NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 500 M 4.4512 8.3044 120.6092 54.8259 34.6201 174.5137 501 V 4.2975 7.8778 118.8789 61.1879 34.4667 172.8526 502 S 5.0634 9.0082 125.7325 57.9651 64.5712 173.1367 503 I 5.6239 8.7874 116.7792 57.9338 41.5710 173.9735 504 A 4.8349 7.9153 123.5950 50.1586 22.3905 174.7029 505 I 4.7591 8.7558 123.3438 59.6348 39.6624 174.1338 506 N 5.0467 9.5778 126.9231 53.1868 40.9151 174.3318 507 G 4.2999 10.0630 115.5272 46.5856 0.0000 173.7365 508 F 5.3833 8.8981 129.4769 57.7002 40.2844 175.7423 509 G 4.1029 7.7008 109.5005 43.9051 0.0000 172.9404 510 R 3.9818 8.6185 118.1524 59.6769 30.1366 178.8002 511 I 3.8698 7.7983 118.8580 64.2340 37.2465 178.1458 512 G 4.1823 8.0900 107.3262 47.4990 0.0000 175.4855 513 R 3.6221 7.7309 120.7131 58.5959 29.9221 179.0349 514 L 3.7398 7.5405 120.3105 57.8250 42.0108 179.1288 515 V 3.4966 8.2557 118.7112 65.7577 31.3817 177.6593 516 L 3.9312 8.2342 120.4008 58.2459 41.7071 179.0767 517 R 4.1046 7.8955 116.5054 59.4831 30.3329 178.8709 518 I 3.8649 7.9928 119.2530 64.3146 37.1513 178.2064 519 A 3.9728 8.5046 121.8677 55.3449 18.0493 179.5347 520 L 4.1967 8.0103 115.5973 57.1002 41.7899 178.4917 521 E 4.6647 7.9995 116.8518 55.4354 30.3384 176.0584 522 R 4.2325 8.1638 120.2428 55.0184 29.9888 177.1071 523 K 3.8284 8.8100 123.8861 59.3885 32.3849 177.5896 524 N 4.9377 8.0752 114.0428 52.9519 38.7782 173.8253 525 I 5.0528 7.6854 118.3435 59.5586 40.8851 175.1696 526 D 4.5707 9.0322 124.5642 52.2754 43.8429 174.4963 527 V 4.1093 8.4003 126.8463 63.1677 31.7589 175.8205 528 V 4.2797 8.7649 121.3941 62.3168 33.7295 175.3841 529 A 5.6887 7.6670 119.9164 52.2503 22.7721 174.8975 530 I 5.7413 8.0894 111.0423 59.0035 41.5698 173.6004 531 N 5.5261 8.4837 120.4589 52.4916 43.0575 172.5671 532 D 4.7033 8.5706 120.5276 53.3572 45.0852 174.4374 532A P 4.5257 0.0000 0.0000 63.0452 31.9707 176.4704 533 F 4.8771 7.8549 117.3234 57.6702 39.4855 175.2101 534 I 4.7418 7.2593 113.0541 58.3220 40.8036 174.7858 *536 S 4.9153 8.0881 116.7909 58.2870 65.1866 174.8438 537 V 3.5711 8.0109 120.5762 66.0409 31.1315 177.4504 538 D 4.2867 7.9419 117.4520 57.4378 41.1200 177.4600 539 Y 4.4265 8.3116 119.9298 60.7078 38.8517 177.5501 540 A 4.1114 8.7363 121.9944 55.1991 18.5396 179.5083 541 A 4.1022 8.3652 119.3782 55.4057 18.4225 179.2579 542 Y 4.1424 8.3921 118.1162 61.2013 38.6906 178.2039 543 M 4.2713 8.8815 119.9877 58.4648 31.9061 178.4168 544 F 4.0194 8.2899 119.4689 61.1326 39.8452 176.8863 545 K 3.9349 8.1166 118.8012 58.5497 33.0108 176.2970 546 Y 4.5812 7.3242 118.9574 56.1958 36.9536 173.1303 547 D 4.7704 8.7232 120.5964 52.0821 41.3747 177.2558 548 S 4.1500 8.7879 122.6079 61.3235 63.2731 175.8382 549 T 4.1375 8.0929 116.6811 66.1547 68.6894 175.3253 550 H 4.6619 8.7886 115.5501 55.4767 29.2323 176.2580 551 G 3.8244 8.3611 109.1158 44.1534 0.0000 172.1829 552 K 4.4756 8.2194 119.7357 55.5712 32.6153 176.0587 553 Y 4.1174 8.6242 128.7134 57.3218 39.0329 175.8636 554 K 3.8454 8.2303 127.3382 59.2425 32.3912 177.6627 555 G 3.6883 6.0208 106.0915 45.2711 0.0000 171.2786 556 E 4.7934 8.8354 118.1876 54.8135 31.4108 176.2536 557 V 5.6364 8.5140 116.5149 59.1692 35.9780 175.2130 558 S 4.7180 8.1486 116.2742 59.7672 65.9365 172.0402 559 H 4.9386 8.2027 114.2345 56.1236 30.4156 172.6259 560 D 4.7164 8.2053 117.4349 53.2265 39.4226 176.9397 561 G 4.0448 9.1589 105.9467 47.3204 0.0000 174.6416 562 S 4.4650 8.1230 111.9461 58.4488 66.3129 173.3745 563 N 5.0735 9.0553 115.7668 51.1148 43.0482 173.5316 564 L 4.4841 9.0300 124.3449 54.3005 44.2694 175.6183 565 I 4.7780 8.9562 126.7539 59.8670 39.6358 174.6068 566 I 4.7409 8.7525 129.7904 59.4811 39.1866 176.0204 567 N 4.3418 10.2907 126.7874 54.1621 36.5911 176.0032 568 G 3.9491 8.5893 106.9231 44.9682 0.0000 173.9951 569 K 4.2542 8.1281 122.8237 55.5125 33.2448 175.6351 570 K 4.7086 8.6154 129.4872 55.9182 33.3737 175.8827 571 V 4.3944 8.9472 126.8575 60.6040 34.3788 174.6230 572 A 4.8763 8.5328 129.6901 51.8597 19.6173 176.1427 573 V 4.6919 7.4138 119.2855 61.1146 34.5666 