NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -22 M 4.4849 8.3044 118.7934 54.5795 33.3701 175.7495 -21 H 4.3429 8.8816 115.4820 56.0355 31.4944 172.3170 -20 H 4.8049 8.4707 123.0583 53.9253 32.3736 172.6179 -19 H 4.3698 8.5231 122.3488 55.8521 30.4492 174.2260 -18 H 4.5580 8.2162 123.5653 54.0755 29.8199 173.8494 -17 H 4.3115 8.6296 125.8930 56.0897 28.6361 173.4520 -16 H 4.4880 7.7222 120.6747 54.2819 30.5920 173.7771 -15 S 4.1991 8.5451 114.6145 58.1942 63.2862 174.5833 -14 S 4.3173 8.5648 115.9184 58.2611 62.9412 175.2802 -13 G 3.6415 8.7969 116.5404 47.7019 0.0000 175.4740 -12 V 3.6151 7.7061 120.1152 65.8253 31.6765 177.4953 -11 D 4.3730 8.3296 118.9517 57.4926 40.6517 178.9565 -10 L 4.0511 8.0249 119.1912 57.8923 41.7940 179.8825 -9 G 3.6353 8.4065 106.2392 48.0027 0.0000 175.7073 -8 T 4.0964 8.1871 111.9729 64.1439 68.9543 176.6895 -7 E 4.0323 8.2979 122.4854 59.3017 29.6783 178.3829 -6 N 4.3471 8.5331 116.9279 56.3068 38.6448 177.1477 -5 L 3.9976 7.9021 121.4613 58.1401 42.1176 178.1431 -4 Y 4.0709 8.1551 119.5401 60.9305 38.5197 177.9767 -3 F 3.8518 8.4277 117.0561 61.0430 39.4338 177.6812 -2 Q 4.1925 8.5782 116.6451 58.0379 28.3119 177.9904 -1 S 4.6705 7.5102 115.9353 57.7231 64.1497 174.3816 0 M 3.9301 7.3357 121.7522 53.8499 32.4621 174.0226 *514 P 4.3391 0.0000 0.0000 62.2263 32.9004 175.8967 515 R 4.6801 8.5842 119.4942 54.1910 32.6496 174.6377 516 S 4.8390 8.6177 116.4980 57.9654 63.5593 173.0011 517 I 4.4980 9.3126 128.6139 59.7465 39.5130 174.5836 518 R 5.2951 8.5974 126.7407 54.4927 32.0579 175.5523 519 F 5.0492 8.8587 118.4821 56.3712 41.8849 172.7674 520 T 4.6852 8.9179 108.4561 60.0206 71.7801 174.6420 521 A 4.6642 8.5156 129.0808 49.9155 17.9793 175.2061 522 E 4.0236 8.5810 118.5586 58.2144 30.1133 177.6612 523 E 4.5848 9.1347 118.6085 55.5330 27.0443 172.1742 524 G 3.8939 8.4121 106.8728 46.4947 0.0000 174.1194 525 D 4.5018 7.7067 120.4917 53.2573 40.8009 176.5456 526 L 3.8503 8.3949 129.9925 56.0763 42.4972 177.9734 527 G 4.1616 9.3000 105.8654 44.9816 0.0000 172.0938 528 F 5.6162 7.0068 112.8932 55.6424 41.2919 174.0726 529 T 4.6954 9.1599 110.8396 60.7160 71.3937 173.1223 530 L 5.5067 8.3170 120.4244 53.3697 45.6942 176.1095 531 R 4.4767 8.9666 119.8334 56.3374 34.0252 176.0861 532 G 4.1157 8.9627 113.9166 44.9213 0.0000 172.1328 533 N 4.8719 8.0090 114.0649 52.5118 42.5952 174.6438 534 A 4.3321 8.5798 123.0383 51.5726 16.1419 174.4928 535 P 4.7143 0.0000 0.0000 60.9782 33.9658 177.5421 536 V 4.1552 8.2477 120.0129 62.6988 33.2066 174.1730 537 Q 4.9258 8.8501 127.7939 53.8299 31.9514 174.8103 538 V 3.8583 8.5075 126.7059 65.2206 32.3821 173.0710 539 H 4.5911 9.5006 127.0690 56.3045 31.4260 175.5747 540 F 4.2564 5.7379 117.6354 58.3745 41.3960 173.8277 541 L 4.5510 6.9173 126.5855 53.1129 45.0063 174.7953 542 D 4.4383 8.7661 128.0001 53.3811 41.5596 175.3908 543 P 4.3268 0.0000 0.0000 64.6748 31.5838 176.8094 544 Y 4.3487 8.3108 116.3673 59.3800 38.4470 176.1724 545 C 4.5509 7.8142 116.3317 57.7146 31.8010 174.6876 546 S 4.1649 8.6952 116.5538 61.5375 62.6251 176.3473 547 A 3.5638 8.0293 123.9404 54.7796 17.9002 179.4240 548 S 3.7935 7.8153 111.0240 61.5850 62.4198 176.2757 549 V 3.5262 7.6693 119.2871 65.9358 31.2698 177.2526 550 A 4.2373 8.0276 118.8156 52.6348 18.4244 177.9749 551 G 3.9308 8.0380 105.1855 44.7599 0.0000 174.2131 552 A 3.9315 7.4374 122.4458 52.3333 19.0555 177.5728 553 R 4.5557 8.8763 118.9404 53.6788 34.2337 175.0223 554 E 3.9572 8.4289 119.2930 58.3761 29.7506 177.9900 555 G 3.7957 8.9763 112.1610 45.1539 0.0000 173.6660 556 D 4.4541 7.5718 119.9314 55.0748 42.0946 175.1303 557 Y 4.7704 8.9890 120.3215 56.6695 40.1621 174.8023 558 I 4.4872 8.6169 125.6744 60.9521 37.4577 175.9998 