NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 527 M 4.3781 8.4045 120.3488 55.0644 33.2593 178.8595 528 L 4.6184 8.7322 114.4550 50.3331 43.8354 175.1690 529 T 4.2574 9.1779 115.8903 59.6039 70.6986 172.6389 530 P 4.5598 0.0000 0.0000 61.9185 32.5396 176.4943 531 T 4.1540 8.0605 115.9538 62.9507 70.2147 175.3615 532 L 3.8981 8.4243 123.4775 58.7008 42.0078 179.0341 533 V 3.5620 7.8849 117.3501 66.3595 31.3022 177.7814 534 S 4.0890 7.9105 111.9457 61.3445 62.4083 175.8396 535 L 4.0011 8.2307 122.0174 57.9358 41.1917 179.5882 536 L 4.0886 8.0993 117.7565 57.2852 41.9026 178.7649 537 E 4.1099 7.9332 119.4165 58.9497 29.3697 178.7834 538 V 3.7528 7.4652 117.5269 65.2282 31.7186 177.0995 539 I 4.3235 7.3478 109.7353 59.6260 37.9654 175.2526 540 E 3.9362 7.2660 121.7566 55.8325 29.5819 174.8978 541 P 4.4908 0.0000 0.0000 61.9016 32.1704 175.9960 542 E 4.0170 8.6675 120.0163 56.4460 29.6697 177.2152 543 V 3.3532 8.2490 122.4309 62.9807 32.0609 175.0905 544 L 4.4667 8.2976 126.9003 54.1977 42.6265 175.7600 545 Y 4.4334 8.4723 120.3642 56.5728 39.3388 175.9635 546 A 4.0876 8.6999 126.1366 53.1815 19.0941 177.4737 547 G 3.8535 8.2870 102.8277 47.2976 0.0000 172.8800 548 Y 4.3079 8.0115 118.3328 55.2321 41.2027 174.2527 549 D 4.5862 6.8700 126.1050 51.9435 41.3568 175.9825 550 S 4.1037 8.5496 121.9537 60.9308 62.5704 175.7325 551 S 4.2376 8.0567 114.0776 60.0296 63.1966 174.4216 552 V 4.0578 7.1392 121.7915 60.9619 32.2332 174.4557 553 P 4.5242 0.0000 0.0000 62.4510 33.4911 176.8151 554 D 4.4564 8.7892 119.6334 57.8315 40.7553 179.6293 555 S 4.1828 8.1696 116.2945 62.5453 63.3706 176.8231 556 T 3.9299 8.0684 118.6362 65.2277 68.0288 177.6489 557 W 4.2407 8.2867 131.1872 60.1929 30.8093 177.9912 558 R 3.9083 8.2352 118.8557 59.3965 29.5165 178.4634 559 I 3.6694 7.5380 112.3167 64.4335 37.7234 177.8550 560 M 3.9497 7.8657 120.2645 58.2467 31.8845 178.3540 561 T 3.5543 7.9027 116.4873 66.5102 68.5110 177.0718 562 T 3.8886 7.8231 117.6375 66.6578 68.4474 176.8929 563 L 4.0914 8.2153 121.2592 57.7164 41.5967 179.3472 564 N 4.3089 8.1512 118.5844 57.1780 38.5452 177.5876 565 M 3.9507 8.6322 122.8205 59.8875 31.3572 180.2755 566 L 4.2166 7.9681 121.5264 57.8789 42.3048 178.9679 567 G 3.8567 8.3438 106.1481 48.0302 0.0000 175.7998 568 G 3.4867 8.0140 108.1690 47.4515 0.0000 176.0261 569 R 4.0480 8.0788 120.6346 59.0625 29.9777 179.2464 570 Q 3.9728 8.5675 118.2431 58.9507 28.7641 178.8608 571 V 3.6536 7.9020 119.3758 66.1581 31.5368 178.1595 572 I 3.7359 8.3554 119.6988 64.1591 36.8385 178.2496 573 A 4.0227 8.1305 121.5398 55.0307 18.2017 179.4509 574 A 4.0087 8.3462 119.6984 55.3703 18.5129 180.0835 575 V 3.5422 7.8056 116.6368 66.1555 31.4643 178.1287 576 K 3.9583 7.9880 117.9730 59.0763 32.2051 178.2819 577 W 4.2175 8.6328 128.9218 60.4360 30.6773 177.6482 578 A 2.6233 8.3890 121.0051 54.8334 17.4479 179.7735 579 K 3.9934 7.6741 115.2095 59.0956 32.1533 178.6316 580 A 4.4647 7.3489 119.1577 52.0988 19.0645 177.2604 581 I 3.5278 7.1229 119.0742 60.1114 36.5913 173.7422 582 P 4.2643 0.0000 0.0000 64.5731 31.9137 175.2297 583 G 4.3815 9.4409 115.3887 46.1737 0.0000 175.0341 584 F 3.9127 8.5453 122.9548 60.9049 39.2007 177.2183 585 R 4.2717 8.0802 116.7655 57.7969 29.9151 176.1799 586 N 4.7477 7.9927 113.6045 53.4607 39.0882 175.2820 587 L 4.1504 7.6599 119.2385 54.0015 42.5120 176.6454 588 H 3.9516 8.3283 119.0741 56.7710 31.3537 176.1384 589 L 3.8820 8.4512 127.2555 58.1403 41.5450 179.4463 590 D 4.3756 7.6948 118.0402 56.8594 40.7955 178.4289 591 D 4.2672 7.7848 119.4175 57.3864 40.8996 178.2559 592 Q 3.6762 8.0019 118.6807 59.1647 28.6839 179.0097 593 M 4.1435 7.9285 118.6885 58.9998 32.2804 178.4807 594 T 3.5995 7.8567 115.8770 66.3189 68.3230 176.7093 595 L 4.1143 8.2798 120.1182 58.0742 41.7227 179.1766 596 L 4.2851 7.9612 118.5702 58.0948 41.3538 179.7818 597 Q 4.2242 8.1497 117.9013 59.3042 28.6483 178.1042 598 Y 