NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8829 8.3549 109.7359 44.6546 0.0000 174.2695 2 S 4.2138 7.4873 126.4312 55.6631 64.9336 171.6553 3 S 4.3934 8.5666 118.0379 58.0831 65.8977 174.6872 4 G 4.0927 9.7873 109.4060 45.6771 0.0000 173.3612 5 S 4.3720 8.1247 112.5131 58.0332 65.2108 174.0372 6 S 3.5101 9.0536 119.6096 58.4897 61.1504 171.9513 7 G 3.7820 7.4763 105.8889 44.6419 0.0000 175.1879 8 M 3.9697 8.8591 124.0829 58.6648 32.3911 178.1897 9 A 3.9986 7.9362 120.4581 55.2441 18.0755 179.2234 10 E 3.8888 8.1401 116.6101 59.5362 29.5728 179.4505 11 R 3.8963 7.9243 118.2786 59.2356 30.0704 178.3467 12 A 3.9723 8.4018 120.8175 55.2820 18.5345 179.5488 13 A 3.9336 8.2683 119.3481 55.0446 18.3350 179.9854 14 L 3.9358 8.1193 117.7265 58.1324 41.7893 179.5490 15 E 3.9601 8.6695 118.8927 59.0896 29.3028 179.0005 16 E 3.8922 8.4481 119.7864 59.3364 29.6841 178.8254 17 L 3.9784 7.6785 118.5191 57.7623 41.5943 179.6705 18 V 3.5431 7.9259 118.0995 65.8998 31.5075 177.7035 19 K 3.8688 8.4656 119.5226 59.8137 32.0065 178.7037 20 L 4.0676 8.4460 119.4341 57.6136 41.4638 179.3827 21 Q 4.0332 8.5876 120.1582 59.2614 29.0727 178.6777 22 G 3.6091 8.3840 107.0446 47.6717 0.0000 175.6394 23 E 3.9415 8.7473 121.2685 59.1556 29.5470 179.2926 24 R 3.8496 8.2894 119.1241 59.4713 30.1834 178.4793 25 V 3.5711 8.0945 118.3913 66.0731 31.4236 177.9440 26 R 3.9592 8.0410 118.3088 59.3094 29.8969 178.4454 27 G 3.7163 8.3551 105.9098 48.0415 0.0000 175.4026 28 L 4.2585 8.3461 123.4632 56.7917 41.4219 179.8310 29 K 3.9713 7.9172 117.1778 59.4799 32.1301 178.8788 30 Q 4.1342 8.1406 120.0887 58.9786 28.8199 177.4286 31 Q 4.2578 8.4166 116.7143 55.5226 29.4649 175.6564 32 K 3.6525 7.6898 119.5838 57.5741 30.2191 173.8793 33 A 4.2404 7.5939 120.1633 51.1782 19.7119 178.4020 34 S 4.0598 8.6773 114.4213 59.4585 63.6467 175.8751 35 A 3.9952 8.7721 128.7476 55.2172 16.6022 178.8934 36 E 3.9432 8.1196 117.4401 58.8760 29.7066 178.6397 37 L 4.0277 7.7093 120.1417 58.0324 42.3233 178.0856 38 I 3.6500 7.7862 119.7170 65.1096 37.1702 178.2009 39 E 3.9950 8.3317 118.6360 59.1480 29.1610 179.4494 40 E 4.0225 7.5693 117.4152 59.3538 29.6232 178.9795 41 E 3.9906 8.6635 118.9402 58.9995 29.4074 179.5359 42 V 3.6069 8.2332 118.9326 65.7291 31.5761 177.9640 43 A 3.9808 8.1421 120.6617 55.0373 18.1391 179.7718 44 K 3.9668 8.3143 117.2609 59.5077 31.9886 179.3119 45 L 3.9417 8.0522 120.6380 57.9061 41.8187 179.1901 46 L 3.9885 8.0846 119.1678 57.6751 41.4438 179.1510 47 K 3.8561 8.1411 117.2921 59.6624 32.2905 178.8896 48 L 4.1226 8.0521 118.7861 58.0334 41.5641 179.7524 49 K 3.8913 7.8008 118.0700 59.4785 31.8192 178.5840 50 A 4.2015 8.1034 118.2934 53.4525 18.3001 178.5588 51 Q 4.2410 7.9885 116.8639 57.7670 29.5824 177.5726 52 L 4.3227 7.7435 118.5651 57.4304 42.5602 178.5504 53 G 4.0155 8.0943 110.3689 45.6178 0.0000 171.4197 54 P 4.5366 0.0000 0.0000 61.7807 32.5903 176.6035 55 D 4.5234 8.2137 118.3929 54.3575 41.6455 177.5745 56 E 4.3452 8.3277 122.3729 56.1791 27.6914 178.9545 57 S 4.3139 7.5531 116.6462 58.0253 61.6257 172.4310 58 K 3.8961 8.1339 128.7078 54.6800 32.9260 175.0661 59 Q 4.3161 8.3853 120.6050 56.6210 28.6224 174.9267 60 K 4.4906 7.8327 115.4380 55.5959 36.8543 177.6525 61 F 4.0905 8.0617 115.4450 58.1080 36.8882 175.8819 62 V 3.6437 7.1793 119.8375 62.8288 31.4805 176.0413 63 L 4.3542 8.3957 127.4286 54.4575 42.3431 175.4338 64 K 4.7045 7.9980 117.9866 54.8207 35.6663 175.9235 65 T 3.9820 8.3345 109.6426 61.1150 68.8038 173.1197 66 P 4.3599 0.0000 0.0000 63.2881 28.6905 176.1091 67 K 3.8111 8.4732 130.9279 57.5854 29.7321 176.5268 68 S 4.2403 8.1337 113.3055 59.7558 63.8218 175.3128 69 G 3.8858 7.3616 107.2456 45.6934 0.0000 173.7084 70 P 4.4098 0.0000 0.0000 62.6321 31.0158 176.7481 71 S 4.5221 8.0430 126.3536 58.8088 63.4454 172.3519 72 S 4.4861 7.6437 112.0762 57.2952 65.0313 175.8640 73 G 3.4833 8.7424 111.1438 45.5022 0.0000 172.8258 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 3.88 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 2 S 7.49 4.21 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.39 0.00 3.78 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 4 G 9.79 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 5 S 8.12 4.37 0.00 3.95 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 6 S 9.05 3.51 0.00 3.95 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 7 G 7.48 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 8 M 8.86 3.97 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 9 A 7.94 4.00 1.32 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 0.00 0.00 10 E 8.14 3.89 0.00 2.06 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 2.40 2.43 0.00 11 R 7.92 3.90 0.00 2.03 2.04 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 12 A 8.40 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.27 3.93 1.38 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 0.00 0.00 14 L 8.12 3.94 0.00 1.96 1.72 0.92 0.76 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 