NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 463 E 4.3461 8.4449 120.2286 55.2660 30.8601 178.7390 464 L 3.8413 8.9272 126.6544 53.6207 41.9413 174.3925 465 P 4.4170 0.0000 0.0000 61.6134 32.9898 175.2435 466 P 4.0903 0.0000 0.0000 65.6889 31.1260 177.2493 467 L 3.8022 8.4801 116.5346 53.6035 42.1532 178.5694 468 G 3.5445 7.2171 108.1103 45.0778 0.0000 172.5805 469 F 5.1635 8.0143 116.5535 55.0765 42.4526 175.1612 470 A 4.6128 9.7546 125.4127 52.6598 18.0918 177.3535 471 I 4.4806 8.7137 114.8705 61.3083 40.2738 174.9567 472 A 4.4507 7.5567 122.3770 51.5603 22.4905 174.2970 473 Q 5.0694 8.7240 119.9485 54.3890 31.5663 174.4309 474 L 4.6710 9.0609 127.2048 53.7589 45.3114 176.2731 475 L 3.8114 9.7883 125.3242 55.7242 39.3173 176.3537 476 G 4.0673 8.4733 106.2267 45.9346 0.0000 174.9655 477 I 4.2447 7.8230 119.1417 61.3568 40.0346 175.1869 478 Y 5.0614 7.7318 118.2588 56.1477 42.2628 174.3895 479 I 4.7430 8.4638 123.0860 60.1093 39.6418 174.5593 480 L 5.1659 9.1369 126.6205 53.2244 43.6821 175.5259 481 A 5.1315 9.0318 124.5994 50.1042 23.3992 174.3916 482 Q 4.8334 9.3208 121.0744 54.7101 30.9937 174.8448 483 A 5.0052 8.1452 131.5745 50.0433 21.7497 174.4600 484 E 4.1942 8.6036 114.8107 57.8283 30.1127 176.0149 485 D 4.4915 9.0435 121.2328 54.6852 39.1946 172.6406 486 S 5.1154 7.6280 111.0218 57.1308 67.0510 172.2860 487 L 5.0684 9.2506 123.1752 53.4949 44.2052 175.0012 488 L 5.3524 8.7621 125.2602 52.9713 45.1519 175.2261 489 L 5.1823 8.8315 122.0007 53.1081 44.8374 175.4084 490 I 5.0163 8.8558 124.9930 59.7375 40.2904 175.0783 491 D 4.5988 9.4921 126.7322 52.9883 40.2927 176.4524 492 M 3.8627 8.2685 125.3713 59.0768 32.2886 177.3817 493 H 4.1151 7.9093 114.8580 58.9434 29.0413 177.5373 494 A 3.9818 7.9104 121.3323 55.0319 18.1998 179.5527 495 A 3.9745 8.6683 119.3639 55.2945 18.5299 179.6646 496 A 3.9927 8.2746 119.5630 55.3017 18.4321 179.7021 497 E 4.0549 8.3544 117.0045 59.5781 29.6271 179.2648 498 R 3.8760 8.0079 118.5842 59.6195 30.0412 178.3042 499 V 3.6425 8.2918 118.0551 66.3140 31.4495 177.6976 500 N 4.3384 8.6887 116.2293 56.6685 38.4071 176.2198 501 Y 4.1145 8.5414 121.0723 61.2384 38.9120 178.0810 502 E 3.9800 8.6197 118.7912 59.4510 29.7170 179.5574 503 K 3.9182 8.2911 118.4539 59.9009 32.1418 179.2298 504 M 3.9753 8.1294 118.5791 58.3795 31.9936 178.5165 505 K 3.7117 8.1554 120.0856 59.7299 32.0998 178.6995 506 R 3.8443 7.8394 118.3826 59.3838 29.9831 178.2876 507 Q 3.9585 8.0047 119.4475 59.1871 29.0182 178.3419 508 R 3.8111 8.3711 119.5695 59.3131 29.8512 179.1150 509 Q 3.9612 7.8340 116.7127 58.8642 28.9143 177.8906 510 E 4.0618 8.2966 118.7554 59.2292 29.8215 178.5233 511 N 4.7290 8.9319 114.5901 52.5828 39.1564 177.0118 512 G 4.0693 9.2159 109.6814 45.4768 0.0000 173.3201 513 N 5.0100 7.3917 114.5805 51.3826 40.5134 174.3767 514 L 4.4601 8.4626 121.2542 54.1475 43.0532 176.6153 515 Q 4.1964 8.7570 125.4344 56.1475 29.7158 175.7522 516 S 5.0517 8.6027 121.6677 57.8101 65.2455 173.1599 517 Q 4.6112 8.9585 121.0628 54.6180 32.3364 173.7145 518 H 4.9068 8.9829 123.3887 55.6005 29.6175 175.1977 519 L 4.3540 8.8041 123.4818 54.1019 42.5070 177.4181 520 L 4.0761 8.6819 122.8295 57.1491 41.8084 177.4601 521 I 4.4063 7.4369 119.1654 58.4706 38.6750 173.5281 522 P 4.5348 0.0000 0.0000 63.1555 32.3051 175.9185 523 V 4.4170 8.5530 122.9689 61.7054 33.0342 174.9861 524 T 5.2185 8.5515 118.2650 60.7036 71.0291 173.6436 525 F 5.0777 8.6965 116.6698 55.5783 41.8106 172.9442 526 A 4.5907 8.7643 122.0586 51.7658 18.9741 176.6730 527 A 5.1570 9.2204 124.6606 49.8497 22.7066 176.0010 528 S 4.5017 10.2848 114.8647 57.4798 64.6126 174.9500 529 H 4.0741 8.8845 120.1460 59.7932 29.3175 177.0972 530 E 3.9393 8.1708 119.6596 59.3339 29.2191 179.0510 531 E 4.0149 8.3175 118.8342 59.4010 29.5252 179.0621 532 C 4.0602 7.9869 