4.6661 8.1618 116.7960 59.9704 38.2478 176.9791 599 S 4.7181 8.1075 112.7517 56.4105 64.9060 175.7058 600 W 4.4008 8.2228 119.9475 60.4792 27.4898 177.8958 601 M 3.3699 6.7483 118.2413 57.8650 31.6014 177.8634 602 S 4.0393 7.7511 112.8783 61.3613 62.5657 176.0588 603 L 3.8883 7.9466 121.6670 57.7789 41.2536 179.2151 604 M 3.9751 7.9657 117.8589 58.7151 32.2377 178.0314 605 A 3.9011 8.5098 121.2575 55.1532 18.4545 179.4774 606 F 4.0662 8.3992 118.8619 61.4177 39.5104 177.2008 607 A 4.5884 8.2859 121.8427 54.5983 18.1582 179.2975 608 L 3.9982 8.8480 119.4284 58.1799 42.2815 179.3393 609 G 3.5920 8.2417 105.8314 47.5626 0.0000 175.3063 610 W 3.9888 8.3717 131.6837 60.0585 30.6845 177.9605 611 R 3.8235 8.1701 118.0401 59.6548 29.4996 179.2375 612 S 4.1725 8.0675 114.6096 61.5048 62.6213 176.1499 613 Y 4.1620 7.6891 121.9352 60.9430 38.3201 178.5231 614 R 3.2462 6.8755 117.3599 58.7485 30.1038 178.9346 615 Q 4.1032 8.1695 117.5882 58.2045 28.7110 178.0934 616 S 4.5742 7.2200 112.4797 57.6264 63.7469 173.7419 617 S 3.5309 8.6965 112.3359 60.1779 60.8942 172.8459 618 A 4.0260 8.6040 119.9208 52.6747 17.2435 179.2465 619 N 4.7107 7.5869 111.2875 52.8641 37.9905 174.7869 620 L 4.8309 7.3460 117.5252 53.1745 46.5670 176.1900 621 L 4.3149 8.1527 120.1447 54.4811 42.5130 176.0776 622 C 4.9428 9.1490 124.3687 58.4087 26.6527 174.1981 623 F 4.2906 9.0255 121.5276 59.7988 38.7706 175.1646 624 A 4.9056 7.9098 120.8584 49.3379 22.0155 174.9055 625 P 4.3678 0.0000 0.0000 64.7754 31.4141 177.4937 626 D 4.8681 7.9776 116.5598 52.3032 39.8765 175.9951 627 L 4.4323 7.7109 122.8654 55.0065 44.3253 174.2630 628 I 4.9258 8.2884 126.2741 59.3695 40.6599 175.4940 629 I 4.2390 8.2333 126.3575 59.8715 39.0120 175.0559 630 N 4.9072 8.3605 130.3605 52.5494 39.8627 175.7341 631 E 4.0419 8.9114 118.3892 62.4574 29.8903 175.3072 632 Q 4.3149 7.8994 121.0544 60.2632 28.1506 180.7417 633 R 4.1273 8.1181 119.2330 59.0203 30.2087 178.3874 634 M 4.4655 8.0680 118.3606 56.7321 32.9199 177.1327 635 T 4.2402 7.5018 114.1708 60.8148 69.7707 179.5827 636 L 4.8747 7.1664 122.6148 52.2480 44.5129 176.7398 637 P 4.6992 0.0000 0.0000 62.9218 31.4866 176.1974 638 D 4.5624 8.4953 115.1429 53.9276 42.1474 175.9224 639 M 3.2171 8.7415 118.6327 56.4500 30.5620 177.9666 640 Y 4.3372 7.9322 117.7434 59.2587 38.0217 177.3107 641 D 3.7032 7.5841 120.7517 57.0891 40.7534 178.3971 642 Q 3.8799 7.7503 118.2632 59.0247 28.9039 178.1068 643 C 4.1970 7.8313 117.8113 62.3616 28.1330 175.8404 644 K 3.8398 8.0452 121.3995 60.0849 31.5394 178.4613 645 H 4.2831 7.2615 114.4117 59.1511 28.5989 177.5245 646 M 4.3029 8.3422 120.6407 58.5392 31.8240 178.9163 647 L 4.1573 8.5606 119.2485 57.4633 41.6521 178.9124 648 Y 3.9890 7.9258 119.5821 60.5905 38.7290 178.0516 649 V 3.5357 7.5633 117.7985 66.2526 31.4538 177.9625 650 S 4.0792 7.9426 112.2690 61.3911 62.3144 176.0147 651 S 3.9451 8.1032 117.1594 61.3333 62.2588 175.8416 652 E 3.8631 7.9202 122.1374 57.9031 29.3013 178.6935 653 L 3.8576 7.4016 119.4486 57.9658 41.6659 178.4296 654 H 2.8455 7.6859 118.3786 58.9303 29.4419 177.2764 655 R 3.8286 7.9769 120.2554 58.7775 30.0144 176.8530 656 L 4.3385 7.4199 114.5564 53.8944 42.0987 176.1268 657 Q 3.2824 7.3278 117.1561 56.1796 26.9275 174.6015 658 V 3.9407 7.5122 116.1526 63.4374 32.5038 176.1634 659 S 4.9341 8.7801 121.8013 57.6057 65.5903 174.8842 660 Y 4.0414 8.8241 122.7661 61.0791 38.4970 178.1316 661 E 3.7068 8.2322 118.9162 59.2597 29.5404 178.7277 662 E 3.9384 8.1235 118.4905 59.6863 29.5494 178.4967 663 Y 4.4365 8.3731 119.4514 60.9268 38.6331 178.1791 664 L 3.3228 8.0156 119.8273 57.9305 41.7167 179.3453 665 C 3.9912 8.0976 116.4639 63.1592 28.1644 176.0758 666 M 3.8668 8.6565 121.1817 58.3485 31.4290 178.7479 667 K 3.4159 8.1735 119.8067 59.6638 32.0009 178.8689 668 T 4.0802 7.5337 115.0750 66.7252 68.2770 176.3461 669 L 4.1825 7.8389 120.7681 57.5303 41.3657 179.4818 670 L 3.9622 