NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4382 8.1627 120.3266 55.0940 33.5263 175.8203 3 K 4.3121 8.3156 122.7086 56.5281 32.3776 177.4395 4 Q 3.9045 8.7475 120.9613 60.0511 29.5902 177.4373 5 I 3.7600 7.7561 120.2211 64.2475 36.5987 177.9714 6 E 3.9235 7.7973 118.2952 59.5666 29.3602 178.9374 7 D 4.4023 8.0566 118.5019 57.5169 40.9059 179.2635 8 K 4.1372 8.0964 118.7305 59.6796 32.0599 179.4613 9 S 4.1129 8.5491 115.8094 61.6944 62.7117 176.5566 10 E 3.9674 8.3989 122.1222 59.3104 29.3216 178.7581 11 E 4.0297 8.2827 118.7411 59.2449 29.4030 179.2837 12 I 3.6806 8.0981 120.2984 64.4699 37.1423 178.4360 13 L 3.8057 7.8466 119.6977 57.6874 41.4210 179.5796 14 S 4.2792 8.1635 113.0426 61.5303 62.3523 176.4327 15 K 4.0878 8.4122 121.4698 59.3092 31.6305 179.3317 16 L 3.9413 8.1420 119.6528 58.0632 41.5310 179.1913 17 Y 4.1636 8.0733 117.0285 61.2347 37.7151 177.8926 18 H 4.2413 8.4651 119.2643 59.4171 29.8483 177.4331 19 I 3.7783 8.2158 121.9173 64.4785 36.9668 178.1820 20 E 3.9856 8.5256 119.7756 59.5828 29.1509 179.3188 21 N 4.3909 8.3310 116.5283 56.1312 38.5966 177.2818 22 E 3.9225 8.3010 120.1620 59.5295 29.5737 179.4697 23 L 3.9784 8.2822 119.0574 57.6311 41.6002 179.3897 24 A 3.9652 8.1547 120.7977 55.1438 18.2518 179.6323 25 R 3.8185 8.2944 117.4484 59.5725 30.1314 178.7639 26 I 3.6591 7.6835 119.5293 64.2226 37.1435 178.1168 27 K 3.8339 8.6073 120.7184 59.4337 31.7599 178.3148 28 K 3.8287 7.8975 118.2909 59.7587 32.5366 178.1782 29 L 4.2928 8.0794 119.0627 58.0323 41.3502 179.6977 30 L 4.2002 8.0407 117.8716 57.3349 41.6787 179.1628 31 G 3.7731 8.0533 103.9537 46.1494 0.0000 173.3537 32 E 4.2962 7.7592 125.1732 56.4073 29.8317 175.6766 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 2 M 8.16 4.44 0.00 2.13 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 2.59 2.48 0.00 3 K 8.32 4.31 0.00 2.12 1.79 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 4 Q 8.75 3.90 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 5 I 7.76 3.76 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 1.64 0.36 0.91 0.00 0.00 6 E 7.80 3.92 0.00 2.14 2.02 0.00 0.00 0.00 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 2.36 0.00 7 D 8.06 4.40 0.00 2.71 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 8 K 8.10 4.14 0.00 1.78 1.85 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.63 7.81 9 S 8.55 4.11 0.00 4.02 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 10 E 8.40 3.97 0.00 2.35 1.95 0.00 0.00 0.00 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 2.37 0.00 11 E 8.28 4.03 0.00 2.07 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 2.36 2.55 0.00 12 I 8.10 3.68 2.07 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 0.75 0.88 0.00 0.00 13 L 7.85 3.81 0.00 1.72 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.28 0.00 3.98 4.11 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 15 K 8.41 4.09 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.69 7.81 16 L 8.14 3.94 0.00 1.73 1.51 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.07 4.16 0.00 3.15 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.47 4.24 0.00 3.31 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.22 3.78 1.98 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 1.51 0.63 0.89 0.00 0.00 20 E 8.53 3.99 0.00 2.20 2.05 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 2.33 2.63 0.00 21 N 8.33 4.39 0.00 2.92 2.88 0.00 0.00 6.98 7.38 0.00 0.00 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 8.30 3.92 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 23 L 8.28 3.98 0.00 1.80 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.15 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.29 3.82 0.00 1.98 2.06 0.00 3.11 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 1.67 0.00 26 I 7.68 3.66 2.01 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 1.40 0.49 0.91 0.00 0.00 27 K 8.61 3.83 0.00 1.77 2.06 0.00 1.65 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 1.44 1.46 7.81 28 K 7.90 3.83 0.00 1.90 2.06 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 L 8.08 4.29 0.00 1.72 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.04 4.20 0.00 1.76 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.05 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.76 4.30 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00