NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 531 L 4.3513 8.2845 120.7685 54.5418 43.2014 179.2741 532 S 4.4943 8.0041 114.1624 58.5299 62.9748 176.2516 533 T 4.4320 8.2273 116.9014 63.9660 69.2981 179.7829 534 L 4.2551 7.7467 125.0473 58.7982 40.7508 181.2648 535 V 4.1637 7.8944 119.2346 66.8652 31.3215 178.6439 536 K 4.0821 7.6129 124.2776 60.6446 31.6407 181.7694 537 S 4.6168 7.3907 118.3794 61.4415 62.2767 175.1183 538 G 3.8600 6.9328 107.9997 43.8562 0.0000 173.7467 539 V 3.6924 8.1826 127.1122 61.7968 31.9930 174.1127 540 P 4.2796 0.0000 0.0000 62.8186 32.3193 176.6692 541 E 3.5934 8.9299 122.0879 59.5843 29.3731 179.2309 542 A 4.0189 7.7769 117.5849 53.8522 18.7883 178.2556 543 L 4.2639 7.5278 116.5933 55.2628 42.1743 178.8611 544 R 3.3500 7.2486 118.4919 59.2343 29.9826 177.8893 545 A 3.7872 7.8255 121.6377 56.7837 18.1271 180.0178 546 E 4.1114 7.9956 116.9353 61.6378 30.2060 182.4875 547 V 3.9178 8.0150 120.8230 65.5490 31.4308 180.5584 548 W 4.5782 8.5565 118.9905 59.8343 29.0417 178.3564 549 Q 4.2151 7.6470 115.2003 59.1053 28.3117 178.3597 550 L 4.1732 7.6353 118.5384 58.1559 41.8564 179.2838 551 L 4.2968 7.6495 116.2968 57.1451 41.7151 178.9310 *563 R 4.4432 7.8433 117.6852 56.2780 32.1997 181.6831 564 Y 4.0679 8.0659 120.8559 61.0213 38.5379 179.5271 565 R 3.9783 8.0106 120.6131 61.0232 29.6747 182.3652 566 I 4.2721 7.4854 117.5819 62.1167 37.8616 177.2260 567 L 4.3045 7.2270 118.7313 56.1745 41.7312 178.5465 568 I 3.7359 7.1804 111.8905 63.3684 37.6624 177.2699 569 T 3.8917 7.7691 112.8590 64.7371 69.0539 175.8505 570 K 4.1242 7.3393 123.5114 54.7698 32.2630 180.0510 571 D 4.8027 8.2457 118.0016 53.3631 40.7566 177.3614 572 S 4.5639 8.1162 112.1982 57.6789 65.7806 174.0661 573 A 4.0924 8.9742 131.1695 55.9432 18.5032 179.7594 574 Q 4.6777 8.0115 119.4888 58.4142 28.9746 180.5738 575 E 4.2589 8.4489 126.5350 62.2485 29.4532 181.7206 576 S 4.3980 8.0973 120.4639 64.2339 62.3486 180.9281 577 V 3.9119 7.7309 122.9533 65.9035 31.4218 180.1928 578 I 3.6342 7.5483 122.5365 64.6898 36.9631 179.3985 579 T 3.8556 7.7710 117.5686 66.5609 68.1482 180.2452 580 R 4.1195 7.3097 122.0166 61.4208 29.8056 179.9037 581 D 4.6461 7.6023 118.5879 57.3532 40.8454 179.2736 582 I 3.6337 7.7253 122.3883 65.3161 36.8937 178.8363 *583 H 4.2852 8.0325 120.5651 59.6054 27.7299 179.1954 584 R 4.9013 7.3457 118.1776 57.6402 29.7272 180.0405 585 T 4.4320 7.4136 119.1390 65.1077 69.4009 176.5131 *586 F 3.7837 8.6770 127.8941 57.2519 34.7909 171.5883 587 P 4.6258 0.0000 0.0000 65.1234 32.2556 179.0751 588 A 4.1313 8.0699 121.6418 54.8995 18.7887 177.5632 589 H 4.2740 8.1896 117.3186 56.8011 30.3588 176.6363 590 D 4.5677 8.5241 124.6550 55.6228 40.0463 175.3929 591 Y 4.4431 8.2048 118.2624 60.2188 39.1029 176.2849 592 F 4.9182 7.8238 117.6883 57.6881 39.5763 177.4556 593 K 4.3786 8.1905 125.5953 57.4846 32.0147 182.5869 594 D 4.7148 8.0920 121.7552 53.0264 40.4169 180.1353 595 T 4.4458 8.1808 116.4402 61.5021 68.6891 171.9381 596 G 4.1624 7.9589 108.0822 45.5022 0.0000 173.4583 597 G 3.8950 7.9583 111.8054 44.6911 0.0000 