174.7305 574 F 4.9244 8.8933 124.2699 55.3483 43.9790 174.5604 575 Q 5.1562 8.1923 115.7271 54.6419 29.8751 175.3158 576 E 4.1088 8.4061 117.9098 56.0482 30.0335 177.5805 577 K 3.9669 8.5086 124.0840 57.5275 32.8910 175.7039 578 D 4.7201 7.6371 117.6433 51.7017 42.6810 173.8310 579 P 3.7679 0.0000 0.0000 65.3651 31.4262 178.7043 580 A 3.8331 7.8722 119.9494 54.7717 18.3105 177.9574 581 T 4.1491 7.5508 103.9584 61.5605 69.3435 175.1862 582 L 3.3070 6.8238 123.2906 53.8255 42.3882 176.1925 583 P 4.4639 0.0000 0.0000 62.7148 30.3578 178.5131 584 W 4.8342 7.7211 120.2420 60.7115 29.4159 178.4335 585 G 3.5801 8.5619 106.1758 47.9633 0.0000 176.0944 586 K 4.0726 8.0636 119.6829 58.4956 32.1693 178.4623 587 L 4.3984 8.0481 117.2772 53.9667 42.6391 176.3179 588 G 3.6861 7.9116 106.6860 46.3455 0.0000 174.9694 589 V 3.6697 7.9481 120.0263 62.3874 32.2445 176.8645 590 D 4.3737 8.7857 128.7851 56.9090 42.2274 176.6415 591 I 4.9390 7.8775 118.6915 59.3611 41.2164 174.2463 592 A 4.6219 8.8685 129.6786 50.3613 20.9295 175.8435 593 V 4.3589 8.7949 124.3137 61.7928 33.2755 174.4703 594 D 5.2130 8.8938 130.0398 52.5574 42.3841 176.4450 595 S 5.6943 9.2448 123.8752 57.7839 62.9167 175.6015 596 T 4.2157 8.8818 113.0701 62.9006 69.3637 175.8281 597 G 3.9724 8.4916 108.5545 45.9366 0.0000 174.0730 598 V 4.1633 7.6981 110.7556 60.6054 33.8677 175.7033 599 F 5.0389 7.8543 117.3366 56.3108 39.1699 175.1955 600 K 4.3822 7.9729 117.4174 57.3129 34.0349 177.2344 601 E 4.6468 7.7620 119.9486 54.5083 32.6496 176.7681 602 L 4.0250 8.7282 120.9709 58.0828 41.4574 179.6007 603 D 4.4623 8.0870 117.1928 56.6186 39.6919 178.4022 604 S 4.3731 8.0877 115.5595 60.9105 63.0627 175.8076 605 A 4.3472 8.5983 124.3046 53.3624 17.9826 178.9891 606 Q 4.0582 7.8522 118.8025 58.6936 28.9808 178.0637 607 K 4.0920 7.7754 120.7997 59.2699 32.1251 178.7584 608 H 4.3459 7.8005 114.6323 58.7701 28.4738 178.0855 609 I 4.1842 7.8898 123.3525 63.9599 36.8907 177.9553 610 D 4.3483 8.0790 119.0299 57.3706 40.6601 178.3226 611 A 4.1076 8.3567 120.5604 52.8149 18.0531 178.4914 612 G 4.0839 7.9206 104.9331 44.7850 0.0000 173.6182 613 A 4.4924 8.4624 123.0592 51.3251 19.3116 178.7329 614 K 4.0065 8.9378 123.5218 59.1393 32.4037 177.2952 615 K 4.9482 8.9312 117.4874 54.6231 37.2193 175.0564 616 V 4.8633 9.2459 120.5480 61.2293 35.3060 174.1920 617 V 4.7941 8.6809 126.9774 61.2305 34.2967 174.0530 618 I 4.8703 9.1063 130.1182 59.6252 38.7357 176.6287 619 T 4.4335 8.6024 120.7084 60.4637 68.2167 173.8052 620 A 4.9793 7.6560 120.1229 51.2881 22.3744 175.6342 621 P 4.4550 0.0000 0.0000 62.9636 32.0888 175.8309 622 S 4.8011 8.4475 115.7746 56.4145 65.2456 174.1284 622A K 4.2065 9.2974 126.3879 58.5302 32.3166 178.0848 624 T 4.3338 8.0841 107.1583 62.7410 70.2585 175.2115 625 A 4.1921 7.8708 124.3445 50.6252 19.1217 175.1158 626 P 4.2963 0.0000 0.0000 63.2796 32.3156 175.3768 627 M 4.8727 8.2517 123.8149 54.3864 33.1785 175.5728 628 F 5.1161 8.9901 119.4724 55.8512 44.1630 174.1822 629 V 4.5557 9.3160 121.7744 60.5575 33.4104 175.2196 630 V 3.7851 8.4196 127.6071 64.7065 31.6040 175.9946 631 G 4.0199 9.5949 115.7283 45.3718 0.0000 173.2878 632 V 4.2685 8.1414 117.1940 64.1101 33.3872 177.3889 633 N 5.0251 7.8543 114.1453 53.2264 37.9585 175.8336 634 E 4.0522 8.4386 119.1639 59.5493 29.7703 178.0762 635 D 4.5945 8.0521 118.0744 56.0778 41.1220 176.7783 636 K 4.3689 8.1499 117.8825 56.3230 32.1562 176.1495 637 Y 3.9887 7.9199 122.2861 57.8016 38.8266 175.8941 638 N 4.3242 8.8864 129.3098 53.1711 39.4609 175.1101 638A G 3.4758 5.6813 102.9784 45.0839 0.0000 173.2800 *641 E 4.3413 7.6707 116.6254 56.0932 30.7439 176.0489 642 K 4.3303 8.5286 120.5301 58.2011 33.7964 176.3720 643 I 4.9951 7.9054 119.5620 59.6789 39.6978 175.3621 644 V 4.9318 9.0984 120.3717 59.5474 35.8851 174.7446 645 S 5.2075 9.1018 116.2649 56.6359 65.5722 173.5394 646 N 4.9769 9.0267 121.7594 52.1051 39.2213 176.4505 647 A 3.6740 8.0234 119.8768 52.8061 17.5265 177.4767 648 S 4.5334 8.1306 108.5237 56.5901 67.0983 174.7643 649 C 4.1748 7.7583 116.9878 61.6659 29.2547 176.1719 