NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.3936 8.3044 120.3457 55.1903 33.1970 174.5528 502 K 4.2959 9.0330 129.1721 55.2417 32.9339 173.8597 503 K 4.9819 9.2919 128.4355 55.3834 34.3473 175.8515 504 V 4.9809 9.0764 124.1901 61.1884 34.7594 174.0687 505 I 5.4699 8.4350 124.9239 58.7390 41.8621 173.7027 506 T 4.8591 7.7217 119.4500 60.9706 70.8709 171.6971 507 Y 5.5277 7.8769 122.9832 55.1510 41.7197 175.2385 508 G 3.6950 8.0773 107.1270 47.5493 0.0000 173.1094 509 T 4.2357 8.4038 114.7838 64.0540 70.0803 175.5453 510 F 3.3586 7.3077 117.2653 58.6126 36.0964 175.0609 511 D 4.5420 7.8222 121.3364 56.3807 42.0317 176.8190 512 L 4.6405 7.4893 123.8748 51.6599 41.1291 174.0232 513 L 4.0086 8.3316 121.8616 55.9687 42.5856 176.4289 514 H 5.2052 8.3632 120.5709 52.6610 33.2272 173.9611 515 W 4.5125 8.9893 117.5481 59.4443 27.5925 178.4825 516 G 3.3656 7.4933 106.6562 47.8705 0.0000 175.3586 517 H 4.3753 7.7783 118.1447 58.6806 28.7345 177.7253 518 I 3.8464 7.8142 121.4163 64.5723 37.0268 178.6966 519 K 3.9684 8.2235 119.1986 59.1274 31.7353 179.3281 520 L 3.9325 7.8315 120.3807 58.2685 42.1513 178.9716 521 L 3.9487 8.0240 118.9329 57.5684 41.5593 179.2445 522 E 2.5400 8.0733 119.4077 59.0233 29.3653 179.2047 523 R 3.8624 7.6047 116.3727 58.9847 30.3512 178.6726 524 A 4.0664 8.2946 121.1336 55.0203 18.4218 179.5850 525 K 3.9014 7.9490 118.4496 59.4160 32.0697 178.3128 526 Q 4.2338 7.6455 114.3808 57.3439 28.6143 176.9956 527 L 4.5989 7.5215 120.2958 56.8960 42.6643 176.4825 528 G 4.0292 8.1765 107.4084 45.3714 0.0000 172.2895 529 D 5.0101 9.0613 118.4437 54.4326 43.5635 176.2825 530 Y 4.8699 7.8675 119.6883 55.8968 42.6635 172.9572 531 L 5.0709 9.1885 129.1156 53.2741 44.7886 174.8045 532 V 4.6667 8.7341 126.8413 61.0708 34.0324 174.2546 533 V 4.4907 8.6193 127.7773 60.9845 34.1239 173.8094 534 A 4.9926 8.4675 131.0061 50.4588 20.5238 175.5733 535 I 5.7081 8.3980 116.3518 58.0177 40.7534 175.4781 536 S 4.9427 9.0167 120.9382 59.7037 63.3463 174.5995 537 T 4.1678 8.7043 115.0009 61.1885 70.0809 175.5198 538 D 4.4347 8.6661 121.0982 57.2537 40.8860 178.8931 539 E 4.0241 8.0751 119.0791 59.1761 29.5651 178.8852 540 F 4.4992 8.2604 120.8237 61.3628 39.3989 176.9209 541 N 4.0886 8.2948 116.2273 56.2224 38.2944 177.0144 542 L 3.9319 7.8788 121.5225 58.3861 41.9528 179.1227 543 Q 4.0950 7.7847 116.6106 58.5008 28.7449 177.9569 544 K 4.3125 7.7274 116.6536 55.4071 32.7734 176.4675 545 Q 3.4329 8.0303 117.5946 57.0342 26.8827 175.0673 546 K 4.4390 7.9752 117.3139 54.0572 32.4232 173.5315 547 K 4.0708 8.1970 122.8108 55.3595 33.1025 176.1657 548 A 4.5909 8.3290 129.1401 51.2880 19.9934 176.5039 549 Y 3.9767 9.1913 123.3640 60.7578 39.1523 176.2283 550 H 4.6946 8.9790 116.3688 54.4716 29.9863 176.0748 551 S 4.3987 8.3699 118.2381 58.1284 64.8813 174.8668 552 Y 4.0389 8.9281 122.9463 61.0825 38.4972 178.1521 553 E 3.7972 8.2668 118.8732 59.7586 29.5687 178.8700 554 H 4.4453 7.9151 116.0767 58.4750 28.8562 178.0669 555 R 3.9118 8.2660 120.5420 58.8396 29.7842 178.9753 556 K 3.6442 7.8614 119.5976 59.2273 31.9689 178.3582 557 L 3.8458 7.3585 119.1732 58.5423 42.3643 178.8566 558 I 3.8312 7.6359 119.3969 64.2984 37.0913 178.4737 559 L 3.9051 7.8537 119.9070 57.6458 41.1960 179.1028 560 E 4.0586 8.1953 117.4438 58.2442 29.4492 178.2118 561 T 4.2643 7.2533 108.0262 61.0422 70.1260 174.9850 562 I 3.8273 7.1088 124.5777 60.8961 37.8057 176.9422 563 R 3.7623 8.4290 124.3920 59.6690 29.9680 177.8161 564 Y 4.2693 7.1468 113.6243 60.0479 38.1801 175.9485 565 V 3.9030 7.3659 120.0213 62.0100 32.2146 174.9911 566 D 4.4227 8.3322 127.2031 55.9515 41.8984 176.5816 567 E 4.6614 7.4553 