NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3948 0.0000 0.0000 61.7416 32.7358 176.1584 3 P 4.3648 0.0000 0.0000 59.7054 32.3546 173.4946 4 P 4.6065 0.0000 0.0000 61.1326 33.4480 175.4368 5 P 4.3714 0.0000 0.0000 61.7757 31.7773 175.0123 6 P 4.4449 0.0000 0.0000 61.7699 31.9150 174.3429 7 P 4.4829 0.0000 0.0000 61.4881 32.0418 174.1774 8 P 4.3695 0.0000 0.0000 61.7873 31.6717 174.7080 9 P 4.4132 0.0000 0.0000 61.6644 32.0343 174.2559 10 P 4.5823 0.0000 0.0000 61.0575 32.4841 174.1109 11 P 4.2322 0.0000 0.0000 62.2727 31.4907 175.1119 12 P 4.5611 0.0000 0.0000 61.2857 32.3877 173.9124 13 P 4.5184 0.0000 0.0000 61.2574 31.9077 174.7654 14 P 4.5059 0.0000 0.0000 61.6512 32.0165 174.5495 15 P 4.4769 0.0000 0.0000 61.5138 32.1085 174.6125 16 P 4.3941 0.0000 0.0000 63.3771 30.9368 176.1114 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 2 P 0.00 4.39 0.00 2.06 2.06 0.00 3.64 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 1.92 2.08 0.00 3 P 0.00 4.36 0.00 2.26 2.04 0.00 3.76 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 1.98 2.01 0.00 4 P 0.00 4.61 0.00 2.20 2.09 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 1.97 1.98 0.00 5 P 0.00 4.37 0.00 2.06 2.03 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 6 P 0.00 4.44 0.00 2.17 2.05 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 7 P 0.00 4.48 0.00 2.20 2.10 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 4.37 0.00 2.20 2.11 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 9 P 0.00 4.41 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.83 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 10 P 0.00 4.58 0.00 2.20 2.10 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 11 P 0.00 4.23 0.00 2.06 2.04 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 2.03 2.08 0.00 12 P 0.00 4.56 0.00 2.17 2.06 0.00 3.76 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 13 P 0.00 4.52 0.00 2.06 2.03 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 2.02 2.06 0.00 14 P 0.00 4.51 0.00 2.17 2.05 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 15 P 0.00 4.48 0.00 2.20 2.09 0.00 3.78 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 16 P 0.00 4.39 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00