NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4858 8.2893 120.3250 54.0948 34.3257 175.2904 2 Q 4.3836 7.3983 112.5989 53.8158 31.5522 171.1640 3 I 4.5563 8.4812 118.9095 59.5409 41.3754 176.2431 4 F 4.4888 8.5915 124.5414 57.8898 41.5818 173.4600 5 V 4.4916 7.8624 126.9388 60.9485 33.2364 174.1393 6 K 4.7608 8.4656 129.4041 54.8030 34.9642 174.8396 7 T 4.9858 8.0349 115.3880 59.6187 71.8781 174.7443 8 L 4.4519 8.5082 120.6564 55.6182 41.4013 177.6781 9 T 4.4188 7.8266 107.6480 61.1980 69.1567 174.5790 10 G 3.8707 8.6143 109.3013 45.8472 0.0000 172.9861 11 K 4.5275 7.7752 118.7574 54.3062 34.6239 174.8736 12 T 4.7616 8.3627 122.1365 61.7234 71.0146 173.0354 13 I 4.6126 7.8347 116.4351 59.5274 42.0135 174.3141 14 T 4.5995 8.1942 117.2041 62.1210 71.0666 173.8435 15 L 4.5820 8.3705 126.4258 53.5306 44.4002 176.1811 16 E 4.7954 8.6240 119.8311 54.7922 31.7276 175.1802 17 V 4.3710 7.8686 124.4847 60.3753 33.4644 175.1889 18 E 4.9059 8.7939 119.3454 56.5080 31.3871 176.1284 19 P 3.6422 0.0000 0.0000 65.6417 31.8022 177.7914 20 S 4.2065 7.9423 112.2461 60.7199 63.4797 174.2681 21 D 4.4746 8.8061 122.0843 54.0039 41.8645 175.8658 22 T 4.5410 8.1237 121.9144 62.7922 70.9153 176.2464 23 I 3.8219 8.1510 122.5204 64.5727 37.1382 178.5320 24 E 4.0123 8.5229 120.2179 59.0112 29.3281 178.6277 25 N 4.4983 7.9397 116.3150 56.0291 38.9534 177.3833 26 V 3.6658 7.7508 119.2529 65.7301 31.6337 178.2436 27 K 4.0400 7.9702 118.2020 59.1343 31.9700 179.1082 28 A 4.0594 7.6423 119.7637 54.5892 18.2975 179.3126 29 K 4.0502 7.9950 118.0710 58.9408 32.2967 179.1770 30 I 3.7128 7.8144 120.5986 64.1232 36.9708 177.7037 31 Q 4.2358 7.8180 121.5260 58.8003 28.5826 178.6308 32 D 4.3085 7.6883 117.7102 57.2163 40.9606 178.2574 33 K 4.1514 7.7808 118.3107 58.0924 32.4062 177.0897 34 E 4.4394 8.7861 116.7184 55.3378 31.3798 176.5005 35 G 3.7152 8.2280 106.3947 46.2430 0.0000 173.4330 36 I 4.2325 7.5316 121.1765 58.3283 37.9197 173.5697 37 P 4.3748 0.0000 0.0000 62.2894 31.7489 176.0963 38 P 4.9835 0.0000 0.0000 65.2666 31.3734 177.5093 39 D 4.5898 8.1141 115.8660 56.1358 40.7491 176.1540 40 Q 4.9180 7.9319 119.0034 54.5680 30.4911 175.4812 41 Q 4.5920 8.1149 118.2071 54.3931 32.4729 174.5013 42 R 4.6888 8.6613 124.0664 55.0777 32.3338 175.8998 43 L 5.2537 8.4097 121.8121 53.0362 45.2143 175.4378 44 I 5.6483 8.5749 122.4898 58.6535 41.5320 174.6197 45 F 4.8805 8.2862 127.0606 57.0169 42.3462 173.8960 46 A 3.2347 9.1813 129.3119 53.2035 15.6710 177.1863 47 G 3.8026 8.4949 104.5311 47.6316 0.0000 174.1142 48 K 4.4719 7.5454 117.4872 54.2248 34.7333 176.7477 49 Q 4.3184 8.7459 127.1532 55.4018 27.3933 174.2436 50 L 3.1235 7.4856 118.7430 52.7322 42.9128 177.1614 51 E 4.4840 8.7677 122.8057 55.3150 30.6159 176.1307 52 D 4.4192 8.3077 123.3721 57.6257 41.7228 177.9596 53 G 4.1344 7.6562 108.6511 43.3684 0.0000 173.8574 54 R 4.4610 7.4317 117.5904 55.0504 34.8973 175.7353 55 T 4.3558 8.5696 113.6457 61.7418 69.3082 174.9374 56 L 4.2009 8.4877 122.8882 58.4665 41.1312 179.3801 57 S 4.1331 8.0440 113.9588 61.0179 62.6512 175.5431 58 D 4.2259 7.5945 119.3824 57.2131 40.4888 176.6896 59 Y 4.7230 7.6506 114.0346 57.5867 38.0044 174.8441 60 N 4.1681 8.0430 115.1118 54.1906 36.6542 174.9713 61 I 3.1789 7.4101 118.8753 61.4127 37.0151 176.2985 62 Q 4.3228 8.0079 125.9914 54.1343 30.1116 174.8759 63 K 4.0207 8.4913 122.4078 57.9773 32.4323 175.6647 64 E 3.9214 9.2887 121.9489 57.0177 29.2094 174.6889 65 S 4.4569 7.7759 115.0605 59.3062 63.4447 174.2005 66 T 4.5622 8.7152 115.1807 62.0572 69.4468 174.3424 67 L 4.9531 9.2429 128.2898 54.1118 44.7325 175.1711 68 H 5.0825 8.4965 114.1997 54.9204 33.5693 172.7091 69 L 5.1034 8.6042 124.9691 53.3644 44.1418 175.5195 70 V 4.2425 8.3482 126.1662 61.5412 33.7347 174.8148 71 L 5.3490 8.5661 127.7313 51.9361 41.0751 174.1531 72 R 3.9825 8.1032 118.5220 56.1733 30.8582 176.3625 73 L 4.3173 8.2038 124.7343 54.5237 42.7452 174.3559 74 R 4.3494 8.2466 124.8123 55.4472 31.4372 177.2726 75 G 3.7551 8.2095 106.8823 46.5419 0.0000 173.4888 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 8.29 4.49 0.00 2.02 2.19 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 2.50 2.48 0.00 2 Q 7.40 4.38 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 3 I 8.48 4.56 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.87 0.00 0.00 4 F 8.59 4.49 0.00 3.14 2.92 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 5 V 7.86 4.49 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 0.83 0.00 0.00 0.90 0.00 0.00 6 K 8.47 4.76 0.00 1.73 1.56 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.36 7.81 7 T 8.03 4.99 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 1.17 0.00 0.00 8 L 8.51 4.45 0.00 1.67 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.83 4.42 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 10 G 8.61 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.78 4.53 0.00 1.78 1.59 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.33 7.81 12 T 8.36 4.76 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 13 I 7.83 4.61 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.86 