NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 449 G 4.0125 8.3393 109.7502 45.9269 0.0000 172.4905 450 S 4.4532 8.7217 111.8467 57.7123 64.1366 170.4922 451 E 4.5903 8.2583 119.8709 54.9474 32.9434 173.4443 452 S 3.9284 8.5140 118.2224 57.5386 61.4707 170.6871 453 R 4.1679 7.7616 132.8385 54.4201 30.5830 175.2835 454 F 4.8704 7.3936 119.2295 54.8692 40.6781 173.9696 455 Y 4.5738 8.3800 121.1273 56.3857 39.9335 175.5180 456 F 4.5941 8.7898 120.9478 58.5324 40.5772 176.3177 457 H 4.6102 8.3241 115.2263 54.7418 29.4384 172.4995 458 P 4.9557 0.0000 0.0000 60.8091 33.5212 176.3847 459 I 3.7409 8.2961 120.2397 63.9370 38.2399 178.2611 460 S 4.1777 8.0199 114.0092 60.5795 63.0081 174.3673 461 D 4.5343 7.6090 118.6955 54.7393 41.4629 176.3290 462 L 4.0128 7.1115 118.5570 53.2662 42.2919 175.0149 463 P 4.3348 0.0000 0.0000 62.1472 31.7794 174.6730 464 P 4.4586 0.0000 0.0000 61.9333 31.8726 174.3181 465 P 4.5578 0.0000 0.0000 62.5996 32.8434 174.4762 466 E 4.8964 8.0525 118.7178 54.0638 32.3427 172.9773 467 P 4.5000 0.0000 0.0000 62.7528 32.5084 175.3373 468 Y 4.3156 8.6232 122.7523 57.7550 38.7088 175.3615 469 V 3.9704 7.8815 126.6945 63.3998 32.6683 176.0925 470 Q 3.8933 6.6809 117.7790 55.6113 29.1326 175.7634 471 T 3.9785 7.9550 117.9869 63.1186 69.1452 174.6283 472 T 4.0261 8.6152 120.8025 62.6985 67.6608 173.6908 473 K 4.3396 8.1131 127.8924 55.9676 32.7618 176.5264 474 S 4.7068 8.4720 117.5376 58.2914 64.8893 173.0041 475 Y 4.7033 8.6737 121.3854 56.2197 38.6434 175.0032 476 P 4.3022 0.0000 0.0000 65.5557 29.8558 178.5496 477 S 4.2174 8.0384 114.0687 61.4646 62.5889 176.4347 478 K 4.1830 7.8001 120.9144 58.1392 31.8082 178.5056 479 L 4.2688 7.1121 117.0351 55.4440 42.5462 177.1445 480 A 4.1534 9.0701 125.3854 52.6633 17.7748 179.0219 481 R 4.5829 6.6444 113.9693 54.0765 31.2882 172.9272 482 N 4.3104 7.4316 118.3142 52.7382 41.7582 173.0534 483 E 4.6893 8.4269 119.7953 54.4202 32.8382 175.9240 484 S 4.3846 8.4739 116.3496 57.7762 61.9468 174.3537 485 R 5.1194 7.6207 121.8257 54.7781 30.6372 176.8973 *516 G 4.2264 8.1789 107.4250 45.6301 0.0000 172.1220 517 G 3.7568 8.6954 109.8518 45.8699 0.0000 174.0416 518 L 4.3673 8.9068 121.2653 56.7798 43.8582 176.7464 519 V 3.5966 7.7101 117.5196 64.9040 32.0319 174.7171 520 P 4.5803 0.0000 0.0000 61.6334 30.8845 174.3504 521 R 4.8957 8.3120 120.7759 53.9821 30.1753 173.6301 522 G 4.1733 8.2941 113.6219 45.3728 0.0000 170.3204 523 S 4.9206 8.5660 120.5520 57.8144 66.0823 173.8181 524 G 3.8423 10.0705 114.9160 46.5506 0.0000 176.2796 525 G 3.6617 8.8165 108.2905 45.3651 0.0000 174.0545 526 S 3.5303 9.3050 125.4767 57.9121 59.3595 169.5694 527 L 4.0697 8.0934 125.2829 54.1551 41.1887 176.1088 528 F 4.1693 8.5942 129.3012 57.4293 39.6313 175.1508 529 S 3.8650 8.1192 125.0809 58.5071 62.3605 172.5473 530 F 3.7253 8.1371 127.4252 57.5052 35.7489 174.1884 531 L 4.8435 8.2777 124.7517 54.5729 41.9861 176.7939 532 G 4.1631 9.1326 111.3278 45.1276 0.0000 172.0233 533 K 4.4355 7.9342 120.7329 56.0579 35.5158 177.3428 534 K 4.6281 7.3338 115.1201 56.2550 36.5260 173.1621 535 C 4.5694 8.5506 115.5973 57.5751 30.6504 173.1232 536 V 4.3669 8.7852 124.7202 61.3700 33.3830 174.8477 537 T 4.5158 8.4945 124.3353 64.0438 69.2233 174.9379 538 M 5.0371 9.3523 126.1499 56.5786 33.8598 176.4699 539 S 4.8286 7.6609 110.0871 57.4084 65.9596 173.9532 540 S 5.7005 8.8618 118.5487 56.0765 65.9725 172.8240 541 A 4.6541 8.1191 122.2704 