NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3913 8.1233 123.5978 51.9280 21.4351 178.7288 5 K 3.7612 8.0431 112.8149 58.2694 32.5632 177.7721 6 W 4.2208 9.0889 128.9807 60.1224 31.0818 177.1357 7 D 4.5711 8.2672 118.7098 56.9547 40.5335 178.2058 8 Q 4.0214 8.9027 120.5989 58.8792 29.0229 178.0815 9 W 4.4173 8.6464 129.7609 60.7964 30.7482 178.0661 10 S 4.0658 8.4264 115.0985 61.5532 62.1724 176.6752 11 S 4.0853 8.1939 115.7702 61.6337 62.2188 176.0116 12 D 4.3107 8.4475 121.9424 57.0393 40.4230 178.6152 13 W 4.1021 7.8120 129.1314 60.1282 30.5868 178.2504 14 Q 3.8670 8.2024 118.2229 59.2028 28.1827 178.8749 15 T 3.8075 8.0619 116.8827 66.1620 68.4866 176.4567 16 W 4.1597 8.0685 130.1804 60.6759 30.6361 177.5660 17 N 3.6503 7.6944 116.0975 56.1559 37.9200 177.1659 18 A 3.8636 7.9135 122.0117 54.9010 18.4465 179.6806 19 K 3.7477 7.6221 118.0172 59.2435 32.3170 178.8707 20 W 3.7449 7.6506 128.8929 60.4338 30.4302 177.5249 21 D 4.2742 8.2455 119.1173 57.4573 40.2975 178.7214 22 Q 3.8228 7.9023 119.9044 58.7173 28.9779 177.9517 23 W 3.8422 7.9840 129.3970 60.3884 30.6446 177.7582 24 S 3.1688 7.8965 113.2193 61.2351 61.6317 175.7961 25 N 4.1924 8.0302 119.1438 56.5476 38.2017 177.1489 26 D 4.2182 7.5918 120.0727 56.8616 40.8502 178.6270 27 W 3.8405 7.6064 129.1650 60.0475 30.5536 177.7931 28 N 4.1524 8.3824 116.6150 56.3414 37.9984 177.1866 29 A 3.8955 8.0721 122.1798 54.8442 18.3837 179.5009 30 W 3.8034 8.1254 127.0251 60.3103 30.6582 178.1490 31 R 3.0430 7.8324 119.1352 59.2906 29.3491 178.7724 32 S 4.0062 7.7199 114.8772 61.5459 62.7003 176.3226 33 D 4.2292 7.9578 121.7393 56.9696 40.3963 178.7281 34 W 3.7602 7.4536 128.9222 60.4079 30.5310 178.1604 35 Q 3.6191 8.2774 117.9221 58.6753 28.0910 178.5962 36 A 3.8563 8.0306 121.9463 54.7669 18.3406 179.3126 37 W 3.9270 8.2497 127.2087 60.5528 30.6550 178.1356 38 K 2.7819 7.6294 119.6421 59.0047 31.4421 178.5832 39 D 4.2243 7.9061 119.3289 57.4268 40.6995 178.4274 40 D 4.2717 7.8420 119.3811 56.9248 40.7747 178.6529 41 W 3.9348 7.8185 128.7501 60.3570 30.6116 177.8363 42 A 3.6210 8.1494 120.6710 55.2207 17.8516 179.8810 43 R 3.7371 7.8677 116.5145 59.0851 30.0639 179.3868 44 W 4.0021 8.2083 118.9084 59.6129 28.9977 178.3738 45 N 4.3463 7.9047 116.5364 56.3182 37.8224 177.3016 46 Q 3.9450 7.9460 119.4033 59.0993 28.8813 179.0826 47 R 3.6912 7.7312 119.3840 59.1985 30.0161 178.5623 48 W 4.4585 8.1807 118.7014 59.3095 29.2419 178.2416 49 D 4.4371 8.3775 118.3370 57.5207 40.5147 177.9447 50 N 4.3609 8.2486 115.9325 56.2221 38.6213 176.8936 51 W 4.2597 8.0609 128.3131 60.2970 30.8562 177.4568 52 A 3.8940 8.4224 120.0339 53.6779 18.2715 177.8419 53 T 4.2248 7.6626 111.8944 62.0112 69.2089 174.2746 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 4 A 8.12 4.39 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 5 K 8.04 3.76 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.57 7.81 6 W 9.09 4.22 0.00 3.57 3.10 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 0.00 0.00 0.00 0.00 7 D 8.27 4.57 0.00 3.03 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 8 Q 8.90 4.02 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 9 W 8.65 4.42 0.00 3.24 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 10 S 8.43 4.07 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.09 0.00 3.93 4.14 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 0.00 0.00 0.00 12 D 8.45 4.31 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 13 W 7.81 4.10 0.00 2.39 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 3.87 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 15 T 8.06 3.81 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 1.23 0.00 0.00 16 W 8.07 4.16 0.00 3.29 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 17 N 7.69 3.65 0.00 2.62 2.62 0.00 0.00 6.99 7.41 0.00 0.00 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 A 7.91 3.86 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 19 K 7.62 3.75 0.00 1.96 1.52 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 20 W 7.65 3.74 0.00 2.19 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.27 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 22 Q 7.90 3.82 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 23 W 7.98 3.84 0.00 3.39 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 24 S 7.90 3.17 0.00 3.07 3.65 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 25 N 8.03 4.19 0.00 2.82 2.77 0.00 0.00 7.08 8.31 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 26 D 7.59 4.22 0.00 2.55 2.58 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 27 W 7.61 3.84 0.00 2.04 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 28 N 8.38 4.15 0.00 2.91 2.82 0.00 0.00 6.86 8.17 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 29 A 8.07 3.90 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 30 W 8.13 3.80 0.00 3.33 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 31 R 7.83 3.04 0.00 0.84 1.55 0.00 3.00 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 0.00 32 S 7.72 4.01 0.00 3.95 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 33 D 7.96 4.23 0.00 2.52 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.45 3.76 0.00 1.99 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 3.62 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 36 A 8.03 3.86 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 37 W 8.25 3.93 0.00 3.28 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 38 K 7.63 2.78 0.00 0.79 1.23 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 1.17 7.81 39 D 7.91 4.22 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.84 4.27 0.00 2.76 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 41 W 7.82 3.93 0.00 2.10 2.36 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 42 A 8.15 3.62 1.37 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 0.00 0.00 0.00 43 R 7.87 3.74 0.00 1.84 1.66 0.00 2.99 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 44 W 8.21 4.00 0.00 3.40 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.35 0.00 2.60 2.62 0.00 0.00 6.99 7.86 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 46 Q 7.95 3.95 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 47 R 7.73 3.69 0.00 1.51 1.80 0.00 2.21 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.24 0.00 48 W 8.18 4.46 0.00 3.52 3.24 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 0.00 49 D 8.38 4.44 0.00 2.98 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 50 N 8.25 4.36 0.00 2.87 2.88 0.00 0.00 7.05 8.32 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 51 W 8.06 4.26 0.00 3.24 3.52 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 0.00 0.00 0.00 0.00 52 A 8.42 3.89 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.66 4.22 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 1.35 0.00 0.00