7.4397 118.4453 57.2870 41.5031 178.7609 671 L 4.2807 7.6471 120.0507 57.4118 42.2733 177.7676 672 L 5.0301 7.4955 117.3982 55.1877 42.2933 176.9384 673 S 4.8923 8.0867 111.8229 58.1535 64.6967 173.4992 674 S 5.0289 7.8826 114.0188 57.9091 65.3662 174.3807 675 V 4.6698 8.3732 117.2337 58.2761 35.9303 173.2932 676 P 4.6013 0.0000 0.0000 62.8432 31.5504 177.5310 677 K 3.9994 8.5215 125.9356 59.5379 32.0841 177.7035 678 D 4.3176 8.1976 118.7378 55.8997 41.4942 176.1293 679 G 4.1082 7.9725 106.4166 44.0800 0.0000 173.7035 680 L 4.1616 8.3002 123.5475 54.4694 42.5911 178.4707 681 K 4.0223 8.9652 122.2467 57.7282 32.4370 180.4582 682 S 4.7788 8.5688 117.4094 57.5037 60.6754 175.7675 683 Q 4.0011 7.7732 123.6831 58.9601 28.9838 178.5228 684 A 3.9877 7.9645 121.1640 55.2528 18.4889 179.0009 685 L 3.8877 8.0484 118.2502 58.3911 41.9467 178.9131 686 F 4.1084 8.3882 120.2340 61.5734 39.3861 176.9079 687 D 4.3176 8.6557 118.5176 57.1231 40.4349 178.5562 688 A 3.9436 8.3761 121.7170 55.2738 18.3620 179.7032 689 I 3.5059 7.7457 118.2582 64.4394 37.2077 178.7082 690 R 3.8150 8.2872 119.6898 59.8222 29.8720 178.4536 691 M 4.2291 8.3357 118.8107 58.6614 31.7684 178.8982 692 T 3.6673 7.5485 116.0240 66.6366 68.5683 175.9078 693 Y 4.3497 7.4939 117.4344 59.9167 38.2572 178.1423 694 I 3.8741 8.3389 121.7788 64.1837 37.1705 178.1326 695 K 3.9021 8.2870 120.6932 59.6224 32.0411 178.3790 696 E 3.9253 8.3204 119.7648 58.9863 29.4737 178.5142 697 L 4.0362 8.1708 120.6453 58.1806 42.3527 178.9500 698 G 3.8338 7.9996 105.1427 48.0393 0.0000 175.5198 699 K 3.9772 8.4479 120.8761 59.1708 32.2360 179.2772 700 A 4.0331 8.0062 120.9614 55.1235 18.2183 179.6071 701 I 3.7905 7.9116 118.3371 64.7687 37.0249 178.8895 702 V 3.6909 7.6498 119.5613 66.4260 31.4311 178.5019 703 K 4.0675 8.0149 122.6268 59.1572 31.4185 180.0636 704 R 4.6469 7.3832 116.7214 59.4588 31.3002 177.7722 705 E 4.5503 8.6351 114.3404 55.0466 33.2546 178.4832 706 G 3.9123 8.5777 105.3399 47.1585 0.0000 176.7708 707 N 4.4605 9.2232 118.9071 53.1321 39.9048 175.7517 708 S 3.9741 8.7738 115.9745 61.5046 62.9332 176.3861 709 S 4.1185 8.3017 113.4728 61.3923 62.3936 175.4619 710 Q 4.6215 7.4205 117.4826 55.7221 29.0760 177.1196 711 N 4.6684 8.0867 117.6424 55.8657 39.1885 177.1846 712 S 4.1988 8.0662 113.7358 61.1778 62.2976 175.7304 713 Q 4.0593 8.1671 122.1894 59.1665 28.7658 178.1502 714 R 3.9184 8.3405 119.9896 59.4494 30.2059 178.1559 715 F 4.0088 8.3468 120.0436 61.3558 39.2562 176.3386 716 Y 4.1684 8.4398 120.6952 60.3711 38.5498 178.0145 717 Q 3.6976 8.3011 119.1531 58.7063 28.8904 178.6511 718 L 3.9547 8.5122 120.7246 57.9874 41.1594 179.7037 719 T 3.3568 7.3258 109.7111 64.3496 68.4648 176.4478 720 K 3.9038 8.0758 122.8754 58.9526 31.8416 178.6314 721 L 4.0265 7.1713 121.4023 57.5686 42.4336 178.3278 722 L 4.0785 7.6774 118.7759 58.1938 41.1441 179.1124 723 D 4.5236 8.4014 118.9272 57.6479 40.6722 178.8828 724 S 4.4260 8.0307 112.5193 60.0893 63.2037 175.9841 725 M 4.2432 8.0887 123.3844 58.5436 31.6325 177.9254 726 H 4.0925 7.7352 115.6647 58.8380 28.8133 177.2316 727 E 3.8641 8.1192 120.5755 59.2109 29.5941 179.0528 728 V 3.4859 7.4275 119.3033 64.7110 31.4188 178.2351 729 V 3.4073 8.3318 119.5296 65.7731 31.1478 177.6858 730 E 3.9185 7.9859 117.3143 59.2981 29.5353 178.2068 731 N 4.4580 7.9620 116.3415 56.0497 38.4579 177.4120 732 L 4.1500 7.9044 120.5281 57.4929 41.6070 179.1818 733 L 4.1718 7.9042 118.4857 57.0548 41.1028 178.9796 734 N 4.5263 7.9968 118.1432 57.3664 38.3070 176.6360 *735 Y 4.1844 7.9896 122.7935 61.7956 36.7957 180.8635 736 C 3.9967 8.3979 120.9505 61.3504 30.1578 176.3386 *737 F 4.4107 7.9384 125.0441 62.5444 37.7797 182.3453 738 Q 4.5663 7.8814 121.1136 60.1792 28.1512 181.5604 739 T 4.0597 9.6062 119.3372 63.1817 68.6749 179.4361 *740 F 4.3202 8.1559 119.8747 56.3712 39.8389 177.7882 *754 A 4.3083 8.2373 118.6665 52.2652 19.1790 176.6517 755 E 4.7231 