NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2891 8.3001 120.3164 54.9195 33.8531 175.7671 2 A 4.0351 8.1000 123.2235 50.7590 16.1746 178.2000 3 T 4.1157 8.1029 112.7455 60.6475 69.6076 173.4100 4 T 4.2024 8.0977 124.2985 62.8378 69.5852 175.0296 5 T 4.3117 8.3432 116.1240 60.6320 69.2093 174.0447 6 L 4.7785 8.1835 126.0354 52.1711 44.5790 176.5686 7 G 3.6757 8.4858 110.5034 45.4450 0.0000 174.2271 8 V 4.1979 8.0809 123.9563 60.4158 33.6573 176.4819 9 K 4.5390 8.1294 117.8655 54.1112 31.8794 175.3884 10 L 4.7865 7.7487 120.0274 52.7696 44.7713 176.3757 11 D 4.9847 8.1232 120.4675 52.5652 44.3487 177.0083 12 D 4.3846 8.6480 122.4970 57.3449 40.7624 177.3341 13 P 4.2263 0.0000 0.0000 66.3344 31.4299 178.7274 14 T 3.8578 7.8443 113.5316 66.6176 68.2139 176.4394 15 R 3.9051 9.1893 119.6013 59.6466 30.4169 178.0837 16 E 4.1067 8.4472 118.4592 59.3737 29.5015 179.3005 17 R 3.9572 7.7601 118.8459 59.2280 30.0844 178.5403 18 L 4.0105 7.9058 119.1314 57.4760 41.5314 179.0219 19 K 3.9053 7.9114 119.0179 59.6720 32.1036 178.5285 20 A 3.9855 7.9531 120.5099 55.0935 17.9662 179.4659 21 A 3.9514 7.8971 118.5850 55.2972 18.4384 179.5827 22 A 4.2217 8.5273 119.7009 55.3880 18.2016 179.8961 23 Q 3.5147 8.5091 116.2402 58.9651 28.7636 178.4247 24 S 4.2238 7.7605 113.5261 60.6967 62.4948 175.1085 25 I 4.2066 7.1794 118.5793 59.6252 39.5203 173.9440 26 D 4.3634 9.0315 118.1526 56.0962 39.1066 172.1517 27 R 4.6973 7.5589 116.3928 54.0414 33.9826 176.2858 28 T 4.2165 8.0002 114.6799 63.1363 70.2785 173.2739 29 P 4.3590 0.0000 0.0000 66.4361 31.1766 177.9830 30 H 4.1026 8.2798 116.1816 59.5843 29.6972 176.6712 31 W 4.2272 8.4916 129.2503 60.3940 30.4765 177.4324 32 L 4.1207 8.8957 121.1815 58.1813 41.5710 178.7041 33 I 3.7325 7.9021 119.8356 64.6460 37.0440 178.4035 34 K 3.9905 7.7371 118.3809 59.4489 31.7441 179.4687 35 Q 3.9047 7.9345 117.4845 59.0979 28.6171 178.2200 36 A 3.7730 8.1672 120.6285 54.9899 18.0578 179.0361 37 I 4.0031 7.6865 116.4832 63.6683 38.4816 177.7702 38 F 4.1924 8.7759 121.7348 61.3779 39.3225 176.7037 39 N 3.1458 7.9098 117.1412 56.2988 38.5493 176.0595 40 Y 4.1326 7.4376 120.6933 60.5328 38.7794 178.2747 41 L 3.6251 7.9878 120.0812 57.6593 41.5746 179.0552 42 E 3.9632 7.8204 117.4543 59.2885 29.6014 178.3228 43 K 4.0466 8.1752 118.9551 59.0019 32.2574 178.3820 44 L 4.1511 7.3558 118.1852 56.3941 40.7052 176.5691 45 E 3.9969 7.6576 126.2470 56.8268 29.5287 176.1880 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 4.29 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 2 A 8.10 4.04 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.10 4.12 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 1.08 0.00 0.00 4 T 8.10 4.20 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 1.20 0.00 0.00 5 T 8.34 4.31 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 6 L 8.18 4.78 0.00 1.62 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.49 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.20 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 0.78 0.00 0.00 0.91 0.00 0.00 9 K 8.13 4.54 0.00 1.69 1.73 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 10 L 7.75 4.79 0.00 1.58 1.53 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.12 4.98 0.00 2.65 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 12 D 8.65 4.38 0.00 2.67 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 13 P 0.00 4.23 0.00 2.14 2.13 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 14 T 7.84 3.86 4.47 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 1.19 0.00 0.00 15 R 9.19 3.91 0.00 1.86 2.13 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 E 8.45 4.11 0.00 2.17 1.98 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 2.53 2.46 0.00 17 R 7.76 3.96 0.00 1.78 2.01 0.00 3.25 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 18 L 7.91 4.01 0.00 2.03 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.91 3.91 0.00 1.98 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.63 7.81 20 A 7.95 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.22 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 0.00 0.00 0.00 0.00 0.00 23 Q 8.51 3.51 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 24 S 7.76 4.22 0.00 3.91 4.03 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 0.00 0.00 0.00 0.00 25 I 7.18 4.21 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 1.12 0.00 0.00 26 D 9.03 4.36 0.00 2.77 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 27 R 7.56 4.70 0.00 1.94 1.86 0.00 3.49 0.00 0.00 3.81 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.63 0.00 28 T 8.00 4.22 4.21 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 1.38 0.00 0.00 29 P 0.00 4.36 0.00 2.20 2.12 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 30 H 8.28 4.10 0.00 3.22 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.49 4.23 0.00 3.60 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 32 L 8.90 4.12 0.00 1.85 1.95 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.90 3.73 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.02 0.91 0.00 0.00 34 K 7.74 3.99 0.00 1.65 1.73 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.25 1.35 7.81 35 Q 7.93 3.90 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.77 0.00 36 A 8.17 3.77 1.32 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 0.00 0.00 0.00 37 I 7.69 4.00 2.00 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 1.43 1.29 1.07 0.00 0.00 38 F 8.78 4.19 0.00 3.07 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 39 N 7.91 3.15 0.00 2.22 2.58 0.00 0.00 6.79 7.41 0.00 0.00 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 Y 7.44 4.13 0.00 2.95 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 41 L 7.99 3.63 0.00 1.91 1.68 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.82 3.96 0.00 1.94 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 0.00 2.26 2.44 0.00 43 K 8.18 4.05 0.00 1.82 1.71 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.37 7.81 44 L 7.36 4.15 0.00 1.60 1.55 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.66 4.00 0.00 1.98 1.95 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 2.31 2.28 0.00