NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 E 4.6015 8.4293 120.2269 56.2149 31.0798 174.5721 504 E 4.6145 8.9450 121.9109 53.4649 32.6226 169.8869 505 V 4.2272 9.1758 123.6825 63.0320 32.1899 176.6307 506 L 4.6723 9.1034 127.3390 55.7073 43.6875 176.4673 507 F 4.8097 7.9059 118.4317 57.5069 42.6285 172.3341 508 C 5.6463 7.2818 125.6685 58.8924 34.6749 173.2232 509 E 4.6479 8.0610 119.0956 55.4117 33.4978 174.6570 510 K 4.5977 8.7101 122.7037 56.7924 33.3086 175.9890 511 A 4.9235 9.0536 127.1535 50.4806 23.2437 174.7840 512 K 4.9375 9.1798 122.4077 54.7734 34.9060 174.7859 513 L 5.2930 8.6111 128.0877 53.3511 44.7399 175.0692 514 L 5.4386 9.3353 125.4311 52.9944 46.1226 175.1211 515 I 4.5462 8.4919 121.5840 59.0867 40.7202 174.3631 516 F 4.3494 7.9159 130.7471 56.5551 40.0718 175.1572 *522 G 3.6365 8.4381 112.4603 45.6029 0.0000 170.9679 523 Y 4.7782 8.3845 117.0667 56.2716 39.9021 175.4268 524 T 4.6688 8.6450 122.0541 61.3239 71.0385 174.2051 525 S 4.5494 8.8936 120.6580 59.3433 62.6189 173.8796 526 R 4.6057 9.8822 121.7815 55.3713 32.5814 175.5085 527 G 4.3768 6.4999 104.7063 43.2953 0.0000 171.7274 528 V 4.8014 7.4297 119.5139 61.2390 34.7869 174.6214 529 G 4.0931 8.4936 114.2738 47.3018 0.0000 171.9472 530 E 4.9149 8.3135 117.6740 55.2994 31.5286 171.2531 531 L 5.0239 8.7426 127.3744 52.4771 44.2552 175.3390 532 K 5.2327 9.4890 125.7366 54.5188 36.5591 174.8132 533 L 5.0653 8.7795 125.0370 53.6298 43.8864 174.9954 534 L 5.2698 8.9918 126.9643 52.8961 45.0274 175.5880 535 R 4.9909 8.7409 122.8134 53.9623 33.3647 174.5570 536 K 4.3017 8.9029 130.1855 57.1002 32.7418 178.7042 537 K 4.0372 8.8263 128.5412 57.5713 31.8923 175.7089 538 D 4.5718 7.9483 116.0446 55.2907 41.4867 176.1456 539 D 4.3856 7.9521 120.0312 53.0629 42.3848 175.5331 540 K 3.9347 8.8349 127.6996 59.1930 32.1537 178.4869 541 G 3.6980 9.0082 106.1239 46.2457 0.0000 173.5704 542 K 4.4826 8.1658 120.7753 54.6968 33.6516 175.1606 543 V 5.0994 8.2183 124.9179 60.8499 34.9420 174.3239 544 R 5.1798 9.0451 122.9552 54.5043 33.6442 173.8209 545 V 4.5960 8.9090 120.4157 61.3133 33.5466 174.2247 546 L 5.0967 9.0541 129.7897 53.3493 45.0128 174.4116 547 C 5.5693 9.1329 128.6872 57.0967 34.5184 173.1320 548 R 4.6892 8.3571 125.8187 55.4632 31.9802 171.7177 549 S 4.3340 9.2335 121.0076 59.2669 62.2424 174.7686 *553 G 4.3251 7.7637 110.2586 43.3489 0.0000 172.0477 554 H 4.6472 7.8128 113.9638 54.0274 30.5118 174.6391 555 V 4.0979 8.1347 121.0565 63.1977 31.0594 175.6345 556 L 4.3194 9.3700 130.1744 56.7463 42.7277 177.4945 557 L 4.3447 7.4663 120.1448 53.6945 45.5970 174.6420 558 N 5.4161 8.6688 124.6304 52.2286 40.0365 172.7730 559 T 4.8676 8.7689 113.8789 59.2892 72.9760 173.7612 560 S 4.7843 8.7179 119.0119 58.5133 63.8391 174.1952 561 V 3.8955 8.7357 124.7071 62.9490 31.8293 175.5334 562 V 4.2586 8.9134 130.5327 61.5831 32.9246 176.6410 563 K 4.1291 8.5621 128.2535 57.5785 31.7020 176.6858 564 S 4.3959 7.6531 110.6929 58.4777 63.4767 173.6242 565 F 4.9852 7.4352 119.5548 55.7911 40.9253 174.7995 566 K 4.2538 8.1586 122.9649 55.0953 33.3964 175.7107 567 Y 4.5133 8.2779 121.2145 56.4478 39.3081 174.7108 568 Q 4.6730 8.2566 122.2054 53.7685 32.8371 172.4442 569 P 4.9053 0.0000 0.0000 62.4302 31.4601 177.1382 570 I 3.7273 8.4714 116.8141 64.0151 37.7734 175.2187 571 D 4.4025 7.3839 117.9605 52.4557 41.3531 175.9166 572 A 4.0616 8.6259 121.3981 54.7174 18.4039 177.9775 573 D 4.8471 7.9813 113.7834 54.3379 41.5748 176.7056 574 N 5.0610 8.0889 118.5539 53.0499 39.6876 176.6432 575 E 4.1172 8.1514 115.2230 58.2746 30.6087 179.6714 576 N 4.8450 8.1451 113.1916 53.9268 39.0846 174.4388 577 L 5.0287 8.1057 121.1770 53.4652 44.0765 175.2325 578 I 4.7688 