116.8335 54.7760 33.3622 173.9995 568 V 4.9082 8.2972 124.7601 61.0156 34.2045 174.4419 569 I 4.8737 8.6329 120.8508 58.1730 41.2648 172.6885 570 P 5.0706 0.0000 0.0000 62.5859 32.7184 175.1215 571 E 4.6199 9.2651 124.5953 55.0392 30.4244 176.1385 572 K 4.0911 9.3790 127.5066 57.0047 33.3588 175.9448 573 N 3.3993 6.7616 113.4556 50.9668 39.6920 174.4569 574 W 4.5029 8.5691 118.2665 59.8530 29.0611 178.0377 575 E 4.2642 8.3520 117.2762 58.4769 29.4267 178.4481 576 Q 3.8963 8.3559 117.6313 57.9019 28.5299 178.2459 577 K 3.8588 7.5313 121.3831 59.7649 32.0148 178.7165 578 K 3.9490 8.0935 118.9966 59.6490 32.1442 178.4636 579 Q 4.0113 8.0885 119.3014 58.9754 28.9380 177.6555 580 D 4.4326 8.2194 120.2890 57.4726 40.9076 178.6165 581 I 3.7632 7.7854 120.0997 64.3890 36.9409 178.6705 582 I 3.7443 7.4935 120.6182 64.4909 36.9015 177.9698 583 D 4.2927 8.4235 118.6079 57.5635 40.6904 177.4799 584 H 4.5346 8.4418 112.7382 54.7919 29.5288 174.6047 585 N 4.1497 7.5906 116.1423 54.3094 36.2606 174.8960 586 I 4.0243 7.9309 117.7778 61.5504 38.4438 176.4702 587 D 4.8062 9.1673 124.5003 54.9466 43.2253 176.6601 588 V 4.8363 7.6667 117.5749 60.8824 35.3400 173.8704 589 F 5.2437 9.5786 130.2159 56.4121 41.4004 173.9690 590 V 4.8235 8.2366 126.2310 61.4053 34.2761 174.1814 591 M 4.7573 8.7597 125.6239 53.3258 37.1462 175.0714 592 G 4.2253 8.9868 109.2510 45.4728 0.0000 174.4393 593 D 4.7275 9.1665 120.5107 54.5891 39.3766 177.4754 594 D 4.4778 8.1177 118.7163 54.4563 39.8616 176.5584 595 W 4.5259 8.1852 119.6126 55.9778 29.9476 174.2401 596 E 2.5400 7.3294 119.8440 58.2799 28.5816 176.9023 597 G 4.1526 7.8465 115.6174 45.2171 0.0000 173.7941 598 K 3.9409 7.9500 120.5642 58.7503 32.4090 177.4707 599 F 4.9495 8.0310 115.7518 57.3284 39.1498 177.2188 600 D 4.6075 8.2635 122.6429 56.5035 40.7307 178.1225 601 F 4.4515 8.1203 113.1207 58.5160 38.3151 176.4177 602 L 4.2459 7.1449 121.0872 55.2418 41.3865 178.2306 603 K 4.4070 7.8599 119.8336 57.8767 32.0595 177.7255 604 D 4.6207 7.9463 117.5776 54.3551 39.9769 176.4686 605 Q 4.4784 7.7008 118.5619 56.7172 30.9943 174.4253 606 C 4.6984 7.2598 110.6700 57.4011 33.0532 172.6244 607 E 4.3367 8.8976 119.2074 55.9902 30.4038 176.2216 608 V 4.8108 8.3426 123.7906 61.1568 33.6426 174.7765 609 V 4.3643 8.9180 127.7807 61.2268 34.6916 173.4765 610 Y 5.3238 8.6816 125.1920 56.5605 39.5229 174.8885 611 L 4.8734 8.9576 125.6398 52.2140 44.0728 174.5628 612 P 5.1776 0.0000 0.0000 62.3002 31.8657 176.6613 613 R 4.1479 8.7430 121.8310 56.3290 30.7967 176.1183 614 T 4.2863 8.1024 116.8126 62.7186 69.1227 175.2068 615 E 4.0236 8.6605 126.3747 57.5323 30.1371 177.1442 616 G 4.0133 9.8366 109.2389 45.7543 0.0000 173.1356 617 I 4.2628 6.9956 117.5846 58.5226 40.7883 174.2147 618 S 4.3327 7.7322 120.0417 56.7355 66.5584 176.3743 619 T 3.9116 8.2417 119.5698 66.8842 68.2186 177.1510 620 T 3.9139 7.7963 111.4769 64.5687 68.9619 176.4494 621 K 3.9421 7.6666 121.1067 59.1739 31.9366 178.7866 622 I 3.6666 7.2496 119.0149 64.4891 37.2657 178.2704 623 K 4.0991 7.9393 119.0280 59.5133 31.6012 179.3635 624 E 4.0475 8.4810 118.5068 59.0305 29.4362 178.1724 625 E 4.4502 8.3056 116.4254 56.4153 29.6027 176.7701 626 I 4.1801 7.3066 126.4002 61.5467 38.2007 175.0868 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 501 M 8.30 4.39 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 502 K 9.03 4.30 0.00 1.89 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.50 7.81 503 K 9.29 4.98 0.00 1.92 1.75 0.00 1.42 0.00 0.00 1.76 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.47 7.81 504 V 9.08 4.98 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 1.08 0.00 0.00 0.99 