NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 429 L 4.2497 8.1849 122.4893 54.8865 43.1872 175.8279 430 I 4.3699 8.1210 126.6679 59.8221 39.3193 174.4905 431 T 4.4777 8.9507 121.7182 62.4832 71.9143 175.9330 432 D 4.3686 8.4639 123.1290 57.7905 41.2266 179.2029 433 Q 4.1470 8.0875 117.4735 59.3481 28.4426 178.7368 434 S 4.0706 8.0314 116.8090 61.6578 62.7831 176.6264 435 R 4.3174 7.8997 119.2393 59.0986 30.1299 178.7949 436 E 4.1492 8.6460 118.9572 59.4694 29.4481 178.8839 437 E 3.8895 8.0780 118.8269 59.1508 29.0281 178.2403 438 F 4.0150 8.1376 120.7994 61.6511 39.1320 176.6782 439 D 4.3477 7.9061 115.5415 57.0882 41.1870 177.5004 440 I 4.4467 6.9717 113.9333 60.5202 38.0895 175.5783 441 L 4.4509 7.5098 120.4157 53.0044 42.8443 175.0465 442 R 4.7251 7.8994 123.2612 53.9119 33.6044 175.3196 443 Y 4.1199 8.5576 119.7884 58.2219 39.3365 175.1620 444 S 5.0779 8.8436 120.1855 57.6312 63.4936 174.1041 445 T 4.5704 8.8572 114.9618 61.8350 69.5158 175.4530 446 L 4.7456 7.9243 120.6123 54.8045 42.3659 176.4626 447 N 4.6240 8.1003 117.4776 55.2332 39.4439 175.9697 448 T 4.0550 7.7917 111.2569 62.0938 67.9555 173.4340 449 N 4.3637 8.4687 122.5019 52.5886 40.1977 174.3255 450 A 4.3728 8.0116 122.1035 50.6376 20.5950 175.6813 451 Y 4.9691 8.1976 119.0003 58.0999 38.9727 177.5635 452 D 4.3078 8.3369 121.6315 57.4000 41.1252 176.7902 453 Y 4.3965 7.9617 114.1103 57.9573 38.2700 174.8126 454 F 4.7736 7.9657 118.9038 56.1801 40.4574 176.1034 455 G 3.9771 9.0085 109.4251 46.6928 0.0000 173.8074 456 K 4.7010 8.9652 120.5558 56.3730 33.9555 175.6063 457 T 4.7612 7.8431 117.3981 61.7834 70.3974 173.7133 458 L 4.6648 8.6071 129.0778 54.0963 43.8228 174.5498 459 Y 4.9167 9.1332 125.0681 56.7009 39.8122 174.8440 460 V 5.5366 8.8872 124.0591 60.2298 35.0686 173.3750 461 Y 5.3785 8.8089 128.1153 55.6585 41.7482 173.9044 462 L 5.1193 8.2647 125.8041 53.8730 44.3419 175.0477 463 D 4.9335 8.3788 121.0504 51.6592 42.9668 173.2064 464 P 4.4684 0.0000 0.0000 62.2890 32.9281 174.1529 465 A 3.7461 8.6641 126.8168 53.5387 18.2701 177.4506 *475 T 4.3775 7.9675 120.9445 60.9059 69.6028 173.1344 476 G 4.5874 8.4633 116.0853 44.9041 0.0000 171.2475 477 V 5.1979 8.6884 120.3617 61.0842 35.5614 173.8121 478 A 5.3316 9.1980 127.9212 50.1770 22.9098 174.4459 479 A 5.3355 9.0171 122.9607 50.2708 21.9701 175.6320 480 V 5.0892 9.5923 121.3537 61.8461 36.2417 173.8744 481 G 5.0538 9.0307 109.5583 45.7866 0.0000 171.3418 482 A 5.1641 8.8420 120.8085 50.2662 22.0703 175.5399 483 Y 4.2845 8.0298 121.3570 55.2413 41.2082 175.5345 484 R 3.1055 7.8894 128.8266 58.1769 29.2311 176.9047 485 H 4.3622 8.4471 122.9840 56.7917 28.6828 173.8897 486 Q 4.6211 7.5125 120.0225 53.9632 32.6549 174.1362 487 F 5.5552 9.2660 117.2310 56.1650 43.6785 174.4307 488 L 5.3832 8.8910 121.1553 54.2912 44.4164 175.0719 489 I 4.6359 8.7401 122.7249 60.5605 38.4285 175.9243 490 Y 4.5101 9.0124 125.3794 59.8087 39.7000 175.6946 491 G 4.6028 8.0173 104.0588 45.6447 0.0000 172.1357 492 L 5.3077 8.1689 118.4320 53.8291 46.3288 174.9185 493 E 4.9190 9.4258 122.3409 54.8762 34.3494 174.3770 494 H 5.3555 9.0357 121.2431 54.7636 32.0848 172.2220 495 F 5.0562 8.8607 127.7910 55.8543 42.2462 174.9773 496 F 4.5479 6.5694 118.9531 56.1696 39.4666 175.0561 *502 E 4.2313 7.6476 115.6684 56.5272 31.6745 179.3433 503 S 4.0969 8.3028 117.3027 61.8003 62.9553 176.0162 504 S 4.1877 8.2329 116.3959 61.8321 62.4802 176.0472 505 E 