NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0047 8.3549 109.7361 45.2110 0.0000 174.2888 2 S 4.3100 8.1244 112.3487 57.2788 65.3787 172.4146 3 S 4.6145 7.6036 111.2891 57.6050 66.8149 172.9887 4 G 3.8149 8.8403 106.6330 46.2725 0.0000 172.9316 5 S 4.7194 7.8487 113.7334 55.5910 64.1356 173.8350 6 S 4.1750 8.9749 122.9133 61.8370 62.8348 172.8047 7 G 3.1941 7.3737 107.0678 44.9049 0.0000 173.4487 8 R 4.6089 7.7739 122.2495 56.1504 31.1988 176.3890 9 K 4.5262 7.8587 115.6913 55.2348 35.1707 174.8138 10 K 3.7981 8.5764 114.7068 57.3384 29.4836 176.4242 11 R 4.2088 7.8453 117.6361 55.5545 30.9635 176.2806 12 I 3.7095 8.2649 119.0455 61.8928 37.4098 174.9899 13 P 4.2797 0.0000 0.0000 62.8506 33.1783 171.1184 14 Y 3.6751 7.9817 123.2130 58.1674 36.3643 170.6692 15 S 4.4758 9.3099 121.7656 57.5057 65.2183 175.3466 16 K 3.9980 8.6729 122.5873 60.5061 31.7662 179.3863 17 G 3.6167 7.9644 105.3360 47.1540 0.0000 175.4538 18 Q 4.1116 7.7596 119.7992 58.8895 29.1863 178.3173 19 L 3.5005 8.0877 119.8783 57.0957 41.1171 179.4273 20 R 3.8974 7.7293 118.8622 59.4639 29.9599 178.2597 21 E 4.1142 7.8994 118.1689 58.8297 29.5405 179.1132 22 L 3.9887 7.3624 118.5403 57.8013 41.6114 178.9218 23 E 4.1852 8.2569 118.6928 59.6822 29.2884 179.6910 24 R 3.9541 7.6042 116.4078 59.5685 30.2178 178.9498 25 E 4.0974 8.3951 118.1555 59.5452 29.2340 178.9050 26 Y 4.5756 8.6828 120.1963 60.3882 38.9936 177.5605 27 A 3.8938 8.1460 120.1433 55.2383 18.3960 179.0786 28 A 4.2191 7.5782 118.6395 53.7168 18.9771 177.9102 29 N 4.7122 7.7491 113.4624 51.7557 40.4689 175.9007 30 K 3.8181 8.8830 122.7360 58.4163 32.4742 177.1812 31 F 4.9080 8.1880 116.4078 55.4969 42.0517 174.4870 32 I 4.3049 8.1434 118.5674 59.7808 39.9472 174.0935 33 T 4.6434 7.7665 112.9776 59.5441 71.6186 174.0455 34 K 3.9898 8.5742 121.6635 60.0908 31.8175 178.3541 35 D 4.3211 8.0684 117.9533 56.7537 41.1392 177.6828 36 K 3.7872 7.8932 119.1156 59.7682 32.2698 178.6469 37 R 3.7528 8.4116 119.0201 59.7209 29.6072 178.6629 38 R 3.9342 7.5825 116.5094 58.9522 30.2612 178.8909 39 K 4.1026 7.9165 118.2765 59.6785 32.1181 179.3095 40 I 3.6429 7.9283 120.2285 64.6466 37.1382 178.4277 41 S 4.4185 8.2511 114.4619 60.3477 61.9175 175.7131 42 A 4.1658 8.0356 122.5996 53.8867 18.4621 178.7717 43 A 4.2487 7.6825 119.3083 55.0203 19.2456 179.3080 44 T 3.8189 8.2608 106.5895 62.2532 69.0852 174.9579 45 S 4.2146 7.1420 115.8283 59.0724 60.5632 171.5514 46 L 4.6148 7.2601 119.3041 53.5226 43.5359 176.0461 47 S 4.5396 8.1850 115.4355 57.8741 64.7301 175.3456 48 E 3.9622 8.8153 124.1250 59.6648 29.0561 180.0387 49 R 3.9633 7.8911 118.0894 59.3766 30.4342 177.9922 50 Q 4.1506 8.1861 117.3768 59.3866 28.8089 178.9987 51 I 3.7226 7.8928 120.3850 64.7646 37.0484 178.5867 52 T 3.9094 7.6261 115.1040 66.9097 68.3865 176.5106 53 I 3.7406 8.1432 121.9321 64.3775 37.2093 178.3254 54 W 3.9650 8.3368 128.8446 60.5539 30.0605 178.1859 55 F 3.7447 8.8034 117.7666 60.3172 38.2612 177.8543 56 Q 3.9302 8.4569 118.0607 59.1889 28.7739 178.3401 57 N 4.3653 7.9956 117.3123 56.2018 38.2093 177.4874 58 R 3.2777 6.9137 119.2608 58.8807 30.1261 178.5750 59 R 4.0655 7.1752 116.7089 59.2613 30.3693 178.9474 60 V 3.5774 8.0873 118.2858 65.9880 31.0838 177.6508 61 K 3.9859 7.6336 118.6122 58.3483 31.8504 176.7589 62 E 4.7064 8.1496 116.0939 55.9287 30.0396 176.5898 63 K 4.3607 8.3987 120.0712 58.5335 34.2510 177.2740 64 K 4.2371 7.6783 115.9916 55.1818 33.0458 177.0341 65 S 4.3150 8.4332 115.1581 59.4313 61.1472 173.2569 66 G 4.9758 7.8891 127.0700 45.3748 0.0000 168.3830 67 P 4.3426 0.0000 0.0000 65.3859 32.6266 178.3587 68 S 4.7925 7.8200 113.1242 57.6492 63.1439 174.2608 69 S 4.6809 7.5011 113.8772 56.4228 65.2825 174.7565 70 G 3.7478 8.5305 112.9292 46.3795 0.0000 172.6679 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.31 0.00 3.89 3.85 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 3 S 7.60 4.61 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.72 0.00 3.81 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 6 S 8.97 4.18 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.77 4.61 0.00 1.86 1.92 0.00 3.12 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 9 K 7.86 4.53 0.00 1.82 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.41 7.81 10 K 8.58 3.80 0.00 1.90 1.90 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.43 7.81 11 R 7.85 4.21 0.00 1.80 1.92 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 12 I 8.26 3.71 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 1.07 0.00 0.00 13 P 0.00 4.28 0.00 1.30 1.80 0.00 3.99 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 14 Y 7.98 3.68 0.00 3.14 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 15 S 9.31 4.48 0.00 3.82 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 