NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 A 4.2029 8.2649 123.5618 51.4775 19.4600 176.6801 526 L 4.1166 7.9826 117.6574 54.1631 42.5860 175.2369 527 Y 3.6834 8.4719 112.7718 59.2385 36.2122 171.9288 528 E 4.0522 7.6594 119.7104 59.1497 29.6721 178.4610 529 E 4.7752 8.1584 116.0096 56.1573 29.6268 175.4660 530 E 4.3063 7.9902 121.7502 55.5113 31.2358 176.8175 *538 I 3.8867 7.8616 116.8214 59.6817 35.8721 174.8765 539 E 3.9806 8.7236 127.6429 58.2676 29.7474 176.9994 540 E 4.0822 8.0411 120.6296 56.2578 29.6112 176.0012 541 R 4.1692 8.3336 125.5764 55.4452 31.4849 175.6205 542 G 4.1801 7.9641 103.7043 43.8634 0.0000 172.4171 543 K 5.3137 9.0054 117.2480 54.4813 36.2151 175.6507 544 I 5.0525 9.0345 122.5711 59.2314 41.8005 173.6807 545 L 4.2849 8.5632 131.1534 53.2259 43.5588 175.0710 546 V 5.0639 8.4483 126.4776 61.0433 34.9625 174.1687 547 S 5.3682 9.0731 122.2093 56.7766 65.8854 172.9317 548 L 5.5306 8.7444 121.0987 51.8923 46.5813 174.7066 *550 Y 4.5861 8.1641 119.6281 57.7762 40.2014 173.6785 551 S 4.9975 8.1134 122.8359 56.9018 62.9621 174.8533 552 T 4.0962 9.0297 121.7446 64.8478 69.1837 176.9498 553 Q 4.1474 8.1101 120.2708 58.0269 28.2706 182.0840 554 Q 4.1356 8.0144 116.1654 55.9054 29.2067 176.1302 555 G 3.8933 8.7621 106.8191 46.2609 0.0000 173.0532 556 G 3.7492 6.9880 105.1482 45.0655 0.0000 172.2621 557 L 4.7157 7.8446 122.1541 53.9996 43.2960 175.6043 558 I 4.9130 8.3642 127.0000 59.9243 39.3606 174.4499 559 V 4.7122 9.1019 128.4473 61.2210 33.5687 174.4111 560 G 4.6369 8.9938 116.2093 44.1673 0.0000 172.2866 561 I 4.5418 8.8172 127.5289 60.3961 38.1390 176.5504 562 I 4.0812 8.8080 129.1522 62.7923 37.7803 176.3996 563 R 5.1358 7.4972 115.4630 55.9078 32.8457 172.4183 564 C 5.6501 8.9297 116.6545 58.1008 32.4500 173.4800 565 V 4.6180 8.5594 120.2299 61.8319 34.4747 174.9503 566 H 4.2536 8.9833 126.0975 57.0150 27.7848 174.1852 567 L 4.4032 7.9155 117.0732 54.3743 42.4428 178.1036 568 A 4.0815 8.2231 123.6989 52.5392 18.8421 177.6009 569 A 4.5385 8.2385 123.0619 50.5666 20.4667 176.3715 *571 D 4.3878 8.4021 117.5531 54.0584 41.9483 177.1119 572 A 4.1826 8.6712 124.0140 54.5593 18.4564 178.5659 573 N 4.5781 8.1847 111.5622 53.3703 37.6694 175.9281 574 G 3.7028 8.3441 107.0568 45.8202 0.0000 172.2684 575 Y 4.9241 8.2046 116.6004 56.2921 41.7445 174.1158 576 S 4.9093 8.6925 114.0526 57.8051 68.2012 173.5130 577 D 5.7883 9.6090 120.4108 51.2048 40.5572 173.7593 578 P 5.4176 0.0000 0.0000 62.6531 33.5949 176.1332 579 F 5.5194 9.1814 115.7121 55.6246 42.0704 173.0685 580 V 4.8499 8.8270 119.6588 61.1086 34.3837 174.2452 581 K 5.1331 9.3461 127.0725 54.6711 35.0864 175.0238 582 L 5.3351 9.0004 124.1678 52.7604 45.1473 175.4927 583 W 5.6452 9.1066 132.5161 55.8473 34.3175 173.7672 584 L 4.4224 9.0172 131.1263 53.8885 41.9862 175.8341 585 K 3.8683 8.1652 127.2165 54.4215 33.5912 175.5068 586 P 4.6404 0.0000 0.0000 63.9670 32.8520 176.9496 *587 D 5.0093 7.4590 131.1298 54.3917 38.0543 182.0403 *591 K 4.3973 8.7696 118.6799 55.9526 33.6406 176.0510 592 A 4.5940 8.0318 118.9014 53.6347 19.3771 177.3862 593 K 5.2898 8.0727 113.8842 55.0371 35.4927 175.1493 594 H 5.1029 9.0594 119.3582 54.2716 33.7172 172.2502 595 K 5.0699 8.1081 117.6425 55.6515 35.4146 176.0585 596 T 4.9598 8.9391 113.6624 60.2190 70.1221 173.9869 597 Q 4.2106 9.3180 120.7338 56.3956 29.0838 175.6507 598 I 4.7317 8.0679 119.4713 60.4127 38.2626 175.4897 599 K 4.5874 9.2047 127.0095 55.0014 34.0431 175.7789 600 K 4.5802 8.8386 126.0980 56.2325 33.4691 177.5442 601 K 3.8731 8.7364 124.6234 54.9718 29.1095 173.0674 602 T 4.8940 8.3731 113.3763 61.3191 71.1186 174.1810 603 L 4.5501 8.9611 126.0653 54.3227 43.1413 175.7161 604 N 6.2108 7.9731 115.5563 50.4385 37.9229 173.3526 605 P 4.0923 0.0000 0.0000 62.8838 33.2634 176.8221 606 E 4.2904 8.4188 124.4663 55.2968 29.5953 175.0846 607 F 4.5027 8.9046 125.4644 58.9976 39.9036 177.0170 608 N 4.1944 7.9494 113.3689 54.7952 36.6284 173.9932 609 E 4.7180 8.2993 116.3389 54.4946 33.4529 176.7990 610 E 4.9187 8.2502 121.5678 54.5463 32.8685 