NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 507 S 4.1706 8.1814 115.2790 59.2390 63.4468 173.7560 508 G 3.9483 8.6963 114.5034 45.8237 0.0000 172.4006 509 L 4.3073 7.4114 120.6653 53.6116 44.5269 175.3107 510 V 3.1999 7.4723 115.9145 63.0818 31.0431 170.9159 511 P 4.4394 0.0000 0.0000 63.1575 30.8206 179.1976 *513 G 3.6782 8.9158 97.7262 45.9199 0.0000 170.7228 514 S 5.0492 8.9675 117.6889 56.8406 66.7771 173.7323 515 D 5.1788 8.3547 117.2836 52.6681 45.5935 174.6823 516 I 4.7282 8.4707 119.9388 59.4211 41.4113 174.7228 517 D 5.0127 9.2492 129.1419 51.8811 41.9151 177.1928 518 A 3.9868 8.5427 119.2148 55.5183 18.1050 179.8879 519 T 3.8351 7.9283 113.9655 66.8620 68.6497 176.8563 520 Q 3.9644 8.6980 120.3237 58.7420 28.6437 178.4068 521 L 3.9458 8.1721 121.6950 58.1361 42.0946 178.6249 522 Q 4.0499 8.3913 119.8098 59.3183 29.0099 178.6375 523 G 3.6778 7.8520 106.2505 47.7067 0.0000 175.2249 524 L 3.9833 7.9817 122.7957 57.9483 42.1424 179.1527 525 L 4.0113 8.1765 119.1129 57.9390 41.5101 179.2662 526 N 4.5649 8.4523 116.5234 56.3954 38.2292 177.3246 527 Q 4.0012 8.0534 120.1945 59.1528 29.2619 177.5792 528 E 4.2344 8.4586 118.8037 58.3102 29.8171 178.0403 529 L 4.5993 8.4155 117.0042 56.2962 43.6753 175.9586 530 L 4.7217 7.4864 117.9239 53.3915 44.1937 176.2251 *536 D 4.3587 8.4406 117.3987 55.4045 40.7301 174.2855 537 M 4.8752 7.8085 121.3818 52.6309 36.1332 175.5672 538 F 4.3399 9.3292 120.6758 57.5483 39.6856 176.7413 539 S 4.6042 9.1128 121.0558 57.4103 65.5118 175.2833 540 L 3.9810 8.3388 123.6818 58.3246 41.8745 178.4628 541 D 4.3518 8.1167 117.5312 57.4583 41.1021 177.9121 542 E 4.0279 8.2411 119.0140 59.7908 29.4497 179.2207 543 C 4.1475 8.1964 116.6804 62.7876 28.0333 176.3925 544 R 3.9322 8.1852 119.8416 59.1302 29.4920 179.2743 545 S 3.9673 8.0030 115.0409 61.5158 62.6436 176.5544 546 L 3.9193 7.8768 120.5455 57.7726 41.6707 179.4644 547 V 3.7245 7.9389 117.8100 66.0662 31.5931 177.7897 548 A 3.6764 7.9933 120.5647 55.2204 17.8373 179.6788 549 L 3.9702 7.9585 116.3885 57.3235 41.7483 178.6232 550 M 4.3561 7.6580 116.2393 54.5348 33.0892 176.4218 551 E 4.3551 7.3452 118.7463 56.5505 30.3369 175.7051 552 L 4.3850 9.2300 122.3443 56.1185 43.4203 177.4029 553 K 4.1012 7.9209 123.8549 54.8964 31.4555 176.4881 554 V 4.0189 8.1778 127.7698 62.8388 30.8849 175.6306 555 N 4.7774 9.6450 122.4906 53.2347 39.0554 175.5265 556 G 4.0366 9.2153 106.5206 45.8731 0.0000 173.5449 557 R 4.7876 7.9347 114.2027 54.1950 32.8923 174.2611 558 L 4.7859 8.8889 119.4500 53.3131 43.0086 177.1222 559 D 5.2946 9.8731 126.9185 51.6048 42.4708 176.8900 560 Q 4.0296 8.5267 116.8447 59.6629 28.4682 178.0865 561 E 3.9318 8.2113 120.7797 59.0562 29.8142 178.4734 562 E 4.0089 8.9613 119.0248 59.3396 29.5377 179.1252 563 F 4.2178 8.6995 120.8112 61.2956 39.4202 176.7765 564 A 4.0634 8.3863 120.6050 55.4687 17.7049 179.8407 565 R 3.8271 7.9343 116.0573 59.2487 30.0689 179.1411 566 L 3.7931 7.7853 120.0862 57.7508 42.0395 178.7368 567 W 3.8150 8.2753 128.6263 60.1662 30.5820 177.6378 568 K 2.9239 8.1262 119.6369 59.2974 31.5716 178.8625 569 R 3.0055 7.0714 117.4488 58.9102 29.7966 178.8889 570 L 3.9403 7.4846 118.7727 57.7977 41.6274 179.7881 571 V 3.3785 7.4029 118.2503 66.0951 31.3318 177.5016 572 H 3.9538 7.7370 117.7276 59.6109 29.7130 176.7948 573 Y 4.5608 8.1183 118.8546 61.1141 37.5842 178.2307 574 Q 3.9769 8.7084 120.8733 59.6223 29.0552 178.0592 575 H 4.0771 8.1787 118.8683 59.3290 29.8221 177.1882 576 V 3.5488 8.0807 119.9278 65.9979 31.4045 177.6499 577 F 3.9670 8.8273 120.6651 61.5201 39.0847 176.9630 578 Q 4.0794 8.2597 116.4999 58.8996 28.5615 178.7098 579 K 3.9784 7.9873 119.7408 59.3537 32.4193 178.6264 