NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 517 K 4.2750 8.1727 121.7913 56.4687 34.3512 177.7614 518 L 3.8693 7.7418 119.6706 57.3391 41.7992 177.0630 519 L 4.2345 8.7039 119.7827 57.0166 42.1661 178.7375 520 K 4.0549 7.8467 118.3462 59.4789 32.1657 178.9268 521 D 4.4026 8.3159 119.2313 57.2270 40.5825 178.7317 522 L 4.1373 7.9368 119.2389 57.8094 41.6531 179.1904 523 E 4.0390 8.0762 118.9681 59.4693 29.5270 178.5205 524 D 4.3201 8.2513 118.8745 57.2958 40.7757 178.4468 525 K 3.7657 8.2763 120.1900 60.1010 32.0592 178.2778 526 Y 3.8629 8.0348 116.7364 60.7199 37.6510 177.9970 527 R 3.7156 8.1911 119.2125 59.3872 30.2732 178.4609 528 V 3.6057 8.3429 117.9259 66.1437 31.6908 177.9301 529 S 3.9174 7.7838 114.8361 58.0807 62.6753 176.8131 530 R 3.5198 8.1854 118.3663 57.2889 29.0935 177.2893 531 W 3.6530 8.3272 125.7772 58.2365 29.1215 176.3305 532 Q 3.2542 6.8055 116.8702 53.1948 28.6958 173.0933 533 P 4.0626 0.0000 0.0000 61.3242 32.7130 175.4986 534 P 4.3956 0.0000 0.0000 62.4378 32.2481 176.6066 535 S 4.7750 8.6105 114.5361 57.6188 64.4811 175.0179 536 F 4.5776 8.9240 125.7444 61.3925 38.7395 177.2616 537 K 3.8514 8.0099 116.4707 59.4809 32.0685 178.4392 538 E 4.1275 8.2521 116.9428 59.9114 29.4950 179.6352 539 V 3.7970 7.7705 110.5135 63.0858 32.0326 177.1525 540 A 4.0084 7.4749 121.0321 52.0877 19.2227 176.7012 *551 E 4.4538 8.6867 120.9540 56.3265 31.5555 177.7042 552 E 3.9994 8.5469 117.2380 59.3022 29.9774 178.3817 553 L 4.2594 7.9060 118.1689 57.6502 42.0359 178.7318 554 L 3.9503 8.1118 118.4337 58.5069 41.6100 178.9138 555 H 4.0374 8.1919 117.5315 59.4849 29.4948 176.5560 556 Y 3.9760 8.0166 121.1389 60.8114 38.7387 178.0638 557 L 3.7061 7.9134 119.3590 57.5061 41.5764 179.5544 558 V 3.9948 7.7455 119.8590 65.4661 31.2995 177.8732 559 R 3.9827 7.6564 116.1279 57.9691 30.0315 176.9817 560 E 4.2842 7.3263 116.4652 55.9114 30.1239 176.7287 561 G 3.8626 7.6150 107.4678 45.3696 0.0000 175.0790 562 V 3.5689 7.8249 120.4872 65.1643 32.0123 175.4619 563 L 5.2849 7.3672 117.2906 52.8809 46.0441 175.4481 564 V 4.5223 8.1814 119.0710 61.2922 35.1471 173.5531 565 K 4.5579 8.4827 129.6968 56.6687 32.0969 176.3091 566 I 3.5588 8.6982 128.2410 62.9922 37.0738 174.7643 567 N 4.7381 7.4317 115.8059 52.2319 39.9637 174.6863 568 D 4.4760 8.5859 117.2361 57.1967 40.4866 177.1573 569 E 3.8852 6.9482 120.6873 56.9751 28.9503 176.3016 570 F 5.1153 7.7419 112.3101 55.4460 41.6175 173.7642 571 Y 5.5023 8.7389 118.6447 56.6534 40.5754 174.9109 572 W 5.1251 8.9289 120.0220 55.0545 33.0172 174.9547 573 H 4.5851 8.9780 122.5542 56.1215 30.2677 176.3377 574 R 3.9476 8.7300 124.9324 59.5037 30.0114 179.1740 575 Q 4.0306 8.0060 117.3512 58.8914 28.7438 178.2592 576 A 4.9295 8.1986 122.6801 54.8903 18.5435 179.2939 577 L 4.3745 8.8562 119.3993 58.7456 42.0993 178.5172 578 G 3.7177 8.6762 106.6314 47.9153 0.0000 174.7795 579 E 4.2911 8.8485 119.1844 57.4020 30.0564 178.9991 580 A 3.2554 8.0714 122.7337 54.8777 18.4287 179.5255 581 R 3.7346 7.8764 117.3750 59.2638 30.0994 178.3347 582 E 3.9929 8.1135 119.4032 59.0417 29.3389 179.0387 583 V 3.5529 7.6498 118.2559 65.9031 31.5965 178.1312 584 I 3.4339 7.4777 119.1441 64.0986 36.6778 178.3264 585 K 3.9391 8.3131 120.5651 59.5270 31.8919 178.2114 586 N 4.4110 7.8941 116.7701 54.8541 38.9812 176.3654 587 L 4.0631 7.3376 121.6588 58.0427 42.2403 178.0187 588 A 4.9410 7.4663 118.5215 53.0894 17.9507 178.9414 589 S 4.2276 7.5832 115.2419 61.0334 63.0054 175.3082 590 T 4.0580 7.5721 115.2826 61.9750 67.7958 174.0607 591 G 3.8094 8.0806 107.2651 43.1984 0.0000 170.8456 592 P 5.3657 0.0000 0.0000 62.8346 32.0253 175.7737 593 F 4.8648 7.3684 110.0753 57.3686 40.6741 174.3880 594 G 3.8777 8.5513 110.0729 44.9311 0.0000 