175.2856 611 F 4.8697 8.9935 120.6091 55.5791 43.4932 173.5870 612 F 5.3375 8.6474 122.6140 56.6363 42.3752 173.5055 613 Y 4.6742 8.0636 123.1469 55.9265 40.7754 174.6471 614 D 4.7333 8.7526 124.6110 54.5464 41.5227 175.6243 615 I 4.3348 8.0906 121.4276 59.9380 42.2684 173.9252 616 K 4.3813 8.5717 127.9645 56.4354 33.0709 177.4636 617 H 3.2671 8.8026 122.4188 59.3270 29.7392 177.9302 618 S 4.0810 7.9154 115.0990 61.2165 62.8196 175.4803 619 D 4.5278 7.9723 121.7573 55.9992 40.7576 178.1623 620 L 4.1815 7.7310 119.7768 57.2020 41.3072 178.2230 621 A 4.4911 7.6338 118.5117 52.8532 18.4969 177.6740 622 K 4.3908 7.9529 115.9508 55.9743 33.3962 175.7979 623 K 4.8245 7.9459 118.1148 54.5726 36.2982 174.8572 624 S 3.6817 8.2905 114.7673 56.4528 66.3454 172.3778 625 L 4.5372 7.9594 129.1870 53.5113 43.5151 174.5457 626 D 4.8424 8.8680 128.1205 53.5180 42.6700 174.8904 627 I 5.1870 8.7413 127.3397 59.5418 39.9946 174.8218 628 S 5.0728 9.2362 121.4213 56.4427 66.6365 172.9723 629 V 4.7439 8.4291 122.5527 60.9404 33.9109 174.3318 630 W 5.1314 8.8099 126.8976 54.7924 33.4998 173.8903 631 D 5.3671 9.4469 123.3700 52.6607 42.2046 174.9375 632 Y 5.0723 9.3848 129.1837 58.0999 39.3071 174.8573 633 D 4.9562 8.4708 125.8610 52.6181 43.6768 176.3871 634 I 3.8201 9.2031 123.2672 63.0944 37.5437 177.2625 635 G 4.1217 8.2429 107.6602 44.2256 0.0000 171.7842 636 K 4.3462 7.4808 117.0526 55.4057 34.8004 174.7330 637 S 4.3489 8.4933 115.2265 58.6765 63.2807 174.6162 638 N 4.7617 8.7359 120.1405 53.7070 39.3866 174.2770 639 D 4.9334 8.9680 122.4479 53.6687 42.8084 175.1205 640 Y 3.5981 8.6162 124.5234 57.7167 38.9322 174.7774 641 I 3.7307 7.8384 128.7668 61.8204 38.0658 176.2703 642 G 3.3082 6.1155 106.2905 46.4608 0.0000 170.6798 643 G 4.7356 8.2997 106.3253 45.6350 0.0000 171.7081 644 C 5.1036 9.2821 116.0507 57.6786 33.3322 173.4076 645 Q 4.9062 8.5159 120.7539 53.9882 30.0635 175.6230 646 L 4.3803 9.7606 124.5111 52.9957 44.6025 176.8036 647 G 2.2098 7.8538 111.5049 44.4219 0.0000 171.6914 648 I 3.7865 6.6905 112.3796 63.0714 37.5962 176.9146 649 S 4.4434 7.5813 115.3202 58.0904 62.8737 173.7272 650 A 4.3052 7.4177 124.8915 51.2127 19.5656 176.9563 651 K 4.6275 7.7518 116.7044 55.1884 36.9144 177.5725 652 G 3.8219 8.5615 110.2147 47.4184 0.0000 177.0645 653 E 4.0902 8.7143 118.6347 60.9775 29.1523 176.8409 654 R 4.1113 7.9271 117.2062 59.2766 30.1513 178.6166 655 L 3.7524 7.6853 122.7026 58.6617 42.0125 179.7609 656 K 3.9616 7.9932 123.5888 59.9633 31.7145 180.0806 657 H 4.4198 8.4525 119.5024 59.0597 29.7288 177.0294 658 W 4.1748 7.9450 129.0948 60.9395 30.4913 177.5478 659 Y 4.4260 8.3248 116.6680 61.2125 37.0237 178.4707 660 E 4.0766 8.4814 119.2278 59.2954 29.7693 178.5680 661 C 4.2218 8.0025 118.4272 62.5094 31.4221 175.5443 662 L 3.7624 7.5804 119.2108 57.7563 41.3089 179.3240 663 K 4.3784 8.3274 116.5774 57.1447 32.9273 177.2537 664 N 4.9320 7.8073 116.4591 50.3348 39.1635 173.2867 665 K 4.0364 8.1229 120.3430 57.6716 32.9672 176.6290 666 D 4.5305 9.1276 121.0179 55.0339 38.9058 173.6325 667 K 4.5341 7.5152 117.2548 54.2852 34.1671 175.9254 668 K 4.2724 8.5886 124.5547 55.8514 32.4621 175.8237 669 I 4.4035 8.9388 128.8120 59.8059 38.8967 174.2625 670 E 5.1287 8.7438 128.4284 54.4216 31.6234 175.2081 671 R 4.7221 8.7783 124.5768 54.3258 35.1638 174.1754 672 W 5.0629 8.7319 121.5328 56.6367 30.3033 175.5586 673 H 5.1265 9.4510 120.6172 53.8882 32.6809 172.4048 674 Q 4.4895 8.7638 123.0594 55.7236 29.6149 175.4685 675 L 4.4531 8.6869 127.2557 54.9079 42.5117 176.4701 676 Q 4.7404 9.1273 124.1408 54.6752 32.4119 176.4751 *677 N 4.5376 8.5788 116.9612 52.6534 37.8405 176.1823 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 525 A 8.26 4.20 1.20 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 0.00 0.00 0.00 526 L 7.98 4.12 0.00 1.81 1.59 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 527 Y 8.47 3.68 0.00 3.24 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 0.00 528 E 7.66 4.05 0.00 2.05 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 2.34 2.35 0.00 529 