580 V 3.7215 7.7556 116.7378 63.2577 31.9377 176.2524 581 Q 3.9092 7.0472 116.3185 56.4532 29.0296 176.5947 582 T 4.0830 8.6821 117.6232 66.1468 69.1012 175.0749 583 S 4.5405 7.6442 113.3428 55.8549 65.7637 171.1154 584 P 4.3093 0.0000 0.0000 64.3607 30.9147 177.0528 585 G 3.9893 9.0834 111.6181 45.5164 0.0000 172.8094 586 V 4.3315 8.4166 121.0538 61.1229 33.5251 173.8714 587 L 4.7056 7.9853 128.5420 53.0185 44.1683 175.4487 588 L 4.6334 8.3005 126.1250 54.2642 42.7498 177.9728 589 S 4.0618 9.0485 120.0457 62.0087 62.9558 176.9044 590 S 4.4501 8.0514 111.6712 59.8869 63.2691 174.6146 591 D 4.6493 8.1258 121.0944 54.0690 41.0354 177.4899 592 L 3.9305 7.7833 123.4712 57.8886 42.0288 178.6575 593 W 4.4221 8.4402 116.2176 59.8956 27.8754 178.3184 594 K 3.2349 6.8470 118.7104 58.5327 31.0709 179.1908 595 A 3.9473 7.5182 120.0382 55.0251 18.6593 179.2500 596 I 3.7778 7.7692 118.2873 64.6981 37.0647 178.1038 597 E 4.0065 7.9722 118.5278 59.2940 29.4180 177.7050 598 N 4.9945 7.7622 113.1230 52.7120 39.3964 175.4504 599 T 4.5825 7.8164 119.4843 61.3907 68.8447 174.3192 600 D 4.2635 8.4759 127.4971 57.1817 41.0802 179.4743 601 F 4.1690 7.7526 116.2602 59.9267 39.1943 175.6890 602 L 4.4683 8.1867 120.2893 54.1470 41.5377 176.5718 603 R 3.9864 7.5475 116.4334 57.6769 29.4996 177.4246 604 G 3.8864 8.6183 108.4300 45.4267 0.0000 173.0603 605 I 4.1731 7.1505 120.9408 59.6469 38.1965 175.1015 606 F 4.8071 8.6897 123.8274 55.4980 41.4603 174.5139 607 I 4.5848 8.2541 118.9300 58.7236 39.9438 176.1445 608 S 4.3982 8.2856 116.8891 58.0277 64.9823 175.0621 609 R 3.8623 8.5736 122.4298 59.8606 29.6544 178.3142 610 E 3.9369 8.1039 118.3935 59.1658 29.6903 178.3633 611 L 3.9741 8.2339 120.6638 57.9129 42.1250 178.4346 612 L 3.9670 8.1989 120.5752 58.5348 41.9763 178.3703 613 H 4.1166 8.4401 118.0309 59.3673 29.8095 177.0542 614 L 3.8962 8.0560 120.6017 58.0711 41.4634 180.0852 615 V 3.7430 8.1940 112.5704 64.5311 31.2732 178.7660 616 T 3.7636 7.9844 115.7170 66.5788 68.0595 176.5922 617 L 3.9049 7.5294 119.6686 57.8381 41.7168 179.3283 618 R 3.8210 7.7807 117.4898 58.5167 30.0843 177.0649 619 Y 4.5043 7.8919 113.7722 56.7084 39.1356 175.5435 620 S 4.9270 7.0903 114.6371 56.3163 65.2791 174.1227 621 D 4.7415 8.7052 122.1659 52.3148 41.2909 176.8300 622 S 4.2713 8.5351 112.1785 60.4342 63.3313 174.9723 623 V 4.2421 8.1591 113.9875 61.0806 31.6965 175.7343 624 G 4.0134 8.0818 107.3673 46.7859 0.0000 173.6414 625 R 5.1071 8.0996 116.7259 53.8620 32.8833 175.0614 626 V 4.7862 8.7674 122.2703 60.9715 33.9722 175.4550 627 S 4.5990 8.7160 122.5784 58.0533 64.3419 175.0235 628 F 3.8237 8.7633 122.5886 61.1732 39.0109 175.5304 629 P 3.2579 0.0000 0.0000 65.3050 30.9184 178.7934 630 S 4.1881 7.8060 113.7370 61.3769 62.7368 176.3787 631 L 3.8662 8.1557 123.4190 58.1020 41.8158 178.8279 632 V 2.8137 7.3482 118.2214 66.1771 31.3019 177.4237 633 C 3.9472 7.9742 116.0149 62.9195 28.0535 176.1583 634 F 3.5065 7.7171 121.6178 61.1540 38.9033 177.1840 635 L 3.2061 7.5781 118.9206 57.5244 41.2161 179.3183 636 M 3.9236 7.7006 118.2335 58.4481 32.1259 178.2701 637 R 3.7860 7.9182 118.9818 59.2213 30.2025 178.0235 638 L 3.8149 7.8526 120.5243 58.1347 41.9782 178.5206 639 E 3.8342 7.8843 118.7299 59.2781 29.5068 178.6493 640 A 3.9791 8.0142 120.7042 55.5261 18.5160 179.6008 641 M 4.0260 8.4349 117.3911 58.3758 31.9997 178.8905 642 A 4.1043 8.3595 121.3523 55.1279 18.4625 179.9015 643 K 3.9878 8.3078 117.0821 59.6854 32.0183 179.4495 644 T 3.8985 8.2145 116.4759 66.7904 68.4248 176.0731 645 F 4.0097 8.1166 121.4986 61.5566 39.2890 177.2823 646 R 4.1000 8.2287 116.3933 59.4860 29.9425 178.5439 647 N 4.5164 8.3378 115.6748 55.8803 38.7183 