NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9371 8.3549 109.7372 45.0797 0.0000 173.4998 3 K 3.8447 8.6119 121.5091 55.8656 32.8560 170.7619 4 V 4.5559 8.6136 121.2936 61.4591 35.7960 173.5744 5 Y 5.0482 8.8482 123.6032 56.0763 41.3023 174.6086 6 K 4.5455 8.4931 121.5708 54.4596 36.0176 174.8503 7 K 4.9354 8.4593 123.7156 54.6776 34.9837 175.8663 8 V 4.5571 8.8105 117.9365 59.5071 35.0700 174.1753 9 E 5.1127 8.7268 124.3050 54.7013 31.0591 174.9266 10 L 4.9219 8.9618 126.1636 52.8431 46.4327 175.8377 11 V 4.7009 8.3948 120.6431 61.2726 33.3973 175.0171 12 G 4.1965 8.8674 116.4108 45.5539 0.0000 171.9194 13 T 5.8077 7.9406 111.5402 59.0440 72.4207 172.8679 14 S 4.6404 8.2249 113.5944 58.0892 65.2291 175.8704 15 E 4.6784 9.0053 123.7896 57.1360 30.0693 177.8177 16 E 4.1431 8.4638 118.7977 57.2959 29.9931 176.7550 17 G 3.2382 7.2659 105.0582 44.3120 0.0000 173.0685 18 L 3.7571 7.2528 118.1199 57.8350 41.4440 179.4906 19 E 3.8764 8.0184 117.7035 59.4558 29.4670 179.1737 20 A 3.9472 7.8915 119.9605 55.0146 18.5510 179.4121 21 A 3.9330 7.8729 119.3410 55.2456 18.4671 179.9276 22 I 3.4781 7.7673 118.3157 64.6824 37.0979 178.6883 23 Q 3.8984 8.3352 118.9644 58.7919 28.4517 178.8717 24 A 3.9143 8.0882 121.6103 55.0463 18.4164 179.5652 25 A 3.8798 7.7686 118.7983 55.3154 18.5621 179.9177 26 L 3.8574 7.8796 117.3211 57.7398 41.4058 179.5997 27 A 3.9642 8.0262 120.3653 55.0921 18.7094 179.3875 28 R 3.9157 8.0102 117.0836 59.3960 30.1481 178.5198 29 A 3.9003 8.0865 120.7162 55.1459 18.1093 179.5676 30 R 3.8326 7.6585 115.9303 59.2660 30.1133 178.5958 31 K 4.1507 7.6857 117.8414 58.6237 32.1033 177.5313 32 T 4.5204 7.5904 104.5564 60.5843 70.1172 173.1809 33 L 4.5578 7.6035 121.5979 52.9802 44.4079 175.6434 34 R 4.5237 7.6136 118.0965 55.4184 33.7859 174.7901 35 H 4.1882 8.5173 113.2723 56.8600 26.2104 175.4295 36 L 4.5413 8.0716 118.3984 55.3580 42.2785 176.4234 37 D 5.2126 9.2800 123.4357 55.3446 43.3704 176.1680 38 W 5.4392 7.7621 113.2046 55.3417 31.8014 173.2377 39 F 5.3436 8.2536 114.0817 55.3509 40.9973 173.7396 40 E 4.7539 9.2971 118.8542 54.6648 33.3623 175.0228 41 V 4.2463 8.7469 125.0710 62.9962 31.7527 175.4436 42 K 4.4793 9.3518 127.7397 58.2693 33.4095 176.8303 43 E 4.8499 7.8811 116.6907 55.0669 34.3404 174.3661 44 I 5.0604 8.3064 122.5618 59.8425 40.3457 174.9539 45 R 4.5430 8.7229 123.2934 56.9617 32.9885 173.4979 46 G 4.1853 7.9527 105.6131 47.1652 0.0000 172.2378 47 T 4.7593 7.9496 109.8831 60.0361 71.6900 173.5789 48 I 4.8249 8.2334 122.6598 59.7457 40.0738 175.2704 49 G 4.2496 9.0863 114.4729 43.6492 0.0000 172.8598 50 E 3.9487 8.9044 117.1861 58.6215 29.4149 177.9462 51 A 4.7065 8.0889 120.0529 51.8499 20.6257 176.1098 52 G 4.0101 7.6278 107.2684 45.0989 0.0000 176.7130 53 V 3.7091 8.1949 124.8456 62.9292 31.8049 174.6327 54 K 4.2388 8.8240 129.5232 57.8214 33.2661 175.1672 55 E 4.5886 7.9274 119.6408 54.3982 32.8617 173.7009 56 Y 4.5905 9.2041 125.3780 57.7368 39.8092 174.6567 57 Q 4.8746 9.3972 122.2012 54.2938 32.6958 174.3914 58 V 4.6583 8.8622 125.6048 61.0364 33.9011 174.5716 59 V 4.6212 8.7993 129.8199 62.1561 32.6612 174.8076 60 L 5.2628 9.2544 127.4317 54.4477 44.6501 174.5071 61 E 5.0024 9.2609 119.8876 54.8079 32.0099 175.1499 62 V 4.4715 9.0055 124.7191 61.0364 34.0492 174.2817 63 G 2.9307 8.0795 116.1079 44.0614 0.0000 172.3880 64 F 5.6526 8.3605 118.5623 54.9920 41.9332 173.6047 65 R 4.1763 8.8824 121.4012 56.0960 30.5740 175.8735 66 L 4.6217 8.1579 126.1503 53.3666 43.0375 176.5518 67 E 4.0264 8.7101 122.8245 55.8511 30.3370 176.3532 68 E 4.0454 8.6030 125.6973 56.1251 30.4822 176.7892 69 T 4.0904 8.4756 120.4670 64.1067 68.3897 173.5736 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 2 G 8.35 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 3 K 8.61 3.84 0.00 1.84 1.47 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 4 V 8.61 4.56 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 1.09 0.00 0.00 0.92 0.00 0.00 5 Y 8.85 5.05 0.00 3.02 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 6 K 8.49 4.55 0.00 1.41 0.74 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.12 1.26 7.81 7 K 8.46 4.94 0.00 1.62 1.79 0.00 2.06 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 1.42 7.81 8 V 8.81 4.