NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3024 8.3144 119.9975 56.9651 33.7865 174.6037 2 K 4.3298 8.2576 118.3559 55.4418 32.5466 174.2471 3 K 4.1460 8.8773 118.7607 55.7304 33.1278 176.4170 4 I 4.3946 8.1819 125.4012 60.3669 38.2631 175.3896 5 S 4.8258 8.9796 117.8873 55.9373 65.7362 175.1556 6 K 3.4508 8.8399 121.0681 59.4996 31.8095 177.5608 7 A 4.4060 7.2793 118.9991 52.4690 18.8332 177.8792 8 D 4.4031 8.6259 117.4983 56.3923 41.3666 176.5756 9 I 3.7312 7.6236 129.6887 61.5308 36.7136 177.2521 10 G 3.8232 8.1556 116.1350 44.8485 0.0000 170.4328 11 A 4.1829 8.4106 123.1792 50.6710 19.1333 176.1089 12 P 4.4082 0.0000 0.0000 62.7991 31.6314 176.5634 13 S 5.6885 7.9470 119.6121 56.7899 62.6214 177.5662 14 G 5.1024 8.0429 135.0000 46.3886 0.0000 169.9819 15 F 4.1641 8.3772 122.6698 58.4450 39.2632 174.3753 16 K 4.1623 8.0871 129.8858 54.4525 32.3750 175.4677 17 H 4.2477 7.9502 126.6625 55.9415 27.4999 174.8733 18 V 3.6781 7.8061 124.5075 65.0170 32.1283 176.2378 19 S 5.1930 7.2882 110.8287 58.1052 65.0003 172.3954 20 H 4.9537 8.5591 126.0906 54.4240 32.6462 171.9352 21 V 4.3862 8.6428 126.3237 61.3381 33.4237 175.2914 22 G 3.9815 8.5130 116.8501 43.9615 0.0000 171.7836 23 W 4.5270 8.4934 135.0000 57.3391 32.1283 175.1285 24 D 3.9308 6.5446 121.2580 52.5126 44.2866 174.7786 25 P 3.9306 0.0000 0.0000 63.9350 31.5484 176.4325 26 Q 4.3928 7.5468 118.7212 56.2313 30.9000 175.3617 27 N 4.5824 7.9836 113.3767 52.3438 40.4946 171.5099 28 G 3.6084 8.4040 110.7797 45.7756 0.0000 168.0024 29 F 3.8025 8.5409 129.9218 57.0470 39.3522 175.4007 30 D 4.9873 8.9011 126.6471 53.5301 41.6273 176.1073 31 V 4.0935 8.4329 117.5668 62.4875 31.9769 174.7700 32 N 5.1089 8.3262 123.4495 52.1607 38.2082 173.5493 33 N 4.4247 7.6845 113.2168 53.4347 40.2400 174.2926 34 L 4.4090 8.0201 115.5641 53.3564 42.5430 176.5746 35 D 4.4872 8.0005 118.8750 53.5355 41.9430 175.3443 36 P 4.1854 0.0000 0.0000 65.8453 31.5479 177.7958 37 D 4.4662 8.0525 117.2469 57.1123 41.4530 178.1313 38 L 4.0999 7.8279 118.6632 57.4453 41.0397 179.2451 39 R 3.6883 8.0896 118.8163 59.3661 29.8469 178.9660 40 S 4.3303 7.8893 114.4505 60.9906 62.9644 176.5407 41 L 4.2352 7.7827 121.3003 57.3329 41.5554 179.1687 42 F 3.9362 9.3823 119.0772 60.6910 39.0355 177.7515 43 S 4.7588 7.9063 112.7250 60.3769 61.8896 175.5924 44 R 4.1754 7.4173 118.2812 55.9362 30.2932 177.1603 45 A 4.0242 8.3251 119.9503 53.3212 18.0192 177.8273 46 G 3.6735 8.8013 113.9180 45.2856 0.0000 174.5352 47 I 4.0897 7.3675 121.2995 61.5781 37.4852 176.5654 48 S 5.1339 7.6773 111.7645 57.5801 62.2459 174.9862 49 E 3.9869 8.1308 118.0431 57.1336 29.5626 176.8249 50 A 4.5725 6.8798 124.2872 51.5516 22.3658 176.2903 51 Q 4.0827 8.6521 121.4146 55.8951 29.3546 176.6293 52 L 4.2998 8.2339 119.3070 55.0532 41.5944 177.1224 53 T 4.4810 8.2866 118.1218 62.6087 70.2730 172.5656 54 D 4.1581 8.2517 121.7839 54.7968 40.5273 171.3616 55 A 3.7446 8.5819 135.0000 50.9761 18.9918 177.3293 56 E 4.1876 8.6259 122.3125 56.0255 30.2941 177.0476 57 T 3.9228 8.1895 112.0331 61.5420 69.4092 174.0244 58 S 4.2462 8.5130 120.3419 57.6841 62.7778 173.8745 59 K 4.1809 8.6080 126.3460 56.7975 31.8147 176.8999 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 K 8.31 4.30 0.00 1.88 1.90 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 2 K 8.26 4.33 0.00 1.77 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.53 7.81 3 K 8.88 4.15 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.40 7.81 4 I 8.18 4.39 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 1.47 0.77 0.91 0.00 0.00 5 S 8.98 4.83 0.00 3.91 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 6 K 8.84 3.45 0.00 1.76 1.95 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 7 A 7.28 4.41 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.63 4.40 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.73 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 1.35 0.34 0.92 0.00 0.00 10 G 8.16 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.18 1.25 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 