NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9194 8.3544 109.7337 44.7831 0.0000 171.5775 2 I 3.4850 7.3609 130.4718 59.9657 44.2164 172.4263 3 V 3.2336 6.8220 118.6455 65.1104 34.4989 177.2224 4 E 3.9245 8.2839 118.2876 59.8122 28.9747 177.7347 5 Q 4.3254 8.7100 117.6379 58.3132 29.1796 176.9492 6 C 4.6294 7.9836 117.9385 58.7833 40.7370 173.9859 7 C 4.5107 7.6825 115.9597 59.8150 29.7748 175.1636 8 T 4.1494 8.0589 115.7363 65.4704 68.6674 174.8667 9 S 4.7380 7.2272 114.2059 56.2012 65.3106 173.6558 10 I 4.2639 7.9781 114.8060 61.0072 38.2520 175.6599 11 C 5.0434 8.3198 117.6676 55.2895 39.2568 174.8789 12 S 4.6678 8.3148 118.4819 57.6644 64.9467 175.6296 13 L 3.9920 7.9604 122.3575 57.8710 41.4678 179.3136 14 Y 4.1619 7.3257 116.6053 61.1920 38.0968 177.8220 15 Q 4.1191 8.2748 119.4893 58.6524 29.2812 177.8419 16 L 4.4698 8.0213 120.0802 57.5888 41.5526 178.6700 17 E 4.0355 8.2655 118.9934 59.4547 29.1450 178.6678 18 N 4.4986 7.3089 111.4606 54.5961 38.0502 174.7751 19 Y 4.8710 7.8633 114.6135 57.6062 40.1155 176.6354 20 C 4.9859 8.0657 120.2773 59.6146 28.9250 173.5559 21 N 4.5935 8.5192 119.8905 54.6157 39.2253 174.0566 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 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.36 3.49 1.08 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.00 0.72 0.00 0.00 3 V 6.82 3.23 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 0.87 0.00 0.00 0.88 0.00 0.00 4 E 8.28 3.92 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 5 Q 8.71 4.33 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 6 C 7.98 4.63 0.00 2.90 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.51 0.00 3.04 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.15 4.39 0.00 0.00 0.00 0.00 0.00 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 9 S 7.23 4.74 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 4.26 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 0.92 0.00 0.00 11 C 8.32 5.04 0.00 3.01 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.67 0.00 4.12 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 0.00 13 L 7.96 3.99 0.00 0.99 1.50 0.66 0.74 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 14 Y 7.33 4.16 0.00 3.03 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 15 Q 8.27 4.12 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 16 L 8.02 4.47 0.00 2.03 1.81 1.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.27 4.04 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 18 N 7.31 4.50 0.00 2.38 2.40 0.00 0.00 6.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.86 4.87 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.07 4.99 0.00 3.07 2.86 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 0.00 0.00 0.00 21 N 8.52 4.59 0.00 2.65 2.65 0.00 0.00 6.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00