177.0561 648 L 4.1907 7.9771 119.6134 55.6381 42.2743 177.5657 649 S 4.0919 7.4612 114.3999 57.8914 62.6697 174.2776 650 K 4.1766 8.5749 126.9458 58.1946 32.1944 177.2063 651 D 4.7530 7.8665 114.8081 52.0400 40.3738 176.7281 652 G 4.0826 8.6591 108.3279 46.0397 0.0000 174.2240 653 K 4.5289 9.0049 119.3941 57.2362 33.7325 176.3364 654 G 4.4971 8.1190 104.3667 43.9919 0.0000 171.0449 655 L 4.6605 8.4648 119.9795 53.0633 44.8501 174.5999 656 Y 4.6971 8.6590 126.3315 55.7055 40.4698 174.5790 657 L 4.8748 7.3734 126.0241 52.1779 45.5939 177.1063 658 T 4.0382 8.5284 113.2891 61.1523 70.7210 175.2746 659 E 3.9783 8.7108 122.1891 60.1437 29.6051 179.1307 660 M 4.1195 8.0275 117.9507 58.2145 32.0585 178.5221 661 E 3.9436 8.3314 118.8257 59.1613 29.7339 178.7153 662 W 4.3416 8.6357 128.7008 61.1999 30.7281 177.8024 663 M 3.8120 8.4860 118.4063 58.2871 31.4114 178.8453 664 S 4.0579 8.0728 113.1860 61.4427 62.4082 176.1487 665 L 3.9589 7.7250 120.3324 57.6556 41.4372 179.3369 666 V 3.6852 7.2731 110.1547 62.7043 31.7644 177.4672 667 M 4.4274 7.7573 117.3927 55.3324 33.4074 175.5378 668 Y 4.5230 7.3027 120.8524 55.1479 37.8848 174.9587 669 N 3.9447 7.7835 121.3449 52.9547 36.7103 175.1489 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 507 S 8.18 4.17 0.00 3.83 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 0.00 508 G 8.70 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 L 7.41 4.31 0.00 1.39 1.64 0.87 0.85 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 0.00 510 V 7.47 3.20 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 0.70 0.00 0.00 -0.05 0.00 0.00 511 P 0.00 4.44 0.00 2.21 1.54 0.00 3.67 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 2.01 1.90 0.00 *513 G 8.92 3.68 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 0.00 0.00 0.00 514 S 8.97 5.05 0.00 3.74 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 0.00 515 D 8.35 5.18 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.73 1.54 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.75 0.00 0.00 517 D 9.25 5.01 0.00 2.81 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 0.00 518 A 8.54 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 T 7.93 3.84 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 1.21 0.00 0.00 520 Q 8.70 3.96 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 521 L 8.17 3.95 0.00 1.85 1.85 1.06 1.04 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 0.00 522 Q 8.39 4.05 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 523 G 7.85 3.68 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 0.00 0.00 0.00 524 L 7.98 3.98 0.00 1.79 1.89 0.97 0.64 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 0.00 525 L 8.18 4.01 0.00 1.48 1.34 0.18 0.88 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 0.00 526 N 8.45 4.56 0.00 2.92 2.96 0.00 0.00 6.70 7.33 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 0.00 527 Q 8.05 4.00 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 528 E 8.46 4.23 0.00 2.09 2.06 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 2.59 2.57 0.00 529 L 8.42 4.60 0.00 1.99 1.81 1.24 0.84 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 0.00 530 L 7.49 4.72 0.00 1.79 1.57 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *536 D 8.44 4.36 0.00 2.64 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 0.00 537 M 7.81 4.88 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 538 F 9.33 4.34 0.00 3.17 3.03 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 0.00 539 S 9.11 4.60 0.00 4.08 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 0.00 540 L 8.34 3.98 0.00 1.81 1.73 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 541 D 8.12 4.35 0.00 2.84 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 0.00 542 E 8.24 4.03 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 543 C 8.20 4.15 0.00 3.14 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 0.00 544 R 8.19 3.93 0.00 2.03 1.97 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 545 S 8.00 3.97 0.00 4.03 3.88 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 0.00 0.00 0.00 546 L 7.88 3.92 0.00 1.73 1.70 0.