NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 537 G 4.0011 8.3549 109.7439 44.7415 0.0000 173.5384 538 E 4.3123 8.9132 121.7209 53.6047 30.5649 175.0079 539 I 4.5875 7.8684 111.0173 60.3437 39.9721 175.9810 540 N 4.5673 8.0392 120.6520 52.6174 36.5476 176.1799 541 G 3.9466 8.1317 118.0628 46.1647 0.0000 170.4534 542 P 4.2066 0.0000 0.0000 65.8013 31.2358 177.8432 543 E 3.9774 8.1798 117.7533 59.3469 29.5865 178.8802 544 S 4.1429 8.1481 114.3224 61.3987 62.9504 176.6257 545 V 3.5984 7.5558 121.5560 65.5983 31.3326 177.8079 546 L 3.9941 7.8036 119.5022 58.2123 41.9696 178.8682 547 V 3.7879 8.0533 118.2953 66.4970 31.3936 177.8358 548 N 4.4766 8.7755 116.3513 56.3434 38.2858 177.6956 549 T 4.0969 8.0916 117.4115 67.0754 68.5522 176.3599 550 Y 4.4409 7.9974 118.1069 61.0793 37.5422 178.3981 551 Q 4.3879 8.6499 120.8275 58.1614 28.8671 178.7259 552 W 4.1842 8.7449 129.5856 60.6172 30.5651 178.0094 553 I 3.9708 8.2403 118.4380 64.5803 36.8663 178.2014 554 I 3.9292 8.1662 120.6569 64.6360 36.7736 178.8297 555 R 4.0198 8.2127 117.7502 58.2902 29.9377 177.8882 556 N 4.6606 7.5050 114.8053 52.6444 38.9587 176.4936 557 W 4.3223 7.9079 133.4507 60.7701 30.5359 177.7602 558 E 3.8212 8.0737 116.5779 58.5638 29.1341 178.6081 559 T 4.0931 7.4291 115.5225 65.7789 69.2287 176.8235 560 V 3.5955 7.6465 120.5404 65.9226 31.6156 178.1242 561 K 3.3151 7.2677 118.7311 59.7179 32.1171 179.3036 562 I 3.6672 7.2472 120.4026 64.1758 37.1221 178.2073 563 Q 3.9738 8.1588 119.0266 58.7092 28.2949 178.7017 564 W 4.0256 8.4617 128.8739 60.3456 30.7320 177.9968 565 S 4.2516 7.9072 114.2757 60.9371 62.4590 175.3421 566 Q 4.3649 7.8558 120.1265 56.7773 31.1737 175.7555 567 N 4.9161 8.0255 117.0678 51.7859 39.8844 171.9904 568 P 3.9867 0.0000 0.0000 65.8900 32.1429 180.3134 569 T 3.8493 7.3945 113.9297 63.5294 68.2187 175.6437 *571 L 4.3599 8.1234 124.6778 55.4614 43.9757 178.3916 572 Y 4.4749 7.9451 116.3714 61.1650 37.8735 177.4084 573 N 4.9168 7.9908 114.7288 53.3663 39.9181 177.8925 574 K 4.3326 7.8821 121.5608 55.9844 31.7007 178.5949 *576 E 3.6550 8.7557 122.1716 56.9183 30.9451 177.3962 577 F 4.6368 7.2868 114.7622 57.9103 39.1648 177.4456 578 E 3.9989 7.9712 119.4869 59.0552 29.1271 177.1226 579 P 4.2358 0.0000 0.0000 65.4222 31.6708 177.9571 580 F 4.0501 8.2337 118.9321 61.5537 39.2907 176.8772 581 Q 4.1190 8.5834 117.8234 59.3399 28.3156 179.2230 582 S 4.2481 7.9760 114.6852 60.9220 63.0650 176.1012 583 L 4.0987 7.8998 121.7191 55.4147 41.4043 176.7310 584 V 4.1626 6.9616 119.3300 60.9478 32.4245 173.9067 585 P 4.2082 0.0000 0.0000 62.7583 31.6637 177.0239 586 K 3.7658 8.8758 123.5513 59.5263 32.1975 178.3392 587 A 3.9837 7.8778 119.9803 53.8083 18.6169 177.4386 588 I 4.6784 7.5651 106.4969 58.3884 39.2355 177.4566 589 R 3.9706 7.5814 121.8720 59.8474 29.8346 178.8181 590 G 3.6968 7.9692 104.4673 47.6823 0.0000 175.5376 591 Q 4.4261 7.9136 121.3734 58.5046 28.7554 178.3627 592 Y 4.1472 8.1048 117.8465 61.1456 37.8864 178.7064 593 S 4.5778 7.8096 115.5546 60.7979 62.5475 176.2672 594 G 3.7476 8.5415 108.9017 47.8351 0.0000 175.3275 595 F 4.2407 8.5032 123.0911 61.1388 39.4791 177.4771 596 V 2.9560 8.0076 117.9397 65.7404 31.2531 178.2312 597 R 3.8384 8.2010 118.2433 59.3906 29.7975 179.2431 598 T 3.8379 7.8721 115.5621 66.3848 68.2317 176.4594 599 L 3.7775 7.4739 121.1938 58.2289 42.1289 178.5748 600 F 4.9282 8.1834 116.7272 60.8995 39.1721 177.1911 601 Q 4.1340 8.3045 119.0757 59.1868 28.7209 178.6961 602 Q 3.9741 8.0706 115.8393 56.7375 28.4096 177.9932 *604 R 4.4473 7.9320 122.7978 56.5923 31.7915 177.3216 605 D 4.4115 8.2336 116.6111 56.6379 40.9074 177.5720 606 V 4.2785 7.5802 110.2843 61.3440 33.1612 176.3924 607 L 4.6200 7.8737 116.2169 53.1198 43.7283 178.1840 608 G 4.0000 7.8359 107.7376 45.9281 0.0000 174.4176 609 T 4.0378 8.5148 108.2187 60.5074 66.9261 174.4755 *610 F 3.8991 7.3033 124.5115 59.7919 39.1565 176.1554 611 D 4.9140 7.4383 124.4450 52.3939 39.7483 177.0321 612 T 3.4723 8.0048 121.2084 66.9205 68.7593 175.7802 613 T 3.5509 7.4291 116.5526 66.7146 68.5508 176.6119 614 Q 3.9309 7.7906 119.3809 58.6496 28.8544 178.5077 615 I 3.7643 7.8139 121.1231 64.3584 36.8685 178.4552 