NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1754 8.4401 120.2170 56.0155 30.3411 174.9779 2 A 3.7019 8.4423 128.1971 50.4348 19.0306 173.4742 3 E 3.7957 8.0375 122.8643 56.9276 30.9623 175.4132 4 K 4.5918 8.2841 120.8369 55.5012 35.0839 176.5558 5 C 4.7985 8.3186 117.3036 56.2063 42.5676 173.1207 6 T 4.2058 8.3876 108.7846 63.9793 69.3465 175.5591 7 K 4.2653 7.6885 120.1422 54.1538 33.0310 174.8353 8 P 4.3168 0.0000 0.0000 63.2172 31.3093 173.7755 9 N 3.1400 8.0205 113.7149 53.3495 37.4790 172.4592 10 E 4.0107 7.8350 129.6593 57.2743 30.6487 175.8850 11 Q 4.6890 9.1315 125.2945 53.0764 33.4809 173.9876 12 W 4.5509 8.8295 131.8673 58.0841 31.4540 174.9560 13 T 4.4706 7.0053 120.3736 60.4342 69.9974 174.6649 14 K 3.9338 8.7191 126.8032 57.9433 32.6592 177.5518 15 C 4.7723 7.7984 117.3562 54.8409 39.8178 173.2059 16 G 3.7276 8.2110 122.7480 46.1729 0.0000 171.0814 17 G 3.9645 8.3174 111.8896 45.4616 0.0000 172.9047 18 C 4.7164 7.3915 117.5499 55.3926 36.4137 172.8403 19 E 4.3051 8.1025 121.4358 56.4361 34.9960 173.2744 20 G 5.1160 8.8892 104.5157 43.6428 0.0000 171.0033 21 T 4.5766 8.4319 108.8960 60.0889 71.8584 173.6679 22 C 3.9783 8.5365 117.7922 57.1223 43.1257 173.3107 23 A 4.5256 7.8955 118.4653 51.9648 20.3857 177.2748 24 Q 4.4789 8.1830 114.9098 53.7112 30.9107 174.7311 25 K 3.9070 8.7617 124.6924 58.9213 32.4935 176.3136 26 I 5.0097 7.4985 118.0424 59.3705 40.3935 175.2952 27 V 4.3085 8.2311 127.3795 59.4615 32.8047 174.3972 28 P 4.4182 0.0000 0.0000 63.4738 31.4860 176.3851 29 C 4.9800 8.5552 120.2632 55.6456 40.5406 174.7050 30 T 4.3561 8.1121 115.6481 61.6576 69.6320 176.3925 31 R 4.3496 8.2095 117.8847 57.1628 30.0447 177.5650 32 E 4.4324 8.3648 117.4805 55.0517 28.2631 174.5385 33 C 4.9584 7.6533 115.6741 54.7331 38.7836 175.1027 34 K 4.2108 8.3710 124.1314 55.8003 33.0207 174.8953 35 P 4.3550 0.0000 0.0000 62.2313 32.1138 174.1987 36 P 4.0777 0.0000 0.0000 63.2943 31.6117 175.7504 37 R 4.0845 7.2812 122.6060 55.3232 34.4859 172.7437 38 C 4.4914 8.9785 120.3046 57.7855 36.9819 173.1043 39 E 4.5496 8.6040 122.6018 56.0658 34.2215 174.1103 40 C 4.6551 8.8091 119.9173 56.7523 39.2557 173.6705 41 I 4.6767 8.0125 121.3651 59.7478 39.9512 176.2472 42 A 4.0861 9.7058 132.3189 55.0178 18.5266 179.2015 43 S 4.2202 8.2332 108.4874 60.3412 62.6892 174.4574 44 A 4.4329 9.0093 121.5074 54.9497 19.6338 176.5175 45 G 3.2988 7.8562 104.6492 45.1895 0.0000 172.3350 46 F 4.7110 7.7994 119.1542 56.0598 40.3784 175.7694 47 V 4.4208 8.7315 115.5129 59.5612 35.6827 174.5308 48 R 4.9478 7.7791 120.6806 54.4671 31.3341 176.5338 49 D 4.4027 9.2276 124.2514 53.5041 41.9410 176.6964 50 A 4.0425 7.9522 127.7408 55.5328 18.3694 178.5136 51 Q 4.3394 8.3202 113.1606 55.6810 28.6466 175.8170 52 G 3.9845 8.3373 105.2474 46.9491 0.0000 173.8129 53 N 4.9509 7.8299 115.7508 50.8693 41.6039 174.9931 54 C 5.0415 8.8407 125.2648 56.4763 44.0283 172.5460 55 I 5.3510 9.1313 118.9525 58.8931 41.0582 174.7773 56 K 3.9834 9.1925 123.0320 56.5752 32.9832 177.7883 57 F 3.9576 8.3559 122.3381 61.2910 39.4470 177.5592 58 E 4.1314 8.1944 118.9830 59.1613 29.4303 177.0628 59 D 4.7674 7.6537 117.1954 54.5826 40.6276 175.9532 60 C 4.5952 7.7733 117.0596 55.5284 40.8583 171.9371 61 P 4.4859 0.0000 0.0000 62.4798 31.4421 176.6124 62 K 4.0287 8.7563 118.0928 57.3055 31.9489 176.6486 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 E 8.44 4.18 0.00 1.90 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 0.00 2.19 2.36 0.00 2 A 8.44 3.70 1.13 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 0.00 0.00 3 E 8.04 3.80 0.00 1.64 1.83 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 0.00 2.12 2.02 0.00 4 K 8.28 4.59 0.00 1.86 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 5 C 8.32 4.80 0.00 3.03 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 6 T 8.39 4.21 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 1.22 0.00 0.00 7 K 7.69 4.27 0.00 1.74 1.76 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.41 7.81 8 P 0.00 4.32 0.00 2.21 2.14 0.00 3.91 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 2.01 2.01 0.00 9 N 8.02 3.14 0.00 2.76 2.48 0.00 0.00 6.80 7.74 0.00 0.00 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 E 7.83 4.01 0.00 1.78 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 2.24 2.26 0.00 11 