0.00 0.00 505 I 8.44 5.47 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.43 1.05 0.00 0.00 506 T 7.72 4.86 4.09 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 1.16 0.00 0.00 507 Y 7.88 5.53 0.00 2.57 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 0.00 508 G 8.08 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 0.00 509 T 8.40 4.24 4.19 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 1.25 0.00 0.00 510 F 7.31 3.36 0.00 3.09 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 0.00 511 D 7.82 4.54 0.00 2.69 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 0.00 512 L 7.49 4.64 0.00 1.73 1.66 0.89 0.92 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 0.00 513 L 8.33 4.01 0.00 1.66 1.72 1.02 1.04 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 0.00 514 H 8.36 5.21 0.00 3.19 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 W 8.99 4.51 0.00 3.75 3.42 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 0.00 516 G 7.49 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 0.00 0.00 0.00 517 H 7.78 4.38 0.00 3.42 3.57 0.00 5.65 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 0.00 518 I 7.81 3.85 2.18 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 1.88 1.10 1.12 0.00 0.00 519 K 8.22 3.97 0.00 1.95 1.91 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.74 7.81 520 L 7.83 3.93 0.00 1.84 1.99 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 521 L 8.02 3.95 0.00 1.93 1.72 0.78 0.39 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 0.00 522 E 8.07 2.54 0.00 1.61 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.84 0.00 523 R 7.60 3.86 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 524 A 8.29 4.07 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 0.00 525 K 7.95 3.90 0.00 1.93 1.87 0.00 1.52 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.53 7.81 526 Q 7.65 4.23 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 527 L 7.52 4.60 0.00 1.85 1.73 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 528 G 8.18 4.03 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 0.00 529 D 9.06 5.01 0.00 2.57 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 0.00 530 Y 7.87 4.87 0.00 2.96 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 0.00 531 L 9.19 5.07 0.00 1.66 1.50 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 532 V 8.73 4.67 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 0.72 0.00 0.00 1.16 0.00 0.00 533 V 8.62 4.49 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 0.61 0.00 0.00 0.65 0.00 0.00 534 A 8.47 4.99 0.65 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 0.00 0.00 535 I 8.40 5.71 2.04 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.02 0.98 0.00 0.00 536 S 9.02 4.94 0.00 3.83 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 0.00 537 T 8.70 4.17 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 0.87 0.00 0.00 538 D 8.67 4.43 0.00 2.73 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 0.00 539 E 8.08 4.02 0.00 2.06 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 2.39 2.42 0.00 540 F 8.26 4.50 0.00 3.08 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 0.00 541 N 8.29 4.09 0.00 2.94 2.97 0.00 0.00 6.67 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 L 7.88 3.93 0.00 1.96 1.84 0.94 0.90 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 0.00 543 Q 7.78 4.10 0.00 2.47 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 544 K 7.73 4.31 0.00 1.64 1.78 0.00 1.55 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.20 0.69 7.81 545 Q 8.03 3.43 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 546 K 7.98 4.44 