616 I 3.8318 7.4958 119.4756 64.2504 37.0290 177.9200 617 K 3.8252 7.9018 119.0769 59.6145 32.3032 178.2748 618 L 4.4404 7.9838 117.8181 56.1904 41.7046 178.6093 619 L 4.2740 8.1159 121.1669 58.2065 41.9339 177.4435 620 P 3.2273 0.0000 0.0000 64.8414 30.8767 178.1620 621 F 4.4248 7.8221 115.5095 59.1249 38.6341 176.4307 622 A 4.1100 7.6764 119.2597 52.8124 18.4594 178.1578 623 A 4.7437 7.7603 119.5536 54.1311 18.8013 178.6218 624 A 4.2313 7.7497 117.1716 51.0817 19.1990 175.3807 625 P 4.3188 0.0000 0.0000 62.1473 31.8414 174.6719 626 P 4.5691 0.0000 0.0000 62.4485 31.9074 175.9452 627 K 4.5147 8.3337 119.4638 54.6409 34.1827 175.7073 628 Q 4.3140 8.6258 123.7102 55.7209 29.4627 175.5175 629 S 4.5441 8.1796 114.6293 57.3730 65.9079 174.3906 630 R 4.0361 8.1744 120.2712 54.9027 28.6756 176.1620 *632 Q 3.7407 8.2018 120.7375 55.2599 29.0572 175.2675 633 F 4.2821 6.7247 121.9487 56.9802 39.8390 176.3185 634 S 4.6590 8.5079 120.2420 59.7471 64.1603 173.7464 635 S 4.9565 7.6357 112.1919 56.8756 66.1892 173.4764 636 L 3.9351 8.5394 120.2478 53.0834 44.7746 175.9497 637 T 4.8928 8.9517 120.8648 62.5743 70.0011 174.7762 638 V 4.6160 8.2821 116.9494 59.7386 35.4803 176.0841 639 N 4.7748 9.1978 122.3774 52.4529 37.0644 174.9287 640 V 4.3723 7.8523 116.3174 59.9185 36.0940 177.0638 *641 R 4.1415 8.4328 118.0757 56.8861 31.2682 176.6915 *643 S 4.4593 8.1343 114.8428 57.6967 64.1239 174.7879 644 G 3.8369 8.0795 110.7540 45.0554 0.0000 173.8364 *646 R 4.1645 8.1129 116.9946 56.0381 31.1240 175.3266 647 I 4.4260 8.4826 123.8932 59.6427 38.6215 175.2863 648 L 4.3389 8.4875 127.9303 54.7082 41.7707 177.5854 649 V 3.6219 8.7410 124.7142 65.5917 31.9948 176.1575 650 R 4.3258 8.0067 119.4799 55.5054 31.2387 176.5998 651 G 3.8430 8.6796 113.7741 44.8321 0.0000 171.9902 652 N 5.0929 8.3502 116.1006 52.7218 39.7907 174.1360 653 S 4.6789 8.7297 113.4778 56.5849 66.1053 172.5936 654 P 4.3450 0.0000 0.0000 66.1339 31.4331 178.3700 655 V 3.8436 8.0607 117.4535 65.3306 32.7273 175.6413 656 F 4.8210 8.3764 124.4204 56.2908 41.9009 173.5034 657 N 5.1869 8.7212 125.4638 52.1470 41.5985 171.9364 658 Y 4.6475 9.2694 128.8917 56.3985 40.6853 173.3796 659 N 4.7554 7.8965 125.7176 51.4061 40.6770 175.5348 660 K 3.8864 8.4680 124.9702 59.0100 33.6910 178.3384 661 T 4.2575 7.8916 117.1578 66.4155 68.7872 176.6866 662 T 3.9924 8.0123 109.2605 61.7818 69.4901 175.2999 663 K 4.0549 7.9073 120.0574 56.5803 30.4457 174.6556 664 R 5.1218 7.4029 116.8314 54.4466 33.2873 174.6959 665 L 4.9126 8.6520 124.0372 53.9286 44.2799 175.1524 666 T 4.9943 8.6606 122.7720 61.7465 71.5886 173.0007 667 I 4.7339 8.6869 127.2945 59.6818 40.2061 175.9472 668 L 3.6635 9.5670 128.6402 55.9029 39.6921 175.8031 669 G 3.9367 8.4981 103.1033 45.6739 0.0000 174.0031 670 K 4.6400 7.8014 118.8985 53.9090 34.9531 175.0617 671 D 4.6351 8.6029 121.2939 54.2568 41.5647 175.9133 672 A 4.4705 8.9688 128.5965 51.0351 20.4370 174.9976 673 G 3.6969 7.1576 98.7473 44.0438 0.0000 172.4419 674 T 4.8211 8.2283 115.6549 62.4943 69.4207 174.9624 675 L 4.3888 8.8677 126.8220 53.5675 43.5712 176.8654 676 I 4.1925 7.9016 123.6348 60.0291 36.9164 175.2446 677 E 3.8806 8.7584 127.6257 57.7784 30.0353 176.6057 678 D 4.7944 7.8821 118.8890 51.5593 41.5344 174.7348 679 P 4.4794 0.0000 0.0000 64.6504 31.5583 176.8987 680 D 4.5926 8.2928 118.5001 55.0877 41.3523 176.5477 681 E 4.1589 8.1793 119.8860 56.1296 30.3235 178.0226 682 S 4.1171 8.8020 118.0110 60.9772 63.8004 174.4987 683 T 4.3634 7.7291 117.4419 61.6111 69.2948 174.6412 684 S 4.9475 7.9911 120.3644 56.7490 65.7718 174.6513 685 G 3.8356 8.4522 106.5102 44.2739 0.0000 173.1440 686 V 3.8894 8.2458 120.1009 62.2959 31.6885 176.5507 687 E 4.2714 8.9102 123.5094 56.2214 29.9433 176.7450 688 S 4.2511 8.5920 116.4724 58.7377 64.4749 174.1991 689 A 3.8072 8.4119 120.8503 53.6438 15.5998 178.9668 690 V 3.9564 6.9636 118.3136 66.0365 32.6614 175.7630 691 L 4.1070 7.5952 122.4495 54.4941 42.2512 176.7396 692 R 3.9974 8.9406 127.4250 57.9271 30.4742 176.3272 693 G 3.7768 7.8291 110.1626 46.4460 0.0000 172.2375 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 537 G 8.35 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 