NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 496 P 4.3864 0.0000 0.0000 62.6556 32.4709 175.6941 497 G 3.8946 8.1223 104.6581 44.0168 0.0000 172.5212 498 F 5.4533 7.3374 113.5991 55.2490 42.1277 171.6665 499 Q 4.5900 9.2113 116.8443 54.4017 32.6044 174.1610 500 K 4.9539 8.6772 118.6774 54.9623 34.7954 175.8217 501 I 4.3715 8.7719 127.7725 59.6907 38.8228 175.6550 502 T 4.4964 8.5762 124.9891 63.6995 68.7367 174.3358 503 L 4.6263 8.6425 126.8940 53.5476 43.5806 176.6544 504 S 4.2473 8.4930 116.6601 57.6685 63.0662 175.2997 505 S 2.7900 8.1214 121.5027 59.5421 62.7757 174.7595 506 S 4.4167 7.3941 114.5710 58.2796 63.6459 174.9999 507 S 4.4545 7.7275 117.9552 57.8423 65.1587 174.4999 508 E 3.9485 8.7664 124.3365 59.5610 28.8797 178.8660 509 E 3.9395 8.1906 118.7625 59.4033 29.7022 177.9585 510 Y 3.9884 8.0329 119.4679 61.0174 38.9359 178.2497 511 Q 4.2808 8.3774 118.7033 58.5880 28.5731 179.0636 512 K 4.0257 8.1501 119.9961 59.4077 32.1526 179.4809 513 V 3.4537 7.2109 117.3627 65.6227 31.4024 177.6720 514 W 3.9090 8.2461 128.4162 60.5308 30.6282 177.3324 515 N 4.1798 8.5853 116.8533 56.7155 38.1702 176.8298 516 L 4.0320 7.5385 119.2990 57.6008 42.0028 178.9811 517 F 3.8840 8.2078 120.6308 61.3050 39.3042 176.7208 518 N 3.7711 8.0145 116.8924 56.3142 38.1800 176.6565 519 R 3.7470 7.2218 118.7385 58.7385 30.2035 177.2928 520 T 4.2801 7.3003 103.0366 61.0943 70.2905 173.7130 521 L 4.1356 6.8305 121.3680 52.7624 41.6929 175.3560 522 P 4.6537 0.0000 0.0000 63.1792 32.1379 177.5789 523 F 5.1322 7.2837 116.4571 57.5594 39.5459 174.1663 524 Y 5.4429 7.5070 117.8819 56.4302 40.5797 174.8926 525 F 5.0499 9.1831 125.1249 56.8935 41.3089 174.7989 526 V 4.0094 8.2795 126.8275 62.8240 31.2378 175.4537 527 Q 4.3239 8.7381 127.9778 57.9054 29.7174 176.1525 528 K 4.6721 7.5149 115.2551 56.1048 36.0225 174.6569 529 I 5.0249 8.3381 121.1048 59.7275 41.0814 173.9884 530 E 5.2180 9.3576 126.6811 54.4715 32.8194 175.0647 531 R 4.5802 9.1635 125.3344 55.6915 31.5107 175.1660 532 V 4.4697 8.3405 127.4709 62.3465 32.7005 175.2826 533 Q 4.5460 9.2769 127.8939 54.3228 30.7059 174.2676 534 N 5.3505 9.2126 123.8776 51.1761 41.1369 174.6765 535 L 4.0600 8.8607 128.6865 58.0322 42.1151 178.0969 536 A 4.0714 8.2528 120.3003 55.6401 18.1630 179.5623 537 L 4.1557 8.2265 116.9455 57.4452 41.6176 179.5417 538 W 3.9631 8.6367 128.7552 60.2927 30.6027 177.9463 539 E 3.9809 8.5830 118.6876 59.6235 29.0041 179.7152 540 V 3.7937 7.6688 111.8104 63.7627 31.5236 178.1469 541 Y 4.3050 7.7060 121.2865 60.4445 38.6518 177.7919 542 Q 3.6595 8.0615 119.1891 58.4708 28.6793 178.8864 543 W 3.9648 8.2923 129.5164 60.4220 30.5593 177.8946 544 Q 3.6234 8.0893 118.4481 58.7309 28.5387 177.5450 545 K 3.8097 7.5902 120.0243 59.4679 32.3591 178.5166 546 G 3.6426 7.4773 105.3599 47.5604 0.0000 176.2458 547 Q 3.8654 7.0560 117.5612 56.3735 28.2523 178.5839 *549 Q 4.1708 8.0185 121.0463 56.0482 30.9657 177.7856 550 K 3.9004 8.1089 117.1391 59.7149 32.0735 179.4361 551 Q 4.0076 7.7802 117.8046 58.7112 28.6502 177.7275 552 N 4.4680 7.8041 113.3749 52.7130 38.0924 180.9319 553 G 3.9653 7.5745 104.9160 46.4497 0.0000 174.5412 554 G 4.0412 7.9101 110.2988 45.0329 0.0000 175.4498 555 K 4.1280 7.5092 117.0991 55.6068 32.7815 176.4748 556 A 4.0603 8.2083 124.2573 52.1861 18.9336 177.3810 557 V 3.9475 8.0512 122.6659 61.7529 32.8322 174.9648 558 D 4.4207 8.7957 127.4868 54.8455 42.1794 174.2612 559 E 5.0598 8.7412 126.7032 54.5227 32.2669 174.8800 560 R 4.6950 9.0161 125.0000 54.4769 34.9875 174.1848 561 Q 4.8408 8.5098 120.4527 54.8111 29.8894 175.1783 562 L 4.8319 8.7628 123.9099 52.8203 46.3651 175.9481 563 F 5.2401 9.4303 120.6584 57.3645 41.0220 174.9710 564 H 4.8298 9.6117 122.2855 54.6143 31.8769 172.9921 565 G 4.1626 8.8108 113.7222 46.3918 0.0000 171.1895 566 T 5.0231 8.5169 115.9574 61.1616 72.0664 172.7478 567 S 4.8014 9.0838 118.4576 57.4987 64.0725 