NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2748 8.2544 119.7064 57.9855 30.3905 174.1640 2 L 4.9013 7.3592 127.4810 53.9678 44.5550 171.8952 3 L 4.7530 8.2950 123.5491 55.0796 43.5723 173.6719 4 I 3.2722 8.4845 120.9903 61.4959 36.3536 172.1028 5 A 4.5074 8.3165 119.2512 53.0864 23.0883 175.7513 6 D 4.6388 7.8859 114.5271 51.7887 43.0189 172.9161 7 P 4.7008 0.0000 0.0000 61.4229 32.6800 174.5644 8 P 4.3434 0.0000 0.0000 63.6123 31.8159 174.5545 9 S 4.4890 7.2599 109.4998 56.0518 62.9511 171.1772 10 P 5.1427 0.0000 0.0000 60.9913 35.0117 172.9816 11 R 4.0025 8.3734 118.5710 57.8520 31.5034 174.0867 12 E 4.0807 8.1473 116.5496 55.8022 30.4175 176.4614 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 R 8.25 4.27 0.00 1.82 2.00 0.00 3.31 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 2 L 7.36 4.90 0.00 1.80 1.63 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.30 4.75 0.00 1.64 1.46 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.48 3.27 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.29 0.98 0.00 0.00 5 A 8.32 4.51 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.64 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.29 2.02 0.00 3.81 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 1.95 1.97 0.00 8 P 0.00 4.34 0.00 2.06 2.14 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 S 7.26 4.49 0.00 4.06 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 10 P 0.00 5.14 0.00 2.14 2.05 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 11 R 8.37 4.00 0.00 1.71 1.76 0.00 3.29 0.00 0.00 3.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 12 E 8.15 4.08 0.00 2.03 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 0.00 2.26 2.28 0.00