NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 496 P 4.2740 0.0000 0.0000 61.5513 33.1627 177.4118 497 G 3.8583 8.6327 104.4021 43.2723 0.0000 171.6095 498 F 5.3594 8.2013 114.7180 55.2911 42.3524 172.1929 499 Q 4.5966 9.2060 117.6799 54.0756 33.0983 174.5026 500 K 5.0322 8.7335 120.8661 54.9396 34.4714 175.5187 501 I 4.4697 8.5437 126.7524 59.6927 39.3707 175.2477 502 T 4.6305 8.6067 124.5490 63.4057 69.0167 174.2943 503 L 4.7087 8.5243 126.5333 53.1281 43.6895 176.7595 504 S 4.1471 8.5173 116.9284 58.1198 62.9663 175.3736 505 S 2.0000 8.0702 121.5193 59.7521 62.9525 174.8928 506 S 4.3090 7.2441 114.6217 58.5693 63.4569 175.2385 507 S 4.3007 7.8355 119.0909 58.4685 64.6158 174.7048 508 E 3.9736 8.7134 125.5056 59.4135 29.2147 178.9173 509 E 3.9888 8.1898 119.0367 59.1862 29.7023 177.9940 510 Y 3.9486 7.9833 119.1042 60.9588 38.9941 177.8948 511 Q 4.2231 8.2975 118.9306 58.9442 28.2895 179.0736 512 K 4.0227 8.0582 119.2430 59.4307 32.1453 179.5246 513 V 3.4627 7.2583 117.1216 65.5862 31.3748 177.8954 514 W 3.8219 8.2476 128.2084 60.4479 30.4483 177.4621 515 N 4.3549 8.8944 116.9037 56.5488 37.8180 177.3318 516 L 4.0382 7.4353 118.1834 57.7089 42.0711 178.9863 517 F 3.7392 8.1131 120.3964 61.3192 39.1387 176.6966 518 N 3.8542 8.0518 115.1937 55.7710 38.5444 176.4884 519 R 3.9696 7.2616 119.3429 58.7171 30.2359 177.1632 520 T 4.3449 7.1571 104.0629 60.9045 70.4405 173.5566 521 L 3.5278 6.4129 121.7348 53.0383 42.0656 175.5009 522 P 4.1595 0.0000 0.0000 63.6479 31.8666 176.9930 523 F 4.7741 6.0009 112.7379 56.9753 38.5488 174.6286 524 Y 5.2929 7.1022 119.2473 56.9699 40.5872 174.6156 525 F 5.0073 9.1588 122.7463 56.4802 42.0399 174.1906 526 V 3.9808 8.2318 126.8321 63.0371 31.3012 175.3235 527 Q 4.6360 9.1812 127.5473 57.5470 30.2895 176.0682 528 K 4.7481 7.6668 117.6414 55.3054 36.2131 174.7767 529 I 5.0753 8.4712 125.4615 59.7587 41.0972 173.7764 530 E 5.2854 9.0424 126.8128 54.4118 32.6045 175.2577 531 R 4.5384 9.2078 125.4353 55.8533 31.4330 175.1882 532 V 4.3696 8.3407 127.7725 62.4020 32.6785 175.5664 533 Q 4.5613 9.2220 127.3325 53.9635 30.7444 173.1282 534 N 5.2025 9.2323 122.7619 51.3483 41.0653 174.6801 535 L 4.0943 8.8696 128.7210 58.1977 42.2472 178.4414 536 A 4.0600 8.1741 120.3449 55.2432 18.2502 179.4707 537 L 4.1453 8.5193 117.5923 57.3819 41.6353 179.5330 538 W 3.8022 8.3858 128.4606 60.4126 30.5845 177.9750 539 E 3.9725 8.5356 118.8734 59.4759 29.1139 179.8321 540 V 3.6771 7.6925 118.7857 64.4464 31.4170 177.9710 541 Y 4.3966 7.7215 121.9231 60.3688 38.7445 177.5867 542 Q 3.6914 8.1381 119.3846 58.4035 28.6390 178.4653 543 W 3.9653 8.4444 129.7975 60.7006 30.5010 177.8749 544 Q 3.7866 7.7648 117.5614 58.7488 28.5207 177.6228 545 K 3.8815 7.5799 120.1204 59.2428 32.5885 178.6012 546 G 3.6466 7.7322 105.8541 47.5719 0.0000 176.6660 547 Q 3.6501 7.3181 118.2409 55.9962 28.0171 178.5423 *549 Q 4.2888 8.0498 120.9922 55.9982 30.5856 177.9029 550 K 3.9792 7.7390 115.3124 58.6515 32.0967 177.7390 551 Q 4.5456 7.3925 116.1665 55.6429 29.0692 175.4330 552 N 4.6284 8.0798 115.8036 52.6234 39.2761 175.1669 553 G 3.9202 8.6497 104.2083 47.5669 0.0000 175.2445 554 G 3.9157 8.4815 107.2562 44.8316 0.0000 174.7527 555 K 4.0382 7.4973 121.0270 55.5781 32.7942 176.4729 556 A 4.0202 8.3564 128.3384 52.2785 18.9028 177.1557 557 V 3.7742 8.1161 121.9452 62.2189 32.3992 175.0534 558 D 4.4246 8.8847 128.1574 54.9379 42.1498 174.3855 559 E 5.0635 8.7384 126.4828 54.5477 32.4149 174.7805 560 R 4.6769 8.9484 124.6584 54.5246 35.0983 174.4807 561 Q 4.8031 8.5585 120.3771 54.8112 29.5956 175.0731 562 L 4.8535 8.5744 124.3871 52.6421 45.9614 176.1362 563 F 5.0604 9.2401 121.3061 57.3461 40.7431 174.6125 564 H 4.9767 9.7544 122.8547 54.2308 31.9525 172.8519 565 G 4.1176 8.8908 114.1288 