NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2658 8.3144 120.1349 55.8186 33.5168 175.0638 3 R 3.8414 8.4152 122.7858 55.0001 30.5582 174.1848 4 P 4.3949 0.0000 0.0000 62.7125 32.9535 175.6157 5 R 4.1776 8.2728 120.1843 55.9114 30.8926 175.9024 6 T 4.4081 8.0597 115.1969 60.0193 70.2375 172.4501 7 A 4.5114 7.9563 125.8051 50.0166 21.1658 176.0019 8 F 4.7404 8.1831 120.9027 56.2753 40.4668 176.8433 9 S 4.4762 8.4841 120.0384 57.9259 65.0696 175.5216 10 S 4.1386 8.5393 117.2145 61.5386 62.5891 176.2061 11 E 3.8914 8.0889 122.5759 59.0531 29.3971 178.5870 12 Q 3.8642 7.9088 117.7428 58.8632 28.8004 178.6680 13 L 3.5455 7.9636 119.7434 57.5603 41.6587 179.3756 14 A 3.9373 8.0982 120.8515 55.1882 18.4035 179.7312 15 R 3.7571 7.8116 117.0992 59.4982 30.0948 178.6500 16 L 3.6510 7.6538 118.9721 57.6363 41.3510 179.7641 17 K 4.2161 7.8121 118.3980 59.3070 31.7499 179.4533 18 R 3.9548 7.7498 118.3946 59.3465 30.2881 178.2512 19 E 4.2004 8.2016 118.2524 59.5131 29.1524 178.9582 20 F 4.4447 8.6188 122.3993 60.7520 39.1397 176.4488 21 N 4.4463 8.4000 115.2780 55.6101 38.7721 176.0450 22 E 4.4312 7.8737 119.1029 57.2553 30.3176 176.3398 23 N 4.7221 7.2406 117.7200 52.7758 41.9827 174.7202 24 R 3.7320 8.4615 123.8702 56.8621 30.5154 175.8427 25 Y 4.8162 8.0636 115.6725 55.9386 41.0885 174.7409 26 L 4.4642 8.3158 123.4336 52.9689 43.5888 177.3896 27 T 4.2038 8.1484 114.4154 60.8119 71.0686 175.1230 28 E 3.8511 8.5340 120.7489 59.4235 29.5561 178.2322 29 R 3.8440 7.9809 118.0903 59.7040 30.0136 178.0133 30 R 3.8357 7.6521 118.3039 59.5075 29.9118 178.4483 31 R 3.7797 8.0531 118.3276 59.3778 30.1211 178.4458 32 Q 3.9749 8.1799 117.8934 59.1184 28.7559 178.9430 33 Q 3.9768 8.3127 119.2317 58.9730 28.8484 178.7061 34 L 3.9809 8.1910 121.6218 58.1680 42.2402 179.1743 35 S 4.1359 8.3422 115.4804 61.5432 62.8854 176.6170 36 S 4.1128 8.1741 115.8810 61.4548 61.9381 176.0927 37 E 4.0527 8.1271 120.2843 59.0475 29.3164 178.5968 38 L 4.3422 7.8403 116.6586 54.2600 42.1199 177.0282 39 G 3.8780 7.6264 105.9148 46.6646 0.0000 173.4252 40 L 4.8274 7.7164 118.2729 51.8994 44.5047 176.4497 41 N 4.4650 8.5756 120.3733 53.5339 39.7690 175.5932 42 E 4.3884 9.3244 125.6465 59.0603 29.5467 179.6024 43 A 4.1040 8.7453 120.8658 55.0347 18.3860 179.7656 44 Q 4.1462 8.1821 117.0031 58.9701 28.9589 178.8480 45 V 3.7126 7.8870 119.0904 66.0456 31.7633 178.1637 46 K 4.2779 8.4519 118.6806 59.8375 32.4484 179.3778 47 G 3.7231 8.3013 107.0752 47.2410 0.0000 175.6378 48 W 4.0594 8.5770 130.7193 60.2800 30.7967 178.0169 49 F 3.8837 8.6995 117.3851 60.4296 38.0787 177.2548 50 K 3.8828 8.2662 119.0406 59.9682 32.0008 178.4532 51 N 4.2303 8.1534 116.3799 56.4237 38.4463 177.1251 52 M 3.3726 7.8180 119.8404 58.3776 32.0077 178.4996 53 R 4.0190 7.9290 118.0079 59.0981 30.0171 178.9582 54 A 3.9722 7.5401 120.3381 54.8457 18.3383 179.4893 55 K 3.7909 7.9232 118.1642 59.8415 32.0023 179.1351 56 I 3.7847 7.6899 121.3683 64.7858 37.1208 178.9940 57 K 4.1603 7.9952 123.5415 58.9226 31.5029 181.3881 58 K 4.3943 7.3364 116.6368 59.4457 32.5504 177.0207 59 S 4.2972 8.0893 118.4549 58.7788 62.7759 174.0374 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 2 K 8.31 4.27 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 R 8.42 3.84 0.00 1.87 1.86 0.00 3.29 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 4 P 0.00 4.39 0.00 2.06 1.96 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 5 R 8.27 4.18 0.00 1.76 1.80 0.00 3.14 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 6 T 8.06 4.41 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 0.75 0.00 0.00 7 A 7.96 4.51 1.14 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 0.00 0.00 8 F 8.18 4.74 0.00 3.04 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 9 S 8.48 4.48 0.00 4.06 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 10 S 8.54 4.14 0.00 4.07 4.18 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 11 E 8.09 3.89 0.00 2.04 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 2.35 2.37 0.00 12 Q 7.91 3.86 