NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9825 8.2127 109.7431 45.0997 0.0000 174.1429 2 I 3.5211 8.0610 119.1101 62.5022 37.4730 172.6263 3 V 3.5263 8.4060 120.1140 66.0730 31.7059 177.3627 4 E 3.9694 8.0494 116.6214 59.3215 29.4001 178.8884 5 Q 4.2024 8.0622 117.5450 58.2744 29.0739 176.8428 6 C 5.0524 8.2589 115.5003 56.1272 41.6838 174.2968 7 C 4.2278 8.2683 117.6788 60.2452 28.5799 174.6327 8 T 4.2791 7.7861 109.2380 63.1820 69.0930 174.7672 9 S 4.6341 7.4008 114.1525 56.5941 65.6964 173.3012 10 I 3.9905 8.1840 122.7124 61.5470 37.4608 176.3029 11 C 4.9758 8.4966 122.4931 55.3167 40.6145 174.5718 12 S 4.4541 9.2750 120.0762 57.8925 64.8197 175.4187 13 L 3.9428 8.2529 121.9124 58.1758 40.9995 179.4310 14 Y 4.2917 7.4397 115.3408 61.2182 38.0411 178.1546 15 Q 4.2171 8.2194 118.9262 59.1118 28.7951 178.9743 16 L 4.3439 8.1308 119.8358 57.5764 41.6057 178.9920 17 E 4.0215 8.3290 119.1477 58.7698 29.2818 178.2649 18 N 4.3645 7.8393 115.4744 55.6519 38.5420 175.5769 19 Y 4.4790 7.9642 117.0858 57.2105 38.4319 175.4144 20 C 4.4508 7.2212 118.1858 59.4277 28.9862 173.5240 21 N 4.5436 8.5986 118.0100 53.8016 38.1192 175.2850 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 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 2 I 8.06 3.52 1.18 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.71 0.00 0.00 3 V 8.41 3.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.88 0.00 0.00 4 E 8.05 3.97 0.00 2.11 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 2.32 2.46 0.00 5 Q 8.06 4.20 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 6 C 8.26 5.05 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.23 0.00 3.06 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 7.79 4.28 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 1.21 0.00 0.00 9 S 7.40 4.63 0.00 3.98 3.95 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 0.00 0.00 0.00 10 I 8.18 3.99 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.91 0.00 0.00 11 C 8.50 4.98 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 9.28 4.45 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.94 0.00 1.32 1.59 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.44 4.29 0.00 2.99 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 15 Q 8.22 4.22 0.00 2.37 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 2.44 2.49 0.00 16 L 8.13 4.34 0.00 1.89 1.80 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.33 4.02 0.00 2.29 2.13 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 2.35 2.40 0.00 18 N 7.84 4.36 0.00 2.53 2.56 0.00 0.00 6.94 8.53 0.00 0.00 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 7.96 4.48 0.00 3.12 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 20 C 7.22 4.45 0.00 3.07 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 8.60 4.54 0.00 2.73 2.75 0.00 0.00 6.80 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