NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9560 8.3544 109.7364 45.4148 0.0000 172.3281 2 S 4.4755 7.7367 116.5781 56.0931 66.1859 171.8738 3 S 4.4294 8.9289 120.7301 59.8130 63.7909 173.9424 4 G 4.1776 7.5058 105.1073 44.8668 0.0000 172.3354 5 S 4.6691 8.4098 114.6222 58.0985 62.8827 174.4879 6 S 4.5998 8.8289 114.7824 56.5038 66.7495 174.6689 7 G 4.2900 8.6231 120.2967 46.4861 0.0000 172.6530 8 C 4.0446 5.7800 121.8487 58.2185 33.2606 173.0393 9 A 4.3754 7.9072 134.2808 51.2690 17.2244 176.7262 10 G 4.5041 7.4476 111.5946 47.1358 0.0000 173.4749 11 C 4.4953 8.1257 114.5261 57.8918 30.4314 173.8828 12 T 3.5615 7.9629 107.4163 62.9882 67.4704 171.0173 13 N 5.2363 7.4623 115.3460 51.7849 43.8722 173.7095 14 P 4.7540 0.0000 0.0000 63.1432 32.3213 175.5914 15 I 4.2579 7.9970 121.7888 60.2161 38.3989 175.8995 16 S 3.8390 9.0872 120.6362 61.2623 63.0359 175.4343 17 G 3.7834 7.3354 106.4795 46.5455 0.0000 172.1352 18 L 4.3108 7.0724 118.1990 54.6794 44.1403 176.5203 19 G 4.2731 7.7635 101.9746 44.3023 0.0000 174.4506 20 G 4.2549 8.3401 109.9607 46.8559 0.0000 171.1614 21 T 4.6891 7.5158 116.0208 62.0550 71.8278 175.7671 22 K 4.3921 8.5420 124.8286 56.5052 31.2322 175.6212 23 Y 4.9192 7.6602 116.3136 55.3468 41.5641 176.4644 24 I 4.0671 8.3989 121.4009 60.0663 38.7843 175.0762 25 S 4.9135 8.2936 121.3308 56.4873 64.9339 173.3228 26 F 5.1068 8.8706 126.5530 56.0012 41.9752 175.4216 27 E 3.7538 6.0558 122.3833 58.8863 29.2727 178.3516 28 E 4.4149 8.0057 113.1959 57.8467 32.5201 176.5955 29 R 4.0613 8.1390 116.5428 56.1708 31.2686 174.5486 30 Q 4.7201 6.4078 116.2005 55.5132 33.9058 173.2234 31 W 4.8722 8.9737 119.1695 57.0903 34.4062 173.3754 32 H 5.3864 8.8152 117.0989 54.2688 30.8007 176.0035 33 N 4.3900 9.1427 117.9063 55.9554 39.1100 174.5269 34 D 4.8089 8.1430 114.7313 56.2880 42.9500 176.5701 35 C 4.1531 8.4434 114.7976 63.0634 28.4030 173.4989 36 F 4.3719 8.4407 123.5265 58.8655 37.9745 173.6239 37 N 5.0971 7.7051 119.6039 50.6025 43.0561 173.3000 38 C 3.6540 8.3253 122.5535 59.7647 32.7976 174.1663 39 K 4.3622 8.1093 119.5493 56.0216 32.6214 176.1865 40 K 4.3385 8.0180 117.5030 58.1858 33.6909 176.1100 41 C 4.6028 7.8801 108.9160 57.0461 30.3422 173.3772 42 S 4.2924 7.7231 114.3510 58.4652 60.3335 171.7971 43 L 4.2418 7.3152 120.0352 53.6086 43.2334 175.2059 44 S 4.4319 8.4511 117.7326 58.8541 62.5130 173.7603 45 L 4.3020 8.0409 127.5444 54.8816 42.6244 176.6801 46 V 3.8652 7.8049 118.1064 63.9081 30.9918 175.8898 47 G 3.9281 9.6002 113.5453 45.9001 0.0000 171.9947 48 R 4.7317 8.0533 118.0251 54.5285 34.4000 175.3094 49 G 3.9376 8.3556 106.3919 44.5612 0.0000 173.3425 50 F 4.2864 8.0936 113.4330 57.4666 38.8935 175.1149 51 L 4.8393 8.7967 119.6242 53.0989 44.8061 176.2678 52 T 4.4069 8.1801 109.0285 60.2805 69.9398 173.6573 53 E 4.2370 9.5532 129.0850 55.1440 30.1239 176.8858 54 R 3.7812 7.6788 117.5631 59.3702 30.4874 177.1407 55 D 5.0374 7.6779 116.9930 53.7027 42.4262 175.1944 56 D 4.6874 7.7276 117.3459 53.6326 45.2085 174.0932 57 I 4.7113 7.8114 113.2776 59.7993 41.0129 174.0967 58 L 4.5047 7.9483 121.2871 54.1803 46.6616 173.9617 59 C 4.8381 8.3080 114.1934 56.1397 32.1943 173.0383 60 P 4.2000 0.0000 0.0000 66.0030 30.5860 178.2650 61 D 4.2842 7.9305 114.9880 57.6861 41.5350 177.8114 62 C 4.3252 7.9955 116.6059 62.8366 28.1519 175.8681 63 G 3.8479 8.3871 106.4570 48.2431 0.0000 175.3123 64 K 4.1462 8.1424 119.6482 58.0104 33.0549 177.5066 65 D 4.8702 7.7730 117.7061 53.1823 40.8754 176.8637 66 I 3.9958 7.4471 120.2224 60.9142 37.9085 176.5123 67 S 4.0619 8.9867 122.8550 60.4952 62.8788 176.4199 68 G 3.8763 7.9287 107.4619 43.8327 0.0000 170.2257 69 P 4.4527 0.0000 0.0000 61.9978 32.3166 176.2293 70 S 4.2512 8.4154 112.6331 58.9460 60.2036 172.9375 71 S 4.7135 7.9103 120.0794 55.3359 66.4366 174.9113 72 G 4.1719 8.7318 107.9876 46.1523 0.0000 173.3176 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 G 8.35 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 2 S 7.74 4.48 0.00 3.85 3.67 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 0.00 0.00 0.00 0.00 3 S 8.93 4.43 0.00 3.85 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 0.00 4 G 7.51 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 0.00 0.00 0.00 0.00 5 S 8.41 4.67 0.00 3.82 3.83 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 0.00 0.00 0.00 6 S 8.83 4.60 0.00 3.80 3.68 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 7 G 8.62 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 5.78 4.04 0.00 2.63 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 9 A 7.91 4.38 0.73 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 10 G 7.45 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 4.50 0.00 3.14 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 12 T 7.96 3.56 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 1.23 0.00 0.00 13 N 7.46 5.24 0.00 2.69 2.70 0.00 0.00 6.84 7.92 