46.4590 0.0000 171.2874 566 T 5.1072 8.5613 118.8840 60.0608 72.0448 173.1765 567 S 4.5483 9.0384 118.7875 58.0104 63.9468 175.6163 568 A 4.1129 8.6806 124.9107 55.3160 17.9226 180.1307 569 I 3.7284 7.6295 109.7985 63.2570 37.8886 177.2684 570 F 4.8052 7.9961 118.6324 57.9522 39.1267 177.6791 571 V 3.9373 7.7868 119.0280 66.5345 31.5471 177.7049 572 D 4.3163 8.2130 117.5842 56.9394 40.6241 178.5237 573 A 3.9791 7.9639 121.2412 55.0032 18.3831 179.5852 574 I 3.4571 7.5016 119.5377 64.2506 36.9433 178.2801 575 C 3.6148 7.5766 116.0022 62.6654 27.8555 175.6049 576 Q 4.1038 7.0795 119.1314 57.4148 29.0400 176.1526 577 Q 4.3388 7.5647 114.7916 54.4593 30.6077 174.9322 578 N 4.0224 8.3043 119.3178 52.0279 39.8654 173.2942 579 F 4.2249 7.9576 118.9398 57.6846 39.2965 175.1644 580 D 4.5598 8.3730 123.1707 52.3692 43.1229 175.8730 581 W 4.4170 8.8979 124.6810 58.5153 28.4153 177.8426 582 R 3.6430 7.4482 117.4932 57.1210 29.5272 177.3468 583 V 3.4896 6.5992 115.8904 66.2749 31.7012 176.6357 584 C 4.2627 7.8954 117.5672 59.9233 29.1656 174.8549 585 G 3.8902 7.7598 105.3857 44.1867 0.0000 172.2505 586 V 3.5727 8.2234 112.3880 61.6718 31.6993 175.0670 *589 T 3.9411 8.1277 114.0005 62.3509 67.1188 173.0827 590 S 4.6809 8.1351 122.3518 56.9799 65.6641 172.9005 591 Y 4.4438 10.1467 123.8656 57.1261 38.0674 174.6913 592 G 4.6995 7.0891 105.0820 43.4813 0.0000 175.5873 593 K 3.7975 8.6028 122.2189 54.2206 30.2839 176.0604 594 G 3.0986 6.6881 107.4323 44.6498 0.0000 169.8136 595 S 4.6916 8.5229 115.5473 58.4998 64.1246 173.4897 596 Y 4.9332 8.0385 119.7819 56.3403 40.5717 175.0211 597 F 5.1511 8.9757 119.8743 55.8949 44.3437 173.3738 598 A 5.2282 9.0797 121.7419 50.2700 21.7403 176.9843 599 R 3.9756 9.2189 123.5604 59.1969 30.9627 176.6078 600 D 4.8194 8.1151 118.6315 52.3927 42.6141 176.6961 601 A 3.1660 8.1837 126.0724 55.2677 17.7564 179.2792 602 A 3.8047 7.3687 117.6097 55.4037 18.3457 178.8214 603 Y 4.0871 7.8137 117.2692 60.5084 39.3243 177.3268 604 S 4.6766 8.2150 115.0648 60.4443 62.9459 175.7140 605 H 4.2982 8.3270 121.5894 59.8905 29.4388 176.0636 606 H 3.7447 8.2154 117.7938 59.3713 29.4328 175.4369 607 Y 4.3818 7.5812 115.8516 57.5788 39.2567 176.4945 608 S 4.9828 7.8067 115.9754 55.7147 61.9506 172.8885 609 K 4.1383 8.0809 127.1637 57.1789 32.7791 176.5271 610 S 4.5924 8.1202 116.2868 57.0270 65.4506 173.2116 611 D 4.6453 8.5278 122.8214 54.7036 41.4588 176.1022 612 T 4.7924 7.2832 109.5719 60.2196 71.3328 173.4313 613 Q 4.3781 8.4185 118.5994 56.8620 30.1068 175.2603 614 T 4.8331 7.4276 116.9170 62.6381 69.6628 174.0754 615 H 4.8979 8.8517 122.8893 54.2207 32.9399 172.4841 616 T 5.6451 8.1178 115.5214 60.7429 73.2874 172.6591 *618 F 4.9147 8.3162 119.7428 57.6423 41.0978 174.0577 619 L 4.8754 8.9553 124.7935 53.7883 43.3714 175.1130 620 A 5.2819 9.1467 128.4097 50.1717 22.7233 174.9716 621 R 4.6883 8.9698 121.0823 55.2513 31.5612 175.3677 622 V 4.7173 8.5833 126.8517 61.1342 34.4616 174.6907 623 L 4.4833 9.0034 129.0777 54.1391 40.1365 176.8363 624 V 3.7016 8.3616 117.8890 61.1168 32.2821 178.4889 625 G 3.6375 8.3608 109.1757 46.9959 0.0000 173.9251 626 E 4.6036 9.4786 123.8813 54.4323 31.3199 174.6133 627 F 6.0857 8.1856 118.0938 54.0324 41.4461 174.0713 628 V 4.3636 7.9398 118.1446 59.3974 35.3024 174.3408 629 R 4.2902 8.5026 121.9251 56.6667 30.6187 176.6205 630 G 4.3004 8.4309 113.6183 45.5443 0.0000 171.8668 631 N 4.5368 7.7224 114.5118 52.2397 41.3769 175.5032 632 A 3.9815 8.6826 128.2130 55.2946 18.6012 179.2056 633 S 4.3411 8.4463 109.5138 60.3142 63.6219 174.8598 634 F 4.5194 8.2446 122.0427 57.8353 38.9269 176.0532 635 V 4.3386 8.2577 116.9437 61.3845 32.8524 175.5407 636 R 3.8643 6.7490 116.8970 53.3703 34.0671 172.8850 637 P 4.1224 0.0000 0.0000 61.6178 32.1129 174.8604 638 P 