NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8904 8.3544 109.7227 44.9580 0.0000 173.6852 2 I 3.9412 7.2606 119.8113 61.8519 39.7830 172.1928 3 V 3.5861 7.6127 112.7061 63.2001 32.0329 177.2655 4 E 3.8066 7.5760 119.2812 59.6017 29.1802 178.1806 5 Q 4.2403 7.9112 116.9295 57.7015 29.6383 177.3383 6 C 4.2455 8.1605 116.5530 60.6185 40.5708 175.9084 7 C 4.0536 8.4370 118.4060 62.6271 31.2063 175.4448 8 T 4.4864 7.3864 108.7417 61.1603 69.5795 175.1079 9 S 4.7573 6.7808 115.9899 59.9729 68.4240 175.4981 10 I 4.7296 8.2892 111.5886 59.6498 40.7017 175.1920 11 C 5.2980 8.7112 123.3079 55.9374 40.6173 172.7744 12 S 4.8676 8.3053 115.8882 56.6728 64.9698 174.9843 13 L 3.7045 8.7321 123.4402 58.4380 41.0114 179.3012 14 Y 3.8272 7.9228 118.4814 60.3123 38.9771 177.0986 15 Q 4.2336 8.8952 119.4883 58.5585 28.9808 177.6000 16 L 2.0000 7.3751 119.7937 56.2502 40.5799 178.2839 17 E 3.7856 7.0798 118.3031 58.4526 28.7611 177.4359 18 N 4.5854 7.4853 116.3023 54.5489 39.0432 176.0213 19 Y 4.5152 7.8227 117.3371 61.0807 38.2913 176.1040 20 C 3.9872 7.0415 117.4136 60.2164 28.9926 173.8173 21 N 4.6210 8.5285 118.0433 53.5733 38.8548 174.5314 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 3.89 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 7.26 3.94 1.66 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 0.74 1.10 0.22 0.00 0.00 3 V 7.61 3.59 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.84 0.00 0.00 4 E 7.58 3.81 0.00 2.01 1.94 0.00 0.00 0.00 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 2.38 0.00 5 Q 7.91 4.24 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 6 C 8.16 4.25 0.00 3.09 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.05 0.00 2.98 2.95 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 8 T 7.39 4.49 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 6.78 4.76 0.00 3.96 3.75 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 0.00 0.00 0.00 0.00 10 I 8.29 4.73 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 1.43 0.80 0.93 0.00 0.00 11 C 8.71 5.30 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 4.87 0.00 4.00 3.93 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 13 L 8.73 3.70 0.00 1.68 1.78 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.92 3.83 0.00 3.00 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 15 Q 8.90 4.23 0.00 2.35 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 16 L 7.38 2.00 0.00 1.36 1.43 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.08 3.79 0.00 1.83 1.74 0.00 0.00 0.00 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 2.26 0.00 18 N 7.49 4.59 0.00 2.68 2.90 0.00 0.00 7.07 8.10 0.00 0.00 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 7.82 4.52 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.04 3.99 0.00 3.14 2.91 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 21 N 8.53 4.62 0.00 2.65 2.67 0.00 0.00 6.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00