NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3149 8.1631 117.3743 62.9632 69.8828 173.5199 2 G 3.4899 8.5869 115.6626 45.3083 0.0000 171.7564 3 A 4.4133 8.1377 124.0773 52.1290 21.2573 176.4920 4 G 4.3186 7.3011 108.5076 44.6918 0.0000 176.0049 5 T 3.8794 9.0660 121.7088 65.9406 68.5451 173.9353 6 P 4.2524 0.0000 0.0000 65.8384 31.5830 177.7690 7 S 4.5118 8.1714 113.2397 59.4229 63.1012 175.6299 8 Q 4.2663 8.2057 120.2926 57.5818 28.8911 178.4405 9 G 3.6336 7.5251 105.4461 48.1692 0.0000 174.5966 10 K 4.2954 7.9127 116.6535 56.8440 32.4328 178.0959 11 K 4.3799 7.4995 121.0522 55.1387 30.2050 176.0312 12 N 5.0508 7.9850 116.3310 52.4383 38.4254 175.1507 13 T 4.4363 7.9184 114.5106 63.2485 69.9905 174.1833 14 T 4.5165 8.3136 122.0330 62.2112 69.9933 172.5131 15 T 4.2758 7.7306 114.5431 62.7430 71.2601 173.3443 16 H 4.7371 8.2745 117.8183 55.4447 30.1399 175.0802 17 T 4.8231 9.5677 113.0972 59.1487 73.0597 172.9047 18 K 4.1377 8.8414 122.6538 57.6687 32.6415 175.1834 19 C 4.3235 9.0810 128.6143 58.3787 32.2831 174.4585 20 R 3.6962 8.4108 126.3746 59.1495 30.0988 177.5210 21 R 3.7149 7.3075 116.9464 58.2005 30.2238 176.4841 22 C 4.4376 7.9335 108.9027 57.3847 30.9625 174.6761 23 G 3.9353 8.2381 108.6662 45.1934 0.0000 173.4724 24 E 4.2358 7.6779 119.3990 55.0031 30.9626 176.9139 25 K 4.4912 8.1763 125.0719 56.5261 29.7114 176.6745 26 S 4.7789 7.8534 114.1048 58.1446 66.3351 174.6794 27 Y 4.7566 9.0049 123.7798 57.2573 39.4748 174.2848 28 H 4.3941 9.1546 129.2955 56.1184 30.0406 175.6980 29 T 3.6545 8.8197 122.3432 64.2386 67.1267 175.6408 30 K 4.1939 8.1955 119.7904 59.1769 32.6076 178.0780 31 K 3.9857 7.9101 115.3789 56.2943 32.9399 176.5645 32 K 3.2341 8.1540 118.1579 56.4205 29.9420 175.6907 33 V 4.5780 6.3508 116.5355 61.5883 35.3767 172.1890 34 C 5.1161 9.2795 128.1444 58.3842 32.1049 174.3984 35 S 4.4245 8.8880 121.9934 60.1737 63.2230 175.2640 36 S 4.4444 8.2117 115.6215 60.3476 62.7994 174.2867 37 C 4.4814 8.1914 112.5606 57.5889 30.4976 174.9849 38 G 3.9631 8.3937 109.5098 45.0583 0.0000 173.1994 39 F 4.4725 8.1485 122.4021 60.1225 39.5830 175.7168 40 G 3.6786 8.7295 116.2284 44.8000 0.0000 173.5115 41 K 4.3399 8.2482 119.0654 57.0291 33.9414 176.1044 42 S 4.6971 7.7394 110.4429 56.0381 65.2407 173.4166 43 A 4.1961 8.7160 129.9285 55.0204 18.5258 178.5427 44 K 4.2552 7.4154 113.3520 55.9913 32.7968 177.0594 45 R 4.2790 8.2702 121.2587 55.8472 30.7117 176.5980 46 R 3.8591 8.6814 125.5268 56.9458 30.5144 175.2116 47 D 4.4006 7.4961 123.1092 53.6742 44.3565 173.9963 48 Y 4.4605 8.3822 121.2331 55.9241 41.5011 176.5523 49 E 4.0250 8.5649 121.8434 58.6702 29.8412 178.5793 50 W 4.6063 7.5858 113.7011 57.4004 28.4886 176.8086 51 Q 4.3334 7.5494 117.7532 57.4142 28.2713 175.4528 52 S 4.7196 7.5534 110.9985 56.1631 66.5130 173.9345 53 K 4.0426 8.5459 119.7179 56.3853 32.4178 177.9941 54 A 3.9961 8.9362 125.8198 55.4891 18.2563 178.7445 55 G 4.0844 7.9718 101.8762 45.3604 0.0000 173.2349 56 E 4.1797 8.2543 126.6535 56.1353 29.9436 174.7802 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 T 8.16 4.31 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 2 G 8.59 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.14 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 4 G 7.30 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.07 3.88 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 6 P 0.00 4.25 0.00 2.21 2.31 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 7 S 8.17 4.51 0.00 4.20 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 8 Q 8.21 4.27 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 9 G 7.