NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2485 8.2649 123.5715 50.8601 19.9579 176.2836 2 P 3.9628 0.0000 0.0000 62.3557 31.5270 175.7510 3 S 4.2168 7.9831 116.9292 60.5380 64.1928 174.2143 4 Y 4.4951 6.9585 117.7311 55.8139 38.9273 174.8206 5 S 4.3913 8.4623 115.0618 57.2037 63.1547 171.9196 6 P 4.7198 0.0000 0.0000 61.2317 32.1996 174.2583 7 P 4.4240 0.0000 0.0000 62.0515 31.8506 174.6914 8 P 4.4887 0.0000 0.0000 61.5137 32.0222 174.6843 9 P 4.3705 0.0000 0.0000 62.0639 31.8859 174.9847 10 P 4.4201 0.0000 0.0000 63.1378 31.2955 176.1671 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 A 8.26 4.25 1.20 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 0.00 0.00 2 P 0.00 3.96 0.00 1.31 0.64 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 3 S 7.98 4.22 0.00 3.85 3.91 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 Y 6.96 4.50 0.00 3.01 2.96 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 5 S 8.46 4.39 0.00 3.91 3.87 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 P 0.00 4.72 0.00 2.25 2.06 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 7 P 0.00 4.42 0.00 2.21 2.11 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 8 P 0.00 4.49 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.67 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 9 P 0.00 4.37 0.00 2.04 1.99 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 2.03 2.09 0.00 10 P 0.00 4.42 0.00 2.18 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00