650 T 3.1421 7.6399 117.6261 66.6392 68.3118 176.6845 651 T 3.8173 7.6575 117.3494 66.6761 68.2189 176.2951 652 N 4.5099 8.1998 117.1720 55.4288 38.5918 176.5747 653 C 4.6152 7.0011 121.0955 61.0955 31.9942 175.0006 654 L 3.9898 7.7800 121.5812 58.0881 41.7127 178.2954 655 A 3.9817 8.2468 121.2179 55.1812 18.2399 177.9120 656 P 4.2022 0.0000 0.0000 65.6689 31.3645 179.0221 657 I 3.7495 7.7291 118.0823 64.2660 37.1050 178.0163 658 A 4.0134 8.3198 122.0065 54.9391 18.0689 179.5720 659 K 3.8487 8.2944 118.1729 59.7853 32.2929 178.9653 660 I 3.6569 7.6779 119.9707 64.6085 36.9770 178.6083 661 I 3.9800 7.9833 120.5611 64.4632 36.8430 178.0892 662 N 4.3867 8.6264 118.3783 56.7005 38.5288 176.7599 663 D 4.3102 8.2904 120.0931 57.0240 40.9723 177.8521 664 E 3.9521 7.6466 117.2198 57.3343 30.1670 177.2124 665 F 4.7369 8.4587 115.6826 55.8355 41.8008 174.7225 666 G 4.5052 8.4575 109.3406 46.6494 0.0000 172.2006 667 I 4.6300 8.3817 123.5359 59.1621 38.8102 175.3770 668 E 4.2540 9.4387 128.4434 58.3891 29.8954 176.6623 669 E 5.0693 7.7765 114.2961 55.9542 32.3658 175.0549 670 G 4.5355 8.9699 107.8624 44.5965 0.0000 171.0131 671 L 5.2970 8.9685 123.3403 53.2258 44.9688 175.0316 672 M 5.2578 9.1972 126.1262 54.2446 35.7369 174.4533 673 T 5.1415 8.7710 119.1300 62.1077 73.2680 172.6611 674 T 4.9348 8.6087 120.3857 60.2614 70.3919 172.6686 675 V 4.9338 8.4929 129.3232 61.8795 33.1192 174.1952 676 H 5.4182 9.2224 123.2448 53.7066 32.8605 173.3844 677 S 4.9421 8.3945 110.5342 57.8378 63.3374 174.4210 678 I 3.7504 8.1079 121.4966 62.2117 37.2887 175.5976 679 T 3.7439 8.4972 121.7010 63.9915 67.7501 173.4958 *700 S 4.0801 8.3960 120.7363 59.1297 64.0323 175.1836 701 G 3.9598 9.0018 110.8929 45.6575 0.0000 172.6297 702 N 5.0588 7.4486 115.7518 51.1896 41.6274 173.6656 703 I 4.6233 8.1976 121.1268 59.7827 39.2512 175.1321 704 I 4.7037 8.7812 128.2247 58.7761 39.9924 173.5420 705 P 5.5401 0.0000 0.0000 62.5404 32.6882 175.1978 706 S 4.6367 7.9814 114.2867 57.7907 66.2831 173.7890 707 S 4.9332 8.4227 115.8362 58.0468 64.6599 173.1426 708 T 4.4846 8.1052 112.4794 60.1607 69.7770 173.7092 709 G 3.9433 8.5018 112.3424 44.6870 0.0000 175.3856 710 A 4.2783 7.9169 124.2104 54.4405 18.6811 179.5670 711 A 4.0485 7.8068 118.5937 55.3049 18.6307 179.8093 712 K 4.1134 8.2706 117.6700 59.0151 32.1617 179.0672 713 A 3.9824 8.2942 121.2589 55.2248 18.0529 179.6763 714 V 3.7678 7.7603 116.4538 66.1724 31.6186 178.3224 715 G 3.6041 8.4245 105.3342 46.9561 0.0000 175.6294 716 K 4.1471 8.2785 120.5036 58.7143 32.3686 178.8356 717 V 4.1449 7.6229 110.2152 61.1990 33.4066 176.3249 718 L 4.7156 7.9553 118.9017 51.1913 42.3856 174.6670 719 P 4.5233 0.0000 0.0000 64.5827 31.7031 178.4723 720 E 4.0740 8.1977 114.0776 58.2422 29.7499 177.2327 721 L 4.5376 8.2523 119.1867 53.9752 42.3501 175.7576 722 Q 3.9989 7.7605 120.6033 57.9219 29.0762 177.2159 723 G 3.9187 8.8619 111.7317 46.1321 0.0000 173.6394 724 K 4.5892 8.4458 118.2321 56.0305 33.2191 175.7632 725 L 5.5476 7.4386 119.7417 53.3640 46.5460 174.8909 726 T 4.1580 7.6520 115.6488 62.0714 71.0184 171.4919 727 G 4.1542 8.1964 107.8811 46.5966 0.0000 170.4899 728 M 4.7621 7.5496 115.9207 54.5249 34.7491 173.2743 729 A 5.0867 8.6536 118.6094 50.5581 23.5507 175.5093 730 F 5.2206 9.0199 117.5910 55.7725 42.5681 174.2893 731 R 4.5700 9.5206 126.0501 55.5264 31.2644 175.6116 732 V 4.9091 8.6937 119.2966 58.6227 35.4911 174.7535 733 P 4.5419 0.0000 0.0000 61.7153 29.8308 174.1568 734 T 4.6751 7.2102 113.1615 60.0532 72.1107 174.0018 735 T 4.1545 8.1490 111.7381 61.7334 69.4215 174.3059 736 D 4.8012 8.3935 120.3302 54.5043 40.0407 176.5252 737 V 4.7489 7.7871 117.2778 61.3814 34.6415 174.5665 738 S 5.0687 8.6598 123.5627 56.6238 66.8807 172.9256 739 V 4.8285 8.5703 118.6933 60.3464 34.9965 174.3319 740 V 4.5384 8.9116 122.4681 61.3018 34.0343 173.9757 741 D 4.9043 9.3893 127.9801 52.4704 42.9389 173.5200 742 L 4.8846 8.8369 128.7905 53.5870 44.1950 175.0894 743 T 4.7567 8.9485 124.6526 62.3156 70.1218 174.0515 744 V 4.9224 8.5091 120.1160 59.3944 35.4705 175.2491 