3.9004 8.0232 122.7310 59.0055 29.3039 179.8147 506 V 3.5077 7.7723 116.9049 66.0480 31.7034 177.6768 507 A 4.0267 8.4862 121.0923 55.0795 18.2133 179.6665 508 I 3.2388 8.2920 111.8632 63.6552 37.7203 178.1074 509 A 3.9355 7.8034 122.5662 55.2836 18.2164 179.6097 510 E 3.8892 8.5647 117.1523 59.4581 29.1801 179.1950 511 C 3.9748 7.8080 118.7754 62.1167 31.5000 175.5443 512 A 3.9857 7.9680 122.2800 54.9831 17.9635 179.4015 513 A 3.8988 8.3047 119.7391 55.5303 18.4729 178.8735 514 H 3.9831 8.1017 116.8006 60.0151 29.7362 176.8333 515 M 4.1897 7.8624 119.1785 58.6722 32.0220 178.1128 516 I 3.6613 7.7494 119.8656 64.5938 37.3371 178.3649 517 I 3.6611 8.3570 120.7665 64.6396 36.9365 178.7961 518 S 4.1337 8.1521 115.9067 61.3737 62.7799 176.7302 519 V 3.6154 8.0371 121.2166 66.2141 31.0350 178.0837 520 L 3.8066 7.8787 117.5104 57.7762 41.4424 179.2323 521 S 4.1597 7.6750 112.4155 61.1651 62.4418 175.7636 522 L 4.2107 7.7633 120.2215 55.7208 42.9967 176.9731 523 H 4.5780 7.3808 116.3034 53.0021 28.2342 172.5535 524 P 4.2632 0.0000 0.0000 63.9004 31.7950 178.1111 525 Y 3.9417 6.6881 116.9562 59.0251 38.2525 176.2383 526 L 4.0937 6.6820 121.8280 54.9876 41.9351 176.6684 527 D 4.7736 9.0817 121.6458 52.9409 41.0631 174.4482 528 E 4.7424 7.9486 118.2782 55.3633 33.6456 173.2331 529 L 4.8640 8.5378 127.2008 53.2709 45.0215 175.1003 530 R 4.7336 8.6646 126.0674 54.3456 32.5653 174.9301 531 I 5.0362 8.8347 125.2878 59.3164 40.4445 174.4526 532 A 5.2309 9.3159 128.5864 50.1507 21.9052 175.1273 533 V 4.5987 8.4143 121.8389 60.6980 34.1180 174.3309 534 E 4.6311 8.8493 130.4084 55.9797 30.1873 176.5088 535 G 4.0535 8.9322 114.1662 46.0475 0.0000 173.8695 536 N 4.4547 8.9320 118.1320 56.1486 37.1129 176.2677 537 T 4.0190 7.5849 115.4710 64.6308 69.3317 176.2429 538 N 4.6777 7.4133 122.9256 51.5611 37.6141 174.6350 539 Q 3.3879 7.8372 125.4621 58.4502 29.6269 177.0886 540 A 3.9175 7.8081 120.9750 55.2165 18.3955 179.3498 541 A 3.9117 7.8936 118.5396 54.8675 18.4324 179.1704 542 A 3.9996 8.0649 119.6639 55.5717 18.4245 179.8095 543 V 3.5120 7.5950 115.6314 66.3745 31.7132 178.5355 544 R 3.8830 8.0188 117.4877 59.3353 29.9157 179.0525 545 I 3.6786 8.5613 120.1006 64.2094 37.1652 178.3096 546 A 3.7922 8.1036 121.8674 55.1744 18.2080 179.3283 547 C 3.8973 7.8077 112.9712 61.6492 29.6511 176.1983 548 L 4.0518 7.7161 120.9016 57.2850 41.2171 179.3890 549 I 3.7850 8.3030 120.4364 64.2539 36.9476 178.4510 550 R 4.0731 7.9899 119.3377 59.4684 29.9602 178.5487 551 Q 3.9807 8.1712 117.7492 59.1226 28.5209 178.7726 552 S 4.0910 7.8808 115.6460 61.7265 62.9679 177.0318 553 V 3.6104 7.8437 120.4870 66.3521 31.1124 178.1841 554 Q 4.2958 7.9685 117.3955 58.3644 28.5401 178.6017 555 S 4.2978 8.4060 115.9229 60.9088 62.9500 175.9813 556 S 4.4781 7.4819 116.6613 59.6251 63.5384 174.0414 557 T 4.4096 7.3494 113.8859 60.5577 70.3040 172.3866 558 L 4.3705 8.2583 128.2003 54.4488 41.5828 175.5323 559 I 4.5600 7.7653 124.9943 59.1433 41.5183 174.2342 560 R 3.9377 8.7080 126.4418 57.1259 30.9186 175.7988 561 V 4.6578 8.4634 117.3934 59.4702 34.6933 174.7045 562 L 5.2261 8.9003 125.7232 52.8368 45.3340 175.6111 563 F 5.5979 9.2330 120.7878 55.4821 42.6636 174.1856 564 Y 3.8708 9.2841 124.7009 58.3241 39.5101 174.4168 565 H 5.1640 8.3571 123.8896 54.2984 31.4265 173.8180 566 T 4.7363 8.3484 118.9646 60.9440 72.2078 171.5851 567 P 5.3053 0.0000 0.0000 62.1108 32.8160 174.6102 568 D 4.6627 8.5829 