0.00 1.73 1.60 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.38 7.81 547 K 8.20 4.07 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.38 7.81 548 A 8.33 4.59 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 0.00 549 Y 9.19 3.98 0.00 2.96 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 0.00 550 H 8.98 4.69 0.00 3.31 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 S 8.37 4.40 0.00 4.05 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 0.00 552 Y 8.93 4.04 0.00 3.15 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 0.00 553 E 8.27 3.80 0.00 1.94 1.90 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 2.52 2.37 0.00 554 H 7.92 4.45 0.00 3.13 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 R 8.27 3.91 0.00 1.95 1.97 0.00 3.45 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 556 K 7.86 3.64 0.00 1.15 1.62 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.25 7.81 557 L 7.36 3.85 0.00 1.83 1.89 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 558 I 7.64 3.83 1.82 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 1.47 0.92 0.88 0.00 0.00 559 L 7.85 3.91 0.00 1.75 1.49 0.49 0.53 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 0.00 560 E 8.20 4.06 0.00 1.99 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 0.00 2.24 2.44 0.00 561 T 7.25 4.26 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 1.20 0.00 0.00 562 I 7.11 3.83 1.85 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 1.48 1.29 0.87 0.00 0.00 563 R 8.43 3.76 0.00 1.13 1.68 0.00 2.92 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 564 Y 7.15 4.27 0.00 2.92 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 0.00 565 V 7.37 3.90 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 0.58 0.00 0.00 0.78 0.00 0.00 566 D 8.33 4.42 0.00 1.67 1.54 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 0.00 567 E 7.46 4.66 0.00 2.03 1.73 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 2.28 2.33 0.00 568 V 8.30 4.91 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 0.80 0.00 0.00 0.77 0.00 0.00 569 I 8.63 4.87 1.87 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 1.13 0.70 0.87 0.00 0.00 570 P 0.00 5.07 0.00 1.94 1.92 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 571 E 9.27 4.62 0.00 2.22 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 0.00 2.19 2.43 0.00 572 K 9.38 4.09 0.00 1.52 1.66 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.24 7.81 573 N 6.76 3.40 0.00 2.61 2.46 0.00 0.00 6.08 8.88 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 0.00 574 W 8.57 4.50 0.00 3.35 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 0.00 575 E 8.35 4.26 0.00 2.04 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 2.50 2.29 0.00 576 Q 8.36 3.90 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 577 K 7.53 3.86 0.00 1.79 1.73 0.00 1.32 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 1.16 7.81 578 K 8.09 3.95 0.00 1.98 1.89 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.55 1.54 7.81 579 Q 8.09 4.01 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.83 0.00 580 D 8.22 4.43 0.00 3.13 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 0.00 581 I 7.79 3.76 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.91 0.00 0.00 582 I 7.49 3.74 2.02 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 1.53 1.57 0.91 0.00 0.00 583 D 8.42 4.29 0.00 2.62 2.58 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 0.00 584 H 8.44 4.53 0.00 3.26 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 585 N 7.59 4.15 0.00 2.76 2.82 0.00 0.00 6.95 8.79 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 0.00 586 I 7.93 4.02 1.93 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 1.37 0.81 1.08 0.00 0.00 587 D 9.17 4.81 0.00 2.69 2.70 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 0.00 588 V 7.67 4.