NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1958 8.4444 120.2282 56.1267 31.4808 176.2113 2 N 4.1758 8.4603 129.8412 53.6941 39.3962 172.1841 3 A 4.0201 8.7587 130.4453 55.2020 18.9670 178.0598 4 L 4.0517 7.9605 118.0442 58.1166 42.4254 178.3082 5 L 4.1420 7.6973 118.9100 58.5698 41.8112 179.1034 6 R 4.1914 7.8412 116.2638 58.8580 30.0149 176.7567 7 Y 4.4522 8.9136 119.7520 59.6282 39.2118 177.2678 8 L 3.9213 7.8169 118.7494 57.7994 41.9136 179.0358 9 L 4.1648 8.2820 117.7145 55.8009 41.7902 177.0944 10 D 4.3291 7.0467 119.7985 53.7571 41.3901 175.9072 11 K 4.2988 8.3179 127.5542 55.5453 33.3344 176.4673 12 D 4.5074 8.4241 123.2565 53.7029 39.8175 174.7193 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 E 8.44 4.20 0.00 1.98 1.86 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 2.22 2.25 0.00 2 N 8.46 4.18 0.00 2.84 2.76 0.00 0.00 6.76 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.76 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.96 4.05 0.00 1.79 1.85 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.70 4.14 0.00 1.82 1.70 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.84 4.19 0.00 2.04 2.19 0.00 3.51 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 7 Y 8.91 4.45 0.00 2.97 3.16 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 0.00 0.00 0.00 8 L 7.82 3.92 0.00 1.83 1.71 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.28 4.16 0.00 1.54 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.05 4.33 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.32 4.30 0.00 1.79 1.70 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.37 7.81 12 D 8.42 4.51 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00