119.4557 53.4547 45.8565 178.6465 569 Q 3.3546 9.9103 123.9778 56.9910 28.1753 175.3559 570 N 4.3371 9.1661 124.3669 55.7593 39.5650 174.6224 571 H 4.2089 8.8051 115.0868 56.3411 26.4641 174.7571 572 I 4.2964 7.5628 111.8583 60.0047 39.6755 174.7070 573 E 4.5720 8.7796 125.0257 56.5626 29.9213 176.1043 574 Q 4.8314 9.1591 124.4251 52.5215 32.1754 174.4263 575 P 4.7870 0.0000 0.0000 62.3424 29.8449 175.3188 576 F 5.3378 7.4638 112.7122 56.3515 42.0214 173.8554 577 Y 4.5751 9.3119 121.1651 55.9165 40.9871 174.5446 578 L 4.6046 7.9781 126.9309 53.1821 42.1008 176.0380 579 M 4.1584 8.7349 124.4778 55.5961 34.0062 174.8964 580 G 3.8623 7.6795 117.3879 44.3610 0.0000 177.0604 581 R 4.0101 8.7000 123.6083 58.6938 29.7417 177.7802 582 D 4.1615 8.1332 118.3740 56.4844 40.7013 178.0666 583 K 3.5919 7.8536 120.6298 59.7233 32.0245 178.3832 584 A 3.9631 7.4700 120.2165 55.0837 18.2672 179.6224 585 L 3.9290 7.8033 116.8283 57.9226 41.7211 179.4218 586 A 4.0149 8.0342 121.0564 54.9028 18.1505 179.9843 587 V 3.4769 7.7438 116.8612 66.0798 31.6732 177.7319 588 E 3.9223 8.2963 119.2132 59.4320 29.3885 178.5993 589 Q 3.9832 8.2704 119.3879 59.2688 29.1750 177.8122 590 F 4.0988 8.5799 121.9856 61.4272 39.3512 177.2961 591 I 3.5406 7.8872 119.2712 64.2811 36.8763 177.8451 592 S 4.0053 7.9079 114.0272 61.8816 62.0348 176.4648 593 R 3.8566 8.0654 120.2962 59.3730 29.9509 178.9322 594 F 3.7084 7.7674 120.2273 61.0990 39.0808 177.1259 595 N 4.9073 7.7446 116.4484 55.7201 38.4059 176.9101 596 S 4.0926 7.2795 114.6473 58.5926 62.9107 175.1332 597 G 3.7125 7.1451 109.3602 46.1286 0.0000 173.9873 598 Y 4.7790 7.9139 116.9486 58.8724 39.0234 174.9864 599 I 5.1999 7.7068 120.3798 59.6040 39.7761 174.7665 600 K 5.0346 9.5374 125.6078 54.6711 36.9334 175.1341 601 A 4.9909 8.1593 122.2418 50.9252 21.8795 175.6620 602 S 5.1423 8.3087 113.6132 56.5885 63.9876 175.2111 603 Q 4.0375 9.4608 127.7771 58.6660 28.9373 176.8958 604 E 4.6713 7.8411 115.7321 55.5253 29.9744 175.4593 605 L 4.2399 7.5079 120.5095 55.9983 42.9385 176.5773 606 V 4.3201 8.7646 125.0609 61.2613 33.3808 174.5155 607 S 5.2493 8.3626 121.3185 57.0947 66.1460 173.3268 608 Y 4.8447 9.5381 114.0795 57.7090 40.8221 176.3040 609 T 4.5446 8.3528 108.0668 61.6960 70.5579 174.7512 610 I 4.3240 7.3977 122.3290 59.9018 37.1528 173.8711 611 K 4.3384 8.1169 124.1472 56.1656 34.3160 178.5293 612 L 3.5794 7.6481 118.7713 58.6670 41.9039 178.1671 613 S 4.1248 7.8852 113.1630 59.3264 62.6887 173.3410 614 H 4.8420 7.7807 117.6714 53.8942 30.2537 174.0498 615 D 4.6610 8.5929 124.0363 52.6378 42.6796 174.8230 616 P 4.3560 0.0000 0.0000 66.4250 31.2327 178.6915 617 I 3.8946 7.6816 119.1509 63.9864 36.8998 178.1235 618 E 4.1854 8.4212 119.7134 59.3339 29.4692 178.0360 619 Y 4.1487 8.3858 119.8931 60.3625 38.8703 177.3728 620 L 4.0764 8.3048 121.6134 57.8281 42.2054 178.4519 621 L 4.1211 8.5525 120.2572 57.2674 41.5060 178.1611 622 E 4.1273 7.9184 119.4134 58.9730 29.4427 178.2230 623 Q 3.9675 7.3009 116.0787 58.5049 28.7930 178.1996 624 I 3.6862 7.4347 120.7251 64.1768 37.2137 178.0741 625 Q 4.1065 7.5040 115.3849 57.8696 28.9169 176.4637 626 N 4.7777 7.4940 117.4616 52.3044 40.2720 174.2673 627 L 4.4952 7.2567 121.1700 53.5448 44.1376 174.5258 628 H 5.0319 8.2846 120.9830 54.6375 33.4726 173.5747 629 R 4.5251 8.2110 117.9090 55.2700 29.8964 176.0168 *650 D 4.5993 7.7060 119.3363 53.3480 41.6592 177.9522 651 D 4.4106 8.1608 119.2159 