NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3228 8.3044 120.3498 54.5944 33.3764 174.5721 2 K 3.7336 8.5120 123.3273 56.3436 32.1702 175.1604 3 R 4.5372 8.1459 125.8052 54.9454 32.6861 176.1980 4 T 3.9990 8.3420 108.4554 63.2197 69.2418 174.4156 5 F 4.6404 8.0830 124.2696 56.7918 39.0309 174.5738 6 Q 4.1728 7.9823 127.6266 53.2365 30.0597 174.2132 7 P 3.9364 0.0000 0.0000 62.1391 32.4422 177.1426 8 S 4.3165 7.9678 110.9840 56.6945 64.6250 176.7446 9 V 3.8574 8.1834 131.3766 64.5272 31.1766 177.8762 10 L 3.9603 7.8766 120.7548 58.0915 42.0005 178.9361 11 K 4.0586 7.9848 118.4170 58.9970 32.0308 179.5702 12 R 4.0241 8.5231 117.1371 59.5323 29.4501 178.7191 13 N 4.5132 8.4032 116.9117 55.5375 38.3302 177.5328 14 R 4.0750 7.5129 119.0749 58.5554 30.2999 178.4166 15 S 4.4382 7.8607 114.1176 60.3093 63.3351 174.8043 16 H 4.9613 7.9812 117.3730 54.5866 30.1324 174.4612 17 G 4.3059 8.0155 107.1647 43.2314 0.0000 174.2751 18 F 4.1524 8.7470 121.6405 61.4291 39.0708 177.4149 19 R 3.7677 7.9895 116.0144 59.0055 30.3246 178.3799 20 A 4.0679 7.8464 120.1892 54.9075 18.3505 179.3152 21 R 3.7722 8.0571 117.4584 59.8211 30.0066 177.9749 22 M 4.0690 7.8315 113.8369 56.3827 32.0782 175.8901 23 A 4.5952 7.5109 119.2899 52.7193 20.3564 176.3946 24 T 4.6082 7.4282 110.2687 59.1925 70.5753 174.3515 25 K 3.9712 8.6881 128.7742 59.7549 32.1888 178.0714 26 N 4.6037 8.0660 115.7713 55.5834 39.0918 177.3437 27 G 3.9168 7.9364 107.9434 47.3219 0.0000 175.5116 28 R 3.9015 8.0331 120.1983 59.2003 30.0041 179.1043 29 Q 3.9523 7.6612 116.3683 58.7724 28.6821 178.7155 30 V 3.5783 7.9576 119.6750 66.4671 31.3951 178.2418 31 L 4.0569 8.0022 117.9852 57.4135 41.4002 179.0665 32 A 3.9983 8.1435 121.1705 55.5383 18.2313 179.5381 33 R 3.8222 8.1903 116.0118 59.6770 30.2518 179.2301 34 R 3.8265 8.0795 117.3898 59.7836 30.0621 179.4233 35 R 3.9305 8.4514 117.5846 59.2076 29.9079 178.9327 36 A 3.9812 8.2747 119.8269 54.8289 18.4749 178.9294 37 K 4.1302 8.8640 116.7247 56.2912 32.9750 176.4288 38 G 3.7933 8.1992 106.4002 47.0489 0.0000 174.1266 39 R 4.0351 8.4109 118.1103 56.0147 31.0600 175.8457 40 A 4.2799 8.4876 124.5859 53.7522 19.5111 178.0168 41 R 4.5208 7.4872 115.7654 53.4172 30.0799 175.8179 42 L 4.1652 8.3550 122.2956 57.7792 42.1365 178.4206 43 T 4.4853 7.8411 102.1418 61.7843 73.0807 174.7934 44 V 3.7979 8.9245 120.5398 63.2844 32.2809 168.8610 45 S 4.2833 7.9861 126.0431 57.8242 65.4391 174.0116 46 K 4.1265 8.7021 125.5043 57.7448 31.9794 177.2005 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 8.30 4.32 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.51 3.73 0.00 1.83 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.51 7.81 3 R 8.15 4.54 0.00 1.86 1.90 0.00 3.44 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 4 T 8.34 4.00 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 1.24 0.00 0.00 5 F 8.08 4.64 0.00 2.99 3.09 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 0.00 0.00 0.00 6 Q 7.98 4.17 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 7 P 0.00 3.94 0.00 1.93 1.83 0.00 3.48 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 8 S 7.97 4.32 0.00 3.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.86 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 0.81 0.00 0.00 0.96 0.00 0.00 10 L 7.88 3.96 0.00 1.78 1.70 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.98 4.06 0.00 1.81 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 R 8.52 4.02 0.00 2.11 2.43 0.00 2.85 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 13 N 8.40 4.51 0.00 2.91 2.94 0.00 0.00 7.06 7.05 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 14 R 7.51 4.08 0.00 1.87 1.97 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 15 S 7.86 4.44 0.00 3.64 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.98 4.96 0.00 3.08 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 4.15 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 19 R 7.99 3.77 0.00 1.84 1.98 0.00 3.34 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 20 A 7.85 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.77 0.00 2.10 1.83 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 22 M 7.83 4.07 0.00 1.58 1.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.10 0.00 23 A 7.51 4.60 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.43 4.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 25 K 8.69 3.97 0.00 1.89 1.80 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 N 8.07 4.60 0.00 2.79 2.82 0.00 0.00 6.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.94 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.03 3.90 0.00 2.04 1.97 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 29 Q 7.66 3.95 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 30 V 7.96 3.58 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 31 L 8.00 4.06 0.00 1.92 1.76 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.14 4.00 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 33 R 8.19 3.82 0.00 1.86 2.00 0.00 3.16 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 1.63 1.94 0.00 34 R 8.08 3.83 0.00 2.01 2.03 0.00 3.14 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 35 R 8.45 3.93 0.00 2.09 1.99 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 36 A 8.27 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.13 0.00 1.73 1.95 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 G 8.20 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.41 4.04 0.00 1.97 1.85 0.00 3.30 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 40 A 8.49 4.28 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 41 R 7.49 4.52 0.00 1.85 1.85 0.00 3.16 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 42 L 8.36 4.17 0.00 1.70 1.89 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.84 4.49 4.37 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 1.43 0.00 0.00 44 V 8.92 3.80 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 45 S 7.99 4.28 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.70 4.13 0.00 1.71 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81