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.07 0.00 0.00 9 E 8.73 5.11 0.00 2.15 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 0.00 2.21 2.48 0.00 10 L 8.96 4.92 0.00 1.55 1.46 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.39 4.70 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 0.85 0.00 0.00 0.94 0.00 0.00 12 G 8.87 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 0.00 0.00 0.00 13 T 7.94 5.81 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 1.27 0.00 0.00 14 S 8.22 4.64 0.00 3.88 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 15 E 9.01 4.68 0.00 2.04 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 2.49 2.30 0.00 16 E 8.46 4.14 0.00 1.97 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 2.36 2.40 0.00 17 G 7.27 3.24 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 0.00 0.00 0.00 0.00 18 L 7.25 3.76 0.00 1.56 1.64 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.02 3.88 0.00 1.98 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 2.38 2.42 0.00 20 A 7.89 3.95 1.31 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 0.00 0.00 0.00 0.00 0.00 21 A 7.87 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.48 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.25 0.00 0.00 23 Q 8.34 3.90 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 A 8.09 3.91 1.36 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 0.00 0.00 25 A 7.77 3.88 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 26 L 7.88 3.86 0.00 1.74 1.66 0.71 0.88 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 27 A 8.03 3.96 1.30 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 28 R 8.01 3.92 0.00 1.92 2.03 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.09 3.90 1.29 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 30 R 7.66 3.83 0.00 1.94 2.10 0.00 3.25 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.69 4.15 0.00 1.87 1.82 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 32 T 7.59 4.52 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 1.16 0.00 0.00 33 L 7.60 4.56 0.00 1.39 0.78 0.40 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.61 4.52 0.00 1.63 1.42 0.00 3.42 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 35 H 8.52 4.19 0.00 3.64 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.07 4.54 0.00 1.68 1.67 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.28 5.21 0.00 3.12 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 38 W 7.76 5.44 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 5.34 0.00 3.03 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 40 E 9.30 4.75 0.00 2.00 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 2.40 2.57 0.00 41 V 8.75 4.25 2.18 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.35 4.48 0.00 1.76 1.87 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.59 7.81 43 E 7.88 4.85 0.00 1.90 1.80 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 2.32 2.37 0.00 44 I 8.31 5.06 1.92 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 1.45 0.65 1.00 0.00 0.00 45 R 8.72 4.54 0.00 1.82 2.03 0.00 2.98 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 46 G 7.95 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.76 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 1.18 0.00 0.00 48 I 8.23 4.82 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.90 0.00 0.00 49 G 9.09 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 50 E 8.90 3.95 0.00 1.96 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 0.00 2.31 2.30 0.00 51 A 8.09 4.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.63 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 0.00 0.00 0.00 53 V 8.19 3.71 1.73 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 -0.36 0.00 0.00 0.66 0.00 0.00 54 K 8.82 4.24 0.00 1.90 1.80 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 E 7.93 4.59 0.00 1.97 1.69 0.00 0.00 0.00 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 2.27 0.00 56 Y 9.20 4.59 0.00 3.12 2.84 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 57 Q 9.40 4.87 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 58 V 8.86 4.66 2.07 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.80 4.62 2.19 0.00 0.00 0.00 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 1.00 0.00 0.00 60 L 9.25 5.26 0.00 1.95 1.75 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.26 5.00 0.00 1.92 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 2.28 2.42 0.00 62 V 9.01 4.47 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 0.93 0.00 0.00 0.91 0.00 0.00 63 G 8.08 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 0.00 0.00 0.00 64 F 8.36 5.65 0.00 3.37 3.03 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 0.00 0.00 0.00 0.00 65 R 8.88 4.18 0.00 2.07 1.88 0.00 3.06 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 0.00 66 L 8.16 4.62 0.00 1.59 1.55 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 4.03 0.00 1.98 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 2.30 2.32 0.00 68 E 8.60 4.05 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 69 T 8.48 4.09 4.23 0.00 0.00 0.00 0.00 0.00 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