NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0422 7.8833 120.7823 61.0631 39.6371 175.4550 2 R 4.3534 8.0271 126.0514 54.3138 29.4655 175.6283 3 C 3.7453 8.5646 116.4399 57.1729 41.7846 174.9855 4 F 3.8635 8.7645 124.1437 60.3123 38.7224 175.2251 5 I 3.3058 9.9450 122.9955 60.7470 36.9461 173.3468 6 T 4.4369 8.6704 113.5490 59.3930 70.6953 172.9285 7 P 4.3754 0.0000 0.0000 64.9879 32.1791 174.8591 8 D 4.5337 8.1325 121.6009 56.0037 42.5206 178.2623 9 I 3.2371 7.3264 126.0425 62.6375 37.5412 178.0293 10 T 4.9269 8.2794 114.7939 60.8142 71.7953 174.0742 11 S 4.7346 8.1913 118.0460 58.8040 66.6932 175.4664 12 K 4.4542 9.3487 115.0692 57.4210 36.7296 174.3190 13 D 4.1918 8.4688 116.2728 56.5660 38.8418 173.4557 14 C 4.4137 9.0002 121.2427 57.5686 40.7196 173.8692 15 P 4.2160 0.0000 0.0000 64.0545 31.6572 175.8334 16 N 4.4169 8.1764 116.3145 53.7219 38.9007 173.1324 17 G 3.7254 9.7289 114.7394 45.4730 0.0000 172.8546 18 H 4.3748 7.0404 116.8462 55.4965 26.4067 173.5074 19 V 4.4823 6.6261 117.3019 62.2146 33.7139 172.7782 20 C 5.0479 9.0295 118.0124 55.5454 42.9518 172.9003 21 Y 5.3935 8.8603 123.5624 55.2640 40.1197 174.8577 22 T 5.2022 9.6657 114.6498 59.8562 72.0592 172.9974 23 K 5.1793 9.1161 122.0627 56.4071 36.5044 174.4626 24 T 5.4157 9.8557 116.5031 60.8491 71.5403 172.2592 25 W 5.5177 8.5735 121.4944 55.8206 32.0309 172.7738 26 C 5.1495 8.5016 118.1056 55.5484 40.9698 172.9588 27 D 4.3308 8.8209 115.1386 54.0184 41.0722 178.8034 28 A 3.3506 7.7650 124.3205 54.9041 19.4392 178.0043 29 F 4.8459 7.4283 111.2637 57.3840 40.3183 178.1102 30 C 4.7617 9.4046 119.7329 58.3206 43.1188 178.2656 31 S 3.0201 7.8387 108.6107 58.9234 64.7430 173.9089 32 I 4.0339 8.2257 117.6904 62.4889 38.2343 177.4970 33 R 4.4113 7.8874 117.0037 56.0869 33.2793 174.6262 34 G 3.9678 9.0310 105.3404 45.1768 0.0000 173.4427 35 K 4.4460 8.0499 118.7774 55.6109 33.9296 176.5215 36 R 4.1451 7.8253 120.8602 54.9678 31.2690 176.1188 37 V 4.8878 8.0401 123.0554 61.0529 35.0392 173.9768 38 D 4.9774 9.3824 125.6964 52.5345 44.8619 173.8124 39 L 4.8867 8.4934 124.9742 52.9528 44.7106 175.6898 40 G 3.8045 8.2125 110.0063 45.3084 0.0000 170.9032 41 C 5.2670 8.5149 120.1249 53.7163 41.2274 172.9376 42 A 4.4811 8.2311 131.7974 51.2561 18.5288 178.2791 43 A 5.0649 8.7143 121.6077 58.9389 20.0982 176.5685 44 T 3.5605 8.8758 117.3220 63.6858 67.8604 173.0771 45 C 4.3468 8.5704 121.7937 56.4526 40.2739 172.2829 46 P 4.3105 0.0000 0.0000 62.0703 31.5390 176.2212 47 T 3.8831 8.1146 114.4483 62.5169 67.2683 172.1369 48 V 3.8410 7.6096 122.5209 57.8776 33.7717 174.6974 49 K 3.4601 9.1022 122.4232 57.1240 31.5824 175.7613 50 T 3.1959 8.4608 121.1667 63.9236 66.1507 174.9811 51 G 4.0648 8.4849 109.2344 46.4636 0.0000 171.7675 52 V 4.6166 7.2984 121.2824 62.3441 35.0685 172.3498 53 D 5.0092 9.3670 123.0181 52.8841 44.7297 174.0141 54 I 5.0472 8.2562 117.2568 60.3148 41.0160 172.9377 55 Q 4.7357 9.5384 122.9108 55.4604 32.9007 172.2744 56 C 5.6566 8.5953 118.4565 55.9473 40.5803 172.2937 57 C 4.9166 9.6130 114.9210 54.6014 44.6726 175.0306 58 S 4.0316 9.3855 116.7003 62.5668 62.9570 175.9016 59 T 3.7218 7.7462 123.8670 63.8699 65.1267 175.4368 60 D 3.9681 7.0189 121.2745 55.2869 42.4378 177.7980 61 N 3.8955 7.9404 119.8143 56.2686 38.9691 174.0868 62 C 4.7235 8.5355 113.3680 54.6370 40.7508 173.0113 63 N 4.6354 8.6694 120.2510 54.0355 41.0776 172.8779 64 P 3.7460 0.0000 0.0000 62.4959 31.6005 175.5462 65 F 4.3814 8.2281 117.8554 56.1832 37.8603 173.9129 66 P 4.3547 0.0000 0.0000 62.9082 31.7848 176.8567 67 T 3.5199 8.7115 109.8868 62.2731 67.4321 173.8998 68 R 3.4535 7.9045 121.9694 58.0720 31.0645 176.2588 69 K 4.4492 12.0000 116.4105 55.6946 37.5525 173.2220 70 R 3.7427 7.9723 119.2629 54.9117 27.0934 173.7566 71 P 4.4362 0.0000 0.0000 62.5554 31.3048 176.1983 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 I 7.88 4.04 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.93 0.00 0.00 2 R 8.03 4.35 0.00 1.77 1.66 0.00 3.36 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 3 C 8.56 3.75 0.00 2.91 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 4 F 8.76 3.86 0.00 3.02 2.93 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 5 I 9.95 3.31 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.26 0.91 0.00 0.00 6 T 8.67 4.44 4.23 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 1.16 0.00 0.00 7 P 0.00 4.38 0.00 2.22 2.26 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 8 D 8.13 4.53 0.00 2.70 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 9 I 7.33 3.24 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.97 0.00 0.00 10 T 8.28 4.93 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 11 S 8.19 4.73 0.00 3.95 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 12 K 9.35 4.45 0.00 1.68 1.63 0.00 1.50 0.00 0.00 2.01 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 0.46 7.81 13 D 8.47 4.19 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.00 