NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4035 0.0000 0.0000 61.4738 32.6617 175.8947 2 P 4.2002 0.0000 0.0000 60.1756 31.6985 174.0271 3 P 4.4937 0.0000 0.0000 61.6173 33.0557 175.5750 4 P 4.3569 0.0000 0.0000 61.9083 31.7854 174.8214 5 P 4.3702 0.0000 0.0000 62.1150 31.8536 174.7156 6 P 4.4316 0.0000 0.0000 61.7320 31.8397 174.7925 7 P 4.4806 0.0000 0.0000 61.8292 31.9926 174.2215 8 P 4.5713 0.0000 0.0000 61.1455 32.3536 174.1148 9 P 4.4203 0.0000 0.0000 62.8146 31.8795 176.8331 10 L 4.2813 8.2579 118.5395 55.0694 41.7756 176.8280 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 P 0.00 4.40 0.00 2.17 2.13 0.00 3.48 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 1.88 2.08 0.00 2 P 0.00 4.20 0.00 2.26 2.10 0.00 3.50 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 1.99 2.13 0.00 3 P 0.00 4.49 0.00 2.20 2.09 0.00 3.78 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 4 P 0.00 4.36 0.00 2.06 2.03 0.00 3.70 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 2.03 2.11 0.00 5 P 0.00 4.37 0.00 2.03 2.01 0.00 3.68 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 2.03 2.13 0.00 6 P 0.00 4.43 0.00 2.04 1.98 0.00 3.68 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 2.02 2.07 0.00 7 P 0.00 4.48 0.00 2.17 2.06 0.00 3.76 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 1.98 1.95 0.00 8 P 0.00 4.57 0.00 2.20 2.10 0.00 3.77 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 9 P 0.00 4.42 0.00 2.06 2.03 0.00 3.66 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 2.02 2.11 0.00 10 L 8.26 4.28 0.00 1.62 1.56 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00