NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4673 8.1627 120.3271 55.6068 34.3302 177.3893 2 D 4.1661 7.9863 117.4349 56.9474 41.2153 176.5594 3 S 4.1568 8.8503 116.5494 61.7712 63.2224 175.8410 4 N 4.6289 8.0544 119.9366 56.0203 38.2910 177.4321 5 T 3.8869 7.6732 116.5095 66.6574 68.4876 176.3602 6 M 4.0758 7.9256 119.9978 58.7960 32.3055 178.4341 7 S 4.6552 8.2076 115.8656 61.2323 63.1042 176.5965 8 S 4.1994 8.4966 118.9942 61.1180 62.4353 176.4699 9 F 4.2515 8.3370 123.4803 61.3243 39.1124 177.1911 10 Q 3.9484 8.2956 117.7240 59.1393 28.4989 179.1778 11 V 3.7309 7.9672 119.1604 66.0692 31.5649 177.7641 12 D 4.3920 8.2693 118.7532 57.4165 40.6017 178.5718 13 C 4.0279 8.0669 117.4935 62.8010 28.2331 175.9833 14 F 4.3429 8.1965 122.1545 61.3314 39.0019 177.2211 15 L 3.8431 8.4146 119.1002 57.3229 41.3415 179.2796 16 W 3.9081 8.3096 128.5599 60.4763 30.5258 177.4493 17 H 4.1526 8.2948 118.2831 59.3237 29.2080 177.2866 18 I 3.4078 7.1426 121.1194 64.3694 36.8321 178.5937 19 R 4.0058 7.6707 118.8076 59.0566 29.7416 179.0195 20 K 3.4816 7.6231 119.6537 59.5095 31.8677 179.1021 21 R 3.8050 7.6926 117.1957 59.0213 30.0429 178.5895 22 F 4.1763 8.4899 120.5939 61.2205 39.3799 177.1188 23 A 3.9090 8.4067 120.6568 55.2496 17.9517 179.3532 24 D 4.2970 8.1303 116.7330 57.1413 40.9272 177.8204 25 N 4.5821 7.4861 114.7222 52.7793 38.6990 175.4713 26 G 3.7296 7.6516 108.4663 46.5225 0.0000 174.6141 27 L 4.0304 7.2692 117.8215 53.9826 42.2667 176.9562 28 G 3.7590 7.2984 108.6086 44.4785 0.0000 174.2368 29 D 4.7037 8.4268 123.4984 51.9191 42.3837 177.3321 30 A 4.0199 8.4462 120.2954 55.1498 18.2700 178.0048 31 P 4.2566 0.0000 0.0000 65.4577 31.3629 178.5628 32 F 4.0262 8.7123 119.6785 61.4188 39.3343 177.2692 33 L 4.1074 8.1558 118.4606 57.6543 41.2895 179.0083 34 D 4.3399 8.3179 118.1325 57.4450 41.1357 178.5058 35 R 3.8608 8.0768 118.6331 59.0523 30.0679 178.6818 36 L 3.8962 7.8485 120.1807 58.1585 42.0294 179.1234 37 R 4.0004 8.1581 118.4407 59.6769 30.1356 178.7210 38 R 3.9793 8.2967 118.1384 59.4354 29.9931 178.8769 39 D 4.5811 8.5904 120.4494 56.5999 40.8012 178.5726 40 Q 3.2274 8.1837 120.2630 58.6839 29.0189 178.2554 41 K 3.8942 7.8524 120.4621 59.5477 32.1816 178.9681 42 S 4.1514 8.1216 114.5574 61.4591 62.7490 176.4542 43 L 4.1442 8.2929 123.0060 57.4509 41.3260 179.5527 44 K 4.0463 8.1550 118.6294 59.3509 31.9929 179.6195 45 G 3.5602 8.0807 105.9357 47.9139 0.0000 175.9930 46 R 3.9451 8.4742 121.3878 58.7955 29.9831 179.3774 47 G 3.2181 8.2849 105.8064 47.5864 0.0000 175.5853 48 N 4.2717 8.0080 118.6271 56.4167 38.4000 177.5425 49 T 3.8242 7.4786 115.6224 66.7631 68.6935 176.3419 50 L 4.1179 7.8004 118.7058 54.8404 41.8171 177.3179 51 G 3.8223 7.4599 106.6050 46.5910 0.0000 173.2501 52 L 4.6877 7.7492 119.4625 52.1113 44.0593 176.8782 53 D 4.5319 8.5910 122.8764 54.0699 42.6570 177.0547 54 I 3.7889 8.4479 127.7961 64.4392 36.9532 178.0885 55 E 3.9441 8.1584 119.6905 59.5801 29.4074 178.9150 56 T 3.9317 8.4346 115.5343 66.6472 68.4852 176.5911 57 A 4.0498 8.1612 122.6621 55.4592 18.2780 179.6716 58 T 3.8908 8.1438 114.3739 66.9910 68.4207 176.8117 59 L 3.9219 7.6399 119.4761 57.5622 41.6127 179.7910 60 V 3.6827 7.6939 118.6356 65.9178 31.4839 178.3594 61 G 3.6509 8.3938 105.9023 47.4407 0.0000 175.3583 62 K 2.0000 7.8845 122.1604 58.8333 32.1676 178.5876 63 Q 4.0076 7.5125 119.6308 59.1707 28.9651 178.2942 64 I 3.7954 7.5466 120.3350 64.5035 37.1724 178.6366 65 V 3.6830 7.9172 119.1246 66.0334 31.3427 177.7689 66 E 3.8857 8.4036 118.7145 59.3421 29.2073 179.4903 67 W 3.9801 8.1262 118.6422 59.4958 28.8342 178.7194 68 I 3.9627 7.6112 119.1993 64.5319 36.5044 178.1627 69 L 4.1506 8.1442 119.8898 57.5028 41.1752 179.5337 70 K 3.7352 7.9573 119.1251 59.4174 32.2177 178.4697 71 E 4.2288 8.3611 116.7473 59.2937 29.4510 176.6772 72 E 4.1787 7.6510 122.8376 56.4813 29.6109 176.2486 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 M 8.16 4.47 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 2 D 7.99 4.17 0.00 2.86 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 3 S 8.85 4.16 0.00 3.91 3.91 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 4 N 8.05 4.63 0.00 2.92 2.89 0.00 0.00 7.63 7.05 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 5 T 7.67 3.89 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 1.21 0.00 0.00 6 M 7.93 4.08 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 7 S 8.21 4.66 0.00 4.12 4.14 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 8 S 8.50 4.20 0.00 4.11 4.01 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 9 F 8.34 4.25 0.00 3.22 3.28 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 10 Q 8.30 3.95 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 11 V 7.97 3.73 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 1.20 0.00 0.00 0.99 0.00 0.00 12 D 8.27 4.39 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.07 