E 8.16 4.78 0.00 1.98 2.29 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 2.28 2.33 0.00 530 E 7.99 4.31 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 *538 I 7.86 3.89 1.87 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 1.30 0.63 0.91 0.00 0.00 539 E 8.72 3.98 0.00 1.91 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 2.28 2.29 0.00 540 E 8.04 4.08 0.00 1.95 1.86 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 2.34 2.42 0.00 541 R 8.33 4.17 0.00 1.80 1.93 0.00 3.28 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.46 0.00 542 G 7.96 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 K 9.01 5.31 0.00 1.81 1.98 0.00 1.54 0.00 0.00 1.51 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.32 7.81 544 I 9.03 5.05 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.98 1.06 0.00 0.00 545 L 8.56 4.28 0.00 0.27 0.95 0.02 0.63 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 0.00 546 V 8.45 5.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.98 0.00 0.00 547 S 9.07 5.37 0.00 3.93 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 0.00 548 L 8.74 5.53 0.00 1.57 1.53 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *550 Y 8.16 4.59 0.00 3.12 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 0.00 551 S 8.11 5.00 0.00 3.83 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 0.00 552 T 9.03 4.10 4.32 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 1.43 0.00 0.00 553 Q 8.11 4.15 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 554 Q 8.01 4.14 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 555 G 8.76 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 0.00 556 G 6.99 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 0.00 0.00 0.00 557 L 7.84 4.72 0.00 1.88 1.63 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 558 I 8.36 4.91 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 1.02 0.00 0.00 559 V 9.10 4.71 2.32 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 1.19 0.00 0.00 1.22 0.00 0.00 560 G 8.99 4.64 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 0.00 561 I 8.82 4.54 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.84 0.00 0.00 562 I 8.81 4.08 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.92 0.00 0.00 563 R 7.50 5.14 0.00 2.08 2.14 0.00 3.29 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 564 C 8.93 5.65 0.00 3.04 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 0.00 565 V 8.56 4.62 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 1.16 0.00 0.00 566 H 8.98 4.25 0.00 3.32 3.33 0.00 5.73 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 0.00 567 L 7.92 4.40 0.00 1.66 1.59 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 568 A 8.22 4.08 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 0.00 569 A 8.24 4.54 1.19 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 0.00 0.00 *571 D 8.40 4.39 0.00 3.14 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 0.00 572 A 8.67 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 0.00 573 N 8.18 4.58 0.00 3.04 3.05 0.00 0.00 6.17 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 0.00 574 G 8.34 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 0.00 575 Y 8.20 4.92 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 0.00 576 S 8.69 4.91 0.00 3.80 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 D 9.61 5.79 0.00 2.99 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 0.00 578 P 0.00 5.42 0.00 2.47 2.33 0.00 4.01 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 579 F 9.18 5.52 0.00 3.19 3.30 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 0.00 0.00 0.00 0.00 580 V 8.83 4.85 1.81 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 1.08 0.00 0.00 0.66 0.00 0.00 581 K 9.35 5.13 0.00 2.03 1.79 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.25 7.81 582 L 9.00 5.34 0.00 1.52 1.69 0.86 0.62 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 0.00 583 W 9.11 5.65 0.00 3.33 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 0.00 584 L 9.02 4.42 0.00 0.87 