NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2518 8.2649 123.5725 50.8036 19.9490 176.4007 2 P 3.9203 0.0000 0.0000 62.5004 31.5382 175.7541 3 S 4.1740 8.0831 117.5736 60.5094 64.1427 173.9781 4 Y 4.5635 6.7127 117.8889 55.5929 39.2533 174.8978 5 S 4.4518 8.4671 116.2391 57.3211 63.6377 172.9626 6 P 4.6065 0.0000 0.0000 61.6392 31.9460 174.4623 7 P 4.4615 0.0000 0.0000 61.7875 32.0099 174.6303 8 P 4.3753 0.0000 0.0000 61.9072 31.8940 174.6186 9 P 4.2947 0.0000 0.0000 62.4825 31.8583 174.7648 10 P 4.4252 0.0000 0.0000 63.1034 31.4218 176.1018 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 3.92 0.00 1.26 0.82 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 3 S 8.08 4.17 0.00 3.87 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 6.71 4.56 0.00 3.04 3.00 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 5 S 8.47 4.45 0.00 3.96 3.88 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 4.61 0.00 2.20 2.07 0.00 3.79 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 2.00 1.96 0.00 7 P 0.00 4.46 0.00 2.21 2.11 0.00 3.83 0.00 0.00 3.73 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 4.38 0.00 2.07 2.04 0.00 3.71 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 2.04 2.12 0.00 9 P 0.00 4.29 0.00 2.04 2.01 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 2.04 2.10 0.00 10 P 0.00 4.43 0.00 2.18 2.03 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