NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6907 8.2233 120.2155 54.2138 43.8442 177.2916 4 K 3.7984 8.1218 117.7442 58.6213 32.1687 177.6341 5 W 4.1063 8.7258 130.0063 60.4123 31.0717 177.4112 6 A 4.0759 8.2899 120.3327 55.0945 17.8996 179.1889 7 S 4.0511 8.1181 111.7562 61.5977 62.4352 176.2851 8 L 4.0486 7.9771 122.8264 57.8294 41.7664 178.5281 9 W 4.1229 7.8939 128.5382 60.6310 30.4564 177.7106 10 N 3.9575 8.1172 116.2228 56.0217 37.9049 177.4816 11 W 4.3240 8.2001 120.5584 59.6607 29.1885 178.4062 12 F 4.3086 8.4898 120.7892 61.4458 38.8826 177.0363 13 N 3.8500 8.0681 116.4386 56.1362 38.1319 177.5887 14 I 3.7687 7.7565 121.3005 64.5789 37.1037 178.7014 15 T 3.9307 8.1678 116.6978 66.7312 68.2697 176.5849 16 N 4.4113 7.9456 118.1753 55.9235 38.4589 177.2373 17 W 4.2137 8.1059 129.6020 60.6176 30.8388 178.0553 18 L 3.5315 8.2694 119.1162 57.4210 40.9106 179.6074 19 W 4.3169 8.3252 119.1674 59.7807 28.9606 177.7296 20 Y 4.0319 8.4736 119.8883 60.8761 38.3089 178.1385 21 I 3.3478 7.4699 120.4968 64.2562 37.1917 178.3478 22 K 3.8170 7.7346 120.0015 59.6871 32.0247 179.0180 23 I 3.7574 8.0689 120.3539 64.2763 36.9076 178.3098 24 E 3.7853 7.9781 119.6618 59.1459 29.1893 179.2470 25 E 3.8702 7.8707 118.5063 59.3531 29.4961 179.3005 26 L 3.9589 7.8791 118.9407 57.7807 41.5992 179.7027 27 K 3.9055 8.2971 118.6846 59.7151 31.9074 179.5984 28 S 4.1092 8.0700 115.3194 61.2813 62.6368 176.9678 29 K 3.9425 7.8986 121.2723 59.5629 31.8438 179.4191 30 I 3.6910 7.9158 120.2057 64.1895 36.9758 178.4564 31 K 3.9369 8.2995 120.8190 59.4954 32.0392 178.9379 32 R 3.9200 8.1885 118.5372 59.3447 29.9619 179.0042 33 I 3.6647 7.8629 119.3373 64.6492 37.3142 178.4416 34 E 3.9862 8.2840 119.2355 59.3557 29.3407 179.2783 35 N 4.3431 8.3225 116.7171 56.1115 38.5296 177.0298 36 E 3.8995 8.1672 120.6594 59.4585 29.7336 178.7192 37 I 3.6738 7.8457 119.8198 64.6193 36.9431 178.5912 38 K 3.9765 7.7509 117.6734 59.2698 31.9913 179.1698 39 R 4.0299 7.8565 118.7915 59.3596 29.8052 178.5629 40 I 3.7070 7.7186 118.6854 64.3730 37.3001 178.0345 41 K 4.2315 8.0081 115.9084 57.0068 32.0749 177.6305 42 K 4.2046 7.5315 125.5320 56.8173 32.2615 175.8141 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 3 D 8.22 4.69 0.00 2.76 2.73 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 4 K 8.12 3.80 0.00 2.03 1.94 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.63 7.81 5 W 8.73 4.11 0.00 3.41 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.08 1.51 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 0.00 0.00 7 S 8.12 4.05 0.00 4.15 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.05 0.00 1.91 1.52 0.93 0.92 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 9 W 7.89 4.12 0.00 1.93 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 3.96 0.00 2.68 2.33 0.00 0.00 7.09 7.12 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 11 W 8.20 4.32 0.00 3.44 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 F 8.49 4.31 0.00 3.05 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 13 N 8.07 3.85 0.00 2.41 2.47 0.00 0.00 7.08 7.50 0.00 0.00 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 I 7.76 3.77 2.05 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 1.06 0.00 0.00 15 T 8.17 3.93 4.39 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 1.44 0.00 0.00 16 N 7.95 4.41 0.00 2.59 2.72 0.00 0.00 6.69 7.23 0.00 0.00 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 W 8.11 4.21 0.00 3.39 3.37 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 18 L 8.27 3.53 0.00 1.47 1.39 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.33 4.32 0.00 3.55 3.11 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 0.00 0.00 0.00 20 Y 8.47 4.03 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 3.35 1.54 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.10 0.64 0.00 0.00 22 K 7.73 3.82 0.00 1.75 2.00 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.61 7.81 23 I 8.07 3.76 1.79 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 1.86 0.83 0.86 0.00 0.00 24 E 7.98 3.79 0.00 1.85 1.79 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 1.47 1.94 0.00 25 E 7.87 3.87 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 26 L 7.88 3.96 0.00 1.78 1.70 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.30 3.91 0.00 1.85 1.82 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.53 7.81 28 S 8.07 4.11 0.00 3.97 3.88 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 29 K 7.90 3.94 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.92 3.69 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.90 0.00 0.00 31 K 8.30 3.94 0.00 1.86 1.92 0.00 1.64 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 1.43 1.47 7.81 32 R 8.19 3.92 0.00 2.06 1.96 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 33 I 7.86 3.66 2.03 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 1.51 0.70 0.90 0.00 0.00 34 E 8.28 3.99 0.00 2.14 1.99 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 2.32 2.48 0.00 35 N 8.32 4.34 0.00 2.93 2.86 0.00 0.00 6.60 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 36 E 8.17 3.90 0.00 2.21 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 2.30 2.39 0.00 37 I 7.85 3.67 1.87 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 1.52 0.57 0.91 0.00 0.00 38 K 7.75 3.98 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 39 R 7.86 4.03 0.00 2.06 2.08 0.00 3.10 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 1.62 1.66 0.00 40 I 7.72 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 0.83 0.91 0.00 0.00 41 K 8.01 4.23 0.00 1.72 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.58 7.81 42 K 7.53 4.20 0.00 1.99 1.72 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.46 7.81