NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.3669 8.3149 120.1192 56.2277 33.4794 174.8210 10 F 4.5213 8.5368 118.8271 54.4015 41.4342 174.3838 11 F 4.3534 9.2559 128.5495 58.7949 40.8251 173.2585 12 I 3.9401 6.8635 124.5351 63.6380 39.8565 175.9470 13 S 3.5863 6.0161 112.9449 55.8485 63.7107 172.7244 14 R 4.6174 8.3777 119.4822 56.9070 35.0085 176.9866 15 K 4.4007 8.2734 118.3449 58.9558 31.8946 178.6780 16 E 3.9340 8.1096 119.0186 59.1910 29.6036 177.8213 17 Y 4.0800 7.9522 119.1829 60.9044 38.6735 177.9402 18 E 3.7644 8.2695 119.2817 59.3507 29.6826 179.5460 19 K 4.1045 7.8338 118.0453 59.5706 32.1214 179.5103 20 I 3.6744 7.7996 120.0870 64.2324 36.8985 178.3207 21 E 3.7655 7.9057 119.6045 59.2774 29.2454 179.0914 22 E 3.9006 8.1990 118.6508 59.6105 29.4730 179.5559 23 I 3.6984 7.5715 119.3020 64.4006 37.2723 178.5340 24 L 3.9538 7.9655 119.7858 57.7593 41.3113 179.3610 25 D 4.3443 8.1621 119.0475 57.4157 40.6919 178.8838 26 I 3.8020 7.9362 120.5045 64.2299 37.0192 178.7095 27 G 3.5800 8.3165 106.8720 47.5854 0.0000 175.6002 28 L 3.9000 7.8784 122.0286 57.8713 42.2167 178.5760 29 A 3.9901 8.1116 120.8960 55.4061 18.0063 179.8282 30 K 4.0733 8.3340 116.5982 59.5856 31.9216 179.3457 31 A 4.0013 7.9616 120.0169 55.6438 18.5458 179.3559 32 M 4.1717 8.4071 117.4522 58.4244 32.0936 178.8194 33 E 4.0630 8.2781 118.7542 59.1034 29.3662 178.9364 34 E 4.1687 7.8818 117.8552 58.2884 29.7124 177.6148 35 T 4.6550 7.4344 108.3075 61.1120 69.2277 176.4984 36 K 3.9343 7.8504 123.0530 59.4939 32.0586 177.4453 37 D 4.8010 7.8269 115.2093 53.7555 41.3423 176.2276 38 D 4.4822 7.6776 119.9761 54.1074 41.3383 176.3309 39 E 3.9895 8.6349 122.4197 56.5507 29.9360 176.4769 40 L 4.4609 8.4160 123.9694 53.4366 42.5439 176.0574 41 L 4.7055 8.1848 123.8561 53.6085 43.2548 177.3220 42 T 4.2618 8.5382 119.0509 63.1088 70.3048 175.3729 43 Y 4.1556 8.5297 122.5403 61.1866 38.7488 177.6012 44 D 4.3034 8.0423 118.4432 57.3754 41.0987 178.1207 45 E 4.0469 7.9831 117.5855 58.1836 29.9461 177.6302 46 I 3.9123 6.9406 119.1105 60.5866 38.7377 175.6474 47 K 4.0571 8.2735 125.2923 57.3915 32.0441 175.4866 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 9 K 8.31 4.37 0.00 1.75 1.86 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 10 F 8.54 4.52 0.00 3.06 2.98 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 11 F 9.26 4.35 0.00 2.95 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 12 I 6.86 3.94 1.78 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.81 0.00 0.00 13 S 6.02 3.59 0.00 3.79 3.89 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 0.00 0.00 0.00 0.00 14 R 8.38 4.62 0.00 1.79 1.86 0.00 3.22 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 K 8.27 4.40 0.00 1.86 1.88 0.00 2.02 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.40 7.81 16 E 8.11 3.93 0.00 2.02 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 2.35 2.34 0.00 17 Y 7.95 4.08 0.00 3.04 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 18 E 8.27 3.76 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 19 K 7.83 4.10 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.61 7.81 20 I 7.80 3.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 0.83 0.00 0.00 21 E 7.91 3.77 0.00 1.89 1.80 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 1.47 1.85 0.00 22 E 8.20 3.90 0.00 2.15 1.96 0.00 0.00 0.00 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 2.31 0.00 23 I 7.57 3.70 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.88 0.00 0.00 24 L 7.97 3.95 0.00 1.92 1.66 0.88 0.78 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 25 D 8.16 4.34 0.00 2.85 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 26 I 7.94 3.80 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.89 0.00 0.00 27 G 8.32 3.58 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 0.00 0.00 0.00 0.00 28 L 7.88 3.90 0.00 1.80 1.82 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.11 3.99 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 30 K 8.33 4.07 0.00 2.02 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 31 A 7.96 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 32 M 8.41 4.17 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 33 E 8.28 4.06 0.00 2.19 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 2.32 2.63 0.00 34 E 7.88 4.17 0.00 2.13 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 2.34 2.48 0.00 35 T 7.43 4.66 4.42 0.00 0.00 0.00 0.00 0.00 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 36 K 7.85 3.93 0.00 1.88 1.92 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.53 7.81 37 D 7.83 4.80 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.68 4.48 0.00 2.91 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.99 0.00 1.95 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 2.31 2.33 0.00 40 L 8.42 4.46 0.00 1.63 1.62 0.93 1.01 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 41 L 8.18 4.71 0.00 1.63 1.58 0.91 0.95 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 42 T 8.54 4.26 4.27 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 0.00 0.00 0.00 1.28 0.00 0.00 43 Y 8.53 4.16 0.00 2.93 3.01 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 0.00 0.00 0.00 44 D 8.04 4.30 0.00 2.70 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 45 E 7.98 4.05 0.00 2.06 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 2.30 2.35 0.00 46 I 6.94 3.91 1.85 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 1.33 0.57 0.96 0.00 0.00 47 K 8.27 4.06 0.00 1.79 1.61 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.34 7.81