7.2916 113.7114 54.9641 33.2693 176.5451 756 I 3.6547 7.8814 126.5119 64.4400 38.2508 178.1634 757 I 4.4901 8.3379 124.8358 64.7659 36.7341 178.7527 758 T 3.9890 7.2927 109.8256 64.2825 68.3324 177.8481 759 N 4.5991 8.0275 118.0238 57.3959 39.6598 176.5560 760 Q 4.0866 7.8956 118.8628 59.0520 28.5518 178.8624 761 I 3.7683 7.1735 120.1386 62.8888 38.4617 175.3814 762 P 4.3642 0.0000 0.0000 61.3739 30.0393 176.4347 763 K 4.3619 7.5836 119.0394 55.0399 34.3034 175.6920 *764 Y 4.1658 8.8542 126.7612 57.2760 36.2623 173.5535 765 S 4.5926 8.5048 121.9867 57.1825 62.9694 169.9333 766 N 4.8106 8.3477 116.4901 52.2172 41.5346 176.2414 767 G 4.0380 8.0040 112.6144 44.9232 0.0000 172.1539 768 N 4.0887 8.4857 112.1977 53.6669 34.5974 171.9853 769 I 4.1114 7.4978 120.6787 59.6656 39.4991 176.6622 770 K 4.0169 8.6000 130.5970 55.7107 32.6563 176.2578 771 K 4.2636 8.3029 128.3157 55.4558 32.3407 177.2374 772 L 4.1479 8.4342 126.5624 54.6216 42.1115 177.1408 773 L 4.8861 8.1779 122.1205 53.0910 44.9698 176.6981 774 F 4.4223 10.0285 120.7296 58.6449 39.3802 175.9969 775 H 4.6488 8.2126 117.2830 56.1841 32.0264 173.3969 776 Q 3.6069 8.5873 121.9311 56.3699 30.1279 174.8676 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 527 M 8.40 4.38 0.00 1.97 1.23 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 528 L 8.73 4.62 0.00 1.73 1.38 0.92 0.50 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 0.00 529 T 9.18 4.26 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 0.00 530 P 0.00 4.56 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 531 T 8.06 4.15 4.31 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 0.00 0.00 0.00 1.21 0.00 0.00 532 L 8.42 3.90 0.00 1.75 1.67 0.92 0.77 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 0.00 533 V 7.88 3.56 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 0.97 0.00 0.00 0.93 0.00 0.00 534 S 7.91 4.09 0.00 3.93 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 0.00 535 L 8.23 4.00 0.00 2.06 1.70 0.92 0.69 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 0.00 536 L 8.10 4.09 0.00 1.73 1.73 0.92 0.83 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 0.00 537 E 7.93 4.11 0.00 2.03 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 0.00 2.30 2.31 0.00 538 V 7.47 3.75 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 0.91 0.00 0.00 1.04 0.00 0.00 539 I 7.35 4.32 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.75 0.96 0.00 0.00 540 E 7.27 3.94 0.00 2.18 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 2.32 2.32 0.00 541 P 0.00 4.49 0.00 2.08 1.98 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 542 E 8.67 4.02 0.00 1.99 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 2.34 2.27 0.00 543 V 8.25 3.35 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 0.46 0.00 0.00 0.85 0.00 0.00 544 L 8.30 4.47 0.00 1.66 1.60 0.93 0.92 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 0.00 545 Y 8.47 4.43 0.00 2.95 2.90 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 0.00 546 A 8.70 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 547 G 8.29 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 0.00 0.00 0.00 548 Y 8.01 4.31 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 0.00 549 D 6.87 4.59 0.00 2.56 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 0.00 0.00 0.00 0.00 550 S 8.55 4.10 0.00 3.98 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 0.00 551 S 8.06 4.24 0.00 4.04 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 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2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 561 T 7.90 3.55 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 0.95 0.00 0.00 562 T 7.82 3.89 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 1.22 0.00 0.00 563 L 8.22 4.09 0.00 1.69 1.80 1.01 0.87 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 0.00 564 N 8.15 4.31 0.00 