NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A M 4.3331 8.1627 120.3247 54.6837 33.7592 177.3466 1P R 3.8505 8.2051 122.7642 56.1204 30.2052 174.3559 2P S 4.5795 7.7731 112.8202 56.1749 64.9153 172.3454 3P R 4.2959 8.1676 119.1657 54.8886 30.4599 173.7039 4P P 4.3917 0.0000 0.0000 62.9563 33.5577 175.8674 5P S 3.8675 8.4808 114.3001 58.4339 60.5698 169.9935 6P F 3.8255 8.8260 111.5185 57.6097 36.7691 174.3601 7P H 4.1348 8.3351 116.7059 58.3227 28.4712 174.0772 8P P 3.6661 0.0000 0.0000 59.0375 36.0997 177.7325 9P L 4.9877 8.8891 110.1597 52.4298 46.3683 176.1936 10P S 4.6386 8.4719 115.2227 57.5717 64.4845 175.1299 11P D 4.4134 8.8153 122.7041 57.5695 40.6239 178.5766 12P E 4.0809 8.3746 119.3581 59.7310 29.3942 178.0711 13P L 4.1978 8.3979 120.0685 56.5404 41.5565 178.9716 14P V 3.4591 7.7027 117.3245 66.7101 31.5920 178.3187 15P N 4.3393 8.5762 116.1826 56.2677 38.2532 176.9706 16P Y 4.2243 7.8759 120.8182 60.6755 38.7196 177.8797 17P V 2.7883 7.6949 118.4335 65.4611 31.6442 177.2839 18P N 4.2947 7.4670 116.0074 55.6595 38.5257 177.6152 19P K 4.0514 8.2943 119.0294 59.0168 32.1950 179.0522 20P R 4.0519 8.0159 118.3973 56.3730 31.0795 175.3990 21P N 3.9063 7.4302 114.7694 54.3844 37.0925 172.0581 22P T 4.7502 7.0274 115.6017 59.4370 70.7907 173.9199 23P T 4.1228 8.6761 111.0655 63.4704 68.6917 172.9942 24P W 5.2497 7.6466 118.0772 55.6694 31.0211 173.6769 25P Q 4.2810 8.8323 114.2100 55.0350 30.7287 173.4865 26P A 4.9613 7.8286 123.3088 50.7508 21.8138 175.5275 27P G 4.0552 7.9103 105.7745 44.7878 0.0000 173.3133 28P H 4.2163 8.5818 118.1249 55.8792 29.2222 175.1163 29P N 4.6579 8.6504 120.9264 54.1873 39.9683 175.3016 30P F 4.9300 7.6088 115.7432 56.1438 40.3758 174.6834 31P Y 4.6074 8.5132 122.3310 57.2241 40.6729 173.4252 32P N 4.2508 9.5516 124.9629 53.4926 36.2978 172.7356 33P V 4.5749 7.4476 112.1117 59.1452 36.3888 174.1539 34P D 4.9105 8.6660 123.0580 54.2369 41.4440 177.1868 35P M 4.1926 8.4939 123.9160 57.8701 31.6854 178.9101 36P S 4.1863 7.9139 113.6973 60.6732 63.5006 175.6138 37P Y 4.2584 8.0881 124.1475 60.6868 38.4912 177.2396 38P L 3.5822 7.7834 117.3469 56.4991 41.6901 178.2749 39P K 4.3324 7.4969 116.5858 56.8192 33.2116 178.0573 40P R 3.8798 7.6376 118.0393 58.3662 30.0096 178.1440 41P L 4.1502 7.3891 117.9891 57.2515 42.5899 178.0015 42P C 4.3880 7.1645 119.0157 59.2273 26.0190 173.6158 43P G 4.0136 7.9985 116.0681 45.1994 0.0000 170.3388 44P T 4.2861 7.5952 115.2207 61.2057 71.0513 174.9360 45P F 4.5187 8.4447 124.6266 60.2261 39.3123 172.1995 46P L 3.6562 8.1954 128.3651 56.5585 40.1668 173.3708 47P G 3.6181 8.9329 109.7057 44.6799 0.0000 170.3139 48P G 3.9230 8.1458 109.2597 43.7567 0.0000 175.3042 49P P 5.0017 0.0000 0.0000 61.7145 33.2450 173.8867 50P K 4.6585 8.6705 128.9788 55.5222 34.2498 174.1604 51P P 4.6956 0.0000 0.0000 61.9674 32.9863 174.6925 52P P 4.5736 0.0000 0.0000 63.5489 30.1222 178.9810 53P Q 4.4767 8.5308 117.4880 56.1187 32.5397 173.2703 54P R 4.2949 9.2673 121.0999 54.5664 32.1614 175.1093 55P V 4.1295 8.0748 125.5495 59.6950 32.3788 175.3333 56P M 3.8120 8.3019 126.1761 54.6890 31.9107 178.8562 57P F 4.6522 7.7606 120.7677 58.3537 38.5084 180.0571 58P T 3.1196 10.0619 116.9519 64.4028 70.1071 174.6706 59P E 3.5884 8.8406 129.5044 58.3682 30.2833 174.5544 60P D 4.6027 8.7462 114.9468 52.9263 39.8585 175.8561 61P L 4.2086 7.3961 122.0097 55.1829 40.8634 177.0619 62P K 4.1626 8.5906 122.1773 56.7902 32.8606 176.3641 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 1A M 8.16 4.33 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 1P R 8.21 3.85 0.00 2.03 2.07 0.00 3.23 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 2P S 7.77 4.58 0.00 3.87 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 3P R 8.17 4.30 0.00 1.99 1.98 0.00 3.16 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 4P P 0.00 4.39 0.00 2.14 2.08 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 5P S 8.48 3.87 0.00 4.19 4.10 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 6P F 8.83 3.83 0.00 3.34 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 7P H 8.34 4.13 0.00 3.12 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8P P 0.00 3.67 0.00 2.15 1.83 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 9P L 8.89 4.99 0.00 1.53 1.59 1.02 0.88 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 10P S 8.47 4.64 0.00 4.06 4.07 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 11P D 8.82 4.41 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12P E 8.37 4.08 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 2.42 2.43 0.00 13P L 8.40 4.20 0.00 2.17 1.65 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14P V 7.70 3.46 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 1.00 0.00 0.00 0.68 0.00 0.00 15P N 8.58 4.34 0.00 2.76 2.85 0.00 0.00 6.91 7.13 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 16P Y 7.88 4.22 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17P V 7.69 2.79 1.80 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 -0.25 0.00 0.00 0.76 0.00 0.00 18P N 7.47 4.29 0.00 2.75 2.71 0.00 0.00 6.