NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4192 8.3049 120.3183 54.9924 34.7657 175.9436 2 K 4.4290 7.5130 129.3471 53.4559 30.8128 176.8449 3 E 3.3095 10.5272 124.0382 58.1772 29.4954 174.9405 4 G 4.0744 10.4123 105.8357 45.2664 0.0000 173.9771 5 I 4.5433 7.5016 110.1645 59.8195 37.2298 173.2627 6 H 5.0214 8.0790 116.8552 54.1732 31.9959 173.4418 7 P 4.0036 0.0000 0.0000 64.1887 31.3496 177.2894 8 K 4.2882 7.3122 123.3668 56.8454 31.9731 175.8487 9 L 4.1855 7.9653 113.6393 53.5340 41.8587 172.6381 10 V 4.5684 8.2496 120.2218 60.3999 34.4486 169.5923 11 P 4.5285 0.0000 0.0000 63.4871 32.3196 174.8514 12 A 4.6021 8.6217 122.9719 51.4915 23.0542 174.7709 13 R 4.9513 8.6153 114.2818 54.7500 33.2248 174.5029 14 I 4.8791 8.1184 119.4375 59.5987 41.1922 175.6086 15 I 4.4698 8.1460 124.0750 59.9570 40.3768 175.1491 16 C 4.9037 8.3943 127.8216 58.3541 32.7062 173.4543 17 G 3.9299 8.7417 107.3132 47.3568 0.0000 174.6539 18 C 4.8231 7.5466 114.3702 56.2750 30.3786 174.1727 19 G 3.3674 7.6573 116.8007 46.2024 0.0000 173.5208 20 N 3.7476 7.6690 124.3160 51.3164 37.3245 172.2914 21 V 4.4026 7.7812 125.0979 60.6049 33.1176 174.8487 22 I 4.0528 8.1994 128.1754 61.0264 38.9294 174.4159 23 E 4.7985 8.4810 123.6957 54.6043 31.6434 173.8546 24 T 4.3434 8.4835 121.3997 61.4479 74.0502 172.5141 25 Y 5.3909 9.1247 118.6479 55.7920 43.1650 176.8601 26 S 5.0208 8.2341 117.2931 59.5782 66.3535 177.7760 27 T 4.6611 7.9841 113.0759 60.8490 70.0983 170.6395 28 K 3.6996 8.6114 132.1357 55.2561 29.6224 174.0142 29 P 4.2336 0.0000 0.0000 64.3933 31.7243 175.4875 30 E 4.6279 7.4625 116.4677 54.7507 30.5464 175.7874 31 I 4.0357 7.8628 125.4501 59.4463 40.8132 174.5199 32 Y 4.8724 7.6845 126.1848 55.3286 37.3456 174.5303 33 V 4.2962 8.5122 127.0038 62.2918 33.4093 175.3378 34 E 4.2354 8.9538 126.2867 58.9957 29.9371 176.9739 35 V 4.8600 7.6315 116.4674 61.2780 35.5803 174.4030 36 C 4.9464 8.3955 119.2002 58.0065 30.5358 173.8831 37 S 4.5825 8.5085 116.9698 57.6027 63.0651 173.3404 38 K 4.7855 8.0157 133.6737 56.7086 33.8056 174.9200 39 C 4.3485 7.9160 119.1844 56.8883 29.5851 170.0991 40 H 3.3243 6.4544 128.6093 54.2334 30.4691 173.0172 41 P 4.1060 0.0000 0.0000 62.4214 33.4700 174.2452 42 F 4.5726 9.3284 112.7030 59.0320 39.8090 171.5313 43 Y 3.3089 9.7716 116.9048 57.1025 40.9139 172.7083 44 T 3.4247 7.3747 111.3516 59.6342 69.5221 174.8967 45 G 3.8684 8.3583 116.0804 43.6994 0.0000 171.7567 46 Q 4.4397 7.1100 117.9499 55.8152 32.5384 173.0796 47 Q 4.4201 8.7578 123.4904 56.5162 32.0887 174.6562 48 R 5.1407 7.8904 126.4929 57.8748 31.4175 173.6972 49 F 5.1413 8.2303 121.9306 56.5208 44.2481 176.1541 50 V 3.3143 8.4191 119.5235 64.9302 29.6463 176.4192 51 D 4.8971 9.5004 119.4753 53.5087 37.6977 177.3548 52 T 4.0114 7.7432 109.1014 63.7316 69.2903 174.5351 53 E 4.4043 7.9148 121.2491 55.0870 31.1808 176.5157 54 G 4.3109 8.3580 110.6521 44.6457 0.0000 172.6762 55 R 4.6819 7.4240 110.4565 55.9584 32.1030 177.6792 56 V 4.0469 8.1341 118.2542 58.7954 30.1852 174.9257 57 E 4.7710 8.1207 123.7914 56.3148 29.9593 176.4739 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 4.42 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 K 7.51 4.43 0.00 1.84 1.19 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 3 E 10.53 3.31 0.00 2.11 2.06 0.00 0.00 0.00 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 2.32 0.00 4 G 10.41 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.50 4.54 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.93 0.00 0.00 6 H 8.08 5.02 0.00 3.13 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.00 0.00 2.05 2.12 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 7.31 4.29 0.00 1.90 2.11 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.50 7.81 9 L 7.97 4.19 0.00 1.71 2.03 