NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3337 8.1933 115.4110 56.9190 64.3896 172.9446 2 P 2.0000 0.0000 0.0000 63.0081 31.3135 175.5667 3 G 3.5494 6.2931 110.9141 45.4887 0.0000 174.1136 4 S 4.4763 7.4731 115.1844 57.5955 65.1372 175.0804 5 R 4.1794 8.7800 124.8266 60.5774 29.7958 179.1562 6 E 4.0483 8.2848 117.4859 60.8129 29.6676 180.4832 7 W 4.2399 8.3134 129.4526 60.3564 30.8053 178.0471 8 F 4.1931 8.7128 118.0345 60.4440 38.2563 177.4121 9 K 3.9146 8.4459 119.3303 59.8293 31.7807 178.5024 10 D 4.2874 8.0085 117.7164 57.7147 40.8028 178.5281 11 M 3.8914 7.7420 118.2927 57.6028 31.8980 178.0122 12 L 4.3187 7.7497 117.4927 55.3813 42.2728 177.3824 13 S 4.4883 7.6065 119.1006 58.4190 63.3620 173.6553 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 S 8.19 4.33 0.00 3.86 3.99 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 2.00 0.00 1.50 0.91 0.00 3.40 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 3 G 6.29 3.55 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 0.00 4 S 7.47 4.48 0.00 4.13 4.04 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 R 8.78 4.18 0.00 2.00 2.07 0.00 3.23 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 6 E 8.28 4.05 0.00 2.01 1.95 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 2.31 1.94 0.00 7 W 8.31 4.24 0.00 3.38 3.21 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 8 F 8.71 4.19 0.00 3.39 3.06 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 9 K 8.45 3.91 0.00 1.99 2.02 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 10 D 8.01 4.29 0.00 2.70 2.57 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 11 M 7.74 3.89 0.00 1.43 1.45 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.23 0.00 12 L 7.75 4.32 0.00 1.71 1.71 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.61 4.49 0.00 3.93 3.80 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