8.7526 128.8000 60.2053 38.7206 176.1759 579 K 4.6177 8.9772 131.7086 54.8937 32.9946 172.6183 580 W 5.0630 9.7327 135.0000 53.4963 31.1716 172.3020 581 P 5.0388 0.0000 0.0000 62.1651 32.0201 175.9780 582 I 5.0855 9.3435 114.4945 59.5473 41.5668 174.0110 583 I 4.8469 8.7568 124.7355 60.1564 38.4957 175.6519 584 T 4.3384 8.4410 113.4336 61.9311 70.8265 173.8932 *588 L 4.2941 7.7719 122.4726 54.6510 42.8440 174.8760 589 E 4.9023 9.4676 126.7807 54.6486 33.5919 174.3253 590 T 4.9647 8.4922 120.8188 61.9178 71.6791 172.9865 591 F 5.3680 9.4420 124.9426 55.9140 42.4531 174.5211 592 I 4.9438 9.1084 122.5523 59.8403 39.6913 174.7438 593 I 4.6793 8.9705 128.4458 59.8095 38.8565 174.5933 594 K 4.7839 9.2497 130.3933 55.2757 32.6438 175.9420 595 V 4.7258 8.7477 123.0055 59.7191 34.8940 177.7910 596 K 4.2439 8.7880 123.2174 57.4683 31.9501 177.8168 597 Q 4.7196 7.7907 120.7539 53.6743 33.5431 175.9570 598 K 3.8805 8.8717 129.7293 60.2401 31.5118 179.6418 599 A 4.2161 7.9596 121.1078 55.2113 18.4203 179.3163 600 D 4.5329 8.2220 117.1053 57.3576 40.9294 179.0406 601 G 4.0532 8.0828 107.5310 47.4267 0.0000 175.6701 602 R 3.9333 8.3138 122.0139 59.0636 29.9818 178.5947 603 R 3.9826 8.4519 118.8003 59.0518 30.0312 178.1049 604 L 3.2197 8.5500 120.7359 58.0023 41.9345 179.2724 605 V 3.6857 8.0243 118.2635 65.8314 31.5019 178.2155 606 G 3.5866 8.3412 105.4017 47.7576 0.0000 175.5293 607 A 4.0302 8.2871 123.8496 54.9074 18.3598 179.9540 608 V 3.5469 8.0239 116.7157 65.8343 31.4801 178.1891 609 A 4.0329 8.4422 123.2941 55.8722 18.0750 179.6741 610 D 4.3618 8.3824 118.4291 58.6744 39.9461 180.2743 611 A 4.3622 8.3992 122.6315 55.3408 18.2104 179.8507 612 Q 3.9518 8.2038 115.3325 58.9432 28.7880 178.1673 613 Q 4.0635 8.2587 120.1956 59.2499 29.0548 177.1192 614 A 4.3464 7.6153 124.6847 52.3023 18.9431 176.7916 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 503 E 8.43 4.60 0.00 1.98 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 2.36 2.31 0.00 504 E 8.94 4.61 0.00 2.01 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 0.00 2.36 2.33 0.00 505 V 9.18 4.23 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 0.85 0.00 0.00 0.93 0.00 0.00 506 L 9.10 4.67 0.00 1.68 1.75 0.95 0.87 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 0.00 507 F 7.91 4.81 0.00 3.13 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 0.00 508 C 7.28 5.65 0.00 2.86 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 0.00 509 E 8.06 4.65 0.00 1.63 1.72 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 2.13 1.78 0.00 510 K 8.71 4.60 0.00 1.71 1.71 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.50 7.81 511 A 9.05 4.92 1.19 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 0.00 0.00 0.00 512 K 9.18 4.94 0.00 1.82 1.67 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.53 7.81 513 L 8.61 5.29 0.00 1.83 1.58 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 514 L 9.34 5.44 0.00 1.70 1.64 0.92 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 0.00 515 I 8.49 4.55 1.40 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.76 0.84 0.00 0.00 516 F 7.92 4.35 0.00 2.66 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 *522 G 8.44 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 0.00 523 Y 8.38 4.78 0.00 3.03 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 0.00 524 T 8.65 4.67 4.21 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 1.20 0.00 0.00 525 S 8.89 4.55 0.00 3.91 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 0.00 526 R 9.88 4.61 0.00 1.98 2.02 0.00 3.48 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 527 G 6.50 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 0.00 0.00 