50.5853 22.8291 175.1678 542 V 4.1608 8.2461 120.4936 62.7598 32.2311 175.6800 543 V 5.1128 8.6307 120.1783 60.1841 36.9667 173.5248 544 Q 4.4892 9.6763 123.5977 54.1483 32.0223 173.6612 545 L 4.6929 8.5675 128.1537 53.6917 43.9787 174.6226 546 Y 5.3243 8.7925 123.5443 56.2896 41.2884 174.5834 547 A 5.4797 9.2799 122.8825 50.3781 22.9428 174.7764 548 A 5.0147 9.3442 124.1137 50.8859 20.0479 177.0288 549 D 4.0151 9.8624 122.6969 55.7933 42.5808 179.6660 550 R 2.8496 8.0463 116.9516 55.1809 32.7530 175.6824 551 N 4.9414 8.3809 118.2603 53.6995 41.4132 175.7243 552 C 4.5374 7.4237 113.0796 57.0930 30.1507 173.7119 553 M 4.6509 7.8179 118.9474 54.6669 35.2790 173.4333 554 W 5.4238 8.8281 126.2717 56.2207 30.4697 175.8810 555 S 5.0663 9.6836 121.0968 56.4514 66.2335 173.5955 556 K 4.3326 8.8312 123.3587 56.5717 31.7110 176.6520 557 K 4.5001 8.3102 124.3338 57.6185 34.5007 176.2111 558 C 4.6432 7.3961 117.3764 58.2339 35.2157 172.6755 559 S 4.6082 8.8711 117.4946 54.5069 65.8247 173.5122 560 G 4.1313 7.4638 115.6346 46.4162 0.0000 174.1378 561 V 4.5775 8.0945 124.6993 60.4606 34.9666 173.0324 562 A 4.8788 8.7655 127.8014 50.0758 22.0967 175.2328 563 C 5.3279 9.2764 114.8304 56.4423 33.3669 172.5718 564 L 4.8459 9.1433 125.3251 53.7983 43.4745 175.2110 565 V 4.9135 9.2346 126.0646 60.9838 35.3603 173.9693 566 K 4.8136 9.5941 129.0376 55.1506 34.1215 174.6341 567 D 4.8999 8.9647 129.5941 52.7990 41.0895 176.3513 568 N 4.3266 8.6515 124.6853 55.7013 39.5150 175.3926 569 P 4.2302 0.0000 0.0000 65.4734 31.3843 176.8941 570 Q 4.0950 8.7152 116.6957 55.8320 29.2926 175.7769 571 R 3.7547 7.7884 116.0884 57.2888 29.2572 174.8406 572 S 4.5183 7.5589 111.7718 56.0491 66.5517 171.9036 573 Y 5.3363 7.9593 114.8824 56.5848 42.0453 174.8552 574 F 5.1682 9.7264 120.1740 55.6700 43.2950 173.5502 575 L 5.2022 9.2968 125.6079 53.5215 44.1887 175.1941 576 R 5.4606 9.2920 125.0584 54.6034 34.1138 174.2162 577 I 4.6071 9.1557 124.5535 59.3198 39.7027 174.4517 578 F 5.0447 7.9468 122.6395 54.5435 40.5734 174.6180 579 D 4.8140 8.7699 122.7704 54.1192 41.7832 176.8309 580 I 3.7864 8.1672 126.5429 63.8570 38.4379 177.5356 581 K 4.1408 8.2476 118.8468 59.3509 32.3810 177.7742 582 D 4.4040 9.1382 117.3606 56.4787 41.1486 178.2968 583 G 4.0525 8.2353 104.5771 45.3010 0.0000 174.3605 584 K 3.8154 8.0486 119.7749 57.6576 32.6345 174.0736 585 L 3.8553 8.3665 125.0440 54.0759 39.7832 172.6418 586 L 4.9438 8.5010 122.8549 54.6586 42.1994 175.8678 587 W 5.1184 8.1111 129.4343 56.3555 33.8665 173.4937 588 E 5.3193 8.2705 125.0866 54.7084 33.6552 174.7678 589 Q 4.0753 8.9042 122.7167 54.4023 32.5088 173.1660 590 E 4.3090 8.6551 127.7962 55.0344 30.4911 175.8477 591 L 4.0627 8.2542 127.1738 54.8494 42.8583 176.4767 592 Y 4.3643 8.1608 119.3100 57.0965 39.6918 175.1164 593 N 4.9416 8.0911 116.8786 53.4896 38.5342 175.0233 594 N 5.0231 7.8176 115.0812 51.7093 39.2447 173.1843 595 F 4.6801 8.0721 119.8632 56.3373 41.4431 174.6320 596 V 4.0945 7.2641 127.1237 60.9851 33.3014 173.9651 597 Y 3.9372 7.4865 125.6512 56.7551 40.1804 174.1888 598 N 5.0175 7.8665 123.3272 51.6715 40.8532 174.0497 599 S 4.7894 8.6885 118.8227 56.0574 64.2330 172.3000 600 P 4.2321 0.0000 0.0000 64.9358 31.3274 174.3317 601 R 4.1105 8.6351 124.3397 56.2287 27.9475 176.0704 602 G 3.9899 8.5990 114.7970 44.6411 0.0000 171.2523 603 Y 3.6940 8.9750 113.7581 57.8852 36.2474 168.8800 604 F 4.8918 8.0442 121.2864 57.1673 42.9944 