175.9930 598 D 4.4515 8.4298 117.0949 54.9925 40.5775 178.2644 599 G 2.6362 7.6161 105.6109 47.6415 0.0000 175.8924 600 Q 4.1877 8.0625 123.2756 59.1466 28.8137 179.3619 601 E 4.0787 8.0663 121.6919 61.8843 29.5914 182.0637 602 S 4.4512 7.6738 119.6206 63.0145 62.3551 178.2143 603 L 4.3342 8.2706 126.3800 58.7261 41.9043 179.2513 *604 Y 3.9660 8.0171 120.9060 62.1558 36.9531 181.2230 605 K 4.2835 8.1058 120.4950 59.0036 31.9545 179.7420 606 I 4.0675 7.6124 120.3920 64.7640 36.8588 178.2759 607 C 4.5188 8.1797 118.9358 63.1738 28.3656 176.6379 608 K 4.1346 8.0745 124.9473 59.7521 31.3446 181.1455 609 A 4.2128 7.9597 122.1136 55.3376 18.2398 179.1978 610 Y 4.2122 8.5020 120.2284 61.4413 38.6229 178.9027 611 S 4.5159 8.2239 121.2768 63.3602 62.3114 180.6109 612 V 4.1913 7.6231 119.7245 65.7588 32.1606 180.8700 613 Y 4.5271 7.6703 119.3420 59.4463 37.3527 176.2505 614 D 4.3410 7.4091 124.0053 54.1291 41.2160 177.0562 615 E 4.2868 8.6833 125.9982 58.8201 30.5157 174.8557 616 D 4.5469 8.4068 118.9312 56.2615 40.3462 180.4324 617 I 4.2764 7.7682 114.7737 60.6401 38.2377 178.5488 618 G 3.9105 7.2706 106.5919 44.8693 0.0000 171.7812 619 Y 4.4700 8.4944 121.3405 56.7695 39.8070 175.4649 620 C 4.6415 7.5519 126.1098 57.8996 31.1113 173.4958 621 Q 4.3215 8.9276 122.3166 57.4375 27.9595 172.8795 622 G 3.7955 9.2640 116.9890 45.3908 0.0000 175.4292 623 Q 3.9229 7.8167 120.7097 58.9107 28.4446 179.4053 624 S 4.2897 8.3277 115.0918 61.3354 62.6551 176.7537 625 F 4.3307 7.8039 121.4239 60.4676 38.7358 177.2778 626 L 3.9957 8.0689 119.1251 58.1408 41.9239 178.4825 627 A 4.0376 8.1437 120.4957 55.3297 18.2430 179.5275 628 A 4.1062 8.5219 119.6267 55.2117 18.1771 179.9829 629 V 3.9007 8.0070 116.0948 66.3366 31.9777 178.0405 630 L 4.5942 8.2723 118.7365 57.8962 41.3253 179.2591 631 L 4.1800 8.2800 119.3031 57.8972 42.1067 178.6259 632 L 4.0829 7.8691 117.5608 56.6565 41.5848 177.7193 633 H 4.5661 7.4998 113.1311 54.4007 30.2999 171.7719 *635 P 4.2132 0.0000 0.0000 62.5465 32.5910 177.7646 636 E 4.0948 9.1461 122.6120 62.1241 29.4492 180.7614 637 E 3.7315 8.0415 118.9176 61.0561 29.8632 181.0081 638 Q 4.2052 8.0239 118.7168 58.2711 28.7544 178.1674 639 A 4.0393 8.5301 122.4919 55.4934 18.3478 179.5019 640 F 4.0612 7.8394 118.3263 61.4707 39.2880 177.2083 641 C 4.0432 8.0732 118.4092 63.3860 28.0501 176.9027 642 V 3.6612 7.8529 123.4948 66.5129 30.9953 180.4787 643 L 4.0375 7.8301 122.5902 59.3859 40.7110 181.1972 644 V 3.8584 7.5689 120.7515 66.3027 31.5953 178.4187 645 K 4.1858 8.0739 123.6525 59.9013 30.9410 180.8047 646 I 4.2518 7.8191 120.6956 62.8196 36.7031 178.3847 *648 Y 4.6482 7.8435 118.5191 57.1695 38.9993 180.3008 649 D 4.5534 8.0817 120.1533 56.5013 41.1479 177.3371 650 Y 4.1992 8.2197 114.9549 57.7378 38.5034 176.2307 651 G 3.9220 7.9073 106.7711 46.3152 0.0000 175.5668 652 L 4.0611 8.0188 124.8239 58.5933 42.0872 179.1713 653 R 4.2301 8.2753 120.0922 61.9458 28.6577 179.9423 654 D 4.6442 7.9445 117.4093 57.5003 40.7055 178.9319 655 L 3.9528 8.0865 119.3356 57.5108 41.4777 178.8216 656 Y 3.5542 8.1258 119.2137 59.5857 