NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0833 8.2516 117.5876 54.5674 33.6098 175.3889 2 N 4.8675 7.7942 118.1646 50.9766 42.5145 169.7975 3 V 3.7091 8.6362 121.1391 64.6103 32.2558 178.0375 4 T 4.0612 8.0535 112.3638 64.5526 67.1908 176.6102 5 K 4.0142 8.4483 120.9067 59.0465 32.0704 178.9014 6 L 3.9295 7.9852 120.6626 58.3153 41.9810 178.4054 7 N 4.2711 8.5029 117.3205 56.8027 38.7401 176.2451 8 D 4.2774 8.0949 119.2006 57.5659 41.2962 178.5415 9 R 4.0511 8.2663 118.6059 59.0174 29.9453 179.2923 10 I 3.7266 7.7487 119.9994 64.1809 37.1343 177.8255 11 E 3.8933 8.3377 120.1642 59.4492 29.4225 178.8460 12 A 4.0096 8.4133 121.0836 54.8946 18.3331 179.5251 13 K 3.8601 7.8168 118.1994 59.1608 32.1752 179.0254 14 K 3.9079 8.5011 119.3700 59.7131 32.0659 179.3080 15 K 3.9865 8.0287 118.3951 59.3923 31.9424 179.0881 16 E 3.9133 8.4149 119.7637 59.0973 29.5271 178.5681 17 L 4.0430 8.3578 120.7902 58.3154 42.0757 178.8635 18 I 3.7665 8.1027 119.9628 64.7514 36.9541 177.7391 19 Y 4.0844 8.1425 120.1900 60.7901 38.6264 178.1737 20 L 4.3116 8.2288 119.9706 57.6380 41.6442 179.5481 21 V 3.8505 8.1338 118.5922 65.9578 31.1960 178.0267 22 E 3.9227 7.7798 117.5019 59.2619 29.3886 179.0173 23 K 3.9108 7.4950 116.9953 58.5215 32.3179 177.9985 24 Y 4.3908 8.4480 115.4956 57.5728 39.9085 176.9501 25 G 4.1540 7.4338 105.6760 44.9482 0.0000 174.2645 26 F 4.3631 8.6492 121.5989 60.3427 39.6751 176.2697 27 T 4.1945 7.8340 114.8839 64.3814 68.9182 174.6508 28 H 4.3370 7.9462 122.5162 55.6486 31.5259 174.9899 29 H 3.9449 8.1919 125.3267 59.2736 28.5739 178.0061 30 K 3.7552 7.2573 120.6192 58.7296 31.8750 179.5016 31 V 3.7769 7.5302 118.0677 65.8300 31.5279 178.0189 32 I 3.3629 7.6867 120.0284 64.3211 37.0648 178.6038 33 S 4.2081 8.0159 115.3622 61.5071 62.7582 176.5194 34 F 4.5369 8.2086 121.7615 60.3602 38.5200 177.8692 35 S 4.3619 8.2617 115.1057 61.6809 62.5631 176.7151 36 Q 4.0139 8.1328 120.9001 58.7923 28.4937 178.3832 37 E 3.9661 8.2392 120.5442 59.1212 29.7147 178.5914 38 L 3.9932 8.5723 120.8615 58.1874 42.1840 178.3888 39 D 4.3453 8.5247 118.4115 57.2466 41.1202 178.1521 40 R 3.8849 8.1027 119.2451 59.6385 29.9000 178.6028 41 L 4.0811 7.6852 117.1847 57.4855 41.5952 178.8766 42 L 4.0956 8.1497 120.5999 58.0838 41.9934 178.4767 43 N 4.3067 8.7755 117.4083 56.6460 38.7904 176.6449 44 L 3.9550 7.8580 120.4124 57.7784 41.7754 179.4126 45 L 3.9589 7.5967 118.4592 58.0290 41.5392 179.8048 46 I 3.7319 7.6433 119.0417 64.1574 36.7712 177.9462 47 E 3.9007 8.7839 120.4629 59.4912 29.5621 178.9939 48 L 4.0523 8.2881 119.3688 57.6480 41.4401 179.6613 49 K 4.1764 7.8417 117.6178 59.3746 32.0431 178.9234 50 T 4.0572 8.0590 112.6499 64.1581 67.4287 176.0674 51 K 4.1102 7.8954 120.5454 57.9869 32.3603 178.9498 52 K 3.5029 8.6091 115.1011 58.5894 33.5875 175.7338 53 K 4.3349 8.4991 116.6017 56.5566 32.7339 176.4737 54 R 4.5716 7.3778 118.1474 54.2763 33.3289 176.1372 55 Y 4.1409 8.3314 118.7742 61.4593 37.5571 179.1616 56 S 4.7384 8.3183 116.1705 60.7721 62.8904 176.0207 57 L 4.1323 8.0805 122.5276 57.3296 41.9361 177.9936 58 L 4.4848 7.7538 117.9115 55.8652 43.8560 176.7971 59 E 4.9144 8.8483 118.0649 54.7068 28.5144 176.9039 60 H 4.4331 7.4285 115.1387 58.1092 30.0747 176.3155 61 H 4.7326 7.5699 116.3427 55.3370 32.4604 169.0125 62 H 4.2373 9.1651 130.3170 55.9557 30.7730 173.2005 63 H 4.9897 7.9838 120.6397 54.0580 31.0973 173.8887 64 H 4.4487 8.3397 116.7324 56.0746 28.6538 175.2389 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 8.25 5.08 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 2 N 7.79 4.87 0.00 2.82 2.68 0.00 0.00 7.25 6.85 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 3 V 8.64 3.71 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 0.74 0.00 0.00 0.96 0.00 0.00 4 T 8.05 4.06 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 1.32 0.00 0.00 5 K 8.45 4.01 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.59 7.81 6 L 7.99 3.93 0.00 1.90 1.88 0.99 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.50 4.27 0.00 2.84 3.00 0.00 0.00 6.94 8.05 0.00 0.00 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 D 8.09 4.28 0.00 2.92 2.86 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 0.00 0.00 0.00 9 R 8.27 4.05 0.00 2.07 1.96 0.00 3.22 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 10 I 7.75 3.73 2.07 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 1.42 0.84 0.93 0.00 0.00 11 E 8.34 3.89 0.00 2.15 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 2.31 2.34 0.00 12 A 8.41 4.01 1.29 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 0.00 0.00 0.00 13 K 7.82 3.86 0.00 1.94 1.99 0.00 1.43 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.53 7.81 14 K 8.50 3.91 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.74 7.81 15 K 8.03 3.99 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.59 7.81 16 E 8.41 3.91 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 2.15 2.23 0.00 17 L 8.36 4.04 0.00 1.97 1.95 1.