NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3851 8.3001 120.3274 55.5726 33.5298 174.9094 2 A 4.1051 7.8063 121.6649 51.9383 21.2263 172.5216 3 D 4.6928 8.0164 114.0890 53.7293 45.3703 173.8205 4 S 4.6310 8.4274 112.3840 58.5072 62.9871 174.2901 5 A 4.4876 7.8670 120.7828 52.8383 21.1604 178.8998 6 E 3.8580 8.1500 115.6617 59.2777 29.6215 178.7406 7 L 3.8114 7.3082 116.7166 57.5336 41.6396 179.4318 8 K 3.8682 7.8763 118.8872 59.7149 32.0710 178.6614 9 Q 3.9861 7.8372 116.7952 59.2008 28.8677 178.6109 10 M 3.7073 8.5035 120.3547 58.2868 31.9876 179.0180 11 V 3.6213 8.2407 118.6829 66.1636 31.4998 177.6198 12 M 4.3625 8.3584 117.2361 57.0143 31.8072 177.3034 13 S 4.6387 7.7861 112.1318 57.1812 63.2375 173.3673 14 L 4.6377 7.6594 121.0389 54.6388 42.6952 177.2189 15 R 4.4193 9.9814 120.0704 54.8494 32.3444 177.7996 16 V 3.5517 8.2318 117.6438 66.5114 31.0746 177.8528 17 S 4.1259 8.0123 112.7659 61.7153 63.0078 176.1823 18 E 4.1259 8.0081 120.6157 59.4467 29.3367 179.0732 19 L 4.0291 8.6330 119.4035 58.0865 41.5721 179.5972 20 Q 4.1706 8.2941 118.2223 58.8490 28.4537 179.4635 21 V 3.6346 7.8806 120.2730 64.6945 31.0826 178.4425 22 L 4.2010 7.8367 119.3328 57.5104 41.5133 179.4624 23 L 4.1483 8.5342 119.2822 57.6983 41.4703 179.5515 24 G 3.7399 8.6944 105.5244 48.1079 0.0000 174.1725 25 Y 4.3516 9.0098 121.2457 58.9286 39.0049 175.7076 26 A 4.2328 7.5792 119.6912 52.0444 20.1289 176.3838 27 G 4.1328 8.6167 103.7621 45.4551 0.0000 174.6613 28 R 3.9706 7.6132 116.6124 56.1317 30.7452 175.5313 29 N 4.5494 8.4588 118.3801 53.0619 39.6835 174.7298 30 K 4.3753 8.0331 122.6736 55.8841 34.2899 175.4776 31 H 4.2005 8.0628 118.6335 57.4349 31.3545 173.5385 32 G 3.8787 8.1550 115.2447 44.7610 0.0000 170.9138 33 R 4.2733 7.7319 119.3968 55.0850 31.9209 177.4475 34 K 3.9229 8.4087 119.2868 60.1576 32.1656 177.9561 35 H 4.2594 8.2326 118.0301 59.4026 29.7982 176.8736 36 E 3.9926 8.1350 119.7400 59.4028 29.3982 179.2375 37 L 3.9855 8.2732 119.3608 57.6887 41.6183 179.4344 38 L 3.9655 9.0902 119.4785 58.2867 41.5150 179.7312 39 T 3.5550 8.2591 115.8937 66.5472 68.4323 176.8901 40 K 3.9500 7.9501 120.1609 59.3176 31.8707 179.3582 41 A 4.0313 8.1914 120.4788 54.9967 18.6050 179.3737 42 L 4.0883 8.7581 118.6675 58.4488 41.7493 179.5170 43 H 4.2713 8.6038 116.3090 58.8437 28.3104 177.8892 44 L 4.0691 7.5662 119.9016 57.5337 41.8126 179.2109 45 L 4.1242 7.8664 119.0971 57.7924 41.4193 179.5001 46 K 3.9486 7.9751 117.8088 58.8773 32.3923 177.1743 47 A 4.0189 8.3448 120.0871 51.9794 18.6967 173.9034 48 G 3.7717 7.9427 110.8054 45.1458 0.0000 172.8532 49 C 4.7103 8.2049 124.8661 56.7150 34.4161 173.7781 50 S 4.2144 8.6761 123.0885 58.1173 63.3247 173.4106 51 P 4.5872 0.0000 0.0000 64.2680 30.6745 178.2480 52 A 4.0762 7.8568 121.5724 55.5578 18.5785 179.6535 53 V 3.9471 7.6239 115.4992 66.1571 31.4818 178.2319 54 Q 4.0691 8.0710 117.4956 59.2008 28.4510 178.6309 55 M 4.1003 8.1545 119.8636 58.2104 31.9395 178.6626 56 K 3.8966 7.7552 118.8843 59.4585 32.1808 178.9694 57 I 3.6866 7.6621 120.0795 64.1650 36.9345 178.5643 58 K 4.0513 7.7850 119.5985 59.4306 31.8373 179.3839 59 E 4.0019 8.5885 119.2696 59.3016 29.1816 179.3434 60 L 3.9843 8.3317 118.3736 58.1115 42.0732 178.7349 61 Y 4.1184 8.4171 119.7094 60.5731 38.5431 177.7222 62 R 4.2303 8.7841 119.4573 59.8009 30.1229 179.1510 63 R 3.5106 8.1513 116.5604 58.6244 30.0388 178.2948 64 R 4.4903 7.3263 116.0557 55.6868 30.6358 175.9129 65 F 3.6440 8.9113 128.5473 58.5269 39.2714 175.1444 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 4.39 0.00 2.02 2.07 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 2.49 0.00 2 A 7.81 4.11 1.21 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 0.00 0.00 3 D 8.02 4.69 0.00 2.61 2.46 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 4 S 8.43 4.63 0.00 3.85 3.80 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 0.00 0.00 0.00 0.00 5 A 7.87 4.49 1.23 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 6 E 8.15 3.86 0.00 1.97 1.89 0.00 0.00 0.00 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 2.21 0.00 7 L 7.31 3.81 0.00 1.66 1.67 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.88 3.87 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 9 Q 7.84 3.99 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 10 M 8.50 3.71 0.00 1.66 2.08 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.40 0.00 11 V 8.24 3.62 2.26 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 0.91 0.00 0.00 0.97 0.00 0.00 12 M 8.36 4.36 0.00 1.99 