NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2416 8.5298 119.7234 55.5386 33.3982 175.8698 2 T 4.1043 8.5282 114.7649 60.4474 71.3940 174.1273 3 I 3.6816 8.9222 122.2542 64.7654 37.5212 179.6431 4 D 4.4093 8.0979 119.0824 57.2883 40.6154 178.6790 5 E 3.9940 7.8842 119.4209 59.2817 29.5049 179.2063 6 I 3.7223 7.8414 119.9492 64.6099 37.2326 178.6118 7 I 3.7597 7.9014 120.5593 64.1833 36.6414 178.1482 8 E 4.0700 7.9762 119.3289 59.2286 29.8637 178.4324 9 A 4.1411 8.3252 121.1409 55.2396 18.5704 179.6759 10 I 3.7052 7.8595 118.3538 64.5790 36.9585 178.5132 11 E 4.0781 8.0274 118.1503 58.7332 29.3067 178.7920 12 K 4.2174 7.5918 116.7371 56.8936 32.7285 177.4367 13 L 4.2656 6.9057 118.9187 54.7993 42.1826 177.5618 14 T 4.3387 8.5235 112.8806 60.8652 71.4102 176.2142 15 V 3.5679 8.1363 119.5369 66.0758 31.4230 177.8006 16 S 4.1354 8.0419 114.4762 61.8149 62.7730 176.4442 17 E 3.9931 8.2335 121.1426 59.1897 29.1316 179.1372 18 L 3.9459 8.2113 120.5253 58.1601 42.1546 178.9078 19 A 3.9952 8.1394 120.7010 55.1329 18.2166 179.2755 20 E 3.8991 8.0814 117.5973 59.1160 29.6904 178.6948 21 L 3.9302 7.9598 120.5097 58.1023 42.1798 179.1436 22 V 3.5695 7.9363 118.1378 65.9211 31.3725 177.6964 23 K 4.1502 7.9099 120.6616 58.9832 31.8969 178.8637 24 K 4.1271 8.2898 118.6654 59.4578 32.0994 179.3237 25 L 4.0946 8.4268 119.7118 57.8741 41.4638 179.5681 26 E 4.0510 8.3658 118.5186 59.4385 29.2040 179.0856 27 D 4.4039 7.5977 117.6697 57.3893 41.0444 178.6740 28 K 3.8728 7.9778 118.5016 57.6678 32.1851 176.7343 29 F 4.7669 9.3785 112.9566 55.6104 40.8477 175.1484 30 G 3.5873 9.2594 116.8992 46.2857 0.0000 172.5538 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 8.53 5.24 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 T 8.53 4.10 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 1.24 0.00 0.00 3 I 8.92 3.68 1.87 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 1.63 0.78 0.90 0.00 0.00 4 D 8.10 4.41 0.00 2.72 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 5 E 7.88 3.99 0.00 2.19 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 2.33 2.35 0.00 6 I 7.84 3.72 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.92 0.00 0.00 7 I 7.90 3.76 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.91 0.00 0.00 8 E 7.98 4.07 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 9 A 8.33 4.14 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 10 I 7.86 3.71 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.92 0.00 0.00 11 E 8.03 4.08 0.00 2.13 2.02 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 2.35 2.58 0.00 12 K 7.59 4.22 0.00 1.93 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.62 7.81 13 L 6.91 4.27 0.00 1.77 1.61 0.93 0.65 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 14 T 8.52 4.34 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 1.25 0.00 0.00 15 V 8.14 3.57 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 1.06 0.00 0.00 0.93 0.00 0.00 16 S 8.04 4.14 0.00 3.90 3.90 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 17 E 8.23 3.99 0.00 2.28 2.00 0.00 0.00 0.00 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 2.32 0.00 18 L 8.21 3.95 0.00 1.82 1.85 0.93 1.22 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 19 A 8.14 4.00 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 20 E 8.08 3.90 0.00 2.03 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 0.00 2.30 2.31 0.00 21 L 7.96 3.93 0.00 1.95 1.85 0.94 0.72 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 22 V 7.94 3.57 2.24 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 0.95 0.00 0.00 0.99 0.00 0.00 23 K 7.91 4.15 0.00 1.98 1.99 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 K 8.29 4.13 0.00 2.00 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.58 7.81 25 L 8.43 4.09 0.00 1.89 1.87 0.98 1.07 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 26 E 8.37 4.05 0.00 2.23 2.02 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 2.36 2.54 0.00 27 D 7.60 4.40 0.00 2.68 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 K 7.98 3.87 0.00 1.42 1.18 0.00 1.46 0.00 0.00 1.04 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.05 7.81 29 F 9.38 4.77 0.00 3.24 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.26 3.59 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 0.00 0.00 0.00