4.5591 0.0000 0.0000 62.1734 32.9071 175.2812 639 A 3.7986 8.2590 121.7096 51.5995 19.2167 177.6204 640 K 3.9523 7.6962 122.2276 55.4507 34.0773 178.0956 641 E 4.6117 8.5998 115.6853 54.2102 29.5498 176.7653 642 G 4.5586 8.8635 115.8029 44.9813 0.0000 178.2962 643 W 3.4638 7.6582 116.9090 55.9965 31.7234 178.3883 *646 A 3.9696 8.4381 133.9815 52.8135 18.7687 176.3768 647 F 4.8687 7.9462 118.6808 55.4027 43.0701 174.3526 648 Y 4.2787 8.2117 120.4651 58.5513 38.0034 175.7980 649 D 4.9049 9.2351 120.7879 55.6259 42.2417 176.6067 650 S 4.8784 7.9502 111.3836 57.8767 66.2669 173.3662 651 C 5.5006 8.8980 117.7093 58.4256 31.9349 173.5752 652 V 4.8296 8.3652 113.3638 59.1172 35.7387 175.6204 653 N 3.1674 7.8453 117.7270 54.5389 38.2046 176.0659 654 S 4.4506 7.1255 112.4008 56.4599 65.5038 173.9701 655 V 3.9972 8.4193 121.0970 64.5201 31.7426 177.8847 656 S 4.3267 8.0079 114.8995 61.2585 63.2524 174.3807 657 D 4.7212 7.7005 118.5594 52.0858 41.4208 172.0721 658 P 4.2201 0.0000 0.0000 62.3177 32.4463 177.1477 659 S 4.6765 8.3997 114.5839 57.3526 65.7079 173.2477 660 I 4.8114 7.8651 122.1879 59.3050 40.3950 174.5232 661 F 4.9188 8.9389 124.4071 55.6096 42.6146 173.9013 662 V 4.2575 8.5040 124.3178 61.0858 33.5103 174.3414 663 I 4.6794 8.4789 128.8591 59.8255 39.2009 176.2814 664 F 4.5199 9.1509 125.1101 57.4140 40.0510 175.2696 665 E 4.7188 8.0059 122.2432 53.7259 31.6788 176.3256 666 K 4.2210 8.8157 126.1862 60.1752 33.1026 178.7903 667 H 4.4607 8.8149 116.8923 58.5983 28.9182 176.6960 668 Q 4.3664 8.2791 116.9379 56.2439 28.4500 175.4350 669 V 4.8993 8.1151 118.0204 61.0538 34.5680 173.7430 670 Y 4.7186 8.8694 128.3386 54.9129 41.1777 172.6188 671 P 4.8955 0.0000 0.0000 62.7936 31.2785 175.3351 672 E 4.2710 8.9388 123.4098 56.9169 32.2971 175.4811 673 Y 5.2949 8.3937 117.1595 56.1353 42.8316 174.5516 674 V 4.0689 8.6768 123.8130 61.4112 33.3430 174.3961 675 I 4.7636 8.2635 129.3264 59.8462 39.2480 174.2376 676 Q 5.1276 9.2605 129.7361 54.5570 31.0044 173.9336 677 Y 5.4054 8.8703 123.4960 55.7550 42.5439 173.5878 678 T 5.1247 9.4528 114.7135 60.5108 70.3545 174.0384 679 T 4.0179 8.4261 117.5129 61.8767 69.4212 174.7865 680 S 4.4544 7.8312 116.9768 57.9229 63.4070 173.7968 681 S 4.3662 8.5009 119.0165 58.4065 62.2497 173.7035 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 496 P 0.00 4.27 0.00 1.66 2.03 0.00 3.73 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 1.66 1.79 0.00 497 G 8.63 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 0.00 0.00 0.00 498 F 8.20 5.36 0.00 3.08 2.96 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 0.00 0.00 0.00 499 Q 9.21 4.60 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 500 K 8.73 5.03 0.00 1.69 1.89 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.75 7.81 501 I 8.54 4.47 1.91 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 1.25 1.16 0.94 0.00 0.00 502 T 8.61 4.63 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 1.27 0.00 0.00 503 L 8.52 4.71 0.00 1.82 1.75 1.11 0.77 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 0.00 504 S 8.52 4.15 0.00 3.81 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 0.00 505 S 8.07 2.00 0.00 3.19 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 0.00 506 S 7.24 4.31 0.00 3.86 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 0.00 507 S 7.84 4.30 0.00 4.10 3.96 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 0.00 0.00 0.00 508 E 8.71 3.97 0.00 2.05 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 2.41 2.39 0.00 509 E 8.19 3.99 0.00 2.14 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 2.47 2.51 0.00 510 Y 7.98 3.95 0.00 3.15 3.01 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 0.00 511 Q 8.30 4.22 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 512 