15 E 8.67 3.96 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 16 E 8.45 3.89 0.00 2.20 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 2.31 2.36 0.00 17 L 7.68 3.98 0.00 1.94 1.70 0.92 0.60 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 18 V 7.93 3.54 2.22 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 1.17 0.00 0.00 1.00 0.00 0.00 19 K 8.47 3.87 0.00 1.84 1.99 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 20 L 8.45 4.07 0.00 1.76 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.59 4.03 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.34 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 22 G 8.38 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 3.94 0.00 2.09 2.00 0.00 0.00 0.00 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 24 R 8.29 3.85 0.00 1.96 1.92 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 V 8.09 3.57 2.15 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 1.02 0.00 0.00 0.99 0.00 0.00 26 R 8.04 3.96 0.00 2.00 2.08 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 27 G 8.36 3.72 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 0.00 0.00 0.00 28 L 8.35 4.26 0.00 1.82 1.73 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.92 3.97 0.00 1.90 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 30 Q 8.14 4.13 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 31 Q 8.42 4.26 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.95 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 32 K 7.69 3.65 0.00 1.82 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.36 7.81 33 A 7.59 4.24 1.26 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 0.00 0.00 0.00 34 S 8.68 4.06 0.00 3.87 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 35 A 8.77 4.00 1.32 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 0.00 0.00 36 E 8.12 3.94 0.00 2.05 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 2.37 2.36 0.00 37 L 7.71 4.03 0.00 1.80 1.79 0.92 1.07 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 38 I 7.79 3.65 2.04 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 1.52 0.64 0.91 0.00 0.00 39 E 8.33 4.00 0.00 2.03 2.00 0.00 0.00 0.00 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 2.35 0.00 40 E 7.57 4.02 0.00 2.21 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 2.41 2.49 0.00 41 E 8.66 3.99 0.00 2.13 1.99 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 2.42 2.45 0.00 42 V 8.23 3.61 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 1.08 0.00 0.00 0.96 0.00 0.00 43 A 8.14 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 3.97 0.00 1.90 1.87 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 45 L 8.05 3.94 0.00 1.84 1.80 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.08 3.99 0.00 1.93 1.68 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.14 3.86 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.61 7.81 48 L 8.05 4.12 0.00 1.77 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.80 3.89 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 50 A 8.10 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.99 4.24 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 52 L 7.74 4.32 0.00 1.79 1.73 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.09 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 54 P 0.00 4.54 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 55 D 8.21 4.52 0.00 2.68 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 56 E 8.33 4.35 0.00 1.96 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 2.29 2.32 0.00 57 S 7.55 4.31 0.00 3.86 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 58 K 8.13 3.90 0.00 1.89 1.80 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 59 Q 8.39 4.32 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 60 K 7.83 4.49 0.00 1.76 1.70 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 61 F 8.06 4.09 0.00 3.17 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 62 V 7.18 3.64 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 0.76 0.00 0.00 0.95 0.00 0.00 63 L 8.40 4.35 0.00 1.68 1.64 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.00 4.70 0.00 1.79 1.72 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.40 7.81 65 T 8.33 3.98 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 66 P 0.00 4.36 0.00 2.20 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 1.98 1.98 0.00 67 K 8.47 3.81 0.00 1.94 1.84 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.40 7.81 68 S 8.13 4.24 0.00 3.97 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 0.00 69 G 7.36 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 0.00 0.00 0.00 70 P 0.00 4.41 0.00 2.18 2.12 0.00 3.75 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 71 S 8.04 4.52 0.00 3.85 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 72 S 7.64 4.49 0.00 3.81 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 73 G 8.74 3.48 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 0.00