NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3164 8.2393 117.2844 55.9778 30.3390 175.9148 5 P 4.4559 0.0000 0.0000 62.4018 30.2242 176.2922 6 L 3.9179 7.6451 120.6430 55.7811 43.1681 178.9885 7 Q 3.8978 7.7812 120.1200 58.9773 29.2867 177.5639 8 W 4.2873 7.9865 117.1075 59.3387 28.1651 177.6992 9 L 2.4400 5.9330 120.2529 57.2895 41.2137 178.5622 10 A 2.9511 7.4421 120.6384 54.9711 17.9865 179.4187 11 E 3.8855 7.5110 116.1853 59.3197 29.5854 179.5127 12 K 4.2068 7.7029 116.7836 59.8227 32.6264 178.4902 13 Y 4.1941 7.7514 115.7046 60.7038 38.0058 177.3134 14 F 4.6527 7.2557 117.7208 60.6665 39.6568 175.8287 15 Q 4.2513 8.2628 122.8672 56.1064 28.5704 175.6653 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 4 R 8.24 4.32 0.00 1.93 2.05 0.00 2.99 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 5 P 0.00 4.46 0.00 2.66 2.27 0.00 3.80 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 2.17 2.18 0.00 6 L 7.65 3.92 0.00 1.63 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.78 3.90 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 8 W 7.99 4.29 0.00 3.63 3.30 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 L 5.93 2.44 0.00 0.27 0.77 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.44 2.95 1.35 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 E 7.51 3.89 0.00 2.03 2.05 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 2.61 2.53 0.00 12 K 7.70 4.21 0.00 2.00 2.05 0.00 2.17 0.00 0.00 1.93 0.00 0.00 3.34 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.81 7.81 13 Y 7.75 4.19 0.00 2.09 2.75 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 F 7.26 4.65 0.00 3.09 3.03 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 Q 8.26 4.25 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00