745 K 5.1303 8.9108 123.2505 55.0455 33.5615 176.3128 746 L 4.7520 8.7942 126.1469 54.7131 42.3685 177.7181 747 V 3.8859 8.5505 121.6454 65.5676 31.8438 176.3231 748 K 4.7774 7.9835 118.1780 54.2100 33.8443 176.3806 749 A 4.4456 8.6154 125.1041 52.7109 19.0155 176.5431 750 A 4.9055 8.9013 121.0548 51.1647 23.3364 176.1423 751 T 4.3543 8.7423 110.2247 60.2728 70.5574 175.5837 752 Y 4.1348 8.4142 122.0565 60.7082 38.6384 177.5058 753 D 4.4035 8.1360 119.7698 57.2838 41.0233 178.2975 754 E 4.0545 8.2659 119.2116 59.3664 29.5396 179.5098 755 I 3.7509 7.4426 119.4199 64.1784 37.1286 178.5464 756 K 3.8270 8.0049 119.2734 59.5119 31.9442 179.0674 757 A 3.9116 8.3042 121.0417 55.1816 17.7240 179.5173 758 A 3.8579 8.1254 119.0912 55.1896 18.4801 180.1064 759 V 3.3508 7.4634 116.4122 66.0102 31.4133 177.8455 760 K 3.2159 7.7067 119.6748 58.3926 32.0462 177.9852 761 K 3.9016 7.9133 119.5014 59.7518 31.6937 178.8778 762 V 3.6144 7.3631 117.3687 65.8666 31.4229 177.6557 763 S 4.5127 8.0351 114.2924 59.4541 62.8881 175.1293 764 E 4.6222 7.9460 120.8637 58.0156 30.9833 177.6819 765 G 4.0941 7.7875 111.7216 44.4017 0.0000 176.0461 766 K 4.0280 8.6721 120.7924 59.4488 32.4989 177.4544 767 L 4.4628 7.8727 117.4005 54.7203 41.6593 178.2537 768 K 4.2803 7.6144 121.9220 59.1812 32.2390 177.2506 769 D 4.5527 8.0687 115.6596 54.7278 41.8158 177.9835 770 V 3.7761 7.6928 118.9661 64.1033 32.1935 174.9851 771 V 4.6262 8.1565 123.1202 61.3880 32.6408 175.3489 772 G 4.0111 9.6709 117.2362 45.7899 0.0000 171.0479 773 Y 5.4778 8.2891 120.3763 56.5851 42.0281 173.6728 774 T 4.7666 8.2172 119.3324 60.9534 71.5716 173.4788 775 E 4.4850 8.6222 121.6845 55.9338 31.3787 175.6479 776 D 4.5781 7.9489 119.4392 53.0487 42.1530 175.8979 777 A 4.3643 8.2722 123.3918 51.4858 18.4500 177.1556 778 V 4.4264 8.1105 114.6976 60.1164 34.8682 175.6512 779 V 4.3105 8.1090 113.6941 59.1018 34.9288 177.1569 780 S 3.4845 8.5051 118.1490 61.6327 62.7438 177.0990 781 S 4.0758 7.9408 116.5779 60.7885 62.6887 176.1139 782 D 4.0333 7.5173 119.6352 56.5416 40.5691 177.2523 783 F 4.7897 7.7122 116.3795 56.7791 39.1969 175.3158 784 L 4.1584 7.5612 122.3241 56.4029 41.4934 177.8989 785 G 3.0222 10.0883 112.8328 44.9741 0.0000 173.1627 786 D 4.5074 8.1771 120.3344 54.5910 41.9273 176.0768 787 T 4.4846 8.5338 114.6098 62.1708 69.8364 174.5174 788 H 5.3033 9.1007 120.2612 55.6726 29.5430 176.2894 789 S 4.4839 9.2940 118.0120 61.5291 64.0307 174.3918 790 T 4.9709 7.7797 112.6432 60.8195 71.0528 172.6940 791 I 4.7219 8.6105 128.7806 59.0899 40.0031 174.6460 792 F 4.3972 9.4387 131.5739 58.4222 40.6029 173.5149 793 D 4.7382 8.3300 126.7860 52.4068 41.4110 176.5011 794 A 4.0993 8.3932 129.4368 55.1124 18.7271 178.9147 795 A 4.1499 8.0757 116.9342 55.1488 18.7341 178.7062 796 A 4.0565 9.0638 118.7382 55.0482 18.5567 178.1121 797 G 3.8661 7.2385 100.7214 45.9723 0.0000 173.1964 798 I 4.1301 8.2962 118.2844 59.5959 41.8669 172.7243 799 Q 4.7105 8.2313 129.6619 54.5382 30.4569 174.7390 800 L 4.2836 8.5980 128.7204 56.8529 42.8914 176.3349 801 S 4.7793 7.6259 110.6137 55.7110 66.3502 172.4971 802 P 4.5787 0.0000 0.0000 64.3961 31.2387 178.1117 803 K 4.6685 8.1252 114.9085 55.6251 33.0067 174.8899 804 F 5.6263 8.6480 122.8133 56.8873 42.0782 173.6404 805 V 4.6425 8.4745 124.9994 59.7084 35.5108 174.0536 806 K 4.8777 8.9097 124.1356 54.8118 34.0867 174.8456 807 L 5.1809 9.1558 127.4052 52.8925 45.2569 175.5220 808 V 4.7105 7.8104 120.6496 61.0469 34.9609 174.1281 809 A 4.9121 8.2961 128.1992 50.4187 22.7509 175.5424 810 W 5.2200 8.8927 122.8683 56.2205 31.7042 175.1613 811 Y 5.1637 8.7196 118.3023 55.9876 41.0416 173.4950 812 D 4.8301 9.0455 123.5494 54.2740 41.6033 175.9922 813 N 4.6387 9.2075 123.2523 56.0215 38.6294 175.8508 814 E 4.8068 9.7712 115.2388 56.1285 33.8617 177.3436 815 Y 3.9958 8.9906 116.6971 60.7756 38.0068 178.3895 816 G 4.0710 8.2361 107.5618 47.1810 0.0000 174.8764 817 Y 4.0891 8.1944 122.0613 60.6410 38.7500 178.3257 818 S 4.1440 8.6111 116.3510 61.9200 62.8663 176.9075 819 T 3.8823 7.8933 118.1539 66.5084 68.1393 176.9609 