NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3278 8.2393 119.7092 55.7327 30.7911 173.7183 2 K 4.2641 8.3061 124.8403 57.2442 35.2024 175.0350 3 C 5.4680 9.5353 117.5332 54.6296 40.8315 175.4526 4 N 4.8752 8.2825 116.0440 53.3463 37.9094 175.4906 5 K 5.0508 7.5945 116.3054 55.3347 36.1952 174.7754 6 L 4.5946 8.7612 119.9278 55.7804 43.4468 177.1686 7 V 4.6908 7.3646 120.6488 61.5543 32.8806 175.1549 8 P 4.6522 0.0000 0.0000 65.2366 31.3790 177.1300 9 L 4.8179 7.8204 112.8012 54.7412 42.2315 175.8945 10 F 4.8057 8.3810 118.8170 57.0071 41.1565 174.1483 11 Y 5.2613 7.5881 117.7576 56.2346 40.8527 173.7029 12 K 4.6727 9.3644 120.1743 55.9755 37.4920 174.5857 13 T 4.9363 8.4082 111.1536 60.4812 71.3179 174.1478 14 C 5.1301 8.5511 119.3465 53.6351 43.1326 173.7901 15 P 4.7628 0.0000 0.0000 62.9353 29.6978 176.9665 16 A 4.6823 8.6817 119.2606 51.6309 19.7963 176.4121 17 G 4.0928 8.2591 104.7337 46.3602 0.0000 174.0173 18 K 4.6573 7.5581 117.6540 54.6242 35.3238 174.4924 19 N 4.6026 8.0663 117.9526 53.0008 39.7324 178.7029 20 L 5.0440 7.1831 122.6622 55.4175 44.6072 175.2248 21 C 5.0795 8.4269 116.6778 56.1968 48.4480 173.8006 22 Y 5.3017 8.8707 121.5873 55.4183 41.7052 173.7820 23 K 3.9714 8.1798 121.4935 54.6369 33.9362 175.3891 24 M 4.2040 7.1146 125.4911 54.8750 33.4807 174.6635 25 F 5.6061 8.6884 126.4845 56.1821 43.1824 173.7693 26 M 5.5707 8.6576 116.8280 53.6496 35.7860 175.6613 27 V 4.2736 8.6101 117.4652 63.0299 33.2052 176.1380 28 S 4.5236 8.0565 113.3221 58.9762 63.2693 172.4230 29 N 5.0965 7.7195 118.5146 51.8319 41.4600 173.0723 30 L 4.5698 8.3838 116.6800 54.8388 43.2789 176.7809 31 T 4.8049 6.9234 109.3672 62.1353 70.6504 171.8577 32 V 4.0154 7.8383 123.2714 63.4151 36.5873 172.0595 33 P 3.8205 0.0000 0.0000 62.5118 31.4793 174.5088 34 V 4.5672 8.1541 120.0014 63.0547 39.0032 175.2151 35 K 4.3540 8.3953 117.0454 56.3323 37.0146 173.6772 36 R 3.8493 7.9448 119.5400 56.4958 33.3232 174.2290 37 G 4.0205 7.6882 107.2758 45.8166 0.0000 171.1843 38 C 5.2706 8.5546 119.8374 55.4701 45.0677 172.5114 39 I 4.6180 7.8253 118.9637 60.6223 40.6679 174.8129 40 D 4.7573 8.5785 119.9934 55.0284 43.0885 176.7999 41 V 4.3568 7.4198 109.9724 59.7297 35.4699 174.9724 42 C 4.7951 8.6462 124.4784 54.4104 44.6531 171.2863 43 P 4.7609 0.0000 0.0000 62.4417 29.5784 179.7184 44 K 4.7513 8.5704 119.2940 54.5205 34.5296 174.2419 45 N 4.9091 8.2550 114.9459 52.3385 42.1683 174.4392 46 S 4.5407 7.8470 117.1110 57.6472 64.8202 174.0633 47 A 4.6926 8.3599 121.5961 52.4249 18.8554 177.3781 48 L 4.7408 7.9612 119.8397 56.7083 44.6538 177.0769 49 V 4.7166 7.6637 110.3440 59.4019 36.0041 175.5280 50 K 4.5766 9.0065 124.6960 55.7563 32.8020 176.0388 51 Y 4.4736 8.8653 124.4529 57.4190 38.0826 176.4130 52 V 4.4743 8.2237 121.4781 59.6275 30.5748 173.4397 53 C 5.1940 8.3798 118.3729 55.7444 39.5909 172.3034 54 C 5.0657 8.5126 112.4748 54.9710 44.8482 173.8078 55 N 5.6903 9.0541 115.4369 52.1664 37.6856 175.0542 56 T 4.4127 7.5483 110.4423 61.1487 70.3572 174.2003 57 D 4.3483 8.5914 119.4025 57.8475 41.1087 178.5166 58 R 4.5751 7.9207 116.1741 55.7879 29.8354 177.4839 59 C 5.1126 7.8584 115.4923 56.8666 48.7943 173.9561 60 N 4.4453 7.8612 120.7147 53.6110 36.6190 174.7437 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 8.24 4.33 0.00 1.74 1.79 0.00 3.22 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 2 K 8.31 4.26 0.00 2.16 1.79 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.67 7.81 3 C 9.54 5.47 0.00 3.03 3.19 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 4 N 8.28 4.88 0.00 2.72 2.89 0.00 0.00 6.73 7.51 0.00 0.00 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 K 7.59 5.05 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.60 7.81 6 L 8.76 4.59 0.00 1.59 1.47 0.99 0.78 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 7 V 7.36 4.69 1.85 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 0.99 0.00 0.00 0.20 0.00 0.00 8 P 0.00 4.65 0.00 2.30 2.22 0.00 4.05 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 9 L 7.82 4.82 0.00 1.71 1.79 0.75 0.79 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 10 F 8.38 4.81 0.00 3.09 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 11 Y 7.59 5.26 0.00 3.01 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 12 K 9.36 4.67 0.00 1.66 1.68 