NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9954 8.2127 109.7449 45.1289 0.0000 174.0778 2 I 3.1719 7.8324 119.0236 62.3440 37.4797 172.7268 3 V 3.4945 8.3129 120.0778 65.9373 31.3586 177.2088 4 E 3.9490 8.0759 117.8646 59.5241 28.4574 179.0969 5 Q 4.0657 8.4891 119.7351 58.6040 29.0457 176.4377 6 C 4.8149 8.2878 115.2017 56.0789 41.4715 174.0554 7 C 4.3169 8.0610 117.4155 60.4002 29.2982 175.4905 8 T 4.1041 7.4030 113.1719 65.9048 67.9575 174.8716 9 S 4.7740 7.4042 115.8386 56.1258 66.9292 173.4112 10 I 4.1061 8.1881 123.0512 61.5863 37.2490 176.9478 11 C 4.7700 8.6127 123.4522 56.1885 42.4397 174.3413 12 S 4.5118 9.1068 119.4111 57.9964 64.8093 175.6051 13 L 4.0369 8.4210 121.8159 58.0291 41.0759 179.1895 14 Y 4.2462 7.9802 118.4777 60.6903 39.2232 177.3482 15 Q 4.0872 8.4264 119.1296 59.0769 28.7813 178.9072 16 L 4.2682 8.1907 119.9169 57.8424 41.6551 179.3079 17 E 3.9268 8.1448 118.2361 58.7686 29.0426 178.6027 18 N 4.0137 7.5026 116.4323 55.9441 39.0272 175.2329 19 Y 4.5259 7.5941 116.3139 57.0326 38.3597 175.3632 20 C 4.5038 7.0942 118.2571 59.3006 29.0296 173.5275 21 N 4.5244 8.5600 118.0815 53.7795 38.1366 175.2939 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.17 0.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.32 0.62 0.00 0.00 3 V 8.31 3.49 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 0.98 0.00 0.00 0.86 0.00 0.00 4 E 8.08 3.95 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 5 Q 8.49 4.07 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 6 C 8.29 4.81 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.06 4.32 0.00 3.10 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 7.40 4.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 S 7.40 4.77 0.00 4.03 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.11 1.88 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 0.47 0.93 0.00 0.00 11 C 8.61 4.77 0.00 3.00 3.07 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 12 S 9.11 4.51 0.00 4.10 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.42 4.04 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.25 0.00 2.95 3.03 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 0.00 0.00 0.00 0.00 15 Q 8.43 4.09 0.00 2.44 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 16 L 8.19 4.27 0.00 1.89 1.79 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 3.93 0.00 1.95 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 2.30 2.48 0.00 18 N 7.50 4.01 0.00 2.34 1.90 0.00 0.00 7.11 7.35 0.00 0.00 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 7.59 4.53 0.00 3.13 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 7.09 4.50 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 4.52 0.00 2.71 2.73 0.00 0.00 6.80 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