116.3096 62.8570 28.2191 176.0963 533 A 3.9349 8.1471 122.2786 54.8433 17.6632 179.5101 534 A 3.9493 7.9434 118.6842 55.1865 18.6568 179.1342 535 L 4.0486 8.1907 118.8637 58.5039 41.9432 179.0463 536 A 3.9919 7.8514 119.0350 55.3681 18.3341 178.9671 537 D 4.4853 7.8398 116.2575 56.5156 41.1865 176.9268 538 H 5.8290 8.2209 114.9773 53.5102 30.7933 175.1811 539 A 4.0475 8.5385 124.2991 55.3955 17.9893 180.0978 540 E 3.8791 8.0806 115.2593 60.0779 29.7459 179.0033 541 T 3.8887 8.0230 115.6093 66.2006 68.7193 175.9293 542 L 4.2927 8.7028 120.5932 57.9235 41.7351 179.2543 543 A 4.2071 8.2817 120.8177 55.3682 18.1195 179.9002 544 G 3.4821 8.1779 103.8664 46.8875 0.0000 174.8518 545 F 4.7681 8.0214 118.6962 56.9174 39.0920 175.9188 546 G 3.9919 8.0974 107.3558 46.4825 0.0000 173.8128 547 L 5.0980 8.0148 118.0826 52.5348 44.7469 175.9080 548 E 4.7845 9.1540 122.2660 54.5993 32.9998 174.9376 549 L 5.3869 8.6613 122.7636 53.1987 46.1622 175.8250 550 S 4.6893 8.9820 116.6376 56.8826 65.8262 174.8204 551 D 4.0652 8.8989 124.1160 57.7545 41.2582 177.3776 552 M 3.3490 8.3164 117.3751 54.1448 31.2491 178.4005 553 G 3.9626 8.3511 102.5276 45.9431 0.0000 172.9697 554 G 3.9684 9.1225 104.2884 46.3179 0.0000 173.3401 555 N 4.1620 8.0658 112.5991 54.1420 36.1511 173.3381 556 T 4.7786 7.5545 114.0842 62.0252 70.0410 174.4518 557 L 4.9439 8.0179 125.5708 52.7693 45.2406 175.1193 558 A 5.1788 8.8288 122.9881 50.2049 22.3010 175.4326 559 V 4.5331 9.0959 122.4954 62.1510 32.5974 176.5244 560 R 4.5280 9.3846 126.8687 57.3030 32.2586 176.1147 561 A 4.9823 7.5529 117.8958 50.8853 22.4895 175.1198 562 A 5.0715 8.7064 121.7618 49.2572 23.5895 173.8203 563 P 4.5845 0.0000 0.0000 62.6965 32.0355 177.4917 564 V 3.5382 8.6317 125.6789 66.6317 31.3261 177.3985 565 M 4.2124 8.0870 115.4849 56.7485 31.8491 175.9231 566 L 4.7606 7.7729 118.8124 53.0823 44.5842 176.4405 567 G 4.1209 8.2758 107.8455 45.2262 0.0000 175.4405 568 K 3.6634 8.3401 127.3507 56.3720 31.9319 174.8965 569 S 4.6167 10.2283 107.3777 58.3811 62.0182 168.4722 570 D 4.2967 8.5172 121.9446 53.8418 38.3867 173.9439 571 V 3.6546 7.7753 117.7027 63.4903 31.7128 177.9469 572 V 3.0312 7.6527 117.9400 65.7118 31.4302 177.6600 573 S 3.9485 7.6972 112.9803 61.2195 62.2106 175.9084 574 L 3.3776 7.6602 122.5366 57.9600 41.8957 178.5572 575 A 3.9355 8.1217 121.0531 55.3746 18.2353 179.8238 576 R 3.8385 8.1136 116.6928 59.4049 30.1322 179.0979 577 D 4.2821 8.3668 119.0033 57.3483 40.6469 179.0025 578 V 3.4553 7.9277 117.5197 65.8960 31.8357 177.4589 579 L 4.2310 8.4169 119.2434 58.0003 41.0507 179.6968 580 G 3.7040 8.2020 105.4317 47.9989 0.0000 175.1572 581 E 4.0355 7.9743 119.9751 58.1191 29.5127 177.9967 582 L 4.1924 7.8715 118.1797 56.3313 41.8456 178.4503 583 A 3.8956 7.5711 119.5065 54.3407 18.1765 177.9647 584 Q 4.5527 7.2177 114.8392 55.3739 29.0292 175.5433 585 V 4.4611 7.2747 117.1735 60.1208 34.3241 176.3704 586 G 4.0396 8.3366 108.0589 45.0335 0.0000 172.9378 *592 A 4.4143 7.5175 122.8187 52.2294 20.9860 178.7294 593 S 4.5364 8.1863 107.5337 59.8681 63.3523 174.8720 594 H 4.6642 8.3067 118.0588 57.5291 28.8316 176.5448 595 E 3.8095 7.9875 116.8435 59.9225 29.2028 178.8599 596 N 4.4615 8.2054 116.1724 56.5376 39.1121 177.3961 597 R 3.9049 8.0190 119.5811 59.5561 30.2410 178.5526 598 I 3.5536 7.9281 119.7340 64.3917 37.2260 178.5417 599 L 4.0718 8.3179 119.6463 57.2351 41.0686 179.5472 600 A 4.1335 8.0532 120.7455 55.6033 18.4048 179.1959 601 T 3.9710 7.7199 113.5758 67.3638 68.5936 176.7708 602 M 4.1653 8.1293 120.5292 58.1400 31.7312 178.8167 603 S 4.3621 7.7788 113.0655 60.9335 63.2631 175.3731 604 C 4.4942 7.5585 118.1996 60.3548 28.0478 173.1659 605 H 4.9835 8.1101 118.3858 55.4116 29.7664 174.4970 606 G 4.1024 7.9907 112.4597 45.2968 0.0000 174.5859 607 S 4.2251 8.6674 113.5927 59.7575 