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 547 V 7.94 3.72 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 1.07 0.00 0.00 0.99 0.00 0.00 548 A 7.99 3.68 0.41 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 0.00 549 L 7.96 3.97 0.00 1.68 1.69 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 550 M 7.66 4.36 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 551 E 7.35 4.36 0.00 2.26 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 2.42 2.53 0.00 552 L 9.23 4.38 0.00 1.59 1.70 0.94 0.82 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 0.00 553 K 7.92 4.10 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 554 V 8.18 4.02 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 0.56 0.00 0.00 0.94 0.00 0.00 555 N 9.64 4.78 0.00 2.79 2.80 0.00 0.00 7.08 7.22 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 0.00 556 G 9.22 4.04 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 0.00 0.00 0.00 557 R 7.93 4.79 0.00 1.89 1.86 0.00 3.03 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 558 L 8.89 4.79 0.00 1.75 1.85 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 559 D 9.87 5.29 0.00 2.92 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 0.00 560 Q 8.53 4.03 0.00 2.41 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 561 E 8.21 3.93 0.00 2.08 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 0.00 2.41 2.43 0.00 562 E 8.96 4.01 0.00 2.17 2.04 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 2.52 2.44 0.00 563 F 8.70 4.22 0.00 3.16 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 0.00 564 A 8.39 4.06 1.47 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 0.00 0.00 0.00 565 R 7.93 3.83 0.00 2.11 1.94 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 566 L 7.79 3.79 0.00 1.72 1.68 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 567 W 8.28 3.81 0.00 2.59 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 0.00 568 K 8.13 2.92 0.00 1.86 1.69 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.37 7.81 569 R 7.07 3.01 0.00 1.53 0.92 0.00 2.82 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 570 L 7.48 3.94 0.00 1.65 1.74 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 571 V 7.40 3.38 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 0.76 0.00 0.00 -0.18 0.00 0.00 572 H 7.74 3.95 0.00 3.47 3.28 0.00 5.84 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 0.00 573 Y 8.12 4.56 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.52 2.27 0.00 582 T 8.68 4.08 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 1.19 0.00 0.00 583 S 7.64 4.54 0.00 3.95 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 0.00 584 P 0.00 4.31 0.00 2.08 2.12 0.00 3.76 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 2.05 2.14 0.00 585 G 9.08 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 0.00 586 V 8.42 4.33 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 0.83 0.00 0.00 0.97 0.00 0.00 587 L 7.99 4.71 0.00 0.74 1.52 0.51 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 588 L 8.30 4.63 0.00 1.74 1.55 0.91 0.92 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 0.00 589 S 9.05 4.06 0.00 3.86 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 0.00 590 S 8.05 