NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2888 8.3044 120.3490 54.9377 32.6237 177.0084 2 K 4.0402 8.1260 113.0688 55.0461 33.2951 172.4819 3 K 4.4059 8.6058 127.3262 54.6876 35.0117 174.5836 4 R 4.7648 7.9962 119.9954 54.4583 32.7367 174.2218 5 L 4.5313 8.0275 120.4272 55.0117 42.9448 174.4251 6 T 4.4962 8.3720 117.5959 61.9021 69.9835 173.9420 7 I 4.7188 8.1143 118.6664 58.9906 40.9202 174.2287 8 T 4.6763 8.2057 109.1491 59.8009 71.0555 173.2727 9 L 4.8103 8.1544 123.4588 51.9956 45.8338 176.9106 10 S 4.2668 8.6936 118.3529 58.4862 64.2971 175.3584 11 E 3.8211 8.6480 127.6560 59.2860 29.7712 179.1611 12 S 4.0781 8.1553 113.8267 61.7793 62.7883 176.5762 13 V 3.5405 7.6711 122.0609 65.0011 31.3067 177.1409 14 L 4.0192 8.1094 120.3239 58.4572 41.8789 178.6038 15 E 3.9511 8.5372 118.4660 59.6051 29.4381 178.8253 16 N 4.2189 8.1204 116.7301 56.7151 38.9264 176.2984 17 L 3.8869 8.4896 122.0976 58.2038 42.2222 178.1448 18 E 3.8749 8.7994 119.7347 59.9010 29.3947 178.6657 19 K 3.8741 8.6572 118.2313 59.5628 32.0046 178.7646 20 M 3.9061 8.5745 118.5951 58.7819 32.0581 178.5828 21 A 3.9667 8.3890 120.6945 55.4424 18.6327 179.3748 22 R 3.8285 8.0390 116.4880 59.7490 29.9021 178.5298 23 E 3.9861 8.2460 117.0136 59.6552 29.6460 178.5917 24 M 4.4101 8.1694 115.3364 54.5441 32.2978 176.3970 25 G 3.9086 7.7943 106.6355 46.8036 0.0000 173.6441 26 L 4.8008 8.0192 118.3416 51.8785 45.0707 177.2759 27 S 4.4808 8.1645 114.9525 57.8070 65.2417 175.4146 28 K 3.9358 8.4405 121.8569 59.8178 31.7912 179.7352 29 S 4.1165 8.0940 114.6874 61.4256 62.7392 176.5399 30 A 3.9203 8.8318 124.0063 55.3591 18.1373 178.9394 31 M 3.8538 8.5631 117.1483 59.2368 32.2190 178.6071 32 I 3.6949 8.1085 119.7952 64.4473 37.2968 178.5434 33 S 4.1194 8.1625 116.1085 61.7066 62.5851 176.6646 34 V 3.5153 8.4812 120.8083 65.9216 31.1649 177.4719 35 A 4.1050 8.3036 120.5428 55.5073 18.1813 179.4127 36 L 4.2219 8.4269 117.2354 58.0950 41.5363 179.2544 37 E 3.9473 8.4273 117.4968 59.7882 29.8260 178.6132 38 N 4.3581 8.9903 117.3270 57.1423 38.7373 175.6740 39 Y 4.1012 8.6164 120.5489 60.8768 38.8851 177.7733 40 K 3.9541 8.2092 119.1637 59.2689 33.6206 177.9649 41 K 4.4296 7.6364 118.4848 53.9294 28.7750 177.2450 42 G 3.6108 7.2317 111.2357 46.0741 0.0000 171.5576 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 4.29 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 8.13 4.04 0.00 1.78 1.67 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.49 7.81 3 K 8.61 4.41 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 R 8.00 4.76 0.00 1.76 1.74 0.00 3.32 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 5 L 8.03 4.53 0.00 1.74 1.57 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.37 4.50 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 1.21 0.00 0.00 7 I 8.11 4.72 1.86 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 0.65 0.90 0.00 0.00 8 T 8.21 4.68 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 1.20 0.00 0.00 9 L 8.15 4.81 0.00 1.58 1.53 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.69 4.27 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.82 0.00 2.03 1.94 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 2.48 2.44 0.00 12 S 8.16 4.08 0.00 4.08 4.11 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 0.00 0.00 0.00 0.00 13 V 7.67 3.54 2.07 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 1.01 0.00 0.00 0.92 0.00 0.00 14 L 8.11 4.02 0.00 1.77 1.82 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.54 3.95 0.00 2.15 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 2.51 0.00 16 N 8.12 4.22 0.00 2.84 3.13 0.00 0.00 6.92 6.14 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 17 L 8.49 3.89 0.00 1.83 1.83 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.80 3.87 0.00 2.20 2.10 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 2.32 2.43 0.00 19 K 8.66 3.87 0.00 2.00 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 20 M 8.57 3.91 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 21 A 8.39 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.83 0.00 2.03 2.11 0.00 3.10 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 1.63 1.69 0.00 23 E 8.25 3.99 0.00 2.06 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 2.35 2.40 0.00 24 M 8.17 4.41 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 25 G 7.79 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 0.00 0.00 0.00 26 L 8.02 4.80 0.00 1.58 1.56 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.16 4.48 0.00 4.05 3.99 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 0.00 0.00 0.00 28 K 8.44 3.94 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.09 4.12 0.00 3.86 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 30 A 8.83 3.92 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 31 M 8.56 3.85 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 32 I 8.11 3.69 2.02 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 1.51 0.56 0.90 0.00 0.00 33 S 8.16 4.12 0.00 4.01 3.92 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 34 V 8.48 3.52 2.31 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 1.02 0.00 0.00 0.97 0.00 0.00 35 A 8.30 4.11 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 36 L 8.43 4.22 0.00 1.92 1.77 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.43 3.95 0.00 2.16 2.06 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 2.45 2.50 0.00 38 N 8.99 4.36 0.00 2.76 3.15 0.00 0.00 6.91 5.46 0.00 0.00 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 Y 8.62 4.10 0.00 2.98 3.27 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 40 K 8.21 3.95 0.00 1.90 2.16 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.53 7.81 41 K 7.64 4.43 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.67 1.58 7.81 42 G 7.23 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 0.00 0.00 0.00