NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 540 N 4.5624 8.2785 118.2180 51.8930 38.9973 173.9674 541 A 3.4789 8.0154 118.9045 52.1903 15.7647 176.0994 542 Q 4.5879 7.2971 117.1017 55.0412 32.2703 172.8837 543 V 3.9122 8.1376 118.0639 63.3678 32.0534 175.0193 544 E 4.4403 8.7720 127.4627 55.4843 31.3649 175.3412 545 V 4.7337 8.4236 124.2394 61.4363 33.8691 174.1219 546 I 4.8850 8.8721 130.1201 59.7953 39.6355 176.1067 547 V 4.8891 8.4009 128.0519 61.1065 34.1061 174.1919 *550 H 4.5124 8.5354 117.5317 56.6723 29.4718 172.8001 551 G 3.9212 8.7112 107.7360 44.4791 0.0000 174.2080 552 R 4.1103 8.4096 117.4635 59.0411 30.3285 178.6264 553 S 4.7507 7.6758 109.2402 59.1959 63.9776 177.2073 554 T 3.7745 8.4210 118.8524 67.4845 68.4168 175.5302 555 A 4.1308 8.1823 122.0505 55.7615 18.7194 178.5888 556 T 3.9746 8.3552 112.5910 67.1887 68.8939 177.7681 557 S 4.2204 8.2700 114.3059 58.9979 62.6242 176.2951 *559 V 4.0314 7.9760 119.4599 62.4821 33.0481 177.3559 560 E 3.9931 8.3587 119.3038 59.4994 29.0942 179.5197 561 T 3.8766 7.8621 115.8468 66.6520 68.4803 176.9407 562 V 3.6800 7.6910 119.6948 65.8700 31.7101 177.9723 563 Q 3.9742 8.3404 118.1990 58.9706 28.3503 178.3805 564 E 3.9886 8.0482 119.2312 59.0705 29.7274 178.3901 565 L 4.1440 8.2133 118.8330 57.2007 41.8263 178.5527 566 L 4.4372 7.9539 115.6020 53.1938 42.9926 176.3991 567 S 3.7113 7.5770 113.3048 59.5894 62.3549 171.2248 568 I 4.6056 7.3643 110.6650 60.1677 40.5222 175.2749 569 E 4.5505 8.6221 118.2857 56.0527 30.3984 176.3872 570 S 4.4815 7.8687 114.5227 57.2211 65.2364 172.6151 571 G 4.0881 8.8999 109.2333 46.0537 0.0000 172.8062 572 I 4.6539 8.4917 122.6240 59.2072 40.9169 174.1545 573 A 4.7830 8.7018 128.5910 50.5871 20.2391 176.0621 574 L 4.5932 8.7495 123.3488 53.4362 43.7583 176.2302 575 D 4.7075 8.4365 127.3816 52.5146 43.0083 173.3434 *577 P 4.2574 0.0000 0.0000 63.1896 32.3625 177.2416 578 L 4.0850 8.3657 117.7230 57.7775 41.5013 178.6753 579 T 4.1177 7.8954 106.4621 62.3577 69.1441 174.0973 580 V 4.3575 7.3322 122.9424 60.9915 33.5973 175.0829 581 E 4.2770 8.5456 126.3294 55.7977 30.4095 177.5960 582 V 3.7611 8.7190 122.3109 66.2595 31.8184 177.4435 583 K 4.0939 8.2987 119.8309 59.4670 32.4916 178.6474 584 A 4.3570 7.8992 120.7902 52.5056 18.0223 178.6368 *586 Y 3.9560 8.0590 122.3485 59.0489 40.6473 176.5884 587 E 3.7987 8.3042 119.5167 59.4778 29.5893 179.4696 588 K 4.0054 7.8933 117.4251 58.8243 32.9893 178.8051 589 L 3.8176 7.6825 121.6821 57.7975 42.1752 178.1220 590 K 3.5198 7.6014 119.8006 59.7406 32.0239 178.2854 591 Q 3.8604 8.1639 119.4993 59.4306 29.0564 177.8176 592 T 3.8449 8.3016 117.1833 66.9162 68.2964 176.6045 593 V 3.5284 8.0108 118.7028 65.8038 31.8491 177.6029 594 V 3.7193 7.6976 118.0810 66.4076 31.0679 178.2680 595 K 4.0276 7.8355 116.1370 59.3029 31.9046 179.0559 596 L 4.0375 7.6831 118.2078 55.0130 42.2941 176.1831 597 N 4.0944 7.9459 116.0414 53.6024 37.4356 172.9730 598 P 4.3121 0.0000 0.0000 63.2939 31.8591 176.7956 599 V 4.0959 8.3476 115.9805 61.8364 32.1485 176.4387 600 K 4.5121 7.6686 118.8269 55.8375 33.4175 177.2885 601 G 4.0826 8.4867 103.3581 45.4570 0.0000 172.9477 602 V 4.7602 8.4711 118.1113 60.7331 35.0061 173.8546 603 L 5.1382 9.5112 130.7570 53.5356 44.2680 174.8158 604 I 4.8246 8.7158 128.2776 60.1314 39.2250 174.7559 605 L 5.2234 9.2109 128.1542 53.1513 43.5606 175.8435 606 S 5.0005 9.1451 118.4670 56.9725 66.7121 174.6954 607 D 4.2630 8.9253 119.5696 55.4757 40.6618 176.8819 *609 G 3.8663 7.4517 109.0445 44.6595 0.0000 173.0581 610 S 4.1942 8.5021 113.8490 61.2068 63.2477 176.5249 611 L 2.7956 7.6038 120.6125 57.3905 40.9862 179.1070 612 T 3.9057 7.6913 109.2993 64.0155 68.8351 175.4448 613 S 4.6695 8.1757 115.4103 58.1720 63.8044 175.6793 614 F 4.5460 8.1554 122.9571 61.1610 38.7863 177.2630 615 G 4.0056 8.3727 105.7872 47.4621 0.0000 174.9885 616 N 4.3640 8.2484 118.8598 55.8550 38.6381 177.4638 617 I 3.6625 7.6879 120.5233 64.2357 37.1898 178.2180 618 L 4.4982 8.4487 122.8908 57.9808 41.8591 178.9987 619 T 4.0772 7.8124 116.7950 66.0589 68.2273 175.7836 620 E 3.9610 7.8769 119.6069 59.6704 29.6892 178.3760 621 E 4.1922 8.6161 118.1530 58.2481 29.8154 177.0113 622 L 4.6682 8.0077 115.1971 54.4117 41.5715 176.1345 623 G 3.8278 8.8745 107.2677 47.3080 0.0000 