NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4926 8.2893 120.3269 55.6412 33.7725 174.5490 2 K 4.4851 8.1151 113.3157 56.0642 32.5147 174.5366 3 K 4.2261 8.5327 120.1669 56.9436 34.3269 178.5466 4 R 4.7080 7.8830 120.4134 54.7222 32.5839 175.3080 5 L 4.4027 7.6738 117.8462 55.6395 42.5467 173.8424 6 T 4.5818 8.4659 116.2891 61.6507 70.8844 173.7266 7 I 4.5845 8.1822 118.1360 59.1483 40.5827 174.6083 8 T 4.6050 8.2466 116.4313 61.7422 70.9426 173.7581 9 L 4.8744 8.1876 125.0510 51.8111 45.9081 176.7623 10 S 4.2756 8.6072 116.1966 58.4420 64.2481 174.7712 11 E 3.8082 8.6663 127.7174 59.5271 29.7391 178.6231 12 S 4.1815 8.2601 113.5572 61.8318 62.6272 176.1896 13 V 3.4964 7.6457 121.7525 65.2080 31.3635 177.5675 14 L 3.9250 8.2096 120.0393 58.5442 41.8211 178.6289 15 E 3.9112 8.9526 118.7104 59.6073 29.4568 178.9227 16 N 4.2512 8.5626 117.1627 56.7977 38.9339 176.0462 17 L 3.9264 8.5822 121.8052 58.3760 42.1078 178.6388 18 E 3.8841 8.7926 118.4447 59.5583 29.4493 179.5614 19 K 3.8922 8.4078 119.5871 59.7841 32.3374 178.3329 20 M 3.9669 8.7573 118.9381 58.5400 31.9133 178.6046 21 A 3.9485 8.3885 120.8174 55.2790 18.3616 179.2878 22 R 3.8162 8.0351 116.9029 59.8685 29.8138 178.4595 23 E 4.0196 8.1855 116.9008 59.5942 29.6142 178.4702 24 M 4.4479 7.9367 115.2471 54.2000 32.3367 176.3033 25 G 3.9712 7.6543 106.7951 46.8723 0.0000 173.7196 26 L 4.7905 7.8927 117.6135 52.0473 45.0419 177.3373 27 S 4.5475 8.1516 115.5171 57.3164 65.6239 175.4523 28 K 3.8957 8.4151 120.9783 59.7882 31.7506 179.3577 29 S 4.0755 8.1819 114.5285 61.7449 62.7782 176.5037 30 A 3.9463 7.7941 122.4466 55.5360 18.1775 178.9995 31 M 3.9208 8.2982 116.8414 59.0560 32.1692 178.4494 32 I 3.6762 8.1637 119.8496 64.5854 37.2513 178.3592 33 S 4.1319 8.3031 116.2708 61.9936 62.4576 176.7066 34 V 3.5637 8.4802 120.7929 65.8658 30.4193 177.6836 35 A 4.3702 8.2335 120.0400 55.7037 18.3423 179.0289 36 L 3.9629 8.4880 117.1090 58.4148 41.7438 179.5486 37 E 3.9570 8.7417 118.0449 59.6910 29.3706 178.9781 38 N 4.2543 8.9571 116.5419 56.9450 39.0976 175.5214 39 Y 4.4498 9.2297 119.7292 60.9937 39.2239 177.7890 40 K 3.9943 8.7135 120.4161 58.3266 31.9927 176.1410 41 K 4.0626 7.6820 119.6054 59.0569 31.4185 176.8835 42 G 3.9083 9.1139 112.4313 44.1777 0.0000 172.7153 43 Q 3.1858 7.3378 123.2122 56.2655 29.4775 173.4711 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 8.29 4.49 0.00 2.02 2.13 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 2.50 2.48 0.00 2 K 8.12 4.49 0.00 1.88 1.77 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.47 7.81 3 K 8.53 4.23 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 4 R 7.88 4.71 0.00 1.77 1.82 0.00 3.24 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 5 L 7.67 4.40 0.00 1.69 1.58 0.92 0.57 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 6 T 8.47 4.58 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 1.21 0.00 0.00 7 I 8.18 4.58 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 1.41 0.66 0.91 0.00 0.00 8 T 8.25 4.60 4.23 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 1.20 0.00 0.00 9 L 8.19 4.87 0.00 1.56 1.50 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.61 4.28 0.00 4.03 3.99 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 11 E 8.67 3.81 0.00 2.05 1.98 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 2.58 2.42 0.00 12 S 8.26 4.18 0.00 4.07 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 13 V 7.65 3.50 2.18 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 0.96 0.00 0.00 0.91 0.00 0.00 14 L 8.21 3.93 0.00 1.74 1.79 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.95 3.91 0.00 2.24 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 2.33 2.33 0.00 16 N 8.56 4.25 0.00 2.73 2.97 0.00 0.00 6.90 6.64 0.00 0.00 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 L 8.58 3.93 0.00 1.74 1.84 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.79 3.88 0.00 2.11 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 2.34 2.51 0.00 19 K 8.41 3.89 0.00 1.88 1.98 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.48 7.81 20 M 8.76 3.97 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 21 A 8.39 3.95 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.04 3.82 0.00 2.15 2.04 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 23 E 8.19 4.02 0.00 2.22 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 2.35 2.39 0.00 24 M 7.94 4.45 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 25 G 7.65 3.97 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 0.00 0.00 0.00 26 L 7.89 4.79 0.00 1.60 1.56 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.15 4.55 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.90 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.48 7.81 29 S 8.18 4.08 0.00 3.86 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 30 A 7.79 3.95 1.39 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 0.00 0.00 0.00 31 M 8.30 3.92 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 32 I 8.16 3.68 2.10 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 0.61 0.91 0.00 0.00 33 S 8.30 4.13 0.00 4.00 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 34 V 8.48 3.56 2.25 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 1.02 0.00 0.00 0.97 0.00 0.00 35 A 8.23 4.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 3.96 0.00 1.94 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.74 3.96 0.00 2.07 2.03 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 2.59 2.49 0.00 38 N 8.96 4.25 0.00 2.64 3.10 0.00 0.00 7.20 7.42 0.00 0.00 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 Y 9.23 4.45 0.00 2.99 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 3.99 0.00 1.82 1.97 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 41 K 7.68 4.06 0.00 1.90 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 G 9.11 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 0.00 0.00 0.00 43 Q 7.34 3.19 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.49 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00