174.0265 595 L 4.1510 8.7034 119.8521 58.1386 41.7930 178.3617 596 A 4.0513 8.1495 120.1011 55.6346 17.9335 179.1803 597 E 3.9433 8.3736 115.9134 59.4950 29.5226 179.3343 598 A 3.9176 8.0618 120.2752 55.2983 18.5379 179.5155 599 R 3.9353 8.1574 117.0969 59.7561 29.8243 178.4505 600 D 4.3639 7.7363 117.6113 57.4044 40.9576 178.2697 601 A 4.1426 7.5014 119.7827 54.8791 17.3117 178.9794 602 L 4.3743 8.0345 115.6353 54.2567 41.8228 177.6454 603 G 4.1371 7.8917 106.6474 46.7629 0.0000 174.9032 604 S 4.9031 7.1551 116.4771 57.8275 61.9442 176.3029 605 S 4.7789 8.6248 122.4127 56.9655 66.8346 174.7408 606 R 3.9359 8.9481 122.7703 59.6019 29.5036 178.9164 607 K 3.8708 8.1022 118.0826 60.0304 32.1692 177.9006 608 Y 4.4831 7.7867 116.4608 60.6982 37.9688 178.1791 609 V 3.8648 8.4591 119.5878 65.5031 31.5753 178.0103 610 L 4.0148 8.1007 120.3984 57.6308 41.9319 177.1171 611 P 4.3015 0.0000 0.0000 65.4173 31.4870 178.0830 612 L 3.7212 7.7807 118.6646 58.4328 41.7079 179.1924 613 L 4.1331 8.0331 118.5695 57.6946 41.5581 179.1998 614 E 4.8076 8.1776 120.8983 58.7903 29.6040 178.0958 615 Y 4.1249 8.2991 119.9664 60.6427 38.7232 178.0667 616 L 3.9542 8.0031 119.7681 57.5821 41.7451 179.1151 617 D 4.6011 7.7044 120.2808 57.0883 40.7003 177.8024 618 Q 3.9821 7.8397 120.1706 58.8348 28.8386 177.8373 619 V 3.5870 7.3483 112.2501 61.7046 31.5921 176.6661 620 K 3.9091 7.7552 116.9488 57.3446 29.7686 177.0805 621 F 4.4676 8.5056 124.8822 60.8084 39.4149 174.6290 622 T 5.1147 7.3408 108.0715 62.3638 70.9283 172.3328 623 R 4.3779 8.1558 115.1274 57.3143 34.6652 174.5021 *628 K 4.4642 7.5778 115.4093 55.8704 35.2411 178.7456 629 R 5.0037 7.9582 126.4295 55.9304 34.7050 172.7281 630 V 4.5205 7.7974 120.0238 61.2714 35.5845 174.1824 631 V 3.7596 8.3961 127.1106 62.1404 31.7523 176.2437 632 V 3.8312 7.5776 119.7445 61.5290 31.4979 176.2927 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 517 K 8.17 4.28 0.00 1.86 1.87 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.51 7.81 518 L 7.74 3.87 0.00 1.90 1.67 0.97 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 519 L 8.70 4.23 0.00 1.79 1.80 0.91 0.89 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 0.00 520 K 7.85 4.05 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.49 7.81 521 D 8.32 4.40 0.00 2.81 2.75 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 0.00 522 L 7.94 4.14 0.00 2.00 1.87 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 523 E 8.08 4.04 0.00 2.19 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 2.38 2.46 0.00 524 D 8.25 4.32 0.00 2.92 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 0.00 525 K 8.28 3.77 0.00 1.97 2.12 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.29 7.81 526 Y 8.03 3.86 0.00 3.23 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 0.00 527 R 8.19 3.72 0.00 1.46 2.07 0.00 3.19 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 528 V 8.34 3.61 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 0.79 0.00 0.00 0.90 0.00 0.00 529 S 7.78 3.92 0.00 3.71 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 0.00 530 R 8.19 3.52 0.00 1.52 0.66 0.00 2.64 0.00 0.00 2.82 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 531 W 8.33 3.65 0.00 3.27 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 0.00 532 Q 6.81 3.25 0.00 1.37 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 1.33 1.87 0.00 533 P 0.00 4.06 0.00 2.13 1.59 0.00 3.02 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.00 534 P 0.00 4.40 0.00 2.09 1.93 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 535 S 8.61 4.77 0.00 4.15 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 0.00 536 F 8.92 4.58 0.00 3.11 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 0.00 