NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6549 8.3649 120.5464 53.0910 43.1475 175.4192 2 K 4.4764 7.1803 116.5759 57.2167 35.8986 177.1425 3 N 4.4448 8.8529 117.1013 55.8840 39.7425 175.5798 4 P 4.3297 0.0000 0.0000 64.7226 31.5470 178.2438 5 F 4.4149 8.2145 119.8223 61.2462 39.5607 176.9713 6 K 3.5212 7.7895 118.6195 58.8476 31.8960 178.2011 7 E 3.8913 7.8064 120.0026 59.1777 29.4773 178.7009 8 L 3.9511 7.6230 118.8174 57.8070 41.4963 179.6978 9 K 4.0060 7.7565 116.7423 59.2373 32.0877 179.1918 10 G 3.8063 7.8551 105.2493 47.6216 0.0000 175.8132 11 G 3.6996 7.6799 106.9191 47.7210 0.0000 173.8635 12 C 4.4520 7.8043 122.8809 59.4996 28.3619 173.5053 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 D 8.36 4.65 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.18 4.48 0.00 1.86 1.74 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.50 7.81 3 N 8.85 4.44 0.00 2.75 2.86 0.00 0.00 6.92 8.05 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 4 P 0.00 4.33 0.00 2.15 2.14 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 5 F 8.21 4.41 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.79 3.52 0.00 1.95 1.87 0.00 1.32 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.38 7.81 7 E 7.81 3.89 0.00 1.99 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 0.00 2.29 2.49 0.00 8 L 7.62 3.95 0.00 1.72 1.68 0.93 1.23 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 9 K 7.76 4.01 0.00 1.67 1.74 0.00 1.33 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.15 7.81 10 G 7.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.68 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 0.00 0.00 0.00 12 C 7.80 4.45 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00