NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3766 8.1927 115.4159 57.8747 64.6932 172.6737 0 H 4.0290 8.3882 120.7010 58.5260 29.6260 173.2842 1 M 3.0555 9.1664 126.5825 56.0723 30.4523 176.8680 2 A 4.1866 7.7799 121.6421 51.7015 20.3992 179.1159 3 S 4.0760 8.6772 117.6835 61.9829 62.8572 176.9991 4 E 3.9576 8.1243 121.5386 59.0298 29.1932 179.0863 5 E 3.9697 8.0844 118.1954 59.3570 29.5580 179.0926 6 L 3.9846 7.9670 119.0371 57.9427 41.6525 179.6780 7 Q 3.9901 8.3076 118.0428 58.8943 28.7726 178.9353 8 K 4.0088 8.0842 119.5752 59.3504 32.0466 179.1239 9 D 4.3432 8.2605 119.2827 57.2991 40.7755 178.5815 10 L 3.9325 8.1675 121.0283 58.1552 42.0983 178.5618 11 E 3.9077 8.2785 119.2398 59.2289 29.5154 178.4388 12 E 3.8940 8.0672 118.8998 59.3165 29.7007 178.8654 13 V 3.5809 7.9060 118.2924 65.9028 31.4744 178.1069 14 K 3.9425 8.2294 118.2637 59.3948 31.7788 179.3790 15 V 3.5726 7.7459 118.4091 66.1891 31.5826 178.1584 16 L 4.0216 8.1322 118.7500 57.4879 41.1930 179.1553 17 L 3.9607 8.1164 120.1093 58.2623 42.0941 178.4894 18 E 4.0908 8.1590 117.5217 59.4036 29.4672 179.1198 19 K 4.1349 7.6437 116.8360 57.3393 32.6783 177.5113 20 A 4.3141 7.1633 122.0279 52.0108 19.0284 177.1220 21 T 4.4833 8.2643 109.3909 62.0078 71.2033 175.6426 22 R 4.1794 7.7404 121.2422 55.1053 31.8732 176.9845 23 K 3.8786 8.6974 124.4073 59.8288 32.2970 179.2892 24 R 3.9152 7.9264 115.6475 58.9718 29.3953 178.9083 25 V 3.5894 7.6670 118.7210 65.8412 31.6195 177.9239 26 R 3.9114 8.2677 118.1858 59.4354 29.9179 178.7513 27 D 4.3262 8.4184 118.5609 57.3335 40.8589 178.7514 28 A 3.9971 8.0233 121.1734 55.2810 18.3241 179.7664 29 L 4.0202 8.1953 117.5948 58.0344 41.6129 179.8545 30 T 3.8497 8.3376 116.0982 66.5002 68.3714 176.5620 31 A 3.9955 8.1836 122.7546 55.1287 18.3834 179.5265 32 E 3.9091 8.2603 117.1507 59.3018 29.4516 179.3600 33 K 3.8676 8.3161 119.9710 59.7236 32.2476 178.7483 34 S 4.2243 8.2254 113.3428 61.1342 62.2966 175.9391 35 K 3.9105 8.1652 122.3610 59.6897 31.9838 178.9184 36 I 3.9192 7.9181 120.0598 64.3756 36.9111 178.1930 37 E 3.9849 8.5402 119.8691 59.7895 29.1989 179.6258 38 T 3.8695 8.1060 115.7226 66.6695 68.2853 176.5575 39 E 3.9524 8.0633 119.4509 59.4113 29.8576 179.3371 40 I 3.8601 7.8963 119.8207 64.3092 37.1929 178.3988 41 K 3.9716 8.3558 120.7553 59.5665 31.7451 178.5103 42 N 4.3832 8.2348 116.0136 55.7106 38.5017 176.9239 43 K 4.1026 8.2288 118.2679 58.9962 32.1881 176.6169 44 M 3.8560 7.8544 124.1026 54.4527 32.1828 175.8466 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 -1 S 8.19 4.38 0.00 4.02 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 H 8.39 4.03 0.00 3.17 3.31 0.00 6.02 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.17 3.06 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.87 0.00 2 A 7.78 4.19 1.32 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 0.00 0.00 3 S 8.68 4.08 0.00 4.05 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 4 E 8.12 3.96 0.00 2.03 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 2.40 2.40 0.00 5 E 8.08 3.97 0.00 2.11 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 2.40 2.51 0.00 6 L 7.97 3.98 0.00 1.84 1.71 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.31 3.99 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 8 K 8.08 4.01 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 9 D 8.26 4.34 0.00 2.89 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 10 L 8.17 3.93 0.00 1.81 1.81 0.92 0.96 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 11 E 8.28 3.91 0.00 2.16 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 2.32 0.00 12 E 8.07 3.89 0.00 2.11 2.05 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 2.30 2.31 0.00 13 V 7.91 3.58 2.08 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 1.08 0.00 0.00 1.00 0.00 0.00 14 K 8.23 3.94 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 15 V 7.75 3.57 2.20 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 1.03 0.00 0.00 0.98 0.00 0.00 16 L 8.13 4.02 0.00 1.73 1.70 0.92 0.37 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 17 L 8.12 3.96 0.00 1.66 1.91 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.16 4.09 0.00 2.16 2.01 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 2.35 2.51 0.00 19 K 7.64 4.13 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.64 7.81 20 A 7.16 4.31 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 21 T 8.26 4.48 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 1.27 0.00 0.00 22 R 7.74 4.18 0.00 1.84 1.88 0.00 3.30 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 23 K 8.70 3.88 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 24 R 7.93 3.92 0.00 2.07 2.17 0.00 3.01 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 25 V 7.67 3.59 2.20 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 1.13 0.00 0.00 0.93 0.00 0.00 26 R 8.27 3.91 0.00 2.00 1.97 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 27 D 8.42 4.33 0.00 2.83 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 28 A 8.02 4.00 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 29 L 8.20 4.02 0.00 1.76 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.34 3.85 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 31 A 8.18 4.00 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 32 E 8.26 3.91 0.00 2.18 2.01 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 2.45 2.46 0.00 33 K 8.32 3.87 0.00 1.89 2.01 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.45 7.81 34 S 8.23 4.22 0.00 3.93 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 35 K 8.17 3.91 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 36 I 7.92 3.92 1.87 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 1.52 0.72 0.93 0.00 0.00 37 E 8.54 3.98 0.00 2.14 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 2.33 2.51 0.00 38 T 8.11 3.87 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 1.21 0.00 0.00 39 E 8.06 3.95 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 2.34 2.50 0.00 40 I 7.90 3.86 2.01 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 1.40 1.22 0.91 0.00 0.00 41 K 8.36 3.97 0.00 1.89 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 N 8.23 4.38 0.00 2.91 2.87 0.00 0.00 7.06 7.86 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 43 K 8.23 4.10 0.00 1.89 1.86 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.63 7.81 44 M 7.85 3.86 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00