NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3286 8.1749 117.3738 62.5286 70.2486 173.4391 2 P 4.1878 0.0000 0.0000 62.0631 32.7426 174.7522 3 D 4.8357 8.6503 123.1043 53.6022 38.5898 176.7752 4 C 4.1332 8.5552 122.4185 58.3426 43.8559 174.2041 5 V 4.3975 6.7398 118.1221 61.8527 33.6950 170.6318 6 T 4.9320 8.4032 117.4558 61.0795 72.6320 174.5206 7 G 3.8072 7.6361 111.7455 46.1277 0.0000 171.9042 8 K 4.4003 7.7532 119.4345 55.7292 33.2162 175.8742 9 V 4.3798 7.8775 119.7035 61.2367 31.7100 174.6750 10 E 4.2491 8.8724 130.0731 58.5965 29.6993 176.1873 11 Y 4.9547 6.9285 114.8220 56.5239 41.0975 172.1123 12 T 5.1313 8.5643 109.5163 60.0900 72.7161 172.9576 13 K 4.4900 7.9744 121.9674 55.3556 36.2894 173.6751 14 Y 4.7742 8.6897 128.6321 56.5174 40.4714 174.8923 15 N 5.0081 8.5177 124.5753 51.8565 40.0329 175.7008 16 D 4.5066 8.6803 118.9666 56.7490 41.2431 176.5510 17 D 4.9021 7.8722 116.7883 53.0851 39.6101 175.9290 18 D 4.3954 8.3225 115.9553 55.9587 38.9339 173.8862 19 T 4.6765 7.3235 109.1456 60.4964 71.4887 173.1410 20 F 5.3446 9.0054 124.8941 56.8730 42.4174 174.1810 21 T 5.4557 8.5400 121.9176 61.7506 71.6537 173.5253 22 V 4.7776 9.3435 124.3678 59.6855 35.5017 174.4995 23 K 4.5775 8.2292 123.4782 54.7604 34.1334 174.7781 24 V 4.5691 7.1349 126.7466 60.3040 33.5441 175.7095 25 G 3.9196 9.0819 119.6073 46.8466 0.0000 173.6520 26 D 4.7133 8.9513 121.4398 53.9781 40.9774 176.9651 27 K 4.2498 7.6935 118.3575 55.8666 33.9294 175.7186 28 E 4.7566 8.4902 124.1432 54.6052 31.6874 174.7765 29 L 5.5021 8.9381 126.3543 53.0013 46.5574 175.2178 30 F 5.5302 8.4151 114.8594 56.2481 42.1292 173.1718 31 T 4.3127 8.9446 110.5617 61.3040 70.5402 173.5476 32 N 4.8564 8.8067 123.9006 52.9593 38.2582 175.8248 33 R 4.2078 7.9073 119.8914 55.1347 28.9512 176.6363 34 W 4.4953 8.9988 124.2317 60.1278 29.2082 178.1788 35 N 4.6621 8.3136 112.2888 54.6330 38.1258 175.7822 36 L 4.5983 8.0328 118.3609 55.1229 42.4918 178.3856 37 Q 2.9947 7.5666 119.1767 58.5980 28.6474 178.5892 38 S 4.0181 7.7512 113.5580 61.3877 62.5550 176.0478 39 L 3.9630 7.7826 121.2373 57.5810 41.3780 179.3975 40 L 4.2458 8.3934 119.3402 57.8862 41.6996 179.2453 41 L 4.1644 8.1606 120.2363 58.2924 42.0041 179.2584 42 S 4.1728 8.0656 114.7481 61.4679 62.8029 176.4550 43 A 4.1539 8.1461 123.5294 54.8575 17.8414 179.6170 44 Q 3.9156 8.0331 117.7544 59.5987 29.3140 178.1310 45 I 3.9015 7.7695 119.7687 63.7661 37.2145 177.5445 46 T 4.4686 7.8629 108.0752 60.6317 69.5449 174.9044 47 G 3.8387 8.0492 109.5947 46.8591 0.0000 174.0463 48 M 4.3244 8.0373 117.7820 55.1892 33.0825 175.9995 49 T 4.6264 7.8505 117.4180 62.9918 70.4559 174.5804 50 V 4.7690 8.8174 118.0972 59.7903 36.3514 174.5670 51 T 4.8839 8.4546 119.5187 61.9081 71.2847 173.1053 52 I 4.4503 8.5299 127.6248 59.4477 39.6885 174.7679 53 K 5.1780 7.8588 124.9421 54.2879 34.6820 175.1835 54 T 4.4655 8.1436 117.1484 62.0026 69.6379 172.5078 55 N 4.5736 8.9514 121.6786 54.8360 39.3317 175.4434 56 A 4.3370 7.7108 121.8458 52.2872 19.0049 178.0854 57 C 4.7110 8.0695 119.1832 57.6950 43.6659 172.4604 58 H 5.0869 9.8777 113.5638 53.0379 31.5791 172.5583 59 N 4.4514 8.8348 117.8991 55.8614 38.4909 175.5155 60 G 4.1211 9.5819 112.8629 44.8418 0.0000 173.6174 61 G 3.8706 8.3685 107.6710 45.8932 0.0000 172.9370 62 G 3.6245 8.3414 108.2383 43.8979 0.0000 173.0166 63 F 5.0000 8.3828 119.1463 55.2027 40.2943 175.2083 64 S 4.2646 8.6118 109.3342 58.7881 65.4165 173.6004 65 E 4.7034 7.7600 119.3919 55.3660 31.1581 175.8725 66 V 4.6168 8.2151 121.4188 61.5275 35.2504 173.8313 67 I 4.4535 8.4459 127.6203 59.5942 39.7037 174.5054 68 F 4.8848 8.9600 126.9471 56.2756 39.7648 176.3181 69 R 4.3281 8.6966 119.7211 56.4223 29.6608 175.0173 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 T 8.17 4.33 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 1.24 0.00 0.00 2 P 0.00 4.19 0.00 2.13 1.95 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 3 D 8.65 4.84 0.00 2.65 2.58 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 0.00 0.00 0.00 0.00 4 C 8.56 4.13 0.00 3.02 3.20 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 5 V 6.74 4.40 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 0.58 0.00 0.00 0.88 0.00 0.00 6 T 8.40 4.93 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 1.16 0.00 0.00 7 G 7.64 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.75 4.40 0.00 1.81 1.75 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.41 7.81 9 V 7.88 4.38 2.10 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 0.78 0.00 0.00 0.92 0.00 0.00 10 E 8.87 4.25 0.00 1.94 1.58 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 0.00 2.44 2.42 0.00 11 Y 6.93 4.95 0.00 3.07 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 12 T 8.56 5.13 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 1.33 0.00 0.00 13 K 7.97 4.49 0.00 1.88 1.58 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 14 Y 8.69 4.77 0.00 3.26 2.85 