38.2048 176.8749 657 R 4.0229 7.2705 119.5812 58.4338 30.2615 179.6715 658 N 4.1872 9.2638 117.8589 52.8610 34.6845 171.3647 659 N 4.2334 8.3616 109.9515 55.3994 37.5182 173.1029 660 F 4.5422 7.6769 109.7705 58.0830 37.2619 177.9134 661 E 4.0346 7.9675 123.1369 59.7000 29.4162 177.4567 662 D 4.2873 7.9491 118.2880 56.6147 40.8651 178.2693 663 L 3.3037 7.5444 120.6831 58.4118 42.0860 178.6883 664 H 4.0907 7.4414 115.7916 58.7339 28.4922 177.4473 665 C 2.7826 7.3733 120.7426 61.9854 31.3717 175.7629 666 K 4.1489 7.5458 121.4832 58.7031 31.4222 179.3303 667 F 4.4621 7.6372 118.2480 60.8296 38.7728 177.0182 668 Y 4.1589 7.8035 118.6502 60.8323 38.4201 177.9946 669 Q 3.8729 8.3793 119.0909 58.9342 28.6139 178.7309 670 L 4.3886 8.1237 120.1831 58.2500 42.2710 178.6318 671 E 4.2132 8.0736 117.3816 59.6254 29.6938 179.2144 672 R 3.6695 7.6088 118.1801 58.7839 29.8367 179.8885 673 L 4.2345 7.7790 116.9315 55.2365 41.3268 178.8702 *675 Q 3.9892 8.1776 124.2720 56.7551 30.7116 176.8592 676 E 4.1610 7.9998 112.6511 58.3700 29.9883 179.6574 677 Q 4.4918 8.0228 116.9694 56.4403 30.5387 176.1389 678 L 4.8012 7.3503 116.7365 51.9758 42.0241 175.0357 679 P 4.3179 0.0000 0.0000 65.5545 32.0079 178.0700 680 D 4.3658 8.1818 118.3339 57.5913 40.6718 178.7779 681 L 3.7689 7.6967 119.7354 58.1859 42.2919 178.1811 682 H 4.0695 8.5145 118.6623 59.5009 29.7978 177.4105 683 S 4.1654 8.4048 117.1801 61.7484 62.6061 176.2571 684 H 4.2097 8.0549 120.4417 59.4577 29.6355 177.4549 685 F 4.5317 8.6705 119.7639 60.5815 38.3597 177.8992 686 S 4.1906 8.0317 114.9724 61.5288 62.4675 175.9886 687 D 4.4973 7.9995 119.8710 55.9464 40.7703 177.5648 688 L 4.4370 7.6569 117.3288 53.3559 42.8712 175.6462 689 N 4.0608 7.6222 115.4136 54.1550 36.5212 175.1068 690 L 4.5754 8.2066 120.5007 53.6997 41.8205 174.9939 691 E 4.6868 8.2905 125.5948 54.4177 31.3941 177.3003 692 A 2.5800 8.8916 125.4577 55.3545 18.6405 179.6866 693 H 2.7620 6.4371 112.2059 54.7352 27.4236 176.0023 *695 Y 4.1171 7.8233 117.8320 57.3059 40.0078 175.9874 696 A 3.0865 6.5923 120.9616 51.3261 19.2504 178.5133 697 S 4.2905 7.2380 113.0319 61.8709 62.6501 176.1950 698 Q 4.0612 7.8491 120.0717 58.3751 28.3107 178.4177 699 W 3.4940 7.8704 119.7706 59.7999 28.8142 178.3680 700 F 3.9836 7.6360 115.5644 60.3671 38.4176 177.6212 701 L 4.0999 7.8319 117.9510 57.1936 41.9242 178.5918 702 T 4.4236 8.0644 107.2208 60.2846 69.4675 174.3799 703 L 3.3153 8.2379 120.6016 56.2660 39.8878 175.6597 704 F 4.0337 7.8257 114.6769 58.1254 37.1390 177.2356 705 T 4.0884 7.7628 110.1839 63.4399 68.8242 175.8447 706 A 2.7800 7.8636 125.2191 54.2938 18.6329 178.3361 707 K 4.2319 7.9629 112.8091 56.6408 33.7689 177.0515 708 F 4.6296 7.8733 116.4896 54.8385 40.5030 173.9469 709 P 4.3191 0.0000 0.0000 62.8678 31.8607 176.4086 710 L 3.7067 8.6448 122.5055 58.2640 41.4036 179.8589 711 C 3.8384 7.8322 110.7273 59.3730 29.7775 175.7598 *713 V 3.8769 7.8186 115.4718 62.0603 33.4584 177.7435 714 F 4.8386 8.4722 118.9450 61.2634 38.7667 177.4126 715 H 4.5017 8.0755 115.4764 58.9691 28.4817 177.9089 716 I 3.6963 7.7151 