NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.8203 8.0093 121.2768 60.1957 39.4170 175.0539 4 K 4.4118 7.4270 119.5128 54.8671 34.6503 170.8645 5 V 4.3814 8.8354 114.2498 59.9501 36.1410 176.3369 6 R 4.4447 8.5111 123.1927 54.3995 31.4985 174.7474 7 E 4.1851 8.3123 122.5497 55.1577 31.7955 175.1366 8 N 5.1082 7.5802 125.5686 53.1669 37.1193 176.3587 9 E 4.3180 9.1971 125.0441 58.6596 30.1975 174.0841 10 P 4.8265 0.0000 0.0000 58.9001 32.8712 175.6682 11 F 4.7352 8.2899 115.4496 58.2037 40.2758 172.3475 12 D 4.7782 7.8380 130.0714 55.4303 41.8875 177.5965 13 V 4.0429 7.6367 117.7733 60.5075 32.6899 176.2626 14 A 4.0218 8.5702 123.6096 55.6419 18.4084 179.6387 15 L 3.8558 7.9695 111.1433 55.5238 39.4448 176.1013 16 R 4.3514 7.2533 121.6804 55.4990 28.4093 176.6284 17 R 4.4441 7.7112 116.2697 56.2668 30.5478 178.6741 18 F 4.4635 8.0619 123.6738 60.7905 39.5427 177.5534 19 K 4.1377 8.0937 119.3118 58.4968 32.2984 178.2640 20 R 4.3283 7.4867 115.1855 56.8447 29.8613 176.7543 21 S 4.6463 7.6335 112.9912 59.1021 63.4856 173.3947 22 C 4.8260 7.0053 117.2941 60.7804 35.3462 178.5434 23 E 4.4708 8.0213 123.3486 54.7394 30.2713 175.4526 24 K 3.5385 8.7891 125.1434 57.9474 32.6537 177.1095 25 A 3.8342 8.8463 115.3020 55.0155 17.6235 178.7132 26 G 3.9726 6.9967 100.4923 48.5369 0.0000 174.7204 27 V 4.1336 7.5462 118.5643 63.6681 32.1902 178.4473 28 L 4.0510 8.5040 118.5770 57.4426 41.5633 178.6080 29 A 4.2153 7.7423 119.0260 54.2745 18.4906 178.8362 30 E 4.0592 7.9617 117.5621 58.6818 31.3096 177.7573 31 V 4.0721 7.3936 120.2182 61.4451 29.9755 176.2658 32 R 4.7379 7.3864 116.7526 55.7121 32.2853 174.5341 33 R 4.2560 7.7624 117.0699 55.3063 33.9094 174.4966 34 R 4.0198 8.4086 114.9802 56.2424 30.6035 177.0425 35 E 3.9458 8.8597 119.8784 57.8699 28.0552 176.8515 36 F 3.6351 8.1151 117.1931 53.8829 39.7240 178.9298 37 Y 3.3600 8.9805 127.6949 58.8637 37.5625 169.6789 38 E 4.7140 9.5282 114.6006 56.5724 31.3177 176.1406 39 K 4.4582 7.7997 118.2424 57.5511 33.4351 174.9749 40 P 4.0216 0.0000 0.0000 65.1619 30.8527 178.0418 41 T 3.9858 8.0447 109.2240 64.1268 68.9204 175.4108 42 T 4.3578 8.7729 113.2450 64.2505 69.7438 176.0663 43 E 3.9794 8.2686 121.4283 59.3573 29.2940 178.6801 44 R 4.1820 7.9428 117.3283 57.4262 28.9386 178.1726 45 K 4.1936 7.7455 120.6191 58.3693 32.3559 177.2765 46 R 3.8771 7.8886 116.4918 56.2129 29.8550 176.4135 47 A 4.5270 7.3271 119.7631 52.7676 18.7471 178.1954 48 K 4.4805 7.7350 118.2574 57.5320 34.5978 178.1832 49 A 4.1061 7.5627 119.5655 54.2981 18.3496 178.0799 50 S 4.5424 7.6734 109.4443 58.5513 63.9813 174.1812 51 A 4.8746 7.5117 123.1661 51.2262 19.0611 175.8304 52 V 4.3173 7.5129 117.2834 61.2753 33.2997 176.3297 53 K 4.1767 8.5921 121.5618 55.8787 32.6820 176.1217 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 3 I 8.01 3.82 1.68 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.80 0.00 0.00 4 K 7.43 4.41 0.00 1.89 1.75 0.00 1.43 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.53 7.81 5 V 8.84 4.38 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 0.88 0.00 0.00 0.97 0.00 0.00 6 R 8.51 4.44 0.00 1.72 1.83 0.00 3.20 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 E 8.31 4.19 0.00 1.16 1.12 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 2.08 2.08 0.00 8 N 7.58 5.11 0.00 2.62 1.80 0.00 0.00 6.99 7.66 0.00 0.00 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 E 9.20 4.32 0.00 2.14 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 0.00 2.28 2.33 0.00 10 P 0.00 4.83 0.00 2.26 2.15 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 11 F 8.29 4.74 0.00 3.32 3.21 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 0.00 