NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 543 Q 4.2013 8.3293 121.7076 55.3852 30.5549 174.6539 544 R 3.8417 7.8939 113.2340 54.9397 29.6191 174.1557 545 Q 3.8732 9.0805 121.0548 55.9645 30.3565 175.8897 546 Q 4.6320 8.2562 124.2379 54.6016 30.0644 175.3233 547 F 4.8723 9.1117 123.3416 55.4021 41.1521 174.1812 548 P 4.4219 0.0000 0.0000 62.7908 31.9237 178.2740 549 V 3.4513 8.7113 116.9248 64.3260 31.7082 178.1679 550 E 4.0091 8.0304 116.0303 58.4913 29.6096 176.9568 551 H 4.7457 7.9411 115.9989 55.3126 29.1282 174.2346 552 V 4.3402 7.6270 121.0546 61.2014 33.7144 174.5971 553 Q 4.8378 8.6716 126.5740 54.1429 32.2163 174.4188 554 L 4.8933 8.4861 121.5953 53.1574 43.7917 175.7649 555 L 5.1296 8.8342 123.8496 52.6083 45.5476 175.3813 556 C 4.6577 8.4958 122.6116 59.1565 31.8750 174.4360 557 I 3.5950 8.4046 120.9619 64.2227 37.1772 177.3043 558 N 4.4989 8.5614 120.6613 56.0577 38.2783 175.3631 559 C 4.3830 8.0603 111.1163 57.9427 30.7904 174.5707 560 M 3.3526 8.4543 119.1837 55.7915 29.8718 177.0253 561 V 3.8552 7.1699 119.1842 60.9686 32.4309 175.3106 562 A 4.5097 8.4443 125.5276 52.3124 18.5873 177.7431 563 V 3.1533 8.1854 115.3748 60.0111 33.9535 175.6415 564 G 3.8104 6.5503 106.0916 45.8864 0.0000 171.2414 565 H 5.0253 7.7324 114.9910 53.4083 32.2931 175.1087 566 G 3.3601 9.0822 113.1707 48.5904 0.0000 175.4559 567 S 4.2878 7.8677 112.2147 59.8877 63.4012 174.2220 568 D 4.6663 8.1125 121.1162 54.3097 41.2491 175.9053 569 L 4.6689 7.4390 119.9435 54.5727 42.4208 176.6676 570 R 4.7963 8.7669 120.9891 54.2924 35.1543 173.9195 571 K 4.4620 8.7285 123.1264 54.8518 34.1410 175.0468 572 V 4.4263 8.7847 128.4053 61.3348 33.8583 175.4496 573 E 3.6123 9.7261 127.4513 57.6103 27.1244 175.3163 574 G 4.3802 8.5246 112.7189 45.9392 0.0000 174.8200 575 T 4.3887 7.5272 106.6587 61.6192 70.9743 173.5597 576 H 4.4905 8.0645 120.5061 55.6683 29.8519 174.2543 577 H 4.7035 8.5480 121.5327 54.4911 30.0470 174.9586 578 V 5.1631 8.2111 116.1331 58.5419 35.5116 173.9721 579 N 5.0204 8.4356 120.9499 52.2274 39.9411 174.6735 580 V 4.3246 8.3792 118.6523 61.0866 32.9587 175.7844 581 N 4.5147 8.6323 122.2111 52.4831 38.9151 173.8126 582 P 4.4096 0.0000 0.0000 66.0762 31.6741 177.8151 583 N 4.6272 9.3613 115.7307 54.8455 38.8914 176.6634 584 F 4.8529 8.5528 120.6906 61.0445 39.1916 176.7198 585 S 3.2780 7.9516 111.9625 61.0573 61.9162 175.1751 586 N 4.2939 7.7774 116.7913 54.7901 38.3718 174.7213 587 Y 4.8481 7.7372 117.5154 57.6964 40.2864 174.7597 588 Y 5.0534 7.2441 116.5033 55.1851 41.6665 174.5170 589 N 4.9758 8.9842 117.7191 51.7804 41.8144 173.8990 590 V 4.8200 8.0901 119.8692 61.3384 33.7329 176.6019 591 S 4.5473 8.6234 125.4608 58.3824 64.6920 174.9618 592 R 4.5185 8.3445 117.6533 55.6610 32.5841 174.3978 593 D 4.3704 8.0513 127.3827 54.8295 44.9275 176.3031 *600 V 3.6002 8.2677 111.8301 60.3116 32.7298 174.9465 601 F 4.6968 7.5800 120.0371 57.7035 39.3078 176.2124 602 K 4.2615 9.0607 124.1011 59.2178 32.7330 177.6018 603 D 4.9241 9.2256 116.1886 53.3515 42.0656 175.5523 604 W 5.1944 8.2657 118.4256 54.5422 33.0283 174.5865 605 K 4.7877 9.6413 123.1458 54.6242 33.9434 174.2510 606 P 5.0404 0.0000 0.0000 63.2322 31.8690 176.1602 607 G 3.9267 8.5422 111.4091 45.1945 0.0000 173.2427 608 G 4.0046 8.9299 111.1382 46.0212 0.0000 172.9009 609 V 4.2915 8.3999 121.4295 62.8481 33.2303 174.5874 610 I 4.9613 8.6985 128.5779 59.8829 39.0481 174.9324 611 S 4.5924 8.5040 120.3675 56.0533 66.9959 172.9565 612 C 3.0413 8.0794 123.2624 59.3618 31.5241 174.5394 613 R 3.7045 9.1305 128.3595 