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 13 L 7.96 3.55 0.00 1.81 1.68 1.06 0.71 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 14 A 8.10 3.94 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 15 R 7.81 3.76 0.00 1.94 2.00 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 16 L 7.65 3.65 0.00 0.33 0.13 -0.50 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.81 4.22 0.00 2.03 1.92 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.67 7.81 18 R 7.75 3.95 0.00 1.83 2.20 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 19 E 8.20 4.20 0.00 2.48 2.28 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 2.58 2.55 0.00 20 F 8.62 4.44 0.00 3.09 3.24 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 0.00 21 N 8.40 4.45 0.00 2.94 3.05 0.00 0.00 7.20 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 22 E 7.87 4.43 0.00 2.18 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 2.54 2.47 0.00 23 N 7.24 4.72 0.00 2.86 2.69 0.00 0.00 7.28 7.53 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 24 R 8.46 3.73 0.00 1.34 1.31 0.00 2.96 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 25 Y 8.06 4.82 0.00 2.98 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 26 L 8.32 4.46 0.00 1.38 1.38 0.47 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.15 4.20 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 28 E 8.53 3.85 0.00 2.05 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 2.37 2.36 0.00 29 R 7.98 3.84 0.00 1.90 1.91 0.00 3.24 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 30 R 7.65 3.84 0.00 1.84 1.85 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 31 R 8.05 3.78 0.00 1.93 2.01 0.00 3.35 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 32 Q 8.18 3.97 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 33 Q 8.31 3.98 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 34 L 8.19 3.98 0.00 1.87 1.68 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.34 4.14 0.00 3.91 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.11 0.00 3.90 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 37 E 8.13 4.05 0.00 2.03 1.98 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 2.34 2.41 0.00 38 L 7.84 4.34 0.00 1.68 1.68 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.63 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.83 0.00 1.66 1.66 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.58 4.47 0.00 2.75 2.74 0.00 0.00 7.09 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 42 E 9.32 4.39 0.00 2.07 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 2.41 2.27 0.00 43 A 8.75 4.10 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 44 Q 8.18 4.15 0.00 2.43 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 45 V 7.89 3.71 2.27 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 1.14 0.00 0.00 0.96 0.00 0.00 46 K 8.45 4.28 0.00 2.09 2.08 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.53 7.81 47 G 8.30 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 48 W 8.58 4.06 0.00 3.50 3.34 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 49 F 8.70 3.88 0.00 3.37 3.23 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 0.00 50 K 8.27 3.88 0.00 2.00 2.06 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.54 7.81 51 N 8.15 4.23 0.00 2.80 2.66 0.00 0.00 6.76 7.11 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 52 M 7.82 3.37 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.00 53 R 7.93 4.02 0.00 2.05 1.95 0.00 2.75 0.00 0.00 2.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 54 A 7.54 3.97 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 55 K 7.92 3.79 0.00 1.78 1.75 0.00 1.46 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 56 I 7.69 3.78 1.92 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 1.52 1.00 0.96 0.00 0.00 57 K 8.00 4.16 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 58 K 7.34 4.39 0.00 1.84 1.86 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.56 7.81 59 S 8.09 4.30 0.00 3.82 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