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 14 P 0.00 4.75 0.00 2.03 2.01 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 15 I 8.00 4.26 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.40 0.55 0.00 0.00 16 S 9.09 3.84 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 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 18 L 7.07 4.31 0.00 1.54 1.66 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.76 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 0.00 0.00 0.00 0.00 20 G 8.34 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 21 T 7.52 4.69 4.39 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 1.28 0.00 0.00 22 K 8.54 4.39 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 23 Y 7.66 4.92 0.00 3.18 2.93 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 24 I 8.40 4.07 1.41 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 -0.25 0.00 0.00 25 S 8.29 4.91 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.87 5.11 0.00 3.33 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.06 3.75 0.00 1.16 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 28 E 8.01 4.41 0.00 2.00 1.95 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 2.17 2.28 0.00 29 R 8.14 4.06 0.00 2.07 0.76 0.00 3.55 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 30 Q 6.41 4.72 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 31 W 8.97 4.87 0.00 3.17 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 32 H 8.82 5.39 0.00 3.22 3.27 0.00 5.65 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 33 N 9.14 4.39 0.00 2.96 2.92 0.00 0.00 7.01 8.51 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 34 D 8.14 4.81 0.00 2.67 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 35 C 8.44 4.15 0.00 3.33 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 36 F 8.44 4.37 0.00 3.24 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 37 N 7.71 5.10 0.00 2.45 2.63 0.00 0.00 7.04 7.82 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 38 C 8.33 3.65 0.00 2.84 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 39 K 8.11 4.36 0.00 1.83 1.72 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 40 K 8.02 4.34 0.00 1.67 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.35 7.81 41 C 7.88 4.60 0.00 3.04 2.93 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 42 S 7.72 4.29 0.00 3.91 3.87 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 0.00 0.00 0.00 43 L 7.32 4.24 0.00 1.66 1.43 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.45 4.43 0.00 3.84 3.76 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 45 L 8.04 4.30 0.00 0.64 0.87 0.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.80 3.87 2.26 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 0.89 0.00 0.00 1.04 0.00 0.00 47 G 9.60 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 48 R 8.05 4.73 0.00 1.97 1.88 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 49 G 8.36 3.94 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 0.00 50 F 8.09 4.29 0.00 2.95 2.87 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 0.00 0.00 0.00 51 L 8.80 4.84 0.00 1.41 1.61 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.18 4.41 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 1.00 0.00 0.00 53 E 9.55 4.24 0.00 1.98 1.90 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 2.29 2.32 0.00 54 R 7.68 3.78 0.00 1.86 1.93 0.00 3.21 0.00 0.00 3.24 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 55 D 7.68 5.04 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.69 0.00 2.70 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 57 I 7.81 4.71 1.49 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.57 0.00 0.00 58 L 7.95 4.50 0.00 1.52 1.50 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.31 4.84 0.00 2.92 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 60 P 0.00 4.20 0.00 2.15 2.14 0.00 3.57 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 2.10 2.31 0.00 61 D 7.93 4.28 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.00 4.33 0.00 3.07 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 63 G 8.39 3.85 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 0.00 0.00 0.00 64 K 8.14 4.15 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.49 7.81 65 D 7.77 4.87 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.45 4.00 1.86 0.00 0.00 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 1.56 0.90 0.92 0.00 0.00 67 S 8.99 4.06 0.00 3.84 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 68 G 7.93 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.45 0.00 2.19 2.12 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 70 S 8.42 4.25 0.00 3.85 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 71 S 7.91 4.71 0.00 3.95 3.79 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 72 G 8.73 4.17 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 0.00