NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4132 8.1593 110.9457 61.1543 70.0751 173.0338 2 P 4.5143 0.0000 0.0000 63.2544 31.8301 176.0767 3 Y 3.9226 7.9426 117.4997 60.7494 39.5288 176.3365 4 P 4.5339 0.0000 0.0000 62.5586 31.9354 175.5256 5 V 4.2464 7.5761 120.6216 62.1425 31.8750 174.8030 6 N 5.4873 8.6437 125.8137 52.4255 39.5227 172.6315 7 C 4.8321 7.6871 113.2698 55.9825 45.0542 174.1800 8 K 4.0963 8.9973 116.6574 57.5519 33.6987 176.5703 9 T 4.5826 7.4867 107.1843 59.3803 71.1224 174.1866 10 D 5.0703 8.4232 118.9659 57.4894 41.2283 178.0146 11 R 4.2809 7.8569 115.1384 57.2473 30.1511 178.1846 12 D 4.3585 7.6378 119.2015 56.7490 41.2229 176.0295 13 C 4.7922 7.9310 119.1592 56.1811 42.1259 175.4523 14 V 4.3826 7.3853 120.6897 63.8297 30.8104 178.1521 15 M 4.0335 8.0892 118.8613 58.2161 32.1356 178.1302 16 C 4.3909 8.7448 118.5670 58.6249 40.3780 172.9179 17 G 3.9446 7.2763 105.1398 45.6592 0.0000 172.3038 18 L 4.6236 8.3783 118.2126 52.2982 40.0942 175.8582 19 G 3.9822 8.4120 108.8608 46.5146 0.0000 168.7849 20 I 4.5279 7.5415 124.0015 59.4506 40.4785 174.9150 21 S 4.7903 8.6094 122.8413 58.3838 63.8902 173.4264 22 C 5.2071 8.7882 125.5335 55.3062 41.1095 173.3196 23 K 4.3673 8.8775 128.1233 55.9254 34.8097 175.0704 24 N 4.5949 8.5582 112.5448 54.6175 36.9804 175.8442 25 G 3.9621 8.6204 104.8175 45.6787 0.0000 170.6877 26 Y 5.1611 7.2517 116.8887 56.7306 42.0915 172.7818 27 C 4.9162 8.6630 120.4626 56.2261 44.7756 173.5293 28 Q 4.0850 8.7012 126.4065 56.7057 28.8786 176.7874 29 G 4.2759 7.2994 105.3187 45.2555 0.0000 172.2206 30 C 5.0682 8.4199 133.2731 54.7561 40.7781 174.1808 31 T 4.1697 8.5913 108.8939 61.5175 68.6479 174.2144 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 T 8.16 4.41 4.37 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 1.23 0.00 0.00 2 P 0.00 4.51 0.00 2.41 2.20 0.00 3.85 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 1.97 2.13 0.00 3 Y 7.94 3.92 0.00 2.92 2.99 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 4 P 0.00 4.53 0.00 2.20 2.16 0.00 4.00 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 1.97 1.97 0.00 5 V 7.58 4.25 2.14 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 1.03 0.00 0.00 0.96 0.00 0.00 6 N 8.64 5.49 0.00 2.72 3.01 0.00 0.00 6.33 7.76 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 C 7.69 4.83 0.00 3.01 3.18 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 K 9.00 4.10 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.36 7.81 9 T 7.49 4.58 4.23 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 1.20 0.00 0.00 10 D 8.42 5.07 0.00 2.77 2.70 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 R 7.86 4.28 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 12 D 7.64 4.36 0.00 2.81 2.72 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 13 C 7.93 4.79 0.00 2.91 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 14 V 7.39 4.38 2.31 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 0.87 0.00 0.00 0.94 0.00 0.00 15 M 8.09 4.03 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 16 C 8.74 4.39 0.00 2.94 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 17 G 7.28 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.38 4.62 0.00 1.65 1.64 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.41 3.98 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 20 I 7.54 4.53 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 0.96 0.00 0.00 21 S 8.61 4.79 0.00 3.78 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 22 C 8.79 5.21 0.00 3.13 2.97 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 23 K 8.88 4.37 0.00 1.94 1.96 0.00 1.41 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.61 1.46 7.81 24 N 8.56 4.59 0.00 2.70 2.86 0.00 0.00 6.88 7.97 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 25 G 8.62 3.96 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 26 Y 7.25 5.16 0.00 2.94 2.74 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 27 C 8.66 4.92 0.00 3.23 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 28 Q 8.70 4.08 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 29 G 7.30 4.28 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 30 C 8.42 5.07 0.00 3.13 2.52 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 31 T 8.59 4.17 4.25 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 1.22 0.00 0.00