NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 545 L 4.2870 8.1693 122.4919 54.9397 42.6868 176.3535 546 T 3.9489 8.2891 116.8392 60.3659 69.1533 172.3994 547 A 3.8919 8.2478 125.5878 56.0767 19.8572 180.4886 548 S 4.1668 8.0190 108.0450 61.3057 63.5480 177.0222 549 M 3.6909 7.8518 119.7007 58.5384 32.7559 178.1827 550 L 3.8332 8.3790 120.2078 58.2463 42.0272 178.6465 551 A 4.0607 7.7565 119.5873 54.5342 18.2772 178.3237 552 S 4.2566 8.2527 109.2523 59.3486 63.3952 174.1031 553 A 4.7046 7.8374 124.7658 49.6167 20.8253 175.1392 554 P 4.3878 0.0000 0.0000 62.4409 32.2992 176.5548 555 P 4.1096 0.0000 0.0000 65.6294 31.4962 178.5195 556 Q 3.9924 8.1037 118.1458 58.9949 29.0609 177.6245 557 E 3.9495 8.2033 119.7947 59.4292 29.4710 179.0558 558 Q 4.0155 8.1447 117.5004 59.2235 28.8268 179.2613 559 K 3.9387 7.8147 118.9469 59.5975 32.0052 179.1993 560 Q 4.0080 7.9739 119.6859 59.3434 28.9193 178.2771 561 M 4.0538 8.1894 119.7660 58.2348 32.0217 178.6519 562 L 4.0906 8.1784 119.3302 57.7426 41.8564 179.4067 563 G 3.9359 8.5527 105.9670 48.4225 0.0000 175.1718 564 E 4.1523 8.1422 120.2527 58.6622 29.5340 178.8310 565 R 4.3602 7.3634 116.1120 57.4402 30.9808 177.5818 566 L 4.3158 8.0007 118.6465 56.5681 41.9611 178.4510 567 F 4.1388 8.7786 121.4700 60.9990 39.3306 175.5479 568 P 4.0465 0.0000 0.0000 65.6189 30.6930 178.1864 569 L 3.9222 7.8363 118.2593 57.8983 41.5538 179.4973 570 I 3.8107 7.9720 119.8203 64.0796 36.7654 178.2911 571 Q 3.6822 7.7226 120.0943 58.7001 28.7919 177.6776 572 A 4.0652 7.6981 121.4001 55.2928 18.4499 179.2381 573 M 4.2754 7.4459 115.1283 57.7655 33.1934 177.2698 574 H 4.8515 8.3242 117.0470 54.0301 30.8448 172.0706 575 P 4.3816 0.0000 0.0000 64.8430 32.1538 178.6980 576 T 4.0896 8.0007 116.0588 66.5257 68.9639 175.5897 577 L 4.5363 7.5634 119.7926 52.4270 40.6476 176.4263 578 A 4.0456 8.1317 122.8210 56.3967 18.4751 179.3376 579 G 3.8707 8.4133 103.4172 48.2351 0.0000 175.5777 580 K 3.9639 8.0989 120.9661 59.0005 32.1616 179.4009 581 I 3.6898 7.6765 119.4416 64.6279 36.9882 178.3190 582 T 3.9900 8.1611 116.7582 66.8235 68.1519 176.3188 583 G 3.9838 8.0977 106.1909 48.3962 0.0000 175.1579 584 M 4.2311 8.2083 121.5222 58.1023 32.0300 178.9628 585 L 4.0037 8.3893 119.3782 57.7386 41.5697 179.3184 586 L 4.1869 7.9892 117.4954 56.8046 41.5582 178.7804 587 E 4.1159 8.1408 118.5774 58.1001 29.6690 177.5770 588 I 3.9089 7.2074 119.3807 60.7972 38.0150 175.6250 589 D 4.4949 8.5332 122.3089 54.6812 41.5550 177.3757 590 N 4.2712 9.0842 121.0924 56.7239 38.4499 177.2636 591 S 4.3258 8.0337 110.4038 59.6261 63.7254 175.1323 592 E 4.0962 7.9338 121.8300 58.6164 29.7513 177.7003 593 L 4.0267 7.8377 119.2917 57.4688 41.7654 179.0073 594 L 3.9606 8.1969 120.6277 58.6059 41.9659 178.6691 595 H 4.2745 7.7674 117.7618 59.3714 29.5253 177.1766 596 M 4.0372 7.7921 120.0878 58.0019 31.8084 178.3240 597 L 4.1354 7.8301 118.6894 57.7111 41.8471 179.0347 598 E 4.3108 7.9285 117.2549 58.0001 30.1362 177.8477 599 S 4.5220 7.9232 116.9159 55.4877 62.6492 172.0146 600 P 4.1665 0.0000 0.0000 65.7307 30.2869 177.8632 601 E 3.8938 8.0957 118.8010 59.1954 29.5898 178.6674 602 S 4.2607 7.8291 114.3867 60.8731 63.2724 175.9178 603 L 3.8788 8.0931 124.2446 58.0522 41.6796 178.7540 604 R 3.8897 8.1249 118.7789 59.7251 29.8648 178.6059 605 S 4.2952 7.6819 112.5786 61.2024 63.1019 176.3673 606 K 4.2700 8.2669 123.7800 58.6369 31.7866 179.2868 607 V 3.5702 8.0756 118.6013 66.2948 31.5320 177.8131 608 D 4.3665 8.4516 118.8371 57.4240 40.4530 178.7299 609 E 3.9933 8.5108 119.3325 59.0716 29.4173 179.1859 610 A 3.9594 8.4176 121.3993 55.0351 18.4641 179.4424 611 V 3.4119 7.8705 116.6918 66.4421 31.2926 177.8837 612 A 3.9752 7.6366 118.6032 55.3221 18.2158 179.2900 613 V 3.6730 7.3708 115.2369 66.3372 31.6686 178.0165 614 L 4.1567 7.6788 117.1167 56.9340 41.6009 177.3414 615 Q 4.2535 8.0028 123.6635 56.6799 29.1345 176.1636 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 545 L 8.17 4.29 0.00 1.63 1.68 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.29 3.95 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 0.00 547 A 8.25 3.89 1.28 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 0.00 0.00 0.00 0.00 0.00 548 S 8.02 4.17 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 M 7.85 3.69 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 550 L 8.38 3.83 0.00 1.76 1.69 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 551 A 7.76 4.06 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 0.00 552 S 8.25 4.26 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 A 7.84 4.70 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 0.00 554 P 0.00 4.39 0.00 2.19 1.98 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 555 P 0.00 4.11 0.00 2.16 2.07 0.00 3.59 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 2.11 2.20 0.00 556 Q 8.10 3.99 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 557 E 8.20 3.95 0.00 2.32 