NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0669 8.0249 120.7950 60.6235 39.3271 175.9990 2 L 4.2086 7.9971 120.4752 53.0392 40.3270 174.3232 3 A 4.9764 8.1581 130.8786 51.3681 21.5088 175.5945 4 W 4.3368 7.8760 135.0000 58.8684 31.5192 176.2619 5 K 4.4746 8.4186 117.1749 57.6737 32.2040 177.4977 6 W 4.4092 8.4768 127.7907 60.8901 31.0353 177.9305 7 A 4.3061 8.5733 120.8335 54.7485 17.7472 178.1339 8 W 4.7309 7.9774 122.6594 60.3008 31.1571 176.9960 9 W 3.0291 9.1169 129.3907 60.5546 30.3333 177.4925 10 A 4.2951 7.9811 120.2704 54.4981 17.8276 179.3652 11 W 4.1795 8.9143 116.0632 59.8856 28.4459 178.2708 12 R 2.0000 5.8608 117.2722 57.9750 29.2570 176.8957 13 R 3.6352 6.1865 120.2186 56.4466 30.1378 175.8715 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 I 8.02 4.07 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.97 0.00 0.00 2 L 8.00 4.21 0.00 1.81 1.71 0.97 0.59 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 3 A 8.16 4.98 1.33 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 W 7.88 4.34 0.00 3.54 3.19 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 K 8.42 4.47 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.55 7.81 6 W 8.48 4.41 0.00 3.57 3.16 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 A 8.57 4.31 1.41 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 8 W 7.98 4.73 0.00 3.65 3.42 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 W 9.12 3.03 0.00 3.54 3.40 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 10 A 7.98 4.30 1.55 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 11 W 8.91 4.18 0.00 3.38 3.26 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 12 R 5.86 2.00 0.00 0.67 0.96 0.00 2.81 0.00 0.00 2.57 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 13 R 6.19 3.64 0.00 1.27 1.65 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00