820 R 4.1127 7.7930 119.9830 58.7425 30.0680 179.1069 821 V 3.3848 7.3591 118.4390 65.8742 31.4743 178.3122 822 V 3.5470 7.4741 118.1368 65.8620 31.3416 177.7143 823 D 4.2979 7.9137 118.7753 57.3554 40.6945 178.5766 824 L 3.8551 8.3794 121.0842 57.8432 42.0994 179.1118 825 V 3.4508 7.6607 118.2432 66.2001 31.3013 178.0386 826 E 3.9751 7.9848 116.5787 59.3393 29.2707 178.5019 827 H 4.2649 7.8291 118.0094 58.8720 30.0121 176.9972 828 V 3.2470 7.5707 118.5614 64.3858 31.3917 176.1241 829 A 4.2295 7.4741 124.4093 52.7037 18.3761 176.8438 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 500 M 8.30 4.45 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 501 V 7.88 4.30 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 0.92 0.00 0.00 0.89 0.00 0.00 502 S 9.01 5.06 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 503 I 8.79 5.62 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.31 0.86 0.00 0.00 504 A 7.92 4.83 0.03 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 0.00 0.00 505 I 8.76 4.76 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 1.04 0.00 0.00 506 N 9.58 5.05 0.00 2.98 2.83 0.00 0.00 6.99 7.83 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 0.00 507 G 10.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 F 8.90 5.38 0.00 2.93 3.06 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 0.00 509 G 7.70 4.10 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 0.00 0.00 0.00 510 R 8.62 3.98 0.00 1.90 2.03 0.00 3.11 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 511 I 7.80 3.87 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 1.02 0.00 0.00 512 G 8.09 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 513 R 7.73 3.62 0.00 1.80 1.80 0.00 2.65 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 514 L 7.54 3.74 0.00 1.28 1.58 0.43 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 515 V 8.26 3.50 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 0.91 0.00 0.00 0.96 0.00 0.00 516 L 8.23 3.93 0.00 1.92 1.96 0.83 0.71 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 0.00 517 R 7.90 4.10 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 518 I 7.99 3.86 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.90 0.00 0.00 519 A 8.50 3.97 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 0.00 520 L 8.01 4.20 0.00 1.87 1.84 0.89 1.14 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 0.00 521 E 8.00 4.66 0.00 2.11 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 2.57 2.53 0.00 522 R 8.16 4.23 0.00 1.87 1.86 0.00 3.44 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 523 K 8.81 3.83 0.00 1.73 1.90 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 524 N 8.08 4.94 0.00 2.72 2.78 0.00 0.00 6.92 7.49 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 0.00 525 I 7.69 5.05 1.95 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 1.07 0.69 0.92 0.00 0.00 526 D 9.03 4.57 0.00 2.62 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 0.00 527 V 8.40 4.11 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 0.89 0.00 0.00 528 V 8.76 4.28 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 0.88 0.00 0.00 529 A 7.67 5.69 1.57 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 0.00 0.00 530 I 8.09 5.74 1.79 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.88 0.00 0.00 531 N 8.48 5.53 0.00 3.07 3.00 0.00 0.00 6.42 8.49 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 0.00 532 D 8.57 4.70 0.00 2.83 2.45 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 0.00 0.00 0.00 0.00 532A P 0.00 4.53 0.00 1.79 1.97 0.00 2.85 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 533 F 7.85 4.88 0.00 3.23 3.16 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 0.00 534 I 7.26 4.74 1.86 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 1.50 0.65 0.91 0.00 0.00 *536 S 8.09 4.92 0.00 4.12 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 0.00 537 V 8.01 3.57 1.94 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 0.82 0.00 0.00 0.80 0.00 0.00 538 D 7.94 4.29 