57.3239 40.6182 178.7115 652 L 4.0404 7.8540 119.9119 57.9416 42.2745 178.7033 653 I 3.5403 7.6930 118.0750 63.8719 37.8237 177.7020 654 I 3.4896 7.5612 120.2901 64.1907 36.8902 178.2264 655 A 4.1606 7.5759 120.9379 55.2646 18.3886 179.9305 656 V 3.5734 7.7568 116.8221 65.9739 31.5780 178.2831 657 I 3.4604 7.8327 119.9348 64.6964 36.8692 178.3740 658 M 3.8628 7.9947 119.4916 57.8824 31.3613 178.7643 659 A 4.0654 7.8237 120.7224 55.2009 18.9581 179.5061 660 T 3.5553 7.7346 107.9602 64.8960 68.8833 175.7458 661 Y 4.2424 7.8276 123.2824 60.4622 38.6680 178.1789 662 L 4.0867 7.8577 116.2425 56.3869 41.6794 178.0675 663 C 3.0972 7.3766 116.0076 61.4202 28.5364 174.1161 664 D 4.5910 7.6617 119.7487 53.8011 41.1212 176.9617 665 D 4.4259 8.8216 122.0075 57.8010 40.4994 179.0990 666 I 3.6079 7.7201 117.7176 64.0888 38.3084 176.5814 667 H 4.7089 8.2981 115.0706 56.2355 28.8816 176.9556 668 A 4.2713 8.2060 124.3243 55.5231 18.0920 179.7469 669 I 3.7703 7.8651 115.7450 64.2557 37.5353 177.6299 670 R 3.7693 7.9604 118.5653 57.5759 30.1018 175.6773 671 F 5.2495 7.9644 117.4328 56.1833 40.1177 175.6131 672 R 4.8169 8.8663 121.4686 53.7494 35.0037 174.7419 673 V 4.1855 8.5239 120.5755 63.2096 32.0256 176.0902 674 S 4.4807 8.3089 121.2200 58.8255 62.7971 173.9351 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 429 L 8.18 4.25 0.00 1.62 1.65 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 430 I 8.12 4.37 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.76 0.00 0.00 431 T 8.95 4.48 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 432 D 8.46 4.37 0.00 2.78 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 0.00 433 Q 8.09 4.15 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 434 S 8.03 4.07 0.00 3.98 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 0.00 435 R 7.90 4.32 0.00 2.05 2.12 0.00 3.19 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 436 E 8.65 4.15 0.00 2.01 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 2.36 2.60 0.00 437 E 8.08 3.89 0.00 2.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 438 F 8.14 4.01 0.00 3.16 3.38 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 0.00 439 D 7.91 4.35 0.00 2.99 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 0.00 440 I 6.97 4.45 1.84 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 1.39 0.70 0.87 0.00 0.00 441 L 7.51 4.45 0.00 1.63 1.38 0.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 442 R 7.90 4.73 0.00 1.79 1.81 0.00 3.18 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 443 Y 8.56 4.12 0.00 3.04 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 0.00 444 S 8.84 5.08 0.00 3.78 3.88 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 0.00 445 T 8.86 4.57 4.59 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 1.54 0.00 0.00 446 L 7.92 4.75 0.00 1.68 1.75 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 447 N 8.10 4.62 0.00 2.75 2.89 0.00 0.00 6.99 7.54 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 0.00 448 T 7.79 4.06 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 1.30 0.00 0.00 449 N 8.47 4.36 0.00 2.57 2.66 0.00 0.00 6.75 7.35 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 0.00 450 A 8.01 4.37 1.15 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 0.00 0.00 0.00 0.00 0.00 451 Y 8.20 4.97 0.00 3.01 2.67 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 0.00 452 D 8.34 4.31 0.00 2.35 