NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4401 8.2893 120.3291 54.6370 33.4284 174.6613 2 Q 3.8317 8.4265 118.6074 55.5604 28.1872 170.7583 3 V 3.5675 8.7699 126.1405 62.0968 33.2189 176.9614 4 I 3.2045 8.2640 125.5347 60.9231 37.2982 172.7230 5 L 4.4265 7.6153 120.1406 55.0824 45.0457 173.8648 6 L 4.5173 8.2708 120.2462 55.1551 47.0778 174.7891 7 E 4.4516 8.0563 119.9829 53.8425 29.7176 172.8009 8 P 4.8791 0.0000 0.0000 64.6943 30.7877 178.6241 9 S 4.0800 10.2490 113.9623 58.4942 60.2275 169.9039 10 R 4.1694 7.7481 118.6977 56.0766 32.3088 173.7974 11 L 3.4283 9.2486 123.3343 55.7856 38.6904 176.5206 12 G 3.8676 8.1354 111.6644 46.6003 0.0000 169.5752 13 K 4.4621 8.3235 115.7151 57.2810 37.9373 176.8539 14 T 4.1344 7.8411 108.9298 61.9271 69.7380 173.2077 15 G 4.4996 8.2331 108.0270 45.4111 0.0000 172.9550 16 E 4.9324 8.2616 115.0621 54.9800 32.1054 176.5858 17 V 4.1733 8.0566 122.3966 60.5679 30.8555 176.1855 18 V 4.4838 7.2084 117.8797 61.9137 34.9580 174.8845 19 S 4.5716 8.3076 120.4392 55.7336 63.0235 173.6633 20 V 3.7027 8.3579 127.5600 66.5701 31.6090 176.9280 21 K 4.2463 7.7396 117.0876 56.2967 32.9394 177.6086 22 D 4.5830 8.4570 121.3314 54.3761 38.6744 177.6833 23 G 4.1000 7.9321 104.3050 46.3865 0.0000 172.0549 24 Y 4.4583 7.5235 116.8791 57.1776 36.6655 175.3521 25 A 4.2864 7.0798 125.4856 54.4870 20.1373 178.3399 26 R 4.1368 7.5433 118.5668 54.2158 27.9746 175.4307 27 N 4.2990 7.6987 118.2874 52.7429 42.9952 174.4744 28 W 5.1091 8.1048 124.6595 57.8592 37.4618 174.5634 29 L 4.3421 7.9103 120.3932 52.6608 40.3612 175.2041 30 I 4.3178 6.9909 117.6359 61.1675 44.6649 172.3061 31 P 4.8520 0.0000 0.0000 62.4713 31.5024 175.7927 32 Q 4.4010 7.6432 116.5852 55.8532 29.6022 175.7364 33 G 4.0616 8.5181 107.6293 45.4512 0.0000 175.8122 34 L 5.2890 7.4521 125.3099 54.2507 41.1597 175.7905 35 A 4.2271 8.8838 130.0117 54.3068 23.9330 178.4580 36 V 3.2789 8.7863 105.6224 62.1632 29.3784 169.9948 37 S 3.8959 8.5906 120.0399 58.3010 62.5811 170.8451 38 A 4.4219 7.9145 124.6774 52.5574 22.5536 175.9103 39 T 4.8381 7.8050 111.5487 60.8063 69.4453 173.5816 40 R 4.5020 8.4715 116.7390 56.3724 30.6434 176.8079 41 T 4.3480 7.5686 110.4493 61.0881 67.6009 174.9786 42 N 5.2453 7.6340 111.9911 53.7752 38.1573 175.3735 43 M 4.7461 7.5309 117.3231 52.6437 33.7003 174.7224 44 K 4.6437 8.9332 123.5784 57.2423 34.4511 173.4326 45 T 4.5061 7.8933 117.1089 63.1570 66.0069 171.6352 46 L 5.0586 7.2903 118.8965 54.1359 44.6012 174.4581 47 E 5.8676 8.0327 130.7998 57.4502 29.9580 177.3764 48 A 4.6192 6.8915 122.4337 50.1311 18.2851 176.2898 49 Q 4.7070 7.0789 113.9595 55.1353 31.2008 173.1429 50 L 4.3005 8.0690 113.1597 54.7465 44.4072 172.6332 51 R 4.2403 8.5653 127.9043 56.5302 33.5546 175.2285 52 S 4.0555 8.8016 115.1600 59.8963 63.3235 172.5396 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 4.44 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 Q 8.43 3.83 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 3 V 8.77 3.57 2.46 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 0.90 0.00 0.00 0.99 0.00 0.00 4 I 8.26 3.20 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 1.18 0.42 0.91 0.00 0.00 5 L 7.62 4.43 0.00 1.35 1.83 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.27 4.52 0.00 1.58 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.06 4.45 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 8 P 0.00 4.88 0.00 2.25 1.99 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 S 10.25 4.08 0.00 4.06 4.10 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 10 R 7.75 4.17 0.00 1.68 1.85 0.00 3.31 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 L 9.25 3.43 0.00 1.76 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.14 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 13 K 8.32 4.46 0.00 1.68 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.52 7.81 14 T 7.84 4.13 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 15 G 8.23 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.93 0.00 1.96 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 2.17 2.15 0.00 17 V 8.06 4.17 2.09 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 0.73 0.00 0.00 0.94 0.00 0.00 18 V 7.21 4.48 2.09 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 0.89 0.00 0.00 0.94 0.00 0.00 19 S 8.31 4.57 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 3.70 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 0.83 0.00 0.00 0.95 0.00 0.00 21 K 7.74 4.25 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 D 8.46 4.58 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 4.10 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 24 Y 7.52 4.46 0.00 2.90 3.09 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 0.00 0.00 0.00 0.00 25 A 7.08 4.29 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 26 R 7.54 4.14 0.00 1.75 1.83 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 N 7.70 4.30 0.00 1.64 1.57 0.00 0.00 6.96 7.68 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 28 W 8.10 5.11 0.00 3.24 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.34 0.00 1.74 1.55 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 6.99 4.32 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.32 0.85 0.00 0.00 31 P 0.00 4.85 0.00 2.16 2.08 0.00 3.43 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 1.91 2.06 0.00 32 Q 7.64 4.40 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 33 G 8.52 4.06 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 0.00 0.00 0.00 34 L 7.45 5.29 0.00 1.55 1.49 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.88 4.23 1.20 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 0.00 0.00 36 V 8.79 3.28 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 0.74 0.00 0.00 0.94 0.00 0.00 37 S 8.59 3.90 0.00 4.10 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 38 A 7.91 4.42 1.21 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 0.00 0.00 39 T 7.81 4.84 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 1.25 0.00 0.00 40 R 8.47 4.50 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 41 T 7.57 4.35 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 42 N 7.63 5.25 0.00 2.78 2.86 0.00 0.00 6.12 7.66 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 43 M 7.53 4.75 0.00 1.99 2.04 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 2.54 2.47 0.00 44 K 8.93 4.64 0.00 1.90 1.73 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.18 7.81 45 T 7.89 4.51 4.36 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 1.25 0.00 0.00 46 L 7.29 5.06 0.00 1.59 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.03 5.87 0.00 2.02 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 2.05 2.10 0.00 48 A 6.89 4.62 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 49 Q 7.08 4.71 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 50 L 8.07 4.30 0.00 1.58 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.57 4.24 0.00 1.79 1.76 0.00 3.41 0.00 0.00 3.15 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 52 S 8.80 4.06 0.00 3.98 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00