NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 448 T 4.1294 8.1744 115.2538 61.7233 69.5983 174.1416 449 D 4.2090 7.9112 120.7684 53.2097 42.0039 174.3210 450 P 4.6467 0.0000 0.0000 65.0315 32.4943 178.2245 451 R 3.9041 7.9629 117.0505 58.7752 30.2085 177.0935 452 K 4.5733 8.1768 115.7942 56.0438 32.4655 175.3372 453 S 5.6051 7.9448 115.3441 56.9531 66.0928 173.0858 454 E 5.3747 9.7333 122.1735 54.5724 34.0052 174.3913 455 L 4.7639 8.9637 125.3546 53.5167 44.4650 174.5314 456 Y 4.7272 9.2266 125.2046 56.7530 40.0136 174.8837 457 V 4.5595 8.9461 124.8823 61.3585 33.6994 174.3799 458 V 4.6801 8.6322 129.5810 61.6557 33.1279 174.3899 459 E 4.8160 9.6111 127.9032 56.0010 32.3700 175.1129 460 G 4.6359 8.9106 108.4174 46.0730 0.0000 172.3547 461 D 4.6780 8.7324 120.9635 54.4962 42.6605 177.0965 462 S 4.5498 7.5596 113.7172 56.8449 63.0614 172.1743 463 A 4.6534 7.4829 126.0538 50.1306 22.3321 180.1612 464 G 4.0299 7.9837 106.0439 46.2728 0.0000 176.3351 *474 M 4.4536 8.6594 126.5985 54.8479 32.8359 173.1981 475 F 4.2489 9.2211 129.8384 58.2354 40.9042 174.0328 476 Q 5.1028 7.9809 124.7560 53.9754 30.3409 175.0125 477 A 4.5418 9.3632 126.9995 51.7974 20.1258 176.1496 478 I 5.1629 8.2260 119.8307 59.6385 40.9924 174.9611 479 L 4.9868 9.0847 126.1578 52.3615 45.8188 174.4029 480 P 5.1124 0.0000 0.0000 62.3601 33.5435 175.7636 481 L 4.5762 8.5267 122.8742 54.1702 44.2937 175.3383 482 R 4.5364 9.6587 126.1418 55.4484 31.4536 176.1864 483 G 3.8549 8.8342 110.7351 47.3662 0.0000 174.0236 *492 R 4.4639 7.8627 115.7003 55.3120 31.2395 174.2702 493 I 3.9472 7.9520 119.0427 65.2870 37.6274 177.4006 494 D 4.4307 8.2097 121.4312 57.0436 39.4973 178.9912 495 R 4.1106 7.9689 121.6028 60.9759 29.5691 181.4632 496 V 3.8445 7.7918 117.6690 66.0607 31.3484 178.0981 497 L 4.1245 7.6625 119.4578 57.4534 41.4639 179.3382 498 K 4.4383 7.3996 122.2492 56.6345 32.4121 181.8934 499 N 4.6081 7.5701 117.4806 54.3789 39.6899 175.3430 500 T 3.8901 8.8864 122.7142 67.1037 68.6454 176.3121 501 E 3.9739 8.2292 119.6739 59.3298 29.5527 179.4840 502 V 3.5954 7.9639 117.9759 66.1436 31.5675 178.0316 503 Q 3.9931 8.4855 117.9981 58.9579 28.4786 178.8265 504 A 4.0003 8.2132 121.7485 55.1037 18.4104 179.7698 505 I 3.6445 7.6246 117.7443 64.6122 37.0227 178.6265 506 I 3.7298 7.5824 119.0308 64.8005 37.1314 178.3365 507 T 4.0159 8.1939 116.3348 66.6518 68.0854 176.5263 508 A 4.1411 8.0320 121.4404 55.3148 18.6363 179.3063 509 L 4.3191 8.1294 117.6037 56.0607 41.4920 179.5176 510 G 4.0329 7.8658 104.9596 45.8238 0.0000 174.3921 511 T 3.7693 7.5890 110.2654 62.1162 69.3228 175.6760 512 G 4.0529 8.3060 108.1952 44.7552 0.0000 171.5764 513 I 5.0131 7.5690 110.1951 59.5280 41.8616 178.7460 514 H 3.9988 8.8689 122.5551 57.6447 30.2478 178.5748 515 D 4.3759 8.9045 116.5502 56.5919 40.5160 176.4190 516 E 4.2549 7.9635 116.7040 56.4149 29.8916 176.4699 517 F 4.0780 7.8560 122.6884 58.5198 39.7857 173.8464 518 D 4.5183 8.1993 127.4930 51.9233 42.5431 175.4677 519 I 3.4618 8.2960 128.3017 63.8582 38.1569 178.1998 520 G 3.6542 7.7937 108.4042 47.8597 0.0000 174.0805 521 K 4.2122 7.5077 117.5377 55.8037 32.2833 176.3822 522 L 4.0865 7.5678 122.6857 55.3409 42.3296 176.9046 523 R 3.9142 8.8579 126.7798 57.5292 30.4781 175.2480 524 Y 5.0332 7.5665 114.5785 56.1174 40.8512 174.6693 525 H 4.5406 9.1743 125.6269 58.5426 30.7414 175.6721 526 K 5.0433 8.2908 116.2910 54.5056 36.1988 175.4801 527 I 4.8178 9.2688 124.9904 