173.7739 624 I 4.4163 7.5104 119.2793 58.7928 39.7266 174.9469 625 R 4.3700 8.4517 125.7274 56.2695 30.9261 175.1037 626 T 5.7955 8.0442 115.5947 58.9043 72.1121 173.2420 627 K 4.7300 8.5137 120.4062 54.9962 37.2743 175.0427 628 T 5.1270 8.4177 117.8333 61.9635 71.7700 173.0816 629 V 4.4895 8.8540 126.6635 61.5109 34.0426 174.7425 630 T 5.1371 8.1084 117.3051 58.7272 68.0553 172.4348 *632 V 4.1308 7.7854 127.5214 63.6793 33.0111 173.9336 633 S 4.7893 8.3493 119.6280 55.7626 66.0443 174.4370 634 T 3.8807 8.7493 121.3111 66.5177 68.0990 174.5912 635 P 4.1737 0.0000 0.0000 66.2889 30.9819 178.7357 636 V 3.6909 7.7870 111.9079 63.9072 31.2883 178.6003 637 V 3.7133 7.7599 116.8615 65.9720 31.3629 177.3658 638 L 4.0228 7.8932 119.6107 57.8678 42.2703 177.8981 639 E 4.0562 8.6815 119.2229 59.5293 29.6587 178.8797 640 A 3.9553 8.2298 119.1684 53.5861 19.1980 178.7990 *642 R 4.1658 7.8440 119.7942 57.3484 32.0217 178.0128 643 K 3.9985 8.1894 116.8496 59.2775 32.6108 179.5047 644 A 4.0055 8.0699 121.6280 55.0820 18.5321 179.4214 645 S 4.3230 8.0468 108.6516 60.8338 62.4171 175.1191 646 L 4.0954 7.6308 117.7511 55.4464 41.4779 177.6035 647 G 3.8840 8.0572 106.8216 46.0703 0.0000 174.2657 648 R 4.1463 7.7272 117.8639 55.2880 30.8453 177.6736 649 G 3.8353 8.3885 106.7947 44.0370 0.0000 174.2556 650 L 3.9539 8.5307 122.7368 58.4650 41.9251 179.0860 651 E 3.9744 8.2570 117.3935 59.8299 29.6188 178.8847 652 D 4.3848 8.1418 117.1215 57.4618 41.2565 178.2858 653 I 3.7570 8.0715 120.4209 64.3589 37.1374 177.6137 654 Y 4.0519 8.5486 120.7988 61.0570 38.6077 178.4508 655 Q 4.1599 8.4883 118.4516 58.4774 28.4697 179.0540 656 S 4.0794 7.5919 115.7459 61.7274 63.2125 175.9805 657 C 4.2700 8.1105 119.3637 62.8637 27.7705 175.8125 658 E 3.9338 8.2316 120.4693 59.8404 29.0208 179.6758 659 Q 4.0551 8.3374 117.5891 58.4701 28.6256 179.0002 660 L 3.8969 7.7688 120.5554 57.7901 41.6675 179.3518 661 F 4.0834 7.9513 117.7940 60.3929 38.5934 177.1660 662 E 3.9352 8.2852 117.3076 59.6961 29.5673 178.4462 663 N 4.5244 8.3499 114.7771 56.0267 38.6042 176.4806 664 K 3.8622 8.5498 121.3527 59.2684 32.2465 176.2582 665 Y 4.4877 8.3921 124.7119 58.3630 38.8529 176.3147 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 540 N 8.28 4.56 0.00 2.97 3.10 0.00 0.00 6.00 6.57 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 0.00 541 A 8.02 3.48 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 0.00 542 Q 7.30 4.59 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 543 V 8.14 3.91 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 0.83 0.00 0.00 1.07 0.00 0.00 544 E 8.77 4.44 0.00 1.93 1.86 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 2.45 2.40 0.00 545 V 8.42 4.73 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 1.04 0.00 0.00 0.96 0.00 0.00 546 I 8.87 4.88 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 1.13 0.52 0.94 0.00 0.00 547 V 8.40 4.89 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 1.48 0.00 0.00 0.95 0.00 0.00 *550 H 8.54 4.51 0.00 3.15 3.28 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 G 8.71 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 0.00 0.00 0.00 552 R 8.41 4.11 0.00 1.82 2.01 0.00 3.25 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 553 S 7.68 4.75 0.00 3.95 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 0.00 554 T 8.42 3.77 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 1.23 0.00 0.00 555 A 8.18 4.13 1.38 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 0.00 556 T 8.36 3.97 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 0.00 557 S 8.27 4.22 0.00 3.84 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 *559 V 7.98 4.03 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 1.03 0.00 0.00 0.98 0.00 0.00 560 E 8.36 3.99 0.00 2.05 1.98 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 2.33 2.54 0.00 561 T 7.86 3.88 4.24 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 1.21 0.00 0.00 562 V 7.69 3.68 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 1.12 0.00 0.00 0.93 0.00 0.00 563 Q 8.34 3.97 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 564 E 8.05 3.99 0.00 1.98 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 2.32 2.34 0.00 565 L 8.21 4.14 0.00 1.78 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 