NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7308 8.3349 116.7560 58.7458 64.7281 172.1796 2 K 5.2667 8.2004 116.3953 54.3268 37.2215 174.2720 3 W 5.4887 8.7896 132.5633 55.8784 33.7000 173.4241 4 I 4.4569 8.5929 121.1438 58.9735 40.3531 175.6643 5 K 4.4017 7.6383 124.5169 57.0293 33.9358 173.8798 6 F 4.5917 7.7619 116.3821 59.5159 43.9709 173.1160 7 T 4.1327 6.9900 116.0305 62.5395 69.3379 174.8881 8 T 4.4117 7.8088 116.5972 59.6306 67.8059 171.8500 9 N 4.5677 7.4463 128.4505 52.8332 45.7800 173.4584 10 L 4.6041 7.8151 123.3817 53.2206 43.6111 177.3308 11 T 3.9087 8.7755 117.6973 64.4424 68.9686 173.0929 12 P 4.8287 0.0000 0.0000 60.7017 31.1015 174.3952 13 E 4.7938 7.8301 120.0455 57.7987 35.3678 176.1694 14 E 4.3134 8.4661 114.5932 57.7928 29.5689 177.9026 15 A 4.4306 7.5805 122.2861 54.0865 20.0568 179.5709 16 K 3.7027 7.8196 116.7160 59.4303 32.0535 179.2085 17 I 3.7707 7.7629 118.4711 64.1044 37.4406 177.9182 18 V 3.5884 7.3612 118.5535 65.8326 31.7410 177.5137 19 Q 3.9390 7.7560 119.1863 58.9962 28.5189 177.5786 20 Y 4.2947 7.3054 117.2601 61.2126 37.9430 177.7044 21 E 4.2898 7.8221 118.2587 56.1299 29.6909 178.6006 22 L 3.5807 7.2515 122.0866 58.1457 41.9980 178.6788 23 S 4.2294 7.1871 113.7301 61.8062 63.0261 175.7908 24 T 4.2172 7.4016 116.0436 64.4827 67.2593 176.9073 25 R 3.4764 6.8624 115.8685 60.5752 30.6291 177.2535 26 D 4.9941 8.0201 117.3881 55.0639 41.1833 176.4586 27 E 4.8516 8.8378 119.1286 57.7051 37.4300 175.5977 28 F 5.3215 8.8270 122.6157 58.4799 39.9368 172.2852 29 Y 4.6354 8.2611 124.8051 57.4088 40.2443 178.2015 30 R 3.5008 9.4037 121.5022 56.4570 31.2379 173.8453 31 V 4.4173 7.5682 126.0765 60.9553 34.1833 174.8372 32 F 4.8743 8.2842 125.8431 56.0851 42.1291 174.0734 33 I 4.7269 8.5651 116.5190 59.0095 40.6082 175.0280 34 N 4.9332 8.4053 120.2943 51.3577 39.0050 172.4645 35 P 5.0069 0.0000 0.0000 60.8104 31.2080 175.5860 36 Y 4.7990 7.6202 116.8595 58.7770 45.6385 174.1940 37 A 4.4849 8.3200 120.5861 50.5678 20.4013 176.1843 38 K 3.9658 7.9431 113.2457 57.8704 31.9015 177.2368 39 V 3.7831 8.1266 117.7862 65.8894 32.6759 175.0978 40 A 3.8079 7.8925 120.2027 52.7791 15.6081 175.7072 41 E 4.6892 7.8818 118.1657 53.8336 34.0037 176.4407 42 V 4.3746 9.1774 125.0978 61.0882 34.5618 174.2421 43 V 5.4408 8.5978 128.2007 60.9630 32.9379 174.0379 44 I 4.9881 8.2522 127.8543 59.2489 41.8986 173.0003 45 D 4.9017 8.7452 128.8744 53.1992 43.0808 174.6589 46 D 4.6912 8.1621 120.4901 53.8010 44.6358 174.8418 47 S 4.9545 9.3617 123.5122 56.9039 61.7552 173.1167 48 K 4.2929 8.3139 119.7957 55.2839 34.1880 177.0052 49 V 4.2559 7.7493 127.4227 63.2758 33.9691 172.8656 50 N 4.6581 8.0011 115.7562 52.2218 36.1984 175.6296 51 I 3.7055 7.8790 119.0810 64.4694 37.7445 177.0862 52 E 4.0013 8.1350 118.0463 59.1020 29.5593 178.4385 53 E 4.7359 8.0196 121.1690 58.6280 29.5179 178.3021 54 L 3.9344 8.0853 119.6221 57.9409 42.1905 178.7974 55 K 4.0474 7.6252 118.8297 59.6055 32.1819 178.8121 56 E 3.7087 8.1984 119.1388 59.0846 29.4961 179.3919 57 K 4.3633 8.4636 118.6785 59.1320 32.5361 178.0345 58 L 4.2841 7.3246 120.0801 56.1148 42.1782 177.7377 59 K 4.2518 7.9948 117.7064 59.4113 32.4780 178.9684 60 G 3.4592 8.0562 105.9999 47.0706 0.0000 175.1815 61 E 3.7475 8.0105 118.4178 56.1000 30.0732 175.6846 62 V 3.7194 7.6944 117.3339 66.1983 31.4623 176.6149 63 I 4.5294 7.2927 107.1791 59.8180 38.6923 174.4771 64 E 3.9879 7.9796 122.6191 56.4485 29.3183 174.3158 65 E 4.4899 8.1465 124.3881 55.7628 32.5797 175.3293 66 K 4.6178 7.6182 119.8463 