NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1809 8.2549 117.2634 54.7760 31.1182 174.9303 2 P 4.0382 0.0000 0.0000 60.5064 32.0009 176.2478 3 D 4.3514 8.4707 121.4781 56.3474 40.4348 178.3133 4 F 4.4307 7.8784 114.1139 59.1524 38.0584 177.6343 5 C 4.5779 7.3828 118.0006 59.1883 40.0632 174.2562 6 L 4.3967 7.6741 117.5795 54.7000 41.7525 176.6321 7 E 4.3541 7.6616 119.6105 54.7384 30.2404 174.9865 8 P 4.4482 0.0000 0.0000 61.6558 32.0774 174.4744 9 P 3.6522 0.0000 0.0000 62.7295 31.3984 175.3314 10 Y 4.6160 7.7890 121.7963 56.0526 39.7177 175.3434 11 T 4.1625 8.2821 125.5789 65.1740 68.8013 176.0977 12 G 3.6948 6.8521 104.8180 44.0931 0.0000 171.2234 13 P 4.3398 0.0000 0.0000 64.6375 32.0865 177.7610 14 C 4.5015 7.8569 116.6295 56.9224 40.7341 173.5014 15 K 4.1622 8.1836 119.6062 56.2053 32.1709 176.5491 16 A 4.3270 7.7916 121.6247 51.2664 21.0680 177.6258 17 R 4.5313 8.3066 118.3746 54.3565 31.0543 172.7967 18 I 4.4706 8.4541 124.7539 58.8907 40.1005 174.5370 19 I 4.2844 8.3238 128.4467 60.9866 37.9041 175.3760 20 R 4.7470 8.3168 125.0104 54.6181 34.8477 173.6575 21 Y 5.7105 9.5628 117.5436 56.7420 41.0143 175.3892 22 F 5.7315 9.3923 116.3090 55.5632 42.0676 172.8147 23 Y 4.2687 10.0091 123.5853 57.3479 40.0051 173.6272 24 N 4.6790 8.3807 126.9334 51.9171 39.4338 175.2633 25 A 3.8401 8.6385 129.6020 55.1723 18.7580 178.2643 26 K 3.8500 8.2292 114.7442 59.2998 30.7788 177.2908 27 A 4.1594 8.0402 119.8791 51.8970 19.3754 178.4128 28 G 3.8902 8.6828 103.7457 45.1758 0.0000 172.6482 29 L 4.6458 6.6371 118.5361 54.4948 44.5817 173.5711 30 C 4.9304 8.5787 116.5496 56.4569 42.5999 173.3549 31 Q 4.8467 8.5002 121.7200 54.5140 33.0461 173.9599 32 T 5.2519 8.5204 109.5428 60.8491 71.2342 173.6476 33 F 4.9860 8.7725 116.7830 55.9214 42.1135 172.9660 34 V 4.3683 8.4031 119.6656 61.8740 32.3436 174.1620 35 Y 4.7577 8.8747 130.3477 56.1966 40.1909 176.4781 36 G 3.8621 8.3068 113.3468 46.3666 0.0000 175.0382 37 G 3.8589 6.6359 107.0848 45.2193 0.0000 172.2551 38 C 4.8719 7.0391 111.9761 54.9921 44.4610 173.2049 39 R 3.8048 8.8111 116.5064 57.0671 27.1484 176.8919 40 A 4.2533 8.2957 118.8105 52.5386 19.1192 178.1332 41 K 4.4094 8.2459 120.4313 54.7037 34.1918 177.1715 42 R 3.5583 8.0746 117.9645 59.0121 30.4044 177.6076 43 N 4.7341 7.7935 117.9521 51.4782 37.4778 174.6226 44 N 5.0955 6.6109 116.6215 52.8021 41.5394 173.0715 45 F 5.0746 9.6329 124.9625 55.5654 42.2619 176.7628 46 K 4.5292 8.8904 122.8392 58.3803 32.6181 177.7760 47 S 4.5444 7.8180 112.7999 55.4894 67.2936 174.6384 48 A 3.3784 7.4628 125.1923 54.9422 18.1644 179.9406 49 E 3.8179 7.8292 115.7161 59.7972 29.5930 179.0735 50 D 4.2849 7.9471 119.6776 56.7830 40.7833 177.9347 51 C 2.0000 7.6208 119.0308 59.3744 43.7570 175.6792 52 M 3.7872 8.2765 120.5287 58.0516 31.2218 178.8437 53 R 3.7742 7.6562 118.2755 59.7346 30.3716 178.4709 54 T 4.1189 7.6786 114.2997 65.9467 68.6840 175.3755 55 C 4.6094 7.8578 115.1341 56.1426 41.2469 174.2238 56 G 3.6097 7.8135 115.3898 45.7824 0.0000 173.4306 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 R 8.25 4.18 0.00 1.70 1.84 0.00 2.89 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 2 P 0.00 4.04 0.00 1.05 1.68 0.00 3.26 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 3 D 8.47 4.35 0.00 2.82 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 4 F 7.88 4.43 0.00 3.22 3.39 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 5 C 7.38 4.58 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.40 0.00 1.77 1.75 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.66 4.35 0.00 2.19 1.91 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 2.40 2.43 0.00 8 P 0.00 4.45 0.00 2.11 2.03 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 P 0.00 3.65 0.00 0.49 0.49 0.00 3.34 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 10 Y 7.79 4.62 0.00 2.78 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.16 4.13 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 1.16 0.00 0.00 12 G 6.