NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3009 8.1127 119.7052 56.0865 31.6023 173.5859 5 E 4.7457 8.1944 119.1234 53.2516 32.5479 173.4736 6 C 4.2950 9.5566 127.1385 59.3477 32.7321 173.6101 7 D 4.5405 8.6500 126.6388 55.8148 39.8140 175.6141 8 Y 4.4013 6.9336 118.1432 58.7673 41.6942 176.2409 9 C 3.9962 8.3151 114.3069 59.6984 30.7728 175.7648 10 G 4.0385 8.4700 106.6106 44.7852 0.0000 173.0617 11 T 4.3880 7.6500 110.0360 60.8149 71.0976 173.4630 12 D 4.9958 8.4872 122.4507 53.8525 41.5086 176.4775 13 I 3.9281 8.1319 125.6215 60.7011 37.7715 175.9851 14 E 3.9412 8.9751 129.1620 55.2766 29.8689 174.2128 15 P 4.2752 0.0000 0.0000 64.7582 31.4877 176.2523 16 G 3.9454 10.2166 109.3560 45.8848 0.0000 172.8648 17 T 4.5623 7.5048 113.3991 62.6055 72.6540 173.8856 18 G 4.0956 9.0868 109.6611 45.2639 0.0000 172.7853 19 T 4.8064 8.5765 114.2439 61.6829 72.7156 173.1794 20 M 5.0255 8.7444 123.9581 53.9100 34.3044 174.3661 21 F 4.8746 9.4014 130.1504 57.0906 41.3703 174.3890 22 V 4.3539 7.5712 126.1077 61.3568 32.6077 175.2995 23 H 4.1426 8.9197 126.0875 54.6885 29.6693 176.5777 24 K 3.9955 8.6850 121.6747 59.7451 32.0228 177.7074 25 D 4.3948 8.0011 116.8512 55.8815 39.4806 175.6421 26 G 3.3018 7.3632 106.7146 44.5819 0.0000 173.7484 27 A 4.1565 8.8163 124.4940 52.5383 19.6793 176.5876 28 T 4.9563 8.4175 116.7830 62.0078 71.4064 173.7393 29 T 4.5901 8.9453 123.1998 62.0333 71.6504 172.8075 30 H 4.9782 8.8315 124.5325 55.0105 30.5590 174.4706 31 F 5.4161 9.4814 122.6158 55.9408 41.2931 176.6381 32 C 4.3179 9.1689 117.3925 60.4450 30.6292 173.6652 33 S 4.6853 7.6645 113.7939 55.9005 67.0292 174.6965 34 S 4.3661 8.4367 117.3633 60.5218 62.8053 176.1131 35 K 3.7793 7.9466 122.9040 59.7708 31.9341 178.3974 36 C 4.1687 7.7274 115.8496 62.6732 27.5583 175.9627 37 E 2.5400 7.2353 118.9273 59.0561 29.0436 179.2259 38 N 4.2422 7.9707 116.3661 56.0805 38.3979 177.3024 39 N 4.5321 8.0151 117.8318 55.9917 38.7085 177.3574 40 A 4.1495 7.5798 122.3480 55.1181 18.2335 179.2957 41 D 4.3811 7.7026 116.0332 56.6143 40.9785 177.8831 42 L 4.3842 7.2183 116.3529 54.3770 41.8380 177.5756 43 G 3.9674 7.6672 106.6949 45.7526 0.0000 174.0892 44 R 4.2642 7.6560 118.7649 55.5219 31.0683 175.7396 45 E 4.5389 8.5580 121.0508 54.3412 31.4861 176.8214 46 A 3.4559 8.1832 126.6123 55.2372 18.4100 179.8023 47 R 3.9215 7.6351 113.6027 59.1769 30.2728 177.5843 48 N 4.4820 7.9798 113.6674 54.3670 38.8454 174.8572 49 L 4.6014 7.0697 118.6053 52.8465 43.0858 177.6328 50 E 3.8332 8.7572 123.1864 58.8118 29.7249 178.3545 51 W 4.4156 7.9861 114.9493 58.5591 28.7652 176.7163 52 T 3.9401 6.5459 109.9522 61.0725 68.8354 175.4970 53 D 4.3896 8.4464 123.0389 57.3131 41.3445 178.1286 54 T 3.8487 7.5110 115.1674 66.4950 68.4273 175.7384 55 A 3.9920 7.2308 122.9191 54.6685 18.7841 177.4657 56 R 4.1373 7.5639 115.6628 56.2914 29.7469 176.2960 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 4 R 8.11 4.30 0.00 1.87 1.89 0.00 2.91 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 5 E 8.19 4.75 0.00 1.95 1.76 0.00 0.00 0.00 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 2.49 0.00 6 C 9.56 4.30 0.00 3.10 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 7 D 8.65 4.54 0.00 2.64 2.62 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 0.00 0.00 0.00 0.00 8 Y 6.93 4.40 0.00 2.96 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 9 C 8.32 4.00 0.00 3.13 3.36 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 10 G 8.47 4.04 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 0.00 0.00 0.00 11 T 7.65 4.39 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 1.33 0.00 0.00 12 D 8.49 5.00 0.00 2.61 