NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A P 4.3240 0.0000 0.0000 62.8474 32.5893 175.3560 1B T 4.2855 8.2711 115.5477 60.0004 69.7631 171.5188 1C G 3.9348 8.6539 110.6860 46.2872 0.0000 173.3536 1D N 4.5417 7.8949 117.7648 52.3027 39.1535 174.7073 1 N 4.2660 8.8470 124.5548 56.4646 38.7099 177.0292 2 A 3.8894 8.0536 121.4794 55.1284 18.2065 179.1100 3 E 4.0556 8.1087 115.8531 58.4172 29.8858 178.8556 4 I 4.1033 7.4946 119.6295 64.0286 37.7638 178.6316 5 C 4.5474 8.3032 115.8283 59.1734 40.0709 175.1080 6 L 4.3485 7.4514 118.1287 53.7625 41.8771 176.9305 7 L 4.1837 7.1772 119.8907 53.6019 42.2159 175.3857 8 P 4.4001 0.0000 0.0000 62.1275 32.0105 176.2795 9 L 3.6286 7.7078 119.8663 55.6384 40.7201 176.3654 10 D 4.2831 7.8316 118.8771 52.7958 43.4085 175.6297 11 Y 4.5011 7.9990 125.7546 59.2871 38.2485 177.3648 12 G 4.2488 8.4067 105.7916 45.1674 0.0000 171.0808 13 P 4.4496 0.0000 0.0000 64.8487 32.0333 177.5600 14 C 4.4874 7.9453 115.6547 57.2557 40.6053 173.5119 15 R 4.4688 8.2417 118.2543 56.0308 30.1330 176.1302 16 A 4.4345 7.7219 120.8897 50.9377 21.6094 177.5898 17 L 4.7754 8.0691 117.0610 52.9098 42.3599 174.5982 18 L 4.5276 8.8913 122.0786 52.5598 43.8441 175.4085 19 L 4.2998 8.5661 126.7883 55.4402 42.6986 175.8634 20 R 4.8907 8.8865 124.8094 54.7379 35.3086 173.4560 21 Y 5.6780 9.2956 117.1454 56.7570 41.3084 174.9863 22 Y 5.5948 9.3944 120.5833 55.4654 42.3075 173.4657 23 Y 4.4264 9.7322 123.3524 57.3849 40.1729 173.5714 24 D 4.9342 7.9811 127.5405 52.4977 41.8065 177.2788 25 R 3.8096 8.4551 123.6592 58.8213 29.8412 177.5214 26 Y 4.3791 7.5946 115.6990 59.9039 38.0840 176.2156 27 T 4.2725 7.9884 107.2280 60.8886 70.0606 174.1685 28 Q 3.2313 7.5229 120.6119 55.3919 27.0835 173.2997 29 S 4.7748 6.7268 110.0305 56.9100 67.5031 174.4719 30 C 4.9454 8.8632 118.7138 56.6166 40.2092 173.3345 31 R 4.9386 8.5158 122.5275 54.2729 33.6911 175.0219 32 Q 4.8118 8.7373 119.4887 55.6664 30.1472 175.1906 33 F 5.1301 9.5651 116.6699 55.7489 42.3530 173.1033 34 L 4.8833 8.5647 119.2286 53.2858 42.6684 175.7987 35 Y 4.5279 8.9498 127.3542 56.7193 39.8273 176.6621 36 G 3.7810 8.2156 113.2414 47.9156 0.0000 174.6889 37 G 3.8100 5.9849 106.5271 45.3850 0.0000 172.3358 38 C 5.0209 7.0739 113.2688 54.6609 45.7075 175.0072 39 E 3.5483 9.2027 119.8392 56.9443 27.9395 176.4577 40 G 3.9191 9.0890 115.5944 47.0690 0.0000 170.3651 41 N 4.9167 8.2887 119.5594 51.2638 40.4279 174.1379 42 A 3.9280 8.3564 119.4005 54.0889 19.1741 177.8140 43 N 4.5188 7.8527 116.8260 51.0258 37.3626 174.8005 44 N 4.7703 6.2129 115.1874 53.0247 41.2958 173.1646 45 F 4.8028 8.9300 124.3884 55.7047 42.9792 176.0561 46 Y 4.3782 8.7174 121.2137 60.6595 38.4696 176.6373 47 T 4.6987 7.7656 108.4155 58.4206 73.3809 174.3857 48 W 3.4942 7.5997 131.1684 60.4983 30.7041 177.6073 49 E 3.6420 8.3959 118.4107 59.2290 28.9779 178.5673 50 A 3.8560 7.8611 120.5494 55.1793 18.5153 178.7452 51 C 2.4527 7.4514 116.4769 59.2902 43.4271 175.0950 52 D 3.8317 7.1074 118.4994 57.3468 40.6052 177.8543 53 D 4.3489 7.5550 117.8322 57.3403 40.9371 178.3943 54 A 4.2136 7.7139 120.0072 54.2163 17.3784 177.4855 55 C 4.6264 7.6927 114.1561 56.3167 40.6860 176.1391 56 W 4.0733 8.1723 119.5280 58.7909 28.0076 176.3342 57 R 3.9030 6.2343 119.0828 54.4219 32.2198 173.7904 58 I 4.2556 7.9234 125.4471 59.4748 39.8422 175.2860 59 E 4.1644 8.5994 123.7101 56.3962 29.6015 175.8174 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 1A P 0.00 4.32 0.00 2.15 2.11 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 1B T 8.27 4.29 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 1C G 8.65 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 0.00 0.00 0.00 1D N 7.89 4.54 0.00 2.97 2.70 0.00 0.00 7.06 6.71 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 1 N 8.85 4.27 0.00 2.69 2.71 0.00 0.00 6.95 7.81 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 2 A 8.05 3.89 1.24 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 0.00 0.00 0.00 3 E 8.11 4.06 0.00 2.14 2.01 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 2.32 2.32 0.00 4 I 7.49 4.10 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 1.03 0.00 0.00 5 C 8.30 4.55 0.00 2.70 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 6 L 7.45 4.35 0.00 1.77 1.67 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.18 4.18 0.00 1.72 1.56 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.40 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 9 L 7.71 3.63 0.00 0.61 0.74 0.09 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.83 4.28 0.00 2.