63.6869 174.3777 608 I 4.1496 7.3312 122.1392 59.9406 36.1373 174.8171 609 R 4.0946 8.5496 117.9367 55.7747 31.0134 172.4904 610 A 3.3319 9.6063 131.0115 52.4642 16.9698 176.4883 611 G 3.9210 8.8199 107.9604 46.7729 0.0000 172.4017 612 R 4.2077 7.8502 118.6083 55.2635 30.6509 176.2903 613 R 4.4595 8.4925 122.4275 55.2389 31.1432 175.9787 614 L 4.7701 8.3736 123.2261 53.4552 43.7788 177.0947 615 T 4.3698 8.9446 112.6913 61.0422 71.3662 176.0958 616 L 4.0688 8.3014 121.0244 57.3653 41.5663 178.0405 617 P 4.3369 0.0000 0.0000 65.4160 31.4304 178.4530 618 E 3.9834 8.1528 117.2350 59.5584 29.2263 179.2422 619 M 4.0741 8.1752 118.7182 58.5484 31.9735 178.5782 620 N 4.3428 8.3061 116.3460 56.2683 38.7398 177.2321 621 A 3.9964 8.2450 122.2894 55.1857 18.3529 179.4510 622 L 3.9556 7.9228 118.5088 58.1264 42.1132 179.3274 623 L 3.9023 7.5894 119.2294 57.8047 41.3665 179.5481 624 R 4.0579 8.0353 117.1785 59.3658 30.1859 178.5278 625 D 4.5092 8.0925 118.6389 57.5888 40.7825 178.7166 626 M 4.0727 8.1532 119.2946 58.5673 31.8125 178.7067 627 E 4.0243 8.1340 117.0221 58.3318 29.5637 177.8570 628 N 4.8869 7.8903 115.1981 52.3024 39.4980 173.7702 629 T 4.6325 7.4122 115.5338 61.1759 71.1736 172.4592 630 P 4.4431 0.0000 0.0000 63.2130 31.8249 176.3333 631 R 3.9792 8.8513 117.0464 57.1447 27.7629 178.6388 632 S 4.3428 7.6875 112.9528 60.8639 63.0907 175.3118 633 N 4.5556 8.2782 118.7830 54.1951 37.7445 174.6435 634 Q 5.0947 7.5194 115.0782 54.1477 31.5440 175.6948 635 C 4.5691 8.4921 116.6710 57.7641 32.0742 172.7146 636 N 4.3123 8.7014 114.6613 57.3237 38.3111 176.6239 637 H 3.9778 8.1403 116.2610 57.6504 29.9749 174.8119 638 G 3.7370 7.7091 105.8950 46.7627 0.0000 173.1393 639 R 4.5227 7.6424 118.3901 53.1153 32.0750 173.5044 640 P 4.7131 0.0000 0.0000 63.3224 32.0869 176.4862 641 T 4.4920 8.4623 117.9153 64.9643 69.7040 174.4453 642 W 5.7388 7.2539 116.2338 55.3758 31.5931 174.2437 643 V 4.5568 9.1924 119.6773 61.2096 34.7665 173.5364 644 K 5.1908 8.9712 127.8885 54.6218 34.8684 174.8213 645 L 5.0733 9.2883 127.2572 53.1443 44.4928 176.6301 646 T 4.6429 9.3305 114.9891 60.6084 70.3541 175.6194 647 L 3.9917 9.1983 123.8914 58.3457 41.6143 180.3503 648 K 3.9815 8.0044 117.3424 59.5681 31.8670 179.1549 649 E 3.9997 7.8968 117.3319 59.2976 29.6816 178.9826 650 L 4.2106 8.7242 120.0246 58.1017 41.7921 179.2486 651 D 4.5026 8.4314 117.6885 57.4628 40.8829 178.3037 652 T 4.0333 7.7187 115.6180 66.1212 68.4773 175.8844 653 L 4.1943 7.8427 119.2774 56.0686 41.8464 176.9291 654 F 4.1853 8.0336 122.6797 57.5476 38.9814 175.4126 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 463 E 8.44 4.35 0.00 1.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 464 L 8.93 3.84 0.00 1.70 1.60 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 465 P 0.00 4.42 0.00 2.30 2.04 0.00 3.16 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 466 P 0.00 4.09 0.00 2.00 2.13 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 467 L 8.48 3.80 0.00 1.43 1.42 0.70 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 468 G 7.22 3.54 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 0.00 0.00 0.00 469 F 8.01 5.16 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 0.00 470 A 9.75 4.61 1.29 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 0.00 0.00 471 I 8.71 4.48 1.90 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 0.80 1.01 0.00 0.00 472 A 7.56 4.45 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 0.00 473 Q 8.72 5.07 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 474 L 9.06 4.67 0.00 1.79 1.62 0.96 0.79 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 0.00 475 L 9.79 3.81 0.00 1.95 1.78 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 476 G 8.47 4.07 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 0.00 0.00 0.00 