175.6484 568 A 4.1389 8.4914 124.1625 55.0963 17.8507 180.1297 569 I 3.6643 7.6154 110.4317 63.4333 37.9865 177.3687 570 F 4.7460 7.9479 118.0278 58.0137 39.1439 177.8314 571 V 3.9053 7.6454 119.1367 66.4723 31.2029 177.7146 572 D 4.3746 8.1975 117.6275 56.9469 40.6606 178.5253 573 A 3.9787 7.9654 121.2573 55.1782 18.4300 179.5932 574 I 3.4444 7.7787 118.3342 64.5177 36.8319 178.4550 575 C 3.7783 7.4462 116.6383 62.2749 27.8020 175.4873 576 Q 4.0930 6.8882 119.8832 57.9391 29.0556 176.8351 577 Q 4.4210 7.6733 114.7432 53.8175 30.3683 175.7085 578 N 4.1262 7.7879 117.5068 52.2820 39.7528 173.4667 579 F 4.1025 7.8281 118.5376 57.6647 39.6963 175.3265 580 D 4.4943 8.3325 123.5246 52.7753 42.8690 175.8705 581 W 4.3871 8.8523 124.8020 58.6015 28.5781 178.4294 582 R 3.4160 7.4203 118.1834 58.4254 29.7253 177.8635 583 V 3.6921 6.9435 116.8601 65.9805 31.3090 176.6272 584 C 4.4398 8.1322 113.8668 59.1241 29.4156 174.5723 585 G 4.0915 8.2885 106.9790 44.3297 0.0000 172.2475 586 V 4.4255 8.0142 117.0364 60.2831 33.7780 176.0257 587 H 4.7501 8.2421 122.5033 54.4811 29.6721 173.4150 *590 S 4.1624 7.7249 112.2267 58.6099 63.5287 172.4388 591 Y 4.6161 9.3353 123.9044 57.1636 38.2923 174.8339 592 G 4.4720 7.0073 105.3228 43.5540 0.0000 175.8442 593 K 3.7726 8.8414 122.1222 54.3966 30.2375 176.0185 594 G 3.2376 6.6954 107.9305 44.3109 0.0000 169.6496 595 S 4.6192 8.5574 115.1983 58.7231 63.9176 173.5609 596 Y 4.9247 8.1617 120.0769 56.4448 40.4566 175.1223 597 F 5.0674 8.8726 119.6136 56.0240 44.2523 173.2655 598 A 5.1830 9.2006 123.1872 50.1796 21.6566 176.9577 599 R 3.9325 9.1566 123.3078 59.2273 30.9727 176.6219 600 D 4.8439 8.1501 119.0441 52.4761 42.4924 176.8229 601 A 3.0867 8.3111 126.3026 55.2459 17.6923 179.2570 602 A 3.7979 7.5785 118.0417 55.1070 17.6613 178.9270 603 Y 4.0662 8.0711 118.3902 60.8974 38.8965 177.9246 604 S 4.6613 8.3113 115.4999 61.3879 62.9614 175.6070 605 H 4.2465 8.1148 121.1001 60.0638 29.2897 176.5602 606 H 3.8183 7.3981 116.5391 58.6112 28.5249 176.2181 607 Y 4.4400 7.9394 116.0472 57.5413 40.0043 176.8394 608 S 5.0321 7.7557 118.1074 56.3819 61.4550 172.8186 609 K 4.1607 7.8877 121.4660 56.3108 32.8954 176.7870 610 S 4.6027 8.0841 116.3808 56.8736 65.5058 173.5031 611 D 4.4312 8.6591 125.9055 56.9412 41.0629 176.9161 612 T 4.3536 7.3798 107.6384 60.9038 71.1886 173.7404 613 Q 4.4596 8.4148 118.3733 56.6414 30.0210 175.3684 614 T 4.8744 7.2992 109.7139 60.5384 70.3325 173.9918 615 H 4.8268 8.9377 122.1138 54.1077 32.7154 172.4321 616 T 5.5596 7.8524 114.5291 60.8304 73.4024 172.9647 *618 F 4.8041 8.3556 119.8925 57.6373 41.1847 174.3000 619 L 4.8558 8.9696 124.5645 53.9171 43.0888 175.1397 620 A 5.1500 9.2719 129.2136 50.6146 21.7305 175.4028 621 R 4.7268 8.6594 121.0822 55.2623 31.7698 175.4809 622 V 4.7063 8.7003 126.2056 61.1765 34.8755 174.4792 623 L 4.5817 9.0688 129.0811 54.1512 40.3332 176.8658 624 V 3.7249 8.4015 118.2273 60.7364 32.3851 178.7376 625 G 3.6749 8.2869 108.7884 46.9564 0.0000 174.6647 626 E 4.5915 9.2985 124.1713 54.3534 31.1582 174.2422 627 F 5.9041 8.0133 118.2421 54.1129 41.7461 174.1051 628 V 4.4160 7.9766 117.1001 59.6583 34.9815 174.0720 629 R 4.3210 8.5624 122.4597 56.7145 30.5303 176.6110 630 G 4.3104 9.0768 114.0813 45.5468 0.0000 172.1727 631 N 4.6747 8.0671 115.8715 51.5748 41.5772 174.8059 632 A 3.9517 8.5023 128.1240 55.1877 18.5049 178.8993 633 S 4.3470 7.6598 108.8142 60.2243 64.0307 174.8922 634 F 4.5271 7.9474 121.1997 58.0600 38.8790 175.9824 635 V 4.4085 8.3049 117.0019 61.4563 32.7294 175.2597 636 R 3.5087 6.7774 116.9142 53.2886 34.1661 172.7083 637 P 4.1702 0.0000 0.0000 61.7015 32.1138 175.0836 638 P 4.4086 0.0000 0.0000 62.3366 32.6451 175.5792 639 A 3.6536 8.3639 123.6605 51.7728 18.8141 177.8186 640 K 3.8643 7.6547 121.3910 55.5545 32.9645 177.0526 641 E 3.8299 8.6621 124.4027 55.7521 30.4115 177.5019 642 G 3.5554 7.6163 112.8127 