NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8797 8.4549 115.5926 55.2994 38.9759 172.3499 2 K 4.6627 8.6558 115.9822 54.6924 36.7290 174.6396 3 Q 4.5691 9.2355 124.2767 55.0149 30.8685 174.8301 4 A 3.7307 8.3929 123.6399 53.9832 18.8011 177.2312 5 D 4.5883 8.4867 120.5298 54.4092 40.7204 173.3362 6 E 4.6806 7.6463 116.9986 53.2456 31.3816 173.8049 7 P 4.7179 0.0000 0.0000 62.3824 32.1231 174.2734 8 C 4.7417 8.1357 114.4988 54.7148 44.1909 172.1671 9 D 4.7213 8.5195 119.8018 53.6366 41.9465 177.2003 10 V 4.2414 8.2072 128.7346 60.5893 30.7450 175.2959 11 F 4.9107 7.8212 119.2989 59.7572 42.6908 173.7933 12 S 4.0689 7.3109 113.2566 57.3352 65.8888 173.0083 13 L 4.8329 7.2794 122.9435 54.2632 43.2712 173.9372 14 D 4.5719 7.9918 121.9704 53.2041 47.3144 175.4034 15 C 5.6301 6.6976 116.3558 53.8528 45.5294 173.8451 16 C 4.3062 8.9062 122.9210 59.0655 39.8133 173.9643 17 T 4.4577 7.8977 111.9842 61.2685 70.0787 173.0044 18 G 3.4839 7.8608 113.0211 46.0368 0.0000 175.6835 19 I 5.4203 9.0661 130.1366 59.7306 39.5735 175.8568 20 C 5.1117 8.6276 115.4580 56.7865 44.5103 174.9809 21 L 4.2589 7.6336 128.3529 52.0499 40.5874 175.5134 22 G 4.3701 9.2039 115.8447 45.5805 0.0000 172.3672 23 V 4.3724 7.0614 109.4150 59.4040 35.4691 173.3970 24 C 3.8702 8.2527 121.4944 57.8815 43.3364 174.2670 25 M 4.1362 5.8600 128.6307 53.8799 32.1027 176.3326 26 W 4.6171 6.8170 120.9662 57.0904 27.8201 173.9681 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 C 8.45 4.88 0.00 3.04 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 2 K 8.66 4.66 0.00 1.71 1.69 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.64 7.81 3 Q 9.24 4.57 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 4 A 8.39 3.73 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 5 D 8.49 4.59 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.65 4.68 0.00 2.09 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 2.28 2.41 0.00 7 P 0.00 4.72 0.00 2.18 2.04 0.00 3.41 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 8 C 8.14 4.74 0.00 3.10 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 9 D 8.52 4.72 0.00 2.74 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 10 V 8.21 4.24 2.39 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 0.79 0.00 0.00 1.03 0.00 0.00 11 F 7.82 4.91 0.00 2.89 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 12 S 7.31 4.07 0.00 3.30 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 13 L 7.28 4.83 0.00 1.70 1.58 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.99 4.57 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 6.70 5.63 0.00 3.03 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.91 4.31 0.00 3.04 3.16 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 0.00 17 T 7.90 4.46 4.32 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 1.42 0.00 0.00 18 G 7.86 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 9.07 5.42 2.22 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.76 0.99 0.00 0.00 20 C 8.63 5.11 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 21 L 7.63 4.26 0.00 1.60 1.61 1.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.20 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 0.00 0.00 0.00 0.00 23 V 7.06 4.37 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.81 0.00 0.00 24 C 8.25 3.87 0.00 3.00 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 25 M 5.86 4.14 0.00 1.18 0.57 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 26 W 6.82 4.62 0.00 3.36 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