NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6003 8.3249 119.4511 57.3838 40.3691 173.7458 2 E 4.6128 8.3964 120.9681 53.3513 33.1053 173.9128 3 N 4.5873 9.5130 121.2627 53.8638 40.2245 174.6662 4 R 4.7159 8.4237 124.5689 55.6924 31.8073 178.0317 5 V 3.5707 8.4114 119.7542 66.1623 31.4137 177.1905 6 A 4.3748 8.0811 121.3950 54.6992 17.9313 179.2594 7 E 3.8891 8.1348 116.0397 59.7371 29.7009 179.5969 8 K 4.0323 7.8579 118.0710 59.5495 31.9593 179.5719 9 Q 4.0798 8.8249 119.2113 58.8021 28.4664 178.4964 10 K 3.9132 8.0648 119.5916 59.3290 32.3150 178.2273 11 L 3.9340 8.1433 120.8730 58.3201 41.8336 178.9874 12 F 4.3506 8.0372 115.5212 59.5787 38.9938 176.8043 13 Q 4.5636 7.7982 115.7286 54.6907 29.0589 175.0615 14 E 3.8456 7.2373 121.6139 56.5058 29.9158 177.5240 15 D 4.7067 8.5593 128.1619 54.3334 38.5948 175.1020 16 N 4.7108 8.0142 115.3717 51.3936 38.5296 176.0268 17 G 3.9048 7.9674 106.1525 46.7762 0.0000 173.2725 18 L 4.6063 7.9121 118.7047 51.6106 43.5756 175.0370 19 P 4.4075 0.0000 0.0000 62.3866 32.1204 177.5514 20 V 3.8698 8.6755 120.8685 65.2423 31.0100 177.5159 21 H 4.5722 8.2100 113.5986 56.9433 28.5772 175.4270 22 L 4.6859 8.2616 119.0208 54.1046 43.0621 177.6959 23 K 4.1825 7.8945 118.7795 57.9724 32.3446 177.9629 24 G 3.7883 8.8612 107.5095 47.2346 0.0000 174.5516 25 G 3.6248 7.0714 106.0641 44.8940 0.0000 173.3913 26 A 3.9089 8.3800 121.0333 55.0796 18.2927 180.2553 27 T 3.8241 7.8731 114.3063 66.9830 68.5814 175.9952 28 D 4.4506 7.6726 120.3732 57.7334 40.8748 178.8765 29 N 4.4317 8.1670 116.1389 56.5200 38.5198 177.1513 30 I 3.7052 7.6118 120.8080 64.1074 37.1628 177.8147 31 L 3.9213 8.2410 121.2016 58.6897 41.8517 178.3346 32 Y 4.1500 8.2208 118.9863 61.2031 38.6862 178.4611 33 R 3.5785 8.1353 118.5798 59.0686 30.0270 179.3048 34 V 3.4939 8.0473 118.2900 66.2807 31.6155 177.8392 35 T 3.7932 8.0073 115.6293 67.1383 68.3305 176.0031 36 M 3.8609 8.2602 119.8817 58.9792 32.0770 178.4766 37 T 3.8041 7.9136 115.7544 66.4861 68.5463 176.5412 38 L 3.9611 8.0378 121.0505 58.0473 41.6577 179.3748 39 C 4.2088 8.0870 116.3007 62.8919 28.0555 176.2032 40 L 4.0906 8.2953 120.9088 57.7105 41.1443 179.8966 41 G 3.6579 8.7497 106.0996 47.8787 0.0000 175.7412 42 G 3.8798 8.7656 109.8520 47.8523 0.0000 175.7196 43 T 4.0050 8.3255 119.6308 65.9098 68.3512 176.7446 44 L 4.0831 8.2027 121.1227 57.8267 41.5210 179.1051 45 Y 4.4657 8.4169 120.1129 60.9098 38.3521 177.8692 46 S 3.8947 8.3947 115.5608 61.5597 62.8036 176.4766 47 L 4.0123 7.9581 122.2970 57.6866 41.4247 178.8184 48 Y 4.2697 7.8933 119.4132 61.0336 38.7039 177.8477 49 C 3.7403 8.0289 117.6559 62.6334 28.1696 175.8652 50 L 4.0356 8.3911 122.3821 58.1778 41.4380 179.2513 51 G 3.7488 7.9554 104.5885 47.4342 0.0000 175.3050 52 W 4.2064 8.1751 130.3339 60.3971 30.6374 178.1468 53 A 4.2513 8.4573 119.2445 54.9096 17.8441 179.3988 54 S 4.0311 8.0317 113.0821 59.6740 63.1171 174.3489 55 F 4.8007 7.1342 119.1049 54.4437 41.4113 173.3715 56 P 4.3961 0.0000 0.0000 63.0812 31.9278 176.0103 57 H 4.5446 8.3256 117.7937 56.2954 29.4654 174.7225 58 K 4.2249 8.0798 124.4206 57.0295 32.0894 174.6320 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 F 8.32 4.60 0.00 3.01 3.11 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 2 E 8.40 4.61 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 3 N 9.51 4.59 0.00 2.71 2.76 0.00 0.00 6.80 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 4 R 8.42 4.72 0.00 1.87 1.88 0.00 3.42 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 5 V 8.41 3.57 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 1.04 0.00 0.00 0.99 0.00 0.00 6 A 8.08 4.37 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 7 E 8.13 3.89 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 8 K 7.86 4.03 0.00 2.04 2.10 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.76 7.81 9 Q 8.82 4.08 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 10 K 8.06 3.91 0.00 1.82 2.04 