59.7027 40.0722 174.5945 528 V 4.6034 8.5960 128.5078 60.9337 33.6211 174.2230 529 L 4.9387 8.8864 128.9277 53.6621 43.6689 175.2711 530 M 5.0789 9.1939 123.6501 53.7725 34.8619 174.0496 531 A 5.6476 8.3317 125.9912 49.8272 22.9805 175.1602 532 D 4.4523 8.6321 118.2816 54.0536 41.5265 178.0526 533 A 4.0552 8.4284 124.4912 54.5248 18.8938 178.2738 534 D 4.6220 7.8043 116.2742 52.8145 41.5490 177.2183 535 V 3.5029 8.2221 118.2163 66.2451 31.4560 177.3769 536 D 4.4305 8.0968 118.1595 57.4483 40.8339 178.9767 537 G 3.9250 8.3288 107.4465 47.2309 0.0000 175.8377 538 Q 4.0255 8.1454 120.4056 59.0997 28.8056 178.3665 539 H 4.2797 8.4244 117.4400 59.2257 28.7388 177.9411 540 I 3.8024 7.4735 120.2471 64.5237 36.9430 178.6541 541 S 4.2480 7.9708 115.5365 61.8258 62.5970 176.9067 542 T 3.8535 8.3484 118.8330 66.4710 68.2384 176.2955 543 L 3.8163 7.8765 122.0068 58.2226 42.1960 178.8633 544 L 3.9724 8.0764 120.2487 58.1496 41.9543 178.8891 545 L 4.0389 8.1882 119.1359 57.8377 41.3375 179.7138 546 T 3.7922 7.8162 115.8750 66.5549 68.3532 176.6586 547 L 4.1204 7.7693 120.8609 57.9274 41.6463 179.7120 548 L 4.0366 8.0752 118.8538 57.7430 41.3394 179.3674 549 F 4.1238 8.2658 119.9221 61.2413 39.3823 177.0681 550 R 3.6755 8.0144 117.0390 57.8766 30.1997 177.8547 551 F 5.0365 8.1233 114.8765 57.1665 40.8596 175.7868 552 M 4.5791 7.9985 119.1390 53.4584 33.6560 177.3791 553 R 3.6704 8.1196 120.2448 59.4792 30.0388 175.1675 554 P 4.3891 0.0000 0.0000 65.0931 31.2316 178.4668 555 L 4.1631 7.8236 118.4602 57.6987 41.4897 179.5384 556 I 3.6996 7.7368 119.6442 64.4765 37.0167 178.0798 557 E 3.9951 8.1364 117.3890 59.3584 29.3531 177.6850 558 N 4.6094 8.3432 113.7026 52.8856 38.6215 175.2382 559 G 3.7310 7.7902 106.0664 47.0372 0.0000 174.8701 560 H 4.6585 8.1762 118.3986 56.7141 30.3719 175.3534 561 V 4.6775 7.5236 119.2901 61.6860 33.0245 174.7731 562 F 5.2990 9.4340 125.7004 55.7558 43.9212 173.3818 563 L 5.1659 8.9682 120.9899 52.9724 44.0702 175.5929 564 A 4.4862 8.9090 126.8544 51.4069 19.6372 176.7206 565 Q 4.3631 8.8073 125.2649 54.0825 29.1879 173.8983 566 P 4.5713 0.0000 0.0000 61.1726 32.2418 175.0602 567 P 4.0430 0.0000 0.0000 63.0994 31.9470 176.1463 568 L 4.3608 8.8101 120.2674 56.3479 43.3709 176.2019 569 Y 5.1627 7.8235 114.4631 55.8713 42.8396 174.2727 570 K 4.4858 8.5283 123.2157 54.5703 35.1423 174.9282 571 L 4.2169 8.6525 128.7826 53.1329 42.2871 176.5251 572 K 4.5189 8.2921 127.7581 54.3611 29.8578 176.7115 573 W 4.4548 7.6446 121.0825 57.0488 29.6205 176.6270 574 Q 4.1701 9.7873 127.5823 59.6191 28.2739 180.0067 575 R 4.7441 7.8664 113.8019 55.1684 30.6113 176.8397 576 S 4.7282 7.8949 111.9553 57.4745 65.9881 172.9838 577 D 4.7161 8.5375 120.6809 53.9267 40.9596 175.2159 578 P 4.6868 0.0000 0.0000 63.0578 32.4107 175.2777 579 E 4.9173 8.6606 120.6608 54.7606 32.8074 174.8016 580 F 5.2901 8.9119 119.8680 55.6792 41.9346 174.4345 581 A 5.0163 8.8927 124.7456 50.5761 21.2269 176.5979 582 Y 4.5693 9.6490 118.5485 57.9816 39.0467 175.4403 583 S 4.7233 7.5465 114.1718 56.3928 66.9482 175.0501 584 D 4.3946 8.7379 122.3691 57.4281 40.5724 178.9955 585 R 3.8919 7.9958 118.7770 59.5075 30.1217 178.0810 586 E 4.0080 8.2439 119.0688 59.0471 29.6239 178.5752 587 R 3.8087 8.0731 118.8127 59.6515 30.1065 178.2194 588 D 4.4135 8.1568 118.6332 57.1847 40.8012 179.0774 589 G 3.6001 8.1333 106.1134 47.9619 0.0000 175.7872 590 L 4.1491 8.3449 122.5589 57.2243 41.6395 179.6567 591 L 4.2806 