NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6853 8.3249 119.4585 57.3891 40.3954 173.9318 2 E 4.4681 8.4778 122.6638 53.4150 31.6123 174.3264 3 N 4.4708 9.5114 121.9231 54.2570 39.1833 174.2619 4 R 4.6452 8.3910 125.0889 56.0210 31.2427 178.6042 5 V 3.6245 8.5409 120.4395 66.3773 31.3972 177.6783 6 A 4.5702 7.9782 121.0272 54.6496 18.0489 179.3597 7 E 3.9543 8.1154 116.7519 59.5306 29.6058 179.4852 8 K 4.0808 7.7890 117.6763 59.4450 31.9934 179.3688 9 Q 4.1221 8.7379 118.8646 58.8543 28.3993 178.9717 10 K 3.9501 7.7961 119.5513 59.3189 32.4609 178.2872 11 L 3.9157 8.0234 120.7695 58.2644 41.8325 178.7761 12 F 4.2997 8.2110 115.3691 59.2185 39.1097 176.8539 13 Q 4.3937 7.8204 116.2536 55.0058 29.2212 175.5855 14 E 3.9077 7.2418 122.1637 56.5877 30.2120 177.3614 15 D 4.6553 8.4961 127.3233 53.3156 39.4174 174.9676 16 N 4.7652 7.9801 114.6631 51.3465 38.2852 176.0078 17 G 3.9353 8.1647 105.0015 46.4715 0.0000 173.5211 18 L 4.2960 8.0144 119.7918 52.6532 42.5736 175.3894 19 P 4.4358 0.0000 0.0000 62.3858 31.6338 177.6526 20 V 3.7589 8.5058 119.9563 65.1041 31.2581 177.7328 21 H 4.4083 8.2435 114.1821 57.1094 28.5932 175.4588 22 L 4.6457 8.0316 119.1235 54.1876 43.0852 177.8594 23 K 4.1181 7.9076 119.2116 58.2934 32.2674 177.6476 24 G 3.7517 8.5730 106.5552 46.1819 0.0000 172.8955 25 G 3.7610 7.7031 105.3018 44.0710 0.0000 174.0414 26 A 4.0502 8.7076 118.9401 55.3765 18.3360 180.0925 27 T 3.8608 7.9609 114.0716 67.0152 68.4679 176.0305 28 D 4.4781 8.0659 120.2907 57.5308 40.7499 178.8568 29 N 4.4232 8.0091 116.2401 56.5549 38.6534 176.8854 30 I 3.6940 7.6423 120.8079 64.6781 37.2188 177.8536 31 L 3.9447 8.1670 120.5501 58.5506 41.8544 178.5601 32 Y 4.0929 8.3368 119.2684 60.9544 38.8577 178.4304 33 R 3.6914 8.3096 119.0976 58.9720 30.0901 179.3596 34 V 3.4908 8.1140 118.4320 66.2171 31.5543 177.9607 35 T 3.7946 7.8412 115.5229 67.1896 68.3068 176.3076 36 M 4.0010 8.0608 119.9482 58.4537 32.0150 178.5515 37 T 3.7903 7.6655 116.0664 66.5120 68.7044 176.4142 38 L 3.9419 7.8821 120.9040 58.1754 41.6647 179.4696 39 C 4.0890 8.3573 116.5645 63.0137 28.1959 176.3401 40 L 4.1189 8.2247 120.7865 57.4992 41.1131 179.6594 41 G 3.7413 8.8211 106.5774 48.0418 0.0000 176.0040 42 G 3.7343 8.5908 109.2913 47.5742 0.0000 175.8894 43 T 4.0157 8.0367 118.0479 66.4341 68.4563 176.9199 44 L 4.0977 7.9137 121.0143 57.8398 41.5765 178.8739 45 Y 4.4330 8.3743 120.1067 60.7813 38.6776 178.2142 46 S 3.9539 8.5256 115.7081 61.2337 62.9577 176.5099 47 L 3.9556 8.1054 122.5372 57.6993 41.3518 178.4516 48 Y 4.1400 8.1114 119.4079 61.2099 38.6337 177.9757 49 C 3.9244 8.2100 117.3446 62.9678 27.9702 176.0505 50 L 4.0547 8.3017 122.0820 58.0879 41.4067 179.2827 51 G 3.6453 8.0264 105.0157 47.3374 0.0000 175.1594 52 W 4.2089 8.2615 130.8376 60.2835 30.6132 177.7505 53 A 3.9636 8.1432 117.9789 54.0220 17.9809 179.1714 54 S 3.9497 7.6231 112.9008 59.2974 63.2491 174.2498 55 F 4.6252 6.7438 118.7426 54.3381 40.9848 173.8708 56 P 4.2676 0.0000 0.0000 63.0264 31.9659 176.1399 57 H 4.4565 8.3013 115.6726 56.1013 29.2306 173.8709 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 F 8.32 4.69 0.00 2.95 3.10 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 0.00 0.00 0.00 0.00 2 E 8.48 4.47 0.00 2.05 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 2.25 2.38 0.00 3 N 9.51 4.47 0.00 2.71 2.79 0.00 0.00 6.90 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 4 R 8.39 4.65 0.00 1.90 1.91 0.00 3.59 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 5 V 8.54 3.62 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 0.91 0.00 0.00 0.98 0.00 0.00 6 A 7.98 4.57 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 7 E 8.12 3.95 0.00 2.05 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 2.41 0.00 8 K 7.79 4.08 0.00 2.06 2.15 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.75 7.81 9 Q 8.74 4.12 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 10 K 7.80 3.95 0.00 1.91 1.95 