 832 E 4.6048 8.4597 122.5552 56.0572 31.3769 177.9307 833 G 4.1918 8.2630 115.3596 46.3099 0.0000 173.4681 834 R 4.1258 8.1219 123.2545 58.1889 31.1837 176.0703 835 L 5.3218 8.1089 116.7391 52.5762 46.2317 175.5210 836 K 4.3502 9.1038 122.1405 56.0394 34.3310 174.5311 837 Y 3.8171 9.0318 128.9701 57.0783 38.8914 176.6716 838 I 3.4440 9.6610 127.1635 62.0616 35.6267 172.0106 839 A 3.8826 7.6829 127.2858 51.7996 19.7725 177.2108 840 N 4.5903 8.4660 117.6069 52.3188 36.6481 175.4527 841 G 4.8035 7.7792 107.3399 45.4946 0.0000 172.9001 842 S 5.0955 6.8843 112.5555 56.2842 66.0320 172.7941 843 Y 5.0593 9.0765 119.0104 55.5207 40.4428 174.4370 844 E 5.0110 9.1589 124.9297 54.2354 32.9400 174.7568 845 I 4.3221 8.3206 125.2069 60.6189 39.3902 175.6178 846 V 4.0069 8.1543 126.7132 63.0647 30.9869 175.5179 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 773 K 8.30 4.37 0.00 1.28 1.69 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.37 7.81 774 Y 7.54 4.66 0.00 3.14 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 0.00 775 E 9.44 3.97 0.00 2.04 2.04 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 2.43 2.45 0.00 776 L 7.58 3.75 0.00 1.08 1.40 0.65 0.65 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 0.00 777 T 7.56 3.86 4.58 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 1.42 0.00 0.00 778 L 7.45 3.96 0.00 1.23 0.14 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 779 Q 8.42 4.13 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 780 R 8.19 3.95 0.00 1.98 1.93 0.00 2.85 0.00 0.00 2.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.00 781 S 7.86 5.00 0.00 4.13 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 0.00 782 L 7.72 4.18 0.00 2.02 1.80 0.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 783 P 0.00 4.31 0.00 1.65 1.86 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 784 F 7.98 4.23 0.00 3.25 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 0.00 785 I 7.99 3.83 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.96 0.00 0.00 786 E 8.61 4.08 0.00 2.12 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 2.35 2.63 0.00 787 G 8.13 3.64 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 0.00 0.00 0.00 788 M 8.32 4.12 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 789 L 8.10 4.16 0.00 1.91 1.73 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 790 T 7.89 3.91 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 791 N 8.63 4.50 0.00 2.65 2.88 0.00 0.00 7.04 7.85 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 0.00 792 L 8.12 4.45 0.00 1.60 1.61 0.58 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 793 G 7.98 3.74 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 0.00 0.00 0.00 794 A 8.32 4.37 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 795 M 8.86 4.89 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 796 K 8.51 4.66 0.00 1.65 1.77 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.43 7.81 797 L 8.41 3.95 0.00 2.00 1.87 1.00 0.99 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 0.00 798 H 8.38 4.32 0.00 3.47 3.61 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 799 K 7.72 4.03 0.00 1.86 1.84 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 1.39 7.81 800 I 7.98 3.78 2.09 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 1.45 0.82 0.97 0.00 0.00 801 H 8.53 4.40 0.00 3.43 3.59 0.00 5.78 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 0.00 802 S 8.22 4.17 0.00 4.02 3.97 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 0.00 0.00 0.00 803 F 8.65 4.36 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.64 0.00 1.47 0.19 1.00 0.62 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 0.00 805 K 7.76 4.00 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.78 7.81 806 I 6.96 4.07 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.24 0.88 0.00 0.00 807 T 7.43 3.77 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 -0.17 0.00 0.00 808 V 6.76 2.63 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.51 0.00 0.00 809 P 0.00 3.85 0.00 1.31 1.46 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 810 K 8.63 3.76 0.00 1.74 1.88 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.39 7.81 811 D 7.82 4.51 0.00 2.68 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 812 W 8.28 4.85 0.00 3.46 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 G 7.44 4.03 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 0.00 0.00 0.00 814 Y 9.01 3.97 0.00 3.21 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 0.00 815 N 8.01 4.28 0.00 2.72 2.87 0.00 0.00 6.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 R 7.70 4.13 0.00 1.70 1.86 0.00 3.16 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 817 I 7.33 3.88 0.98 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 1.12 0.24 0.74 0.00 0.00 818 T 8.56 4.46 4.20 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 0.00 0.00 0.00 1.26 0.00 0.00 819 L 8.19 3.91 0.00 1.89 1.70 0.92 0.51 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 Q 7.96 4.10 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 821 Q 7.93 4.01 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 822 L 8.00 4.07 0.00 1.90 1.85 1.14 0.81 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 0.00 823 E 8.48 4.07 0.00 2.20 1.98 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 2.38 2.48 0.00 824 G 8.14 3.67 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 0.00 0.00 0.00 825 Y 8.22 4.21 0.00 3.20 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 0.00 826 L 8.37 3.78 0.00 1.35 1.00 0.35 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 827 N 8.35 4.50 0.00 2.97 2.90 0.00 0.00 7.03 6.46 0.00 0.00 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 T 7.69 3.96 4.30 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 1.23 0.00 0.00 829 L 7.70 3.91 0.00 1.73 1.60 0.63 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 830 A 7.95 4.56 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.45 0.00 2.85 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 0.00 832 E 8.46 4.60 0.00 2.07 1.81 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 2.33 2.56 0.00 833 G 8.26 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 R 8.12 4.13 0.00 1.90 2.06 0.00 3.07 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 835 L 8.11 5.32 0.00 1.74 1.67 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 836 K 9.10 4.35 0.00 1.76 1.63 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.35 7.81 837 Y 9.03 3.82 0.00 2.96 2.65 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 0.00 0.00 0.00 0.00 838 I 9.66 3.44 1.71 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 1.26 0.51 0.74 0.00 0.00 839 A 7.68 3.88 1.25 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 0.00 0.00 840 N 8.47 4.59 0.00 2.80 3.14 0.00 0.00 7.16 7.65 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 0.00 841 G 7.78 4.80 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 0.00 0.00 0.00 842 S 6.88 5.10 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 Y 9.08 5.06 0.00 2.90 2.94 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 0.00 844 E 9.16 5.01 0.00 1.96 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 2.19 2.20 0.00 845 I 8.32 4.32 1.90 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 1.24 0.96 0.92 0.00 0.00 846 V 8.15 4.01 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 0.80 0.00 0.00 0.97 0.00 0.00