8.1664 119.0022 57.8746 41.5942 179.2064 592 E 3.9523 8.2789 118.9657 59.2737 29.6138 178.6705 593 A 4.0761 8.2644 120.9815 54.9817 18.4475 179.8659 594 G 2.7399 8.3073 104.2812 47.8393 0.0000 176.0163 595 L 4.2373 8.0555 122.1409 57.1683 41.3487 179.6465 596 K 4.0009 7.8851 118.8590 59.3054 32.2431 178.5533 597 A 4.1065 7.7087 120.0101 53.2007 18.3221 178.1894 598 G 4.0176 7.3211 103.2802 44.8647 0.0000 174.2022 599 K 4.1459 7.6147 118.9726 56.1682 32.8830 176.5665 600 K 4.8578 8.7039 121.9958 54.9226 34.9200 175.0653 601 I 4.8387 8.1773 122.7257 59.2261 41.6563 173.8391 602 N 4.5504 8.6365 127.2196 52.7182 39.3249 176.0675 603 K 4.0469 8.6414 125.2641 59.3261 33.1424 177.8121 604 E 4.2591 8.3154 118.4731 57.8990 29.9913 176.4602 605 D 4.7645 8.2664 113.5372 52.4460 40.9498 176.6401 606 G 3.4158 8.2683 110.2923 47.5672 0.0000 173.0497 607 I 4.5964 7.3427 119.9143 59.4766 39.1091 174.7793 608 Q 4.1771 8.6298 130.0560 54.8462 30.3822 174.3362 609 R 4.5725 8.3422 127.4462 55.0141 30.8957 175.3459 610 Y 4.5656 8.3993 127.8392 58.8278 37.9668 176.9280 611 K 4.3870 9.9920 125.1362 55.2550 33.6070 174.8041 612 G 4.1766 7.5529 103.7976 45.0752 0.0000 174.2569 613 L 3.8376 9.2536 120.3335 57.5010 41.6309 180.3242 614 G 3.7775 7.9660 106.1178 47.2377 0.0000 174.2306 615 E 4.1915 7.7332 118.9783 58.6490 29.8611 177.2498 616 M 4.4046 7.4694 118.2707 54.4991 33.0677 176.3520 617 D 4.6433 8.4549 121.5416 52.7534 42.2400 177.1574 618 A 3.9795 8.6501 123.3726 55.5590 18.2693 180.1556 619 K 3.9194 7.9821 117.2010 59.9111 32.4170 178.8457 620 E 4.2529 8.8102 120.3991 58.4453 29.3437 179.0290 621 L 3.7658 7.9414 120.6830 57.7469 42.1128 178.9045 622 W 3.7516 8.0395 127.8750 60.5022 30.2933 177.5970 623 E 3.8487 8.3775 118.8222 59.4714 28.4492 179.1196 624 T 4.3166 7.9460 110.2241 61.8648 69.2592 176.2166 625 T 4.4803 7.5547 108.9910 61.1727 70.6190 174.4347 626 M 4.2596 7.2316 119.3645 54.5202 34.1583 175.6105 627 D 3.5303 6.5810 118.7943 53.0601 41.3671 174.9211 628 P 4.2045 0.0000 0.0000 65.3482 31.5152 177.8055 629 S 4.3041 7.7544 110.7830 59.5934 63.6143 174.8607 630 V 4.1040 7.5498 119.2713 64.0439 32.8860 175.9939 631 R 3.9620 7.5169 114.3341 55.7358 29.5288 176.1308 632 V 4.0426 7.9104 118.9586 61.3924 33.0801 173.7537 633 L 5.2034 8.3089 127.2916 52.8963 44.3099 176.2720 634 R 4.6680 8.6831 121.4869 54.1207 32.9037 175.0560 635 Q 3.6619 8.7977 126.1789 55.8708 29.8612 175.4342 636 V 4.0901 8.1953 128.0030 62.4156 32.2079 176.0354 637 T 4.3167 8.6225 118.8839 60.1701 70.5455 175.6146 638 L 4.0029 8.3456 122.4783 58.4014 41.9734 178.4397 639 D 4.2874 8.0238 118.3830 57.3202 40.8876 178.2882 640 D 4.2473 7.9746 118.9275 57.4232 40.8578 178.8071 641 A 3.8359 7.8597 120.9289 54.9346 18.3405 179.5538 642 A 2.6183 7.7884 119.2790 54.7512 18.3616 179.7666 643 A 3.8717 7.8878 119.1555 55.0176 18.3309 179.7882 644 A 3.9140 7.7554 119.3047 55.1821 18.4249 179.3332 645 D 4.3837 7.8646 117.9975 56.8729 41.2713 178.1563 646 E 3.9092 8.1277 119.8358 59.1190 29.6835 178.4346 647 L 3.9408 7.9245 120.4425 58.0837 42.1559 178.6656 648 F 4.0908 8.4533 120.6262 61.5829 39.2695 177.3046 649 S 4.1243 8.2433 114.7168 61.4684 62.4319 176.8377 650 I 3.6403 7.8581 122.4585 64.5255 36.7204 178.5671 651 L 3.9553 7.6335 118.1931 57.9772 41.4234 179.2768 652 M 4.0901 7.6522 118.2247 58.1157 31.9037 178.7617 653 G 3.6702 7.6333 104.6838 47.2437 0.0000 173.9295 654 E 4.2664 7.6065 124.6072 56.5955 29.6761 