0.00 0.00 528 V 7.43 4.80 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 1.01 0.00 0.00 0.94 0.00 0.00 529 G 8.49 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 0.00 0.00 0.00 530 E 8.31 4.91 0.00 1.67 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 2.26 1.86 0.00 531 L 8.74 5.02 0.00 1.71 1.63 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 532 K 9.49 5.23 0.00 1.64 1.65 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.32 7.81 533 L 8.78 5.07 0.00 1.81 1.62 0.86 0.45 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 0.00 534 L 8.99 5.27 0.00 1.58 1.52 0.97 0.44 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 0.00 535 R 8.74 4.99 0.00 1.85 1.73 0.00 3.11 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 536 K 8.90 4.30 0.00 1.90 1.67 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.40 7.81 537 K 8.83 4.04 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 538 D 7.95 4.57 0.00 2.66 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 0.00 539 D 7.95 4.39 0.00 2.59 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 0.00 540 K 8.83 3.93 0.00 1.79 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 541 G 9.01 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 0.00 0.00 0.00 542 K 8.17 4.48 0.00 1.72 1.77 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 543 V 8.22 5.10 2.10 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 1.11 0.00 0.00 0.94 0.00 0.00 544 R 9.05 5.18 0.00 1.99 1.97 0.00 3.00 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 545 V 8.91 4.60 1.80 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 0.40 0.00 0.00 0.69 0.00 0.00 546 L 9.05 5.10 0.00 1.67 1.41 0.88 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 0.00 547 C 9.13 5.57 0.00 2.82 2.57 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 0.00 548 R 8.36 4.69 0.00 1.50 1.75 0.00 3.32 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 549 S 9.23 4.33 0.00 3.76 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 *553 G 7.76 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 0.00 0.00 0.00 0.00 554 H 7.81 4.65 0.00 3.32 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 V 8.13 4.10 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 0.81 0.00 0.00 0.92 0.00 0.00 556 L 9.37 4.32 0.00 1.39 1.68 0.87 0.70 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 0.00 557 L 7.47 4.34 0.00 1.37 1.17 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 558 N 8.67 5.42 0.00 2.65 2.63 0.00 0.00 6.90 7.70 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 0.00 559 T 8.77 4.87 4.40 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 1.28 0.00 0.00 560 S 8.72 4.78 0.00 3.85 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 0.00 561 V 8.74 3.90 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 0.67 0.00 0.00 0.94 0.00 0.00 562 V 8.91 4.26 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 0.03 0.00 0.00 0.97 0.00 0.00 563 K 8.56 4.13 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 564 S 7.65 4.40 0.00 3.77 3.80 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 0.00 565 F 7.44 4.99 0.00 2.24 1.93 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 0.00 566 K 8.16 4.25 0.00 1.59 1.63 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 567 Y 8.28 4.51 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 0.00 568 Q 8.26 4.67 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 569 P 0.00 4.91 0.00 2.07 2.19 0.00 3.69 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 2.04 2.11 0.00 570 I 8.47 3.73 1.84 0.00 0.00 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 1.47 0.50 0.86 0.00 0.00 571 D 7.38 4.40 0.00 2.86 