121.1886 64.3783 36.8863 178.4112 717 I 3.5541 7.9118 120.7901 63.9694 36.9127 177.7657 718 D 4.5295 8.0351 119.4006 57.9049 40.7406 179.2677 719 L 4.0448 7.8772 118.6888 57.5462 41.6395 178.7170 720 L 4.0037 8.2377 120.6603 58.6758 41.6824 179.0438 721 L 3.6468 7.6925 118.4334 58.0805 41.6289 178.9190 722 C 4.3364 7.9298 117.9132 61.4675 31.7108 174.3430 723 E 4.5385 8.6727 118.6617 56.3903 29.7837 177.1817 724 G 4.0803 8.8421 109.3459 44.9386 0.0000 174.2727 725 L 4.0966 8.5365 116.9692 57.7494 41.4746 178.7776 726 N 4.9004 8.3700 115.0828 55.3331 38.4405 176.7941 727 I 3.7572 7.6545 121.8248 64.3189 37.0811 178.1323 728 I 3.7385 7.8963 120.9174 64.1840 36.7974 178.4031 729 F 4.3555 8.0091 118.8409 60.9082 38.8128 177.1504 730 H 4.1214 8.4973 115.3379 59.1206 28.4750 177.8896 731 V 3.3332 8.0305 119.6503 65.6506 31.2158 177.8262 732 A 3.6094 8.0308 120.5617 55.1926 18.2228 179.6167 733 L 4.0214 8.1215 117.2141 57.9416 41.7002 179.6891 734 A 4.0173 8.0427 120.7660 54.9310 18.0113 179.7671 735 L 3.9403 8.0711 117.8746 57.9464 41.4932 179.6781 736 L 4.2086 8.1015 117.9814 57.7786 41.5812 179.2247 737 K 4.0926 8.5047 119.9725 59.8603 31.9737 178.8784 738 T 4.2240 8.0304 114.3103 65.2758 68.6839 175.5077 739 S 4.7233 7.5866 115.8308 58.0042 63.7606 175.4557 740 K 3.7513 7.9247 125.4842 60.5019 31.1826 179.0910 741 E 3.8986 8.0073 117.5595 61.3775 29.2276 180.5222 742 D 4.4276 7.7375 119.7035 56.9466 40.6457 178.6894 743 L 3.8197 7.3330 118.5795 57.2580 41.6807 179.0998 744 L 3.8252 7.9173 119.1369 57.1284 41.6062 178.6893 745 Q 4.1139 7.4575 114.6017 56.6471 29.3391 176.2079 746 A 4.2235 6.7568 123.5632 51.7975 19.5774 177.5849 747 D 4.9002 8.1530 120.7043 52.1174 43.2159 176.4340 748 F 4.0727 8.8936 122.1746 62.6980 39.2488 177.9029 749 E 4.0014 8.4266 117.2415 61.0886 29.5613 181.2403 750 G 3.8037 8.4614 106.6887 47.6163 0.0000 175.6693 751 A 3.8320 8.4439 123.5834 54.6446 18.3971 179.7702 752 L 3.9968 7.4619 117.3120 57.7419 41.7223 179.4449 753 K 3.8282 8.0748 119.6005 59.5348 32.0718 178.2527 754 F 3.8625 8.4885 121.0963 61.5188 39.0383 177.0289 755 F 4.5745 8.0100 115.7757 60.6881 38.7834 177.2222 756 R 4.2314 8.0183 119.5160 58.8136 30.0871 178.2039 757 V 4.1154 7.9444 116.9197 64.9247 32.3859 179.9793 758 Q 4.1063 7.4603 118.4217 57.9500 28.6742 178.3383 759 L 3.7978 7.4891 121.4580 57.7532 42.1588 177.3638 760 P 4.3049 0.0000 0.0000 65.8462 30.9984 179.2761 761 K 3.9402 7.4034 122.9899 59.7071 31.3246 182.3017 762 R 4.1285 7.4526 115.7633 57.7786 29.7812 176.6783 763 Y 4.8823 7.1617 115.5968 57.6403 39.1858 177.0796 764 R 3.9903 7.9045 122.0534 58.5692 30.6916 177.7956 765 A 4.5223 7.6766 119.3781 50.7599 21.2313 177.6121 766 E 4.0189 8.8204 126.1278 60.0935 29.8921 179.9452 767 E 4.0249 8.1627 117.9053 61.1796 29.8146 180.7540 768 N 4.6421 8.1829 116.3836 56.0780 38.4488 177.3281 769 A 4.0186 7.9532 123.5620 55.7092 18.5780 180.0438 770 R 3.8460 7.9617 118.2702 61.8899 29.7292 180.4235 771 R 4.3065 8.0645 118.7493 59.0050 29.9689 179.3699 772 L 4.1856 7.5983 116.7408 55.5917 41.6070 178.1360 *774 E 4.1940 