NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2752 8.1127 120.8599 56.6364 32.2882 177.3705 2 M 3.8689 7.9515 116.9000 57.5276 32.2038 176.2994 3 K 3.8880 8.2211 119.5780 59.5691 32.7604 177.8437 4 Q 3.9446 8.0233 119.2730 59.2889 28.9589 178.2324 5 I 3.7471 7.6773 120.3787 64.3433 37.1586 178.2373 6 E 3.9613 8.5407 119.8689 59.6095 29.3150 179.2427 7 D 4.3779 8.3414 119.0513 57.0706 40.7703 178.7068 8 K 3.9549 8.2274 120.2690 59.5301 32.2261 178.8481 9 L 3.9701 8.2279 119.5539 57.7723 41.5008 179.1830 10 E 4.0048 8.3436 119.3720 58.9984 29.5261 178.3775 11 E 3.9323 8.2579 119.4431 59.4576 29.7162 178.9825 12 I 3.7106 8.0708 120.0247 64.1617 37.0520 178.0392 13 L 3.9285 8.3288 120.3865 58.0984 41.5098 179.5023 14 S 4.1239 8.1376 112.3960 61.5660 62.3842 176.3807 15 K 4.1005 8.3004 121.2144 59.4573 31.7064 179.6368 16 G 3.6210 8.5978 106.4042 48.1148 0.0000 175.4518 17 H 4.1745 8.5161 118.9689 58.8240 28.6255 177.4180 18 H 4.1878 8.5121 120.0917 59.2746 29.6540 177.3075 19 I 3.6114 8.2581 121.9678 64.7094 36.9427 178.1739 20 C 4.1096 8.3078 117.5957 62.9095 27.9003 175.9254 21 N 4.3383 8.3887 118.1414 56.3304 38.0179 177.2973 22 E 3.9228 8.3077 120.0466 59.4438 29.4748 179.4268 23 L 3.9606 8.1878 118.9727 57.6903 41.6251 179.4842 24 A 3.9664 8.2112 120.8874 54.8871 18.2777 179.5837 25 R 3.8085 8.1330 117.3041 59.7687 30.1751 178.6692 26 I 3.6808 8.0027 119.8472 64.3694 36.8648 178.2957 27 K 3.9096 8.1215 119.5705 59.2037 32.3921 178.4470 28 K 4.0489 8.1701 119.8580 59.6093 32.1779 178.5489 29 L 4.1491 7.9775 119.1433 58.0994 41.3975 179.6618 30 L 4.2391 8.0351 117.1829 56.8584 41.6538 178.8313 31 G 3.8422 7.6263 103.4819 45.5534 0.0000 174.6639 32 E 4.2478 7.8071 120.7649 58.3706 30.1453 176.7397 33 R 4.1544 7.6393 117.9897 56.8177 28.8364 174.1877 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 R 8.11 4.28 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.95 3.87 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.71 0.00 3 K 8.22 3.89 0.00 1.95 1.79 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.07 7.81 4 Q 8.02 3.94 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 5 I 7.68 3.75 2.01 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 1.52 0.52 0.91 0.00 0.00 6 E 8.54 3.96 0.00 2.12 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 2.33 2.48 0.00 7 D 8.34 4.38 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.95 0.00 1.97 1.94 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 L 8.23 3.97 0.00 1.89 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.34 4.00 0.00 2.10 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 0.00 2.31 2.36 0.00 11 E 8.26 3.93 0.00 2.09 2.09 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 2.31 2.36 0.00 12 I 8.07 3.71 2.00 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 1.52 0.53 0.91 0.00 0.00 13 L 8.33 3.93 0.00 1.82 1.79 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.12 0.00 4.07 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.30 4.10 0.00 2.11 1.87 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.33 7.81 16 G 8.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.52 4.17 0.00 3.34 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.51 4.19 0.00 3.25 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.26 3.61 2.01 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 1.51 0.59 0.89 0.00 0.00 20 C 8.31 4.11 0.00 3.13 2.98 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 21 N 8.39 4.34 0.00 2.88 2.87 0.00 0.00 7.03 7.28 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 22 E 8.31 3.92 0.00 2.05 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 2.25 2.30 0.00 23 L 8.19 3.96 0.00 1.81 1.70 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.21 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.81 0.00 1.99 2.12 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 8.00 3.68 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.91 0.00 0.00 27 K 8.12 3.91 0.00 1.80 2.00 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 28 K 8.17 4.05 0.00 1.86 1.96 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 29 L 7.98 4.15 0.00 1.85 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.04 4.24 0.00 1.61 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.63 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.81 4.25 0.00 2.14 2.01 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 2.32 2.43 0.00 33 R 7.64 4.15 0.00 1.85 1.82 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00