K 8.06 4.02 0.00 1.98 1.86 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.66 7.81 513 V 7.26 3.46 1.78 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 0.74 0.00 0.00 -0.10 0.00 0.00 514 W 8.25 3.82 0.00 3.20 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 0.00 515 N 8.89 4.35 0.00 3.00 2.95 0.00 0.00 7.08 6.36 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 0.00 516 L 7.44 4.04 0.00 1.98 2.02 0.90 0.87 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 0.00 517 F 8.11 3.74 0.00 3.00 2.83 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 0.00 518 N 8.05 3.85 0.00 1.44 2.11 0.00 0.00 7.38 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 R 7.26 3.97 0.00 1.83 1.87 0.00 3.16 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 520 T 7.16 4.34 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 1.15 0.00 0.00 521 L 6.41 3.53 0.00 0.27 0.58 0.26 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 522 P 0.00 4.16 0.00 2.04 2.08 0.00 2.54 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 523 F 6.00 4.77 0.00 3.11 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 0.00 524 Y 7.10 5.29 0.00 2.96 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 0.00 525 F 9.16 5.01 0.00 3.30 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 0.00 526 V 8.23 3.98 2.13 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 0.71 0.00 0.00 0.19 0.00 0.00 527 Q 9.18 4.64 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.36 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 528 K 7.67 4.75 0.00 1.86 1.63 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.54 7.81 529 I 8.47 5.08 1.67 0.00 0.00 -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 1.04 0.48 0.74 0.00 0.00 530 E 9.04 5.29 0.00 1.94 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 2.27 2.26 0.00 531 R 9.21 4.54 0.00 2.01 1.84 0.00 3.19 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 532 V 8.34 4.37 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 0.74 0.00 0.00 0.97 0.00 0.00 533 Q 9.22 4.56 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 534 N 9.23 5.20 0.00 2.97 2.87 0.00 0.00 6.69 5.95 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 0.00 535 L 8.87 4.09 0.00 1.86 1.72 0.92 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 0.00 536 A 8.17 4.06 1.42 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 0.00 537 L 8.52 4.15 0.00 2.05 2.01 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 538 W 8.39 3.80 0.00 3.20 3.15 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 0.00 539 E 8.54 3.97 0.00 2.17 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 2.62 0.00 540 V 7.69 3.68 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 0.76 0.00 0.00 0.54 0.00 0.00 541 Y 7.72 4.40 0.00 3.12 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 0.00 542 Q 8.14 3.69 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 1.32 1.71 0.00 543 W 8.44 3.97 0.00 3.49 3.41 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 0.00 544 Q 7.76 3.79 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 545 K 7.58 3.88 0.00 1.38 1.71 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.24 7.81 546 G 7.73 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.38 7.81 556 A 8.36 4.02 1.24 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 0.00 0.00 0.00 557 V 8.12 3.77 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 0.69 0.00 0.00 0.84 0.00 0.00 558 D 8.88 4.42 0.00 2.79 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 0.00 559 E 8.74 5.06 0.00 1.93 1.76 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 2.22 2.36 0.00 560 R 8.95 4.68 0.00 1.38 1.54 0.00 2.72 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 561 Q 8.56 4.80 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 562 L 8.57 4.85 0.00 1.34 1.52 0.