59.4629 29.8055 177.5377 614 N 4.5192 8.3549 117.0701 56.1175 38.9790 175.0294 615 C 4.6557 7.6191 108.3170 56.8743 31.2364 175.0712 616 G 3.8413 8.4682 108.6500 45.4759 0.0000 173.5543 617 E 4.0201 7.3662 120.9557 56.5781 30.8512 175.8934 618 V 4.2636 8.3240 125.7716 62.2764 32.0174 175.3643 619 W 5.0765 8.9876 127.8955 54.5935 31.3068 178.3460 620 G 4.9962 8.0065 107.7822 45.4213 0.0000 174.1948 621 L 5.0022 7.6916 124.6939 54.3944 43.4112 172.8395 622 Q 4.6687 9.3561 121.6979 56.0644 30.9321 174.2970 623 M 4.8510 9.0695 123.6316 53.9197 35.3120 173.9282 624 I 5.4089 9.2079 126.9862 59.8935 41.3696 174.3619 625 Y 4.6317 8.9728 126.8909 55.8009 41.6402 174.6117 626 K 3.2418 8.2718 127.5469 57.8499 30.8749 178.3822 627 S 4.2659 8.7689 121.6098 60.6424 62.6814 173.7308 628 V 4.3902 7.9304 121.0551 60.3347 32.5436 174.7199 629 K 5.2776 8.6863 123.1991 54.5674 34.7096 175.4625 630 L 4.8603 8.9479 123.9303 52.1420 45.7733 173.8134 631 P 4.6639 0.0000 0.0000 62.2805 33.1456 174.8159 632 V 4.5741 8.8272 125.5266 61.2510 33.2580 174.2466 633 L 5.2776 8.9151 128.3176 53.1525 43.7811 176.0972 634 K 4.6885 9.2182 123.7036 55.2308 33.2967 178.3873 635 V 2.0000 8.2965 124.5335 64.2920 31.0243 178.4366 636 R 3.9257 7.5717 117.8568 58.0271 30.1414 177.4093 637 S 4.4082 8.2471 112.4709 59.4906 63.7052 173.1837 638 M 4.6017 7.4037 121.0318 53.4359 33.8020 175.0462 639 L 4.4472 9.2509 127.2272 53.5788 44.2043 174.9739 640 L 4.8343 8.8857 127.6411 53.6310 43.4160 175.4910 641 E 4.5914 8.9185 127.0069 55.4017 30.6227 175.3249 642 T 4.6071 8.5333 117.9522 58.9720 71.5747 173.9275 643 P 4.3421 0.0000 0.0000 64.7388 31.3720 177.4927 644 Q 4.4064 7.3577 115.7043 55.4413 29.1351 173.8337 645 G 3.5672 7.7228 105.4531 44.0534 0.0000 172.8475 646 R 5.0334 8.3637 118.7749 55.0073 30.7254 176.4421 647 I 4.6306 9.1438 118.3048 58.9188 41.0256 174.1558 648 Q 4.8763 8.6234 123.9898 54.2978 31.1426 174.3958 649 A 4.7196 8.3129 128.6592 50.1318 21.2796 176.8288 650 K 4.1142 8.4146 120.1600 58.5559 33.6061 177.5941 651 K 4.5745 7.4366 117.2721 53.7191 35.9847 176.8789 652 W 4.3344 8.7654 122.0866 60.0354 29.0665 178.5380 653 S 4.2570 8.1115 110.9559 60.3294 62.7334 174.7729 654 R 4.4017 7.9733 119.5211 55.9544 30.2770 176.7607 655 V 3.8772 7.2920 113.6930 60.3826 32.5809 175.1618 656 P 4.7209 0.0000 0.0000 61.8653 30.9962 175.0047 657 F 4.8939 8.0284 111.7932 57.6063 41.0061 173.2010 658 S 4.4596 8.7232 115.6834 56.2211 62.8621 173.5357 659 V 3.8202 8.2025 129.0539 61.7386 31.4610 173.9345 660 P 4.6670 0.0000 0.0000 62.2179 33.3693 174.7841 661 D 4.9609 8.3805 119.2619 53.5776 41.7301 176.7055 662 F 4.2075 9.0631 125.5646 58.3148 40.4165 174.1883 663 D 4.5123 7.3794 124.1908 51.5439 43.2128 175.5508 664 F 3.6453 8.7472 129.5269 61.1968 39.3214 176.6032 665 L 4.0645 8.0207 119.4410 58.1821 41.9339 178.7187 666 Q 3.9157 8.6428 118.4168 59.1478 28.6558 178.0002 667 H 4.0376 7.9855 119.1868 59.6904 29.5665 176.6442 668 C 4.0397 7.7675 115.9964 62.8710 28.1207 175.3918 669 A 4.1765 7.8882 121.2471 55.5381 18.0476 179.2557 670 E 4.1190 8.3525 113.8638 57.8261 31.2053 177.6149 671 N 4.8999 7.3254 118.8765 50.2217 36.0619 174.5887 672 L 4.1917 7.3573 123.8029 56.6706 39.9491 174.6604 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 543 Q 8.33 4.20 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 544 R 7.89 3.84 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 545 Q 9.08 3.87 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 1.62 2.11 0.00 546 Q 8.26 4.63 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 