477 I 7.82 4.24 1.56 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 1.27 0.86 -0.33 0.00 0.00 478 Y 7.73 5.06 0.00 2.96 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 0.00 479 I 8.46 4.74 1.92 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 1.25 0.80 0.93 0.00 0.00 480 L 9.14 5.17 0.00 1.69 1.59 0.94 0.59 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 0.00 481 A 9.03 5.13 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 0.00 482 Q 9.32 4.83 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 483 A 8.15 5.01 1.17 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 0.00 0.00 484 E 8.60 4.19 0.00 2.09 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 2.26 2.33 0.00 485 D 9.04 4.49 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 0.00 486 S 7.63 5.12 0.00 3.97 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 0.00 487 L 9.25 5.07 0.00 1.75 1.56 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 488 L 8.76 5.35 0.00 1.59 1.51 0.82 0.01 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 0.00 489 L 8.83 5.18 0.00 1.57 1.39 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 490 I 8.86 5.02 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.27 1.06 0.00 0.00 491 D 9.49 4.60 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 492 M 8.27 3.86 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 493 H 7.91 4.12 0.00 3.24 3.32 0.00 5.87 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 0.00 494 A 7.91 3.98 1.42 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 0.00 0.00 495 A 8.67 3.97 1.43 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 0.00 0.00 496 A 8.27 3.99 1.40 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 0.00 0.00 0.00 497 E 8.35 4.05 0.00 2.03 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 2.34 2.63 0.00 498 R 8.01 3.88 0.00 1.94 2.23 0.00 3.28 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 499 V 8.29 3.64 2.30 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 500 N 8.69 4.34 0.00 3.07 2.91 0.00 0.00 6.70 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 Y 8.54 4.11 0.00 3.13 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 0.00 502 E 8.62 3.98 0.00 2.10 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 2.70 2.82 0.00 503 K 8.29 3.92 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.52 7.81 504 M 8.13 3.98 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 505 K 8.16 3.71 0.00 1.30 1.55 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.37 7.81 506 R 7.84 3.84 0.00 2.11 2.02 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 507 Q 8.00 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 508 R 8.37 3.81 0.00 2.02 1.90 0.00 3.37 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 509 Q 7.83 3.96 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 510 E 8.30 4.06 0.00 2.12 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 2.34 2.35 0.00 511 N 8.93 4.73 0.00 2.89 2.80 0.00 0.00 7.13 8.41 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 0.00 512 G 9.22 4.07 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 0.00 0.00 0.00 513 N 7.39 5.01 0.00 2.53 2.65 0.00 0.00 6.99 7.99 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 0.00 514 L 8.46 4.46 0.00 1.55 1.66 1.13 0.95 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 0.00 515 Q 8.76 4.20 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 516 S 8.60 5.05 0.00 4.06 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 0.00 517 Q 8.96 4.61 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 518 H 8.98 4.91 0.00 3.09 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 L 8.80 4.35 0.00 1.58 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 520 L 8.68 4.08 0.00 1.65 1.74 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 