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 589 F 9.58 5.24 0.00 2.97 2.74 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 0.00 590 V 8.24 4.82 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 0.94 0.00 0.00 0.85 0.00 0.00 591 M 8.76 4.76 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.89 0.00 592 G 8.99 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 0.00 0.00 0.00 0.00 593 D 9.17 4.73 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 0.00 594 D 8.12 4.48 0.00 2.50 2.71 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 0.00 595 W 8.19 4.53 0.00 3.95 3.55 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 0.00 596 E 7.33 2.54 0.00 1.67 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 0.00 2.22 2.17 0.00 597 G 7.85 4.15 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 0.00 598 K 7.95 3.94 0.00 1.58 1.26 0.00 1.77 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.54 1.18 7.81 599 F 8.03 4.95 0.00 3.20 2.41 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 0.00 600 D 8.26 4.61 0.00 2.89 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 0.00 601 F 8.12 4.45 0.00 3.17 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 0.00 602 L 7.14 4.25 0.00 1.24 1.30 -0.20 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 603 K 7.86 4.41 0.00 1.85 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.36 7.81 604 D 7.95 4.62 0.00 2.84 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 0.00 605 Q 7.70 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 606 C 7.26 4.70 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 E 8.90 4.34 0.00 1.96 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 2.32 2.26 0.00 608 V 8.34 4.81 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 0.60 0.00 0.00 0.78 0.00 0.00 609 V 8.92 4.36 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 0.93 0.00 0.00 0.92 0.00 0.00 610 Y 8.68 5.32 0.00 3.03 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 0.00 611 L 8.96 4.87 0.00 1.64 1.61 0.92 0.86 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 0.00 612 P 0.00 5.18 0.00 2.11 2.10 0.00 3.43 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 613 R 8.74 4.15 0.00 1.83 1.89 0.00 3.39 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 614 T 8.10 4.29 4.08 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 1.06 0.00 0.00 615 E 8.66 4.02 0.00 2.02 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 2.33 2.28 0.00 616 G 9.84 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 0.00 0.00 0.00 617 I 7.00 4.26 1.12 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 0.25 -0.34 -0.35 0.00 0.00 618 S 7.73 4.33 0.00 3.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 T 8.24 3.91 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 0.00 620 T 7.80 3.91 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 0.00 621 K 7.67 3.94 0.00 1.85 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.47 7.81 622 I 7.25 3.67 2.02 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 1.52 0.79 0.90 0.00 0.00 623 K 7.94 4.10 0.00 1.99 1.86 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.47 7.81 624 E 8.48 4.05 0.00 2.01 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 2.51 0.00 625 E 8.31 4.45 0.00 1.95 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 2.33 2.56 0.00 626 I 7.31 4.18 1.90 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 1.14 0.70 0.87 0.00 0.00