NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5211 8.0433 122.7560 55.2249 44.0813 175.0456 2 T 4.9287 9.0793 122.6637 61.5592 71.3805 171.2474 3 C 5.2931 9.2104 123.1796 54.7657 44.6891 173.3676 4 V 4.2995 8.7122 122.3419 63.3644 31.2240 175.8319 5 T 4.5208 8.7220 116.0598 61.3448 71.0542 173.6618 6 S 4.6274 7.5283 114.3373 57.4089 66.0374 173.6801 7 K 4.9780 8.6258 122.4731 54.9588 34.3684 175.9589 8 S 4.7657 8.6344 123.5326 57.5191 63.7585 173.7625 9 I 3.6093 8.4184 117.5614 64.1271 36.8752 176.7396 10 F 5.0022 7.5580 113.8408 56.5769 40.4460 174.4313 11 G 4.0601 7.2299 108.9945 45.2319 0.0000 171.8975 12 I 5.0980 8.2687 111.7381 59.3413 40.9654 174.8497 13 T 4.8184 8.6146 119.1813 61.9966 71.2482 173.6522 14 T 5.1360 8.4564 114.3158 59.9699 72.5327 172.7320 15 E 4.7025 8.9679 120.3707 54.5122 34.0607 174.5804 16 N 4.9088 8.7906 122.9308 53.2303 39.4441 175.4059 17 C 4.6050 9.4091 125.0971 56.1309 41.6780 172.4297 18 P 4.4565 0.0000 0.0000 62.0949 31.7088 175.4957 19 D 4.4190 8.5129 119.9713 56.3303 41.2765 177.3793 20 G 3.8999 8.9203 113.2398 45.6093 0.0000 173.6376 21 Q 4.4605 7.9511 119.1155 54.8349 27.7510 174.5630 22 N 5.0010 8.4760 119.3568 52.5685 39.4140 174.7584 23 L 5.1227 7.7849 117.3623 53.2726 45.8875 175.0191 24 C 5.4247 9.3016 120.1588 55.5280 38.1173 172.8008 25 F 5.6498 8.7992 116.3452 55.0919 41.6266 173.7084 26 K 4.6049 9.2060 118.8411 54.5537 36.0246 175.3663 27 R 5.1192 8.5237 123.9356 54.5204 33.7805 173.6876 28 W 5.2427 10.0108 127.1384 55.5040 30.8411 174.7037 29 Q 4.9858 9.3947 128.1657 54.4509 30.1954 174.4556 30 Y 3.0867 9.0823 128.6602 57.6068 39.3917 174.7898 31 I 4.0015 7.1902 127.6380 62.4029 38.8986 175.5411 32 S 4.1062 6.2898 111.6754 56.3843 65.2339 173.3508 33 P 4.4334 0.0000 0.0000 65.2298 30.9617 177.7069 34 R 4.7416 7.7904 114.8573 55.6470 31.0322 174.9480 35 M 4.9260 8.2224 117.4320 54.0642 36.4327 173.7351 36 Y 5.0794 8.8220 120.2044 56.1924 41.7187 174.2190 37 D 4.9706 9.1535 123.3289 52.6820 43.4054 174.5146 38 F 5.4131 8.9089 128.2510 56.6664 41.2689 174.4428 39 T 4.4828 7.8292 115.4981 60.0491 72.6192 172.7579 40 R 3.6257 6.8929 116.6667 54.6940 32.6451 175.3326 41 G 3.7871 5.9298 105.7600 46.5260 0.0000 171.2228 42 C 5.0650 8.4591 116.9174 56.4285 35.9433 172.7115 43 A 4.7411 8.7375 123.4173 51.2295 21.9921 177.4583 44 A 4.3437 8.5502 123.1799 53.8965 19.3353 177.9097 45 T 4.6902 7.3611 103.2367 59.6741 72.0424 173.6333 46 C 4.4655 8.5548 122.3951 54.9778 44.2982 171.5620 47 P 4.2153 0.0000 0.0000 62.7450 31.4554 175.7142 48 K 4.0779 8.3915 122.9199 55.8491 32.7814 176.2648 49 A 4.2803 8.5357 129.5309 51.9018 19.4152 176.4690 50 E 4.6827 8.9630 122.0042 54.0665 31.9991 175.0100 51 Y 4.4071 8.2872 121.1428 59.6233 39.0059 176.8309 52 R 3.9318 8.5192 124.3413 56.0366 28.2004 176.1995 53 D 5.1321 7.7767 117.5249 54.2637 42.0043 175.9269 54 V 4.6597 9.1849 120.9595 61.3550 34.5471 174.4525 55 I 5.4286 8.6399 127.1725 59.6899 41.0813 173.9337 56 N 5.2125 9.4103 124.6428 52.0158 41.7996 172.3290 57 C 5.7963 8.9058 122.4972 55.4791 41.4618 172.0048 58 C 4.9176 9.3436 116.6330 54.1138 45.3854 174.2889 59 G 4.2259 8.6335 106.0874 45.1832 0.0000 172.5195 60 T 4.6641 7.5691 108.8531 58.6836 71.6342 172.8976 61 D 4.6755 8.7406 121.7827 56.3101 41.1914 176.7114 62 K 3.9094 9.5026 123.0727 57.3089 30.3469 174.8436 63 C 4.4345 8.2282 114.4546 57.4959 41.6598 173.7698 64 N 4.8319 7.9203 117.2121 52.2351 37.2531 174.9673 65 K 4.0470 8.0105 124.0970 57.9214 32.3824 176.3804 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 8.04 4.52 0.00 1.80 1.61 1.01 0.47 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 2 T 9.08 4.93 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 1.25 0.00 0.00 3 C 9.21 5.29 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.71 4.30 2.13 0.00 0.00 0.00 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 0.92 0.00 0.00 5 T 8.72 4.52 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 1.13 0.00 0.00 6 S 7.53 4.63 0.00 3.85 3.67 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 0.00 0.00 0.00 0.00 7 K 8.63 4.98 0.00 1.64 1.67 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.42 7.81 8 S 8.63 4.77 0.00 3.80 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 9 I 8.42 3.61 1.25 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 -0.04 0.00 0.00 10 F 7.56 5.00 0.00 3.02 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 11 G 7.23 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 12 I 8.27 5.10 1.95 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 1.36 0.79 0.95 