NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 A 4.3193 8.1114 123.5821 51.9321 21.0484 178.5325 547 G 3.5637 7.8676 102.1286 46.4769 0.0000 174.4729 548 I 3.8140 8.4076 123.1113 64.4514 37.7641 177.0622 549 V 3.8379 7.6988 112.8323 64.2678 31.2782 178.1952 550 Q 3.9637 7.8701 119.5982 59.3171 28.8943 178.2607 551 Q 4.0048 8.0198 119.9995 59.0859 28.9772 178.1090 552 Q 4.0742 7.9709 119.4242 58.8687 28.7002 178.4099 553 Q 3.9552 8.1227 120.7034 59.1666 29.0841 178.2479 554 Q 4.0305 7.8436 119.2953 58.5940 28.8058 178.2312 555 L 3.9614 8.3972 121.9756 58.0775 42.0359 178.8009 556 L 4.0647 8.2217 120.2846 57.8214 41.6826 178.6802 557 D 4.3689 8.0523 119.6213 57.1878 40.7779 178.9913 558 V 3.6575 7.9085 119.8051 64.7464 31.2600 178.6837 559 V 3.6226 7.8222 118.7284 65.2236 31.3851 178.0706 560 K 3.9683 7.8320 119.8741 59.5927 32.1159 179.1371 561 R 3.9730 7.7351 118.1531 59.1511 29.8557 178.8109 562 Q 4.0109 8.2881 119.5339 58.9265 28.9552 178.1788 563 Q 3.9328 7.7348 120.6137 59.1353 29.1768 177.7285 564 E 3.9548 8.0343 119.3269 59.5457 29.5086 179.2572 565 L 4.0035 8.0299 120.2435 57.7972 42.1043 178.7702 566 L 3.9829 8.1993 120.8687 58.1414 42.0439 179.0972 567 R 3.9791 8.6308 118.3588 59.3896 30.1447 179.0533 568 L 4.0729 7.9478 118.6265 58.1350 41.5902 179.7149 569 T 4.1053 7.9153 115.3180 66.3536 68.3648 177.1800 570 V 3.7208 8.0051 120.3707 65.2549 31.5080 178.0418 571 W 4.1271 8.4347 128.7223 60.2369 30.6120 178.1739 572 G 3.6494 8.3946 105.3808 48.3150 0.0000 175.7071 573 T 3.9183 7.9888 118.5717 66.1135 68.3979 176.9760 574 K 3.8559 8.0563 120.5063 59.2863 31.8135 178.8903 575 N 3.8950 8.0272 117.5185 56.6424 38.6924 176.9314 576 L 3.9056 8.2024 120.6360 57.6544 41.6447 179.2180 577 Q 3.9117 7.9771 119.5982 59.4884 28.7385 178.4804 578 T 3.8061 7.6670 115.6601 66.6042 68.5199 176.6205 579 R 4.0249 7.3454 118.4749 59.3405 30.3770 178.8717 580 V 3.6958 7.8267 116.8534 66.1933 31.5108 176.3816 581 T 4.1841 7.6943 119.0833 63.7565 68.4552 174.0895 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 546 A 8.11 4.32 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 0.00 547 G 7.87 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 I 8.41 3.81 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 1.64 1.01 0.91 0.00 0.00 549 V 7.70 3.84 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 0.88 0.00 0.00 0.94 0.00 0.00 550 Q 7.87 3.96 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 551 Q 8.02 4.00 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 552 Q 7.97 4.07 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 553 Q 8.12 3.96 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 554 Q 7.84 4.03 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 555 L 8.40 3.96 0.00 1.97 1.66 0.92 0.49 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 0.00 556 L 8.22 4.06 0.00 1.79 1.76 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 557 D 8.05 4.37 0.00 2.90 2.69 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 0.00 0.00 0.00 0.00 558 V 7.91 3.66 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 0.91 0.00 0.00 0.93 0.00 0.00 559 V 7.82 3.62 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 0.98 0.00 0.00 0.96 0.00 0.00 560 K 7.83 3.97 0.00 2.09 1.78 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 561 R 7.74 3.97 0.00 1.99 1.95 0.00 3.50 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 562 Q 8.29 4.01 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 563 Q 7.73 3.93 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 564 E 8.03 3.95 0.00 2.28 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 2.32 2.32 0.00 565 L 8.03 4.00 0.00 1.77 1.85 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 566 L 8.20 3.98 0.00 2.02 1.84 0.94 1.09 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 0.00 567 R 8.63 3.98 0.00 2.04 2.00 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 568 L 7.95 4.07 0.00 1.92 1.73 0.87 0.56 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 0.00 569 T 7.92 4.11 4.39 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 0.00 0.00 1.25 0.00 0.00 570 V 8.01 3.72 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 1.10 0.00 0.00 1.02 0.00 0.00 571 W 8.43 4.13 0.00 3.55 3.39 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 0.00 0.00 0.00 572 G 8.39 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 T 7.99 3.92 4.37 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 1.19 0.00 0.00 574 K 8.06 3.86 0.00 1.86 1.66 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.49 7.81 575 N 8.03 3.89 0.00 1.45 2.28 0.00 0.00 7.28 6.53 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 0.00 576 L 8.20 3.91 0.00 1.67 1.65 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 577 Q 7.98 3.91 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 578 T 7.67 3.81 4.29 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 1.15 0.00 0.00 579 R 7.35 4.02 0.00 1.84 1.94 0.00 3.10 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 1.62 1.56 0.00 580 V 7.83 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 581 T 7.69 4.18 4.22 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 1.19 0.00 0.00