NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 542 S 4.3708 8.1885 115.2917 57.6441 63.7987 174.2113 543 A 3.9407 8.4891 125.2749 54.4709 17.7876 176.5500 544 E 3.9729 9.0098 118.9698 59.3129 30.0599 177.3661 545 K 4.0658 8.4552 119.0862 58.8307 32.2194 178.8826 546 L 3.9372 7.8344 120.2285 58.2771 41.9254 178.9068 547 L 3.9446 7.9194 118.7399 57.8709 41.4838 178.8106 548 Q 4.0162 7.7785 119.4250 60.2908 28.9323 177.9935 549 E 3.7757 8.8933 117.9149 59.1562 29.1141 179.0066 550 Y 3.9032 7.5180 123.2419 61.2679 40.0424 178.5232 551 C 3.8866 8.2417 117.6100 62.5659 27.7994 176.0400 552 A 3.8897 7.3802 121.1728 54.5447 18.0658 178.4379 553 E 4.4571 8.2828 115.6275 56.4705 30.5996 177.4309 554 T 4.3023 7.6361 113.0431 62.8763 74.1798 175.3002 555 G 3.8892 7.9103 108.3892 45.8417 0.0000 173.5867 556 A 3.9486 7.0523 122.7175 52.0412 18.7223 178.9907 557 K 4.4453 8.5819 121.6345 56.1687 33.6912 176.2885 558 D 4.9182 8.5629 119.7492 56.1376 41.1532 177.1321 559 G 4.1596 9.3863 110.8102 45.4886 0.0000 174.1838 560 T 4.3369 8.0658 117.0567 63.8463 69.3808 173.8053 561 F 5.9496 8.2468 120.9102 55.2600 41.7241 173.3675 562 L 4.3240 8.3535 114.4174 55.2380 42.9129 173.4659 563 V 4.9832 8.6338 121.0617 61.3653 33.6396 174.7795 564 R 4.8969 8.8317 126.0559 53.9904 33.8569 174.7033 565 E 3.8269 8.7998 123.2516 55.8626 30.4021 176.3326 566 S 4.1465 8.1019 121.7184 59.0403 62.7625 173.4596 567 E 4.3184 8.7150 121.1980 57.5020 30.1323 176.5262 568 T 4.5258 7.4821 104.9203 62.6877 72.2620 175.0997 569 F 5.0730 7.5512 121.7879 57.2914 37.9476 178.0314 *572 D 4.8629 8.7962 128.6572 55.5481 42.3796 172.6102 573 Y 5.1965 8.5196 117.3254 56.7948 43.2836 174.1486 574 T 4.9478 9.4468 117.0504 61.8095 72.1535 172.9767 575 L 5.0537 8.9887 128.3374 53.6916 44.3973 175.1800 576 S 5.4671 9.1134 121.9041 56.8023 66.5515 173.0921 577 F 5.7682 8.5332 118.1439 54.9203 42.0357 173.2994 578 W 4.8860 9.7538 131.2120 57.3328 32.1616 175.4399 579 R 4.4987 8.3259 128.2337 55.3448 32.1862 174.8185 580 S 3.6905 9.8127 126.5679 59.5111 60.6433 173.9010 581 G 3.9077 7.2165 105.7321 45.4004 0.0000 172.6212 582 R 4.2771 6.7048 118.1259 54.0592 32.7184 174.7831 583 V 4.4873 7.9511 120.0634 61.8133 32.6843 175.4151 584 Q 4.2856 8.1911 127.7400 54.9816 31.2497 174.0210 585 H 5.7876 7.8576 113.9255 56.0981 31.5207 173.4016 586 C 5.1922 8.5738 117.7422 55.4928 47.0240 172.7716 587 R 4.4924 8.8692 126.9268 56.3393 30.7094 175.5422 588 I 4.3860 8.8215 127.3276 60.1575 38.9523 175.6994 589 R 4.5502 8.0654 126.7450 54.8095 32.6531 175.3216 590 S 5.5252 8.3787 113.4516 56.8943 66.6091 172.8664 591 T 4.5499 8.0767 109.3842 61.6614 72.0793 171.2345 592 M 4.9341 8.5509 120.7863 53.6617 34.4178 175.7881 593 E 4.2756 9.1582 125.7628 54.7975 30.1623 175.0267 594 N 4.3668 9.5271 127.6112 54.5624 37.1709 175.1830 595 G 3.9894 8.5372 104.9849 44.8153 