NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1862 8.4444 120.2267 55.9377 30.6655 175.1558 2 C 3.9580 8.8715 124.7334 56.9498 43.6131 171.6700 3 R 4.2435 8.4543 125.1931 55.1635 29.9648 175.7954 4 Y 4.4785 8.4034 126.3542 57.1375 39.9490 174.0702 5 L 3.4366 6.7952 120.8938 56.9959 41.8928 176.9157 6 F 3.8619 8.4674 128.6417 58.5398 37.9638 173.7451 7 G 4.0383 7.7646 106.0440 43.4583 0.0000 173.8960 8 G 4.2297 8.8115 112.9303 47.1351 0.0000 171.3721 9 C 5.2055 8.9028 120.8360 53.5119 43.6343 174.8990 10 K 3.8590 8.7459 121.8184 58.8815 32.2244 176.1626 11 T 4.4769 7.1657 111.3888 61.5614 70.2681 173.5242 12 T 4.0791 8.4274 117.9697 66.3979 68.5577 176.2508 13 S 4.5593 8.4186 114.7189 58.5655 62.5989 174.1795 14 D 4.8154 8.0017 119.2246 54.5392 41.2328 174.8957 15 C 5.1136 7.3453 115.1528 54.6029 43.8910 175.2505 16 C 4.5512 8.5431 115.2270 57.0563 36.9770 173.8239 17 K 4.0689 8.2264 119.5096 59.8724 32.8007 177.8446 18 H 4.4689 8.1655 116.2718 58.0547 29.7230 174.7802 19 L 5.0546 7.7775 117.7362 53.6486 43.7290 176.4960 20 G 4.1719 8.8141 108.0975 44.7945 0.0000 171.0169 21 C 5.0462 8.3453 125.4937 56.2204 42.8196 172.8514 22 K 4.7498 8.2551 124.6139 54.3928 32.9720 175.6742 23 F 4.7438 9.2584 121.5150 55.7512 35.0081 173.4351 24 R 4.0408 6.9370 130.7928 58.0251 33.1857 176.5575 25 D 4.0433 7.9227 121.2157 54.2058 41.3695 177.5148 26 K 4.1608 8.0014 119.5117 55.9309 31.6310 175.1352 27 Y 5.1071 7.2919 115.7710 55.4825 41.6707 173.9116 28 C 5.0671 8.4855 115.7881 55.5052 41.2574 173.0367 29 A 4.5578 8.0583 125.2004 48.9970 21.6823 175.3122 30 W 5.1883 7.8172 120.1467 57.2403 30.2301 175.9973 31 D 4.9476 8.8122 123.8642 54.3270 43.1250 174.9505 32 F 4.8418 8.6290 123.4987 59.5780 40.9281 173.8246 33 T 3.1285 8.3637 122.8909 62.7768 66.4074 172.3082 34 F 4.5234 8.0106 120.5320 56.7378 37.8961 176.3311 35 S 4.2467 8.2310 118.8698 58.7579 62.0110 174.9983 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 E 8.44 4.19 0.00 1.98 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 2.21 2.31 0.00 2 C 8.87 3.96 0.00 3.09 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 3 R 8.45 4.24 0.00 1.92 1.94 0.00 3.42 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 4 Y 8.40 4.48 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 5 L 6.80 3.44 0.00 0.30 1.10 -0.62 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.47 3.86 0.00 3.07 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 7 G 7.76 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.81 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 9 C 8.90 5.21 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.75 3.86 0.00 1.88 1.91 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.51 7.81 11 T 7.17 4.48 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 1.31 0.00 0.00 12 T 8.43 4.08 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 1.21 0.00 0.00 13 S 8.42 4.56 0.00 3.92 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 14 D 8.00 4.82 0.00 3.01 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 15 C 7.35 5.11 0.00 2.97 3.06 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 16 C 8.54 4.55 0.00 3.13 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 17 K 8.23 4.07 0.00 1.82 1.54 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 18 H 8.17 4.47 0.00 3.38 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.78 5.05 0.00 1.52 1.43 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.81 4.17 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 0.00 0.00 0.00 21 C 8.35 5.05 0.00 3.14 3.04 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 0.00 0.00 0.00 0.00 22 K 8.26 4.75 0.00 1.92 1.84 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.58 7.81 23 F 9.26 4.74 0.00 3.18 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 24 R 6.94 4.04 0.00 1.72 1.61 0.00 3.05 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.54 0.00 25 D 7.92 4.04 0.00 2.50 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.16 0.00 1.99 1.97 0.00 1.49 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.35 7.81 27 Y 7.29 5.11 0.00 2.72 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 28 C 8.49 5.07 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.06 4.56 0.92 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 0.00 0.00 30 W 7.82 5.19 0.00 3.18 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 31 D 8.81 4.95 0.00 2.86 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 32 F 8.63 4.84 0.00 2.93 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 33 T 8.36 3.13 4.07 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 1.05 0.00 0.00 34 F 8.01 4.52 0.00 3.03 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 35 S 8.23 4.25 0.00 3.76 3.61 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