NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4968 8.3049 120.3489 54.3686 34.3555 175.2369 2 K 4.3765 7.8898 119.6908 56.1475 39.4663 174.8841 3 A 4.7563 8.6247 122.5492 50.3963 19.2866 173.8822 4 K 4.6300 7.1855 120.2622 54.3933 37.5405 177.7796 5 E 3.5989 8.6249 117.7093 57.8788 28.1168 175.4119 6 L 4.4923 8.2521 116.0091 55.2045 46.0652 175.1754 7 R 4.2590 8.4481 118.0060 56.0041 29.1143 175.1246 8 E 4.6207 8.0655 119.1486 54.5796 32.9876 175.2082 9 K 4.7171 9.0305 124.7579 55.5761 33.0759 176.9469 10 S 4.8840 8.3664 112.6471 58.8011 63.2959 175.0862 11 V 4.4071 7.7673 111.5067 61.9652 32.4362 176.1205 12 E 4.8948 7.7476 114.8569 55.4912 33.5638 176.7586 13 E 4.3100 8.3780 121.8246 58.7660 28.8244 178.7416 14 L 4.4103 7.9257 119.9548 57.4953 41.5423 179.1903 15 N 4.5390 7.7705 113.3656 55.6476 38.6145 177.0832 16 T 4.2100 7.7988 117.2101 65.3672 68.7414 175.7413 17 E 4.4651 7.7835 117.9561 56.3199 29.5129 176.9700 18 L 5.0918 7.3702 118.6689 53.9245 42.5442 176.8297 19 L 4.5989 7.7972 116.1556 55.9670 47.9047 176.3012 20 N 5.0609 7.9012 112.1236 53.2137 40.7983 175.3862 21 L 4.7293 7.8994 118.5000 55.1392 46.2509 175.6175 22 L 4.6890 7.6080 118.6338 54.6913 45.3950 175.3166 23 R 4.1176 9.0817 123.2518 56.8282 27.4190 176.0549 24 E 5.0868 8.3214 113.6600 57.0084 34.7911 175.3872 25 Q 4.4163 8.2450 114.9701 56.0630 28.7252 175.6962 26 F 4.6572 8.0589 114.1213 57.5806 40.4665 175.1061 27 N 5.0658 7.7339 114.9228 53.0917 41.6264 175.4635 28 L 4.6461 7.8071 117.5528 54.4433 44.2289 177.0033 29 R 4.7221 8.1305 114.9712 56.0064 30.9994 175.5176 30 M 4.1911 7.9543 119.6803 56.3471 33.2633 177.0848 31 Q 4.4810 7.8589 114.3457 55.6645 30.1375 176.3013 32 A 4.0191 8.3120 122.4058 55.2219 18.4646 179.1240 33 A 4.2025 7.3809 113.6922 53.1716 18.0654 178.1351 34 S 4.5216 7.6919 108.5650 57.9155 64.4704 175.9944 35 G 3.5452 8.6974 107.5133 46.2077 0.0000 174.5400 36 Q 3.3679 8.6845 112.0243 57.1521 25.2902 174.4286 37 L 4.6666 7.6317 115.9465 53.3236 43.6529 177.1136 38 Q 4.7123 8.3659 123.7969 55.3450 29.3646 176.9523 39 Q 4.8689 7.4997 112.3944 55.6963 30.9996 175.5266 40 S 4.2750 8.0582 117.7685 61.5902 63.4336 176.0724 41 H 4.2627 8.4060 117.3351 58.4681 27.9477 177.5041 42 L 3.8183 7.3223 120.8739 57.5428 41.3744 179.2692 43 L 4.0167 7.7142 119.1447 57.4703 41.4803 179.2084 44 K 4.2524 7.7796 117.1800 57.9325 31.7233 178.2079 45 Q 4.7346 7.3564 116.9270 55.6001 29.3826 176.5682 46 V 4.0511 7.6492 119.6597 64.8279 31.7398 177.5809 47 R 4.0091 7.7440 118.4332 59.4587 30.3998 178.4850 48 R 4.4677 7.6720 116.8815 55.8367 30.6450 176.5920 49 D 4.7413 8.0472 116.0183 55.4905 47.2532 176.2527 50 V 4.1760 7.7009 110.0141 61.1814 31.9334 177.2086 51 A 3.9207 7.8514 123.2546 53.7776 19.1738 179.4616 52 R 4.2395 7.4177 113.7646 57.9939 31.1101 178.9916 53 V 3.5614 7.3912 117.6244 65.7960 31.5518 177.5208 54 K 4.2878 7.8446 115.5538 57.4583 32.4613 178.7938 55 T 3.9619 7.6092 115.8824 65.9760 68.1302 175.5265 56 L 4.5203 7.6048 118.0085 54.6144 42.1291 177.6092 57 L 4.3757 7.2792 121.7402 57.6182 42.3832 178.0863 58 N 4.5144 7.7966 114.1411 55.1719 38.8717 177.1165 59 E 4.0846 8.3809 120.5970 58.8322 29.7577 178.1295 60 K 4.3178 7.8835 115.2144 54.9082 32.8869 175.9229 61 A 3.3807 8.7446 120.6999 53.4379 15.7337 178.7499 62 G 3.8675 8.2562 107.7049 46.4438 0.0000 174.4023 63 A 4.2848 7.3444 126.9175 52.1011 19.0912 177.1759 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 M 8.30 4.50 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 7.89 4.38 0.00 1.82 1.77 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 8.62 4.76 1.22 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 4 K 7.19 4.63 0.00 1.69 1.68 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.39 7.81 5 E 8.62 3.60 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 6 L 8.25 4.49 0.00 1.58 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.45 4.26 0.00 1.98 2.00 0.00 3.33 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 8 E 8.07 4.62 0.00 1.93 1.72 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 2.27 2.32 0.00 9 K 9.03 4.72 0.00 1.94 1.71 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.48 7.81 10 S 8.37 4.88 0.00 3.97 4.12 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 11 V 7.77 4.41 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 0.93 0.00 0.00 12 