12 D 7.84 4.78 0.00 2.57 2.65 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 0.00 0.00 0.00 0.00 13 V 7.64 4.04 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 0.77 0.00 0.00 0.96 0.00 0.00 14 A 8.57 4.02 1.36 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 0.00 0.00 0.00 15 L 7.97 3.86 0.00 1.85 1.83 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.25 4.35 0.00 1.93 1.87 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 17 R 7.71 4.44 0.00 1.92 1.93 0.00 3.17 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 18 F 8.06 4.46 0.00 3.03 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 19 K 8.09 4.14 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.41 7.81 20 R 7.49 4.33 0.00 2.07 1.99 0.00 3.31 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 21 S 7.63 4.65 0.00 3.91 4.32 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 22 C 7.01 4.83 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.47 0.00 1.99 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 2.37 2.24 0.00 24 K 8.79 3.54 0.00 1.87 1.46 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.42 7.81 25 A 8.85 3.83 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 26 G 7.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.55 4.13 2.07 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 1.14 0.00 0.00 0.92 0.00 0.00 28 L 8.50 4.05 0.00 1.79 1.72 0.92 1.03 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 29 A 7.74 4.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.06 0.00 2.10 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 0.00 2.27 2.29 0.00 31 V 7.39 4.07 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 0.80 0.00 0.00 0.99 0.00 0.00 32 R 7.39 4.74 0.00 1.77 1.83 0.00 3.34 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 33 R 7.76 4.26 0.00 1.75 1.54 0.00 3.24 0.00 0.00 3.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 34 R 8.41 4.02 0.00 1.61 1.77 0.00 3.11 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 35 E 8.86 3.95 0.00 2.10 2.30 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 2.42 2.48 0.00 36 F 8.12 3.64 0.00 3.21 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 37 Y 8.98 3.36 0.00 3.20 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.53 4.71 0.00 2.05 1.98 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 2.29 2.41 0.00 39 K 7.80 4.46 0.00 2.19 2.34 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.41 1.54 7.81 40 P 0.00 4.02 0.00 2.24 2.10 0.00 3.98 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.95 0.00 41 T 8.04 3.99 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 1.32 0.00 0.00 42 T 8.77 4.36 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 1.27 0.00 0.00 43 E 8.27 3.98 0.00 2.08 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 2.51 2.62 0.00 44 R 7.94 4.18 0.00 1.96 1.95 0.00 3.11 0.00 0.00 3.01 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 45 K 7.75 4.19 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.55 7.81 46 R 7.89 3.88 0.00 1.95 1.88 0.00 3.15 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 47 A 7.33 4.53 1.27 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 0.00 0.00 0.00 48 K 7.74 4.48 0.00 1.77 1.71 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.47 7.81 49 A 7.56 4.11 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 50 S 7.67 4.54 0.00 3.90 3.91 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 51 A 7.51 4.87 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.51 4.32 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 0.87 0.00 0.00 0.93 0.00 0.00 53 K 8.59 4.18 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.33 7.81