NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9760 8.3544 109.7394 45.1418 0.0000 173.7444 2 S 4.4682 7.6191 111.4208 54.6785 66.0339 171.7288 3 S 4.2871 9.4018 122.5224 61.6507 64.8809 172.7344 4 G 2.9736 7.5647 109.0685 44.5142 0.0000 175.6775 5 S 4.3862 7.2127 114.6645 56.3555 62.5060 172.7341 6 S 4.3465 7.8007 115.4722 58.2387 64.4379 176.2209 7 G 4.0177 8.5485 118.8733 45.7235 0.0000 171.0762 8 D 4.5339 7.9918 114.4353 52.8329 43.6756 175.0643 9 P 4.5910 0.0000 0.0000 64.3045 31.5939 175.9810 10 S 4.5774 7.8279 111.4722 60.1406 64.9828 175.0269 11 W 4.4143 8.0591 117.3496 56.1788 30.2167 175.8382 12 T 4.7715 8.0013 108.7265 59.2549 72.4563 174.5686 13 A 4.0419 8.4827 122.7471 55.4431 18.2718 179.9704 14 Q 3.9489 8.0280 115.9156 59.1782 28.9126 178.4836 15 E 3.9561 7.8889 119.6314 59.8421 29.6020 178.9062 16 E 4.1573 8.2685 117.6869 60.1432 29.5910 179.2288 17 M 4.1325 8.1763 117.6087 58.7159 32.2173 178.8138 18 A 4.0729 8.5324 121.0879 54.9890 18.4686 179.3346 19 L 4.1369 8.6097 119.1999 58.4764 42.1980 179.1632 20 L 3.9832 8.0304 118.1979 57.8621 41.6278 178.9664 21 E 3.9451 8.3278 118.2064 59.8563 29.5545 179.7284 22 A 4.0345 8.1589 120.2472 55.2298 17.9285 179.8773 23 V 3.7468 8.1468 116.7308 65.8030 31.3210 177.5969 24 M 4.2795 8.1236 117.3971 56.8294 32.4801 177.7579 25 D 4.5104 8.4322 118.9788 56.6142 41.1665 177.3619 26 C 4.5069 9.7440 115.5392 61.4068 29.5068 173.5826 27 G 4.3070 7.3082 103.3799 43.3981 0.0000 172.7299 28 F 3.6373 8.2286 122.7753 58.7496 39.9723 175.7524 29 G 3.0567 5.6288 114.2565 45.7232 0.0000 173.9423 30 N 4.4868 6.7493 117.4503 52.8471 38.9222 177.1944 31 W 4.7207 7.2787 122.4514 60.4808 29.0695 177.3034 32 Q 3.9735 8.0528 118.1536 59.1693 28.9105 177.0266 33 D 4.4801 8.0516 118.3058 57.6097 41.3797 178.5191 34 V 3.6090 8.0327 118.2957 65.9467 31.4641 177.5645 35 A 4.1528 8.1137 120.2090 54.7395 17.8387 178.7897 36 N 4.2138 7.9148 114.6914 56.8649 38.8070 176.8390 37 Q 4.2624 7.9393 117.2095 57.5994 29.5656 177.0835 38 M 4.3061 7.8324 118.1833 55.7469 32.1830 177.9504 39 C 3.2766 8.1253 118.3201 62.7868 28.4393 175.5847 40 T 3.8114 7.7728 108.8061 63.9332 68.0714 172.8664 41 K 4.4379 8.2276 120.5070 54.3583 36.4120 175.3766 42 T 4.3455 8.2958 110.1094 61.0448 70.2807 175.4751 43 K 3.9651 8.8237 124.5195 60.6459 32.3176 178.8004 44 E 3.7670 8.0765 118.9150 59.2926 29.4933 178.9692 45 E 4.1081 8.8237 118.9611 59.5119 29.1211 179.1518 46 C 4.7112 8.1761 116.3623 62.7646 28.2042 174.9857 47 E 2.8031 7.3014 120.9451 57.6414 29.0174 178.1754 48 K 3.7650 7.6379 118.0513 60.6079 32.5520 178.2196 49 H 3.8877 8.1341 119.4717 58.8142 29.5871 176.1983 50 Y 4.2352 7.6086 119.8876 61.4381 38.5002 178.2748 51 M 4.5049 8.7234 119.0491 57.8648 31.8640 178.4891 52 K 3.6513 7.9813 120.6493 59.8239 32.4901 178.0199 53 Y 3.8492 7.8543 116.7908 60.2082 37.7994 177.6237 54 F 4.1670 7.0030 118.3481 60.9902 39.4409 177.8116 55 S 4.6476 7.5245 114.0074 58.7669 62.3980 173.9040 56 G 4.4425 7.7891 106.4474 41.6914 0.0000 172.1413 57 P 4.3388 0.0000 0.0000 64.9071 31.6728 176.7882 58 S 4.5511 7.3746 111.3000 55.2801 65.2425 172.5905 59 S 3.9866 8.2563 122.3292 59.9110 62.1546 175.0121 60 G 3.3308 8.3318 113.4877 45.9534 0.0000 171.1137 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 G 8.35 3.98 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 0.00 0.00 0.00 2 S 7.62 4.47 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 9.40 4.29 0.00 4.04 3.99 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 4 G 7.56 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 0.00 0.00 0.00 5 S 7.21 4.39 0.00 3.99 3.93 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 6 S 7.80 4.35 0.00 3.81 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 7 G 8.55 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 8 D 7.99 4.53 0.00 2.76 2.65 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 9 P 0.00 4.59 0.00 2.25 2.18 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 10 S 7.83 4.58 0.00 4.29 4.08 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 11 W 8.06 4.41 0.00 3.18 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 