Q 9.13 4.69 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 12 W 8.83 4.55 0.00 3.67 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 13 T 7.01 4.47 4.07 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 0.98 0.00 0.00 14 K 8.72 3.93 0.00 1.82 1.88 0.00 2.00 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.79 7.81 15 C 7.80 4.77 0.00 2.85 2.90 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 16 G 8.21 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 0.00 0.00 0.00 17 G 8.32 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 18 C 7.39 4.72 0.00 2.85 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 19 E 8.10 4.31 0.00 2.02 1.62 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 2.24 2.35 0.00 20 G 8.89 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.43 4.58 4.18 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 1.18 0.00 0.00 22 C 8.54 3.98 0.00 2.79 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 23 A 7.90 4.53 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 24 Q 8.18 4.48 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 25 K 8.76 3.91 0.00 1.97 1.91 0.00 1.69 0.00 0.00 2.11 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.65 7.81 26 I 7.50 5.01 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.92 0.00 0.00 27 V 8.23 4.31 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 0.81 0.00 0.00 0.93 0.00 0.00 28 P 0.00 4.42 0.00 2.09 2.12 0.00 3.75 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 2.01 0.00 29 C 8.56 4.98 0.00 2.92 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 30 T 8.11 4.36 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 31 R 8.21 4.35 0.00 1.84 1.99 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 32 E 8.36 4.43 0.00 1.88 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 2.25 2.24 0.00 33 C 7.65 4.96 0.00 2.81 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 34 K 8.37 4.21 0.00 1.56 1.68 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.37 7.81 35 P 0.00 4.35 0.00 2.04 2.05 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 36 P 0.00 4.08 0.00 2.18 2.12 0.00 3.98 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 37 R 7.28 4.08 0.00 1.72 1.51 0.00 3.10 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 38 C 8.98 4.49 0.00 2.91 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 39 E 8.60 4.55 0.00 1.91 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 40 C 8.81 4.66 0.00 2.96 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 41 I 8.01 4.68 2.03 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 1.04 0.00 0.00 42 A 9.71 4.09 1.37 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 0.00 0.00 0.00 43 S 8.23 4.22 0.00 3.88 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 44 A 9.01 4.43 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.86 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 46 F 7.80 4.71 0.00 3.17 2.95 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 47 V 8.73 4.42 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 0.63 0.00 0.00 48 R 7.78 4.95 0.00 1.65 1.82 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 49 D 9.23 4.40 0.00 2.66 2.51 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 0.00 50 A 7.95 4.04 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 51 Q 8.32 4.34 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 52 G 8.34 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 0.00 0.00 0.00 53 N 7.83 4.95 0.00 2.61 2.70 0.00 0.00 6.61 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 54 C 8.84 5.04 0.00 2.94 2.94 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 55 I 9.13 5.35 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.86 0.99 0.00 0.00 56 K 9.19 3.98 0.00 1.86 1.72 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.82 7.81 57 F 8.36 3.96 0.00 3.19 2.89 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 58 E 8.19 4.13 0.00 2.01 2.02 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 2.33 2.34 0.00 59 D 7.65 4.77 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.77 4.60 0.00 3.24 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 61 P 0.00 4.49 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 62 K 8.76 4.03 0.00 1.77 1.82 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81