NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2981 8.3044 120.3282 55.4221 32.8119 175.6060 2 K 4.0667 8.4748 126.6656 54.7257 31.5479 175.4428 3 R 4.0366 8.1822 126.7278 56.4351 31.4814 176.5399 4 T 4.2709 8.1276 112.9382 60.7415 67.2033 172.7446 5 F 4.5959 8.2754 135.0000 57.0485 44.5971 174.8309 6 Q 3.4335 7.9678 122.6948 54.5381 29.2330 173.6204 7 P 4.3835 0.0000 0.0000 61.2034 29.0395 175.9090 8 S 3.7487 8.8018 122.9488 57.9982 59.4719 169.4920 9 V 4.0652 8.0717 120.0070 61.7199 32.0647 177.3630 10 L 4.2761 7.6987 118.8849 56.5925 41.1012 177.4076 11 K 4.1323 7.4030 117.9394 57.5127 32.3838 177.3092 12 R 4.0350 7.0964 116.8033 58.5406 30.5892 177.5006 13 N 4.9589 8.0221 115.6596 56.1938 39.1210 175.5919 14 R 4.6278 7.7017 116.6702 55.7382 30.1567 176.2655 15 S 4.6431 7.7308 112.5016 59.4355 69.6425 175.0008 16 H 4.6254 7.6615 121.1267 53.9408 33.1320 172.5759 17 G 3.7555 9.9738 127.0700 47.3375 0.0000 172.7116 18 F 3.7102 7.2755 111.5615 58.3542 38.8557 178.2124 19 R 4.0731 9.7267 116.7232 58.1973 29.3866 178.2519 20 A 3.8360 7.6609 120.0513 54.6986 19.0184 178.6495 21 R 4.1014 7.8032 116.9066 58.7198 30.2151 178.1205 22 M 3.9675 8.4870 120.3126 58.9328 32.3920 178.4052 23 A 4.1047 7.4800 119.7654 53.7825 18.8868 177.6760 24 T 4.4168 7.2861 113.4421 62.0258 69.7653 174.7291 25 K 3.7991 7.9616 122.5126 59.9039 31.8599 178.7681 26 N 4.4741 8.2592 119.2020 56.1130 37.1884 177.3520 27 G 3.7321 7.7237 108.3555 48.0267 0.0000 175.5853 28 R 3.9938 8.0129 120.2031 58.9840 29.9348 178.6854 29 Q 4.0966 8.0936 118.3718 58.7786 28.8498 178.2748 30 V 3.3684 7.5381 119.0588 66.3925 31.3141 178.1132 31 L 4.1844 7.7305 116.9287 57.4279 41.4042 179.1763 32 A 4.0777 7.8472 120.4666 54.9878 18.2585 179.6389 33 R 3.6050 8.7620 116.7074 59.4391 30.4192 177.8168 34 R 4.3175 7.5726 116.0775 57.7512 30.5653 178.4519 35 R 3.8882 8.5993 120.0644 60.2468 30.5388 178.2591 36 A 4.0130 7.8466 120.8905 54.8934 18.7113 178.5677 37 K 3.9286 8.7625 117.8388 59.5013 33.3884 180.1149 38 G 4.0801 7.8504 114.8426 45.7334 0.0000 175.0666 39 R 4.5239 8.4539 123.4285 56.1357 32.3226 174.5255 40 A 3.9295 8.2940 120.5156 52.8871 18.6041 178.4105 41 R 4.0400 8.8122 122.6021 58.6070 30.3219 177.2453 42 L 4.2268 7.4924 114.7456 54.5547 44.6352 174.4409 43 T 4.4597 8.0877 116.6107 60.5925 69.0840 172.6745 44 V 4.7126 7.7131 120.9198 62.1723 34.2965 171.5612 45 S 4.4402 7.3491 122.4420 58.5857 67.3596 176.6506 46 K 4.1693 8.8223 122.5377 57.7908 31.9084 176.6883 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 4.30 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.47 4.07 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 R 8.18 4.04 0.00 1.83 1.90 0.00 3.35 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 4 T 8.13 4.27 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 1.24 0.00 0.00 5 F 8.28 4.60 0.00 2.82 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 6 Q 7.97 3.43 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 7 P 0.00 4.38 0.00 2.06 1.10 0.00 3.69 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 8 S 8.80 3.75 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.07 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 0.78 0.00 0.00 0.92 0.00 0.00 10 L 7.70 4.28 0.00 1.73 1.77 0.90 0.38 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 11 K 7.40 4.13 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.34 7.81 12 R 7.10 4.03 0.00 1.95 1.82 0.00 3.25 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 13 N 8.02 4.96 0.00 2.74 2.77 0.00 0.00 7.71 7.65 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 14 R 7.70 4.63 0.00 1.82 1.90 0.00 3.31 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 15 S 7.73 4.64 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.63 0.00 3.07 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 3.71 0.00 3.44 3.40 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 0.00 0.00 0.00 0.00 19 R 9.73 4.07 0.00 2.11 2.24 0.00 2.76 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 20 A 7.66 3.84 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 7.80 4.10 0.00 1.91 2.12 0.00 3.34 0.00 0.00 3.27 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 22 M 8.49 3.97 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 23 A 7.48 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 25 K 7.96 3.80 0.00 1.84 1.73 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.58 7.81 26 N 8.26 4.47 0.00 2.99 3.09 0.00 0.00 5.85 6.93 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 27 G 7.72 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 0.00 0.00 0.00 28 R 8.01 3.99 0.00 1.91 1.95 0.00 3.28 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 29 Q 8.09 4.10 0.00 2.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 30 V 7.54 3.37 2.24 0.00 0.00 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 0.98 0.00 0.00 31 L 7.73 4.18 0.00 2.06 1.73 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.85 4.08 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 8.76 3.60 0.00 1.95 2.02 0.00 3.32 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 34 R 7.57 4.32 0.00 1.96 1.87 0.00 3.18 0.00 0.00 3.18 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 35 R 8.60 3.89 0.00 1.99 1.99 0.00 3.24 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 36 A 7.85 4.01 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.76 3.93 0.00 1.82 2.04 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 38 G 7.85 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 0.00 0.00 0.00 39 R 8.45 4.52 0.00 1.73 1.87 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 40 A 8.29 3.93 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 41 R 8.81 4.04 0.00 1.81 2.02 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 42 L 7.49 4.23 0.00 1.52 1.50 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.09 4.46 4.30 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 0.00 0.00 0.00 1.24 0.00 0.00 44 V 7.71 4.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.15 0.00 0.00 45 S 7.35 4.44 0.00 3.81 3.71 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 46 K 8.82 4.17 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.47 7.81