55.2566 35.6788 176.6137 67 E 4.4622 8.5124 122.8707 54.7086 28.5105 175.9556 68 I 4.3242 7.2621 122.2912 59.5950 37.6202 174.7987 69 T 4.9002 7.6197 123.3726 60.7119 67.8624 174.1339 70 L 4.4665 8.2115 122.9170 55.9269 44.3435 176.6476 71 Q 2.9325 8.1348 124.8598 56.6188 30.9008 176.6357 72 E 4.6101 8.5213 119.9530 53.5005 33.7267 174.6915 73 L 2.9675 7.1422 114.5943 58.3600 40.9230 177.5253 74 I 3.9395 8.3954 125.8877 61.5404 38.0462 174.2337 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 S 8.33 4.73 0.00 3.85 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 2 K 8.20 5.27 0.00 1.73 1.71 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 W 8.79 5.49 0.00 3.51 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 4 I 8.59 4.46 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 1.05 0.00 0.00 5 K 7.64 4.40 0.00 1.35 1.82 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.25 7.81 6 F 7.76 4.59 0.00 2.88 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 7 T 6.99 4.13 3.28 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 1.06 0.00 0.00 8 T 7.81 4.41 4.42 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 1.24 0.00 0.00 9 N 7.45 4.57 0.00 2.57 2.77 0.00 0.00 7.35 7.76 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 10 L 7.82 4.60 0.00 1.87 1.72 0.93 0.79 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 11 T 8.78 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 1.28 0.00 0.00 12 P 0.00 4.83 0.00 2.20 2.16 0.00 3.52 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 1.98 2.08 0.00 13 E 7.83 4.79 0.00 2.04 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 0.00 2.50 2.48 0.00 14 E 8.47 4.31 0.00 2.11 2.09 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 2.73 2.55 0.00 15 A 7.58 4.43 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 16 K 7.82 3.70 0.00 2.04 1.58 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.59 7.81 17 I 7.76 3.77 1.26 0.00 0.00 0.50 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 1.06 0.74 0.00 0.00 18 V 7.36 3.59 2.15 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 0.95 0.00 0.00 0.94 0.00 0.00 19 Q 7.76 3.94 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 20 Y 7.31 4.29 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 4.29 0.00 1.90 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 2.38 2.16 0.00 22 L 7.25 3.58 0.00 1.91 1.68 0.90 0.69 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 23 S 7.19 4.23 0.00 3.79 3.91 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 24 T 7.40 4.22 4.16 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 1.32 0.00 0.00 25 R 6.86 3.48 0.00 2.02 1.84 0.00 3.11 0.00 0.00 3.17 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 26 D 8.02 4.99 0.00 2.70 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 27 E 8.84 4.85 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 28 F 8.83 5.32 0.00 2.93 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 29 Y 8.26 4.64 0.00 2.82 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 0.00 0.00 0.00 0.00 30 R 9.40 3.50 0.00 2.02 1.83 0.00 3.21 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.51 0.00 31 V 7.57 4.42 1.73 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 0.77 0.00 0.00 0.22 0.00 0.00 32 F 8.28 4.87 0.00 2.94 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 33 I 8.57 4.