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.10 3.77 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.96 0.00 0.00 19 Y 8.14 4.08 0.00 3.20 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 20 L 8.23 4.31 0.00 2.11 1.96 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.13 3.85 2.33 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 1.26 0.00 0.00 1.26 0.00 0.00 22 E 7.78 3.92 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 23 K 7.49 3.91 0.00 1.33 1.20 0.00 1.41 0.00 0.00 1.47 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 1.00 7.81 24 Y 8.45 4.39 0.00 2.98 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 25 G 7.43 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 0.00 0.00 0.00 0.00 26 F 8.65 4.36 0.00 2.98 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 27 T 7.83 4.19 4.26 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 1.21 0.00 0.00 28 H 7.95 4.34 0.00 3.33 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.19 3.94 0.00 2.96 3.15 0.00 5.69 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 30 K 7.26 3.76 0.00 1.57 1.42 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.14 7.81 31 V 7.53 3.78 2.20 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 1.09 0.00 0.00 1.11 0.00 0.00 32 I 7.69 3.36 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.77 0.00 0.00 33 S 8.02 4.21 0.00 3.79 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 34 F 8.21 4.54 0.00 3.05 3.03 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 35 S 8.26 4.36 0.00 4.04 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 36 Q 8.13 4.01 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 37 E 8.24 3.97 0.00 2.24 2.29 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 2.37 2.38 0.00 38 L 8.57 3.99 0.00 1.95 1.91 1.00 1.23 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 39 D 8.52 4.35 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.88 0.00 2.05 2.19 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 41 L 7.69 4.08 0.00 1.70 1.73 0.99 0.96 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 42 L 8.15 4.10 0.00 1.89 1.87 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.78 4.31 0.00 2.86 3.05 0.00 0.00 7.22 6.58 0.00 0.00 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 L 7.86 3.95 0.00 1.97 1.66 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.60 3.96 0.00 1.82 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.64 3.73 2.00 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 1.53 0.82 0.91 0.00 0.00 47 E 8.78 3.90 0.00 2.04 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 0.00 2.31 2.36 0.00 48 L 8.29 4.05 0.00 1.74 1.72 0.94 0.83 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 49 K 7.84 4.18 0.00 1.86 1.87 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 50 T 8.06 4.06 4.37 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 1.30 0.00 0.00 51 K 7.90 4.11 0.00 1.97 1.80 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.68 7.81 52 K 8.61 3.50 0.00 1.91 1.96 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.33 7.81 53 K 8.50 4.33 0.00 1.79 1.90 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.36 7.81 54 R 7.38 4.57 0.00 1.81 1.90 0.00 3.28 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 55 Y 8.33 4.14 0.00 3.01 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 56 S 8.32 4.74 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.08 4.13 0.00 1.68 1.81 0.99 1.20 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 58 L 7.75 4.48 0.00 2.03 1.78 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.85 4.91 0.00 2.19 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 2.57 2.29 0.00 60 H 7.43 4.43 0.00 3.15 3.60 0.00 5.50 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 7.57 4.73 0.00 3.24 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.17 4.24 0.00 3.36 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.98 4.99 0.00 3.16 3.20 0.00 5.76 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 64 H 8.34 4.45 0.00 3.13 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00