0.00 0.00 0.00 12 P 0.00 4.41 0.00 2.19 2.12 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 13 S 7.95 5.69 0.00 4.05 3.95 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 0.00 0.00 0.00 14 G 8.04 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.38 4.16 0.00 2.86 3.06 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 0.00 0.00 0.00 16 K 8.09 4.16 0.00 1.74 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.36 7.81 17 H 7.95 4.25 0.00 2.86 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.81 3.68 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 0.80 0.00 0.00 0.92 0.00 0.00 19 S 7.29 5.19 0.00 3.80 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 4.95 0.00 2.90 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.64 4.39 2.23 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 1.26 0.00 0.00 0.99 0.00 0.00 22 G 8.51 3.98 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 0.00 0.00 0.00 23 W 8.49 4.53 0.00 2.69 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 24 D 6.54 3.93 0.00 2.38 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 0.00 0.00 0.00 0.00 25 P 0.00 3.93 0.00 1.99 1.83 0.00 3.16 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 26 Q 7.55 4.39 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 27 N 7.98 4.58 0.00 2.62 2.79 0.00 0.00 6.88 7.61 0.00 0.00 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 G 8.40 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 3.80 0.00 3.31 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 30 D 8.90 4.99 0.00 2.90 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 0.00 0.00 0.00 0.00 31 V 8.43 4.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.22 0.00 0.00 32 N 8.33 5.11 0.00 2.80 2.82 0.00 0.00 6.07 8.09 0.00 0.00 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 N 7.68 4.42 0.00 2.73 2.66 0.00 0.00 7.16 6.62 0.00 0.00 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 L 8.02 4.41 0.00 1.55 1.41 0.53 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.00 4.49 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.06 2.07 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 37 D 8.05 4.47 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 38 L 7.83 4.10 0.00 1.57 1.47 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.09 3.69 0.00 2.01 1.98 0.00 3.08 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 40 S 7.89 4.33 0.00 4.01 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 41 L 7.78 4.24 0.00 1.92 1.78 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.38 3.94 0.00 3.09 3.06 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 0.00 0.00 0.00 43 S 7.91 4.76 0.00 4.05 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 44 R 7.42 4.18 0.00 2.02 2.09 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 45 A 8.33 4.02 1.17 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 0.00 0.00 46 G 8.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.37 4.09 1.74 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.87 0.62 0.00 0.00 48 S 7.68 5.13 0.00 3.93 3.74 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 0.00 0.00 0.00 49 E 8.13 3.99 0.00 1.98 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 2.30 0.00 50 A 6.88 4.57 1.25 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 0.00 0.00 0.00 51 Q 8.65 4.08 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 52 L 8.23 4.30 0.00 1.64 1.64 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.29 4.48 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 1.22 0.00 0.00 54 D 8.25 4.16 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 3.74 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.63 4.19 0.00 1.95 1.90 0.00 0.00 0.00 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 2.36 0.00 57 T 8.19 3.92 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 58 S 8.51 4.25 0.00 3.85 3.83 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 0.00 0.00 0.00 59 K 8.61 4.18 0.00 1.79 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.38 7.81