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 0.89 0.00 0.00 34 N 8.41 4.93 0.00 2.80 2.83 0.00 0.00 6.82 7.77 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 35 P 0.00 5.01 0.00 2.36 2.22 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 36 Y 7.62 4.80 0.00 2.88 3.12 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 0.00 0.00 0.00 37 A 8.32 4.48 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 38 K 7.94 3.97 0.00 1.96 1.96 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.35 7.81 39 V 8.13 3.78 2.17 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 1.02 0.00 0.00 1.03 0.00 0.00 40 A 7.89 3.81 1.57 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 41 E 7.88 4.69 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 42 V 9.18 4.37 2.06 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 1.16 0.00 0.00 0.91 0.00 0.00 43 V 8.60 5.44 2.22 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 1.34 0.00 0.00 1.24 0.00 0.00 44 I 8.25 4.99 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.33 0.97 0.00 0.00 45 D 8.75 4.90 0.00 2.87 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 46 D 8.16 4.69 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.36 4.95 0.00 3.69 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 48 K 8.31 4.29 0.00 1.85 1.78 0.00 1.99 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.39 7.81 49 V 7.75 4.26 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 0.70 0.00 0.00 0.94 0.00 0.00 50 N 8.00 4.66 0.00 3.16 3.53 0.00 0.00 7.13 9.28 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 51 I 7.88 3.71 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.32 0.92 0.00 0.00 52 E 8.14 4.00 0.00 2.18 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 2.36 2.30 0.00 53 E 8.02 4.74 0.00 2.09 2.22 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 2.39 2.27 0.00 54 L 8.09 3.93 0.00 1.73 1.85 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.63 4.05 0.00 1.90 1.86 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.44 7.81 56 E 8.20 3.71 0.00 2.19 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 57 K 8.46 4.36 0.00 2.36 2.22 0.00 1.41 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.50 7.81 58 L 7.32 4.28 0.00 1.86 1.81 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.99 4.25 0.00 1.67 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 60 G 8.06 3.46 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 0.00 61 E 8.01 3.75 0.00 2.14 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 2.19 2.20 0.00 62 V 7.69 3.72 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 0.74 0.00 0.00 0.90 0.00 0.00 63 I 7.29 4.53 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.87 0.00 0.00 64 E 7.98 3.99 0.00 1.83 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 2.35 2.38 0.00 65 E 8.15 4.49 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.46 0.00 66 K 7.62 4.62 0.00 1.84 1.77 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.27 1.35 7.81 67 E 8.51 4.46 0.00 1.91 1.91 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 2.21 2.34 0.00 68 I 7.26 4.32 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.13 1.13 0.00 0.00 69 T 7.62 4.90 4.51 0.00 0.00 0.00 0.00 0.00 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 70 L 8.21 4.47 0.00 1.76 1.86 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.13 2.93 0.00 2.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 72 E 8.52 4.61 0.00 1.76 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 73 L 7.14 2.97 0.00 1.30 1.23 0.73 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.40 3.94 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.82 0.00 0.00