NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4223 0.0000 0.0000 61.9009 32.5233 176.8694 2 P 4.4148 0.0000 0.0000 62.1501 32.7262 175.1880 3 L 4.3795 9.4459 123.5589 54.3942 42.5915 174.7075 4 S 3.0649 9.2656 120.5982 59.9494 61.7692 170.0903 5 Q 3.9936 7.1055 126.2806 56.0208 28.4829 173.7833 6 E 4.1636 8.1999 116.8254 59.2892 30.8257 177.1196 7 T 4.1036 8.9622 113.9324 63.7128 67.5338 179.9741 8 F 3.4199 8.7548 123.7336 60.0951 41.3663 178.2412 9 S 4.1465 8.4765 117.0361 61.0625 62.2842 175.6428 10 D 4.6876 7.9977 119.8351 54.3973 40.2842 177.2767 11 L 3.9374 7.7582 122.8887 57.2012 41.7086 178.0793 12 W 4.4066 8.5753 116.5174 59.9907 27.9254 178.2953 13 K 2.7325 6.9332 116.7033 58.0973 31.4420 178.4965 14 L 3.8877 7.7264 121.3254 58.2256 42.0535 178.9182 15 L 4.4122 7.3562 118.1322 56.5592 41.2062 178.3515 16 K 4.4064 7.6464 119.0689 56.3057 31.7666 175.5096 17 K 4.5058 7.8518 120.2935 56.1090 39.4925 177.3641 18 W 3.8937 9.1975 129.1799 60.2768 30.6393 177.8977 19 K 4.0886 8.4119 119.3759 60.2291 31.4362 177.6460 20 M 3.8728 7.2013 117.1049 58.6873 32.4741 177.9355 21 R 4.4765 8.6757 118.1162 58.4778 30.5582 178.8875 22 R 4.5783 8.4868 112.5419 57.1828 29.7998 176.1078 23 N 5.5631 8.2543 111.2827 53.2669 42.0464 173.1784 24 Q 4.3754 10.4596 123.6912 56.0547 36.9283 176.1064 25 F 3.9711 9.4605 129.1519 61.6630 40.9411 176.2099 26 W 4.7922 9.0193 117.4696 60.0303 28.1327 178.1668 27 V 2.0000 7.5022 113.3639 63.7344 30.7582 178.7546 28 K 3.7448 7.6072 117.7191 59.1786 31.6022 179.2869 29 V 3.6255 7.8621 118.1690 65.4916 31.3765 177.1952 30 Q 4.3679 7.5854 115.8815 57.2860 30.1766 176.4583 31 R 3.1626 8.6896 114.0176 57.7395 27.9445 175.7294 32 G 4.2948 8.2293 113.5260 45.6097 0.0000 171.1243 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 4.42 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 2 P 0.00 4.41 0.00 2.53 2.18 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 3 L 9.45 4.38 0.00 1.67 1.74 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 S 9.27 3.06 0.00 3.85 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 5 Q 7.11 3.99 0.00 1.93 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 6 E 8.20 4.16 0.00 2.03 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 0.00 2.33 2.38 0.00 7 T 8.96 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 8 F 8.75 3.42 0.00 3.22 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.15 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.00 4.69 0.00 2.86 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 11 L 7.76 3.94 0.00 1.64 1.56 0.63 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 W 8.58 4.41 0.00 3.57 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 6.93 2.73 0.00 1.38 1.48 0.00 1.43 0.00 0.00 1.32 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.70 1.20 7.81 14 L 7.73 3.89 0.00 1.83 1.59 1.03 0.64 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 15 L 7.36 4.41 0.00 1.97 1.77 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.65 4.41 0.00 1.13 1.53 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.16 7.81 17 K 7.85 4.51 0.00 1.69 1.66 0.00 1.97 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.42 7.81 18 W 9.20 3.89 0.00 3.53 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 19 K 8.41 4.09 0.00 2.01 1.96 0.00 1.92 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.70 1.58 7.81 20 M 7.20 3.87 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 21 R 8.68 4.48 0.00 1.20 1.72 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.27 0.00 22 R 8.49 4.58 0.00 2.09 2.15 0.00 2.95 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.27 0.00 23 N 8.25 5.56 0.00 3.07 2.89 0.00 0.00 7.17 7.54 0.00 0.00 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 Q 10.46 4.38 0.00 2.39 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.39 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 25 F 9.46 3.97 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.02 4.79 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 2.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.65 0.00 0.00 28 K 7.61 3.74 0.00 1.36 1.50 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.27 7.81 29 V 7.86 3.63 2.60 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 1.15 0.00 0.00 1.35 0.00 0.00 30 Q 7.59 4.37 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 5.97 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 31 R 8.69 3.16 0.00 1.86 2.10 0.00 3.39 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 32 G 8.23 4.29 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 0.00