NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.5086 8.1600 109.1485 45.4952 0.0000 174.4538 2 I 3.1249 8.2086 125.3796 63.0424 38.0134 172.5480 3 V 3.5057 8.4112 119.8928 66.1734 31.8242 177.1626 4 E 4.1214 8.0338 119.0172 58.9115 29.0817 179.1166 5 Q 4.1539 7.9335 116.9916 57.8682 29.1626 176.6729 6 C 5.0112 8.2760 115.8276 55.8839 41.9991 174.1936 7 C 4.3527 8.4450 120.3542 60.5073 31.8253 174.2421 8 T 4.4560 7.7174 106.7092 61.4477 69.3426 173.4128 9 S 4.6393 7.5875 117.5422 57.3734 67.2577 172.3773 10 I 4.7331 8.0796 121.5760 59.8692 39.3837 174.4894 11 C 5.3277 8.5259 115.8930 53.3042 42.9520 174.2250 12 S 4.5320 8.7003 117.5155 56.9287 64.6700 174.3572 13 L 3.9491 8.6615 120.9804 58.9261 41.1745 178.1750 14 Y 4.0109 7.6382 116.7005 60.4213 38.5462 177.2112 15 Q 4.1961 8.3035 119.0747 58.2881 28.9649 177.9711 16 L 4.4221 7.8127 119.2539 57.0091 41.9555 178.4788 17 E 4.1070 7.9957 117.8882 58.3248 29.1536 178.1694 18 N 4.2767 7.3510 114.5460 54.7008 38.5895 174.9497 19 Y 4.5070 7.3586 116.7898 57.7585 38.6069 175.5712 20 C 4.4827 7.5855 118.4088 59.1728 29.1125 173.5170 21 N 4.5310 8.4805 117.1140 53.7743 38.2627 175.5339 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 8.21 3.12 0.92 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.67 0.00 0.00 3 V 8.41 3.51 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 0.84 0.00 0.00 0.88 0.00 0.00 4 E 8.03 4.12 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 5 Q 7.93 4.15 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 6 C 8.28 5.01 0.00 2.87 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 7 C 8.44 4.35 0.00 2.83 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 8 T 7.72 4.46 4.24 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 1.21 0.00 0.00 9 S 7.59 4.64 0.00 4.03 3.76 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 10 I 8.08 4.73 1.89 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 0.59 0.93 0.00 0.00 11 C 8.53 5.33 0.00 3.18 3.33 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 0.00 0.00 0.00 0.00 12 S 8.70 4.53 0.00 4.08 4.10 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 0.00 0.00 0.00 13 L 8.66 3.95 0.00 1.81 1.80 0.94 0.77 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 14 Y 7.64 4.01 0.00 3.16 3.01 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 0.00 0.00 0.00 15 Q 8.30 4.20 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 16 L 7.81 4.42 0.00 1.73 1.78 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.00 4.11 0.00 1.96 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 2.48 0.00 18 N 7.35 4.28 0.00 2.15 2.25 0.00 0.00 6.87 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 7.36 4.51 0.00 3.02 2.95 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 20 C 7.59 4.48 0.00 2.94 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 21 N 8.48 4.53 0.00 2.71 2.72 0.00 0.00 6.75 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