0.00 0.00 0.00 538 E 8.91 4.31 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 539 I 7.87 4.59 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.93 0.00 0.00 540 N 8.04 4.57 0.00 2.90 3.03 0.00 0.00 6.08 6.94 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 0.00 541 G 8.13 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 0.00 542 P 0.00 4.21 0.00 2.15 2.18 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 543 E 8.18 3.98 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 544 S 8.15 4.14 0.00 4.23 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 0.00 545 V 7.56 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 546 L 7.80 3.99 0.00 1.83 1.89 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 547 V 8.05 3.79 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 1.14 0.00 0.00 1.12 0.00 0.00 548 N 8.78 4.48 0.00 2.86 2.93 0.00 0.00 7.10 6.78 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 0.00 549 T 8.09 4.10 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 1.13 0.00 0.00 550 Y 8.00 4.44 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 Q 8.65 4.39 0.00 2.43 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 552 W 8.74 4.18 0.00 3.51 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 I 8.24 3.97 2.23 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.42 1.29 0.00 0.00 554 I 8.17 3.93 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.97 0.00 0.00 555 R 8.21 4.02 0.00 1.69 1.89 0.00 3.14 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 556 N 7.51 4.66 0.00 1.72 2.14 0.00 0.00 6.53 7.51 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 0.00 557 W 7.91 4.32 0.00 3.46 3.08 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 0.00 558 E 8.07 3.82 0.00 1.90 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 2.36 2.35 0.00 559 T 7.43 4.09 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 1.17 0.00 0.00 560 V 7.65 3.60 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.08 0.00 0.00 561 K 7.27 3.32 0.00 1.26 0.74 0.00 1.16 0.00 0.00 1.18 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 1.11 7.81 562 I 7.25 3.67 1.90 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 1.55 0.74 0.85 0.00 0.00 563 Q 8.16 3.97 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 564 W 8.46 4.03 0.00 3.19 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 0.00 565 S 7.91 4.25 0.00 4.10 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 Q 7.86 4.36 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.24 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 567 N 8.03 4.92 0.00 2.55 2.58 0.00 0.00 7.26 7.25 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 0.00 568 P 0.00 3.99 0.00 1.41 1.78 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 569 T 7.39 3.85 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 1.26 0.00 0.00 *571 L 8.12 4.36 0.00 1.74 1.75 1.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 572 Y 7.95 4.47 0.00 3.22 3.08 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 0.00 573 N 7.99 4.92 0.00 2.82 2.91 0.00 0.00 7.05 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 K 7.88 4.33 0.00 1.87 1.37 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.56 7.81 *576 E 8.76 3.66 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 577 F 7.29 4.64 0.00 3.13 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 0.00 578 E 7.97 4.00 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 579 P 0.00 4.24 0.00 2.01 2.10 0.00 3.80 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.11 0.00 580 F 8.23 4.05 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 Q 8.58 4.12 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 582 S 7.98 4.25 0.00 3.98 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 0.00 583 L 7.90 4.10 0.00 1.39 1.46 0.56 0.57 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 0.00 584 V 6.96 4.16 2.27 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 0.95 0.00 0.00 1.04 0.00 0.00 585 P 0.00 4.21 0.00 2.09 1.93 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 586 K 8.88 3.77 0.00 1.76 1.79 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 