NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4336 8.1627 120.3507 55.7152 33.9191 177.4284 2 D 4.4827 7.9097 117.3148 55.0108 41.2354 176.4329 3 K 4.0375 8.1621 119.4293 59.6100 33.4575 178.6816 4 V 3.8245 7.6313 118.8296 65.4418 31.5124 177.4388 5 Q 4.2317 8.6667 117.2922 57.7102 28.6691 177.6042 6 Y 3.9571 7.6516 121.1121 60.5409 39.0209 177.3750 7 L 4.3124 7.7385 119.9261 57.5207 41.8963 179.4875 8 T 3.9081 7.8551 115.2942 66.5633 68.1547 176.6600 9 R 3.9561 7.8121 121.0885 59.1981 30.0478 178.6025 10 S 3.5325 7.9780 113.6328 60.8934 62.5255 176.3927 11 A 4.0226 7.4703 124.0678 55.1915 18.5558 179.2973 12 I 3.8106 7.3714 110.5378 63.9392 37.9324 178.0362 13 R 3.8442 8.8906 121.7383 59.5554 29.6098 178.7278 14 R 4.0265 7.9222 116.0844 58.1840 30.0444 177.7868 15 A 4.7017 7.5326 118.4911 51.6057 19.2427 176.8286 16 S 4.5776 7.6494 110.8311 58.9571 63.9970 174.5029 17 T 4.7992 7.8197 109.4837 61.1174 66.7160 171.8714 18 I 4.3302 7.2159 122.4476 63.3241 40.3007 177.9087 19 E 4.0307 7.9784 119.3112 59.2309 29.8686 177.0661 20 M 4.3894 7.5668 117.7983 53.4910 33.5782 173.9295 21 P 4.4439 0.0000 0.0000 62.5137 32.3901 176.1085 22 Q 4.5924 7.7561 112.3733 55.9692 30.7398 174.0454 23 Q 4.1358 8.0964 121.9509 54.4205 29.5855 173.2303 24 A 3.8069 7.9678 124.1292 51.1315 17.8780 177.4571 25 C 4.4267 7.8318 114.4665 57.5099 29.8330 174.3793 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 M 8.16 4.43 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 2 D 7.91 4.48 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.04 0.00 1.94 2.00 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.42 7.81 4 V 7.63 3.82 2.10 0.00 0.00 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 0.94 0.00 0.00 5 Q 8.67 4.23 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 6 Y 7.65 3.96 0.00 3.27 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 4.31 0.00 1.89 1.76 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.86 3.91 4.33 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 1.21 0.00 0.00 9 R 7.81 3.96 0.00 1.97 1.77 0.00 3.01 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 10 S 7.98 3.53 0.00 4.04 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 11 A 7.47 4.02 1.40 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 0.00 0.00 12 I 7.37 3.81 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.90 0.00 0.00 13 R 8.89 3.84 0.00 1.81 1.90 0.00 3.02 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 14 R 7.92 4.03 0.00 2.08 1.97 0.00 3.36 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 15 A 7.53 4.70 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.65 4.58 0.00 3.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.80 4.32 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 1.27 0.00 0.00 18 I 7.22 4.33 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.91 0.00 0.00 19 E 7.98 4.03 0.00 1.95 1.99 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 2.31 2.23 0.00 20 M 7.57 4.39 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 21 P 0.00 4.44 0.00 2.21 2.04 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 22 Q 7.76 4.59 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.11 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 23 Q 8.10 4.14 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.20 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 24 A 7.97 3.81 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.83 4.43 0.00 3.05 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