547 F 9.11 4.87 0.00 2.97 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 0.00 548 P 0.00 4.42 0.00 2.00 1.96 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 549 V 8.71 3.45 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 0.91 0.00 0.00 0.91 0.00 0.00 550 E 8.03 4.01 0.00 1.96 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 2.15 2.05 0.00 551 H 7.94 4.75 0.00 3.27 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.63 4.34 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 0.55 0.00 0.00 0.74 0.00 0.00 553 Q 8.67 4.84 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 554 L 8.49 4.89 0.00 1.49 1.40 0.85 0.69 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 0.00 555 L 8.83 5.13 0.00 1.68 1.49 0.85 0.68 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 0.00 556 C 8.50 4.66 0.00 3.46 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 0.00 557 I 8.40 3.60 1.89 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 1.37 0.75 0.93 0.00 0.00 558 N 8.56 4.50 0.00 2.88 2.97 0.00 0.00 6.92 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 0.00 559 C 8.06 4.38 0.00 3.19 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 0.00 560 M 8.45 3.35 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 561 V 7.17 3.86 2.17 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 0.85 0.00 0.00 1.03 0.00 0.00 562 A 8.44 4.51 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 0.00 563 V 8.19 3.15 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 0.89 0.00 0.00 0.72 0.00 0.00 564 G 6.55 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 0.00 0.00 0.00 565 H 7.73 5.03 0.00 3.32 3.07 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 G 9.08 3.36 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 0.00 567 S 7.87 4.29 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 D 8.11 4.67 0.00 2.71 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 0.00 569 L 7.44 4.67 0.00 1.67 1.40 1.05 0.39 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 0.00 570 R 8.77 4.80 0.00 1.66 1.90 0.00 3.44 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 571 K 8.73 4.46 0.00 1.77 1.55 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 0.88 7.81 572 V 8.78 4.43 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 0.38 0.00 0.00 0.22 0.00 0.00 573 E 9.73 3.61 0.00 2.23 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 2.35 2.40 0.00 574 G 8.52 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 0.00 575 T 7.53 4.39 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 1.23 0.00 0.00 576 H 8.06 4.49 0.00 3.23 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 H 8.55 4.70 0.00 1.87 2.15 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 V 8.21 5.16 1.84 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 0.15 0.00 0.00 0.57 0.00 0.00 579 N 8.44 5.02 0.00 2.08 2.15 0.00 0.00 6.94 7.71 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 0.00 580 V 8.38 4.32 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 0.75 0.00 0.00 1.02 0.00 0.00 581 N 8.63 4.51 0.00 2.92 2.91 0.00 0.00 6.89 7.03 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 0.00 582 P 0.00 4.41 0.00 2.31 2.36 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 583 N 9.36 4.63 0.00 3.05 3.06 0.00 0.00 6.56 8.08 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 0.00 584 F 8.55 4.85 0.00 3.39 3.43 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 0.00 585 S 7.95 3.28 0.00 4.12 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 