521 I 7.44 4.41 1.89 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 1.43 0.61 0.93 0.00 0.00 522 P 0.00 4.53 0.00 1.95 2.10 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 523 V 8.55 4.42 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 1.04 0.00 0.00 0.96 0.00 0.00 524 T 8.55 5.22 4.23 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 1.21 0.00 0.00 525 F 8.70 5.08 0.00 3.11 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 0.00 526 A 8.76 4.59 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 A 9.22 5.16 1.11 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 0.00 0.00 528 S 10.28 4.50 0.00 3.87 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 0.00 529 H 8.88 4.07 0.00 3.22 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 E 8.17 3.94 0.00 2.04 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 2.44 2.37 0.00 531 E 8.32 4.01 0.00 2.23 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 2.40 2.39 0.00 532 C 7.99 4.06 0.00 3.09 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 0.00 533 A 8.15 3.93 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 0.00 534 A 7.94 3.95 1.42 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 0.00 0.00 535 L 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3.04 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.42 0.00 577 D 8.37 4.28 0.00 2.78 2.69 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 0.00 0.00 0.00 0.00 578 V 7.93 3.46 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 0.69 0.00 0.00 0.84 0.00 0.00 579 L 8.42 4.23 0.00 1.76 1.75 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 580 G 8.20 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 0.00 581 E 7.97 4.04 0.00 2.15 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 2.23 2.34 0.00 582 L 7.87 4.19 0.00 1.90 1.56 0.94 0.50 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 0.00 583 A 7.57 3.90 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 0.00 584 Q 7.22 4.55 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 585 V 7.27 4.46 1.71 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 0.63 0.00 0.00 0.83 0.00 0.00 586 G 8.34 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 *592 A 7.52 4.41 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 S 8.19 4.54 0.00 3.99 4.01 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 0.00 594 H 8.31 4.66 0.00 3.25 3.38 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 E 7.99 3.81 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 596 N 8.21 4.46 0.00 2.91 3.10 0.00 0.00 6.51 7.66 0.00 0.00 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 R 8.02 3.90 0.00 1.89 2.07 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 598 I 7.93 3.55 1.57 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 -0.04 0.00 0.00 599 L 8.32 4.07 0.00 1.68 1.65 0.77 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 600 A 8.05 4.13 1.43 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 0.00 0.00 601 T 7.72 3.97 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 1.25 0.00 0.00 602 M 8.13 4.17 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 603 S 7.78 4.36 0.00 4.37 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 0.00 604 C 7.56 4.49 0.00 2.98 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 0.00 605 H 8.11 4.98 0.00 3.29 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 G 7.99 4.10 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 0.00 0.00 0.00 607 S 8.67 4.23 0.00 4.00 4.01 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 0.00 608 I 7.33 4.15 1.87 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 1.46 0.48 0.87 0.00 0.00 609 R 8.55 4.09 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 610 A 9.61 3.33 1.27 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 