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 0.00 0.00 0.00 0.00 453 Y 7.96 4.40 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 F 7.97 4.77 0.00 3.13 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 0.00 455 G 9.01 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 0.00 0.00 0.00 456 K 8.97 4.70 0.00 1.79 2.07 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.73 7.81 457 T 7.84 4.76 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 0.42 0.00 0.00 458 L 8.61 4.66 0.00 1.64 1.38 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 459 Y 9.13 4.92 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 V 8.89 5.54 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 1.05 0.00 0.00 0.95 0.00 0.00 461 Y 8.81 5.38 0.00 3.09 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 0.00 462 L 8.26 5.12 0.00 1.76 1.66 0.89 0.84 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 0.00 463 D 8.38 4.93 0.00 2.81 2.62 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 0.00 0.00 0.00 0.00 464 P 0.00 4.47 0.00 2.20 2.02 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 465 A 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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 1.00 0.00 0.00 0.93 0.00 0.00 554 Q 7.97 4.30 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 555 S 8.41 4.30 0.00 3.79 3.92 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 0.00 556 S 7.48 4.48 0.00 3.92 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 0.00 557 T 7.35 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 558 L 8.26 4.37 0.00 1.60 1.56 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 559 I 7.77 4.56 1.80 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 1.25 0.80 0.84 0.00 0.00 560 R 8.71 3.94 0.00 1.88 1.80 0.00 3.15 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 561 V 8.46 4.66 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 0.80 0.00 0.00 0.99 0.00 0.00 562 L 8.90 5.23 0.00 1.47 1.64 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 563 F 9.23 5.60 0.00 3.10 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 0.00 564 Y 9.28 3.87 0.00 2.80 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 0.00 565 H 8.36 5.16 0.00 3.02 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 T 8.35 4.74 3.45 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 1.10 0.00 0.00 567 P 0.00 5.31 0.00 2.12 2.05 0.00 3.34 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 568 D 8.58 4.66 0.00 2.87 2.62 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 0.00 0.00 0.00 0.00 569 Q 9.91 3.35 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 570 N 9.17 4.34 0.00 2.71 2.90 0.00 0.00 7.00 8.16 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 0.00 571 H 8.81 4.21 0.00 3.22 3.56 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 I 7.56 4.30 1.89 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 0.67 0.93 0.00 0.00 573 E 8.78 4.57 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 574 Q 9.16 4.83 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.21 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 575 P 0.00 4.79 0.00 1.87 1.92 0.00 3.34 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 576 F 7.46 5.34 0.00 3.15 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 0.00 577 Y 9.31 4.58 0.00 2.81 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 0.00 578 L 7.98 4.60 0.00 1.46 1.55 