4.41 0.00 3.08 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 15 P 0.00 4.22 0.00 2.31 2.32 0.00 3.44 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 16 N 8.18 4.42 0.00 2.71 2.81 0.00 0.00 6.95 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 17 G 9.73 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 18 H 7.04 4.37 0.00 3.38 3.34 0.00 5.77 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 19 V 6.63 4.48 2.13 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 0.73 0.00 0.00 0.99 0.00 0.00 20 C 9.03 5.05 0.00 2.95 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 Y 8.86 5.39 0.00 2.90 3.08 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 22 T 9.67 5.20 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 1.29 0.00 0.00 23 K 9.12 5.18 0.00 1.98 2.00 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.42 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.62 7.81 24 T 9.86 5.42 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 1.39 0.00 0.00 25 W 8.57 5.52 0.00 3.70 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 26 C 8.50 5.15 0.00 2.90 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 27 D 8.82 4.33 0.00 2.83 2.80 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 28 A 7.77 3.35 0.75 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 29 F 7.43 4.85 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.40 4.76 0.00 3.03 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 31 S 7.84 3.02 0.00 3.96 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 32 I 8.23 4.03 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.94 0.00 0.00 33 R 7.89 4.41 0.00 1.72 2.01 0.00 3.10 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 34 G 9.03 3.97 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 35 K 8.05 4.45 0.00 1.59 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 36 R 7.83 4.15 0.00 0.72 0.66 0.00 3.14 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 37 V 8.04 4.89 2.13 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 0.84 0.00 0.00 0.97 0.00 0.00 38 D 9.38 4.98 0.00 3.12 2.73 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 39 L 8.49 4.89 0.00 1.44 1.57 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.21 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 0.00 0.00 0.00 41 C 8.51 5.27 0.00 2.90 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 42 A 8.23 4.48 1.20 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 0.00 0.00 43 A 8.71 5.06 1.27 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 0.00 0.00 44 T 8.88 3.56 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 1.19 0.00 0.00 45 C 8.57 4.35 0.00 2.95 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 1.58 1.57 0.00 3.53 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.68 0.00 47 T 8.11 3.88 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 1.12 0.00 0.00 48 V 7.61 3.84 2.06 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 0.79 0.00 0.00 0.91 0.00 0.00 49 K 9.10 3.46 0.00 1.81 1.78 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.32 1.34 7.81 50 T 8.46 3.20 4.21 0.00 0.00 0.00 0.00 0.00 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 51 G 8.48 4.06 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 52 V 7.30 4.62 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 0.86 0.00 0.00 0.95 0.00 0.00 53 D 9.37 5.01 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 5.05 2.03 0.00 0.00 0.82 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 0.78 0.93 0.00 0.00 55 Q 9.54 4.74 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 56 C 8.60 5.66 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 4.92 0.00 2.93 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 58 S 9.39 4.03 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 3.72 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 1.22 0.00 0.00 60 D 7.02 3.97 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 3.90 0.00 2.67 2.94 0.00 0.00 6.85 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 62 C 8.54 4.72 0.00 3.09 3.18 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 63 N 8.67 4.64 0.00 2.71 3.10 0.00 0.00 7.25 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 64 P 0.00 3.75 0.00 2.07 1.70 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 65 F 8.23 4.38 0.00 2.98 2.93 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 66 P 0.00 4.35 0.00 2.21 2.08 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 67 T 8.71 3.52 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 68 R 7.90 3.45 0.00 1.98 2.34 0.00 3.02 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 69 K 12.00 4.45 0.00 1.69 1.79 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.36 7.81 70 R 7.97 3.74 0.00 2.03 2.07 0.00 3.78 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 71 P 0.00 4.44 0.00 2.10 2.01 0.00 4.03 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 2.05 2.01 0.00