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 4.50 0.00 3.15 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 12 G 8.41 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 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.18 2.19 0.00 3.95 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 1.95 1.99 0.00 14 C 7.95 4.49 0.00 2.87 2.99 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 15 R 8.24 4.47 0.00 1.72 1.86 0.00 3.17 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 16 A 7.72 4.43 1.24 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 0.00 0.00 0.00 17 L 8.07 4.78 0.00 1.42 1.49 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.89 4.53 0.00 1.63 1.65 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.57 4.30 0.00 1.61 1.61 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.89 4.89 0.00 0.72 1.79 0.00 3.21 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.00 21 Y 9.30 5.68 0.00 3.18 3.02 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 0.00 0.00 0.00 22 Y 9.39 5.59 0.00 3.11 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 23 Y 9.73 4.43 0.00 3.04 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.93 0.00 2.26 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 25 R 8.46 3.81 0.00 1.79 2.01 0.00 2.89 0.00 0.00 2.78 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 26 Y 7.59 4.38 0.00 3.14 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 27 T 7.99 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 Q 7.52 3.23 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 29 S 6.73 4.77 0.00 3.90 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 30 C 8.86 4.95 0.00 2.72 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 31 R 8.52 4.94 0.00 1.16 1.84 0.00 3.06 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.32 0.00 32 Q 8.74 4.81 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 1.75 2.42 0.00 33 F 9.57 5.13 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.88 0.00 1.41 1.54 0.87 0.74 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 35 Y 8.95 4.53 0.00 2.26 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 36 G 8.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.98 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 0.00 0.00 0.00 38 C 7.07 5.02 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 39 E 9.20 3.55 0.00 2.20 1.60 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 2.23 2.25 0.00 40 G 9.09 3.92 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 0.00 0.00 0.00 41 N 8.29 4.92 0.00 2.71 2.75 0.00 0.00 5.84 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.36 3.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.52 0.00 2.92 2.84 0.00 0.00 6.89 7.83 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 44 N 6.21 4.77 0.00 2.52 2.37 0.00 0.00 7.07 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 8.93 4.80 0.00 3.22 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 46 Y 8.72 4.38 0.00 3.14 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 47 T 7.77 4.70 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 1.34 0.00 0.00 48 W 7.60 3.49 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.64 0.00 2.24 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 2.33 2.39 0.00 50 A 7.86 3.86 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 0.00 0.00 51 C 7.45 2.45 0.00 2.77 2.81 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 52 D 7.11 3.83 0.00 1.58 1.92 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 53 D 7.55 4.35 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.71 4.21 1.16 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 0.00 0.00 55 C 7.69 4.63 0.00 2.79 2.24 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 0.00 56 W 8.17 4.07 0.00 3.53 3.38 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 57 R 6.23 3.90 0.00 0.67 0.66 0.00 2.58 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.03 0.00 58 I 7.92 4.26 1.68 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.77 0.00 0.00 59 E 8.60 4.16 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00