NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3072 8.1133 120.8598 56.5983 32.3231 177.4817 2 M 3.8845 8.0414 117.4167 57.4513 31.8641 176.9297 3 K 4.1635 8.7231 121.9360 59.0315 32.9148 178.2735 4 Q 4.0041 8.0685 117.8534 59.0380 28.5735 178.9193 5 I 3.7047 7.6952 120.4064 64.4466 36.8469 178.1287 6 E 3.9493 8.3293 119.5629 59.7722 29.2259 179.3167 7 D 4.3637 8.7457 118.9919 57.0644 40.7594 178.7427 8 K 3.8980 7.9745 119.8939 59.5921 32.2141 178.8027 9 I 3.6769 7.9604 120.2345 64.4580 36.9641 178.0482 10 E 3.9550 8.3795 119.4839 59.6270 29.3630 179.3176 11 E 3.9511 8.3706 118.4529 59.4849 29.5032 179.5538 12 I 3.6998 8.0016 119.8793 64.5030 37.2160 178.2722 13 E 3.9701 8.5273 119.7812 59.5311 29.2725 179.4414 14 S 4.0808 8.3091 113.2511 61.2820 62.3694 176.1811 15 K 3.9624 8.1737 122.3866 59.4267 31.8425 178.6042 16 Q 3.9418 8.5438 120.4093 59.0519 28.8939 178.3815 17 K 4.2129 8.1152 120.8847 58.8733 32.0037 179.4669 18 K 3.9601 8.0500 118.7270 59.4785 31.8859 179.3918 19 I 3.6887 8.0081 120.2694 64.5323 37.1611 178.2936 20 E 3.9606 8.4915 119.6115 59.4400 29.2592 179.2274 21 N 4.4361 8.3920 116.5800 56.3063 38.5439 177.2073 22 E 3.9560 8.3986 120.1374 59.6834 29.5232 179.6017 23 I 3.6868 8.0956 119.7408 64.2016 37.1180 178.4106 24 A 3.9791 8.0584 121.7247 55.2212 18.2428 179.9109 25 R 3.8893 8.0343 116.5936 59.3719 30.1031 179.3665 26 I 3.7147 8.0504 119.8491 64.3484 37.0543 178.5838 27 K 3.9625 8.3040 119.5631 59.2645 31.8603 179.2335 28 K 3.8831 8.0803 119.7958 59.5366 32.1366 178.6449 29 L 3.9510 8.0216 120.5659 57.9317 41.9987 178.5266 30 L 3.9698 8.3849 120.8052 58.3812 41.9730 179.0341 31 Q 4.0592 8.4993 118.3117 58.8196 28.5196 178.5975 32 L 4.0413 8.1356 120.3854 58.1927 41.6838 179.7810 33 T 3.9465 8.1797 109.6532 64.6286 68.6547 176.6516 34 V 3.5804 8.0179 121.1581 65.5932 31.5034 177.6343 35 W 4.1909 8.5468 128.2145 60.5993 30.4554 178.1409 36 G 3.6767 8.7823 105.7817 47.8493 0.0000 175.7544 37 I 3.6741 7.9494 122.3722 63.9258 37.0837 178.3564 38 K 3.7559 8.0226 120.4966 59.4728 31.9801 178.6449 39 Q 3.5051 7.6669 119.8122 58.8382 28.7430 177.8474 40 L 3.8518 7.9367 120.4041 58.0833 41.6904 179.4511 41 Q 3.8949 8.2159 119.1425 59.0003 28.7181 177.9932 42 A 3.9427 7.8261 121.1359 55.3423 18.4865 179.6163 43 R 3.9980 7.6945 115.3021 58.8733 30.1399 179.1718 44 I 3.9105 7.2048 119.3099 64.1638 37.4415 176.4903 45 L 4.3011 8.0397 123.0622 54.9733 41.7128 176.7115 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 4.31 0.00 1.83 1.99 0.00 3.31 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 2 M 8.04 3.88 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.72 4.16 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.39 7.81 4 Q 8.07 4.00 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 I 7.70 3.70 1.99 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 0.79 0.91 0.00 0.00 6 E 8.33 3.95 0.00 2.20 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 2.33 2.41 0.00 7 D 8.75 4.36 0.00 2.82 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 7.97 3.90 0.00 1.90 2.04 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 I 7.96 3.68 2.02 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 0.63 0.91 0.00 0.00 10 E 8.38 3.96 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 2.33 2.51 0.00 11 E 8.37 3.95 0.00 2.19 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 2.64 0.00 12 I 8.00 3.70 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 0.73 0.91 0.00 0.00 13 E 8.53 3.97 0.00 2.13 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 2.43 0.00 14 S 8.31 4.08 0.00 3.95 4.01 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 15 K 8.17 3.96 0.00 2.10 1.78 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 16 Q 8.54 3.94 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 K 8.12 4.21 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 K 8.05 3.96 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 19 I 8.01 3.69 2.03 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 0.83 0.91 0.00 0.00 20 E 8.49 3.96 0.00 2.13 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 2.50 0.00 21 N 8.39 4.44 0.00 2.92 2.86 0.00 0.00 7.03 7.55 0.00 0.00 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 8.40 3.96 0.00 2.20 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 2.51 0.00 23 I 8.10 3.69 1.87 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 1.46 0.82 0.91 0.00 0.00 24 A 8.06 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.89 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 26 I 8.05 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 0.67 0.92 0.00 0.00 27 K 8.30 3.96 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 28 K 8.08 3.88 0.00 1.82 1.96 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 L 8.02 3.95 0.00 1.81 1.65 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.38 3.97 0.00 1.86 1.88 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.50 4.06 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 32 L 8.14 4.04 0.00 1.93 1.75 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.18 3.95 4.28 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 1.29 0.00 0.00 34 V 8.02 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 35 W 8.55 4.19 0.00 3.54 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.95 3.67 1.98 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 1.40 0.68 0.88 0.00 0.00 38 K 8.02 3.76 0.00 1.85 1.64 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.36 7.81 39 Q 7.67 3.51 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 1.91 2.18 0.00 40 L 7.94 3.85 0.00 1.81 1.66 0.91 0.57 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 41 Q 8.22 3.89 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.83 3.94 1.27 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 0.00 0.00 43 R 7.69 4.00 0.00 1.91 1.97 0.00 3.29 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 44 I 7.20 3.91 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.53 0.89 0.00 0.00 45 L 8.04 4.30 0.00 1.64 1.55 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00