NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5260 8.0276 122.7629 54.9716 43.7219 175.3266 2 K 5.0481 8.7806 123.6040 55.1955 36.5825 172.9569 3 C 5.5414 10.5730 120.0141 54.7169 45.2413 174.5657 4 N 4.8416 8.4490 117.6736 54.1597 38.7172 175.1270 5 K 4.4264 8.5967 121.3091 55.1042 33.2025 176.9588 6 L 3.7939 8.5553 125.0538 57.9674 42.3077 177.8360 7 V 3.8885 7.4152 118.2277 60.8973 32.5595 175.1375 8 P 4.9063 0.0000 0.0000 62.5577 30.4159 176.3498 9 L 4.4152 7.0385 118.8703 56.7717 45.2724 174.5954 10 F 5.5979 5.7229 112.7174 55.4721 41.1377 173.4465 11 Y 5.2516 7.8829 114.5635 56.3570 40.9147 174.1631 12 K 4.4849 9.5611 122.8348 55.7644 34.8273 175.1208 13 T 4.9582 8.3113 118.9498 62.2633 70.8889 174.9106 14 C 5.2560 9.4448 120.6696 54.3191 41.8293 172.6865 15 P 4.4256 0.0000 0.0000 62.0427 31.7110 175.3597 16 A 4.2228 8.2623 122.0783 53.6816 18.5287 177.5146 17 G 3.9359 9.1548 111.3862 44.9768 0.0000 173.4454 18 K 4.3043 7.6083 120.6862 55.2205 31.1945 174.9545 19 N 4.9683 8.4581 121.3642 52.1592 38.7103 173.3475 20 L 5.3315 7.8174 123.0601 54.0911 43.6842 174.7225 21 C 5.2186 8.8892 124.9515 56.3114 39.6624 172.3669 22 Y 6.0067 8.5972 122.5183 55.1277 40.4749 174.8633 23 K 4.7142 8.6216 121.5168 55.1765 35.8379 174.1219 24 M 4.6601 9.4171 129.0994 53.9342 33.9140 174.8108 25 F 5.2230 7.8042 119.9665 55.9497 42.1001 172.8593 26 M 4.3924 8.8153 118.6361 54.8781 32.3390 178.3456 27 V 3.8261 8.3892 124.2862 65.9014 32.4361 176.7619 28 A 4.0549 8.1907 122.0516 54.3727 18.2263 176.7893 29 T 4.4524 8.9612 106.8251 59.1214 68.6047 172.7264 30 P 4.3826 0.0000 0.0000 65.6910 31.6783 178.3474 31 K 4.2248 7.6403 118.9610 55.3545 32.8127 176.8014 32 V 4.3764 7.1149 112.6784 60.4319 31.3635 172.5116 33 P 4.5686 0.0000 0.0000 63.2990 32.2847 176.6257 34 V 4.2717 8.1256 111.3176 62.2010 33.2100 176.8779 35 K 4.8315 7.8634 118.3745 54.6499 36.8366 176.0830 36 R 4.3193 8.3581 119.9734 54.0906 31.8115 173.3831 37 G 4.2175 7.3487 117.0229 45.7426 0.0000 172.0293 38 C 5.8576 9.5595 121.9432 55.2679 37.8608 172.4038 39 I 4.8196 10.0238 121.8152 60.2920 41.3147 175.1277 40 D 4.7876 8.8314 121.6288 54.2552 43.0362 176.6491 41 V 4.2544 7.3855 117.8759 60.3073 33.1299 174.7127 42 C 4.4273 8.6895 125.7091 55.4169 44.4759 173.2254 43 P 4.2724 0.0000 0.0000 61.9148 31.1803 174.6120 44 K 4.5449 8.1469 118.6578 55.8334 34.3975 176.2167 45 S 4.6494 8.5086 119.5248 58.4464 64.0233 174.1427 46 S 4.4571 8.3250 116.5675 57.5365 64.8178 173.4756 47 L 4.1868 8.6410 119.2600 57.9698 41.4791 178.0867 48 L 5.0802 7.6061 117.3884 54.6544 40.6570 177.1224 49 V 4.3966 7.6828 117.9805 61.4291 35.3134 173.5705 50 K 4.4763 8.3718 125.5940 55.1807 34.9731 174.3902 51 Y 4.6222 8.6841 126.3058 56.4121 39.3126 175.5890 52 V 4.2866 9.0126 126.1988 62.2285 33.2853 174.2542 53 C 6.3000 9.1032 124.2439 54.4933 39.6431 172.1638 54 C 5.1990 8.9233 117.9962 53.1148 44.5273 173.6538 55 N 5.4291 8.7173 120.7861 50.7615 34.8910 172.8807 56 T 4.5478 7.2754 111.9603 60.9046 72.4974 173.3134 57 D 4.4868 8.2033 121.2952 54.5613 41.4837 175.8175 58 R 3.7743 8.8032 128.0031 57.3926 28.0812 172.7469 59 C 5.0396 8.0967 108.5189 54.1159 43.3082 174.7777 60 N 4.5667 8.1015 123.0345 53.3734 37.0368 174.0162 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 L 8.03 4.53 0.00 1.75 1.66 1.01 0.20 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 2 K 8.78 5.05 0.00 2.23 2.04 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.72 7.81 3 C 10.57 5.54 0.00 2.86 3.24 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 4 N 8.45 4.84 0.00 2.86 2.73 0.00 0.00 7.03 8.76 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 5 K 8.60 4.43 0.00 1.89 1.90 0.00 2.07 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.84 7.81 6 L 8.56 3.79 0.00 1.60 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.42 3.89 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 0.41 0.00 0.00 1.01 0.00 0.00 8 P 0.00 4.91 0.00 2.09 2.01 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 9 L 7.04 4.42 0.00 1.12 1.55 1.07 0.80 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 10 F 5.72 5.60 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 11 Y 7.88 5.25 0.00 3.17 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 12 K 9.56 4.48 0.00 1.91 1.78 