NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5865 8.1633 120.3258 54.9907 35.1006 177.9368 2 K 4.5313 7.9687 124.7243 54.4193 31.3681 175.9363 3 V 3.6897 8.8820 124.8825 63.1439 32.6314 173.9578 4 R 4.2353 7.3528 118.3838 56.5732 32.0243 174.3321 5 A 4.1660 8.5235 119.4345 52.4589 19.8412 177.2174 6 S 4.4358 7.6932 109.3634 56.0730 62.5954 171.3385 7 V 4.1027 7.9654 124.1273 60.9802 32.2738 175.1482 8 K 4.5797 7.8080 126.1330 54.9342 36.0774 175.3645 9 R 4.2586 8.4449 118.9388 56.1974 29.9119 176.5814 10 I 4.1933 8.4362 123.3573 60.0256 37.6842 175.3388 11 C 5.6655 8.1910 125.2277 58.7379 30.7642 175.0882 12 D 4.2735 8.3130 124.6975 56.3431 40.0970 178.2112 13 K 4.1721 8.1030 117.1837 57.5067 32.1311 176.2015 14 C 4.8805 8.3917 117.9203 59.4861 29.3440 173.3920 15 K 4.5216 9.3335 121.0493 54.7598 35.8827 176.0582 16 V 4.3687 8.6361 125.3462 62.6321 31.1210 175.3584 17 I 4.3753 8.5422 129.1407 59.6236 39.7469 176.1897 18 R 5.1448 8.2129 121.4058 54.9653 30.0273 175.1168 19 R 3.8935 7.9314 113.5029 57.2728 30.6125 175.7084 20 H 3.7860 9.1332 118.6787 57.5168 24.9090 175.4829 21 G 4.0512 8.0627 103.1167 46.2590 0.0000 172.6145 22 R 4.5181 7.9481 119.2178 54.0223 31.8626 175.3596 23 V 4.2199 8.4393 123.5987 63.3372 32.5122 174.6537 24 Y 4.8212 8.9859 126.0820 56.6939 41.2972 175.5676 25 V 4.7352 8.1460 120.0703 62.2482 34.4388 173.4733 26 I 4.8272 8.6082 129.0330 60.3755 40.3376 174.8011 27 C 4.7200 7.9797 122.3446 59.2732 33.7569 172.6118 28 E 4.0228 8.9090 118.7847 58.0668 29.6949 176.3556 29 N 4.6639 7.8183 117.3718 50.4348 37.4244 173.7965 30 P 4.2660 0.0000 0.0000 64.7359 31.9325 177.6932 31 K 4.1467 8.0667 118.9995 60.0374 32.1904 178.8392 32 H 4.2207 8.2290 114.1718 57.5633 28.3830 174.6887 33 K 4.0561 7.5844 120.2403 57.2246 32.4601 174.7724 34 Q 5.5819 10.0487 130.1934 55.1642 28.0412 174.7401 35 R 4.1156 8.1482 122.0934 55.4254 31.3746 173.4535 36 Q 4.3485 7.9862 128.1391 54.8697 29.0194 175.9148 37 G 3.7220 8.9873 112.8035 46.6050 0.0000 172.3196 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 M 8.16 4.59 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 K 7.97 4.53 0.00 1.80 0.94 0.00 1.82 0.00 0.00 1.16 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.44 7.81 3 V 8.88 3.69 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 0.82 0.00 0.00 0.88 0.00 0.00 4 R 7.35 4.24 0.00 1.97 1.99 0.00 2.82 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.00 5 A 8.52 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.69 4.44 0.00 3.77 3.73 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 0.00 0.00 0.00 0.00 7 V 7.97 4.10 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 0.92 0.00 0.00 0.89 0.00 0.00 8 K 7.81 4.58 0.00 1.78 1.67 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 9 R 8.44 4.26 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 10 I 8.44 4.19 1.30 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.42 0.78 0.00 0.00 11 C 8.19 5.67 0.00 3.23 3.22 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 0.00 12 D 8.31 4.27 0.00 2.83 2.82 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 0.00 0.00 0.00 13 K 8.10 4.17 0.00 1.84 1.89 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.47 7.81 14 C 8.39 4.88 0.00 2.88 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 15 K 9.33 4.52 0.00 1.63 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.37 7.81 16 V 8.64 4.37 2.10 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 0.80 0.00 0.00 0.95 0.00 0.00 17 I 8.54 4.38 1.92 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 1.30 0.87 0.88 0.00 0.00 18 R 8.21 5.14 0.00 1.75 1.85 0.00 3.08 0.00 0.00 2.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 19 R 7.93 3.89 0.00 1.89 1.80 0.00 2.74 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.15 0.00 20 H 9.13 3.79 0.00 3.41 3.49 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.06 4.05 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 0.00 0.00 0.00 22 R 7.95 4.52 0.00 2.38 2.05 0.00 3.46 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 23 V 8.44 4.22 2.11 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 1.05 0.00 0.00 0.97 0.00 0.00 24 Y 8.99 4.82 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.15 4.74 2.10 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 1.14 0.00 0.00 0.96 0.00 0.00 26 I 8.61 4.83 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.94 0.00 0.00 27 C 7.98 4.72 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.91 4.02 0.00 1.95 1.92 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 2.26 2.28 0.00 29 N 7.82 4.66 0.00 2.86 2.88 0.00 0.00 5.99 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.27 0.00 2.20 2.26 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 31 K 8.07 4.15 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.47 7.81 32 H 8.23 4.22 0.00 3.11 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.58 4.06 0.00 2.00 1.83 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.48 7.81 34 Q 10.05 5.58 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 35 R 8.15 4.12 0.00 1.38 1.67 0.00 2.76 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 36 Q 7.99 4.35 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 37 G 8.99 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00