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.25 4.57 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 0.75 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.53 0.00 1.90 1.90 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 12 A 8.62 4.60 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.62 4.95 0.00 1.83 1.93 0.00 2.67 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 14 I 8.12 4.88 1.86 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 1.22 0.53 0.90 0.00 0.00 15 I 8.15 4.47 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.06 0.97 0.00 0.00 16 C 8.39 4.90 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.55 4.82 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 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 0.00 0.00 0.00 20 N 7.67 3.75 0.00 2.85 2.98 0.00 0.00 6.27 7.71 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 21 V 7.78 4.40 2.08 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 0.98 0.00 0.00 1.09 0.00 0.00 22 I 8.20 4.05 1.88 0.00 0.00 0.87 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 1.13 0.92 0.00 0.00 23 E 8.48 4.80 0.00 1.87 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 24 T 8.48 4.34 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 25 Y 9.12 5.39 0.00 2.78 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 5.02 0.00 3.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 K 8.61 3.70 0.00 2.03 1.80 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.43 7.81 29 P 0.00 4.23 0.00 2.18 2.07 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 30 E 7.46 4.63 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 31 I 7.86 4.04 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.84 0.00 0.00 32 Y 7.68 4.87 0.00 2.88 3.02 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 0.00 0.00 0.00 33 V 8.51 4.30 2.20 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 0.86 0.00 0.00 0.94 0.00 0.00 34 E 8.95 4.24 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 35 V 7.63 4.86 2.10 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 0.91 0.00 0.00 0.94 0.00 0.00 36 C 8.40 4.95 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.58 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.02 4.79 0.00 1.71 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.24 7.81 39 C 7.92 4.35 0.00 3.04 2.91 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 40 H 6.45 3.32 0.00 3.07 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.11 0.00 2.06 2.15 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 42 F 9.33 4.57 0.00 3.10 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 43 Y 9.77 3.31 0.00 3.19 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.37 3.42 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 G 8.36 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.11 4.44 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 47 Q 8.76 4.42 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 48 R 7.89 5.14 0.00 1.79 1.80 0.00 3.27 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 49 F 8.23 5.14 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.42 3.31 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.16 0.00 0.00 51 D 9.50 4.90 0.00 2.87 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.74 4.01 4.20 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 1.18 0.00 0.00 53 E 7.91 4.40 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 54 G 8.36 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 55 R 7.42 4.68 0.00 1.71 1.86 0.00 3.23 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 56 V 8.13 4.05 2.08 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 0.79 0.00 0.00 0.92 0.00 0.00 57 E 8.12 4.77 0.00 2.06 1.88 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 2.06 2.09 0.00