NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 2.0000 8.2393 120.5766 53.9396 31.3355 174.0433 2 W 5.1571 7.2863 114.1465 55.2286 32.1376 173.8586 3 C 5.1286 9.4164 117.9432 55.5732 40.9400 175.1510 4 V 4.0232 8.3625 113.9464 60.1879 36.0943 173.6577 5 Y 4.9283 7.4386 120.2459 57.4742 39.7388 174.4908 6 A 3.9280 7.8642 121.8025 50.7084 23.2991 174.5491 7 Y 5.5568 7.8799 116.6593 56.2831 40.2795 175.8680 8 V 4.6758 9.4936 123.0009 59.8624 35.2631 174.9425 9 R 4.9139 8.6527 123.0726 55.5563 30.4537 175.5938 10 I 4.5863 8.7666 127.6446 60.6716 40.8394 176.1400 11 R 3.9283 9.3350 122.7670 57.4942 27.2014 176.8714 12 G 3.9482 8.5497 102.2803 46.1413 0.0000 173.7995 13 V 4.5176 7.6303 118.5002 60.6357 35.7401 173.9842 14 L 5.0535 8.4549 125.8857 53.6905 43.0714 175.4220 15 V 4.5460 8.9947 127.2120 61.3328 34.0540 174.5882 16 R 5.4509 8.6848 125.6437 55.3510 32.1901 174.8499 17 Y 4.9943 8.5075 119.6114 56.0589 42.1934 173.4564 18 R 5.2086 8.7635 118.4411 54.7871 32.2976 175.9980 19 R 4.8587 9.0647 121.3124 54.7132 34.4836 173.6350 20 C 5.2773 8.2724 116.6759 54.3639 44.8104 174.4398 21 W 3.7152 8.3888 116.6561 56.6871 27.6044 176.0836 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 R 8.24 2.00 0.00 0.98 1.46 0.00 3.00 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.11 0.00 2 W 7.29 5.16 0.00 3.40 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.42 5.13 0.00 2.75 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 5 Y 7.44 4.93 0.00 2.63 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.93 0.78 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 0.00 0.00 7 Y 7.88 5.56 0.00 2.91 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 8 V 9.49 4.68 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 0.96 0.00 0.00 0.93 0.00 0.00 9 R 8.65 4.91 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 10 I 8.77 4.59 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.91 0.00 0.00 11 R 9.34 3.93 0.00 1.97 2.03 0.00 3.35 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 12 G 8.55 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.63 4.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 14 L 8.45 5.05 0.00 1.66 1.51 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.99 4.55 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 0.78 0.00 0.00 1.03 0.00 0.00 16 R 8.68 5.45 0.00 1.84 2.13 0.00 3.45 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 17 Y 8.51 4.99 0.00 2.95 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 18 R 8.76 5.21 0.00 1.84 2.14 0.00 3.29 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 19 R 9.06 4.86 0.00 1.81 1.71 0.00 3.29 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 20 C 8.27 5.28 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 3.72 0.00 3.07 2.34 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