8.0900 118.8094 55.8716 31.2175 177.8347 775 Q 3.9873 8.3799 116.3646 58.8481 28.8136 178.3097 776 A 4.1162 8.1898 122.0375 55.4257 18.1793 179.5223 777 C 4.1872 7.9454 113.7413 62.5735 28.4169 175.0888 778 N 4.5744 7.7474 116.0032 53.4391 38.7529 175.2888 779 I 4.1294 6.8669 122.2149 60.3830 38.2034 175.2452 780 K 4.4928 8.3881 123.6078 55.0906 33.2702 177.2144 781 V 4.2762 7.8626 122.7418 59.5153 32.0057 172.9066 782 P 4.4827 0.0000 0.0000 61.6920 33.5760 176.7979 783 T 3.9484 8.5713 114.4323 65.3326 68.7539 177.6581 784 K 3.9263 7.8767 126.1948 59.6657 31.8006 182.5800 785 K 3.7934 7.7401 119.4811 58.9496 32.0210 179.3942 786 L 3.9029 7.6474 121.3130 58.0827 41.3450 180.3851 787 K 4.0295 7.9873 123.8705 59.4808 31.6529 181.9644 788 K 4.0712 7.7025 120.8405 59.6567 32.0376 178.5954 789 Y 4.5654 7.5296 116.9997 60.8832 37.8655 177.3529 790 E 4.0978 8.9789 123.2396 60.2529 29.6581 179.9456 791 K 4.0993 8.4269 123.5985 59.7597 31.5763 180.5382 792 E 4.2010 8.1360 119.0593 59.6930 29.5034 178.8067 793 Y 3.8204 7.9260 118.2030 60.7675 39.0503 177.5583 794 Q 4.2484 8.3111 119.9015 59.2859 28.7429 179.3558 795 T 4.0705 7.7504 114.9104 64.2805 68.2542 179.6234 *797 R 4.1835 7.9682 125.7736 57.3558 30.1722 178.6892 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 531 L 8.28 4.35 0.00 1.68 1.65 0.92 0.49 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 0.00 532 S 8.00 4.49 0.00 3.71 3.76 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 0.00 533 T 8.23 4.43 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 0.00 534 L 7.75 4.26 0.00 1.64 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 535 V 7.89 4.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 536 K 7.61 4.08 0.00 2.02 1.72 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.33 7.81 537 S 7.39 4.62 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 G 6.93 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 0.00 539 V 8.18 3.69 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 0.71 0.00 0.00 1.00 0.00 0.00 540 P 0.00 4.28 0.00 2.15 1.93 0.00 3.63 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 2.09 2.07 0.00 541 E 8.93 3.59 0.00 2.01 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 2.33 2.28 0.00 542 A 7.78 4.02 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 0.00 543 L 7.53 4.26 0.00 1.78 1.62 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 544 R 7.25 3.35 0.00 1.08 0.66 0.00 2.46 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.00 545 A 7.83 3.79 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 0.00 546 E 8.00 4.11 0.00 1.99 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 2.31 1.94 0.00 547 V 8.01 3.92 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 0.76 0.00 0.00 0.93 0.00 0.00 548 W 8.56 4.58 0.00 3.23 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 0.00 549 Q 7.65 4.22 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 550 L 7.64 4.17 0.00 1.94 1.82 0.96 1.12 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 2.35 2.39 0.00 3.49 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 