2.99 2.76 0.00 0.00 7.09 7.20 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 0.00 565 M 8.63 3.95 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 566 L 7.97 4.22 0.00 1.92 1.86 0.94 1.21 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 0.00 567 G 8.34 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 0.00 568 G 8.01 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.05 0.00 2.10 2.00 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 570 Q 8.57 3.97 0.00 2.30 2.16 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 2.37 2.48 0.00 571 V 7.90 3.65 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 0.86 0.00 0.00 0.85 0.00 0.00 572 I 8.36 3.74 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.92 0.00 0.00 573 A 8.13 4.02 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 0.00 574 A 8.35 4.01 1.46 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 0.00 0.00 575 V 7.81 3.54 2.23 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 1.02 0.00 0.00 1.04 0.00 0.00 576 K 7.99 3.96 0.00 1.83 2.02 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 577 W 8.63 4.22 0.00 3.38 3.35 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 0.00 578 A 8.39 2.62 0.52 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 0.00 0.00 579 K 7.67 3.99 0.00 1.73 1.92 0.00 2.00 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.63 7.81 580 A 7.35 4.46 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 0.00 581 I 7.12 3.53 1.54 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.27 0.59 0.00 0.00 582 P 0.00 4.26 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 583 G 9.44 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 0.00 584 F 8.55 3.91 0.00 3.04 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 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2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 594 T 7.86 3.60 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 0.63 0.00 0.00 595 L 8.28 4.11 0.00 1.92 2.09 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 596 L 7.96 4.29 0.00 2.00 1.84 1.06 1.42 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 0.00 597 Q 8.15 4.22 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 598 Y 8.16 4.67 0.00 2.97 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 0.00 599 S 8.11 4.72 0.00 4.11 4.17 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 0.00 600 W 8.22 4.40 0.00 3.63 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.75 3.37 0.00 1.50 0.57 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 602 S 7.75 4.04 0.00 3.84 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 0.00 603 L 7.95 3.89 0.00 1.92 1.51 1.07 0.46 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 0.00 604 M 7.97 3.98 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 605 A 8.51 3.90 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 0.00 606 F 8.40 4.07 0.00 3.34 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 0.00 607 A 8.29 4.59 1.50 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 0.00 608 L 8.85 4.00 0.00 1.76 1.89 1.07 1.15 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 0.00 609 G 8.24 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 0.00 610 W 8.37 3.99 0.00 2.70 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 0.00 611 R 8.17 3.82 0.00 1.95 2.11 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 612 S 8.07 4.17 0.00 4.03 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 0.00 613 Y 7.69 4.16 0.00 2.76 2.82 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 0.00 0.00 0.00 614 R 6.88 3.25 0.00 1.36 1.47 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 615 Q 8.17 4.10 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.37 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 616 S 7.22 4.57 0.00 3.90 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 0.00 617 S 8.70 3.53 0.00 3.95 