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19P K 8.29 4.05 0.00 1.75 1.91 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 20P R 8.02 4.05 0.00 1.61 1.76 0.00 3.57 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 21P N 7.43 3.91 0.00 2.96 2.73 0.00 0.00 6.85 7.78 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 22P T 7.03 4.75 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 0.76 0.00 0.00 23P T 8.68 4.12 4.35 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 1.27 0.00 0.00 24P W 7.65 5.25 0.00 3.48 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25P Q 8.83 4.28 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 26P A 7.83 4.96 1.27 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 0.00 0.00 27P G 7.91 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 0.00 0.00 0.00 28P H 8.58 4.22 0.00 2.72 2.66 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29P N 8.65 4.66 0.00 2.00 2.20 0.00 0.00 6.99 7.34 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 30P F 7.61 4.93 0.00 3.12 3.13 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 31P Y 8.51 4.61 0.00 2.85 2.91 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 32P N 9.55 4.25 0.00 2.93 2.98 0.00 0.00 7.03 7.75 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 33P V 7.45 4.57 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 0.83 0.00 0.00 1.11 0.00 0.00 34P D 8.67 4.91 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35P M 8.49 4.19 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.62 0.00 36P S 7.91 4.19 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37P Y 8.09 4.26 0.00 2.97 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 38P L 7.78 3.58 0.00 1.69 1.52 0.39 0.82 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 39P K 7.50 4.33 0.00 1.74 1.77 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.50 7.81 40P R 7.64 3.88 0.00 1.92 2.06 0.00 3.29 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 41P L 7.39 4.15 0.00 1.40 1.53 0.39 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 42P C 7.16 4.39 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43P G 8.00 4.01 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 0.00 0.00 0.00 44P T 7.60 4.29 4.14 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 1.16 0.00 0.00 45P F 8.44 4.52 0.00 3.07 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 46P L 8.20 3.66 0.00 1.87 1.82 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 47P G 8.93 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 48P G 8.15 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 49P P 0.00 5.00 0.00 2.16 1.98 0.00 4.11 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 1.89 1.93 0.00 50P K 8.67 4.66 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.23 7.81 51P P 0.00 4.70 0.00 2.07 2.03 0.00 3.73 0.00 0.00 3.65 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 52P P 0.00 4.57 0.00 2.02 1.49 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 53P Q 8.53 4.48 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 54P R 9.27 4.29 0.00 1.57 1.71 0.00 3.06 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 55P V 8.07 4.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 56P M 8.30 3.81 0.00 2.04 2.01 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 2.64 2.37 0.00 57P F 7.76 4.65 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58P T 10.06 3.12 4.29 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 1.24 0.00 0.00 59P E 8.84 3.59 0.00 2.22 1.14 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 2.12 2.30 0.00 60P D 8.75 4.60 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61P L 7.40 4.21 0.00 1.74 1.76 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62P K 8.59 4.16 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81