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 563 F 9.24 5.06 0.00 3.21 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 0.00 564 H 9.75 4.98 0.00 2.84 3.30 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 G 8.89 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 0.00 0.00 0.00 566 T 8.56 5.11 4.57 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 0.00 0.00 0.00 1.68 0.00 0.00 567 S 9.04 4.55 0.00 4.10 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 0.00 568 A 8.68 4.11 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 0.00 569 I 7.63 3.73 1.61 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 -0.22 0.79 0.00 0.00 570 F 8.00 4.81 0.00 3.40 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 0.00 571 V 7.79 3.94 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 1.07 0.00 0.00 1.09 0.00 0.00 572 D 8.21 4.32 0.00 2.83 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 0.00 573 A 7.96 3.98 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 0.00 574 I 7.50 3.46 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 -0.92 0.00 0.00 575 C 7.58 3.61 0.00 2.14 2.27 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 0.00 576 Q 7.08 4.10 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.80 0.00 577 Q 7.56 4.34 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.69 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 578 N 8.30 4.02 0.00 2.85 2.80 0.00 0.00 7.19 7.47 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 0.00 579 F 7.96 4.22 0.00 3.08 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 D 8.37 4.56 0.00 2.63 2.38 0.00 0.00 0.00 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0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 T 8.12 5.65 4.33 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 1.25 0.00 0.00 *618 F 8.32 4.91 0.00 3.55 3.40 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 0.00 619 L 8.96 4.88 0.00 1.78 1.71 -0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 620 A 9.15 5.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.97 4.69 0.00 1.93 1.63 0.00 3.24 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 622 V 8.58 4.72 1.71 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 0.70 0.00 0.00 0.13 0.00 0.00 623 L 9.00 4.48 0.00 1.40 1.49 0.21 0.69 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 0.00 624 V 8.36 3.70 2.27 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 0.25 0.00 0.00 1.10 0.00 0.00 625 G 8.36 3.64 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 0.00 626 E 9.48 4.60 0.00 1.87 1.91 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 2.17 2.27 0.00 627 F 8.19 6.09 0.00 2.85 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 0.00 628 V 7.94 4.36 0.67 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 0.50 0.00 0.00 0.69 0.00 0.00 629 R 8.50 4.29 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 630 G 8.43 4.30 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 0.00 631 N 7.72 4.54 0.00 2.00 1.42 0.00 0.00 6.78 8.30 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 0.00 632 A 8.68 3.98 1.21 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 0.00 0.00 633 S 8.45 4.34 0.00 4.05 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 0.00 634 F 8.24 4.52 0.00 3.21 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 0.00 635 V 8.26 4.34 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 0.81 0.00 0.00 0.90 0.00 0.00 636 R 6.75 3.86 0.00 1.38 1.36 0.00 2.83 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.00 637 P 0.00 4.12 0.00 2.26 2.06 0.00 3.42 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 638 P 0.00 4.56 0.00 2.08 1.83 0.00 3.66 