4.03 0.00 2.91 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 14 F 8.20 4.34 0.00 3.32 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 15 L 8.41 3.84 0.00 1.73 1.67 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.31 3.91 0.00 3.49 3.36 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 17 H 8.29 4.15 0.00 3.47 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.14 3.41 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.24 0.78 0.00 0.00 19 R 7.67 4.01 0.00 1.59 1.69 0.00 2.54 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 20 K 7.62 3.48 0.00 0.79 1.35 0.00 1.37 0.00 0.00 1.34 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.36 7.81 21 R 7.69 3.80 0.00 1.83 1.91 0.00 3.30 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 22 F 8.49 4.18 0.00 3.04 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 23 A 8.41 3.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.30 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.49 4.58 0.00 2.55 2.66 0.00 0.00 7.03 7.80 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 26 G 7.65 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 27 L 7.27 4.03 0.00 0.27 0.96 0.53 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.30 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 29 D 8.43 4.70 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.02 1.37 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 0.00 0.00 0.00 31 P 0.00 4.26 0.00 2.23 2.14 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.71 4.03 0.00 3.33 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 33 L 8.16 4.11 0.00 1.96 1.77 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.32 4.34 0.00 2.82 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 35 R 8.08 3.86 0.00 1.81 1.82 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 36 L 7.85 3.90 0.00 1.58 1.84 -0.06 0.65 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 37 R 8.16 4.00 0.00 2.05 2.11 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 38 R 8.30 3.98 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 39 D 8.59 4.58 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 3.23 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.01 1.36 0.00 41 K 7.85 3.89 0.00 1.84 1.91 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 42 S 8.12 4.15 0.00 4.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.14 0.00 1.63 1.66 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.15 4.05 0.00 2.04 1.82 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.46 7.81 45 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.95 0.00 2.08 1.85 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 47 G 8.28 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 0.00 0.00 0.00 48 N 8.01 4.27 0.00 3.03 2.82 0.00 0.00 6.99 7.08 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 49 T 7.48 3.82 4.27 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 1.15 0.00 0.00 50 L 7.80 4.12 0.00 1.24 1.52 0.51 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.46 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.75 4.69 0.00 1.46 1.73 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.59 4.53 0.00 2.81 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 54 I 8.45 3.79 1.87 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 1.69 0.62 0.82 0.00 0.00 55 E 8.16 3.94 0.00 2.06 2.15 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 2.40 2.43 0.00 56 T 8.43 3.93 4.42 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 1.24 0.00 0.00 57 A 8.16 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 3.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 59 L 7.64 3.92 0.00 1.89 1.69 0.93 0.78 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 60 V 7.69 3.68 2.21 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 1.06 0.00 0.00 0.98 0.00 0.00 61 G 8.39 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 62 K 7.88 2.00 0.00 1.22 1.67 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.17 0.63 7.81 63 Q 7.51 4.01 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 64 I 7.55 3.80 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.97 0.00 0.00 65 V 7.92 3.68 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 1.27 0.00 0.00 1.17 0.00 0.00 66 E 8.40 3.89 0.00 2.08 1.74 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 2.22 2.31 0.00 67 W 8.13 3.98 0.00 3.57 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 68 I 7.61 3.96 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.96 0.00 0.00 69 L 8.14 4.15 0.00 1.79 1.71 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.96 3.74 0.00 1.49 1.68 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.19 7.81 71 E 8.36 4.23 0.00 2.27 2.30 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 2.62 2.43 0.00 72 E 7.65 4.18 0.00 2.00 1.92 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 2.37 2.41 0.00