NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4070 8.1627 120.3486 55.0658 33.7867 175.7536 2 K 3.7320 8.6998 127.2386 58.8905 32.3601 173.8544 3 V 3.5655 7.9350 118.2337 65.8492 31.8498 177.1894 4 K 3.9065 7.9935 118.7963 59.7227 32.1535 178.5638 5 Q 4.0041 8.1879 118.2429 59.0350 28.5073 178.9364 6 L 4.0368 8.1674 120.1269 57.5825 41.6116 179.6671 7 V 3.5715 8.0267 118.4617 66.0770 31.4618 177.7661 8 D 4.3607 8.2874 118.7551 57.1936 40.6246 178.8431 9 K 3.9487 7.9704 120.2974 59.4510 32.2198 179.2894 10 V 3.6594 8.0381 119.7395 64.9536 31.1862 178.1914 11 E 3.9734 8.3840 119.2206 59.1191 29.2727 179.1292 12 E 3.9898 8.2265 118.6892 59.4992 29.4504 179.4785 13 L 4.0807 8.0495 119.0040 57.5889 41.6674 179.4536 14 L 4.0078 8.3521 119.5370 57.9688 41.6661 179.7936 15 S 4.1866 8.1687 115.1122 61.4510 62.7827 176.8695 16 K 4.0762 8.1898 121.3176 59.4107 31.7153 178.8438 17 N 4.3122 8.5305 117.6692 56.7450 38.8857 176.0478 18 Y 4.1251 8.0756 120.8464 61.3822 38.7974 178.1371 19 H 4.1000 8.1781 116.5271 58.6338 28.6788 177.9057 20 L 3.9593 8.0837 120.9792 57.6875 41.4708 179.6131 21 V 3.5415 8.0818 118.5709 66.1418 31.4753 177.8569 22 N 4.2248 8.0061 116.1662 56.1812 38.2827 177.0562 23 E 3.9102 8.3202 121.0359 59.1608 29.6399 179.0456 24 V 3.5430 8.1008 118.4121 65.8741 31.5879 177.8025 25 A 3.9522 8.0596 120.5533 55.1425 18.1822 179.5719 26 R 3.8027 8.0352 117.1207 59.6600 30.0974 178.8419 27 L 4.0260 8.1015 118.8570 57.6235 41.6053 179.6405 28 V 3.5587 8.1517 118.7762 65.7082 31.2213 178.0518 29 K 3.9453 7.8006 118.5369 59.4481 32.4726 178.5549 30 L 4.1198 7.8876 119.3087 57.8934 41.5760 179.7390 31 V 3.7430 8.1715 118.5732 65.7528 31.2462 178.1122 32 G 3.7443 8.0554 104.2385 46.7056 0.0000 174.4651 33 E 4.3841 7.6345 118.6390 56.6628 29.8989 176.4909 34 R 4.1277 7.6931 123.8653 56.4324 30.2031 176.2192 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 8.16 4.41 0.00 2.03 2.00 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 2.56 2.48 0.00 2 K 8.70 3.73 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 3 V 7.94 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 4 K 7.99 3.91 0.00 1.82 1.92 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.48 7.81 5 Q 8.19 4.00 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 6 L 8.17 4.04 0.00 1.86 1.71 0.92 0.65 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 7 V 8.03 3.57 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 8 D 8.29 4.36 0.00 2.90 2.70 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 0.00 0.00 0.00 9 K 7.97 3.95 0.00 1.95 1.97 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 10 V 8.04 3.66 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 0.98 0.00 0.00 0.93 0.00 0.00 11 E 8.38 3.97 0.00 2.15 2.03 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 2.49 2.48 0.00 12 E 8.23 3.99 0.00 2.20 2.01 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 2.34 2.54 0.00 13 L 8.05 4.08 0.00 1.85 1.72 0.93 0.58 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 14 L 8.35 4.01 0.00 1.81 1.71 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.17 4.19 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.19 4.08 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.70 7.81 17 N 8.53 4.31 0.00 2.77 3.07 0.00 0.00 6.85 8.14 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 18 Y 8.08 4.13 0.00 3.11 3.09 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 0.00 0.00 0.00 19 H 8.18 4.10 0.00 3.30 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.08 3.96 0.00 1.84 1.71 0.97 0.56 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 21 V 8.08 3.54 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 0.99 0.00 0.00 1.02 0.00 0.00 22 N 8.01 4.22 0.00 2.72 2.68 0.00 0.00 6.69 7.01 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 23 E 8.32 3.91 0.00 2.04 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 2.29 2.34 0.00 24 V 8.10 3.54 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 1.03 0.00 0.00 0.95 0.00 0.00 25 A 8.06 3.95 1.34 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 0.00 0.00 26 R 8.04 3.80 0.00 1.97 2.09 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 L 8.10 4.03 0.00 1.86 1.69 0.91 0.67 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 28 V 8.15 3.56 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 29 K 7.80 3.95 0.00 1.90 1.95 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 L 7.89 4.12 0.00 1.89 1.69 0.91 0.87 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 31 V 8.17 3.74 2.12 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 1.00 0.00 0.00 0.95 0.00 0.00 32 G 8.06 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 33 E 7.63 4.38 0.00 2.15 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 2.54 2.48 0.00 34 R 7.69 4.13 0.00 1.92 1.83 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00