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 2.33 2.35 0.00 558 Q 8.14 4.02 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 559 K 7.81 3.94 0.00 1.91 1.87 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.60 7.81 560 Q 7.97 4.01 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 561 M 8.19 4.05 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 562 L 8.18 4.09 0.00 1.84 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 563 G 8.55 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 E 8.14 4.15 0.00 2.24 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 2.36 2.34 0.00 565 R 7.36 4.36 0.00 1.93 2.08 0.00 3.31 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 566 L 8.00 4.32 0.00 1.79 1.72 0.95 0.75 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 0.00 567 F 8.78 4.14 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 P 0.00 4.05 0.00 2.30 2.36 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 569 L 7.84 3.92 0.00 1.92 1.73 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 570 I 7.97 3.81 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.87 0.00 0.00 571 Q 7.72 3.68 0.00 1.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 572 A 7.70 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.45 4.28 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 574 H 8.32 4.85 0.00 3.20 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.38 0.00 2.17 2.14 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 576 T 8.00 4.09 4.28 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 0.00 0.00 1.23 0.00 0.00 577 L 7.56 4.54 0.00 1.83 1.80 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 578 A 8.13 4.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 G 8.41 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 580 K 8.10 3.96 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 581 I 7.68 3.69 1.87 0.00 0.00 0.76 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 0.61 0.90 0.00 0.00 582 T 8.16 3.99 4.53 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 0.00 0.00 0.00 1.35 0.00 0.00 583 G 8.10 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 584 M 8.21 4.23 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 585 L 8.39 4.00 0.00 1.83 1.74 0.93 0.63 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 0.00 586 L 7.99 4.19 0.00 1.79 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 587 E 8.14 4.12 0.00 2.01 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 2.45 2.50 0.00 588 I 7.21 3.91 1.94 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 1.31 0.60 0.92 0.00 0.00 589 D 8.53 4.49 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 N 9.08 4.27 0.00 2.83 2.89 0.00 0.00 6.84 7.57 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 0.00 591 S 8.03 4.33 0.00 4.01 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 0.00 592 E 7.93 4.10 0.00 2.11 2.20 0.00 0.00 0.00 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 2.47 0.00 593 L 7.84 4.03 0.00 1.94 1.71 0.99 0.59 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 0.00 594 L 8.20 3.96 0.00 1.86 1.69 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 595 H 7.77 4.27 0.00 3.07 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 M 7.79 4.04 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 597 L 7.83 4.14 0.00 1.80 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 598 E 7.93 4.31 0.00 2.06 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 2.36 2.36 0.00 599 S 7.92 4.52 0.00 3.75 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 0.00 600 P 0.00 4.17 0.00 2.28 2.30 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 601 E 8.10 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 2.37 2.36 0.00 602 S 7.83 4.26 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 L 8.09 3.88 0.00 1.95 1.86 0.92 1.07 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 0.00 604 R 8.12 3.89 0.00 2.14 2.07 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 605 S 7.68 4.30 0.00 4.14 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 K 8.27 4.27 0.00 1.91 1.91 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.67 1.47 7.81 607 V 8.08 3.57 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 1.13 0.00 0.00 0.96 0.00 0.00 608 D 8.45 4.37 0.00 2.81 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 0.00 609 E 8.51 3.99 0.00 2.19 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 2.33 2.39 0.00 610 A 8.42 3.96 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 0.00 611 V 7.87 3.41 2.21 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 0.96 0.00 0.00 0.76 0.00 0.00 612 A 7.64 3.98 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 0.00 613 V 7.37 3.67 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 614 L 7.68 4.16 0.00 1.78 1.70 0.91 0.94 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 0.00 615 Q 8.00 4.25 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00