537 K 8.01 3.85 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.49 7.81 538 E 8.25 4.13 0.00 2.11 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 2.35 2.48 0.00 539 V 7.77 3.80 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 0.74 0.00 0.00 1.35 0.00 0.00 540 A 7.47 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *551 E 8.69 4.45 0.00 2.38 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 2.38 2.46 0.00 552 E 8.55 4.00 0.00 2.05 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 2.32 2.50 0.00 553 L 7.91 4.26 0.00 1.85 1.78 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 554 L 8.11 3.95 0.00 1.79 1.81 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 555 H 8.19 4.04 0.00 3.29 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 Y 8.02 3.98 0.00 3.09 3.24 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 0.00 557 L 7.91 3.71 0.00 1.73 1.58 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 558 V 7.75 3.99 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 1.21 0.00 0.00 0.55 0.00 0.00 559 R 7.66 3.98 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 560 E 7.33 4.28 0.00 1.71 1.70 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 1.55 1.47 0.00 561 G 7.62 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 0.00 562 V 7.82 3.57 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 0.98 0.00 0.00 0.85 0.00 0.00 563 L 7.37 5.28 0.00 1.34 1.29 0.41 0.60 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 0.00 564 V 8.18 4.52 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 0.78 0.00 0.00 0.89 0.00 0.00 565 K 8.48 4.56 0.00 1.46 1.63 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 2.05 7.81 566 I 8.70 3.56 2.02 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.36 0.94 0.00 0.00 567 N 7.43 4.74 0.00 2.96 2.92 0.00 0.00 6.99 7.95 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 0.00 568 D 8.59 4.48 0.00 2.65 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 0.00 569 E 6.95 3.89 0.00 1.29 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 0.00 0.00 0.00 2.09 1.98 0.00 570 F 7.74 5.12 0.00 3.32 3.32 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 0.00 571 Y 8.74 5.50 0.00 2.88 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 0.00 572 W 8.93 5.13 0.00 3.21 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 0.00 573 H 8.98 4.59 0.00 3.38 3.29 0.00 5.87 0.00 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 0.00 574 R 8.73 3.95 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 575 Q 8.01 4.03 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 576 A 8.20 4.93 1.56 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 0.00 577 L 8.86 4.37 0.00 2.09 2.05 0.65 0.92 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 0.00 578 G 8.68 3.72 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 0.00 0.00 0.00 579 E 8.85 4.29 0.00 2.40 2.37 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 3.09 2.79 0.00 580 A 8.07 3.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 R 7.88 3.73 0.00 1.45 2.02 0.00 2.76 0.00 0.00 2.64 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 582 E 8.11 3.99 0.00 2.13 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 2.34 2.35 0.00 583 V 7.65 3.55 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 0.81 0.00 0.00 0.99 0.00 0.00 584 I 7.48 3.43 2.20 0.00 0.00 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 1.54 1.01 0.89 0.00 0.00 585 K 8.31 3.94 0.00 2.16 2.06 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.47 1.47 7.81 586 N 7.89 4.41 0.00 2.91 2.80 0.00 0.00 7.09 7.79 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 0.00 587 L 7.34 4.06 0.00 1.67 1.52 0.84 0.36 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 0.00 588 A 7.47 4.