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.87 0.00 639 A 8.26 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 K 7.70 3.95 0.00 0.79 1.04 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.29 7.81 641 E 8.60 4.61 0.00 1.99 1.82 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 2.23 1.87 0.00 642 G 8.86 4.56 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 0.00 0.00 0.00 643 W 7.66 3.46 0.00 3.09 2.56 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 *646 A 8.44 3.97 0.71 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 0.00 0.00 647 F 7.95 4.87 0.00 2.82 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 0.00 648 Y 8.21 4.28 0.00 2.89 3.05 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 0.00 649 D 9.24 4.90 0.00 2.78 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 0.00 650 S 7.95 4.88 0.00 4.14 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 0.00 651 C 8.90 5.50 0.00 3.12 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 0.00 652 V 8.37 4.83 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 -0.13 0.00 0.00 0.73 0.00 0.00 653 N 7.85 3.17 0.00 2.21 2.00 0.00 0.00 5.65 7.64 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 0.00 654 S 7.13 4.45 0.00 3.65 3.70 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 0.00 655 V 8.42 4.00 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 0.78 0.00 0.00 0.94 0.00 0.00 656 S 8.01 4.33 0.00 3.85 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 0.00 657 D 7.70 4.72 0.00 2.56 2.46 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 0.00 658 P 0.00 4.22 0.00 1.17 1.42 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 659 S 8.40 4.68 0.00 3.73 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 0.00 660 I 7.87 4.81 1.47 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.70 0.85 0.00 0.00 661 F 8.94 4.92 0.00 2.89 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 0.00 662 V 8.50 4.26 1.65 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 -0.04 0.00 0.00 -0.12 0.00 0.00 663 I 8.48 4.68 2.02 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 1.32 0.69 0.99 0.00 0.00 664 F 9.15 4.52 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 665 E 8.01 4.72 0.00 2.06 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 2.30 2.37 0.00 666 K 8.82 4.22 0.00 2.11 2.18 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.59 7.81 667 H 8.81 4.46 0.00 3.36 3.50 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 Q 8.28 4.37 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 669 V 8.12 4.90 2.30 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 0.72 0.00 0.00 0.89 0.00 0.00 670 Y 8.87 4.72 0.00 2.09 2.30 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 0.00 671 P 0.00 4.90 0.00 1.78 1.20 0.00 3.05 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 672 E 8.94 4.27 0.00 1.53 2.35 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 2.59 2.67 0.00 673 Y 8.39 5.29 0.00 2.91 2.77 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 0.00 674 V 8.68 4.07 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 0.64 0.00 0.00 0.64 0.00 0.00 675 I 8.26 4.76 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.39 0.46 0.00 0.00 676 Q 9.26 5.13 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 677 Y 8.87 5.41 0.00 3.30 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 0.00 678 T 9.45 5.12 4.33 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 1.42 0.00 0.00 679 T 8.43 4.02 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 0.30 0.00 0.00 680 S 7.83 4.45 0.00 4.04 3.79 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 0.00 681 S 8.50 4.37 0.00 3.90 3.73 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 * Residues marked with a * may have inaccurate shift predictions.