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 Y 8.31 4.43 0.00 3.11 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 0.00 540 A 8.74 4.11 1.18 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 0.00 0.00 0.00 0.00 0.00 541 A 8.37 4.10 1.57 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 0.00 0.00 542 Y 8.39 4.14 0.00 3.49 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 M 8.88 4.27 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.74 0.00 544 F 8.29 4.02 0.00 3.40 3.20 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 0.00 545 K 8.12 3.93 0.00 1.84 1.50 0.00 1.30 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.57 0.21 7.81 546 Y 7.32 4.58 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 D 8.72 4.77 0.00 2.61 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 0.00 548 S 8.79 4.15 0.00 4.06 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 0.00 549 T 8.09 4.14 4.18 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 0.00 0.00 0.98 0.00 0.00 550 H 8.79 4.66 0.00 3.08 3.39 0.00 5.67 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 8.36 3.82 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 0.00 0.00 0.00 552 K 8.22 4.48 0.00 1.80 1.74 0.00 1.94 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.46 7.81 553 Y 8.62 4.12 0.00 2.53 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 K 8.23 3.85 0.00 1.44 1.67 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.29 7.81 555 G 6.02 3.69 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 0.00 0.00 0.00 556 E 8.84 4.79 0.00 2.02 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 2.26 2.28 0.00 557 V 8.51 5.64 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 0.96 0.00 0.00 1.05 0.00 0.00 558 S 8.15 4.72 0.00 3.85 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 0.00 559 H 8.20 4.94 0.00 3.36 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 D 8.21 4.72 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 G 9.16 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 0.00 562 S 8.12 4.46 0.00 3.74 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 0.00 563 N 9.06 5.07 0.00 2.73 2.56 0.00 0.00 6.53 6.54 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 0.00 564 L 9.03 4.48 0.00 1.69 1.34 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 565 I 8.96 4.78 1.89 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 1.22 0.86 0.92 0.00 0.00 566 I 8.75 4.74 1.85 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 1.08 0.00 0.00 567 N 10.29 4.34 0.00 2.90 2.94 0.00 0.00 7.22 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 0.00 568 G 8.59 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 0.00 0.00 0.00 569 K 8.13 4.25 0.00 1.83 1.78 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.52 7.81 570 K 8.62 4.71 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.40 7.81 571 V 8.95 4.39 1.94 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 0.81 0.00 0.00 0.89 0.00 0.00 572 A 8.53 4.88 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 0.00 573 V 7.41 4.69 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 0.61 0.00 0.00 0.76 0.00 0.00 574 F 8.89 4.92 0.00 3.18 2.81 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 0.00 575 Q 8.19 5.16 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 576 E 8.41 4.11 0.00 1.79 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 2.26 2.15 0.00 577 K 8.51 3.97 0.00 1.67 1.82 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.44 7.81 578 D 7.64 4.72 0.00 2.72 2.41 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 0.00 579 P 0.00 3.77 0.00 1.54 1.42 0.00 3.13 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.47 0.00 580 A 7.87 3.83 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 0.00 581 T 7.55 4.15 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 1.14 0.00 0.00 582 L 6.82 3.31 0.00 0.27 0.13 0.46 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 583 P 0.00 4.46 0.00 2.23 2.09 0.00 2.