NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7453 8.3201 119.4060 56.4091 40.9506 177.0876 2 A 4.3683 8.3825 130.4762 51.6729 21.6728 175.2265 3 D 4.4697 8.9500 114.8653 55.4366 38.3171 173.4505 4 S 4.4753 7.4481 111.5777 57.5581 66.9118 173.4534 5 E 4.3685 7.7007 121.7405 56.6197 31.6938 175.6392 6 A 4.6791 7.4486 121.6237 50.6979 22.4733 174.6932 7 D 4.9762 8.4253 120.1743 52.4520 44.1385 175.1843 8 E 4.5196 8.5210 119.9332 55.7770 29.3406 176.5788 9 N 5.0019 8.4437 121.9123 52.8525 37.8996 175.0816 10 E 4.7785 8.1395 118.1846 55.2912 30.6830 175.2576 11 Q 4.6146 7.5224 127.4699 55.5595 29.1488 177.8351 12 V 4.5125 8.6053 112.0116 60.6185 34.1947 173.7661 13 S 4.8120 8.4304 118.4636 56.5585 66.0161 172.6560 14 A 4.7574 8.0984 122.2776 51.1273 22.0692 176.7164 15 V 4.0172 8.0396 117.8983 62.2170 31.1308 174.2817 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 F 8.32 4.75 0.00 3.09 2.87 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 2 A 8.38 4.37 1.32 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 3 D 8.95 4.47 0.00 2.87 2.79 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 7.45 4.48 0.00 3.77 3.65 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 E 7.70 4.37 0.00 1.95 1.86 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 2.21 2.28 0.00 6 A 7.45 4.68 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 7 D 8.43 4.98 0.00 2.64 2.61 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 E 8.52 4.52 0.00 1.95 1.91 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 2.25 2.22 0.00 9 N 8.44 5.00 0.00 2.77 2.82 0.00 0.00 6.08 7.66 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 10 E 8.14 4.78 0.00 1.93 1.90 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 2.19 2.25 0.00 11 Q 7.52 4.61 0.00 1.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 12 V 8.61 4.51 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 13 S 8.43 4.81 0.00 3.96 3.78 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 14 A 8.10 4.76 1.21 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 0.00 0.00 15 V 8.04 4.02 2.08 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 0.62 0.00 0.00 0.93 0.00 0.00