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 0.00 618 A 8.60 4.03 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 0.00 619 N 7.59 4.71 0.00 2.80 2.89 0.00 0.00 6.67 7.45 0.00 0.00 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 L 7.35 4.83 0.00 1.46 1.52 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 621 L 8.15 4.31 0.00 1.60 1.79 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 622 C 9.15 4.94 0.00 2.82 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 0.00 623 F 9.03 4.29 0.00 3.07 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 0.00 624 A 7.91 4.91 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 0.00 625 P 0.00 4.37 0.00 2.06 2.12 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 626 D 7.98 4.87 0.00 2.75 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0.00 0.00 0.00 0.00 2.48 2.43 0.00 643 C 7.83 4.20 0.00 3.15 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 0.00 644 K 8.05 3.84 0.00 1.66 1.70 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 645 H 7.26 4.28 0.00 3.30 3.32 0.00 5.73 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 0.00 646 M 8.34 4.30 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.65 0.00 647 L 8.56 4.16 0.00 1.83 1.75 0.94 0.83 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 0.00 648 Y 7.93 3.99 0.00 3.04 3.19 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 0.00 649 V 7.56 3.54 2.23 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 0.87 0.00 0.00 1.10 0.00 0.00 650 S 7.94 4.08 0.00 3.92 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 0.00 651 S 8.10 3.95 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.86 0.00 1.44 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 0.00 2.10 2.22 0.00 653 L 7.40 3.86 0.00 1.64 1.54 0.79 0.95 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 0.00 654 H 7.69 2.85 0.00 2.79 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 R 7.98 3.83 0.00 1.83 1.81 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 656 L 7.42 4.34 0.00 1.63 1.67 0.95 0.88 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 0.00 657 Q 7.33 3.28 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 658 V 7.51 3.94 2.43 0.00 0.00 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 1.01 0.00 0.00 659 S 8.78 4.93 0.00 4.23 4.13 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 0.00 660 Y 8.82 4.04 0.00 3.27 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 0.00 661 E 8.23 3.71 0.00 2.08 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 2.35 2.44 0.00 662 E 8.12 3.94 0.00 2.34 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 2.39 2.40 0.00 663 Y 8.37 4.44 0.00 2.27 2.29 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 0.00 664 L 8.02 3.32 0.00 1.51 1.43 0.30 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 665 C 8.10 3.99 0.00 3.10 2.98 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 0.00 666 M 8.66 3.87 0.00 1.77 2.33 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.49 0.00 667 K 8.17 3.42 0.00 1.24 1.39 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.17 7.81 668 T 7.53 4.08 4.07 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 0.28 0.00 0.00 669 L 7.84 4.18 0.00 1.89 1.85 0.99 0.86 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 0.00 670 L 7.44 3.96 0.00 1.61 1.60 0.71 0.11 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 0.00 671 L 7.65 4.28 0.00 1.89 1.97 1.