NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0262 8.0549 120.3925 62.3249 32.8283 175.9330 4 P 4.1412 0.0000 0.0000 62.1412 31.7451 174.3473 5 T 4.3417 7.3655 112.4203 60.0985 70.9598 172.2182 6 P 4.2891 0.0000 0.0000 64.1813 31.9550 176.0272 7 K 4.3063 7.7716 118.7791 54.6915 33.6435 177.1734 8 R 4.3104 8.2893 122.5888 54.6562 31.1036 174.7009 9 P 4.5320 0.0000 0.0000 62.3224 32.2916 175.9673 10 R 4.1699 8.3968 118.4692 54.5145 30.6995 176.8300 11 G 3.9625 7.8277 111.3105 45.5671 0.0000 171.1275 12 R 4.3001 7.9877 119.7754 53.8696 30.5309 174.0451 13 P 4.2395 0.0000 0.0000 62.2021 31.9790 175.2701 14 K 4.2005 8.3963 118.5698 57.1613 32.5986 177.5420 15 G 3.7592 8.9017 111.5575 46.0819 0.0000 172.7963 16 S 4.3760 7.9929 114.3913 56.9575 62.5875 173.6659 17 K 4.5028 8.2894 127.1915 54.9232 33.5422 176.1091 18 N 4.5290 8.4659 119.1177 53.2501 38.5689 174.7950 19 K 4.1760 8.0898 123.4484 57.7290 33.3177 176.5103 20 G 3.7619 7.6936 108.0942 44.7443 0.0000 172.7167 21 A 4.1963 8.4837 127.7322 51.7072 19.3106 177.1647 22 A 4.5071 8.5547 125.2452 52.3242 18.4522 177.3859 23 K 4.3640 7.3975 118.5715 56.5659 33.4173 176.2820 24 T 4.2936 8.0137 114.3455 61.4024 68.1436 174.4284 25 R 4.3199 8.1692 126.2081 55.3568 30.8478 175.7460 26 K 4.1028 7.9490 119.8995 57.4152 32.9831 176.5455 27 T 4.1558 7.5677 118.2807 62.0678 67.3166 174.5016 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 3 V 8.05 4.03 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 0.99 0.00 0.00 0.93 0.00 0.00 4 P 0.00 4.14 0.00 2.16 1.93 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 5 T 7.37 4.34 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 6 P 0.00 4.29 0.00 2.20 2.05 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 7 K 7.77 4.31 0.00 1.75 1.78 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.51 7.81 8 R 8.29 4.31 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 9 P 0.00 4.53 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 R 8.40 4.17 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 11 G 7.83 3.96 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 0.00 0.00 0.00 12 R 7.99 4.30 0.00 1.77 1.85 0.00 3.28 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 13 P 0.00 4.24 0.00 2.07 2.04 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 14 K 8.40 4.20 0.00 1.74 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.37 7.81 15 G 8.90 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 0.00 0.00 0.00 16 S 7.99 4.38 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.29 4.50 0.00 1.78 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.39 7.81 18 N 8.47 4.53 0.00 2.71 2.75 0.00 0.00 6.93 7.61 0.00 0.00 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 K 8.09 4.18 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 20 G 7.69 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 0.00 0.00 0.00 21 A 8.48 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.55 4.51 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.40 4.36 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.37 7.81 24 T 8.01 4.29 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 25 R 8.17 4.32 0.00 1.84 1.84 0.00 3.25 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 26 K 7.95 4.10 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 27 T 7.57 4.16 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