NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3920 8.1627 120.6044 55.4945 34.1609 173.4395 2 Q 4.8660 8.3796 126.9055 52.7594 31.1416 172.6084 3 I 4.4692 9.0364 119.9963 59.0157 42.2096 173.3812 4 F 5.4837 8.6163 120.7296 55.7513 42.1385 175.0335 5 V 4.7987 8.7970 121.8269 61.0379 34.5216 173.9872 6 K 5.0068 9.0300 130.3616 55.3063 33.5528 176.2659 7 T 4.5636 8.9687 119.0348 60.4478 70.4066 175.4704 8 L 3.8971 7.8941 124.0805 58.4142 41.9405 177.9385 9 T 4.0709 7.4761 105.1387 62.2531 69.0208 175.4211 10 G 3.9283 8.2477 111.3964 44.7939 0.0000 173.4794 11 K 4.1373 7.7026 121.2303 56.5606 33.3784 175.6151 12 T 5.1433 8.5583 124.3725 62.0330 69.9582 173.8562 13 I 4.7269 9.0626 120.8236 59.3251 40.8379 174.7887 14 T 5.0828 8.4266 112.9381 60.6339 71.0356 173.8759 15 L 4.7898 8.6306 122.1469 53.0379 46.1977 175.0583 16 E 4.8426 8.7836 124.0533 55.1738 30.4825 175.1218 17 V 4.7339 8.8305 119.7977 59.7993 36.3838 174.4538 18 E 4.7496 9.0311 119.7356 53.9283 32.6925 176.0728 19 P 4.2246 0.0000 0.0000 65.6722 31.5302 178.2962 20 S 4.3834 7.9008 110.0516 59.0257 63.7891 174.1625 21 D 4.5500 8.0376 123.4263 54.6505 41.2492 176.3344 22 T 4.6743 8.4852 113.9330 61.1792 71.2794 175.7900 23 I 3.7307 8.5106 122.9533 64.5696 36.9103 178.6146 24 E 3.9531 8.1866 118.8903 59.5302 29.3776 178.7743 25 N 4.2828 8.1367 116.3599 56.4442 38.5956 177.6033 26 V 3.5559 7.7721 119.2954 66.0231 31.5980 178.0986 27 K 4.3601 8.5032 119.4282 58.9617 31.7984 179.1566 28 A 4.0167 8.1693 120.9525 55.0200 18.2726 179.8848 29 K 3.9225 8.0689 117.1078 59.5970 32.0718 179.6251 30 I 3.7082 7.9542 120.2363 64.2881 36.9438 178.1821 31 Q 4.1329 8.3564 122.0766 58.8282 28.7093 177.9856 32 D 4.2853 8.0794 117.7179 56.9154 41.2596 177.7545 33 K 4.1341 7.9665 119.3682 58.6966 32.5479 177.7630 34 E 4.5977 8.6419 115.7907 55.3967 31.0108 177.1980 35 G 3.9025 8.1967 106.9826 45.1490 0.0000 173.3965 36 I 4.0109 7.4165 121.5849 59.6982 37.7920 173.8135 37 P 4.4042 0.0000 0.0000 61.6983 32.0996 175.8568 38 P 4.3093 0.0000 0.0000 65.6246 31.5373 178.0562 39 D 4.3836 8.2526 117.6829 56.2701 39.2046 177.4794 40 Q 4.2090 8.1430 117.2336 56.8171 29.4520 174.9857 41 Q 4.6298 8.0178 118.8662 54.9074 30.5822 175.0222 42 R 4.6373 8.7698 123.3887 54.4834 32.6415 174.7661 43 L 4.9445 8.3600 124.8051 53.6835 43.6295 176.0107 44 I 5.0658 8.8852 124.2581 59.4681 40.9780 174.3237 45 F 5.0645 9.1637 128.1235 56.9185 42.9369 174.3656 46 A 3.4327 9.0631 127.6877 53.1080 15.8725 177.9266 47 G 3.9256 8.4512 105.6085 46.7638 0.0000 174.2543 48 K 4.5861 7.9863 119.4121 54.1233 35.0474 174.9390 49 Q 4.6380 8.5160 124.3602 55.7608 29.6891 175.2770 50 L 4.0698 8.8288 127.0687 54.3511 43.1461 175.9646 51 E 4.7308 9.2969 122.2833 54.3873 31.8514 175.5715 52 D 5.0501 8.2488 123.1863 55.2600 41.3656 175.9915 53 G 4.1258 8.4386 112.8049 45.9144 0.0000 174.4333 54 R 4.3528 7.9898 118.2133 55.2795 31.4198 175.3899 55 T 5.1062 7.5772 108.5416 59.8499 71.3315 175.7140 56 L 4.1751 8.5529 121.8070 58.1319 41.5449 179.9633 57 S 4.0593 8.2275 114.2248 61.7121 62.3456 175.9713 58 D 4.2494 7.6452 120.4914 56.7402 40.9310 176.8825 59 Y 4.5628 7.8657 114.3288 56.6144 38.4893 175.0309 60 N 4.1833 7.9203 116.2463 54.2559 36.7048 174.5242 61 I 3.6459 7.7866 119.1182 60.4674 37.7631 175.4924 62 Q 4.6751 8.1893 124.0892 53.1176 31.2582 174.6596 63 K 4.0101 8.3561 116.4022 58.9178 32.4014 176.6844 64 E 3.5122 9.2364 120.4432 56.6411 27.9718 174.9190 65 S 4.5189 7.7864 115.8780 59.0802 64.2388 173.2149 66 T 5.1619 8.7025 118.9749 62.0468 70.4333 173.7685 67 L 4.9442 8.9829 126.7341 53.8172 44.3774 175.0929 68 H 5.2578 9.1478 119.4149 54.1473 30.2678 173.4138 69 L 5.0184 8.9393 125.5779 53.4848 43.9704 175.0748 70 V 4.6235 8.6242 126.2957 61.1124 34.4056 174.1619 71 L 5.0832 8.3446 126.2144 53.4061 43.4032 176.1902 72 R 4.1789 8.9406 124.5055 55.9422 30.4812 175.5645 73 L 4.7162 8.5255 126.7895 52.9891 43.6344 176.1650 74 R 4.7328 7.9916 121.6142 54.4676 33.7499 175.8156 75 G 3.7720 8.3627 107.3807 46.6358 0.0000 173.5044 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 M 8.16 4.39 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 2 Q 8.38 4.87 0.00 2.14 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 1.91 2.27 0.00 3 I 9.04 4.47 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.80 0.00 0.00 4 F 8.62 5.48 0.00 3.00 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 5 V 8.80 4.80 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 0.87 0.00 0.00 0.94 0.00 0.00 6 K 9.03 5.01 0.00 1.85 1.66 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 7 T 8.97 4.56 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 8 L 7.89 3.90 0.00 1.78 1.76 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.48 4.07 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 10 G 8.25 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 11 K 7.70 4.14 0.00 1.91 1.70 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.56 5.14 4.20 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 1.14 0.00 0.00 13 I 9.06 4.73 1.91 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 1.50 0.73 0.95 0.00 0.00 14 T 8.43 