NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4234 8.3049 120.3488 54.7893 32.8855 175.1752 2 K 3.9857 8.5990 126.4880 56.0546 32.7424 175.0843 3 K 4.7127 9.0644 122.0094 54.7090 36.8325 175.5351 4 R 4.5942 8.2433 119.2260 54.8587 31.9450 176.1525 5 L 4.4868 8.0275 121.4961 54.0506 44.8000 175.2892 6 T 4.3567 8.5460 123.5227 62.2989 69.1775 173.9716 7 I 4.6557 8.1522 119.0660 58.8858 40.7854 174.4481 8 T 4.6365 8.2455 109.7268 59.7103 70.8251 173.3314 9 L 4.8226 8.1822 124.2368 52.0339 45.6199 176.9295 10 S 4.2433 8.6979 118.2443 58.6654 63.8951 175.1986 11 E 3.8136 8.6705 128.1773 59.3973 29.9051 179.3611 12 S 4.0425 8.0748 113.9018 61.5281 63.2147 176.3607 13 V 3.6625 7.5877 121.2838 65.1768 31.2536 177.7697 14 L 3.9407 8.3927 120.7426 58.0992 41.9927 178.5018 15 E 3.9362 8.7073 119.0606 59.6458 29.5422 178.7664 16 N 4.5069 8.1557 115.6814 55.3947 39.0526 176.7927 17 L 3.9330 7.6356 121.8903 58.1902 42.1359 178.1699 18 E 3.8713 8.4511 119.5965 59.3837 29.7621 178.1133 19 K 3.7661 7.9382 119.3247 60.4190 31.6198 178.1395 20 M 4.0372 8.1652 117.9326 58.4041 31.8929 178.8674 21 A 3.9789 8.0900 120.6722 55.5105 18.5419 178.9863 22 R 3.7863 8.3025 117.3242 59.9590 29.8584 178.1391 23 E 3.6749 8.1499 118.5704 58.8176 29.8166 177.9379 24 M 4.4747 7.5023 115.5860 53.9619 32.8867 175.6946 25 G 4.0209 8.7204 107.7873 46.7273 0.0000 173.2520 26 L 4.8562 7.9181 116.6678 51.7516 45.9089 177.4464 27 S 4.5469 8.1892 115.0301 57.3895 65.5678 175.3369 28 K 3.8797 8.4661 121.6362 59.9665 31.8326 179.3836 29 S 4.1217 8.2283 114.4669 61.7497 62.4853 176.7506 30 A 3.9517 7.6014 121.7533 55.4389 18.4118 178.8552 31 M 4.0401 8.6602 117.0414 59.0422 32.2202 178.0923 32 I 3.6590 8.2591 120.0011 64.8899 37.4356 178.3582 33 S 4.0739 8.1852 113.4917 61.1792 62.1280 176.3048 34 V 3.5224 8.1239 121.4276 65.7101 31.3565 177.4900 35 A 4.0231 8.0559 119.8990 55.4330 18.0079 179.3518 36 L 3.9310 8.1109 117.1767 58.2504 41.5576 179.8221 37 E 4.0727 7.9666 116.6819 58.9069 29.5043 178.7976 38 N 4.4262 8.6128 117.9867 56.7706 38.6457 175.8963 39 Y 4.0508 8.4109 121.3785 60.9941 38.6047 178.1693 40 K 3.7317 7.8137 118.7522 59.6406 32.4142 178.2704 41 K 4.1424 8.4601 120.3736 59.2249 32.1153 178.9675 42 G 3.7218 7.1666 105.0709 46.5627 0.0000 173.0229 43 Q 4.0850 7.7284 124.1493 56.0529 29.2357 173.0740 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 8.30 4.42 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 K 8.60 3.99 0.00 1.87 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 K 9.06 4.71 0.00 1.68 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 4 R 8.24 4.59 0.00 1.79 1.84 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 5 L 8.03 4.49 0.00 1.51 1.48 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.55 4.36 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 1.21 0.00 0.00 7 I 8.15 4.66 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 1.46 0.66 0.90 0.00 0.00 8 T 8.25 4.64 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 1.20 0.00 0.00 9 L 8.18 4.82 0.00 1.59 1.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.70 4.24 0.00 3.86 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 11 E 8.67 3.81 0.00 2.03 1.94 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 2.38 2.42 0.00 12 S 8.07 4.04 0.00 4.08 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 13 V 7.59 3.66 2.19 0.00 0.00 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 0.93 0.00 0.00 14 L 8.39 3.94 0.00 1.74 1.83 0.95 0.92 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 15 E 8.71 3.94 0.00 2.27 2.00 0.00 0.00 0.00 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 2.33 0.00 16 N 8.16 4.51 0.00 2.87 2.80 0.00 0.00 6.89 6.53 0.00 0.00 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 L 7.64 3.93 0.00 1.93 1.81 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.45 3.87 0.00 2.32 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 2.31 2.36 0.00 19 K 7.94 3.77 0.00 1.88 1.96 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.52 7.81 20 M 8.17 4.04 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 21 A 8.09 3.98 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 22 R 8.30 3.79 0.00 2.02 2.00 0.00 3.12 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 23 E 8.15 3.67 0.00 2.04 2.02 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 2.35 2.50 0.00 24 M 7.50 4.47 0.00 2.01 2.11 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 2.61 2.57 0.00 25 G 8.72 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 26 L 7.92 4.86 0.00 1.59 1.54 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.19 4.55 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 28 K 8.47 3.88 0.00 1.81 1.90 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.54 7.81 29 S 8.23 4.12 0.00 3.86 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 30 A 7.60 3.95 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 31 M 8.66 4.04 0.00 2.02 2.21 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 2.60 2.74 0.00 32 I 8.26 3.66 2.10 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 1.39 0.44 0.90 0.00 0.00 33 S 8.19 4.07 0.00 4.15 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 34 V 8.12 3.52 2.20 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 0.89 0.00 0.00 1.00 0.00 0.00 35 A 8.06 4.02 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 36 L 8.11 3.93 0.00 1.96 1.74 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.97 4.07 0.00 2.20 2.03 0.00 0.00 0.00 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 2.47 0.00 38 N 8.61 4.43 0.00 2.84 3.01 0.00 0.00 6.65 7.59 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 39 Y 8.41 4.05 0.00 2.99 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 40 K 7.81 3.73 0.00 1.82 2.09 0.00 2.05 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 41 K 8.46 4.14 0.00 2.09 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 G 7.17 3.72 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 0.00 0.00 0.00 43 Q 7.73 4.08 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00