NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 773 K 4.3736 8.2993 120.1139 55.6998 34.3146 175.9539 774 Y 4.7234 7.6540 116.0235 54.4427 41.8739 173.2498 775 E 3.8733 9.4845 121.2370 59.3261 29.9464 180.7058 776 L 3.7808 7.7112 118.7487 58.1492 41.4167 179.5426 777 T 3.8821 7.4858 113.9532 66.5967 68.6348 176.3552 778 L 4.1652 7.5146 122.2020 57.0385 41.3203 179.3122 779 Q 4.0190 8.4947 120.1387 59.2832 28.8039 178.4924 780 R 3.9518 7.9213 118.0225 58.1376 30.1755 177.9950 781 S 5.0561 7.7474 112.7644 58.3014 63.5331 175.5532 782 L 4.1565 7.7693 125.7092 58.3671 41.7987 176.9653 783 P 4.2649 0.0000 0.0000 65.6705 31.1347 178.5979 784 F 4.1170 8.0468 116.0899 60.2726 38.9325 177.7691 785 I 3.8366 8.0808 119.7007 64.4252 36.8752 178.3267 786 E 4.0840 8.8110 120.0132 59.2360 29.3215 179.6007 787 G 3.6034 8.2947 105.8947 48.0171 0.0000 174.9629 788 M 4.0227 8.3001 121.3752 58.7087 32.2290 178.4424 789 L 4.2600 7.8882 119.9310 57.3845 41.4927 179.8654 790 T 3.9007 7.8132 115.3438 66.7336 68.5195 176.3561 791 N 4.5035 8.5881 117.5547 55.5326 38.7264 176.6393 792 L 4.4787 8.2988 118.0393 54.9985 43.2744 177.3145 793 G 3.7178 8.4382 106.6363 43.6913 0.0000 171.9842 794 A 4.4399 8.3210 119.7150 53.0749 18.8164 177.5108 795 M 4.8883 8.7932 119.9495 53.3692 36.8093 175.1725 796 K 4.7200 8.4910 119.8855 55.2221 33.8838 177.4825 797 L 4.0115 9.2246 124.9156 59.2249 41.9692 179.3721 798 H 4.3359 8.4427 114.1254 58.7108 28.3360 177.4942 799 K 4.0144 7.7356 120.7272 59.1537 31.9386 179.1247 800 I 3.7761 8.0037 120.2698 64.6145 37.1082 177.8556 801 H 4.3674 8.4590 118.9272 59.6770 29.7830 177.4980 802 S 4.1933 8.2992 116.8856 61.5612 62.6481 176.5417 803 F 4.2873 8.5790 123.5464 61.2800 39.1272 177.2519 804 L 3.7009 8.0612 120.1257 56.9501 40.9939 179.5455 805 K 4.0496 7.7583 117.8472 58.8620 32.0024 178.4208 806 I 4.0496 6.8370 111.3214 62.2334 38.2007 177.5242 807 T 3.8154 7.2873 111.3483 62.5093 69.0234 175.3626 808 V 2.8021 6.7416 121.9277 60.7992 32.0714 173.7473 809 P 3.8512 0.0000 0.0000 62.8399 31.4054 177.0654 810 K 3.7509 8.6738 121.7338 59.7435 32.1466 178.6867 811 D 4.4758 7.8298 116.9674 56.5185 40.8719 176.9619 812 W 4.8239 8.2872 117.5138 56.8086 30.5305 177.0218 813 G 4.0583 7.3619 106.1584 45.6193 0.0000 173.9113 814 Y 3.8995 9.0028 123.5547 57.4397 38.0850 170.3755 815 N 4.2899 8.0129 115.3054 56.0285 38.6933 175.9621 816 R 4.1289 7.7101 114.9540 57.2769 30.7612 176.7837 817 I 3.9048 7.2330 120.0730 61.2095 37.7908 176.2065 818 T 4.4423 8.6787 119.4023 60.5537 70.0394 175.7591 819 L 3.8720 8.1750 124.8551 58.5915 40.4749 179.2530 820 Q 4.0118 7.9871 118.2659 59.0129 28.7524 178.2602 821 Q 4.0017 7.9529 119.7813 58.5340 28.8629 178.0254 822 L 4.0220 7.8386 121.1597 58.2586 42.1523 178.3808 823 E 4.0438 8.5570 119.7255 59.4994 29.5893 179.1035 824 G 3.6368 8.2174 105.5074 47.8983 0.0000 175.1042 825 Y 4.2340 8.0213 121.9484 60.5982 38.8247 177.9838 826 L 3.7526 8.4656 120.2508 57.8239 41.4955 179.3415 827 N 4.4974 8.5013 116.6011 56.4144 38.4251 177.6965 828 T 3.9078 7.6986 117.0375 66.4415 68.3106 176.8811 829 L 3.8800 7.8595 120.7886 57.6023 41.3734 179.3797 830 A 4.7443 7.9460 121.4209 54.7069 18.3974 178.9342 831 D 4.5009 8.1588 116.7757 59.3715 41.4686 178.5188 832 E 4.4880 8.2364 117.4951 55.8536 31.8469 177.7919 833 G 4.1528 8.2896 112.4773 46.2873 0.0000 174.4153 834 R 4.1700 7.7978 123.6271 58.1065 31.3634 176.0693 835 L 5.0191 7.8735 116.8349 52.6450 46.7915 175.1837 836 K 4.3862 9.0913 122.5790 55.6227 33.9272 174.7049 837 Y 3.8877 8.9765 129.7512 56.1995 38.7668 175.7680 838 I 3.2106 8.8504 124.9974 61.7791 35.7205 172.4509 839 A 3.8401 7.7961 127.4595 52.9101 19.1321 176.9203 840 N 4.6081 8.3141 117.2868 52.3311 37.0995 175.0046 841 G 4.4530 6.6871 106.9464 45.4109 0.0000 173.1501 842 S 5.0614 7.2101 113.4092 56.3165 66.2806 172.6431 843 Y 5.0289 8.9792 118.3464 55.3772 40.6694 174.5889 844 E 4.9693 9.3006 124.7149 54.2224 33.2098 174.6258 845 I 4.3432 8.3043 124.6626 60.5191 39.3957 175.6355 846 V 4.0029 7.8185 126.0045 63.0704 30.9864 175.5082 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 1.26 1.68 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.39 7.81 774 Y 7.65 4.72 0.00 3.15 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 0.00 775 E 9.48 3.87 0.00 2.02 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 2.41 2.43 0.00 776 L 7.71 3.78 0.00 1.10 1.41 0.66 0.70 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 0.00 777 T 7.49 3.88 4.53 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 1.46 0.00 0.00 778 L 7.51 4.17 0.00 1.17 0.22 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 779 Q 8.49 4.02 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 780 R 7.92 3.95 0.00 2.03 1.97 0.00 2.84 0.00 0.00 2.