NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3476 8.3001 120.3121 55.6340 33.0779 174.6326 2 A 4.2197 8.2966 121.6446 51.7412 19.0225 176.5714 3 T 4.0015 7.8312 111.7952 63.3390 70.0684 172.0973 4 T 4.5551 8.1577 116.0231 59.5051 71.4467 174.4092 5 T 4.1412 8.3192 119.2109 63.3635 67.5989 174.2310 6 L 4.7599 8.1023 125.8827 52.2280 44.5798 176.8183 7 G 3.7624 8.4516 109.9791 45.3593 0.0000 173.4536 8 V 4.4274 8.0525 123.4501 60.8036 34.9044 174.5582 9 K 4.4385 8.4420 123.1775 55.0330 32.5665 176.4866 10 L 4.7513 8.0578 123.0969 52.1965 45.7405 176.6806 11 D 4.6767 8.4059 122.0642 53.4876 43.2278 177.3694 12 D 4.4090 8.5945 122.2860 57.3327 40.9304 177.6588 13 P 4.2935 0.0000 0.0000 66.1892 31.1669 178.5029 14 T 3.8649 7.7341 115.1063 66.2796 68.4649 176.3785 15 R 3.8557 8.5095 121.1279 59.5729 30.0927 178.4683 16 E 3.9840 8.2472 118.3453 59.3435 29.3399 179.2332 17 R 3.9228 8.3274 119.2320 59.4150 30.1095 178.5330 18 L 3.8073 8.1050 119.0516 57.5952 41.5298 179.4107 19 K 3.9303 7.8819 118.8753 59.4523 32.1110 178.7365 20 A 3.9798 8.4227 121.2976 55.0767 18.1987 179.4502 21 A 3.8572 8.7924 120.2115 55.0807 18.3351 179.6696 22 A 3.8698 8.2858 119.6134 55.5596 18.3726 179.9475 23 Q 3.7932 8.3695 116.9160 59.2688 28.5380 179.2535 24 S 4.1770 8.4974 115.7211 60.6471 62.9103 175.4931 25 I 4.1686 7.6087 118.4869 59.5196 38.4993 174.5877 26 D 4.4639 7.7852 116.4961 56.4298 38.6497 173.6514 27 R 4.8836 8.6040 116.5528 53.9710 34.0542 176.5383 28 T 4.2186 8.5575 114.3388 61.1334 69.4050 173.6734 29 P 4.2214 0.0000 0.0000 66.2178 31.4904 178.1831 30 H 4.1710 8.3206 116.1822 59.1227 29.8019 176.9816 31 W 4.6457 8.3084 129.6198 60.4670 30.4300 177.4607 32 L 3.6120 8.8594 121.4922 58.1909 41.4465 178.9748 33 I 3.7934 8.3632 120.1617 64.2396 36.9600 178.5438 34 K 4.0305 7.9545 118.9770 59.6866 31.6877 179.5026 35 Q 4.0524 8.3226 117.9635 58.9245 27.9841 178.0292 36 A 3.9651 8.8273 123.9040 55.0167 18.3261 179.3123 37 I 3.8880 7.5930 116.4591 63.7954 38.1798 177.8329 38 F 4.3573 8.4944 121.7327 61.3877 39.3384 176.8345 39 N 3.5488 8.9662 117.3726 56.0008 38.7032 176.1999 40 Y 4.0738 7.4616 120.2054 60.6527 38.8781 178.1012 41 L 3.7311 7.6424 119.5122 57.6269 41.4960 179.0503 42 E 3.8318 7.7850 118.4999 59.1884 29.5637 178.7686 43 K 4.0288 8.1666 118.2008 59.0524 32.2005 178.8458 44 L 4.0923 7.2253 117.9514 57.5997 40.7504 177.2506 45 E 4.2034 7.8793 123.8847 56.5971 29.5887 176.2608 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 M 8.30 4.35 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 2 A 8.30 4.22 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 3 T 7.83 4.00 4.26 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 1.24 0.00 0.00 4 T 8.16 4.56 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 5 T 8.32 4.14 4.26 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 1.23 0.00 0.00 6 L 8.10 4.76 0.00 1.61 1.56 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.45 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 0.00 0.00 0.00 8 V 8.05 4.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 9 K 8.44 4.44 0.00 1.74 1.72 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.50 7.81 10 L 8.06 4.75 0.00 1.55 1.48 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.41 4.68 0.00 2.82 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 12 D 8.59 4.41 0.00 2.75 2.72 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 0.00 0.00 0.00 13 P 0.00 4.29 0.00 2.25 2.30 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 14 T 7.73 3.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 15 R 8.51 3.86 0.00 1.98 2.14 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 16 E 8.25 3.98 0.00 2.25 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 2.33 2.48 0.00 17 R 8.33 3.92 0.00 1.97 2.03 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 18 L 8.11 3.81 0.00 1.97 1.68 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.88 3.93 0.00 1.84 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 20 A 8.42 3.98 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 21 A 8.79 3.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.87 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.37 3.79 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 24 S 8.50 4.18 0.00 3.93 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 25 I 7.61 4.17 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.88 0.00 0.00 26 D 7.79 4.46 0.00 2.84 2.76 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 27 R 8.60 4.88 0.00 1.56 1.74 0.00 2.71 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 28 T 8.56 4.22 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 P 0.00 4.22 0.00 2.24 2.16 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 30 H 8.32 4.17 0.00 3.31 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.31 4.65 0.00 3.37 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 32 L 8.86 3.61 0.00 1.60 1.80 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.36 3.79 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.92 0.00 0.00 34 K 7.95 4.03 0.00 2.33 2.11 0.00 1.57 0.00 0.00 1.96 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.60 7.81 35 Q 8.32 4.05 0.00 1.80 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.55 0.00 0.00 0.00 0.00 0.00 1.46 2.17 0.00 36 A 8.83 3.97 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 37 I 7.59 3.89 1.90 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 1.46 1.33 1.11 0.00 0.00 38 F 8.49 4.36 0.00 3.15 3.37 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 39 N 8.97 3.55 0.00 2.25 2.72 0.00 0.00 6.63 7.28 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 40 Y 7.46 4.07 0.00 3.25 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 41 L 7.64 3.73 0.00 1.97 1.70 1.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.78 3.83 0.00 1.47 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 2.19 2.25 0.00 43 K 8.17 4.03 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.69 7.81 44 L 7.23 4.09 0.00 1.62 1.45 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.88 4.20 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00