559 V 4.4158 9.1018 121.0866 62.0139 34.1653 175.9222 560 S 5.1070 7.7847 112.9922 57.1708 66.4873 173.5293 561 I 4.8753 8.5793 122.0958 59.4053 39.7983 176.1235 562 Q 3.5693 8.9498 128.2589 56.3091 28.7665 174.8760 563 L 4.5922 8.6635 124.9938 55.4042 41.8788 175.4648 564 V 4.1353 8.0342 120.6671 61.3083 32.2942 174.7500 565 D 4.8346 8.7326 127.3220 54.5336 41.8485 175.3409 566 C 4.7859 8.9125 122.9911 59.4415 29.5311 175.9206 567 K 3.7843 8.6485 120.8595 58.6364 31.6688 178.3398 568 W 4.5682 8.1349 115.2234 56.2415 29.7010 175.6641 569 L 4.6768 7.6757 120.0153 53.9372 42.3386 176.7804 570 T 4.5641 9.1139 113.2356 60.9359 70.9545 175.5066 571 L 3.9373 8.9184 123.4438 58.6435 41.9798 179.1911 572 S 4.1034 8.0678 112.1916 61.4928 62.3231 175.7943 573 E 4.0068 8.1882 121.2344 59.4192 29.1763 179.5668 574 V 3.6340 8.1546 118.5527 66.0917 31.5511 177.5498 575 M 4.0392 8.2628 118.0676 58.8301 32.1800 178.3942 576 K 4.0164 8.2390 118.4045 59.2927 31.9771 179.1582 577 L 4.0606 7.9773 118.4436 58.1470 42.0901 179.4390 578 L 4.3765 8.2721 118.7397 57.6957 41.5318 179.4844 579 K 4.0353 8.6483 120.4121 59.3934 31.8947 178.8423 580 S 4.1421 7.8870 113.3266 61.1796 62.8667 176.0727 581 F 4.1413 8.5142 120.7829 57.4222 38.9160 176.8197 582 G 3.9900 8.4226 106.8792 47.2634 0.0000 174.1638 583 E 4.4469 8.6592 124.1328 55.9775 29.5418 175.4731 584 D 4.8465 8.1137 119.9727 53.2162 41.6944 175.6968 585 E 3.9108 8.6547 121.8756 57.0890 30.0955 175.8916 586 I 3.6854 8.4849 127.8173 59.1102 39.4135 174.0488 587 E 5.1846 8.3206 127.0159 54.5318 32.1353 174.3422 588 M 5.0641 9.1505 123.4810 53.4973 35.4944 174.1479 589 K 5.1102 8.9889 119.5653 54.9287 34.8642 175.9077 590 V 5.0215 8.6652 116.7847 59.6340 36.0181 174.9582 591 V 4.7198 8.6270 115.2935 59.9731 34.7223 176.9549 592 S 4.8716 8.7890 119.0715 59.1169 64.1472 174.4955 593 L 4.7920 8.3140 120.0743 52.7023 44.5312 176.3750 594 L 4.0142 8.4284 123.8839 55.0220 41.9223 175.8245 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 -22 M 8.30 4.48 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 -21 H 8.88 4.34 0.00 3.16 3.24 0.00 5.84 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 -20 H 8.47 4.80 0.00 2.92 2.99 0.00 5.94 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 -19 H 8.52 4.37 0.00 3.05 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -18 H 8.22 4.56 0.00 3.03 3.09 0.00 5.75 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -17 H 8.63 4.31 0.00 3.08 3.27 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -16 H 7.72 4.49 0.00 3.15 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -15 S 8.55 4.20 0.00 3.99 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 -14 S 8.56 4.32 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -13 G 8.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -12 V 7.71 3.62 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 1.07 0.00 0.00 0.94 0.00 0.00 -11 D 8.33 4.37 0.00 2.90 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 -10 L 8.02 4.05 0.00 1.68 1.68 0.88 0.63 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 -9 G 8.41 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 T 8.19 4.10 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 -7 E 8.30 4.03 0.00 2.24 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 2.56 2.53 0.00 -6 N 8.53 4.35 0.00 2.95 2.86 0.00 0.00 6.69 6.96 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 -5 L 7.90 4.00 0.00 2.07 1.89 0.95 0.78 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 -4 Y 8.16 4.07 0.00 3.26 3.26 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 -3 F 8.43 3.85 0.00 3.23 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 -2 Q 8.58 4.19 