588 A 8.07 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 H 8.19 4.27 0.00 3.44 3.44 0.00 5.60 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 D 8.52 4.57 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 Y 8.20 4.44 0.00 2.80 2.48 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 0.00 592 F 7.82 4.92 0.00 3.34 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 0.00 593 K 8.19 4.38 0.00 1.77 1.73 0.00 1.69 0.00 0.00 2.40 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 0.96 7.81 594 D 8.09 4.71 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.72 0.00 0.00 732 A 8.03 3.61 1.49 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 0.00 733 L 8.12 4.02 0.00 1.97 1.77 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 734 A 8.04 4.02 1.28 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 0.00 0.00 735 L 8.07 3.94 0.00 1.71 1.76 -0.15 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 736 L 8.10 4.21 0.00 1.86 1.83 1.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 737 K 8.50 4.09 0.00 1.94 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 738 T 8.03 4.22 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 739 S 7.59 4.72 0.00 4.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 740 K 7.92 3.75 0.00 1.99 1.77 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.39 7.81 741 E 8.01 3.90 0.00 2.01 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 0.00 2.32 1.97 0.00 742 D 7.74 4.43 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 L 7.33 3.82 0.00 1.45 1.74 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 744 L 7.92 3.83 0.00 1.46 1.58 0.84 0.78 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 0.00 745 Q 7.46 4.11 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 746 A 6.76 4.22 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 0.00 747 D 8.15 4.90 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 748 F 8.89 4.07 0.00 3.09 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 0.00 749 E 8.43 4.00 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.95 0.00 750 G 8.46 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 751 A 8.44 3.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 752 L 7.46 4.00 0.00 1.66 1.63 0.28 0.80 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 0.00 753 K 8.07 3.83 0.00 1.93 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 754 F 8.49 3.86 0.00 3.14 2.94 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 0.00 755 F 8.01 4.57 0.00 3.32 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 0.00 756 R 8.02 4.23 0.00 2.11 1.94 0.00 3.22 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 757 V 7.94 4.12 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 0.88 0.00 0.00 0.93 0.00 0.00 758 Q 7.46 4.11 0.00 1.21 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 759 L 7.49 3.80 0.00 1.73 1.95 1.