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.17 2.18 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 14 C 7.86 4.50 0.00 2.78 2.96 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 15 K 8.18 4.16 0.00 1.66 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 7.79 4.33 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 17 R 8.31 4.53 0.00 1.72 1.76 0.00 3.16 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 18 I 8.45 4.47 2.01 0.00 0.00 0.78 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 0.72 0.97 0.00 0.00 19 I 8.32 4.28 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.71 0.00 0.00 20 R 8.32 4.75 0.00 0.96 1.93 0.00 3.42 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 21 Y 9.56 5.71 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.39 5.73 0.00 3.18 3.10 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 23 Y 10.01 4.27 0.00 3.11 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 24 N 8.38 4.68 0.00 2.15 2.41 0.00 0.00 6.64 7.58 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 25 A 8.64 3.84 1.36 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 0.00 0.00 0.00 26 K 8.23 3.85 0.00 1.72 2.03 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 27 A 8.04 4.16 1.19 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 0.00 0.00 28 G 8.68 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 0.00 0.00 0.00 29 L 6.64 4.65 0.00 1.72 1.71 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.58 4.93 0.00 2.87 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 4.85 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 32 T 8.52 5.25 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 0.65 0.00 0.00 33 F 8.77 4.99 0.00 2.92 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 34 V 8.40 4.37 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 0.71 0.00 0.00 0.89 0.00 0.00 35 Y 8.87 4.76 0.00 2.51 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.86 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 0.00 0.00 0.00 37 G 6.64 3.86 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 0.00 0.00 0.00 38 C 7.04 4.87 0.00 3.06 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 39 R 8.81 3.80 0.00 2.17 2.25 0.00 3.29 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.30 4.25 0.94 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 41 K 8.25 4.41 0.00 1.75 1.68 0.00 1.32 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.10 1.10 7.81 42 R 8.07 3.56 0.00 1.13 0.66 0.00 2.29 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.27 0.00 43 N 7.79 4.73 0.00 3.13 2.87 0.00 0.00 6.69 7.79 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 44 N 6.61 5.10 0.00 2.67 2.56 0.00 0.00 7.08 7.02 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 45 F 9.63 5.07 0.00 3.27 3.03 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 0.00 0.00 0.00 46 K 8.89 4.53 0.00 1.84 1.96 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.82 4.54 0.00 4.11 3.90 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 0.00 0.00 0.00 48 A 7.46 3.38 0.84 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 0.00 0.00 49 E 7.83 3.82 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 50 D 7.95 4.28 0.00 2.84 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 51 C 7.62 2.00 0.00 2.76 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 52 M 8.28 3.79 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 53 R 7.66 3.77 0.00 1.75 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.68 4.12 4.30 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 1.63 0.00 0.00 55 C 7.86 4.61 0.00 2.74 2.31 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 56 G 7.81 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