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 672 L 7.50 5.03 0.00 1.64 1.41 0.83 0.91 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 0.00 673 S 8.09 4.89 0.00 3.87 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 0.00 674 S 7.88 5.03 0.00 3.71 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 0.00 675 V 8.37 4.67 1.83 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 0.35 0.00 0.00 0.81 0.00 0.00 676 P 0.00 4.60 0.00 2.09 2.09 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 677 K 8.52 4.00 0.00 1.88 1.81 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.35 7.81 678 D 8.20 4.32 0.00 2.65 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 0.00 679 G 7.97 4.11 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 0.00 0.00 0.00 680 L 8.30 4.16 0.00 1.46 1.67 0.15 0.84 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 0.00 681 K 8.97 4.02 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.03 7.81 682 S 8.57 4.78 0.00 3.78 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 0.00 683 Q 7.77 4.00 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 684 A 7.96 3.99 1.33 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 0.00 685 L 8.05 3.89 0.00 1.78 1.94 0.92 0.84 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 0.00 686 F 8.39 4.11 0.00 3.24 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 0.00 687 D 8.66 4.32 0.00 2.94 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 0.00 688 A 8.38 3.94 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 0.00 689 I 7.75 3.51 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 1.10 0.00 0.00 690 R 8.29 3.81 0.00 1.38 1.75 0.00 2.92 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 691 M 8.34 4.23 0.00 2.05 2.12 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 2.60 0.00 692 T 7.55 3.67 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 0.77 0.00 0.00 693 Y 7.49 4.35 0.00 2.99 2.93 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 0.00 694 I 8.34 3.87 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.36 1.21 0.00 0.00 695 K 8.29 3.90 0.00 1.80 2.03 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 696 E 8.32 3.93 0.00 2.33 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 2.43 2.42 0.00 697 L 8.17 4.04 0.00 2.01 1.98 0.93 0.77 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 0.00 698 G 8.00 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 0.00 699 K 8.45 3.98 0.00 2.01 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 700 A 8.01 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 0.00 701 I 7.91 3.79 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 0.98 0.00 0.00 702 V 7.65 3.69 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 0.80 0.00 0.00 1.09 0.00 0.00 703 K 8.01 4.07 0.00 1.91 1.73 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.33 7.81 704 R 7.38 4.65 0.00 1.92 2.15 0.00 3.31 0.00 0.00 3.54 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 705 E 8.64 4.55 0.00 2.01 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 2.25 2.12 0.00 706 G 8.58 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 0.00 0.00 0.00 707 N 9.22 4.46 0.00 2.77 2.77 0.00 0.00 6.45 7.57 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 0.00 708 S 8.77 3.97 0.00 3.85 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 0.00 709 S 8.30 4.12 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 710 Q 7.42 4.62 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 711 N 8.09 4.67 0.00 3.00 2.88 0.00 0.00 6.68 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 0.00 712 S 8.07 4.20 0.00 3.91 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 0.00 713 Q 8.17 4.06 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 714 R 8.34 3.92 0.00 1.97 2.13 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 715 F 8.35 4.01 0.00 3.22 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 0.00 716 Y 8.44 4.17 0.00 3.20 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 0.00 717 Q 8.30 3.70 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 718 L 8.51 3.95 0.00 1.52 1.60 1.02 0.91 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 0.00 719 T 7.33 3.36 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 720 K 8.08 3.90 0.00 1.50 1.71 0.00 1.22 0.00 0.00 1.14 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.40 7.81 721 L 