NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4734 8.3349 115.4129 58.1889 65.2328 175.1387 5 E 3.9744 8.3957 119.7926 57.3065 30.2515 173.4788 6 V 3.5368 8.5353 119.1728 66.0868 32.0052 177.4758 7 R 3.8895 8.1753 117.4249 59.5782 29.8683 178.2829 8 K 3.9305 8.0946 118.3896 59.3704 32.2858 178.0343 9 Q 3.9000 7.9369 119.3196 59.9336 28.9538 178.8239 10 L 3.9823 8.4421 120.0262 57.9674 41.4184 179.0272 11 E 4.0920 8.0778 120.6060 59.2065 29.6978 178.7357 12 E 4.0159 8.5721 119.0276 59.1601 29.8487 178.2674 13 A 4.0906 8.4002 119.9239 54.3053 19.0150 178.3958 14 R 3.6963 7.9451 115.2720 57.8478 30.5694 175.8859 15 K 3.5530 9.2489 120.7406 59.7836 29.0160 171.7816 16 L 3.8444 7.4711 123.8286 53.0877 41.3177 172.2201 17 S 4.5886 7.2986 117.2016 55.7359 65.5839 174.6562 18 P 4.7698 0.0000 0.0000 63.1671 32.4334 177.0254 19 V 3.6509 7.7662 118.1466 66.2326 31.2864 177.5003 20 E 4.0413 8.1046 117.8343 59.0638 29.3619 178.6362 21 L 3.9137 7.8840 118.7061 57.7770 41.8907 178.7612 22 E 3.8623 8.5898 119.3833 59.5153 29.5697 179.3152 23 K 3.9084 7.9076 118.0025 59.5209 32.1755 178.9433 24 L 4.0393 8.3067 119.4210 58.0605 41.6145 179.7498 25 V 3.5494 8.1002 118.1251 66.3625 31.3591 177.9873 26 R 3.9266 7.8164 117.0974 59.6186 29.8034 178.9046 27 E 3.9602 7.9463 117.6797 59.2145 29.3695 179.6121 28 K 3.9672 8.0623 118.5092 59.4061 32.1753 179.2913 29 K 3.8070 8.5759 119.1274 59.6532 31.9941 179.2739 30 R 3.7689 8.2287 118.8439 59.4338 29.8600 178.0500 31 E 4.0431 8.4690 117.7241 59.6231 29.7954 178.6485 32 L 4.0153 8.6169 120.7376 58.7231 41.9483 178.4362 33 M 4.0305 7.9854 117.5312 59.1291 32.0254 178.2249 34 E 3.7340 8.0926 118.0112 58.9556 29.4136 179.5010 35 L 4.0671 8.2461 119.8027 57.6685 41.8375 179.1916 36 R 3.9686 8.1300 117.5158 59.4773 29.9737 178.8283 37 F 3.9703 8.9443 117.5848 60.7676 38.7440 177.8052 38 Q 4.0226 7.8117 116.0685 59.0024 28.8666 178.5222 39 A 4.1563 8.8420 121.6395 54.3939 18.2914 179.6796 40 S 4.0596 8.1131 112.7162 61.1836 62.3303 175.4326 41 I 4.1904 7.8308 112.4642 60.9309 37.4816 176.6686 42 G 4.4641 8.2392 108.2019 46.0083 0.0000 173.5458 43 Q 4.1329 7.8316 120.4016 55.3834 30.2720 178.7106 44 L 4.4724 12.0000 114.0934 53.3214 43.7619 175.1543 45 S 4.5393 7.9003 110.6158 57.3918 65.0452 173.8287 46 Q 4.4885 7.7678 124.5964 54.8919 30.6981 177.0251 47 N 3.8913 8.5369 116.7416 51.9403 41.7211 178.0333 48 H 3.8836 8.6082 121.3497 58.5214 30.9970 176.2137 49 K 3.6482 8.3955 121.4979 59.1209 31.6164 178.9566 50 I 3.7229 7.6253 113.0202 64.0204 37.7425 178.3545 51 R 3.9212 7.8800 118.4920 58.3860 29.3455 177.9610 52 D 4.3670 8.2550 119.7565 57.3921 40.7947 178.9339 53 L 3.9815 7.6761 120.0034 57.8804 42.1100 179.0271 54 K 3.9399 8.3037 118.8661 59.7388 32.1233 179.5638 55 R 4.0800 8.8113 118.2709 58.5105 29.9285 178.9210 56 Q 3.9688 7.8001 119.7157 59.2010 29.0080 178.0522 57 I 3.7418 8.0974 120.9223 64.1007 37.0276 178.3758 58 A 3.9559 7.9925 121.7443 55.1868 18.3663 179.6245 59 R 3.8808 8.0255 116.6232 59.6021 30.1407 179.3141 60 L 3.9893 7.9228 118.3948 57.8591 41.5785 179.5608 61 L 4.0590 8.1960 119.4120 57.8963 41.4235 179.7487 62 T 3.8557 8.3588 110.2793 64.9191 68.6742 176.8972 63 V 3.3065 7.7613 121.0195 65.3480 31.3929 177.7620 64 L 3.9536 8.2981 120.8478 57.8435 41.3496 178.4745 65 N 4.2415 8.3784 117.3969 56.8203 39.1428 176.3305 66 E 4.1983 8.8458 121.4815 59.2332 29.3218 178.9002 67 K 4.0125 8.0891 119.2077 59.6480 32.4394 178.8999 68 R 4.0687 8.0727 117.3724 59.4915 30.0130 177.9406 69 R 3.6351 9.0937 116.5868 58.5878 30.2674 179.3873 70 Q 4.2831 8.2881 115.4658 57.0539 28.6532 176.7679 71 N 4.6627 8.9221 109.4521 55.4014 41.1084 172.9595 72 A 4.1914 7.0505 123.9762 51.1683 18.6308 176.6133 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 4 S 8.33 4.47 0.00 3.99 3.86 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 5 E 8.40 3.97 0.00 2.16 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 2.40 2.49 0.00 6 V 8.54 3.54 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 1.07 0.00 0.00 0.93 0.00 0.00 7 R 8.18 3.89 0.00 2.04 2.01 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 8 K 8.09 3.93 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 9 Q 7.94 3.90 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 10 L 8.44 3.98 0.00 1.86 1.64 0.92 0.76 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 11 E 8.08 4.09 0.00 1.89 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 2.32 2.37 0.00 12 E 8.57 4.02 0.00 2.10 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 0.00 2.32 2.37 0.00 13 A 8.40 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.70 0.00 2.06 1.90 0.00 3.52 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 15 K 9.25 3.55 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 L 7.47 3.84 0.00 1.67 1.91 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.30 4.59 0.00 3.95 