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 8.14 3.93 0.00 1.57 1.61 0.63 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.04 4.35 0.00 3.21 3.08 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 0.00 0.00 0.00 13 Q 7.80 4.56 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 14 E 7.24 3.85 0.00 2.07 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 2.30 2.24 0.00 15 D 8.56 4.71 0.00 2.68 2.59 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 16 N 8.01 4.71 0.00 2.81 2.87 0.00 0.00 6.33 7.00 0.00 0.00 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 G 7.97 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 0.00 0.00 0.00 18 L 7.91 4.61 0.00 1.64 1.58 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.27 2.19 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 20 V 8.68 3.87 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 0.83 0.00 0.00 0.83 0.00 0.00 21 H 8.21 4.57 0.00 3.29 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.26 4.69 0.00 1.49 1.57 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.89 4.18 0.00 2.05 2.21 0.00 2.10 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.55 1.42 7.81 24 G 8.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.07 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 0.00 0.00 0.00 26 A 8.38 3.91 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 27 T 7.87 3.82 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 28 D 7.67 4.45 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.43 0.00 2.99 2.93 0.00 0.00 7.13 7.49 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 30 I 7.61 3.71 2.07 0.00 0.00 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 1.43 0.96 0.93 0.00 0.00 31 L 8.24 3.92 0.00 1.93 1.77 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.22 4.15 0.00 3.22 3.30 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 33 R 8.14 3.58 0.00 2.08 1.94 0.00 3.27 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 1.69 1.89 0.00 34 V 8.05 3.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 35 T 8.01 3.79 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 1.19 0.00 0.00 36 M 8.26 3.86 0.00 1.62 1.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 37 T 7.91 3.80 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 1.17 0.00 0.00 38 L 8.04 3.96 0.00 1.82 1.71 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.09 4.21 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.09 0.00 1.71 1.71 0.91 0.76 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 41 G 8.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 3.88 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 0.00 43 T 8.33 4.00 4.44 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 1.24 0.00 0.00 44 L 8.20 4.08 0.00 1.97 1.78 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.42 4.47 0.00 3.02 3.21 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 0.00 0.00 0.00 0.00 46 S 8.39 3.89 0.00 4.02 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 47 L 7.96 4.01 0.00 2.02 1.83 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.89 4.27 0.00 3.07 3.33 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 49 C 8.03 3.74 0.00 2.94 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 50 L 8.39 4.04 0.00 1.66 1.95 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.96 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.18 4.21 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 53 A 8.46 4.25 1.47 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 0.00 0.00 0.00 54 S 8.03 4.03 0.00 4.07 3.48 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 0.00 55 F 7.13 4.80 0.00 2.81 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 56 P 0.00 4.40 0.00 2.12 1.98 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 57 H 8.33 4.54 0.00 2.96 3.25 0.00 6.01 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.08 4.22 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81