566 L 7.95 4.44 0.00 1.60 1.69 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 567 S 7.58 3.71 0.00 4.07 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 0.00 568 I 7.36 4.61 1.87 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 1.42 0.74 0.96 0.00 0.00 569 E 8.62 4.55 0.00 1.94 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 2.19 2.25 0.00 570 S 7.87 4.48 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 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 0.00 572 I 8.49 4.65 1.88 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 1.16 0.62 0.92 0.00 0.00 573 A 8.70 4.78 1.25 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 0.00 0.00 0.00 574 L 8.75 4.59 0.00 1.53 1.61 0.96 1.30 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 0.00 575 D 8.44 4.71 0.00 2.67 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 *577 P 0.00 4.26 0.00 2.25 2.25 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 578 L 8.37 4.09 0.00 1.67 1.79 0.95 0.87 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 0.00 579 T 7.90 4.12 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 0.00 580 V 7.33 4.36 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 0.86 0.00 0.00 0.95 0.00 0.00 581 E 8.55 4.28 0.00 2.08 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 0.00 2.42 2.26 0.00 582 V 8.72 3.76 2.18 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 1.01 0.00 0.00 0.98 0.00 0.00 583 K 8.30 4.09 0.00 1.85 1.83 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.48 7.81 584 A 7.90 4.36 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 *586 Y 8.06 3.96 0.00 1.43 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 0.00 587 E 8.30 3.80 0.00 2.18 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 2.52 2.50 0.00 588 K 7.89 4.01 0.00 2.00 2.20 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 589 L 7.68 3.82 0.00 1.84 1.68 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 590 K 7.60 3.52 0.00 1.25 1.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.29 1.23 7.81 591 Q 8.16 3.86 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 592 T 8.30 3.84 4.41 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 1.20 0.00 0.00 593 V 8.01 3.53 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 0.77 0.00 0.00 0.93 0.00 0.00 594 V 7.70 3.72 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 0.95 0.00 0.00 0.95 0.00 0.00 595 K 7.84 4.03 0.00 2.02 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 596 L 7.68 4.04 0.00 1.78 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 597 N 7.95 4.09 0.00 2.79 2.85 0.00 0.00 7.19 8.96 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 0.00 598 P 0.00 4.31 0.00 2.22 2.07 0.00 3.82 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 1.98 1.99 0.00 599 V 8.35 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 0.78 0.00 0.00 0.93 0.00 0.00 600 K 7.67 4.51 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.47 7.81 601 G 8.49 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 0.00 602 V 8.47 4.76 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 1.00 0.00 0.00 0.94 0.00 0.00 603 L 9.51 5.14 0.00 1.78 1.55 1.16 0.97 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 0.00 604 I 8.72 4.82 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 0.98 0.00 0.00 605 L 9.21 5.22 0.00 1.57 1.63 0.96 0.50 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 0.00 606 S 9.15 5.00 0.00 3.78 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.26 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 *609 G 7.45 3.87 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 0.00 0.00 0.00 610 S 8.50 4.19 0.00 3.83 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 0.00 611 L 7.60 2.80 0.00 1.49 1.46 0.78 0.23 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 0.00 612 T 7.69 3.91 4.23 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 1.18 0.00 0.00 613 S 8.18 4.67 0.00 4.10 4.16 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 0.00 0.00 0.00 614 F 8.16 4.55 0.00 3.26 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 0.00 615 G 8.37 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 0.00 616 N 8.25 4.36 0.00 2.77 2.90 0.00 0.00 7.00 7.48 