NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2957 8.3044 120.3500 54.6007 33.3557 174.4339 2 K 3.4981 8.7347 126.0299 56.7994 32.0887 174.9935 3 R 4.4918 8.1591 126.0489 54.9491 32.5249 176.3878 4 T 3.9373 8.4016 108.9130 64.0740 68.9283 174.3413 5 F 4.5491 8.0399 124.0661 56.6841 38.2624 173.9280 6 Q 4.0979 7.9855 126.5196 53.2252 28.7505 174.3694 7 P 3.6577 0.0000 0.0000 62.2698 32.6423 175.9086 8 S 4.3979 7.9249 109.9479 56.6855 65.2913 176.8366 9 V 3.9276 8.1449 127.7325 63.7776 31.8515 178.2184 10 L 3.9244 7.8093 120.7779 58.2319 42.1289 179.0090 11 K 4.1166 7.8808 118.5259 58.8154 31.9470 179.6891 12 R 3.9887 7.7838 116.3432 59.6664 29.5365 178.7616 13 N 4.4163 8.4072 118.2593 55.6761 38.2714 177.6985 14 R 3.9982 7.7637 118.5223 58.6941 30.1439 178.5961 15 S 4.4228 7.6810 113.7086 60.2011 63.5944 174.8307 16 H 4.7934 7.9210 114.2881 54.9486 29.9525 174.0544 17 G 4.4864 7.7965 108.9598 44.7109 0.0000 174.3222 18 F 3.9177 8.8070 119.9389 61.4789 39.1037 177.1389 19 R 4.2084 8.2736 116.1273 59.4098 30.3791 178.5995 20 A 4.1378 7.9736 120.0468 54.9281 18.4332 179.5029 21 R 3.8126 7.9150 117.5342 59.3282 29.9405 177.5524 22 M 4.1167 8.0436 115.4885 55.9542 32.4151 175.9164 23 A 4.5116 7.1252 119.9258 52.4961 19.4071 176.8091 24 T 4.2625 7.5756 109.1219 60.4513 70.2917 173.5591 25 K 3.8866 8.7648 130.2683 60.2722 31.9789 178.4780 26 N 4.5303 8.1052 114.3568 55.5163 38.7483 177.5440 27 G 4.1617 7.9686 109.0645 47.6832 0.0000 175.8375 28 R 3.8192 8.0306 120.8779 59.1813 30.0208 179.0035 29 Q 3.9330 7.8383 117.5688 58.5034 28.6757 178.8459 30 V 3.5585 7.8239 119.7067 66.0104 31.5824 178.1074 31 L 3.9120 7.7410 117.9485 57.5869 41.4491 178.7334 32 A 3.9479 8.4635 121.1456 55.5437 18.2697 179.5571 33 R 3.8626 8.0072 115.7489 59.6512 30.2011 179.4677 34 R 3.8531 7.8545 117.0495 59.4737 29.9291 179.0576 35 R 3.9025 8.1384 116.5428 59.6627 30.1864 178.6295 36 A 4.1288 7.9326 119.1791 54.8898 18.4295 179.2123 37 K 4.0652 8.2312 117.9583 59.4257 32.3170 177.7165 38 G 4.1317 8.2684 105.3985 45.0332 0.0000 173.5542 39 R 3.8551 8.0013 118.6442 56.7344 30.2588 176.2813 40 A 4.2192 8.4716 125.5296 53.6175 19.0039 177.7917 41 R 4.5203 7.5427 113.8839 53.8640 31.5747 175.5411 42 L 4.0993 8.5914 123.8042 57.4923 42.1260 178.2246 43 T 4.3993 7.9357 105.6614 63.9142 71.4880 174.0225 44 V 3.8944 8.1189 122.7895 61.9570 32.2451 169.0864 45 S 4.4307 8.1293 124.1036 57.6223 65.9297 174.0084 46 K 4.1183 8.7206 122.7943 57.7404 31.9020 177.6282 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 4.30 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.73 3.50 0.00 1.83 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 R 8.16 4.49 0.00 1.87 1.91 0.00 3.45 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 4 T 8.40 3.94 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 1.25 0.00 0.00 5 F 8.04 4.55 0.00 2.95 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 6 Q 7.99 4.10 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 7 P 0.00 3.66 0.00 2.06 1.63 0.00 3.57 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 8 S 7.92 4.40 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.93 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 0.76 0.00 0.00 0.95 0.00 0.00 10 L 7.81 3.92 0.00 1.78 1.70 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.88 4.12 0.00 1.82 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 R 7.78 3.99 0.00 2.18 2.56 0.00 2.86 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 13 N 8.41 4.42 0.00 2.82 2.96 0.00 0.00 7.14 7.21 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 14 R 7.76 4.00 0.00 2.03 1.99 0.00 3.15 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 15 S 7.68 4.42 0.00 3.55 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 16 H 7.92 4.79 0.00 3.11 3.31 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.80 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 3.92 0.00 3.13 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 19 R 8.27 4.21 0.00 1.91 2.09 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 20 A 7.97 4.14 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 21 R 7.92 3.81 0.00 2.05 1.86 0.00 3.04 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 22 M 8.04 4.12 0.00 2.04 1.66 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 23 A 7.13 4.51 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 24 T 7.58 4.26 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 1.21 0.00 0.00 25 K 8.76 3.89 0.00 1.89 1.81 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 N 8.11 4.53 0.00 2.72 2.85 0.00 0.00 6.86 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 27 G 7.97 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.82 0.00 1.98 1.97 0.00 3.11 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 29 Q 7.84 3.93 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 30 V 7.82 3.56 2.23 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 1.01 0.00 0.00 0.94 0.00 0.00 31 L 7.74 3.91 0.00 1.82 1.63 0.43 0.83 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 32 A 8.46 3.95 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 33 R 8.01 3.86 0.00 2.03 2.00 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 34 R 7.85 3.85 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 35 R 8.14 3.90 0.00 1.97 2.03 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 36 A 7.93 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 4.07 0.00 1.82 1.99 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 38 G 8.27 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.00 3.86 0.00 1.93 1.88 0.00 3.28 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 40 A 8.47 4.22 1.29 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 0.00 0.00 0.00 41 R 7.54 4.52 0.00 1.83 1.85 0.00 3.14 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 42 L 8.59 4.10 0.00 1.73 1.78 0.94 0.91 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 43 T 7.94 4.40 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 44 V 8.12 3.89 2.12 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 0.80 0.00 0.00 0.94 0.00 0.00 45 S 8.13 4.43 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.72 4.12 0.00 1.71 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81