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 13 I 8.13 3.93 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.97 0.00 0.00 14 E 8.98 3.94 0.00 2.06 1.87 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 2.39 2.38 0.00 15 P 0.00 4.28 0.00 2.22 2.07 0.00 3.84 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 2.00 1.99 0.00 16 G 10.22 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.56 4.51 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 0.00 0.00 0.00 1.24 0.00 0.00 18 G 9.09 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 19 T 8.58 4.81 4.38 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 1.30 0.00 0.00 20 M 8.74 5.03 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.35 0.00 21 F 9.40 4.87 0.00 3.36 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 22 V 7.57 4.35 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 0.74 0.00 0.00 0.84 0.00 0.00 23 H 8.92 4.14 0.00 3.24 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.68 4.00 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 8.00 4.39 0.00 2.81 2.79 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 26 G 7.36 3.30 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 0.00 27 A 8.82 4.16 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 28 T 8.42 4.96 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 1.17 0.00 0.00 29 T 8.95 4.59 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 0.62 0.00 0.00 30 H 8.83 4.98 0.00 3.27 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.48 5.42 0.00 3.13 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 32 C 9.17 4.32 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.66 4.69 0.00 4.02 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 34 S 8.44 4.37 0.00 3.97 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 35 K 7.95 3.78 0.00 1.74 1.82 0.00 1.37 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.38 1.34 7.81 36 C 7.73 4.17 0.00 3.26 3.08 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 37 E 7.24 2.54 0.00 1.75 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 1.47 2.10 0.00 38 N 7.97 4.24 0.00 2.62 2.76 0.00 0.00 7.08 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.02 4.53 0.00 2.99 3.10 0.00 0.00 6.80 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 40 A 7.58 4.15 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 41 D 7.70 4.38 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 4.38 0.00 1.91 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.67 3.97 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 0.00 0.00 0.00 44 R 7.66 4.26 0.00 2.12 1.99 0.00 3.27 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.56 4.54 0.00 1.98 1.79 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 2.33 2.31 0.00 46 A 8.18 3.46 0.48 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 0.00 0.00 47 R 7.64 3.92 0.00 1.72 1.91 0.00 3.14 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 48 N 7.98 4.48 0.00 2.78 2.85 0.00 0.00 6.96 7.20 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 49 L 7.07 4.60 0.00 1.27 1.17 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.76 3.83 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 51 W 7.99 4.42 0.00 3.54 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 52 T 6.55 3.94 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 -0.08 0.00 0.00 53 D 8.45 4.39 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 3.85 4.01 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 1.07 0.00 0.00 55 A 7.23 3.99 1.25 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 56 R 7.56 4.14 0.00 1.90 1.90 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00