3.77 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 0.00 0.00 0.00 18 P 0.00 4.77 0.00 2.25 2.30 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 19 V 7.77 3.65 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 1.06 0.00 0.00 0.93 0.00 0.00 20 E 8.10 4.04 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 2.39 2.39 0.00 21 L 7.88 3.91 0.00 1.89 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.59 3.86 0.00 2.23 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 2.32 2.44 0.00 23 K 7.91 3.91 0.00 2.05 2.00 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 L 8.31 4.04 0.00 1.93 1.74 0.92 0.89 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 25 V 8.10 3.55 2.26 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 1.03 0.00 0.00 0.98 0.00 0.00 26 R 7.82 3.93 0.00 2.10 1.98 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 27 E 7.95 3.96 0.00 2.19 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 2.31 2.33 0.00 28 K 8.06 3.97 0.00 1.91 1.84 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.62 7.81 29 K 8.58 3.81 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.61 7.81 30 R 8.23 3.77 0.00 1.93 2.08 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 31 E 8.47 4.04 0.00 2.11 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 2.49 0.00 32 L 8.62 4.02 0.00 1.99 1.73 0.93 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.99 4.03 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 1.95 0.00 34 E 8.09 3.73 0.00 2.20 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 2.11 2.33 0.00 35 L 8.25 4.07 0.00 1.87 1.72 0.91 0.82 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 36 R 8.13 3.97 0.00 2.28 2.10 0.00 3.18 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 1.78 1.95 0.00 37 F 8.94 3.97 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.81 4.02 0.00 2.20 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 39 A 8.84 4.16 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 40 S 8.11 4.06 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.83 4.19 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.96 0.00 0.00 42 G 8.24 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 43 Q 7.83 4.13 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.41 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 L 12.00 4.47 0.00 1.76 1.62 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.90 4.54 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 4.49 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.24 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 47 N 8.54 3.89 0.00 2.87 1.97 0.00 0.00 6.90 8.16 0.00 0.00 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 H 8.61 3.88 0.00 3.37 3.77 0.00 5.49 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.40 3.65 0.00 1.74 1.87 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.23 7.81 50 I 7.63 3.72 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.18 0.92 0.00 0.00 51 R 7.88 3.92 0.00 2.07 2.24 0.00 3.01 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 52 D 8.25 4.37 0.00 2.99 2.79 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 53 L 7.68 3.98 0.00 1.97 1.65 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.30 3.94 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.69 7.81 55 R 8.81 4.08 0.00 1.82 1.98 0.00 3.13 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 56 Q 7.80 3.97 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 57 I 8.10 3.74 2.04 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 1.45 0.77 0.91 0.00 0.00 58 A 7.99 3.96 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 59 R 8.03 3.88 0.00 2.14 2.01 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 60 L 7.92 3.99 0.00 1.84 1.71 0.92 0.73 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 61 L 8.20 4.06 0.00 1.90 1.72 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.36 3.86 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 1.26 0.00 0.00 63 V 7.76 3.31 2.22 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 1.06 0.00 0.00 0.93 0.00 0.00 64 L 8.30 3.95 0.00 1.89 1.81 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.38 4.24 0.00 3.08 2.82 0.00 0.00 6.81 7.85 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 66 E 8.85 4.20 0.00 2.22 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 2.31 2.33 0.00 67 K 8.09 4.01 0.00 2.03 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.52 7.81 68 R 8.07 4.07 0.00 1.94 1.97 0.00 3.26 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 69 R 9.09 3.64 0.00 1.91 2.05 0.00 3.33 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 70 Q 8.29 4.28 0.00 2.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 71 N 8.92 4.66 0.00 2.63 2.71 0.00 0.00 6.87 7.96 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 72 A 7.05 4.19 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