172.6215 605 H 5.6128 9.0636 123.1874 54.1801 32.3957 172.6164 606 T 4.9125 8.7109 111.3017 59.9559 71.4124 172.8852 607 F 5.1396 9.8972 126.4695 56.3589 43.3648 172.9512 608 A 5.1757 7.6459 125.2652 49.8738 20.5570 176.8595 609 G 4.4645 7.9625 112.3744 44.1746 0.0000 171.9077 610 D 4.6170 8.7898 118.1866 57.6577 40.9549 178.1882 611 T 4.7545 7.5903 110.1577 63.7223 71.4387 173.0428 612 C 4.8941 7.8758 121.7214 57.4629 34.5469 171.7501 613 Q 5.1996 8.4844 124.5801 54.5735 31.1032 174.5896 614 V 5.4007 9.1827 118.2204 59.9841 36.0783 174.3227 615 A 4.9424 9.2386 123.2717 50.5359 23.1744 174.9175 616 L 5.0090 8.5852 119.3289 52.8572 44.9469 175.3443 617 N 5.2510 9.1534 122.0169 51.8302 42.1010 172.9690 618 F 5.4134 8.0555 118.9437 56.3231 40.8024 173.9909 619 A 4.1630 8.5955 121.5756 53.1634 19.0356 177.6171 620 N 4.9896 8.0480 113.2867 51.3197 40.7987 174.9330 621 E 3.9697 8.8176 126.5453 58.8228 29.4613 178.9491 622 E 3.8030 8.0077 119.2111 59.4853 29.7356 178.6812 623 E 3.8900 8.0183 117.6779 58.9513 29.4395 179.2129 624 A 2.9280 7.1480 121.1980 54.7209 18.3067 179.7036 625 K 3.5152 8.1130 117.2693 59.3222 31.9282 179.7231 626 K 3.8295 7.3412 118.8629 59.4836 32.0154 179.4489 627 F 4.2672 7.5569 115.0175 59.8093 37.6396 177.5315 628 R 3.3580 7.1289 119.3940 58.5566 29.6025 178.4828 629 K 3.8620 8.1744 119.5558 59.1749 32.2447 178.4718 630 A 3.9885 8.0665 121.4909 55.1768 18.2968 179.9552 631 V 3.5312 8.2165 117.8091 65.6077 31.1253 178.8419 632 T 4.1296 7.7414 115.7375 65.6563 68.2016 176.6118 633 D 4.2980 8.7928 120.5098 57.2702 41.3064 178.0479 634 L 3.9399 8.1306 121.1667 58.0336 41.8254 178.5498 635 L 4.0130 7.5294 119.1320 58.1877 42.0565 178.9575 636 G 3.7661 7.5774 104.1651 47.5749 0.0000 175.6795 637 R 4.0460 8.0528 119.4900 55.9522 30.4840 176.9997 638 R 4.2913 7.7976 116.7564 55.5953 31.0991 175.5040 639 Q 4.2737 8.6767 120.3663 57.0653 26.9798 176.1207 640 R 4.6932 8.4299 120.6226 55.9207 31.5418 175.9726 641 K 4.8137 7.8315 116.4361 55.0254 35.7823 176.0603 642 S 4.7574 8.3975 117.6920 57.9112 64.3637 174.0362 643 E 3.9743 8.3432 121.7516 56.5242 29.7933 177.0752 644 K 4.9315 8.6628 127.2295 58.1619 32.7826 176.7243 645 R 4.7712 7.5152 114.5773 54.2498 34.1623 174.3766 646 R 4.5303 8.3378 116.1364 55.3043 31.1606 176.2799 647 D 4.3936 8.3265 118.4572 54.7344 41.8637 175.5161 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 449 G 8.34 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 450 S 8.72 4.45 0.00 4.00 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 0.00 451 E 8.26 4.59 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 452 S 8.51 3.93 0.00 4.13 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 0.00 453 R 7.76 4.17 0.00 1.67 1.83 0.00 3.26 0.00 0.00 3.47 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 454 F 7.39 4.87 0.00 2.89 2.94 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 0.00 455 Y 8.38 4.57 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 456 F 8.79 4.59 0.00 3.03 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 0.00 457 H 8.32 4.61 0.00 3.23 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 P 0.00 4.96 0.00 2.20 2.10 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 459 I 8.30 3.74 2.06 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.99 0.00 0.00 460 S 8.02 4.18 0.00 4.00 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 0.00 461 D 7.61 4.53 0.00 2.65 2.82 