1.06 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 585 K 8.17 3.87 0.00 1.18 1.03 0.00 0.93 0.00 0.00 0.79 0.00 0.00 2.44 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.21 7.81 586 P 0.00 4.64 0.00 2.18 2.05 0.00 3.66 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 1.92 1.90 0.00 *587 D 7.46 5.01 0.00 2.76 1.80 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 *591 K 8.77 4.40 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 592 A 8.03 4.59 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 593 K 8.07 5.29 0.00 1.61 1.69 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.18 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.44 1.50 7.81 594 H 9.06 5.10 0.00 2.43 2.31 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 K 8.11 5.07 0.00 2.04 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.00 7.81 596 T 8.94 4.96 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 1.07 0.00 0.00 597 Q 9.32 4.21 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 598 I 8.07 4.73 1.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.33 1.06 0.00 0.00 599 K 9.20 4.59 0.00 1.64 1.65 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.05 7.81 600 K 8.84 4.58 0.00 1.90 1.74 0.00 2.01 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.00 7.81 601 K 8.74 3.87 0.00 1.88 1.67 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.22 7.81 602 T 8.37 4.89 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 1.21 0.00 0.00 603 L 8.96 4.55 0.00 1.67 1.78 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 604 N 7.97 6.21 0.00 2.61 2.78 0.00 0.00 6.98 7.30 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 0.00 605 P 0.00 4.09 0.00 0.86 1.92 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 606 E 8.42 4.29 0.00 1.91 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 0.00 2.20 2.37 0.00 607 F 8.90 4.50 0.00 3.33 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 0.00 608 N 7.95 4.19 0.00 2.82 2.84 0.00 0.00 6.93 7.50 0.00 0.00 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 E 8.30 4.72 0.00 1.90 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 2.17 2.55 0.00 610 E 8.25 4.92 0.00 1.64 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 0.00 2.13 2.20 0.00 611 F 8.99 4.87 0.00 2.76 2.28 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 0.00 612 F 8.65 5.34 0.00 2.89 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 0.00 613 Y 8.06 4.67 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 614 D 8.75 4.73 0.00 2.65 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 0.00 615 I 8.09 4.33 1.91 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 1.27 1.13 1.02 0.00 0.00 616 K 8.57 4.38 0.00 2.04 1.72 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.48 7.81 617 H 8.80 3.27 0.00 2.02 2.95 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 S 7.92 4.08 0.00 4.04 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 0.00 619 D 7.97 4.53 0.00 2.90 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 0.00 620 L 7.73 4.18 0.00 1.65 1.51 0.66 1.10 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 0.00 621 A 7.63 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 K 7.95 4.39 0.00 1.94 1.82 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 623 K 7.95 4.82 0.00 1.82 1.66 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.49 7.81 624 S 8.29 3.68 0.00 3.44 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 0.00 625 L 7.96 4.54 0.00 1.60 1.47 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 626 D 8.87 4.84 0.00 2.59 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 0.00 627 I 8.74 5.19 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.93 0.00 0.00 628 S 9.24 5.07 0.00 4.00 4.14 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 0.00 629 V 8.43 4.74 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.89 0.00 0.00 630 W 8.81 5.13 0.00 1.78 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 0.00 631 D 9.45 5.37 0.00 2.84 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 0.00 