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 579 M 8.73 4.16 0.00 2.46 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 580 G 7.68 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 0.00 581 R 8.70 4.01 0.00 1.83 1.99 0.00 3.29 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 582 D 8.13 4.16 0.00 2.69 2.67 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 0.00 583 K 7.85 3.59 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 584 A 7.47 3.96 1.31 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 0.00 585 L 7.80 3.93 0.00 1.86 1.82 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 586 A 8.03 4.01 0.75 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 0.00 0.00 587 V 7.74 3.48 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 0.98 0.00 0.00 0.84 0.00 0.00 588 E 8.30 3.92 0.00 2.26 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 2.33 2.40 0.00 589 Q 8.27 3.98 0.00 2.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 590 F 8.58 4.10 0.00 3.15 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 0.00 591 I 7.89 3.54 2.01 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 1.44 1.04 0.90 0.00 0.00 592 S 7.91 4.01 0.00 3.91 4.02 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 0.00 593 R 8.07 3.86 0.00 1.82 2.12 0.00 3.20 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 594 F 7.77 3.71 0.00 2.14 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 N 7.74 4.91 0.00 2.77 2.80 0.00 0.00 7.00 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 S 7.28 4.09 0.00 2.80 2.63 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 0.00 597 G 7.15 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 598 Y 7.91 4.78 0.00 3.10 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 0.00 599 I 7.71 5.20 2.03 0.00 0.00 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 1.36 0.84 1.27 0.00 0.00 600 K 9.54 5.03 0.00 1.89 1.60 0.00 1.43 0.00 0.00 1.15 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.49 7.81 601 A 8.16 4.99 0.99 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 0.00 0.00 602 S 8.31 5.14 0.00 3.90 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 0.00 603 Q 9.46 4.04 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.18 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 604 E 7.84 4.67 0.00 2.13 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 2.30 2.30 0.00 605 L 7.51 4.24 0.00 1.90 1.64 1.01 0.89 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 0.00 606 V 8.76 4.32 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 0.85 0.00 0.00 0.94 0.00 0.00 607 S 8.36 5.25 0.00 3.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 Y 9.54 4.84 0.00 3.01 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 0.00 609 T 8.35 4.54 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 610 I 7.40 4.32 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.36 0.77 0.00 0.00 611 K 8.12 4.34 0.00 1.86 1.77 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.69 7.81 612 L 7.65 3.58 0.00 1.82 1.78 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 613 S 7.89 4.12 0.00 3.76 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 0.00 614 H 7.78 4.84 0.00 3.04 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 D 8.59 4.66 0.00 2.82 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 0.00 616 P 0.00 4.36 0.00 2.38 2.36 0.00 3.78 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 2.11 