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 0.00 462 L 7.11 4.01 0.00 1.30 0.20 0.72 0.86 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 0.00 463 P 0.00 4.33 0.00 2.30 2.10 0.00 3.00 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 464 P 0.00 4.46 0.00 2.06 2.00 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 465 P 0.00 4.56 0.00 1.37 0.49 0.00 3.24 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 466 E 8.05 4.90 0.00 1.97 1.84 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 2.20 2.30 0.00 467 P 0.00 4.50 0.00 2.13 2.23 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 468 Y 8.62 4.32 0.00 2.93 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 V 7.88 3.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 470 Q 6.68 3.89 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 471 T 7.95 3.98 4.18 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 0.00 0.00 1.20 0.00 0.00 472 T 8.62 4.03 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 473 K 8.11 4.34 0.00 0.79 1.46 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.37 7.81 474 S 8.47 4.71 0.00 3.83 3.85 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 0.00 0.00 0.00 0.00 475 Y 8.67 4.70 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 476 P 0.00 4.30 0.00 2.20 2.31 0.00 3.84 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 477 S 8.04 4.22 0.00 4.00 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 0.00 478 K 7.80 4.18 0.00 1.73 1.91 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.64 7.81 479 L 7.11 4.27 0.00 1.75 1.85 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 480 A 9.07 4.15 1.37 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 0.00 0.00 0.00 481 R 6.64 4.58 0.00 1.71 1.79 0.00 3.36 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 482 N 7.43 4.31 0.00 2.66 2.62 0.00 0.00 7.05 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 E 8.43 4.69 0.00 2.04 1.86 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 2.17 2.37 0.00 484 S 8.47 4.38 0.00 3.90 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 0.00 485 R 7.62 5.12 0.00 2.01 2.05 0.00 3.16 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 *516 G 8.18 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 G 8.70 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 L 8.91 4.37 0.00 1.60 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 519 V 7.71 3.60 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 0.83 0.00 0.00 0.93 0.00 0.00 520 P 0.00 4.58 0.00 2.33 2.20 0.00 3.43 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 521 R 8.31 4.90 0.00 1.78 2.10 0.00 3.49 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 522 G 8.29 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 S 8.57 4.92 0.00 3.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 G 10.07 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 0.00 0.00 0.00 525 G 8.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 S 9.31 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0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 535 C 8.55 4.57 0.00 3.02 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.79 4.37 2.14 0.00 0.00 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 0.97 0.00 0.00 537 T 8.49 4.52 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 538 M 9.35 5.04 0.00 1.88 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.40 0.00 539 S 7.66 4.83 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 S 8.86 5.70 0.00 3.95 3.85 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 0.00 0.00 0.00 0.00 541 A 8.12 4.65 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 0.00 542 V 8.25 4.