0.00 0.00 13 T 8.61 4.82 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 1.20 0.00 0.00 14 T 8.46 5.14 4.29 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 1.20 0.00 0.00 15 E 8.97 4.70 0.00 1.84 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 2.20 2.21 0.00 16 N 8.79 4.91 0.00 2.73 2.73 0.00 0.00 7.12 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 17 C 9.41 4.60 0.00 2.93 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 18 P 0.00 4.46 0.00 2.18 1.97 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 19 D 8.51 4.42 0.00 2.61 2.60 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 20 G 8.92 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.95 4.46 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.28 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 22 N 8.48 5.00 0.00 2.70 2.81 0.00 0.00 6.95 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.78 5.12 0.00 1.77 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.30 5.42 0.00 2.83 2.91 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 0.00 0.00 0.00 25 F 8.80 5.65 0.00 3.02 3.09 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 0.00 0.00 0.00 0.00 26 K 9.21 4.60 0.00 1.61 1.28 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.23 1.33 7.81 27 R 8.52 5.12 0.00 1.90 1.75 0.00 3.12 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 28 W 10.01 5.24 0.00 3.43 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.39 4.99 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 30 Y 9.08 3.09 0.00 2.79 2.67 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 0.00 0.00 0.00 0.00 31 I 7.19 4.00 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.78 0.00 0.00 32 S 6.29 4.11 0.00 3.82 3.76 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 33 P 0.00 4.43 0.00 2.09 2.26 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 34 R 7.79 4.74 0.00 1.75 1.90 0.00 3.19 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 35 M 8.22 4.93 0.00 1.84 1.73 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 2.46 2.49 0.00 36 Y 8.82 5.08 0.00 2.92 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 37 D 9.15 4.97 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 5.41 0.00 2.97 2.90 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 0.00 0.00 0.00 39 T 7.83 4.48 4.21 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 1.14 0.00 0.00 40 R 6.89 3.63 0.00 1.41 1.38 0.00 2.99 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.38 0.00 41 G 5.93 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 0.00 0.00 0.00 42 C 8.46 5.06 0.00 3.06 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 43 A 8.74 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.55 4.34 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 45 T 7.36 4.69 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 1.20 0.00 0.00 46 C 8.55 4.47 0.00 2.97 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 47 P 0.00 4.22 0.00 1.95 1.74 0.00 3.63 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.32 0.00 48 K 8.39 4.08 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 A 8.54 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.96 4.68 0.00 2.17 1.92 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 2.27 2.39 0.00 51 Y 8.29 4.41 0.00 2.81 2.86 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 0.00 52 R 8.52 3.93 0.00 1.29 1.89 0.00 2.21 0.00 0.00 2.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 53 D 7.78 5.13 0.00 2.79 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 54 V 9.18 4.66 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.88 0.00 0.00 55 I 8.64 5.43 1.99 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 1.35 0.95 1.06 0.00 0.00 56 N 9.41 5.21 0.00 2.95 2.81 0.00 0.00 6.72 7.14 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 57 C 8.91 5.80 0.00 2.91 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 58 C 9.34 4.92 0.00 2.98 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 4.23 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 0.00 60 T 7.57 4.66 4.25 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 1.22 0.00 0.00 61 D 8.74 4.68 0.00 2.69 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 62 K 9.50 3.91 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.35 7.81 63 C 8.23 4.43 0.00 3.12 3.28 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 64 N 7.92 4.83 0.00 2.75 2.88 0.00 0.00 6.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.01 4.05 0.00 1.90 1.91 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.43 7.81