4.45 0.00 4.07 4.04 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 0.00 591 D 8.13 4.65 0.00 2.73 2.47 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 0.00 592 L 7.78 3.93 0.00 1.90 1.69 0.90 0.61 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 0.00 593 W 8.44 4.42 0.00 3.72 3.38 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 0.00 594 K 6.85 3.23 0.00 1.39 1.33 0.00 1.25 0.00 0.00 1.25 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 0.21 7.81 595 A 7.52 3.95 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 0.00 596 I 7.77 3.78 2.15 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 1.15 0.94 0.00 0.00 597 E 7.97 4.01 0.00 2.10 2.16 0.00 0.00 0.00 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 2.44 0.00 598 N 7.76 4.99 0.00 2.85 2.84 0.00 0.00 6.88 6.87 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 0.00 599 T 7.82 4.58 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 1.48 0.00 0.00 600 D 8.48 4.26 0.00 2.44 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 0.00 0.00 0.00 0.00 0.00 601 F 7.75 4.17 0.00 3.03 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 0.00 602 L 8.19 4.47 0.00 1.78 1.58 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 603 R 7.55 3.99 0.00 1.87 1.93 0.00 3.06 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 604 G 8.62 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 0.00 0.00 0.00 605 I 7.15 4.17 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.87 0.00 0.00 606 F 8.69 4.81 0.00 3.03 2.95 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 0.00 0.00 0.00 0.00 607 I 8.25 4.58 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.97 0.00 0.00 608 S 8.29 4.40 0.00 4.09 4.06 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 0.00 609 R 8.57 3.86 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 610 E 8.10 3.94 0.00 2.13 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 0.00 2.39 2.46 0.00 611 L 8.23 3.97 0.00 1.83 1.83 0.99 0.73 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 0.00 612 L 8.20 3.97 0.00 1.95 1.92 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 613 H 8.44 4.12 0.00 3.28 3.52 0.00 5.84 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 0.00 614 L 8.06 3.90 0.00 1.91 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 615 V 8.19 3.74 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 1.00 0.00 0.00 0.76 0.00 0.00 616 T 7.98 3.76 4.34 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 1.19 0.00 0.00 617 L 7.53 3.90 0.00 1.71 1.64 0.80 0.89 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 0.00 618 R 7.78 3.82 0.00 1.60 1.85 0.00 2.96 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 619 Y 7.89 4.50 0.00 2.89 2.86 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 0.00 620 S 7.09 4.93 0.00 4.03 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 0.00 621 D 8.71 4.74 0.00 2.87 2.88 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 0.00 0.00 0.00 622 S 8.54 4.27 0.00 3.99 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 0.00 623 V 8.16 4.24 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 0.70 0.00 0.00 1.01 0.00 0.00 624 G 8.08 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 0.00 625 R 8.10 5.11 0.00 1.99 1.84 0.00 3.08 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 626 V 8.77 4.79 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 1.11 0.00 0.00 0.92 0.00 0.00 627 S 8.72 4.60 0.00 3.89 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 0.00 628 F 8.76 3.82 0.00 2.02 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 0.00 629 P 0.00 3.26 0.00 1.77 0.91 0.00 3.41 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.92 