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 N 8.52 5.01 0.00 2.87 2.66 0.00 0.00 6.19 7.69 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 16 D 8.68 4.51 0.00 2.63 2.72 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 17 D 7.87 4.90 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 18 D 8.32 4.40 0.00 3.29 2.98 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 19 T 7.32 4.68 4.41 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 1.33 0.00 0.00 20 F 9.01 5.34 0.00 3.01 2.99 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 0.00 0.00 0.00 21 T 8.54 5.46 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 1.29 0.00 0.00 22 V 9.34 4.78 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 0.79 0.00 0.00 0.85 0.00 0.00 23 K 8.23 4.58 0.00 1.00 0.74 0.00 1.51 0.00 0.00 1.43 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.74 1.06 7.81 24 V 7.13 4.57 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 1.00 0.00 0.00 0.79 0.00 0.00 25 G 9.08 3.92 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 0.00 0.00 0.00 26 D 8.95 4.71 0.00 2.76 2.76 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 27 K 7.69 4.25 0.00 1.63 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.32 7.81 28 E 8.49 4.76 0.00 1.96 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 2.25 2.25 0.00 29 L 8.94 5.50 0.00 1.48 1.69 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.42 5.53 0.00 3.34 3.22 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 0.00 0.00 0.00 0.00 31 T 8.94 4.31 2.85 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 1.09 0.00 0.00 32 N 8.81 4.86 0.00 2.88 3.04 0.00 0.00 6.15 7.66 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 33 R 7.91 4.21 0.00 1.85 1.95 0.00 3.28 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 34 W 9.00 4.50 0.00 3.38 3.23 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 35 N 8.31 4.66 0.00 2.73 2.90 0.00 0.00 6.82 7.85 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 36 L 8.03 4.60 0.00 1.75 1.87 1.00 1.09 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 37 Q 7.57 2.99 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 1.98 2.35 0.00 38 S 7.75 4.02 0.00 3.81 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 39 L 7.78 3.96 0.00 1.77 1.30 0.83 0.45 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 40 L 8.39 4.25 0.00 2.00 2.02 1.35 0.93 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 41 L 8.16 4.16 0.00 2.05 1.74 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.07 4.17 0.00 4.11 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 43 A 8.15 4.15 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 3.92 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 45 I 7.77 3.90 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 1.61 0.79 0.93 0.00 0.00 46 T 7.86 4.47 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 1.26 0.00 0.00 47 G 8.05 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 0.00 0.00 0.00 48 M 8.04 4.32 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 49 T 7.85 4.63 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 1.18 0.00 0.00 50 V 8.82 4.77 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 0.70 0.00 0.00 0.75 0.00 0.00 51 T 8.45 4.88 4.15 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 0.00 0.00 0.00 1.17 0.00 0.00 52 I 8.53 4.45 1.53 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.06 0.17 0.00 0.00 53 K 7.86 5.18 0.00 1.62 1.67 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.14 7.81 54 T 8.14 4.47 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 1.16 0.00 0.00 55 N 8.95 4.57 0.00 2.75 2.85 0.00 0.00 6.90 7.35 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 56 A 7.71 4.34 1.18 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 57 C 8.07 4.71 0.00 2.91 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.88 5.09 0.00 3.36 3.35 0.00 5.54 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.83 4.45 0.00 2.78 2.90 0.00 0.00 7.23 7.65 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 60 G 9.58 4.12 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 61 G 8.37 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 0.00 0.00 0.00 62 G 8.34 3.62 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 0.00 0.00 0.00 63 F 8.38 5.00 0.00 3.12 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 64 S 8.61 4.26 0.00 3.70 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 65 E 7.76 4.70 0.00 2.00 1.86 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 2.30 2.26 0.00 66 V 8.22 4.62 1.96 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 0.25 0.00 0.00 1.19 0.00 0.00 67 I 8.45 4.45 1.79 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 1.23 0.54 0.91 0.00 0.00 68 F 8.96 4.88 0.00 2.93 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 69 R 8.70 4.33 0.00 1.87 1.97 0.00 2.78 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00