NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.5055 8.1600 109.1406 45.4129 0.0000 174.3947 2 I 3.5167 8.0362 126.8186 62.6313 37.4388 172.5053 3 V 3.4963 8.3115 120.1679 65.8156 31.8149 177.3421 4 E 3.9478 7.9530 117.7232 60.2196 29.4042 177.8692 5 Q 3.8424 8.7463 118.5600 59.9722 28.5888 177.5218 6 C 4.0882 8.3078 122.1043 59.7340 40.7671 175.0719 7 C 4.4167 7.4784 118.1694 61.0152 32.3078 174.7350 8 T 4.2023 8.1745 109.0387 62.9466 69.2542 173.8902 9 S 4.7902 9.9607 117.1355 56.7376 66.0772 171.9495 10 I 4.3670 8.3597 114.8717 59.9443 38.7504 173.9019 11 C 5.1546 8.8480 119.1437 53.0092 45.3690 173.3804 12 S 4.8524 8.0660 114.9047 56.6314 66.1406 174.7540 13 L 3.8748 8.3152 122.5638 58.5719 41.0392 179.5020 14 Y 4.3463 7.5569 114.8228 61.3681 37.7735 178.3224 15 Q 4.2536 8.2758 118.9376 58.9574 28.8194 178.7800 16 L 4.1967 8.1588 120.1015 57.7330 41.4697 179.3427 17 E 4.1311 8.3409 118.7059 59.1836 29.1538 178.2900 18 N 4.6887 7.7961 112.4961 54.4098 38.5751 174.9553 19 Y 4.4021 7.7853 117.2847 57.7547 38.7951 175.7014 20 C 4.4796 7.6090 118.3879 58.8328 29.2384 173.2734 21 N 4.4905 8.5929 119.4750 54.0224 38.5616 174.7926 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 G 8.16 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.52 0.70 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 0.92 0.93 0.26 0.00 0.00 3 V 8.31 3.50 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 0.97 0.00 0.00 0.84 0.00 0.00 4 E 7.95 3.95 0.00 2.21 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 0.00 2.39 2.40 0.00 5 Q 8.75 3.84 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 6 C 8.31 4.09 0.00 3.11 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 7 C 7.48 4.42 0.00 2.91 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 8 T 8.17 4.20 4.23 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 1.21 0.00 0.00 9 S 9.96 4.79 0.00 3.91 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 10 I 8.36 4.37 1.87 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 1.48 0.64 0.91 0.00 0.00 11 C 8.85 5.15 0.00 3.17 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 8.07 4.85 0.00 4.12 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.87 0.00 1.29 1.56 0.79 0.75 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 14 Y 7.56 4.35 0.00 3.00 2.96 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 0.00 0.00 0.00 0.00 15 Q 8.28 4.25 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 16 L 8.16 4.20 0.00 1.93 1.75 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.34 4.13 0.00 2.35 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 0.00 2.38 2.39 0.00 18 N 7.80 4.69 0.00 2.72 2.76 0.00 0.00 6.89 7.34 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 19 Y 7.79 4.40 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.61 4.48 0.00 2.94 2.88 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 21 N 8.59 4.49 0.00 2.68 2.70 0.00 0.00 6.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00