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 584 W 7.72 4.83 0.00 3.32 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 0.00 585 G 8.56 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.07 0.00 1.77 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 587 L 8.05 4.40 0.00 1.82 1.79 1.34 0.89 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 0.00 588 G 7.91 3.69 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 0.00 0.00 0.00 589 V 7.95 3.67 1.90 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 0.40 0.00 0.00 0.67 0.00 0.00 590 D 8.79 4.37 0.00 2.73 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 0.00 591 I 7.88 4.94 1.76 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 1.08 0.97 0.81 0.00 0.00 592 A 8.87 4.62 0.97 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 0.00 0.00 0.00 0.00 0.00 593 V 8.79 4.36 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 0.72 0.00 0.00 0.84 0.00 0.00 594 D 8.89 5.21 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 S 9.24 5.69 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 T 8.88 4.22 4.43 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 0.00 0.00 0.00 1.51 0.00 0.00 597 G 8.49 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 598 V 7.70 4.16 1.51 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 0.65 0.00 0.00 0.37 0.00 0.00 599 F 7.85 5.04 0.00 3.28 3.02 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 0.00 600 K 7.97 4.38 0.00 1.90 1.98 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.47 7.81 601 E 7.76 4.65 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 602 L 8.73 4.02 0.00 1.69 1.76 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 603 D 8.09 4.46 0.00 2.86 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 0.00 604 S 8.09 4.37 0.00 4.40 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 0.00 605 A 8.60 4.35 1.57 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 0.00 0.00 606 Q 7.85 4.06 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 607 K 7.78 4.09 0.00 1.58 1.72 0.00 1.55 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.51 7.81 608 H 7.80 4.35 0.00 3.41 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 I 7.89 4.18 2.22 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 1.59 1.80 0.98 0.00 0.00 610 D 8.08 4.35 0.00 2.76 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 0.00 611 A 8.36 4.11 1.22 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 0.00 0.00 612 G 7.92 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 0.00 613 A 8.46 4.49 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 0.00 614 K 8.94 4.01 0.00 1.83 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.56 7.81 615 K 8.93 4.95 0.00 1.58 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.37 7.81 616 V 9.25 4.86 2.13 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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0.00 2.96 3.10 0.00 0.00 5.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 E 8.44 4.05 0.00 1.90 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 2.14 1.98 0.00 635 D 8.05 4.59 0.00 2.73 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 0.00 636 K 8.15 4.37 0.00 2.15 2.01 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.60 7.81 637 Y 7.92 3.99 0.00 2.44 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 0.00 638 N 8.89 4.32 0.00 2.55 2.62 0.00 0.00 7.33 7.72 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 638A G 5.68 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *641 E 7.67 4.34 0.00 2.26 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 0.00 2.34 2.39 0.00 642 K 8.53 4.33 0.00 1.76 1.89 0.00 1.63 0.00 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0.00 0.00 0.00 778 V 8.11 4.43 1.74 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 0.80 0.00 0.00 0.75 0.00 0.00 779 V 8.11 4.31 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 0.68 0.00 0.00 0.78 0.00 0.00 780 S 8.51 3.48 0.00 4.07 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 0.00 781 S 7.94 4.08 0.00 3.77 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 0.00 782 D 7.52 4.03 0.00 1.61 