0.00 586 N 7.78 4.29 0.00 2.25 2.40 0.00 0.00 6.87 7.00 0.00 0.00 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 Y 7.74 4.85 0.00 3.02 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 0.00 588 Y 7.24 5.05 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.98 4.98 0.00 2.57 2.71 0.00 0.00 6.76 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 0.00 590 V 8.09 4.82 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 0.91 0.00 0.00 1.15 0.00 0.00 591 S 8.62 4.55 0.00 3.93 3.77 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 0.00 0.00 0.00 0.00 592 R 8.34 4.52 0.00 1.78 1.82 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 593 D 8.05 4.37 0.00 2.64 2.38 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 *600 V 8.27 3.60 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 0.68 0.00 0.00 0.93 0.00 0.00 601 F 7.58 4.70 0.00 3.45 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 K 9.06 4.26 0.00 1.95 2.04 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.49 7.81 603 D 9.23 4.92 0.00 2.86 2.47 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 0.00 604 W 8.27 5.19 0.00 2.90 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 0.00 605 K 9.64 4.79 0.00 1.87 2.05 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.52 7.81 606 P 0.00 5.04 0.00 2.03 2.13 0.00 3.80 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 607 G 8.54 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 0.00 0.00 0.00 608 G 8.93 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 V 8.40 4.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 610 I 8.70 4.96 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.75 0.00 0.00 611 S 8.50 4.59 0.00 3.93 3.75 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 0.00 612 C 8.08 3.04 0.00 2.59 2.77 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 0.00 0.00 0.00 0.00 613 R 9.13 3.70 0.00 1.69 1.97 0.00 3.29 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 614 N 8.35 4.52 0.00 2.81 2.92 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 0.00 615 C 7.62 4.66 0.00 3.10 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 0.00 616 G 8.47 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 0.00 617 E 7.37 4.02 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 618 V 8.32 4.26 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 0.94 0.00 0.00 0.91 0.00 0.00 619 W 8.99 5.08 0.00 3.32 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 0.00 620 G 8.01 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 L 7.69 5.00 0.00 1.91 1.81 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 622 Q 9.36 4.67 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 623 M 9.07 4.85 0.00 1.55 1.24 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.85 0.00 624 I 9.21 5.41 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 1.00 0.00 0.00 625 Y 8.97 4.63 0.00 1.74 1.64 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 0.00 626 K 8.27 3.24 0.00 1.09 1.02 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.02 1.22 7.81 627 S 8.77 4.27 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 V 7.93 4.39 2.26 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 1.10 0.00 0.00 1.24 0.00 0.00 629 K 8.69 5.28 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 630 L 8.95 4.86 0.00 0.92 1.08 -0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 631 P 0.00 4.66 0.00 2.16 2.02 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 632 V 8.83 4.57 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 1.04 