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.61 1.64 0.00 551 N 8.38 4.94 0.00 2.66 2.77 0.00 0.00 6.63 7.66 0.00 0.00 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 C 7.42 4.54 0.00 2.81 2.85 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 0.00 0.00 0.00 0.00 553 M 7.82 4.65 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 554 W 8.83 5.42 0.00 3.16 2.97 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 0.00 0.00 0.00 555 S 9.68 5.07 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 4.33 0.00 1.58 1.60 0.00 1.42 0.00 0.00 0.88 0.00 0.00 2.56 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.32 7.81 557 K 8.31 4.50 0.00 1.63 1.90 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.45 7.81 558 C 7.40 4.64 0.00 2.89 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 S 8.87 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0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 576 R 9.29 5.46 0.00 1.93 1.96 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 577 I 9.16 4.61 1.59 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.07 0.48 0.00 0.00 578 F 7.95 5.04 0.00 3.05 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 0.00 579 D 8.77 4.81 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 3.79 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.91 0.00 0.00 581 K 8.25 4.14 0.00 1.93 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 582 D 9.14 4.40 0.00 2.62 2.72 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 0.00 583 G 8.24 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 584 K 8.05 3.82 0.00 1.89 1.98 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 585 L 8.37 3.86 0.00 1.87 1.78 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 586 L 8.50 4.94 0.00 1.69 1.73 0.97 1.05 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 0.00 587 W 8.11 5.12 0.00 3.35 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 0.00 588 E 8.27 5.32 0.00 1.72 1.81 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 2.24 2.26 0.00 589 Q 8.90 4.08 0.00 1.08 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.54 0.00 590 E 8.66 4.31 0.00 1.85 1.69 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 2.00 1.47 0.00 591 L 8.25 4.06 0.00 1.71 1.63 1.03 0.83 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 0.00 592 Y 8.16 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0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 601 R 8.64 4.11 0.00 2.04 2.03 0.00 3.36 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 602 G 8.60 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 603 Y 8.97 3.69 0.00 3.17 3.33 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 0.00 604 F 8.04 4.89 0.00 3.05 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 H 9.06 5.61 0.00 3.39 3.59 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 T 8.71 4.91 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 607 F 9.90 5.14 0.00 3.04 3.08 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 0.00 0.00 0.00 608 A 7.65 5.18 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 0.00 609 G 7.96 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 0.00 610 D 8.79 4.62 