16 K 8.67 4.00 0.00 1.97 2.09 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 G 7.96 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.11 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 19 L 8.09 3.50 0.00 1.58 1.53 1.06 0.52 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 20 R 7.73 3.90 0.00 2.05 2.07 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 21 E 7.90 4.11 0.00 1.90 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 2.28 2.46 0.00 22 L 7.36 3.99 0.00 0.67 0.34 -0.31 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.26 4.19 0.00 2.03 2.11 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 2.62 2.50 0.00 24 R 7.60 3.95 0.00 2.15 2.01 0.00 3.14 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 25 E 8.40 4.10 0.00 2.64 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 0.00 2.41 2.45 0.00 26 Y 8.68 4.58 0.00 2.38 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 27 A 8.15 3.89 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 28 A 7.58 4.22 1.35 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 0.00 0.00 29 N 7.75 4.71 0.00 3.14 2.95 0.00 0.00 7.15 6.82 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 30 K 8.88 3.82 0.00 1.88 1.68 0.00 1.49 0.00 0.00 0.73 0.00 0.00 2.71 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.42 7.81 31 F 8.19 4.91 0.00 2.98 2.98 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 32 I 8.14 4.30 1.73 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.43 0.50 0.00 0.00 33 T 7.77 4.64 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 1.24 0.00 0.00 34 K 8.57 3.99 0.00 1.87 1.86 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.57 7.81 35 D 8.07 4.32 0.00 2.78 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 36 K 7.89 3.79 0.00 1.89 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 37 R 8.41 3.75 0.00 1.80 1.94 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 38 R 7.58 3.93 0.00 2.12 1.96 0.00 3.21 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 39 K 7.92 4.10 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.62 7.81 40 I 7.93 3.64 1.82 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 1.41 0.75 0.87 0.00 0.00 41 S 8.25 4.42 0.00 3.89 4.10 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 42 A 8.04 4.17 1.30 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 0.00 0.00 43 A 7.68 4.25 1.30 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 0.00 0.00 44 T 8.26 3.82 4.20 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 1.17 0.00 0.00 45 S 7.14 4.21 0.00 3.96 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 46 L 7.26 4.61 0.00 1.76 1.66 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.19 4.54 0.00 3.91 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 48 E 8.82 3.96 0.00 2.01 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 2.40 2.39 0.00 49 R 7.89 3.96 0.00 1.95 1.95 0.00 3.29 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 50 Q 8.19 4.15 0.00 2.41 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 51 I 7.89 3.72 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 0.87 0.00 0.00 52 T 7.63 3.91 4.45 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 1.28 0.00 0.00 53 I 8.14 3.74 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 1.00 0.00 0.00 54 W 8.34 3.97 0.00 3.17 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 55 F 8.80 3.74 0.00 3.32 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 56 Q 8.46 3.93 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.09 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 57 N 8.00 4.37 0.00 2.59 2.63 0.00 0.00 6.80 7.07 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 58 R 6.91 3.28 0.00 0.67 0.79 0.00 2.56 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 59 R 7.18 4.07 0.00 1.89 1.96 0.00 3.43 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.44 0.00 60 V 8.09 3.58 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 0.91 0.00 0.00 0.94 0.00 0.00 61 K 7.63 3.99 0.00 1.86 1.89 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 62 E 8.15 4.71 0.00 2.06 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 2.23 2.34 0.00 63 K 8.40 4.36 0.00 1.82 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.54 7.81 64 K 7.68 4.24 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.36 7.81 65 S 8.43 4.31 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 4.98 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 67 P 0.00 4.34 0.00 2.18 2.18 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 68 S 7.82 4.79 0.00 3.83 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 69 S 7.50 4.68 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.53 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