NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *502 S 4.5065 8.1933 117.1002 58.1955 65.1843 175.6965 503 R 3.8357 8.0596 120.3302 58.5201 30.0110 177.3381 504 S 4.2203 8.8348 113.3340 61.1549 62.8387 175.8298 505 T 3.9535 7.7277 118.5061 66.6395 68.3315 176.0515 506 H 4.2092 8.3003 120.2047 59.2829 29.8228 176.7514 507 N 4.2210 8.1479 118.2408 56.6300 38.4792 176.9447 508 E 3.9545 8.0254 119.1798 59.9334 29.6196 179.5284 509 M 4.0775 8.0191 118.4627 58.3848 32.0069 178.5179 510 E 3.9392 8.3280 119.4802 59.0882 29.7278 178.9348 511 K 4.0136 8.4974 121.4259 60.2487 32.1518 179.7599 512 N 4.3969 8.3030 119.5989 57.2422 37.5433 179.1481 513 R 4.0866 8.0294 120.6719 59.5336 30.1398 178.9261 514 R 3.9233 8.6429 117.9658 59.0825 30.1379 178.7809 515 A 3.9752 8.3229 120.9670 55.6355 18.4087 179.2067 516 H 4.0804 8.3490 116.6106 59.2239 29.7932 177.2708 517 L 4.0248 7.9117 121.8538 58.1427 41.9465 179.0538 518 R 3.9100 8.2404 118.3794 59.2059 29.8916 179.1092 519 L 3.9636 7.8337 118.4940 57.9246 41.6528 179.6330 520 S 4.0632 7.9652 115.1061 61.3970 62.6746 176.5560 521 L 3.9034 8.1208 123.1280 58.2528 41.8393 178.6899 522 E 3.9005 8.2686 119.2329 59.1384 29.3008 178.6749 523 K 3.9694 8.0686 119.1665 59.2774 32.5697 178.3082 524 L 4.0950 7.9109 120.8917 57.7713 41.8690 178.5780 525 K 3.9640 8.3675 120.0458 59.6729 31.8321 178.9736 526 G 3.6492 7.8182 104.4691 47.0289 0.0000 174.1392 527 L 4.3202 7.4569 118.6598 54.4915 41.9511 176.5385 528 V 4.0669 7.3152 120.7474 60.5091 31.3915 175.4160 529 P 4.5804 0.0000 0.0000 62.6214 30.6050 176.5435 530 L 4.7332 8.7345 118.7019 54.8493 42.1219 175.4603 531 G 3.9321 8.1366 103.0019 45.6721 0.0000 173.6015 532 P 4.8133 0.0000 0.0000 63.8080 31.7596 176.2385 533 D 4.8431 7.7519 118.1884 54.2289 42.2526 175.1125 534 S 4.6613 8.2473 113.3994 56.9657 64.8554 173.4875 535 S 4.6626 8.8809 122.9657 59.0179 63.0580 175.6034 536 R 4.2972 8.0470 122.7344 58.8069 30.2719 180.9438 *537 H 4.0267 8.0602 113.5796 55.3055 28.4736 176.9818 538 T 4.4332 8.1103 116.6038 60.6098 69.8196 176.1650 539 T 3.8465 8.2077 118.5141 66.4439 68.4201 176.4861 540 L 3.9309 7.8836 121.8974 58.2493 42.2256 178.8027 541 S 4.1237 8.0797 113.6148 61.4914 62.6552 176.0455 542 L 3.9073 7.8388 123.6395 57.8199 41.9429 178.8041 543 L 3.9896 8.1183 119.0927 58.1519 41.5342 179.8293 544 T 3.8616 7.9764 115.4147 66.5946 68.4878 176.8850 545 K 3.8948 8.4973 120.5471 59.4122 32.0722 179.0145 546 A 3.9900 8.2920 121.2723 55.1792 18.2784 179.3053 547 K 3.8148 7.8448 117.3437 59.9788 32.2372 178.8693 548 L 4.0043 7.9576 118.9833 58.0512 41.4140 179.2208 549 H 4.2292 8.8352 118.6444 59.1998 29.7364 177.3585 550 I 3.6301 7.9263 121.6750 64.3997 37.0616 178.4577 551 K 3.9030 8.1653 119.2713 59.2836 31.8582 179.3365 552 K 3.9176 8.1828 119.9063 59.4038 32.1734 178.7467 553 L 3.9292 8.0283 119.5144 58.1043 41.6083 179.3878 554 E 3.9543 8.3345 118.4161 59.5056 29.3067 179.1151 555 D 4.3081 7.9484 117.8598 57.4871 41.2503 178.5193 556 S 4.2166 8.2370 115.5577 61.2016 62.7449 176.1954 557 D 4.2951 8.1607 121.2728 57.3798 40.9927 178.5062 558 R 3.9618 8.0171 118.6764 58.8818 30.0163 178.9838 559 K 3.9583 8.1283 119.4844 59.3118 32.1409 178.8082 560 A 3.9649 8.2747 121.3555 55.2718 18.4054 179.7062 561 V 3.5109 7.9223 116.8087 66.5068 31.4963 177.7459 562 H 4.2821 8.3161 118.0386 58.8888 29.7372 176.9908 563 Q 3.7883 8.0706 121.5373 59.2775 28.9695 178.2551 564 I 3.6594 7.8927 120.8728 64.4176 37.0734 177.6665 565 D 4.3519 7.9694 118.5759 57.8260 40.9659 178.6720 566 Q 3.9679 8.0211 118.1050 58.7464 28.5303 178.7307 567 L 4.0647 7.8709 120.1391 57.5680 41.6146 179.4810 568 Q 3.9633 8.1984 118.1790 58.9833 