2.08 0.00 617 I 7.68 3.89 2.04 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 1.20 0.49 0.97 0.00 0.00 618 E 8.42 4.19 0.00 2.17 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 2.45 2.50 0.00 619 Y 8.39 4.15 0.00 3.27 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 0.00 620 L 8.30 4.08 0.00 2.13 2.03 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 621 L 8.55 4.12 0.00 2.17 1.74 1.07 1.16 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 0.00 622 E 7.92 4.13 0.00 2.01 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 0.00 2.15 2.27 0.00 623 Q 7.30 3.97 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 624 I 7.43 3.69 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.23 0.45 0.00 0.00 625 Q 7.50 4.11 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.49 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 626 N 7.49 4.78 0.00 2.65 2.79 0.00 0.00 6.77 7.73 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 0.00 627 L 7.26 4.50 0.00 1.59 1.41 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 628 H 8.28 5.03 0.00 3.10 3.10 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 R 8.21 4.53 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 *650 D 7.71 4.60 0.00 2.80 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 0.00 651 D 8.16 4.41 0.00 2.81 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 0.00 652 L 7.85 4.04 0.00 1.69 1.71 1.08 1.40 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 0.00 653 I 7.69 3.54 1.68 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.05 0.81 0.00 0.00 654 I 7.56 3.49 1.97 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 1.40 0.30 0.89 0.00 0.00 655 A 7.58 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 656 V 7.76 3.57 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 1.11 0.00 0.00 1.06 0.00 0.00 657 I 7.83 3.46 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.25 0.77 0.00 0.00 658 M 7.99 3.86 0.00 1.00 0.63 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.36 0.00 659 A 7.82 4.07 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 0.00 660 T 7.73 3.56 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 1.08 0.00 0.00 661 Y 7.83 4.24 0.00 3.02 3.12 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 0.00 662 L 7.86 4.09 0.00 1.87 1.96 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 663 C 7.38 3.10 0.00 2.95 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 0.00 664 D 7.66 4.59 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 4.43 0.00 2.77 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 0.00 666 I 7.72 3.61 1.81 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 1.60 0.73 0.63 0.00 0.00 667 H 8.30 4.71 0.00 3.55 3.62 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 A 8.21 4.27 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 0.00 669 I 7.87 3.77 1.86 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 1.43 0.85 0.91 0.00 0.00 670 R 7.96 3.77 0.00 1.37 0.66 0.00 2.98 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 671 F 7.96 5.25 0.00 2.89 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 0.00 672 R 8.87 4.82 0.00 1.62 1.73 0.00 2.99 0.00 0.00 2.66 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 673 V 8.52 4.19 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 0.84 0.00 0.00 0.95 0.00 0.00 674 S 8.31 4.48 0.00 4.09 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.