NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4406 8.3044 118.1943 54.8458 32.6840 175.2200 2 V 3.4194 8.5514 120.5036 65.1901 31.6933 174.8289 3 I 4.2610 7.9536 123.7826 59.3927 39.4198 174.8551 4 A 4.5324 8.6828 128.9166 50.8248 20.3626 178.0702 5 T 3.8746 8.5418 115.9197 67.1843 68.4390 176.4484 6 D 4.7748 7.9333 116.7497 55.3416 40.8885 176.5254 7 D 4.6688 7.9617 118.5434 54.9114 41.8603 177.0153 8 L 4.6992 8.1590 119.5252 55.6207 43.4934 176.4014 9 E 5.3503 7.9419 114.8074 54.9100 33.3452 174.5265 10 T 4.7399 8.6814 110.6132 59.6768 72.7477 173.2027 11 T 4.2735 8.5904 119.0332 64.2351 69.2876 173.5775 12 C 4.3092 9.0546 127.7137 59.0150 31.9590 172.8129 13 P 4.3882 0.0000 0.0000 65.0535 31.6585 177.2912 14 N 4.4359 8.2920 117.5681 56.2135 39.1139 175.2447 15 C 4.4744 7.9658 110.2940 57.1860 30.6749 173.3125 16 N 4.1506 9.0776 117.0090 54.5074 35.0992 175.2726 17 G 4.0671 8.3380 108.0198 45.3985 0.0000 176.6622 18 S 4.1399 7.4552 114.0892 59.5491 63.2211 175.8253 19 G 3.9080 7.9314 105.1116 45.4303 0.0000 172.5753 20 R 4.9821 7.7619 117.2014 54.6972 34.4880 175.8905 21 E 4.7781 9.3342 117.4594 56.1671 30.8896 173.7063 22 E 4.0636 7.5936 119.3156 55.1952 30.9059 175.5975 23 P 4.7331 0.0000 0.0000 62.9638 31.9862 175.2425 24 E 4.7531 7.6881 117.9167 54.1050 32.3729 173.7176 25 P 4.6126 0.0000 0.0000 62.2282 32.3508 175.9444 26 C 4.0826 8.5170 121.0116 59.4575 31.7719 172.8662 27 P 4.3785 0.0000 0.0000 64.8530 31.3778 177.5699 28 K 4.1427 8.0567 118.8852 58.2104 32.5710 176.7730 29 C 4.7427 7.7780 110.3684 56.7067 30.3694 173.7293 30 L 3.6534 8.8151 118.7614 56.2245 39.1891 175.6342 31 G 4.4561 8.4690 104.0410 45.8693 0.0000 175.5135 32 K 4.0102 7.9634 120.2256 57.2922 32.3540 178.5192 33 G 4.0294 9.1378 106.1097 44.9262 0.0000 172.6226 34 V 5.1408 7.1818 110.9479 59.5878 36.1279 174.1782 35 I 4.6253 8.7652 115.8621 59.0828 41.2049 173.9888 36 L 5.0469 8.2934 122.2033 53.8707 42.8686 177.2329 37 T 4.2963 8.5854 113.4405 60.8516 70.5090 175.5892 38 A 3.9819 8.7054 123.5408 55.4674 18.3763 179.7022 39 Q 4.0065 8.1043 117.6281 59.2117 29.1433 178.6320 40 G 3.5732 8.0058 106.3691 47.9185 0.0000 175.7147 41 S 4.1380 8.4859 116.2013 61.2200 62.1661 176.5065 42 T 3.9655 7.9233 118.6035 66.4097 68.2508 176.9559 43 L 4.0775 7.8588 120.6572 57.6998 41.6959 179.2439 44 L 3.9800 8.1494 120.4018 58.5821 41.9345 178.5014 45 H 4.1309 8.3010 118.0778 59.0454 29.6284 177.1102 46 F 4.2817 8.0870 122.7049 61.3515 39.3181 177.1047 47 I 3.3742 7.9862 119.3759 64.3352 36.9525 178.2601 48 K 3.7756 8.0961 119.1491 59.7141 31.7103 179.2202 49 K 3.7214 7.3954 118.5233 59.5373 32.1814 178.0668 50 H 4.3344 7.5102 114.4252 57.3272 29.1661 176.8597 51 I 4.0366 7.7644 120.7367 61.1502 37.2684 178.1735 52 H 4.2477 8.4232 116.9717 56.1190 28.6177 174.6784 53 E 4.2631 8.5925 122.7296 56.3939 30.0189 175.4096 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 4.44 0.00 2.14 2.14 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 2.46 2.54 0.00 2 V 8.55 3.42 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.95 4.26 1.87 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 1.34 0.77 0.91 0.00 0.00 4 A 8.68 4.53 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.87 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 6 D 7.93 4.77 0.00 2.67 2.72 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 7 D 7.96 4.67 0.00 2.88 2.71 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 8 L 8.16 4.70 0.00 1.72 1.69 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.94 5.35 0.00 2.10 1.99 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 2.43 2.30 0.00 10 T 8.68 4.74 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 11 T 8.59 4.27 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 12 C 9.05 4.31 0.00 2.99 2.88 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 13 P 0.00 4.39 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 N 8.29 4.44 0.00 2.69 2.87 0.00 0.00 6.91 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 15 C 7.97 4.47 0.00 3.19 3.21 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 0.00 16 N 9.08 4.15 0.00 2.92 2.94 0.00 0.00 7.22 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 17 G 8.34 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.46 4.14 0.00 3.95 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 19 G 7.93 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 0.00 0.00 0.00 20 R 7.76 4.98 0.00 1.77 1.82 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 21 E 9.33 4.78 0.00 1.91 1.77 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 2.21 2.27 0.00 22 E 7.59 4.06 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 23 P 0.00 4.73 0.00 2.17 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 24 E 7.69 4.75 0.00 2.02 1.86 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 2.21 2.34 0.00 25 P 0.00 4.61 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 26 C 8.52 4.08 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 28 K 8.06 4.14 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 7.78 4.74 0.00 3.26 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 30 L 8.82 3.65 0.00 1.83 1.78 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.47 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 0.00 0.00 0.00 0.00 32 K 7.96 4.01 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 33 G 9.14 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.18 5.14 2.14 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 0.78 0.00 0.00 0.99 0.00 0.00 35 I 8.77 4.63 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.91 0.00 0.00 36 L 8.29 5.05 0.00 1.56 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.59 4.30 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 38 A 8.71 3.98 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 39 Q 8.10 4.01 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.14 0.00 3.89 4.03 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 0.00 0.00 0.00 42 T 7.92 3.97 4.38 0.00 0.00 0.00 0.00 0.00 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 43 L 7.86 4.08 0.00 1.77 1.78 0.93 0.36 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 44 L 8.15 3.98 0.00 1.89 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.30 4.13 0.00 3.38 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.09 4.28 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.99 3.37 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.03 0.88 0.00 0.00 48 K 8.10 3.78 0.00 1.81 1.81 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 K 7.40 3.72 0.00 1.53 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.08 1.27 7.81 50 H 7.51 4.33 0.00 2.74 3.15 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.76 4.04 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 1.47 0.87 0.89 0.00 0.00 52 H 8.42 4.25 0.00 3.23 3.44 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.59 4.26 0.00 1.85 1.78 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 2.23 2.35 0.00