28.4885 178.5960 569 R 4.0092 8.2829 119.8360 59.1189 29.9999 177.9880 570 E 3.9377 7.9124 118.9203 58.7131 29.7873 178.2081 571 Q 3.9771 8.3490 120.1482 59.2771 29.3102 178.4221 572 R 4.0245 8.4969 119.2978 58.9672 29.9892 178.5797 573 H 4.1676 7.6947 118.2384 59.1200 29.7660 176.8713 574 L 3.9213 7.7450 119.5687 57.9750 41.8782 179.4623 575 K 4.1230 8.0650 120.3209 60.3585 31.8242 180.1681 576 R 4.1938 7.7667 121.4120 62.1069 29.2934 180.7368 577 Q 4.3684 7.8751 118.3562 58.6353 28.3090 179.2891 578 L 4.4905 8.0289 123.0115 55.4979 41.9349 176.1723 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 *502 S 8.19 4.51 0.00 3.67 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 0.00 503 R 8.06 3.84 0.00 1.93 2.03 0.00 3.10 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 504 S 8.83 4.22 0.00 3.89 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 0.00 505 T 7.73 3.95 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 1.22 0.00 0.00 506 H 8.30 4.21 0.00 3.29 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 N 8.15 4.22 0.00 2.91 2.85 0.00 0.00 7.06 7.20 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 0.00 508 E 8.03 3.95 0.00 2.17 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 2.48 2.51 0.00 509 M 8.02 4.08 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.56 0.00 510 E 8.33 3.94 0.00 1.98 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 2.25 2.36 0.00 511 K 8.50 4.01 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 512 N 8.30 4.40 0.00 2.74 2.82 0.00 0.00 6.71 6.97 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 0.00 513 R 8.03 4.09 0.00 2.10 2.08 0.00 3.06 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 1.62 1.66 0.00 514 R 8.64 3.92 0.00 2.00 1.96 0.00 3.19 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 1.81 0.00 515 A 8.32 3.98 1.38 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 0.00 0.00 0.00 516 H 8.35 4.08 0.00 3.23 3.44 0.00 5.59 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 0.00 517 L 7.91 4.02 0.00 2.11 1.71 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 518 R 8.24 3.91 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 519 L 7.83 3.96 0.00 1.83 1.65 0.89 0.80 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 0.00 520 S 7.97 4.06 0.00 4.00 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 0.00 521 L 8.12 3.90 0.00 1.89 1.82 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 522 E 8.27 3.90 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 523 K 8.07 3.97 0.00 1.85 1.96 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 524 L 7.91 4.09 0.00 1.82 1.81 0.93 0.36 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 0.00 525 K 8.37 3.96 0.00 1.94 1.98 0.00 1.95 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.46 7.81 526 G 7.82 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 0.00 527 L 7.46 4.32 0.00 1.69 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 528 V 7.32 4.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 529 P 0.00 4.58 0.00 1.97 2.02 0.00 3.00 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 530 L 8.73 4.73 0.00 1.45 1.53 0.91 0.77 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 0.00 531 G 8.14 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 P 0.00 4.81 0.00 2.18 2.24 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 533 D 7.75 4.84 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 S 8.25 4.66 0.00 3.92 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 0.00 535 S 8.88 4.66 0.00 3.87 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 0.00 536 R 8.05 4.30 0.00 1.82 1.82 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 *537 H 8.06 4.03 0.00 2.92 2.92 0.00 7.16 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 T 8.11 4.43 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 0.00 539 T 8.21 3.85 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 0.00 540 L 7.88 3.93 0.00 1.75 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 541 S 8.08 4.12 0.00 4.08 4.12 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 0.00 0.00 0.00 0.00 542 L 7.84 3.91 0.00 1.88 1.96 0.92 0.65 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 0.00 543 L 8.12 3.99 0.00 1.88 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 544 T 7.98 3.86 4.42 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 1.21 0.00 0.00 545 K 8.50 3.89 0.00 1.87 1.86 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.75 7.81 546 A 8.29 3.99 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 0.00 547 K 7.84 3.81 0.00 1.85 1.98 0.00 1.65 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 1.44 1.50 7.81 548 L 7.96 4.00 0.00 1.77 1.72 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 549 H 8.84 4.23 0.00 3.28 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 I 7.93 3.63 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 1.51 0.55 0.90 0.00 0.00 551 K 8.17 3.90 0.00 1.99 1.86 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 552 K 8.18 3.92 0.00 1.95 1.91 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.65 7.81 553 L 8.03 3.93 0.00 1.80 1.65 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 554 E 8.33 3.95 0.00 2.12 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 2.32 2.57 0.00 555 D 7.95 4.31 0.00 2.85 2.84 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 0.00 556 S 8.24 4.22 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 D 8.16 4.30 0.00 2.71 2.81 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 0.00 558 R 8.02 3.96 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 559 K 8.13 3.96 0.00 1.98 1.98 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 560 A 8.27 3.96 1.38 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 0.00 0.00 0.00 561 V 7.92 3.51 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 1.00 0.00 0.00 0.98 0.00 0.00 562 H 8.32 4.28 0.00 3.29 3.53 0.00 5.84 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 0.00 563 Q 8.07 3.79 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 564 I 7.89 3.66 2.01 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 1.40 0.86 0.91 0.00 0.00 565 D 7.97 4.35 0.00 2.75 2.91 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 0.00 566 Q 8.02 3.97 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 567 L 7.87 4.06 0.00 1.86 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 568 Q 8.20 3.96 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 569 R 8.28 4.01 0.00 1.99 2.07 0.00 3.07 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 570 E 7.91 3.94 0.00 2.11 2.15 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 2.30 2.32 0.00 571 Q 8.35 3.98 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 572 R 8.50 4.02 0.00 1.87 1.98 0.00 3.18 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 573 H 7.69 4.17 0.00 3.46 3.55 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 L 7.74 3.92 0.00 1.81 1.73 0.93 0.77 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 0.00 575 K 8.07 4.12 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.59 7.81 576 R 7.77 4.19 0.00 1.95 1.86 0.00 3.26 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 577 Q 7.88 4.37 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 578 L 8.03 4.49 0.00 1.67 1.57 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.