0.00 1.32 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 13 T 8.41 4.94 4.27 0.00 0.00 0.00 0.00 0.00 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 14 C 8.55 5.13 0.00 2.86 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 15 P 0.00 4.76 0.00 2.18 1.64 0.00 3.72 0.00 0.00 3.66 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 16 A 8.68 4.68 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 G 8.26 4.09 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 0.00 0.00 0.00 18 K 7.56 4.66 0.00 1.69 1.77 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.52 7.81 19 N 8.07 4.60 0.00 2.71 2.73 0.00 0.00 6.83 7.48 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 20 L 7.18 5.04 0.00 1.95 1.95 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.43 5.08 0.00 2.97 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 22 Y 8.87 5.30 0.00 2.89 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 23 K 8.18 3.97 0.00 0.79 0.92 0.00 1.95 0.00 0.00 2.05 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.22 1.07 7.81 24 M 7.11 4.20 0.00 1.81 1.61 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 2.71 2.58 0.00 25 F 8.69 5.61 0.00 2.98 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 26 M 8.66 5.57 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 27 V 8.61 4.27 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 0.81 0.00 0.00 0.98 0.00 0.00 28 S 8.06 4.52 0.00 3.91 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 29 N 7.72 5.10 0.00 2.65 2.71 0.00 0.00 6.98 7.78 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 30 L 8.38 4.57 0.00 1.65 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 T 6.92 4.80 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 V 7.84 4.02 1.94 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 0.49 0.00 0.00 0.84 0.00 0.00 33 P 0.00 3.82 0.00 2.17 1.84 0.00 3.70 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 34 V 8.15 4.57 2.21 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 0.72 0.00 0.00 1.12 0.00 0.00 35 K 8.40 4.35 0.00 1.61 1.38 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 1.20 7.81 36 R 7.94 3.85 0.00 1.36 1.49 0.00 3.17 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 0.00 37 G 7.69 4.02 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 0.00 0.00 0.00 38 C 8.55 5.27 0.00 2.97 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 39 I 7.83 4.62 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.97 0.00 0.00 40 D 8.58 4.76 0.00 2.59 2.63 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 41 V 7.42 4.36 2.06 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 0.67 0.00 0.00 0.90 0.00 0.00 42 C 8.65 4.80 0.00 2.95 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 43 P 0.00 4.76 0.00 2.14 1.13 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 44 K 8.57 4.75 0.00 1.68 1.76 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 45 N 8.26 4.91 0.00 2.70 2.78 0.00 0.00 6.80 7.62 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 46 S 7.85 4.54 0.00 3.66 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 47 A 8.36 4.69 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.74 0.00 1.60 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.66 4.72 2.33 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 1.03 0.00 0.00 1.17 0.00 0.00 50 K 9.01 4.58 0.00 1.93 2.01 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.73 7.81 51 Y 8.87 4.47 0.00 2.80 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 52 V 8.22 4.47 2.17 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 0.83 0.00 0.00 1.03 0.00 0.00 53 C 8.38 5.19 0.00 3.06 3.24 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 54 C 8.51 5.07 0.00 3.01 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 55 N 9.05 5.69 0.00 2.94 2.91 0.00 0.00 6.60 7.73 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 56 T 7.55 4.41 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 57 D 8.59 4.35 0.00 2.81 2.82 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 58 R 7.92 4.58 0.00 1.88 1.93 0.00 3.15 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 59 C 7.86 5.11 0.00 2.95 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 60 N 7.86 4.45 0.00 2.76 3.01 0.00 0.00 6.16 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