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 -1 S 7.51 4.67 0.00 3.85 3.84 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 0 M 7.34 3.93 0.00 1.62 1.52 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.64 0.00 *514 P 0.00 4.34 0.00 2.01 2.00 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 1.87 2.02 0.00 515 R 8.58 4.68 0.00 1.78 1.92 0.00 2.76 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 516 S 8.62 4.84 0.00 3.90 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 I 9.31 4.50 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.78 0.00 0.00 518 R 8.60 5.30 0.00 1.71 1.86 0.00 3.24 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 519 F 8.86 5.05 0.00 3.14 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 0.00 520 T 8.92 4.69 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 1.19 0.00 0.00 521 A 8.52 4.66 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 0.00 522 E 8.58 4.02 0.00 1.90 1.89 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 2.32 1.90 0.00 523 E 9.13 4.58 0.00 2.15 1.94 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 2.12 1.82 0.00 524 G 8.41 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 0.00 525 D 7.71 4.50 0.00 2.75 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 0.00 526 L 8.39 3.85 0.00 1.45 1.33 1.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 527 G 9.30 4.16 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 0.00 0.00 0.00 528 F 7.01 5.62 0.00 3.03 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 0.00 529 T 9.16 4.70 4.35 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 1.31 0.00 0.00 530 L 8.32 5.51 0.00 1.57 1.64 1.02 1.10 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 0.00 531 R 8.97 4.48 0.00 1.80 1.68 0.00 3.05 0.00 0.00 2.82 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 532 G 8.96 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 0.00 533 N 8.01 4.87 0.00 2.68 2.70 0.00 0.00 6.89 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 0.00 534 A 8.58 4.33 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 0.00 535 P 0.00 4.71 0.00 2.16 1.98 0.00 3.63 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.75 0.00 536 V 8.25 4.16 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 1.15 0.00 0.00 1.04 0.00 0.00 537 Q 8.85 4.93 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 538 V 8.51 3.86 1.94 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 0.44 0.00 0.00 0.52 0.00 0.00 539 H 9.50 4.59 0.00 3.13 3.08 0.00 6.01 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 0.00 540 F 5.74 4.26 0.00 3.31 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 0.00 541 L 6.92 4.55 0.00 1.32 1.13 0.69 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 542 D 8.77 4.44 0.00 2.94 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 0.00 543 P 0.00 4.33 0.00 1.77 1.93 0.00 3.38 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 544 Y 8.31 4.35 0.00 3.14 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 0.00 545 C 7.81 4.55 0.00 3.28 3.15 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 0.00 546 S 8.70 4.16 0.00 4.20 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 0.00 547 A 8.03 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 S 7.82 3.79 0.00 3.87 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 0.00 549 V 7.67 3.53 2.20 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 0.88 0.00 0.00 0.94 0.00 0.00 550 A 8.03 4.24 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 0.00 551 G 8.04 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 0.00 0.00 0.00 552 A 7.44 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 R 8.88 4.56 0.00 2.00 1.64 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 