12 T 8.00 4.77 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 13 A 8.48 4.04 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 14 Q 8.03 3.95 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 15 E 7.89 3.96 0.00 2.23 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 1.67 1.90 0.00 16 E 8.27 4.16 0.00 2.30 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 2.35 2.65 0.00 17 M 8.18 4.13 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.64 0.00 18 A 8.53 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.61 4.14 0.00 2.31 2.30 1.38 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.03 3.98 0.00 1.98 1.68 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.33 3.95 0.00 2.18 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 2.48 2.55 0.00 22 A 8.16 4.03 1.40 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 0.00 0.00 23 V 8.15 3.75 2.33 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 1.01 0.00 0.00 1.05 0.00 0.00 24 M 8.12 4.28 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 25 D 8.43 4.51 0.00 2.74 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 26 C 9.74 4.51 0.00 2.92 2.91 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 0.00 0.00 0.00 27 G 7.31 4.31 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 0.00 28 F 8.23 3.64 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.63 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 0.00 0.00 0.00 30 N 6.75 4.49 0.00 2.55 2.70 0.00 0.00 6.80 7.33 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 31 W 7.28 4.72 0.00 3.30 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 32 Q 8.05 3.97 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 33 D 8.05 4.48 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.61 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 35 A 8.11 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.91 4.21 0.00 2.85 2.91 0.00 0.00 7.17 7.25 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 37 Q 7.94 4.26 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 38 M 7.83 4.31 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.94 0.00 39 C 8.13 3.28 0.00 2.91 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 T 7.77 3.81 3.98 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 1.12 0.00 0.00 41 K 8.23 4.44 0.00 1.43 1.77 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.24 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.84 0.38 7.81 42 T 8.30 4.35 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 1.20 0.00 0.00 43 K 8.82 3.97 0.00 2.28 2.22 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.58 7.81 44 E 8.08 3.77 0.00 1.96 1.97 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 2.36 2.32 0.00 45 E 8.82 4.11 0.00 2.27 2.37 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 2.44 2.40 0.00 46 C 8.18 4.71 0.00 3.22 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.30 2.80 0.00 1.16 1.12 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 1.82 1.48 0.00 48 K 7.64 3.76 0.00 1.98 1.99 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.44 7.81 49 H 8.13 3.89 0.00 2.88 2.96 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.61 4.24 0.00 3.57 3.35 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 0.00 0.00 0.00 0.00 51 M 8.72 4.50 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.10 0.00 52 K 7.98 3.65 0.00 1.96 1.59 0.00 1.46 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.09 1.25 7.81 53 Y 7.85 3.85 0.00 2.30 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.00 4.17 0.00 2.49 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.65 0.00 4.05 4.09 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 56 G 7.79 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.16 2.17 0.00 3.63 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 1.93 1.91 0.00 58 S 7.37 4.55 0.00 3.75 3.66 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 0.00 0.00 0.00 0.00 59 S 8.26 3.99 0.00 3.88 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 60 G 8.33 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 0.00 0.00 0.00