NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1169 8.1585 120.3153 55.4422 34.6564 177.2355 2 A 4.4518 7.6271 119.8975 53.8405 18.4603 177.9072 3 K 3.8849 7.9243 115.7680 59.5634 33.5464 176.2977 4 E 3.8091 8.2731 119.1785 58.5920 29.8570 177.6739 5 F 4.5632 7.7556 116.1053 57.0272 40.6416 175.0558 6 G 3.9607 8.1632 107.8128 46.2555 0.0000 172.5619 7 I 4.5298 7.6624 118.9927 58.6483 40.7682 174.3032 8 P 4.8300 0.0000 0.0000 61.5846 32.7980 176.7689 9 A 4.0094 8.7219 121.3968 55.1920 17.7419 179.7282 10 A 3.9223 8.0567 119.0580 55.8898 18.4205 179.8955 11 V 3.7331 8.1555 110.8059 62.8385 31.9221 178.7234 12 A 4.1652 8.0293 120.4413 54.8957 18.2547 179.7422 13 G 3.5738 8.3505 104.6226 48.2536 0.0000 176.0829 14 T 3.9093 7.5282 117.8465 66.3265 68.1348 176.6483 15 V 3.6633 7.7424 119.9751 66.2106 31.4089 178.0448 16 L 3.9905 7.7205 118.1832 57.6359 41.4288 178.7547 17 N 4.2059 7.9871 116.6147 56.8434 38.8121 176.6196 18 V 3.5488 7.3963 118.9505 66.2106 31.6628 178.1792 19 V 3.4939 7.4331 117.1110 66.1790 31.2393 177.8000 20 E 4.0188 8.2470 116.8251 58.7660 29.4022 178.3690 21 A 4.5112 8.0457 118.2576 50.6297 20.7114 176.4036 22 G 3.5501 7.6092 103.8327 46.6265 0.0000 173.5860 23 G 3.7339 7.5354 106.7435 42.6306 0.0000 173.7110 24 W 4.1923 7.9945 118.8831 56.5513 28.7204 177.7667 25 V 3.5651 8.5457 125.4097 64.7700 30.0491 177.8922 26 T 3.8805 8.2465 113.9798 65.4351 66.7789 175.7670 27 T 3.9204 7.6475 111.1497 64.9347 68.7830 176.5162 28 I 3.7546 7.7941 122.4910 63.9482 37.1037 178.1535 29 V 3.5762 8.4092 119.3093 66.3195 31.2006 178.1783 30 S 4.1179 7.7686 113.7995 61.8035 62.4553 176.8796 31 I 3.7401 7.2343 120.0109 64.0941 36.6718 178.2841 32 L 4.1226 8.1191 120.2320 58.1590 41.5617 179.7921 33 T 3.9088 8.2695 109.6298 64.4803 68.5065 176.1857 34 A 3.9872 8.0380 123.2177 55.1647 18.2793 179.4532 35 V 3.7020 7.2702 115.8263 65.2416 32.1317 175.9230 36 G 4.2321 8.6279 102.8030 44.1556 0.0000 176.2191 37 S 4.2054 9.3881 120.6715 61.0878 62.4119 175.6021 38 G 4.2241 7.7503 110.2932 46.6379 0.0000 175.5642 39 G 3.5302 7.8357 107.7270 47.5335 0.0000 175.7968 40 L 3.9840 7.8155 121.8227 57.3252 41.4970 179.6008 41 S 4.1621 8.0572 113.3114 61.2838 63.1629 176.0171 42 L 2.8176 7.2222 123.4434 57.5497 41.5764 179.0000 43 L 3.9678 7.6511 117.2217 57.7104 41.5463 179.1424 44 A 4.0682 7.8994 119.8447 54.6373 18.2939 179.0217 45 A 4.1684 7.5352 118.7398 54.5809 19.0539 178.9077 46 A 4.4075 7.2646 118.8196 50.3958 19.3208 177.6499 47 G 3.7653 8.2846 113.0284 49.2766 0.0000 174.8533 48 R 3.9466 8.1113 120.4782 59.0986 30.1036 177.4110 49 E 4.0293 7.7294 114.5281 55.2912 29.4437 173.4313 50 S 3.6440 8.1888 116.0495 57.6839 64.5013 173.1643 51 I 3.9304 8.4654 124.8318 64.6562 36.7375 177.5833 52 K 3.8806 8.2530 119.7226 59.8037 31.9537 178.4082 53 A 4.0314 8.2852 120.5357 55.5760 18.4219 178.1406 54 Y 4.2710 8.3585 117.7178 61.7378 38.7228 178.5634 55 L 3.7258 8.5417 119.2715 57.4251 41.8370 179.7027 56 K 3.8063 7.9844 118.5160 59.5048 32.0748 179.2687 57 K 3.8959 8.1655 119.6067 59.2779 32.1036 178.3667 58 E 3.7727 8.4335 119.9382 59.5711 29.5444 178.9664 59 I 3.6774 8.1047 119.8144 63.7232 36.9419 178.2055 60 K 3.8811 7.6691 119.6551 58.8547 31.9370 178.2380 61 K 4.2121 7.4874 117.2256 58.3783 32.6740 178.5567 62 K 4.1255 7.9589 119.3677 58.2762 32.6345 177.6546 63 G 3.9161 8.6789 111.4187 46.2546 0.0000 174.1451 64 K 3.9802 8.8471 125.9278 59.3689 32.2008 178.6161 65 R 3.8890 8.1083 118.0068 59.6263 30.0543 178.3261 66 A 4.1780 7.9222 119.7001 54.9098 18.0442 179.7903 67 V 4.0007 7.4758 116.1441 66.0400 31.9952 177.7218 68 I 3.8946 8.0036 119.1055 64.5023 37.0062 178.0276 69 A 4.0982 7.7256 119.8139 54.8779 18.2806 177.2857 70 W 4.6179 8.8908 131.6120 58.1695 30.6127 175.3886 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 8.16 4.12 0.00 2.05 2.37 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 2.30 2.14 0.00 2 A 7.63 4.45 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 3 K 7.92 3.88 0.00 1.81 1.93 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.35 7.81 4 E 8.27 3.81 0.00 1.62 1.12 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 1.71 2.03 0.00 5 F 7.76 4.56 0.00 3.06 2.88 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 6 G 8.16 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.66 4.53 1.99 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 1.32 0.68 0.90 0.00 0.00 8 P 0.00 4.83 0.00 2.21 2.16 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 9 A 8.72 4.01 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 10 A 8.06 3.92 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 11 V 8.16 3.73 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 1.16 0.00 0.00 0.98 0.00 0.00 12 A 8.03 4.17 1.35 