2.35 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 13 S 7.79 4.64 0.00 4.04 4.34 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 0.00 0.00 0.00 0.00 14 L 7.66 4.64 0.00 1.77 1.60 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 R 9.98 4.42 0.00 2.04 2.07 0.00 2.83 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 16 V 8.23 3.55 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 1.08 0.00 0.00 0.93 0.00 0.00 17 S 8.01 4.13 0.00 3.88 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 18 E 8.01 4.13 0.00 2.29 2.02 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 2.42 2.41 0.00 19 L 8.63 4.03 0.00 1.80 1.74 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.29 4.17 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 21 V 7.88 3.63 2.13 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 0.88 0.00 0.00 0.92 0.00 0.00 22 L 7.84 4.20 0.00 1.87 1.82 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.53 4.15 0.00 1.67 1.89 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.69 3.74 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 0.00 0.00 0.00 25 Y 9.01 4.35 0.00 2.77 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 26 A 7.58 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 4.13 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 0.00 0.00 0.00 28 R 7.61 3.97 0.00 1.82 1.93 0.00 3.38 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 29 N 8.46 4.55 0.00 2.69 2.72 0.00 0.00 6.79 6.68 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 30 K 8.03 4.38 0.00 1.87 1.78 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.57 7.81 31 H 8.06 4.20 0.00 3.08 3.21 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.15 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 33 R 7.73 4.27 0.00 1.88 1.91 0.00 3.13 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 34 K 8.41 3.92 0.00 1.83 1.81 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 35 H 8.23 4.26 0.00 3.30 3.29 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.13 3.99 0.00 2.28 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 2.43 2.42 0.00 37 L 8.27 3.99 0.00 1.86 1.71 0.98 0.57 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 38 L 9.09 3.97 0.00 1.90 1.65 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.26 3.55 4.40 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 1.05 0.00 0.00 40 K 7.95 3.95 0.00 2.06 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 A 8.19 4.03 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 42 L 8.76 4.09 0.00 1.78 1.74 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.60 4.27 0.00 3.38 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.57 4.07 0.00 1.87 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.87 4.12 0.00 1.93 1.71 0.98 0.47 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 46 K 7.98 3.95 0.00 1.70 1.80 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 A 8.34 4.02 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 48 G 7.94 3.77 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 0.00 0.00 0.00 49 C 8.20 4.71 0.00 3.08 2.78 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 50 S 8.68 4.21 0.00 3.88 3.81 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 51 P 0.00 4.59 0.00 2.28 2.30 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 52 A 7.86 4.08 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 53 V 7.62 3.95 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 1.27 0.00 0.00 0.92 0.00 0.00 54 Q 8.07 4.07 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 55 M 8.15 4.10 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 56 K 7.76 3.90 0.00 1.75 1.91 0.00 1.34 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.32 1.46 7.81 57 I 7.66 3.69 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.89 0.00 0.00 58 K 7.79 4.05 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.74 7.81 59 E 8.59 4.00 0.00 1.99 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 2.37 2.38 0.00 60 L 8.33 3.98 0.00 1.65 1.77 0.94 0.91 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 61 Y 8.42 4.12 0.00 3.13 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 62 R 8.78 4.23 0.00 2.26 2.14 0.00 3.35 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 63 R 8.15 3.51 0.00 1.86 2.03 0.00 3.14 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 64 R 7.33 4.49 0.00 1.73 1.76 0.00 3.40 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 65 F 8.91 3.64 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00