5.08 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 1.45 0.00 0.00 15 L 8.63 4.79 0.00 1.49 1.49 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.78 4.84 0.00 1.92 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 2.20 2.36 0.00 17 V 8.83 4.73 2.03 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 0.69 0.00 0.00 0.88 0.00 0.00 18 E 9.03 4.75 0.00 1.83 1.77 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 2.18 2.37 0.00 19 P 0.00 4.22 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.90 4.38 0.00 3.96 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 21 D 8.04 4.55 0.00 2.86 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 22 T 8.49 4.67 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 1.21 0.00 0.00 23 I 8.51 3.73 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.93 0.91 0.00 0.00 24 E 8.19 3.95 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 2.41 2.61 0.00 25 N 8.14 4.28 0.00 3.05 2.87 0.00 0.00 6.72 7.39 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 26 V 7.77 3.56 2.20 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 1.08 0.00 0.00 0.97 0.00 0.00 27 K 8.50 4.36 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.56 7.81 28 A 8.17 4.02 1.39 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 0.00 0.00 0.00 29 K 8.07 3.92 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 I 7.95 3.71 2.13 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 1.41 0.75 0.92 0.00 0.00 31 Q 8.36 4.13 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 32 D 8.08 4.29 0.00 2.76 2.80 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 33 K 7.97 4.13 0.00 1.87 1.81 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 34 E 8.64 4.60 0.00 2.06 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 2.25 2.43 0.00 35 G 8.20 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 0.00 0.00 0.00 36 I 7.42 4.01 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.34 1.99 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 P 0.00 4.31 0.00 2.22 2.31 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 39 D 8.25 4.38 0.00 2.81 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 40 Q 8.14 4.21 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 8.02 4.63 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 42 R 8.77 4.64 0.00 1.89 1.84 0.00 3.11 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.36 4.94 0.00 1.56 1.55 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.89 5.07 1.91 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 1.11 0.86 0.96 0.00 0.00 45 F 9.16 5.06 0.00 2.84 2.73 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 46 A 9.06 3.43 0.66 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 0.00 0.00 47 G 8.45 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 K 7.99 4.59 0.00 1.92 1.70 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.33 7.81 49 Q 8.52 4.64 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.83 4.07 0.00 1.37 1.23 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.30 4.73 0.00 2.04 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 2.33 2.45 0.00 52 D 8.25 5.05 0.00 2.67 2.80 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 53 G 8.44 4.13 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 0.00 54 R 7.99 4.35 0.00 2.12 1.86 0.00 3.11 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 55 T 7.58 5.11 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 56 L 8.55 4.18 0.00 1.86 1.69 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.06 0.00 4.02 4.20 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 58 D 7.65 4.25 0.00 2.61 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 0.00 0.00 0.00 0.00 59 Y 7.87 4.56 0.00 3.05 3.02 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 60 N 7.92 4.18 0.00 3.03 2.98 0.00 0.00 6.92 7.59 0.00 0.00 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 I 7.79 3.65 1.76 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.07 0.58 0.00 0.00 62 Q 8.19 4.68 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 63 K 8.36 4.01 0.00 1.81 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.47 7.81 64 E 9.24 3.51 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 65 S 7.79 4.52 0.00 3.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 5.16 4.34 0.00 0.00 0.00 0.00 0.00 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 67 L 8.98 4.94 0.00 1.59 1.60 0.86 0.88 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 68 H 9.15 5.26 0.00 3.14 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.94 5.02 0.00 1.75 1.54 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.62 4.62 2.09 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.34 5.08 0.00 1.57 1.57 0.93 0.95 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 72 R 8.94 4.18 0.00 1.77 1.99 0.00 3.22 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.53 4.72 0.00 1.65 1.56 0.92 0.91 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 74 R 7.99 4.73 0.00 1.75 1.79 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.36 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 0.00 0.00 0.00