0.00 0.00 0.00 611 G 8.82 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 0.00 0.00 0.00 612 R 7.85 4.21 0.00 1.84 1.89 0.00 3.32 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 2.02 1.75 0.00 613 R 8.49 4.46 0.00 1.80 1.87 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 614 L 8.37 4.77 0.00 1.65 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 615 T 8.94 4.37 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 0.00 616 L 8.30 4.07 0.00 1.72 1.78 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 617 P 0.00 4.34 0.00 2.17 2.11 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 618 E 8.15 3.98 0.00 2.22 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 2.34 2.36 0.00 619 M 8.18 4.07 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 620 N 8.31 4.34 0.00 2.95 2.96 0.00 0.00 6.94 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 0.00 621 A 8.25 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 L 7.92 3.96 0.00 1.77 1.83 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 623 L 7.59 3.90 0.00 1.71 1.54 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 624 R 8.04 4.06 0.00 1.75 1.98 0.00 3.33 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 625 D 8.09 4.51 0.00 2.99 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 0.00 626 M 8.15 4.07 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.64 0.00 627 E 8.13 4.02 0.00 2.05 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 2.23 2.25 0.00 628 N 7.89 4.89 0.00 2.75 2.93 0.00 0.00 6.96 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 0.00 629 T 7.41 4.63 4.47 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 1.27 0.00 0.00 630 P 0.00 4.44 0.00 2.21 1.99 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 631 R 8.85 3.98 0.00 2.06 2.01 0.00 3.18 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 632 S 7.69 4.34 0.00 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 633 N 8.28 4.56 0.00 2.84 3.20 0.00 0.00 5.79 7.44 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 0.00 634 Q 7.52 5.09 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 635 C 8.49 4.57 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 N 8.70 4.31 0.00 2.72 2.80 0.00 0.00 6.48 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 0.00 637 H 8.14 3.98 0.00 3.09 3.29 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 G 7.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 R 7.64 4.52 0.00 1.79 1.73 0.00 2.98 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 640 P 0.00 4.71 0.00 1.99 1.65 0.00 3.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 641 T 8.46 4.49 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 1.49 0.00 0.00 642 W 7.25 5.74 0.00 3.48 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 0.00 643 V 9.19 4.56 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 0.93 0.00 0.00 0.88 0.00 0.00 644 K 8.97 5.19 0.00 2.10 1.96 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 645 L 9.29 5.07 0.00 1.58 1.55 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 646 T 9.33 4.64 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 647 L 9.20 3.99 0.00 1.67 1.80 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 648 K 8.00 3.98 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 649 E 7.90 4.00 0.00 2.24 2.04 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 2.36 2.37 0.00 650 L 8.72 4.21 0.00 1.86 1.84 0.96 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 651 D 8.43 4.50 0.00 2.78 2.80 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 0.00 652 T 7.72 4.03 4.47 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 1.23 0.00 0.00 653 L 7.84 4.19 0.00 1.68 1.55 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 654 F 8.03 4.19 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.