44.6164 0.0000 171.9129 643 W 4.6444 7.5445 115.3878 56.5979 29.9360 176.9533 644 S 4.2469 7.1067 112.0636 57.5600 62.7065 173.1127 645 N 3.8213 7.2069 117.2441 54.7003 37.7604 173.9442 646 A 4.3560 7.2251 117.7914 50.9957 20.0934 177.0394 647 F 4.8464 7.9723 116.7715 55.3443 42.7669 174.8197 648 Y 4.3188 8.1154 120.8438 58.8170 38.0606 176.0073 649 D 4.9611 9.0021 120.2291 55.2035 42.1607 176.7058 650 S 4.8520 7.8365 111.0761 58.1133 66.0386 174.3466 651 C 5.8730 8.8768 118.4249 57.7825 31.7617 172.9866 652 V 4.6284 7.9546 117.4700 61.2191 33.4976 174.5430 653 N 3.3847 7.8627 119.1476 55.0276 38.3664 175.6650 654 S 4.3960 7.1465 113.3380 56.7027 65.5189 174.6966 655 V 3.9299 8.4530 128.0028 65.8120 31.7736 177.2625 656 S 4.2863 8.0556 113.5079 60.8770 63.0362 173.8363 657 D 4.5532 7.8884 120.5517 51.5734 41.4306 170.7498 658 P 4.4122 0.0000 0.0000 60.9704 32.3509 176.7665 659 S 4.6893 8.4645 115.7855 57.6706 65.8368 173.3649 660 I 4.8579 7.6037 121.9481 59.3672 40.4590 174.3055 661 F 4.8463 9.1943 125.5498 55.4907 42.1067 174.4411 662 V 4.2447 8.3831 123.1833 60.9502 33.9124 174.2188 663 I 4.8202 8.2301 128.2491 59.7502 39.5463 176.2810 664 F 4.5893 9.1623 124.2306 57.2317 40.1944 175.0884 665 E 4.6378 8.0061 122.1700 53.7954 31.2215 175.6509 666 K 3.9403 9.0301 128.3554 60.1820 32.2580 177.9430 667 H 4.6676 8.7261 114.4617 57.8165 28.8756 176.5529 668 Q 4.3109 8.2925 118.4978 56.3016 28.8675 175.5060 669 V 4.9486 7.9560 117.8916 60.9765 34.5366 173.7192 670 Y 4.6098 8.6875 127.6916 55.0586 41.2449 173.3195 671 P 4.9168 0.0000 0.0000 62.6816 29.1995 175.4030 672 E 4.0455 8.5378 129.7549 59.4076 31.3486 175.4545 673 Y 5.2957 8.3749 116.0718 56.0998 42.4371 174.7386 674 V 4.1433 8.7860 123.3977 61.2672 33.6471 174.3306 675 I 4.7262 8.2470 128.9028 59.7569 39.4013 174.1289 676 Q 4.9091 8.9875 130.0438 54.7618 30.6845 173.9998 677 Y 5.3951 8.7448 123.5382 55.7617 42.3944 173.6757 678 T 5.0578 9.3260 114.5663 60.7034 70.6661 173.9206 679 T 4.0683 8.5914 121.1705 62.0075 68.0050 174.8164 680 S 4.4415 8.1054 120.5038 59.0973 63.2552 173.8360 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 496 P 0.00 4.39 0.00 1.92 2.08 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 497 G 8.12 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 0.00 0.00 0.00 498 F 7.34 5.45 0.00 3.12 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 0.00 499 Q 9.21 4.59 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 500 K 8.68 4.95 0.00 1.70 1.83 0.00 1.98 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.74 7.81 501 I 8.77 4.37 1.91 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 1.24 0.56 0.95 0.00 0.00 502 T 8.58 4.50 4.27 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 1.26 0.00 0.00 503 L 8.64 4.63 0.00 1.80 1.74 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 504 S 8.49 4.25 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 S 8.12 2.79 0.00 3.20 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 0.00 506 S 7.39 4.42 0.00 3.96 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 0.00 507 S 7.73 4.45 0.00 4.11 4.06 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 0.00 508 E 8.77 3.95 0.00 2.08 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 2.42 2.41 0.00 509 E 8.19 3.94 0.00 2.14 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 2.44 2.49 0.00 510 Y 8.03 3.99 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 Q 8.38 4.28 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 512 K 8.15 4.03 0.00 1.95 1.85 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.70 7.81 513 V 7.21 3.45 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 0.81 0.00 0.00 0.06 0.00 0.00 514 W 8.25 3.91 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 N 8.59 4.18 0.00 3.22 3.09 0.00 0.00 7.28 6.18 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 0.00 516 L 7.54 4.03 0.00 1.90 1.90 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 517 F 8.21 3.88 0.00 3.06 2.88 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 0.00 0.00 0.00 0.00 518 N 8.01 3.77 0.00 1.44 2.00 0.00 0.00 7.