0.00 630 S 7.81 4.19 0.00 4.08 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 0.00 631 L 8.16 3.87 0.00 1.86 1.74 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 632 V 7.35 2.81 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 1.07 0.00 0.00 0.21 0.00 0.00 633 C 7.97 3.95 0.00 3.24 3.13 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 0.00 634 F 7.72 3.51 0.00 1.51 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 L 7.58 3.21 0.00 0.61 1.20 0.65 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 636 M 7.70 3.92 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 637 R 7.92 3.79 0.00 1.97 2.03 0.00 3.26 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 1.65 1.64 0.00 638 L 7.85 3.81 0.00 1.21 1.32 0.95 0.61 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 0.00 639 E 7.88 3.83 0.00 2.13 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 2.30 2.53 0.00 640 A 8.01 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.43 4.03 0.00 2.06 2.14 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 2.64 2.85 0.00 642 A 8.36 4.10 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 0.00 643 K 8.31 3.99 0.00 1.90 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.66 7.81 644 T 8.21 3.90 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 1.26 0.00 0.00 645 F 8.12 4.01 0.00 3.26 3.30 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 0.00 646 R 8.23 4.10 0.00 1.91 2.07 0.00 3.55 0.00 0.00 3.60 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 647 N 8.34 4.52 0.00 2.81 2.87 0.00 0.00 7.07 8.22 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 0.00 648 L 7.98 4.19 0.00 1.56 1.68 0.95 0.96 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 0.00 649 S 7.46 4.09 0.00 2.72 3.23 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 0.00 650 K 8.57 4.18 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 651 D 7.87 4.75 0.00 2.76 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 0.00 652 G 8.66 4.08 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 0.00 0.00 0.00 653 K 9.00 4.53 0.00 2.15 1.93 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 654 G 8.12 4.50 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 0.00 0.00 0.00 655 L 8.46 4.66 0.00 1.59 1.71 0.84 0.96 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 0.00 656 Y 8.66 4.70 0.00 2.96 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 0.00 657 L 7.37 4.87 0.00 1.59 1.55 1.23 0.99 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 0.00 658 T 8.53 4.04 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 1.35 0.00 0.00 659 E 8.71 3.98 0.00 2.07 2.04 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 2.47 2.49 0.00 660 M 8.03 4.12 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.66 0.00 661 E 8.33 3.94 0.00 2.31 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 2.36 2.35 0.00 662 W 8.64 4.34 0.00 3.34 3.34 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 0.00 663 M 8.49 3.81 0.00 2.06 2.14 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 2.73 3.07 0.00 664 S 8.07 4.06 0.00 3.90 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 0.00 665 L 7.72 3.96 0.00 1.66 1.64 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 666 V 7.27 3.69 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 -0.61 0.00 0.00 0.12 0.00 0.00 667 M 7.76 4.43 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 668 Y 7.30 4.52 0.00 2.87 2.92 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 0.00 669 N 7.78 3.94 0.00 2.69 2.60 0.00 0.00 6.17 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 * Residues marked with a * may have inaccurate shift predictions.