NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1348 8.1600 109.1393 45.1950 0.0000 174.1718 2 I 3.3478 8.0098 119.1247 62.3546 37.5794 172.5824 3 V 3.4829 8.3746 119.9646 66.1625 31.8258 177.2471 4 E 3.9749 8.1244 117.7894 59.4070 28.8011 179.1118 5 Q 4.0140 8.2810 119.5505 58.6989 29.0805 176.4565 6 C 5.0033 8.4881 115.4592 56.3720 41.0460 174.4481 7 C 4.4424 8.0964 117.6978 59.7812 28.6470 174.0606 8 T 4.4105 7.7717 110.1923 62.2408 69.9230 174.7805 9 S 4.6723 7.3870 111.7849 56.1087 66.1784 173.1782 10 I 3.9555 8.2635 122.9980 61.5819 37.3176 176.3936 11 C 4.9055 8.5762 123.3128 55.7371 39.3623 174.4472 12 S 4.5663 9.2772 119.8925 57.6106 65.3786 175.4959 13 L 4.0065 8.2988 120.9697 57.8621 40.9575 179.4000 14 Y 4.0349 7.7463 115.7954 61.1971 38.1060 177.9905 15 Q 4.2169 8.1864 118.5513 58.9629 28.7280 178.8078 16 L 4.3320 8.1359 120.0955 57.5666 41.6496 178.9778 17 E 3.9474 8.2099 118.9746 59.0485 29.2246 178.4121 18 N 4.2490 7.7716 115.7682 55.9997 38.6727 175.7187 19 Y 4.4747 7.9822 116.2125 57.3323 38.2077 175.3362 20 C 4.4910 7.4323 118.4044 59.2865 29.1414 173.5115 21 N 4.5472 8.5082 117.1133 53.7936 38.2566 175.5337 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 8.16 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 0.00 0.00 0.00 2 I 8.01 3.35 1.01 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.92 0.70 0.00 0.00 3 V 8.37 3.48 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.12 3.97 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 5 Q 8.28 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 6 C 8.49 5.00 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.44 0.00 3.07 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 8 T 7.77 4.41 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 1.25 0.00 0.00 9 S 7.39 4.67 0.00 4.03 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 8.26 3.96 1.89 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 1.42 0.54 0.93 0.00 0.00 11 C 8.58 4.91 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 4.57 0.00 4.15 4.11 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 13 L 8.30 4.01 0.00 1.38 1.56 0.83 0.76 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 14 Y 7.75 4.03 0.00 3.00 3.04 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 15 Q 8.19 4.22 0.00 2.35 2.25 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 8.14 4.33 0.00 1.90 1.79 0.92 0.88 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 8.21 3.95 0.00 2.21 2.07 0.00 0.00 0.00 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 2.35 0.00 18 N 7.77 4.25 0.00 2.71 2.30 0.00 0.00 6.97 8.75 0.00 0.00 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 7.98 4.47 0.00 3.13 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 20 C 7.43 4.49 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 8.51 4.55 0.00 2.70 2.73 0.00 0.00 6.75 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