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 0.00 572 A 8.63 4.06 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 0.00 573 D 7.98 4.85 0.00 2.69 2.69 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 0.00 0.00 0.00 574 N 8.09 5.06 0.00 2.77 2.69 0.00 0.00 7.13 8.13 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 0.00 575 E 8.15 4.12 0.00 1.89 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 2.31 1.87 0.00 576 N 8.15 4.84 0.00 3.02 3.01 0.00 0.00 6.10 6.67 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 0.00 577 L 8.11 5.03 0.00 1.58 1.59 0.91 0.60 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 0.00 578 I 8.75 4.77 2.05 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 1.15 0.99 1.23 0.00 0.00 579 K 8.98 4.62 0.00 1.45 1.70 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.26 7.81 580 W 9.73 5.06 0.00 3.57 3.11 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 0.00 0.00 0.00 0.00 581 P 0.00 5.04 0.00 0.49 1.43 0.00 2.70 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.53 0.00 582 I 9.34 5.09 2.11 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 1.68 1.18 1.33 0.00 0.00 583 I 8.76 4.85 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.92 0.98 0.00 0.00 584 T 8.44 4.34 4.32 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 1.34 0.00 0.00 *588 L 7.77 4.29 0.00 1.71 1.73 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 589 E 9.47 4.90 0.00 2.11 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 2.22 2.24 0.00 590 T 8.49 4.96 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 0.00 591 F 9.44 5.37 0.00 3.35 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 0.00 592 I 9.11 4.94 1.77 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 1.04 0.26 0.87 0.00 0.00 593 I 8.97 4.68 1.90 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 1.19 0.66 0.85 0.00 0.00 594 K 9.25 4.78 0.00 1.78 1.77 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 595 V 8.75 4.73 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 0.83 0.00 0.00 1.15 0.00 0.00 596 K 8.79 4.24 0.00 1.77 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.01 7.81 597 Q 7.79 4.72 0.00 2.26 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 598 K 8.87 3.88 0.00 1.80 1.83 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 599 A 7.96 4.22 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 0.00 600 D 8.22 4.53 0.00 2.91 2.89 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 0.00 601 G 8.08 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 0.00 602 R 8.31 3.93 0.00 2.08 2.09 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 603 R 8.45 3.98 0.00 2.09 2.27 0.00 3.22 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 604 L 8.55 3.22 0.00 1.33 1.71 0.08 0.71 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 0.00 605 V 8.02 3.69 2.20 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 1.06 0.00 0.00 1.01 0.00 0.00 606 G 8.34 3.59 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 0.00 0.00 0.00 607 A 8.29 4.03 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 0.00 608 V 8.02 3.55 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 0.76 0.00 0.00 1.01 0.00 0.00 609 A 8.44 4.03 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 0.00 610 D 8.38 4.36 0.00 2.73 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 0.00 611 A 8.40 4.36 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 0.00 612 Q 8.20 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 613 Q 8.26 4.06 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 614 A 7.62 4.35 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 * Residues marked with a * may have inaccurate shift predictions.