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.30 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 11 K 7.50 4.38 0.00 1.85 1.78 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.37 7.81 12 N 7.98 5.05 0.00 2.77 2.83 0.00 0.00 6.32 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 13 T 7.92 4.44 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 1.20 0.00 0.00 14 T 8.31 4.52 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 T 7.73 4.28 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 16 H 8.27 4.74 0.00 3.08 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.57 4.82 4.34 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 1.33 0.00 0.00 18 K 8.84 4.14 0.00 1.79 1.82 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 C 9.08 4.32 0.00 3.18 2.85 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 20 R 8.41 3.70 0.00 1.56 1.53 0.00 3.17 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 21 R 7.31 3.71 0.00 0.67 1.39 0.00 3.25 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 22 C 7.93 4.44 0.00 3.07 2.98 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 23 G 8.24 3.94 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 0.00 0.00 0.00 24 E 7.68 4.24 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 2.40 2.27 0.00 25 K 8.18 4.49 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 26 S 7.85 4.78 0.00 3.87 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 27 Y 9.00 4.76 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.15 4.39 0.00 3.15 3.04 0.00 5.84 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.82 3.65 4.29 0.00 0.00 0.00 0.00 0.00 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 30 K 8.20 4.19 0.00 1.83 1.83 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 31 K 7.91 3.99 0.00 1.55 1.72 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.50 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 0.96 7.81 32 K 8.15 3.23 0.00 1.77 1.87 0.00 1.88 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.51 7.81 33 V 6.35 4.58 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 0.91 0.00 0.00 0.94 0.00 0.00 34 C 9.28 5.12 0.00 3.41 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.89 4.42 0.00 4.10 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 36 S 8.21 4.44 0.00 3.91 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 37 C 8.19 4.48 0.00 3.16 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 38 G 8.39 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.47 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 3.68 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 0.00 0.00 0.00 41 K 8.25 4.34 0.00 1.67 2.00 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.34 7.81 42 S 7.74 4.70 0.00 3.84 3.73 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 43 A 8.72 4.20 1.31 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 44 K 7.42 4.26 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.27 4.28 0.00 1.65 1.83 0.00 3.37 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 46 R 8.68 3.86 0.00 1.85 1.98 0.00 3.47 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 47 D 7.50 4.40 0.00 2.48 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 0.00 0.00 0.00 0.00 48 Y 8.38 4.46 0.00 1.43 1.46 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 49 E 8.56 4.02 0.00 2.05 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 2.38 2.25 0.00 50 W 7.59 4.61 0.00 3.48 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 51 Q 7.55 4.33 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.21 1.51 0.00 52 S 7.55 4.72 0.00 3.95 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.55 4.04 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.94 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 0.00 0.00 0.00 56 E 8.25 4.18 0.00 1.89 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 2.22 2.25 0.00