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 0.00 0.00 0.00 13 G 8.35 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 3.91 4.36 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 1.23 0.00 0.00 15 V 7.74 3.66 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 1.16 0.00 0.00 0.98 0.00 0.00 16 L 7.72 3.99 0.00 1.91 1.83 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.99 4.21 0.00 2.77 3.06 0.00 0.00 6.81 8.23 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 18 V 7.40 3.55 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 0.88 0.00 0.00 1.00 0.00 0.00 19 V 7.43 3.49 2.16 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 0.90 0.00 0.00 0.98 0.00 0.00 20 E 8.25 4.02 0.00 2.21 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 2.34 2.39 0.00 21 A 8.05 4.51 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 22 G 7.61 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 3.73 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 0.00 0.00 0.00 24 W 7.99 4.19 0.00 3.42 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 3.57 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 1.01 0.00 0.00 0.97 0.00 0.00 26 T 8.25 3.88 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 27 T 7.65 3.92 4.30 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 1.24 0.00 0.00 28 I 7.79 3.75 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.41 0.93 0.00 0.00 29 V 8.41 3.58 2.28 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 1.08 0.00 0.00 1.01 0.00 0.00 30 S 7.77 4.12 0.00 3.94 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 31 I 7.23 3.74 1.99 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 1.84 0.75 0.92 0.00 0.00 32 L 8.12 4.12 0.00 1.91 1.67 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.27 3.91 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 1.23 0.00 0.00 34 A 8.04 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.27 3.70 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 0.79 0.00 0.00 1.00 0.00 0.00 36 G 8.63 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 0.00 0.00 0.00 0.00 37 S 9.39 4.21 0.00 4.07 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 0.00 38 G 7.75 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 0.00 0.00 0.00 0.00 39 G 7.84 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 3.98 0.00 1.86 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.06 4.16 0.00 4.32 4.09 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 42 L 7.22 2.82 0.00 1.13 1.58 0.41 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.65 3.97 0.00 1.76 1.69 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.90 4.07 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 45 A 7.54 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 4.41 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.95 0.00 1.83 1.91 0.00 3.16 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 49 E 7.73 4.03 0.00 1.99 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 2.34 2.40 0.00 50 S 8.19 3.64 0.00 4.23 4.06 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 51 I 8.47 3.93 1.93 0.00 0.00 0.89 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 0.85 1.01 0.00 0.00 52 K 8.25 3.88 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 53 A 8.29 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.36 4.27 0.00 3.22 3.16 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 55 L 8.54 3.73 0.00 1.69 1.64 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.98 3.81 0.00 2.01 1.83 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.57 7.81 57 K 8.17 3.90 0.00 1.82 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 58 E 8.43 3.77 0.00 1.82 1.56 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 1.91 2.12 0.00 59 I 8.10 3.68 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.88 0.00 0.00 60 K 7.67 3.88 0.00 1.96 1.97 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 61 K 7.49 4.21 0.00 1.84 1.78 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.54 7.81 62 K 7.96 4.13 0.00 1.71 1.67 0.00 1.26 0.00 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.23 1.21 7.81 63 G 8.68 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 0.00 0.00 0.00 64 K 8.85 3.98 0.00 1.85 1.91 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.61 7.81 65 R 8.11 3.89 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 66 A 7.92 4.18 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 67 V 7.48 4.00 2.35 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 1.17 0.00 0.00 0.98 0.00 0.00 68 I 8.00 3.89 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.28 0.94 0.00 0.00 69 A 7.73 4.10 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 70 W 8.89 4.62 0.00 3.36 3.38 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