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 11 L 8.02 3.92 0.00 1.59 1.49 0.66 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.21 4.30 0.00 3.08 3.12 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 13 Q 7.82 4.39 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 14 E 7.24 3.91 0.00 1.95 1.91 0.00 0.00 0.00 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 2.23 0.00 15 D 8.50 4.66 0.00 2.68 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 16 N 7.98 4.77 0.00 2.79 2.83 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.16 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 18 L 8.01 4.30 0.00 1.77 1.58 0.92 0.88 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 19 P 0.00 4.44 0.00 2.15 2.17 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 20 V 8.51 3.76 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 0.84 0.00 0.00 0.88 0.00 0.00 21 H 8.24 4.41 0.00 3.30 3.45 0.00 5.46 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.03 4.65 0.00 1.50 1.58 0.70 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.91 4.12 0.00 2.03 2.22 0.00 2.10 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.39 7.81 24 G 8.57 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 0.00 0.00 0.00 25 G 7.70 3.76 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 0.00 0.00 0.00 26 A 8.71 4.05 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 27 T 7.96 3.86 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 1.24 0.00 0.00 28 D 8.07 4.48 0.00 3.00 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 29 N 8.01 4.42 0.00 2.91 2.93 0.00 0.00 7.11 7.26 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 30 I 7.64 3.69 2.03 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 1.43 0.86 0.93 0.00 0.00 31 L 8.17 3.94 0.00 1.96 1.76 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.34 4.09 0.00 3.23 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 33 R 8.31 3.69 0.00 2.14 1.95 0.00 3.30 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 34 V 8.11 3.49 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 1.01 0.00 0.00 0.92 0.00 0.00 35 T 7.84 3.79 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 1.18 0.00 0.00 36 M 8.06 4.00 0.00 1.60 1.53 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 37 T 7.67 3.79 4.33 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 1.17 0.00 0.00 38 L 7.88 3.94 0.00 1.82 1.72 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.36 4.09 0.00 3.04 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 L 8.22 4.12 0.00 1.66 1.71 0.91 1.16 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 41 G 8.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.59 3.73 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 0.00 0.00 0.00 43 T 8.04 4.02 4.40 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 1.24 0.00 0.00 44 L 7.91 4.10 0.00 1.97 1.79 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.37 4.43 0.00 3.05 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 46 S 8.53 3.95 0.00 4.03 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 47 L 8.11 3.96 0.00 1.97 1.82 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.11 4.14 0.00 3.23 3.30 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 49 C 8.21 3.92 0.00 3.06 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 50 L 8.30 4.05 0.00 1.75 1.96 0.92 1.19 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 51 G 8.03 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.26 4.21 0.00 3.05 3.33 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 53 A 8.14 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 3.95 0.00 3.84 3.34 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 55 F 6.74 4.63 0.00 2.83 2.83 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 0.00 0.00 0.00 56 P 0.00 4.27 0.00 2.09 1.96 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 57 H 8.30 4.46 0.00 3.02 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00