E 7.75 4.89 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 13 E 8.38 4.31 0.00 2.05 2.21 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 2.41 2.40 0.00 14 L 7.93 4.41 0.00 1.68 1.74 0.96 0.94 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 15 N 7.77 4.54 0.00 2.81 2.87 0.00 0.00 7.15 7.46 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 16 T 7.80 4.21 4.37 0.00 0.00 0.00 0.00 0.00 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 17 E 7.78 4.47 0.00 2.21 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 2.30 2.45 0.00 18 L 7.37 5.09 0.00 1.59 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.80 4.60 0.00 1.75 1.65 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.90 5.06 0.00 2.77 2.90 0.00 0.00 6.22 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.90 4.73 0.00 1.54 1.86 0.94 0.93 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 22 L 7.61 4.69 0.00 1.61 1.60 0.94 0.91 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 23 R 9.08 4.12 0.00 2.01 1.98 0.00 2.95 0.00 0.00 2.78 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 24 E 8.32 5.09 0.00 2.09 1.90 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 2.29 2.32 0.00 25 Q 8.25 4.42 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.08 1.16 0.00 26 F 8.06 4.66 0.00 3.12 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 27 N 7.73 5.07 0.00 2.85 3.05 0.00 0.00 5.57 6.67 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 28 L 7.81 4.65 0.00 1.67 1.81 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.13 4.72 0.00 1.70 1.80 0.00 3.16 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 30 M 7.95 4.19 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 31 Q 7.86 4.48 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 32 A 8.31 4.02 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 33 A 7.38 4.20 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 34 S 7.69 4.52 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.68 3.37 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 37 L 7.63 4.67 0.00 1.58 1.59 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.37 4.71 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.31 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 39 Q 7.50 4.87 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 40 S 8.06 4.27 0.00 3.90 3.92 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 41 H 8.41 4.26 0.00 3.35 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.32 3.82 0.00 1.68 1.68 0.87 0.28 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 43 L 7.71 4.02 0.00 1.82 1.70 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.78 4.25 0.00 2.02 1.85 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.62 7.81 45 Q 7.36 4.73 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 46 V 7.65 4.05 2.23 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 0.99 0.00 0.00 0.98 0.00 0.00 47 R 7.74 4.01 0.00 2.08 1.92 0.00 3.16 0.00 0.00 3.33 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 48 R 7.67 4.47 0.00 2.04 1.93 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 49 D 8.05 4.74 0.00 2.73 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 50 V 7.70 4.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.05 0.00 0.00 51 A 7.85 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.42 4.24 0.00 2.11 2.21 0.00 3.15 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 53 V 7.39 3.56 2.28 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 1.06 0.00 0.00 0.98 0.00 0.00 54 K 7.84 4.29 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 T 7.61 3.96 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 1.23 0.00 0.00 56 L 7.60 4.52 0.00 1.63 1.89 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.28 4.38 0.00 2.06 1.82 0.92 0.63 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 58 N 7.80 4.51 0.00 2.75 2.85 0.00 0.00 7.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.38 4.08 0.00 1.98 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 0.00 2.32 2.34 0.00 60 K 7.88 4.32 0.00 2.08 1.80 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.51 7.81 61 A 8.74 3.38 1.35 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 0.00 0.00 0.00 62 G 8.26 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 63 A 7.34 4.28 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