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.32 0.00 781 S 7.75 5.06 0.00 4.07 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 7.77 4.16 0.00 2.05 1.81 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 783 P 0.00 4.26 0.00 1.75 1.89 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 784 F 8.05 4.12 0.00 3.29 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.84 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.01 0.97 0.00 0.00 786 E 8.81 4.08 0.00 2.10 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 2.61 0.00 787 G 8.29 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 0.00 788 M 8.30 4.02 0.00 2.39 2.48 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 789 L 7.89 4.26 0.00 1.78 1.73 0.99 0.79 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 0.00 790 T 7.81 3.90 4.40 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 1.21 0.00 0.00 791 N 8.59 4.50 0.00 2.63 2.87 0.00 0.00 7.00 7.84 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 0.00 792 L 8.30 4.48 0.00 1.56 1.60 0.58 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 793 G 8.44 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.44 1.19 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 0.00 795 M 8.79 4.89 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 796 K 8.49 4.72 0.00 1.69 1.82 0.00 2.06 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.28 7.81 797 L 9.22 4.01 0.00 1.98 1.89 1.00 0.97 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 0.00 798 H 8.44 4.34 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 7.74 4.01 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.16 1.37 7.81 800 I 8.00 3.78 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.98 0.00 0.00 801 H 8.46 4.37 0.00 3.45 3.62 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 8.30 4.19 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 8.58 4.29 0.00 3.18 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 8.06 3.70 0.00 1.33 0.13 1.00 0.62 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 0.00 805 K 7.76 4.05 0.00 1.99 1.89 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.75 7.81 806 I 6.84 4.05 1.73 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 1.62 0.17 0.86 0.00 0.00 807 T 7.29 3.82 3.86 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 0.00 0.00 0.02 0.00 0.00 808 V 6.74 2.80 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 0.77 0.00 0.00 0.49 0.00 0.00 809 P 0.00 3.85 0.00 1.31 1.49 0.00 2.74 0.00 0.00 3.01 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 8.67 3.75 0.00 1.75 1.88 0.00 1.61 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 7.83 4.48 0.00 2.69 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 8.29 4.82 0.00 3.45 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.06 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 0.00 0.00 0.00 814 Y 9.00 3.90 0.00 3.28 3.32 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 0.00 0.00 0.00 0.00 815 N 8.01 4.29 0.00 2.73 2.87 0.00 0.00 6.91 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 7.71 4.13 0.00 1.71 1.86 0.00 3.17 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 817 I 7.23 3.90 0.99 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 1.08 0.27 0.72 0.00 0.00 818 T 8.68 4.44 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 1.22 0.00 0.00 819 L 8.17 3.87 0.00 1.88 1.67 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 820 Q 7.99 4.01 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 821 Q 7.95 4.00 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 822 L 7.84 4.02 0.00 1.94 1.88 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 823 E 8.56 4.04 0.00 2.17 2.14 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 2.37 2.47 0.00 824 G 8.22 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 0.00 825 Y 8.02 4.23 0.00 3.15 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 8.47 3.75 0.00 1.37 0.77 0.42 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 827 N 8.50 4.50 0.00 2.98 2.88 0.00 0.00 7.00 7.58 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 0.00 828 T 7.70 3.91 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 1.21 0.00 0.00 829 L 7.86 3.88 0.00 1.70 1.60 0.53 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 830 A 7.95 4.74 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 8.16 4.50 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.49 0.00 2.09 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 2.34 2.59 0.00 833 G 8.29 4.15 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 0.00 0.00 0.00 834 R 7.80 4.17 0.00 1.88 1.90 0.00 2.97 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 835 L 7.87 5.02 0.00 1.69 1.63 0.91 0.59 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 0.00 836 K 9.09 4.39 0.00 1.77 1.64 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.36 7.81 837 Y 8.98 3.89 0.00 2.99 2.69 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 0.00 838 I 8.85 3.21 1.66 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 1.23 0.38 0.71 0.00 0.00 839 A 7.80 3.84 1.23 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 0.00 0.00 840 N 8.31 4.61 0.00 2.78 3.13 0.00 0.00 7.10 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 6.69 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 0.00 842 S 7.21 5.06 0.00 3.88 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 8.98 5.03 0.00 2.96 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 9.30 4.97 0.00 1.94 1.73 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 2.18 2.20 0.00 845 I 8.30 4.34 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 0.97 0.92 0.00 0.00 846 V 7.82 4.00 2.15 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 0.77 0.00 0.00 0.98 0.00 0.00