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 0.00 783 F 7.71 4.79 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 784 L 7.56 4.16 0.00 1.61 1.52 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 785 G 10.09 3.02 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 0.00 786 D 8.18 4.51 0.00 2.92 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 0.00 787 T 8.53 4.48 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 788 H 9.10 5.30 0.00 3.37 3.64 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 S 9.29 4.48 0.00 3.88 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 0.00 790 T 7.78 4.97 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 1.28 0.00 0.00 791 I 8.61 4.72 1.40 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.35 0.86 0.00 0.00 792 F 9.44 4.40 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 793 D 8.33 4.74 0.00 2.87 2.44 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 0.00 794 A 8.39 4.10 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 0.00 795 A 8.08 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 796 A 9.06 4.06 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 797 G 7.24 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 0.00 798 I 8.30 4.13 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.06 0.78 0.00 0.00 799 Q 8.23 4.71 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 800 L 8.60 4.28 0.00 1.66 1.81 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 801 S 7.63 4.78 0.00 4.03 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 0.00 802 P 0.00 4.58 0.00 2.22 2.20 0.00 3.84 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 2.14 2.12 0.00 803 K 8.13 4.67 0.00 1.82 1.81 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.41 7.81 804 F 8.65 5.63 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 805 V 8.47 4.64 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 0.70 0.00 0.00 1.08 0.00 0.00 806 K 8.91 4.88 0.00 1.61 1.69 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.39 7.81 807 L 9.16 5.18 0.00 1.64 1.71 1.06 1.04 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 0.00 808 V 7.81 4.71 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.73 0.00 0.00 809 A 8.30 4.91 1.20 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 0.00 0.00 810 W 8.89 5.22 0.00 2.62 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 811 Y 8.72 5.16 0.00 3.06 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 0.00 812 D 9.05 4.83 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 N 9.21 4.64 0.00 2.70 2.93 0.00 0.00 6.75 7.38 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 0.00 814 E 9.77 4.81 0.00 2.05 1.92 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 2.29 2.34 0.00 815 Y 8.99 4.00 0.00 3.22 3.18 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 0.00 0.00 0.00 816 G 8.24 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 0.00 0.00 0.00 0.00 817 Y 8.19 4.09 0.00 3.17 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 0.00 818 S 8.61 4.14 0.00 3.80 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 0.00 819 T 7.89 3.88 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 1.21 0.00 0.00 820 R 7.79 4.11 0.00 1.82 1.86 0.00 3.27 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 821 V 7.36 3.38 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 0.90 0.00 0.00 0.56 0.00 0.00 822 V 7.47 3.55 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 0.94 0.00 0.00 0.92 0.00 0.00 823 D 7.91 4.30 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 824 L 8.38 3.86 0.00 1.72 1.70 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 825 V 7.66 3.45 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 0.89 0.00 0.00 0.94 0.00 0.00 826 E 7.98 3.98 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 2.30 2.42 0.00 827 H 7.83 4.26 0.00 3.12 3.32 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 V 7.57 3.25 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.24 0.00 0.00 829 A 7.47 4.23 1.27 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.