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 13 T 8.31 4.96 4.28 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 1.28 0.00 0.00 14 C 9.44 5.26 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.43 0.00 2.23 2.22 0.00 3.74 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 2.09 1.99 0.00 16 A 8.26 4.22 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 17 G 9.15 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 18 K 7.61 4.30 0.00 1.75 1.91 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.67 7.81 19 N 8.46 4.97 0.00 2.87 3.00 0.00 0.00 5.80 6.69 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 20 L 7.82 5.33 0.00 1.94 1.63 0.98 0.84 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 21 C 8.89 5.22 0.00 2.95 3.30 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 22 Y 8.60 6.01 0.00 3.24 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 23 K 8.62 4.71 0.00 1.77 1.82 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.54 7.81 24 M 9.42 4.66 0.00 2.18 1.48 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 25 F 7.80 5.22 0.00 3.10 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 26 M 8.82 4.39 0.00 2.06 2.08 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 2.63 2.59 0.00 27 V 8.39 3.83 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 0.79 0.00 0.00 0.87 0.00 0.00 28 A 8.19 4.05 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 29 T 8.96 4.45 4.28 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 1.22 0.00 0.00 30 P 0.00 4.38 0.00 2.15 2.25 0.00 3.49 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 31 K 7.64 4.22 0.00 1.64 1.74 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.30 7.81 32 V 7.11 4.38 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 0.98 0.00 0.00 0.88 0.00 0.00 33 P 0.00 4.57 0.00 2.12 1.91 0.00 3.33 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.39 0.00 34 V 8.13 4.27 2.10 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 0.67 0.00 0.00 1.02 0.00 0.00 35 K 7.86 4.83 0.00 1.73 1.76 0.00 1.78 0.00 0.00 2.01 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 36 R 8.36 4.32 0.00 1.57 1.74 0.00 3.06 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 37 G 7.35 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 9.56 5.86 0.00 2.96 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 39 I 10.02 4.82 2.16 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.89 0.99 0.00 0.00 40 D 8.83 4.79 0.00 2.59 2.64 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 41 V 7.39 4.25 2.06 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 0.67 0.00 0.00 0.90 0.00 0.00 42 C 8.69 4.43 0.00 3.00 3.05 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 43 P 0.00 4.27 0.00 1.51 1.56 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 44 K 8.15 4.54 0.00 1.80 1.73 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.32 7.81 45 S 8.51 4.65 0.00 3.89 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 46 S 8.33 4.46 0.00 3.92 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 0.00 47 L 8.64 4.19 0.00 1.64 1.78 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.61 5.08 0.00 1.57 1.68 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.68 4.40 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 0.88 0.00 0.00 1.18 0.00 0.00 50 K 8.37 4.48 0.00 1.46 0.82 0.00 1.44 0.00 0.00 1.54 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.30 1.00 7.81 51 Y 8.68 4.62 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 9.01 4.29 2.39 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 1.02 0.00 0.00 1.27 0.00 0.00 53 C 9.10 6.30 0.00 2.91 3.03 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 54 C 8.92 5.20 0.00 2.97 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.72 5.43 0.00 2.98 2.92 0.00 0.00 6.20 7.73 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 56 T 7.28 4.55 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 1.22 0.00 0.00 57 D 8.20 4.49 0.00 2.65 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 58 R 8.80 3.77 0.00 1.78 1.82 0.00 3.42 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 59 C 8.10 5.04 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 60 N 8.10 4.57 0.00 2.77 2.87 0.00 0.00 5.93 7.38 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