NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0155 8.2127 109.7425 45.0865 0.0000 176.6385 2 I 3.2061 8.1257 123.3223 62.2829 37.3715 172.4073 3 V 3.5669 8.3330 120.2014 65.8808 31.7854 177.3364 4 E 3.9937 8.0349 117.9811 59.1604 29.0418 178.8566 5 Q 3.9411 8.2614 119.6648 59.2948 29.1669 176.8890 6 C 5.0125 8.3584 116.0254 57.0524 40.6659 174.4919 7 C 4.2908 7.5636 118.5595 62.4206 28.5579 175.1116 8 T 4.0670 7.2567 112.6445 65.9983 68.4952 174.4333 9 S 4.7184 7.5206 114.5659 55.9849 66.0629 173.1417 10 I 4.1066 8.2801 122.6177 61.1174 38.5085 175.6456 11 C 5.0988 8.4695 124.3238 55.4200 41.9392 174.5246 12 S 4.5462 8.7602 119.2247 57.4937 65.2934 175.2598 13 L 3.8682 8.1021 122.3774 58.1927 41.4003 178.3792 14 Y 3.9257 7.1469 115.7530 61.0179 38.3636 177.7256 15 Q 4.1897 8.3664 119.0548 58.9141 28.8509 178.6576 16 L 4.2531 8.0901 120.1233 57.7725 41.7718 179.0570 17 E 4.0175 8.2077 119.0331 59.0582 29.1831 178.5205 18 N 4.2389 7.7458 115.7082 56.2632 38.8122 175.8246 19 Y 4.5513 7.7277 115.6840 57.5966 38.0648 175.3759 20 C 4.5322 7.3924 118.2528 58.9376 29.2889 173.5244 21 N 4.5483 8.5059 117.0116 53.8383 38.2058 175.5212 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 8.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.21 0.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.24 0.62 0.00 0.00 3 V 8.33 3.57 2.04 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 0.99 0.00 0.00 0.86 0.00 0.00 4 E 8.03 3.99 0.00 2.03 1.98 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 2.50 2.31 0.00 5 Q 8.26 3.94 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 8.36 5.01 0.00 3.01 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.29 0.00 3.14 2.96 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 8 T 7.26 4.07 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 9 S 7.52 4.72 0.00 3.79 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.11 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 1.43 0.83 0.92 0.00 0.00 11 C 8.47 5.10 0.00 3.03 3.05 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 0.00 0.00 0.00 12 S 8.76 4.55 0.00 4.28 4.13 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 13 L 8.10 3.87 0.00 1.52 1.20 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.15 3.93 0.00 3.14 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 15 Q 8.37 4.19 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 16 L 8.09 4.25 0.00 1.86 1.76 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.21 4.02 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 18 N 7.75 4.24 0.00 2.64 2.37 0.00 0.00 7.00 6.76 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 19 Y 7.73 4.55 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.53 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.51 4.55 0.00 2.72 2.74 0.00 0.00 6.74 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