176.4673 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 448 T 8.17 4.13 4.20 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 0.00 0.00 1.16 0.00 0.00 449 D 7.91 4.21 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.16 2.22 0.00 3.87 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 451 R 7.96 3.90 0.00 1.70 2.08 0.00 3.16 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 452 K 8.18 4.57 0.00 1.87 1.85 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.55 7.81 453 S 7.94 5.61 0.00 3.92 3.97 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 0.00 454 E 9.73 5.37 0.00 2.08 1.94 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 2.33 2.38 0.00 455 L 8.96 4.76 0.00 0.27 1.09 0.70 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 456 Y 9.23 4.73 0.00 2.96 2.87 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 0.00 457 V 8.95 4.56 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 458 V 8.63 4.68 2.11 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 0.92 0.00 0.00 1.01 0.00 0.00 459 E 9.61 4.82 0.00 1.89 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 2.23 2.24 0.00 460 G 8.91 4.64 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 0.00 0.00 0.00 461 D 8.73 4.68 0.00 2.67 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 0.00 462 S 7.56 4.55 0.00 3.90 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 0.00 463 A 7.48 4.65 1.26 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 0.00 0.00 464 G 7.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 *474 M 8.66 4.45 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 475 F 9.22 4.25 0.00 3.22 2.99 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 0.00 476 Q 7.98 5.10 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 477 A 9.36 4.54 1.39 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 0.00 0.00 478 I 8.23 5.16 1.88 0.00 0.00 0.80 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 0.69 0.94 0.00 0.00 479 L 9.08 4.99 0.00 1.52 1.50 0.93 1.00 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 0.00 480 P 0.00 5.11 0.00 2.08 2.05 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 481 L 8.53 4.58 0.00 1.77 1.56 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 482 R 9.66 4.54 0.00 1.79 1.99 0.00 3.33 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 1.66 1.70 0.00 483 G 8.83 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 0.00 0.00 0.00 *492 R 7.86 4.46 0.00 1.78 1.97 0.00 3.26 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 493 I 7.95 3.95 2.12 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.22 1.08 0.00 0.00 494 D 8.21 4.43 0.00 2.85 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 0.00 495 R 7.97 4.11 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 496 V 7.79 3.84 2.26 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 1.00 0.00 0.00 1.07 0.00 0.00 497 L 7.66 4.12 0.00 1.72 1.58 0.44 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 498 K 7.40 4.44 0.00 1.83 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.30 7.81 499 N 7.57 4.61 0.00 2.76 2.93 0.00 0.00 7.01 7.15 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 0.00 500 T 8.89 3.89 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 501 E 8.23 3.97 0.00 2.22 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 0.00 2.41 2.38 0.00 502 V 7.96 3.60 2.33 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 