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.23 0.00 3.92 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 0.00 590 T 7.57 4.06 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 1.30 0.00 0.00 591 G 8.08 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 0.00 0.00 0.00 592 P 0.00 5.37 0.00 1.93 1.98 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 593 F 7.37 4.86 0.00 3.08 3.09 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 0.00 594 G 8.55 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 0.00 0.00 0.00 595 L 8.70 4.15 0.00 1.81 1.73 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 596 A 8.15 4.05 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 0.00 597 E 8.37 3.94 0.00 2.32 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 0.00 2.46 2.47 0.00 598 A 8.06 3.92 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.94 0.00 1.99 2.21 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 600 D 7.74 4.36 0.00 2.81 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 0.00 601 A 7.50 4.14 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 0.00 602 L 8.03 4.37 0.00 1.71 1.77 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 603 G 7.89 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 604 S 7.16 4.90 0.00 3.98 3.51 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 0.00 605 S 8.62 4.78 0.00 4.11 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 0.00 606 R 8.95 3.94 0.00 1.93 2.13 0.00 3.18 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 607 K 8.10 3.87 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.16 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.10 1.44 7.81 608 Y 7.79 4.48 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 V 8.46 3.86 2.22 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 1.11 0.00 0.00 1.14 0.00 0.00 610 L 8.10 4.01 0.00 2.06 1.73 0.97 1.00 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 0.00 611 P 0.00 4.30 0.00 2.58 2.23 0.00 4.03 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.25 0.00 612 L 7.78 3.72 0.00 1.51 1.87 -0.04 0.46 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 0.00 613 L 8.03 4.13 0.00 2.01 1.79 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 614 E 8.18 4.81 0.00 2.29 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 2.33 2.24 0.00 615 Y 8.30 4.12 0.00 3.05 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 0.00 616 L 8.00 3.95 0.00 2.05 1.98 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 617 D 7.70 4.60 0.00 2.78 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 0.00 618 Q 7.84 3.98 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 619 V 7.35 3.59 1.89 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 0.22 0.00 0.00 0.62 0.00 0.00 620 K 7.76 3.91 0.00 1.92 1.92 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 621 F 8.51 4.47 0.00 2.97 3.14 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 0.00 0.00 0.00 622 T 7.34 5.11 4.22 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 0.00 0.00 0.00 1.02 0.00 0.00 623 R 8.16 4.38 0.00 1.89 2.07 0.00 2.94 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 *628 K 7.58 4.46 0.00 1.53 0.97 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.43 7.81 629 R 7.96 5.00 0.00 0.67 0.99 0.00 3.16 0.00 0.00 3.12 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.00 630 V 7.80 4.52 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 0.90 0.00 0.00 0.85 0.00 0.00 631 V 8.40 3.76 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 0.49 0.00 0.00 0.74 0.00 0.00 632 V 7.58 3.83 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 0.62 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.