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 R 7.22 3.75 0.00 1.95 1.88 0.00 3.14 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 520 T 7.30 4.28 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 1.13 0.00 0.00 521 L 6.83 4.14 0.00 0.69 0.64 0.44 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 522 P 0.00 4.65 0.00 1.72 1.90 0.00 2.47 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.38 0.00 523 F 7.28 5.13 0.00 2.94 2.97 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 0.00 524 Y 7.51 5.44 0.00 2.97 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 0.00 525 F 9.18 5.05 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 V 8.28 4.01 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 0.69 0.00 0.00 0.57 0.00 0.00 527 Q 8.74 4.32 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.43 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 528 K 7.51 4.67 0.00 1.84 1.90 0.00 1.47 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.45 7.81 529 I 8.34 5.02 1.74 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.41 0.79 0.00 0.00 530 E 9.36 5.22 0.00 1.90 1.88 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 0.00 2.27 2.25 0.00 531 R 9.16 4.58 0.00 2.04 1.86 0.00 3.16 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 532 V 8.34 4.47 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 0.77 0.00 0.00 1.04 0.00 0.00 533 Q 9.28 4.55 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 534 N 9.21 5.35 0.00 2.92 2.85 0.00 0.00 6.59 6.11 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 0.00 535 L 8.86 4.06 0.00 1.85 1.72 0.97 1.03 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 0.00 536 A 8.25 4.07 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 0.00 537 L 8.23 4.16 0.00 1.96 2.02 0.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 538 W 8.64 3.96 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 E 8.58 3.98 0.00 2.28 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 2.43 2.64 0.00 540 V 7.67 3.79 1.88 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 0.69 0.00 0.00 1.08 0.00 0.00 541 Y 7.71 4.31 0.00 3.18 2.85 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 0.00 542 Q 8.06 3.66 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 1.30 1.93 0.00 543 W 8.29 3.96 0.00 3.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 Q 8.09 3.62 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 545 K 7.59 3.81 0.00 1.39 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.26 7.81 546 G 7.48 3.64 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 0.00 0.00 0.00 547 Q 7.06 3.87 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.34 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 *549 Q 8.02 4.17 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 550 K 8.11 3.90 0.00 1.85 1.76 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.46 7.81 551 Q 7.78 4.01 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 552 N 7.80 4.47 0.00 2.74 2.72 0.00 0.00 7.00 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 0.00 553 G 7.57 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 0.00 554 G 7.91 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 0.00 555 K 7.51 4.13 0.00 1.97 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.00 7.81 556 A 8.21 4.06 1.21 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 0.00 0.00 557 V 8.05 3.95 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 0.83 0.00 0.00 558 D 8.80 4.42 0.00 2.79 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 0.00 559 E 8.74 5.06 0.00 2.07 1.77 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 2.23 2.35 0.00 560 R 9.02 4.70 0.00 1.35 