632 Y 9.38 5.07 0.00 3.29 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 0.00 633 D 8.47 4.96 0.00 2.58 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 0.00 634 I 9.20 3.82 1.87 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 1.48 0.54 0.95 0.00 0.00 635 G 8.24 4.12 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 0.00 636 K 7.48 4.35 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.52 7.81 637 S 8.49 4.35 0.00 3.83 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 0.00 638 N 8.74 4.76 0.00 2.79 3.23 0.00 0.00 6.96 8.06 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 0.00 639 D 8.97 4.93 0.00 2.86 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 0.00 640 Y 8.62 3.60 0.00 2.36 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 0.00 641 I 7.84 3.73 1.68 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 1.06 0.53 0.78 0.00 0.00 642 G 6.12 3.31 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 0.00 643 G 8.30 4.74 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 0.00 644 C 9.28 5.10 0.00 2.92 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 0.00 645 Q 8.52 4.91 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 646 L 9.76 4.38 0.00 1.41 1.61 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 647 G 7.85 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 I 6.69 3.79 1.91 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 1.32 0.52 1.20 0.00 0.00 649 S 7.58 4.44 0.00 3.70 3.79 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 0.00 650 A 7.42 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 651 K 7.75 4.63 0.00 1.74 1.64 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 652 G 8.56 3.82 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 0.00 0.00 0.00 653 E 8.71 4.09 0.00 1.99 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 2.31 1.97 0.00 654 R 7.93 4.11 0.00 1.91 2.05 0.00 3.15 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 655 L 7.69 3.75 0.00 1.53 1.64 0.58 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 656 K 7.99 3.96 0.00 1.82 1.81 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.32 7.81 657 H 8.45 4.42 0.00 3.46 3.58 0.00 5.58 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 0.00 658 W 7.95 4.17 0.00 3.34 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 0.00 659 Y 8.32 4.43 0.00 3.21 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 0.00 660 E 8.48 4.08 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 661 C 8.00 4.22 0.00 2.94 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 0.00 662 L 7.58 3.76 0.00 1.75 1.59 1.03 0.41 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 0.00 663 K 8.33 4.38 0.00 1.71 1.86 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.75 7.81 664 N 7.81 4.93 0.00 2.89 2.70 0.00 0.00 6.84 8.73 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 0.00 665 K 8.12 4.04 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.27 7.81 666 D 9.13 4.53 0.00 2.82 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 0.00 667 K 7.52 4.53 0.00 1.91 1.71 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.35 7.81 668 K 8.59 4.27 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.47 7.81 669 I 8.94 4.40 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.95 0.00 0.00 670 E 8.74 5.13 0.00 1.92 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 2.00 2.20 0.00 671 R 8.78 4.72 0.00 1.49 1.57 0.00 3.29 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.00 672 W 8.73 5.06 0.00 3.16 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 0.00 673 H 9.45 5.13 0.00 3.10 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 Q 8.76 4.49 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 675 L 8.69 4.45 0.00 1.61 1.48 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 676 Q 9.13 4.74 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 *677 N 8.58 4.54 0.00 2.74 2.57 0.00 0.00 6.56 7.56 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 * Residues marked with a * may have inaccurate shift predictions.