NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4504 0.0000 0.0000 62.9051 31.4826 175.4556 2 C 4.5136 8.3323 122.8571 54.8029 40.8206 171.7376 3 P 4.5236 0.0000 0.0000 61.6687 32.4567 175.6467 4 P 4.3828 0.0000 0.0000 65.2641 31.6704 178.6330 5 V 3.7588 7.8107 119.5786 64.7407 31.4691 178.6558 6 C 4.7520 8.1443 119.9885 58.8359 43.2188 175.1797 7 V 3.3828 7.2687 118.2733 65.4399 30.9699 176.3780 8 A 4.5170 7.6904 119.0491 52.6815 20.2345 177.2536 9 Q 4.2989 7.7324 114.7095 54.6454 30.0796 171.6886 10 C 4.3709 8.4157 119.8347 55.2248 43.2634 173.4540 11 V 4.3387 7.6326 119.9971 58.5304 33.5092 175.6558 12 P 4.3062 0.0000 0.0000 65.9552 31.2063 178.5901 13 T 3.9456 7.8665 113.7298 65.7396 68.6383 174.9019 14 C 4.6006 7.6447 120.9644 54.2689 42.4029 171.5168 15 P 4.2045 0.0000 0.0000 62.4987 31.7460 177.4478 16 Q 3.9017 8.3044 122.3084 59.0964 29.2977 177.7148 17 Y 4.2579 8.0038 114.6998 59.9443 37.7323 177.5552 18 C 4.6213 7.0446 115.7054 56.8477 40.4020 172.7979 19 C 4.5762 7.7981 119.0905 55.9573 40.5829 173.1758 20 P 4.4097 0.0000 0.0000 62.5240 32.5274 175.7273 21 A 4.7477 8.2128 113.1567 50.4940 18.7226 178.5850 22 K 4.1984 7.5857 121.2920 55.5144 33.2319 170.3494 23 R 3.6520 8.2944 128.3587 55.5723 28.9836 176.2852 24 K 4.1827 8.4782 123.1291 56.4666 32.2963 176.7832 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 P 0.00 4.45 0.00 2.25 2.23 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 2 C 8.33 4.51 0.00 3.10 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 3 P 0.00 4.52 0.00 2.16 1.96 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 4 P 0.00 4.38 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 5 V 7.81 3.76 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 0.93 0.00 0.00 0.92 0.00 0.00 6 C 8.14 4.75 0.00 2.98 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.27 3.38 2.25 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 0.96 0.00 0.00 1.00 0.00 0.00 8 A 7.69 4.52 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.73 4.30 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 10 C 8.42 4.37 0.00 2.94 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 11 V 7.63 4.34 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 0.80 0.00 0.00 0.97 0.00 0.00 12 P 0.00 4.31 0.00 2.02 2.10 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 13 T 7.87 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14 C 7.64 4.60 0.00 2.89 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 15 P 0.00 4.20 0.00 0.97 1.03 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 16 Q 8.30 3.90 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 17 Y 8.00 4.26 0.00 3.04 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 18 C 7.04 4.62 0.00 2.90 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 19 C 7.80 4.58 0.00 3.07 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 20 P 0.00 4.41 0.00 2.17 2.12 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 21 A 8.21 4.75 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.59 4.20 0.00 1.66 1.68 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.48 7.81 23 R 8.29 3.65 0.00 2.01 2.09 0.00 3.66 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 24 K 8.48 4.18 0.00 1.75 1.68 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.46 7.81