0.00 0.00 0.58 0.00 0.00 633 L 8.92 5.28 0.00 1.72 1.83 0.78 1.19 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 0.00 634 K 9.22 4.69 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.77 7.81 635 V 8.30 2.00 0.67 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 0.39 0.00 0.00 -0.07 0.00 0.00 636 R 7.57 3.93 0.00 1.76 1.97 0.00 3.29 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 637 S 8.25 4.41 0.00 4.27 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 0.00 638 M 7.40 4.60 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 639 L 9.25 4.45 0.00 1.63 1.57 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 640 L 8.89 4.83 0.00 1.73 1.64 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 641 E 8.92 4.59 0.00 1.99 1.75 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 2.17 2.18 0.00 642 T 8.53 4.61 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 1.10 0.00 0.00 643 P 0.00 4.34 0.00 1.98 2.04 0.00 2.27 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 644 Q 7.36 4.41 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 645 G 7.72 3.57 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 0.00 646 R 8.36 5.03 0.00 1.68 1.87 0.00 3.13 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 647 I 9.14 4.63 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.93 0.00 0.00 648 Q 8.62 4.88 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 649 A 8.31 4.72 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 0.00 0.00 0.00 0.00 0.00 650 K 8.41 4.11 0.00 1.82 1.89 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 651 K 7.44 4.57 0.00 1.74 1.67 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.38 7.81 652 W 8.77 4.33 0.00 3.25 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 0.00 653 S 8.11 4.26 0.00 3.99 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 0.00 654 R 7.97 4.40 0.00 1.82 1.95 0.00 3.30 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 655 V 7.29 3.88 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 0.76 0.00 0.00 0.45 0.00 0.00 656 P 0.00 4.72 0.00 2.76 2.45 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.24 0.00 657 F 8.03 4.89 0.00 3.14 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 0.00 658 S 8.72 4.46 0.00 3.86 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 0.00 659 V 8.20 3.82 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 0.70 0.00 0.00 0.88 0.00 0.00 660 P 0.00 4.67 0.00 2.21 2.18 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 661 D 8.38 4.96 0.00 2.57 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 0.00 662 F 9.06 4.21 0.00 2.82 2.99 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 0.00 663 D 7.38 4.51 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 0.00 0.00 0.00 664 F 8.75 3.65 0.00 3.24 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 0.00 665 L 8.02 4.06 0.00 1.84 1.80 0.97 0.91 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 0.00 666 Q 8.64 3.92 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 667 H 7.99 4.04 0.00 3.05 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 C 7.77 4.04 0.00 3.30 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 0.00 669 A 7.89 4.18 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 0.00 670 E 8.35 4.12 0.00 2.11 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 2.52 2.32 0.00 671 N 7.33 4.90 0.00 2.73 2.78 0.00 0.00 6.86 7.96 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 0.00 672 L 7.36 4.19 0.00 1.69 1.59 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.