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0.00 577 D 8.54 4.72 0.00 2.66 2.76 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 0.00 578 P 0.00 4.69 0.00 1.69 1.94 0.00 3.83 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 2.09 2.05 0.00 579 E 8.66 4.92 0.00 2.22 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 2.39 2.51 0.00 580 F 8.91 5.29 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 A 8.89 5.02 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 0.00 582 Y 9.65 4.57 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.72 0.00 4.10 4.03 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 0.00 0.00 0.00 584 D 8.74 4.39 0.00 2.84 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 0.00 585 R 8.00 3.89 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 586 E 8.24 4.01 0.00 2.22 2.17 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 2.42 2.42 0.00 587 R 8.07 3.81 0.00 1.68 1.86 0.00 2.47 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.18 0.00 588 D 8.16 4.41 0.00 2.95 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 G 8.13 3.60 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 0.00 0.00 0.00 590 L 8.34 4.15 0.00 1.82 1.94 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 591 L 8.17 4.28 0.00 1.94 1.76 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 592 E 8.28 3.95 0.00 2.19 2.09 0.00 0.00 0.00 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 2.48 0.00 593 A 8.26 4.08 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 0.00 594 G 8.31 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 L 8.06 4.24 0.00 1.78 1.78 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 596 K 7.89 4.00 0.00 1.94 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.44 7.81 597 A 7.71 4.11 1.23 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 0.00 598 G 7.32 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 599 K 7.61 4.15 0.00 0.87 1.21 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.12 1.02 7.81 600 K 8.70 4.86 0.00 1.77 1.76 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.44 7.81 601 I 8.18 4.84 1.60 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.52 0.83 0.00 0.00 602 N 8.64 4.55 0.00 2.73 2.69 0.00 0.00 6.89 6.31 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 0.00 603 K 8.64 4.05 0.00 1.87 1.91 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 604 E 8.32 4.26 0.00 2.09 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 2.26 0.00 605 D 8.27 4.76 0.00 2.69 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 0.00 606 G 8.27 3.42 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 0.00 607 I 7.34 4.60 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.25 0.73 0.00 0.00 608 Q 8.63 4.18 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 1.90 2.12 0.00 609 R 8.34 4.57 0.00 1.98 1.80 0.00 3.30 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 610 Y 8.40 4.57 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.99 4.39 0.00 1.69 1.70 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.23 7.81 612 G 7.55 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 0.00 0.00 0.00 0.00 613 L 9.25 3.84 0.00 1.85 1.67 0.87 0.95 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 0.00 614 G 7.97 3.78 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 0.00 0.00 0.00 615 E 7.73 4.19 0.00 2.25 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 0.00 2.41 2.33 0.00 616 M 7.47 4.40 