NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5455 8.3049 120.3296 55.3033 32.9242 174.9906 2 L 4.8392 7.5062 125.2140 53.6901 43.7575 177.6597 3 T 3.8690 9.0470 115.1879 65.6108 68.9361 178.3414 4 R 2.9624 6.6894 118.4954 58.7067 32.0551 176.2197 5 F 3.1987 7.1427 111.5543 56.7300 38.7282 176.2050 6 L 4.5481 7.0419 122.0532 53.3095 41.6853 175.7252 7 G 4.2307 8.4769 111.1137 42.6107 0.0000 170.6142 8 P 4.2402 0.0000 0.0000 66.2221 30.7477 178.3415 9 R 3.7844 7.9467 118.1176 59.1671 29.9676 177.8629 10 Y 4.2015 7.7721 116.2744 61.0645 37.7775 178.8066 11 R 4.1952 8.1346 116.6481 59.2059 29.7396 178.7322 12 Q 3.9701 8.1786 118.9375 58.7989 28.4925 178.4979 13 L 4.0826 7.8839 119.9369 57.6171 42.3895 178.3100 14 A 4.3052 8.6073 121.3061 55.5424 18.1941 179.8626 15 R 3.9848 8.1398 115.1014 59.3156 30.0845 178.9259 16 N 4.4255 8.0728 115.7983 55.7812 38.7340 176.5620 17 W 4.8388 7.7952 118.2008 56.7497 29.1567 178.6167 18 V 3.6727 7.6733 120.7583 65.7894 31.1967 176.1719 19 P 4.2963 0.0000 0.0000 65.8594 31.2635 178.7029 20 T 4.0711 8.0685 113.8140 66.8285 68.2609 176.4379 21 A 4.2014 8.1413 122.4592 55.1286 18.3542 179.0141 22 S 4.1146 8.5040 111.8076 62.3760 62.3033 176.7901 23 L 4.0455 8.2733 121.1224 57.2641 41.4948 179.4079 24 W 3.6175 8.2724 128.4971 59.9003 30.6300 178.3808 25 G 3.6476 8.1173 105.6050 47.2626 0.0000 175.4348 26 A 3.9740 7.7903 122.7764 55.1681 18.4862 179.6484 27 V 3.4352 7.8052 116.8088 66.3010 31.6078 178.5402 28 G 3.5973 7.8707 104.5605 47.4398 0.0000 175.7619 29 A 3.9714 8.0827 123.0920 55.0813 18.4890 179.9181 30 V 3.4321 7.6528 116.7022 65.9213 31.4794 178.4367 31 G 3.6488 7.9973 105.3612 47.8508 0.0000 175.4859 32 L 4.0596 7.8064 122.8781 57.4775 42.0122 179.0839 33 V 3.6132 8.6056 119.2332 65.8446 31.4110 177.7919 34 W 4.2503 8.6797 128.0131 60.6482 30.3869 177.8627 35 A 3.4470 8.7031 120.0644 54.3287 17.9021 178.7239 36 T 4.1145 7.7608 105.9739 60.7999 70.9806 174.2999 37 D 4.4294 7.6472 121.7408 55.5820 39.2019 174.8851 38 W 4.6928 9.0041 132.5916 60.6707 28.5816 180.0251 39 R 2.9907 8.4987 115.5616 56.6769 33.9739 178.7998 40 L 3.7793 7.4060 125.7935 57.4647 42.6871 179.4346 41 I 3.9115 7.6069 118.7374 64.5048 37.3951 178.3695 42 L 4.2045 8.3910 119.7877 57.5208 41.1430 178.9265 43 D 4.5125 7.8418 118.4420 57.5091 40.8109 178.5865 44 W 4.3557 8.4497 127.8355 58.8682 30.4523 176.1250 45 V 3.9709 7.6838 119.9837 61.1796 31.0485 173.7075 46 P 4.3172 0.0000 0.0000 63.9338 32.0459 175.3666 47 Y 3.9208 8.7627 126.6355 58.5083 38.1161 170.7711 48 I 4.1761 7.3220 116.8808 63.1776 37.5750 176.7030 49 N 4.5322 8.2098 117.7455 52.6901 34.6656 172.7250 50 G 3.9812 8.2400 113.4230 44.4635 0.0000 171.2234 51 K 4.1782 8.4084 124.4689 56.0242 32.7308 176.5848 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 4.55 0.00 2.03 2.12 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 2.52 0.00 2 L 7.51 4.84 0.00 1.78 1.73 0.90 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.05 3.87 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 1.17 0.00 0.00 4 R 6.69 2.96 0.00 1.53 1.39 0.00 2.97 0.00 0.00 2.50 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 5 F 7.14 3.20 0.00 2.97 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.04 4.55 0.00 1.64 1.64 0.94 0.72 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 7 G 8.48 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 8 P 0.00 4.24 0.00 2.27 2.38 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 9 R 7.95 3.78 0.00 1.74 1.55 0.00 3.02 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 10 Y 7.77 4.20 0.00 3.33 3.10 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 0.00 0.00 0.00 11 R 8.13 4.20 0.00 2.09 2.27 0.00 3.03 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.76 0.00 12 Q 8.18 3.97 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 13 L 7.88 4.08 0.00 1.73 2.02 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.61 4.31 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.14 3.98 0.00 2.08 2.03 0.00 3.29 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 16 N 8.07 4.43 0.00 2.74 2.48 0.00 0.00 6.99 7.11 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 17 W 7.80 4.84 0.00 3.35 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 18 V 7.67 3.67 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 1.21 0.00 0.00 1.00 0.00 0.00 19 P 0.00 4.30 0.00 2.23 2.12 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 20 T 8.07 4.07 4.55 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 1.64 0.00 0.00 21 A 8.14 4.20 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 22 S 8.50 4.11 0.00 3.93 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 23 L 8.27 4.05 0.00 1.94 1.60 1.00 0.89 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 24 W 8.27 3.62 0.00 3.76 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 25 G 8.12 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.79 3.97 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 V 7.81 3.44 1.76 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 0.74 0.00 0.00 0.45 0.00 0.00 28 G 7.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 3.97 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 30 V 7.65 3.43 2.14 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 1.06 0.00 0.00 0.97 0.00 0.00 31 G 8.00 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.81 4.06 0.00 1.78 1.92 0.68 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.61 3.61 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 1.10 0.00 0.00 1.06 0.00 0.00 34 W 8.68 4.25 0.00 3.37 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 3.45 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 36 T 7.76 4.11 3.95 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 0.00 0.00 0.00 0.93 0.00 0.00 37 D 7.65 4.43 0.00 2.84 2.77 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 38 W 9.00 4.69 0.00 3.32 3.02 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 0.00 0.00 0.00 39 R 8.50 2.99 0.00 1.90 2.35 0.00 2.59 0.00 0.00 2.85 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.00 40 L 7.41 3.78 0.00 1.27 1.35 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.61 3.91 2.12 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.63 0.98 0.00 0.00 42 L 8.39 4.20 0.00 1.77 1.82 1.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.84 4.51 0.00 2.75 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 44 W 8.45 4.36 0.00 3.51 3.15 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 45 V 7.68 3.97 2.19 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 0.99 0.00 0.00 1.07 0.00 0.00 46 P 0.00 4.32 0.00 2.13 1.98 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 47 Y 8.76 3.92 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 48 I 7.32 4.18 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 1.03 0.00 0.00 49 N 8.21 4.53 0.00 2.85 2.92 0.00 0.00 5.83 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 50 G 8.24 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.41 4.18 0.00 1.70 1.67 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.33 7.81