0.00 2.73 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 0.00 611 T 7.59 4.75 4.31 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 1.35 0.00 0.00 612 C 7.88 4.89 0.00 2.97 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 0.00 613 Q 8.48 5.20 0.00 2.41 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.91 0.00 614 V 9.18 5.40 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.44 0.00 0.00 615 A 9.24 4.94 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 L 8.59 5.01 0.00 1.85 1.87 0.63 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 617 N 9.15 5.25 0.00 3.12 2.96 0.00 0.00 6.77 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 F 8.06 5.41 0.00 3.12 3.27 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 0.00 619 A 8.60 4.16 1.18 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 0.00 0.00 0.00 0.00 0.00 620 N 8.05 4.99 0.00 2.71 2.77 0.00 0.00 7.59 7.56 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 0.00 621 E 8.82 3.97 0.00 1.93 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 2.44 2.15 0.00 622 E 8.01 3.80 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 623 E 8.02 3.89 0.00 1.99 1.96 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 0.00 2.34 2.40 0.00 624 A 7.15 2.93 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 K 8.11 3.52 0.00 1.74 1.71 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.63 7.81 626 K 7.34 3.83 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.64 7.81 627 F 7.56 4.27 0.00 3.22 3.26 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 0.00 0.00 0.00 0.00 628 R 7.13 3.36 0.00 0.80 1.51 0.00 2.82 0.00 0.00 2.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 629 K 8.17 3.86 0.00 1.80 1.83 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 630 A 8.07 3.99 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 0.00 631 V 8.22 3.53 2.34 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 1.32 0.00 0.00 1.05 0.00 0.00 632 T 7.74 4.13 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 633 D 8.79 4.30 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 L 8.13 3.94 0.00 1.79 1.64 1.01 0.88 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 0.00 635 L 7.53 4.01 0.00 1.68 1.90 1.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 636 G 7.58 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 0.00 0.00 0.00 637 R 8.05 4.05 0.00 1.84 2.04 0.00 3.26 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 638 R 7.80 4.29 0.00 2.02 2.06 0.00 3.37 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 639 Q 8.68 4.27 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 640 R 8.43 4.69 0.00 1.81 1.99 0.00 3.32 0.00 0.00 3.49 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 641 K 7.83 4.81 0.00 1.73 1.69 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.47 7.81 642 S 8.40 4.76 0.00 3.83 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 0.00 643 E 8.34 3.97 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 644 K 8.66 4.93 0.00 1.78 1.83 0.00 1.60 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 645 R 7.52 4.77 0.00 1.78 1.76 0.00 3.26 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 646 R 8.34 4.53 0.00 1.89 1.93 0.00 3.03 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 647 D 8.33 4.39 0.00 2.62 2.53 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 0.00 * Residues marked with a * may have inaccurate shift predictions.