NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 4.9253 8.2593 120.5763 56.6755 30.5250 173.4216 2 C 4.5769 8.7949 116.9828 52.7006 42.6165 172.3252 3 S 4.1720 9.5171 120.1879 60.7768 64.7089 175.9025 4 T 4.2942 7.6443 118.3615 63.1234 67.6568 177.1370 5 C 4.7222 7.7253 117.7555 55.5096 41.9832 173.2303 6 L 4.3233 7.8873 123.5880 55.2518 43.9789 176.3559 7 D 4.4837 7.5403 128.5878 53.3486 42.6108 175.6443 8 L 4.9561 8.3375 130.9111 52.9932 42.1764 177.2107 9 A 4.6635 7.8452 122.5401 53.7290 16.7726 178.4995 10 C 4.0863 8.2133 122.8583 58.3652 32.1119 174.7196 11 T 3.7697 7.8772 116.3316 64.6111 68.9960 173.4949 12 G 3.6934 8.0857 109.0524 43.9367 0.0000 174.2311 13 S 3.9648 8.5669 123.0022 61.7046 62.7075 177.0287 14 K 2.8746 7.4260 119.1144 58.7462 31.5864 178.5044 15 D 4.4204 7.6402 118.2728 57.4156 41.3270 178.4590 16 C 4.2378 8.4341 116.4211 58.8341 41.1598 175.2709 17 Y 4.5895 7.8999 119.2022 61.2786 37.4414 178.5745 18 A 4.0083 7.6894 120.9319 54.7961 18.5885 177.5987 19 P 4.2273 0.0000 0.0000 66.1427 31.4497 179.2813 20 C 4.3109 8.7430 117.3958 59.5752 44.4654 175.4755 21 R 3.7245 8.2490 120.4753 59.4256 29.5232 178.3350 22 K 4.0713 8.2627 117.7033 58.3499 32.2181 178.1180 23 Q 4.2473 7.9427 119.5440 58.8234 29.4767 176.7683 24 T 4.3203 8.1482 108.7912 61.8499 70.0249 175.3184 25 G 4.0202 8.0056 108.4246 45.0506 0.0000 172.7438 26 C 4.9367 8.1745 118.0059 54.6287 42.1786 172.2448 27 P 4.9231 0.0000 0.0000 63.1502 31.3780 175.1949 28 N 4.6937 7.9814 118.7322 53.0293 40.0144 173.2456 29 A 5.2409 8.8210 126.5584 50.8292 22.9947 174.6030 30 K 4.7350 8.8215 119.5224 54.8958 36.3447 173.0029 31 C 5.1794 8.8537 121.9328 54.7857 43.4676 172.7478 32 I 4.6106 8.7232 117.2526 60.0748 40.3326 174.6631 33 N 4.1996 9.3606 117.7269 54.2661 37.0524 173.7773 34 K 3.9404 8.5907 113.9316 56.3407 30.6851 174.9648 35 S 4.6274 7.8471 109.5340 56.6795 66.7791 172.8726 36 C 5.0271 8.7565 119.7900 56.3177 40.8799 172.3403 37 K 4.3128 8.8753 126.1038 55.9256 33.3144 175.0600 38 C 4.9946 8.5987 124.1108 55.9378 42.2412 173.3642 39 Y 4.4714 8.3413 119.1221 58.1456 37.3617 176.8350 40 G 4.1728 9.5213 104.8912 46.6392 0.0000 173.5195 41 C 4.3863 8.2866 118.7829 56.9422 44.4782 173.6680 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 W 8.26 4.93 0.00 3.51 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.79 4.58 0.00 3.21 3.26 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 3 S 9.52 4.17 0.00 4.02 4.07 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 4 T 7.64 4.29 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 1.22 0.00 0.00 5 C 7.73 4.72 0.00 2.92 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 6 L 7.89 4.32 0.00 1.55 1.55 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.54 4.48 0.00 2.59 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 8 L 8.34 4.96 0.00 1.78 1.62 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 4.66 1.33 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 0.00 0.00 10 C 8.21 4.09 0.00 3.12 3.15 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 0.00 11 T 7.88 3.77 4.22 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 1.20 0.00 0.00 12 G 8.09 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.57 3.96 0.00 3.64 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 14 K 7.43 2.87 0.00 1.55 1.74 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.23 7.81 15 D 7.64 4.42 0.00 2.73 2.78 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 16 C 8.43 4.24 0.00 3.12 3.15 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 0.00 17 Y 7.90 4.59 0.00 3.15 2.96 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 18 A 7.69 4.01 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 19 P 0.00 4.23 0.00 2.31 2.18 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 20 C 8.74 4.31 0.00 3.10 3.38 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 21 R 8.25 3.72 0.00 2.00 2.19 0.00 3.15 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 1.63 0.00 22 K 8.26 4.07 0.00 1.89 1.99 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.46 7.81 23 Q 7.94 4.25 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 24 T 8.15 4.32 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 25 G 8.01 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 26 C 8.17 4.94 0.00 3.00 2.96 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 27 P 0.00 4.92 0.00 2.01 2.09 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 28 N 7.98 4.69 0.00 2.77 2.78 0.00 0.00 6.72 7.17 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 29 A 8.82 5.24 1.34 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 0.00 0.00 0.00 30 K 8.82 4.74 0.00 2.01 1.57 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.45 7.81 31 C 8.85 5.18 0.00 3.04 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 32 I 8.72 4.61 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.91 0.00 0.00 33 N 9.36 4.20 0.00 2.83 2.90 0.00 0.00 6.97 6.67 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 34 K 8.59 3.94 0.00 1.92 1.87 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.40 7.81 35 S 7.85 4.63 0.00 3.88 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 36 C 8.76 5.03 0.00 2.89 3.13 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 37 K 8.88 4.31 0.00 1.76 1.49 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.58 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.35 7.81 38 C 8.60 4.99 0.00 2.93 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 39 Y 8.34 4.47 0.00 2.92 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 G 9.52 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 41 C 8.29 4.39 0.00 2.91 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