587 A 7.88 3.98 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 0.00 588 I 7.57 4.68 1.23 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.75 0.00 0.00 589 R 7.58 3.97 0.00 1.76 2.07 0.00 3.12 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 590 G 7.97 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 591 Q 7.91 4.43 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 592 Y 8.10 4.15 0.00 3.11 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 0.00 593 S 7.81 4.58 0.00 4.03 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.16 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 *604 R 7.93 4.45 0.00 1.52 1.81 0.00 2.85 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 605 D 8.23 4.41 0.00 2.96 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 0.00 606 V 7.58 4.28 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 0.72 0.00 0.00 1.01 0.00 0.00 607 L 7.87 4.62 0.00 1.69 1.72 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 608 G 7.84 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 0.00 0.00 0.00 609 T 8.51 4.04 4.21 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 1.41 0.00 0.00 *610 F 7.30 3.90 0.00 2.23 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 0.00 0.00 0.00 0.00 611 D 7.44 4.91 0.00 2.62 2.59 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 0.00 612 T 8.00 3.47 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 0.14 0.00 0.00 613 T 7.43 3.55 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 1.18 0.00 0.00 614 Q 7.79 3.93 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 615 I 7.81 3.76 1.75 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.39 0.21 0.00 0.00 616 I 7.50 3.83 1.92 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 -0.09 1.17 0.00 0.00 617 K 7.90 3.83 0.00 0.97 1.72 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.37 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.10 0.21 7.81 618 L 7.98 4.44 0.00 1.81 1.46 0.83 0.26 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 0.00 619 L 8.12 4.27 0.00 2.26 1.81 1.33 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 620 P 0.00 3.23 0.00 0.49 0.82 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.49 0.00 621 F 7.82 4.42 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 A 7.68 4.11 0.68 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 0.00 0.00 623 A 7.76 4.74 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 0.00 624 A 7.75 4.23 1.45 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 0.00 0.00 625 P 0.00 4.32 0.00 2.21 2.04 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 626 P 0.00 4.57 0.00 2.38 2.06 0.00 3.74 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 2.02 2.03 0.00 627 K 8.33 4.51 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 628 Q 8.63 4.31 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 629 S 8.18 4.54 0.00 3.94 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 0.00 630 R 8.17 4.04 0.00 1.79 1.92 0.00 3.23 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 *632 Q 8.20 3.74 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.90 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 633 F 6.72 4.28 0.00 1.96 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 0.00 634 S 8.51 4.66 0.00 3.74 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 0.00 635 S 7.64 4.96 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 L 8.54 3.94 0.00 0.46 0.13 -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 637 T 8.95 4.89 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 1.27 0.00 0.00 638 V 8.28 4.62 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 0.51 0.00 0.00 1.00 0.00 0.00 639 N 9.20 4.77 0.00 2.75 2.77 0.00 0.00 6.72 8.10 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 0.00 640 V 7.85 4.37 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 0.63 0.00 0.00 0.95 0.00 0.00 *641 R 8.43 4.14 0.00 1.57 1.74 0.00 3.23 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 1.69 0.00 *643 S 8.13 4.46 0.00 3.73 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 0.00 644 G 8.