1.52 0.00 2.53 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 561 Q 8.51 4.84 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 562 L 8.76 4.83 0.00 1.40 1.67 0.27 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 563 F 9.43 5.24 0.00 3.21 3.08 0.00 0.00 0.00 0.00 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0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 572 D 8.20 4.37 0.00 2.82 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 A 7.97 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 I 7.78 3.44 1.70 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 1.07 0.63 -0.88 0.00 0.00 575 C 7.45 3.78 0.00 1.94 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 0.00 0.00 0.00 576 Q 6.89 4.09 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 577 Q 7.67 4.42 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 5.50 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 578 N 7.79 4.13 0.00 2.78 2.86 0.00 0.00 7.15 6.58 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 0.00 579 F 7.83 4.10 0.00 3.08 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 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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 0.00 599 R 9.16 3.93 0.00 1.96 2.04 0.00 3.28 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 600 D 8.15 4.84 0.00 2.80 2.54 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 0.00 0.00 0.00 0.00 601 A 8.31 3.09 -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 0.00 602 A 7.58 3.80 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 0.00 603 Y 8.07 4.07 0.00 3.19 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 0.00 604 S 8.31 4.66 0.00 4.18 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 0.00 605 H 8.11 4.25 0.00 3.32 3.51 0.00 5.80 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 0.00 606 H 7.40 3.82 0.00 3.02 2.80 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 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0.00 0.00 615 H 8.94 4.83 0.00 1.40 2.81 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 T 7.85 5.56 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 1.19 0.00 0.00 *618 F 8.36 4.80 0.00 3.51 3.37 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 0.00 619 L 8.97 4.86 0.00 1.92 1.82 0.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 620 A 9.27 5.15 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 0.00 621 R 8.66 4.73 0.00 2.11 1.63 0.00 3.12 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 622 V 8.70 4.71 1.69 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 0.62 0.00 0.00 0.13 0.00 0.00 623 L 9.07 4.58 0.00 1.39 1.50 0.16 0.73 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 0.00 624 V 8.40 3.72 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 0.15 0.00 0.00 1.06 0.00 0.00 625 G 8.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 E 9.30 4.59 0.00 1.99 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 0.00 2.15 2.17 0.00 627 F 8.01 5.90 0.00 2.88 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 0.00 628 V 7.98 4.42 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 0.00 0.00 0.42 0.00 0.00 0.74 0.00 0.00 629 R 8.56 4.32 0.00 1.81 1.89 0.00 3.26 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 630 G 9.08 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 631 N 8.07 4.67 0.00 1.60 1.42 0.00 0.00 6.74 8.76 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 0.00 632 A 8.50 3.95 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 0.00 633 S 7.66 4.35 0.00 4.05 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 0.00 634 F 7.95 4.53 0.00 3.26 2.95 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 0.00 635 V 8.30 4.41 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 0.80 0.00 0.00 0.90 0.00 0.00 636 R 6.78 3.51 0.00 1.35 1.33 0.00 2.67 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.43 0.00 637 P 0.00 4.17 0.00 2.28 2.10 0.00 3.41 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 638 P 0.00 4.41 0.00 2.11 1.80 0.00 3.52 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.20 0.00 639 A 8.36 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 K 7.65 3.86 0.00 1.21 1.32 0.00 1.27 0.00 0.00 1.18 0.00 0.00 2.64 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.43 7.81 641 E 8.66 3.83 0.00 1.89 1.79 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 2.27 2.29 0.00 642 G 7.