NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9671 8.2127 109.7415 44.9895 0.0000 174.1376 2 I 3.4432 8.0756 119.1755 62.3620 37.3840 172.4815 3 V 3.5032 8.3985 120.3303 66.0448 31.6807 177.2809 4 E 4.0525 7.9507 116.5786 58.9778 29.4983 178.3056 5 Q 4.2350 8.2014 118.9028 57.7473 29.3392 175.9837 6 C 5.3625 8.2918 116.0017 55.7884 42.1482 174.0996 7 C 4.3675 8.0018 117.0885 59.8474 28.4561 174.0177 8 T 4.4162 7.9080 109.6244 62.1373 70.1826 174.6572 9 S 4.7297 7.5683 114.7750 55.6735 65.9725 173.0073 10 I 4.1786 8.1669 122.7542 60.8674 36.8183 177.0130 11 C 4.7654 8.6382 123.3958 56.6961 41.3589 173.5664 12 S 4.7785 8.8053 117.2446 56.7488 66.1506 175.1833 13 L 3.9020 8.2157 120.6283 58.0332 40.9402 179.3578 14 Y 4.0447 7.7146 115.6907 60.9853 38.0748 177.7417 15 Q 4.2085 8.1655 119.0227 58.8889 28.7503 178.5834 16 L 4.3013 8.3793 120.1151 57.4202 41.6526 178.9420 17 E 4.0255 7.9370 119.3934 58.7879 29.2507 178.4483 18 N 4.3102 7.6329 116.3893 56.3219 38.4435 176.0851 19 Y 4.3885 7.5565 116.0363 60.0538 38.0656 176.1167 20 C 4.7912 7.8764 117.8257 59.1164 30.1359 173.4930 21 N 4.6149 8.5575 117.3531 54.1546 38.7197 174.4669 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 8.21 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 0.00 0.00 0.00 2 I 8.08 3.44 0.88 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.63 0.00 0.00 3 V 8.40 3.50 2.05 0.00 0.00 0.00 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 0.88 0.00 0.00 4 E 7.95 4.05 0.00 2.12 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 2.32 2.42 0.00 5 Q 8.20 4.24 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 6 C 8.29 5.36 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.37 0.00 3.18 2.94 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 0.00 0.00 0.00 0.00 8 T 7.91 4.42 4.25 0.00 0.00 0.00 0.00 0.00 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 7.57 4.73 0.00 3.98 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 10 I 8.17 4.18 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 1.42 0.55 0.93 0.00 0.00 11 C 8.64 4.77 0.00 3.01 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 12 S 8.81 4.78 0.00 4.16 4.09 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 13 L 8.22 3.90 0.00 1.19 1.52 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.71 4.04 0.00 2.99 3.04 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 0.00 0.00 0.00 0.00 15 Q 8.17 4.21 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 L 8.38 4.30 0.00 1.85 1.78 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.94 4.03 0.00 2.12 2.16 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 2.31 2.34 0.00 18 N 7.63 4.31 0.00 2.29 2.56 0.00 0.00 7.02 7.31 0.00 0.00 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 7.56 4.39 0.00 3.10 2.97 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 20 C 7.88 4.79 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.61 0.00 2.68 2.68 0.00 0.00 6.62 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