NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3896 8.3049 118.1794 54.6955 33.3788 175.7463 2 I 3.8440 7.8576 120.4123 60.0410 37.7235 174.0494 3 S 4.5535 7.8522 115.1554 58.7076 65.2427 176.5663 4 N 4.6362 7.6633 121.2372 52.9525 38.6603 175.1859 5 A 4.0884 8.6478 118.0181 54.6960 18.2680 179.6161 6 K 3.8423 7.7577 118.7961 59.4670 32.4098 178.7033 7 I 3.5374 7.6323 119.1976 64.3193 37.0567 178.0656 8 A 3.9485 7.8869 120.8550 55.1226 18.2605 179.3972 9 R 3.7874 8.1860 117.3484 59.6393 30.2012 178.4149 10 I 3.6638 8.0142 120.1773 64.6227 37.1137 178.0098 11 N 4.3693 8.1657 117.4646 56.1379 36.9054 176.7520 12 E 3.9123 8.3231 120.8667 59.0487 29.6329 178.9705 13 L 3.8994 8.4433 120.1649 58.1504 42.1378 178.7144 14 A 4.2670 8.6966 122.0416 54.7638 18.2922 179.4621 15 A 3.9320 8.3686 119.2142 55.3761 18.4041 179.6769 16 K 3.9485 8.4621 117.1770 59.6223 32.3110 179.3755 17 A 4.0565 8.7219 121.3506 54.8716 18.0428 179.6690 18 K 3.8630 8.0067 117.7990 59.6407 32.5840 178.4861 19 A 4.3443 8.5224 118.4164 53.8320 18.4023 178.2504 20 G 3.8079 7.9094 103.6057 45.0497 0.0000 174.1442 21 V 4.4569 8.1278 113.2362 59.9991 40.3000 171.5254 22 I 3.3813 7.9610 126.4290 60.7893 39.1304 172.8868 23 T 4.7310 7.6185 117.5820 58.9752 72.9664 174.4137 24 E 3.8335 8.8289 122.9598 59.8080 29.5720 179.1716 25 E 3.9482 8.1239 117.6374 59.5117 29.7274 179.0163 26 E 3.9200 8.0330 118.1314 59.4496 29.7180 179.1683 27 K 3.8311 8.8122 119.9674 59.6636 31.6082 178.4542 28 A 4.0118 8.3911 121.1846 55.2012 18.4225 179.1977 29 E 3.9231 7.9424 116.4923 59.9256 29.4963 179.5037 30 Q 4.0407 8.0730 117.6197 59.2071 28.6955 179.0167 31 Q 3.9834 7.8828 120.3027 59.1817 29.1166 178.5334 32 K 3.9438 7.8439 118.7993 60.0306 32.5188 178.7328 33 L 3.9690 7.8108 119.6111 57.8618 41.5486 179.8298 34 R 4.0419 8.4468 118.0796 59.3396 30.0493 178.9552 35 Q 3.9636 8.8293 119.7979 59.0164 29.1232 178.0181 36 E 3.8747 8.7137 120.6382 59.4798 29.3509 177.9075 37 Y 4.2466 8.0576 119.5320 61.0262 38.6037 178.2340 38 L 3.9859 8.0532 118.5576 57.6839 41.7662 178.6812 39 K 4.0449 7.9582 119.2790 58.5433 32.3858 177.6292 40 G 3.7213 7.4800 106.0435 46.1903 0.0000 177.3346 41 F 2.6180 9.0207 116.5806 57.9571 41.6744 175.5433 42 R 3.8428 9.1653 118.5857 56.1102 29.5620 176.5710 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 4.39 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 2 I 7.86 3.84 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.30 0.93 0.00 0.00 3 S 7.85 4.55 0.00 3.87 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 4 N 7.66 4.64 0.00 2.88 2.99 0.00 0.00 6.02 6.98 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 5 A 8.65 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.84 0.00 1.76 1.75 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 7 I 7.63 3.54 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.28 0.83 0.00 0.00 8 A 7.89 3.95 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 9 R 8.19 3.79 0.00 1.98 2.08 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 10 I 8.01 3.66 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.46 0.90 0.00 0.00 11 N 8.17 4.37 0.00 2.99 3.20 0.00 0.00 7.18 6.96 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 12 E 8.32 3.91 0.00 2.24 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 2.45 2.45 0.00 13 L 8.44 3.90 0.00 1.77 1.66 0.92 1.07 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 14 A 8.70 4.27 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 3.93 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 16 K 8.46 3.95 0.00 2.11 1.83 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 17 A 8.72 4.06 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 18 K 8.01 3.86 0.00 1.81 1.94 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 19 A 8.52 4.34 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 20 G 7.91 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 21 V 8.13 4.46 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 0.55 0.00 0.00 0.93 0.00 0.00 22 I 7.96 3.38 1.91 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 1.55 0.90 0.91 0.00 0.00 23 T 7.62 4.73 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 1.25 0.00 0.00 24 E 8.83 3.83 0.00 2.05 2.01 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 2.39 2.43 0.00 25 E 8.12 3.95 0.00 2.02 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 2.40 2.35 0.00 26 E 8.03 3.92 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 2.33 2.32 0.00 27 K 8.81 3.83 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 28 A 8.39 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.92 0.00 2.28 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 2.33 2.41 0.00 30 Q 8.07 4.04 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 31 Q 7.88 3.98 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 32 K 7.84 3.94 0.00 2.06 2.07 0.00 1.39 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.51 7.81 33 L 7.81 3.97 0.00 1.94 1.78 0.93 0.72 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 34 R 8.45 4.04 0.00 1.94 2.04 0.00 3.38 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 1.68 1.81 0.00 35 Q 8.83 3.96 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 36 E 8.71 3.87 0.00 2.11 2.18 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 2.38 2.35 0.00 37 Y 8.06 4.25 0.00 3.16 3.22 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 0.00 0.00 0.00 0.00 38 L 8.05 3.99 0.00 1.92 1.67 0.73 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.96 4.04 0.00 1.90 1.93 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.38 7.81 40 G 7.48 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 41 F 9.02 2.62 0.00 2.90 2.86 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 42 R 9.17 3.84 0.00 1.83 1.58 0.00 3.19 0.00 0.00 3.52 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00