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 760 P 0.00 4.30 0.00 1.87 1.33 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.08 0.00 761 K 7.40 3.94 0.00 1.93 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 762 R 7.45 4.13 0.00 1.16 1.18 0.00 3.07 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 763 Y 7.16 4.88 0.00 3.01 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 0.00 764 R 7.90 3.99 0.00 1.72 1.98 0.00 3.12 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 765 A 7.68 4.52 1.26 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 0.00 0.00 766 E 8.82 4.02 0.00 2.13 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 2.42 2.48 0.00 767 E 8.16 4.02 0.00 2.01 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 0.00 2.31 1.97 0.00 768 N 8.18 4.64 0.00 2.97 3.03 0.00 0.00 7.04 7.81 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 0.00 769 A 7.95 4.02 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 0.00 770 R 7.96 3.85 0.00 1.90 1.87 0.00 3.30 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 771 R 8.06 4.31 0.00 1.99 2.05 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 772 L 7.60 4.19 0.00 1.67 1.54 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *774 E 8.09 4.19 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 775 Q 8.38 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 776 A 8.19 4.12 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 0.00 777 C 7.95 4.19 0.00 3.09 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 0.00 778 N 7.75 4.57 0.00 2.66 2.87 0.00 0.00 7.03 7.34 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 0.00 779 I 6.87 4.13 2.03 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 1.29 0.66 0.90 0.00 0.00 780 K 8.39 4.49 0.00 1.73 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.35 7.81 781 V 7.86 4.28 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 0.72 0.00 0.00 0.81 0.00 0.00 782 P 0.00 4.48 0.00 2.13 1.91 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 783 T 8.57 3.95 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 1.21 0.00 0.00 784 K 7.88 3.93 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.10 7.81 785 K 7.74 3.79 0.00 1.58 1.41 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.42 7.81 786 L 7.65 3.90 0.00 1.75 1.60 0.78 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 787 K 7.99 4.03 0.00 1.77 1.81 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 788 K 7.70 4.07 0.00 1.68 1.62 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 789 Y 7.53 4.57 0.00 3.08 2.96 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 0.00 790 E 8.98 4.10 0.00 2.24 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 2.38 2.40 0.00 791 K 8.43 4.10 0.00 1.79 1.80 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 792 E 8.14 4.20 0.00 2.51 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 793 Y 7.93 3.82 0.00 3.00 3.17 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 0.00 794 Q 8.31 4.25 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.30 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 795 T 7.75 4.07 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 *797 R 7.97 4.18 0.00 1.85 1.77 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.