7.17 4.03 0.00 1.62 1.94 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 722 L 7.68 4.08 0.00 1.98 1.77 0.82 0.83 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 0.00 723 D 8.40 4.52 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 0.00 724 S 8.03 4.43 0.00 4.07 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 0.00 725 M 8.09 4.24 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.04 0.00 726 H 7.74 4.09 0.00 3.29 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.12 3.86 0.00 1.97 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 2.22 2.26 0.00 728 V 7.43 3.49 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 0.77 0.00 0.00 1.01 0.00 0.00 729 V 8.33 3.41 2.23 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 0.85 0.00 0.00 0.83 0.00 0.00 730 E 7.99 3.92 0.00 2.10 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 2.28 2.31 0.00 731 N 7.96 4.46 0.00 2.68 2.75 0.00 0.00 6.96 7.99 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 0.00 732 L 7.90 4.15 0.00 1.79 1.66 0.89 0.65 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 0.00 733 L 7.90 4.17 0.00 1.87 1.71 0.67 0.62 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 0.00 734 N 8.00 4.53 0.00 2.99 2.86 0.00 0.00 6.94 7.36 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 *735 Y 7.99 4.18 0.00 2.32 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 0.00 0.00 0.00 0.00 736 C 8.40 4.00 0.00 3.24 3.22 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 0.00 *737 F 7.94 4.41 0.00 2.38 2.24 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 0.00 738 Q 7.88 4.57 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 739 T 9.61 4.06 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 *740 F 8.16 4.32 0.00 2.29 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 0.00 0.00 0.00 0.00 *754 A 8.24 4.31 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 0.00 755 E 7.29 4.72 0.00 1.92 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 2.14 2.15 0.00 756 I 7.88 3.65 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.93 0.00 0.00 757 I 8.34 4.49 1.85 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 1.37 1.30 0.91 0.00 0.00 758 T 7.29 3.99 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 0.00 759 N 8.03 4.60 0.00 2.79 2.89 0.00 0.00 7.16 6.77 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 0.00 760 Q 7.90 4.09 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 761 I 7.17 3.77 1.66 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.53 0.91 0.00 0.00 762 P 0.00 4.36 0.00 1.66 1.07 0.00 3.46 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.00 763 K 7.58 4.36 0.00 1.87 1.73 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 *764 Y 8.85 4.17 0.00 2.32 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 0.00 0.00 0.00 0.00 765 S 8.50 4.59 0.00 3.62 3.67 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 0.00 766 N 8.35 4.81 0.00 2.69 2.67 0.00 0.00 6.73 7.65 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 0.00 767 G 8.00 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 0.00 768 N 8.49 4.09 0.00 2.82 2.86 0.00 0.00 6.38 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 769 I 7.50 4.11 1.60 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.02 0.05 0.00 0.00 770 K 8.60 4.02 0.00 1.78 1.78 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.34 7.81 771 K 8.30 4.26 0.00 1.45 1.22 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.43 7.81 772 L 8.43 4.15 0.00 1.58 1.45 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 773 L 8.18 4.89 0.00 1.53 1.52 1.10 0.82 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 0.00 774 F 10.03 4.42 0.00 2.90 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 0.00 775 H 8.21 4.65 0.00 3.36 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 776 Q 8.59 3.61 0.00 2.28 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.