NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8869 8.2133 109.7253 45.2572 0.0000 175.2732 2 I 3.6639 7.0203 120.7743 61.0490 37.9762 171.8030 3 V 4.1280 7.6035 119.5235 62.5277 32.5740 174.3277 4 E 4.8129 7.8911 122.0180 56.8061 36.9866 177.5063 5 Q 4.0603 8.1876 118.5696 58.3170 29.1757 175.8237 6 C 5.3834 7.9234 111.4645 56.0441 42.2999 174.1818 7 C 4.0170 8.0215 118.5950 60.8191 31.4412 173.6685 8 T 4.5099 7.1655 107.8927 60.5596 68.9330 174.0210 9 S 4.6152 7.5760 113.9009 57.8684 64.8828 176.5058 10 I 3.8858 8.6042 125.9147 62.0593 37.4776 175.6141 11 C 5.1557 8.3573 119.2197 55.3015 38.2469 173.7059 12 S 4.6657 7.8441 114.7781 56.9848 66.0815 175.1479 13 L 3.8989 7.6306 123.6451 58.2886 41.4903 178.6046 14 Y 4.3037 6.6695 115.6990 61.3197 38.1531 178.0149 15 Q 4.0590 8.0334 118.4412 58.8931 28.7507 178.6032 16 L 4.2591 7.8856 119.5151 57.3274 41.6316 178.8638 17 E 4.0634 8.1002 119.2624 58.6842 29.3444 178.1567 18 N 4.4026 7.4577 115.2007 55.3992 38.5960 175.7084 19 Y 4.7137 6.9532 116.4306 57.2335 38.5267 175.2699 20 C 4.4032 7.1766 120.7747 58.8922 32.4422 173.1161 21 N 4.5603 8.6095 120.0983 53.7016 38.1000 175.1968 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 3.89 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 0.00 0.00 0.00 2 I 7.02 3.66 1.62 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.28 0.81 0.00 0.00 3 V 7.60 4.13 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 0.69 0.00 0.00 0.87 0.00 0.00 4 E 7.89 4.81 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 5 Q 8.19 4.06 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 6 C 7.92 5.38 0.00 3.11 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 8.02 4.02 0.00 2.88 3.01 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 0.00 0.00 0.00 8 T 7.17 4.51 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 S 7.58 4.62 0.00 3.98 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 10 I 8.60 3.89 1.86 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 1.40 0.40 0.89 0.00 0.00 11 C 8.36 5.16 0.00 2.93 3.02 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 12 S 7.84 4.67 0.00 3.70 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.63 3.90 0.00 1.49 1.27 0.88 0.89 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 14 Y 6.67 4.30 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.06 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 L 7.89 4.26 0.00 1.86 1.78 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.10 4.06 0.00 2.26 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 0.00 2.31 2.37 0.00 18 N 7.46 4.40 0.00 2.26 2.58 0.00 0.00 6.78 8.73 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 19 Y 6.95 4.71 0.00 3.10 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 20 C 7.18 4.40 0.00 3.10 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 21 N 8.61 4.56 0.00 2.75 2.74 0.00 0.00 6.82 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00