0.00 0.00 14 T 8.19 4.60 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 L 8.37 4.58 0.00 1.54 1.55 0.96 0.82 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 16 E 8.62 4.80 0.00 1.79 1.86 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 2.20 2.25 0.00 17 V 7.87 4.37 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 0.86 0.00 0.00 0.92 0.00 0.00 18 E 8.79 4.91 0.00 2.07 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 2.15 2.20 0.00 19 P 0.00 3.64 0.00 2.06 2.12 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 20 S 7.94 4.21 0.00 3.97 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 21 D 8.81 4.47 0.00 2.75 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 22 T 8.12 4.54 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 1.29 0.00 0.00 23 I 8.15 3.82 2.33 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.07 0.97 0.00 0.00 24 E 8.52 4.01 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 25 N 7.94 4.50 0.00 3.09 2.90 0.00 0.00 6.80 7.68 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 26 V 7.75 3.67 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 1.02 0.00 0.00 1.04 0.00 0.00 27 K 7.97 4.04 0.00 1.97 1.98 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 28 A 7.64 4.06 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 29 K 8.00 4.05 0.00 2.02 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 30 I 7.81 3.71 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.89 0.00 0.00 31 Q 7.82 4.24 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.69 4.31 0.00 2.82 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 33 K 7.78 4.15 0.00 1.74 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 34 E 8.79 4.44 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 35 G 8.23 3.72 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 0.00 0.00 0.00 36 I 7.53 4.23 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.90 0.00 0.00 37 P 0.00 4.37 0.00 2.16 2.00 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 38 P 0.00 4.98 0.00 2.04 2.12 0.00 3.73 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 39 D 8.11 4.59 0.00 2.64 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 40 Q 7.93 4.92 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 41 Q 8.11 4.59 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 42 R 8.66 4.69 0.00 1.79 1.82 0.00 3.05 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 43 L 8.41 5.25 0.00 1.53 1.49 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.57 5.65 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.63 0.97 0.00 0.00 45 F 8.29 4.88 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.18 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.49 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.55 4.47 0.00 2.06 1.49 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 49 Q 8.75 4.32 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 50 L 7.49 3.12 0.00 1.60 1.30 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.77 4.48 0.00 2.22 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 2.42 2.51 0.00 52 D 8.31 4.42 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 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 54 R 7.43 4.46 0.00 1.91 1.71 0.00 3.16 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 55 T 8.57 4.36 4.40 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 1.26 0.00 0.00 56 L 8.49 4.20 0.00 1.91 1.99 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.04 4.13 0.00 3.94 3.86 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 58 D 7.59 4.23 0.00 2.42 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 0.00 0.00 0.00 59 Y 7.65 4.72 0.00 3.02 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 60 N 8.04 4.17 0.00 3.05 3.04 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.41 3.18 1.79 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.68 0.00 0.00 62 Q 8.01 4.32 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 63 K 8.49 4.02 0.00 1.75 1.71 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 E 9.29 3.92 0.00 2.19 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 0.00 2.21 2.23 0.00 65 S 7.78 4.46 0.00 3.83 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 66 T 8.72 4.56 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 67 L 9.24 4.95 0.00 1.63 1.73 0.91 1.07 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 68 H 8.50 5.08 0.00 3.16 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.60 5.10 0.00 1.59 1.50 0.96 0.99 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 70 V 8.35 4.24 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 0.90 0.00 0.00 0.93 0.00 0.00 71 L 8.57 5.35 0.00 1.52 1.58 0.91 1.02 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 72 R 8.10 3.98 0.00 1.88 2.09 0.00 3.00 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 73 L 8.20 4.32 0.00 1.55 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.25 4.35 0.00 1.84 1.86 0.00 3.29 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 75 G 8.21 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