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 0.00 617 I 7.69 3.66 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.41 0.00 0.00 618 L 8.45 4.50 0.00 2.03 2.00 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 619 T 7.81 4.08 4.41 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 1.21 0.00 0.00 620 E 7.88 3.96 0.00 2.20 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 0.00 2.33 2.48 0.00 621 E 8.62 4.19 0.00 2.00 2.18 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 2.37 2.35 0.00 622 L 8.01 4.67 0.00 1.67 1.68 0.92 0.66 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 0.00 623 G 8.87 3.83 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 0.00 0.00 0.00 624 I 7.51 4.42 1.87 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 1.30 0.92 0.91 0.00 0.00 625 R 8.45 4.37 0.00 1.89 1.80 0.00 3.10 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 626 T 8.04 5.80 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 1.24 0.00 0.00 627 K 8.51 4.73 0.00 1.66 1.26 0.00 1.36 0.00 0.00 1.60 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.26 7.81 628 T 8.42 5.13 4.29 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 1.30 0.00 0.00 629 V 8.85 4.49 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 1.10 0.00 0.00 0.98 0.00 0.00 630 T 8.11 5.14 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 1.19 0.00 0.00 *632 V 7.79 4.13 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 0.81 0.00 0.00 1.01 0.00 0.00 633 S 8.35 4.79 0.00 3.83 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 T 8.75 3.88 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 1.20 0.00 0.00 635 P 0.00 4.17 0.00 2.14 2.26 0.00 3.53 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 1.95 1.99 0.00 636 V 7.79 3.69 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 0.70 0.00 0.00 1.01 0.00 0.00 637 V 7.76 3.71 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 0.84 0.00 0.00 0.95 0.00 0.00 638 L 7.89 4.02 0.00 1.70 1.83 0.91 1.22 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 0.00 639 E 8.68 4.06 0.00 2.04 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 2.30 2.39 0.00 640 A 8.23 3.96 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 *642 R 7.84 4.17 0.00 2.11 2.08 0.00 3.18 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 643 K 8.19 4.00 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.54 7.81 644 A 8.07 4.01 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 0.00 645 S 8.05 4.32 0.00 3.88 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 0.00 646 L 7.63 4.10 0.00 1.89 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 647 G 8.06 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 0.00 648 R 7.73 4.15 0.00 1.86 2.03 0.00 3.48 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 649 G 8.39 3.84 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 0.00 0.00 0.00 650 L 8.53 3.95 0.00 1.78 1.73 0.98 0.89 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 0.00 651 E 8.26 3.97 0.00 2.04 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 2.39 2.33 0.00 652 D 8.14 4.38 0.00 2.81 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 0.00 653 I 8.07 3.76 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.95 0.00 0.00 654 Y 8.55 4.05 0.00 3.10 3.27 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 0.00 655 Q 8.49 4.16 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 656 S 7.59 4.08 0.00 4.13 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 0.00 657 C 8.11 4.27 0.00 3.00 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 0.00 658 E 8.23 3.93 0.00 1.68 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 0.00 1.47 2.18 0.00 659 Q 8.34 4.06 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 660 L 7.77 3.90 0.00 1.38 1.46 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 661 F 7.95 4.08 0.00 3.16 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 0.00 662 E 8.29 3.94 0.00 1.94 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 2.22 2.35 0.00 663 N 8.35 4.52 0.00 2.67 2.86 0.00 0.00 7.06 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 0.00 664 K 8.55 3.86 0.00 1.74 2.07 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.44 7.81 665 Y 8.39 4.49 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.