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *646 R 8.11 4.16 0.00 1.86 1.93 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 647 I 8.48 4.43 2.08 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.98 0.88 0.00 0.00 648 L 8.49 4.34 0.00 1.54 1.73 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 649 V 8.74 3.62 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 0.77 0.00 0.00 0.95 0.00 0.00 650 R 8.01 4.33 0.00 1.80 1.81 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 651 G 8.68 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 N 8.35 5.09 0.00 2.78 2.83 0.00 0.00 6.59 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 0.00 653 S 8.73 4.68 0.00 4.02 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 0.00 654 P 0.00 4.34 0.00 2.09 2.21 0.00 3.71 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 2.06 2.12 0.00 655 V 8.06 3.84 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 1.20 0.00 0.00 1.06 0.00 0.00 656 F 8.38 4.82 0.00 3.20 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 0.00 657 N 8.72 5.19 0.00 2.88 2.54 0.00 0.00 6.37 7.64 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 0.00 658 Y 9.27 4.65 0.00 3.01 2.87 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 0.00 659 N 7.90 4.76 0.00 2.60 2.36 0.00 0.00 6.58 6.90 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 0.00 660 K 8.47 3.89 0.00 1.91 1.94 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 661 T 7.89 4.26 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 1.16 0.00 0.00 662 T 8.01 3.99 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 1.14 0.00 0.00 663 K 7.91 4.05 0.00 1.99 2.02 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.64 7.81 664 R 7.40 5.12 0.00 1.69 1.84 0.00 3.08 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 665 L 8.65 4.91 0.00 1.67 1.41 -0.38 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 666 T 8.66 4.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 667 I 8.69 4.73 1.95 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.16 1.16 0.00 0.00 668 L 9.57 3.66 0.00 1.80 1.76 0.98 1.04 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 0.00 669 G 8.50 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 0.00 0.00 0.00 670 K 7.80 4.64 0.00 1.88 1.70 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.50 7.81 671 D 8.60 4.64 0.00 2.61 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 0.00 672 A 8.97 4.47 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 0.00 673 G 7.16 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 674 T 8.23 4.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 675 L 8.87 4.39 0.00 1.43 1.27 0.40 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 676 I 7.90 4.19 1.96 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 1.37 0.92 1.03 0.00 0.00 677 E 8.76 3.88 0.00 1.95 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 2.10 2.07 0.00 678 D 7.88 4.79 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 P 0.00 4.48 0.00 2.25 2.23 0.00 3.84 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 2.01 2.03 0.00 680 D 8.29 4.59 0.00 2.87 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 0.00 681 E 8.18 4.16 0.00 2.16 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 2.44 2.26 0.00 682 S 8.80 4.12 0.00 4.00 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 0.00 683 T 7.73 4.36 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 0.00 684 S 7.99 4.95 0.00 3.98 3.89 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 0.00 685 G 8.45 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 686 V 8.25 3.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 687 E 8.91 4.27 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 688 S 8.59 4.25 0.00 3.77 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 0.00 689 A 8.41 3.81 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 0.00 690 V 6.96 3.96 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 0.76 0.00 0.00 0.96 0.00 0.00 691 L 7.60 4.11 0.00 1.61 1.57 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 692 R 8.94 4.00 0.00 1.80 1.93 0.00 3.40 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 693 G 7.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.