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 W 7.54 4.64 0.00 3.50 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 0.00 644 S 7.11 4.25 0.00 3.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 645 N 7.21 3.82 0.00 2.96 2.88 0.00 0.00 7.04 7.84 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 0.00 646 A 7.23 4.36 0.98 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 0.00 0.00 647 F 7.97 4.85 0.00 2.90 2.86 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 0.00 648 Y 8.12 4.32 0.00 2.96 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 0.00 649 D 9.00 4.96 0.00 2.87 2.78 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 0.00 650 S 7.84 4.85 0.00 4.14 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 651 C 8.88 5.87 0.00 3.13 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 0.00 652 V 7.95 4.63 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 -0.25 0.00 0.00 653 N 7.86 3.38 0.00 2.22 1.87 0.00 0.00 5.77 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 0.00 654 S 7.15 4.40 0.00 3.70 3.60 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 0.00 655 V 8.45 3.93 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 0.92 0.00 0.00 0.98 0.00 0.00 656 S 8.06 4.29 0.00 4.01 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 0.00 657 D 7.89 4.55 0.00 2.58 2.51 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 0.00 0.00 0.00 0.00 658 P 0.00 4.41 0.00 1.17 1.34 0.00 3.34 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 659 S 8.46 4.69 0.00 3.72 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 0.00 660 I 7.60 4.86 1.50 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.11 0.96 0.00 0.00 661 F 9.19 4.85 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 V 8.38 4.24 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 -0.05 0.00 0.00 0.13 0.00 0.00 663 I 8.23 4.82 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.13 0.98 0.00 0.00 664 F 9.16 4.59 0.00 2.99 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 0.00 665 E 8.01 4.64 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 666 K 9.03 3.94 0.00 1.89 1.78 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.56 7.81 667 H 8.73 4.67 0.00 3.37 3.60 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 Q 8.29 4.31 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 669 V 7.96 4.95 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 0.85 0.00 0.00 0.71 0.00 0.00 670 Y 8.69 4.61 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 671 P 0.00 4.92 0.00 1.61 1.18 0.00 2.90 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.00 672 E 8.54 4.05 0.00 2.17 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 1.47 2.34 0.00 673 Y 8.37 5.30 0.00 3.10 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 0.00 674 V 8.79 4.14 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 0.62 0.00 0.00 0.76 0.00 0.00 675 I 8.25 4.73 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.01 0.36 0.00 0.00 676 Q 8.99 4.91 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 677 Y 8.74 5.40 0.00 3.27 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 0.00 678 T 9.33 5.06 4.48 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 1.60 0.00 0.00 679 T 8.59 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 680 S 8.11 4.44 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.