NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3921 8.2493 123.5851 52.4874 19.8444 174.5829 2 V 4.2798 8.0732 124.7235 62.1424 37.7864 173.0666 3 G 4.1216 7.8818 114.9464 45.3245 0.0000 174.9129 4 D 4.9066 8.7459 123.6366 52.8280 39.7752 176.1093 5 R 4.5525 7.8505 115.1643 55.4861 31.9226 174.7998 6 C 4.9072 8.2908 115.3904 55.2814 42.9593 172.5634 7 E 4.4512 8.2839 119.8044 55.8089 31.1769 175.8011 8 R 4.3147 8.4729 116.6966 57.6506 31.4334 177.0846 9 N 4.9523 7.7902 117.0125 51.1813 35.7694 172.7090 10 E 5.5605 7.5685 118.0089 55.4069 34.1563 175.3882 11 F 5.0229 8.7210 119.8611 56.7239 43.1024 173.8613 12 Q 4.6635 8.3973 127.0563 54.1547 28.7056 175.6126 13 C 3.7916 7.8984 126.8672 55.9473 44.2819 174.1070 14 Q 3.7215 8.4610 122.2223 58.3416 28.9678 176.9552 15 D 4.4071 7.4777 117.5072 57.6381 39.6309 176.6624 16 G 3.3191 6.5745 108.0534 44.8731 0.0000 172.7162 17 K 4.7883 8.0434 120.7730 54.1720 36.4400 172.8499 18 C 5.9054 8.9216 116.5715 52.7975 43.6981 172.9794 19 I 4.9787 8.1734 113.3417 58.9555 41.7500 174.4966 20 S 4.5147 8.8722 118.4213 58.4901 63.1853 175.2950 21 Y 4.1291 8.1857 124.2067 60.2676 38.8416 178.7205 22 K 3.6395 7.3413 118.3497 58.9634 32.0463 177.7004 23 W 5.7634 6.8903 115.1757 56.5970 29.1529 176.3938 24 V 3.6536 7.0450 119.6944 63.3694 32.1439 173.6089 25 C 4.3468 7.6044 119.3097 56.5369 40.7569 172.2505 26 D 4.3974 7.6195 119.5607 55.6379 42.4806 176.5352 27 G 4.2798 8.9913 107.0837 45.4721 0.0000 174.2388 28 S 4.2987 8.3221 109.7932 57.6701 63.2569 174.3082 29 A 3.9818 8.0823 117.3678 52.9453 15.5766 177.5203 30 E 4.7222 8.6047 118.2481 55.4143 30.8925 176.6321 31 C 4.5501 8.2182 115.2965 58.2817 44.1492 172.8261 32 Q 3.4424 8.1706 115.0833 56.1295 26.9938 172.3655 33 D 4.2567 7.2987 119.3058 54.6280 47.3800 174.9761 34 G 3.1256 7.2400 107.6601 44.8732 0.0000 174.3394 35 S 4.6356 7.6774 110.6790 59.3164 66.4108 175.7704 36 D 4.8551 8.2953 119.5687 54.1593 39.5084 177.4736 37 E 4.0330 7.6379 119.1281 57.9064 29.9038 176.4477 38 S 4.1714 7.9982 113.8660 58.5082 61.9632 174.2934 39 Q 3.9750 8.6751 127.9517 58.8749 28.7581 178.9604 40 E 3.9992 8.2674 116.0105 59.3778 29.7007 178.1148 41 T 4.1486 7.7079 112.3686 63.7858 67.3672 173.7152 42 C 4.4277 7.5554 118.5032 55.5623 45.6069 176.1559 43 L 3.3871 7.9397 119.1996 54.8211 41.6963 174.9881 44 S 4.6793 8.4138 113.6231 57.4435 64.2195 172.2928 45 V 4.3421 7.6439 126.3572 62.7920 35.7127 174.5998 46 T 3.7671 7.8561 120.4696 64.1183 68.3953 172.0556 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 A 8.25 4.39 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 2 V 8.07 4.28 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 0.53 0.00 0.00 0.94 0.00 0.00 3 G 7.88 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 4 D 8.75 4.91 0.00 2.76 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 5 R 7.85 4.55 0.00 1.91 1.95 0.00 2.99 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 6 C 8.29 4.91 0.00 2.95 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 7 E 8.28 4.45 0.00 1.97 1.93 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 2.28 2.34 0.00 8 R 8.47 4.31 0.00 1.77 1.95 0.00 3.16 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 9 N 7.79 4.95 0.00 2.70 2.90 0.00 0.00 5.76 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 10 E 7.57 5.56 0.00 2.04 2.05 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 2.26 2.18 0.00 11 F 8.72 5.02 0.00 3.21 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 12 Q 8.40 4.66 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.72 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 13 C 7.90 3.79 0.00 2.82 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 14 Q 8.46 3.72 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 15 D 7.48 4.41 0.00 2.74 2.77 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 16 G 6.57 3.32 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 0.00 17 K 8.04 4.79 0.00 2.02 1.61 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 18 C 8.92 5.91 0.00 3.01 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 19 I 8.17 4.98 2.15 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.14 1.05 0.00 0.00 20 S 8.87 4.51 0.00 2.86 3.58 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 21 Y 8.19 4.13 0.00 3.01 2.92 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 22 K 7.34 3.64 0.00 0.79 0.99 0.00 1.45 0.00 0.00 0.68 0.00 0.00 2.60 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.08 1.03 7.81 23 W 6.89 5.76 0.00 3.35 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.05 3.65 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.99 0.00 0.00 25 C 7.60 4.35 0.00 3.05 2.94 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 26 D 7.62 4.40 0.00 2.69 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 27 G 8.99 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.30 0.00 3.79 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 29 A 8.08 3.98 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 E 8.60 4.72 0.00 2.03 2.05 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 2.21 2.70 0.00 31 C 8.22 4.55 0.00 3.35 3.29 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 32 Q 8.17 3.44 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 33 D 7.30 4.26 0.00 2.74 2.57 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 34 G 7.24 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 0.00 0.00 0.00 35 S 7.68 4.64 0.00 3.92 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 36 D 8.30 4.86 0.00 2.93 3.14 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 0.00 0.00 0.00 0.00 37 E 7.64 4.03 0.00 2.08 2.05 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 2.34 2.39 0.00 38 S 8.00 4.17 0.00 3.95 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 39 Q 8.68 3.97 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.42 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 40 E 8.27 4.00 0.00 1.97 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 0.00 2.33 2.28 0.00 41 T 7.71 4.15 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 42 C 7.56 4.43 0.00 2.70 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 43 L 7.94 3.39 0.00 1.83 1.50 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.41 4.68 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.64 4.34 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 0.97 0.00 0.00 0.90 0.00 0.00 46 T 7.86 3.77 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 1.21 0.00 0.00