554 E 8.43 3.96 0.00 1.80 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 2.16 2.29 0.00 555 G 8.98 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 0.00 0.00 0.00 556 D 7.57 4.45 0.00 2.47 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 0.00 557 Y 8.99 4.77 0.00 2.81 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 0.00 558 I 8.62 4.49 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.97 0.00 0.00 559 V 9.10 4.42 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 0.75 0.00 0.00 0.97 0.00 0.00 560 S 7.78 5.11 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 I 8.58 4.88 2.00 0.00 0.00 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 1.30 0.91 1.07 0.00 0.00 562 Q 8.95 3.57 0.00 2.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.31 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 563 L 8.66 4.59 0.00 1.65 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 564 V 8.03 4.14 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 1.00 0.00 0.00 0.98 0.00 0.00 565 D 8.73 4.83 0.00 2.74 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 0.00 566 C 8.91 4.79 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 K 8.65 3.78 0.00 1.87 1.21 0.00 1.53 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.52 7.81 568 W 8.13 4.57 0.00 3.28 3.29 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 0.00 569 L 7.68 4.68 0.00 1.91 1.64 1.05 0.74 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 0.00 570 T 9.11 4.56 4.40 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 1.26 0.00 0.00 571 L 8.92 3.94 0.00 2.02 1.75 1.01 1.29 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 0.00 572 S 8.07 4.10 0.00 3.95 3.87 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 0.00 0.00 0.00 573 E 8.19 4.01 0.00 2.28 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 2.37 2.36 0.00 574 V 8.15 3.63 2.15 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 1.10 0.00 0.00 1.00 0.00 0.00 575 M 8.26 4.04 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 576 K 8.24 4.02 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.62 7.81 577 L 7.98 4.06 0.00 1.88 1.92 1.01 1.28 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 0.00 578 L 8.27 4.38 0.00 1.77 1.80 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 579 K 8.65 4.04 0.00 1.91 1.84 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 580 S 7.89 4.14 0.00 3.98 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 0.00 581 F 8.51 4.14 0.00 3.20 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 0.00 582 G 8.42 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 E 8.66 4.45 0.00 2.05 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 2.51 2.33 0.00 584 D 8.11 4.85 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.91 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 586 I 8.48 3.69 0.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.19 0.07 0.00 0.00 587 E 8.32 5.18 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 588 M 9.15 5.06 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.81 0.00 589 K 8.99 5.11 0.00 1.67 1.72 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.54 7.81 590 V 8.67 5.02 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 0.66 0.00 0.00 0.89 0.00 0.00 591 V 8.63 4.72 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 0.68 0.00 0.00 0.98 0.00 0.00 592 S 8.79 4.87 0.00 3.87 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 0.00 593 L 8.31 4.79 0.00 1.66 1.52 0.94 0.29 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 0.00 594 L 8.43 4.01 0.00 0.45 0.89 0.62 0.23 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 * Residues marked with a * may have inaccurate shift predictions.