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 617 D 8.45 4.64 0.00 2.90 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 0.00 618 A 8.65 3.98 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 0.00 619 K 7.98 3.92 0.00 1.85 1.99 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.53 7.81 620 E 8.81 4.25 0.00 2.18 1.87 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 2.70 2.36 0.00 621 L 7.94 3.77 0.00 1.65 1.83 0.85 0.68 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 0.00 622 W 8.04 3.75 0.00 3.42 3.31 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 0.00 623 E 8.38 3.85 0.00 2.15 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 2.57 2.76 0.00 624 T 7.95 4.32 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 625 T 7.55 4.48 4.27 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 1.18 0.00 0.00 626 M 7.23 4.26 0.00 1.51 1.16 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.11 0.00 627 D 6.58 3.53 0.00 1.58 2.17 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 0.00 628 P 0.00 4.20 0.00 2.05 2.06 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 629 S 7.75 4.30 0.00 4.00 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 0.00 630 V 7.55 4.10 2.11 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 0.97 0.00 0.00 0.96 0.00 0.00 631 R 7.52 3.96 0.00 1.90 1.85 0.00 3.05 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 632 V 7.91 4.04 1.59 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 0.94 0.00 0.00 -0.07 0.00 0.00 633 L 8.31 5.20 0.00 1.48 1.59 0.50 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 634 R 8.68 4.67 0.00 1.79 1.81 0.00 3.17 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 635 Q 8.80 3.66 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 1.98 1.35 0.00 636 V 8.20 4.09 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 0.75 0.00 0.00 0.85 0.00 0.00 637 T 8.62 4.32 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 638 L 8.35 4.00 0.00 1.79 1.72 1.05 1.19 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 0.00 639 D 8.02 4.29 0.00 2.72 2.66 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 0.00 640 D 7.97 4.25 0.00 2.93 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 0.00 641 A 7.86 3.84 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 0.00 642 A 7.79 2.62 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 3.87 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 0.00 644 A 7.76 3.91 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 0.00 645 D 7.86 4.38 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 E 8.13 3.91 0.00 2.15 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 2.30 2.30 0.00 647 L 7.92 3.94 0.00 1.92 1.87 0.93 0.91 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 0.00 648 F 8.45 4.09 0.00 3.23 3.21 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 0.00 0.00 0.00 0.00 649 S 8.24 4.12 0.00 4.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 I 7.86 3.64 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.89 0.00 0.00 651 L 7.63 3.96 0.00 1.45 1.61 0.93 0.74 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 0.00 652 M 7.65 4.09 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.42 0.00 653 G 7.63 3.67 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 0.00 0.00 0.00 654 E 7.61 4.27 0.00 2.03 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 2.54 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.