0.0000 173.7318 596 V 4.4312 7.1553 119.6685 59.5929 33.8828 175.1578 597 M 4.5605 8.6250 124.3698 55.8407 32.9387 175.1744 598 K 5.0014 8.9188 123.7809 55.0774 37.4489 174.6476 599 Y 5.5435 9.0297 118.8763 57.0105 42.3662 174.1808 600 Y 5.2587 8.5051 117.8757 56.9956 41.4853 174.5502 601 L 4.4907 8.9914 119.1165 55.6587 44.7257 176.7702 602 T 5.1089 8.0052 111.8309 59.8704 70.4725 173.7363 603 D 3.6720 9.0914 128.0709 57.4879 40.8432 177.5562 604 N 4.4410 7.9392 112.7305 53.1301 37.6478 174.7796 605 L 4.1577 7.7049 121.1487 54.2251 43.4480 175.0065 606 T 4.8607 7.8108 115.7276 59.9487 71.2463 173.7510 607 F 4.9674 9.1225 120.0569 55.7500 42.9204 176.1050 608 N 4.5877 9.0294 119.7071 55.9040 38.9464 175.6938 609 S 4.9551 7.8145 111.5906 56.3614 66.9792 175.3280 610 I 3.3752 7.9875 122.6527 64.2426 36.6423 177.8539 611 Y 3.9011 8.0032 119.7615 60.8742 38.7431 178.1603 612 A 3.8661 8.0206 120.9858 54.7711 18.5689 179.4076 613 L 2.4400 7.5370 118.8065 57.7762 41.9602 179.1104 614 I 3.3994 7.4179 118.5165 64.5985 37.4966 177.9929 615 Q 3.8717 7.5893 118.6578 59.1952 28.3272 178.8500 616 H 3.9554 7.6516 118.7504 59.2765 29.6462 176.2978 617 Y 4.8087 6.9508 115.7547 57.8861 37.5784 176.6702 618 R 4.2841 7.3819 120.5372 56.5355 30.9456 176.3346 619 E 4.5205 7.9657 115.2102 55.8833 31.4290 175.5873 620 A 4.6998 7.2471 121.2101 49.9937 22.3611 175.1884 621 H 4.5239 8.7074 116.2120 54.9942 29.3573 175.5680 622 L 3.8246 8.2424 121.2437 55.3955 42.0343 177.0543 623 R 4.6233 7.5609 118.5390 54.9317 33.9819 175.9554 624 C 4.7415 9.0359 121.8959 53.9753 42.5988 173.8477 625 A 3.8430 8.8115 130.4029 54.5675 18.4127 179.6903 626 E 3.7880 8.1425 115.9043 58.5270 29.6787 177.3379 627 F 5.0481 7.9903 114.1037 57.3730 39.8967 176.4360 628 E 4.4928 7.6527 122.2762 54.6476 27.6225 174.0378 629 L 4.8893 7.5039 120.6123 53.5967 44.1861 176.5312 630 R 4.5433 8.1735 117.0233 54.4847 31.3955 176.9214 631 L 4.3765 8.3469 121.9351 54.9893 44.0052 176.1551 632 T 4.4397 8.6770 109.0249 62.2210 68.4274 176.2665 633 D 4.6298 9.2746 113.9707 52.8207 42.4304 174.0159 634 P 4.6483 0.0000 0.0000 61.6174 32.9281 175.4072 635 V 3.9414 8.0723 119.9537 61.0534 31.4219 173.3300 636 P 4.0299 0.0000 0.0000 65.4850 31.3603 175.2712 637 N 5.1140 7.5408 117.2928 48.7683 40.8319 172.8295 638 P 4.3961 0.0000 0.0000 63.2404 31.3278 176.1701 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 542 S 8.19 4.37 0.00 3.88 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 0.00 543 A 8.49 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 E 9.01 3.97 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 2.42 2.51 0.00 545 K 8.46 4.07 0.00 1.98 1.85 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 546 L 7.83 3.94 0.00 1.71 1.82 0.89 0.61 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 0.00 547 L 7.92 3.94 0.00 1.98 1.86 1.10 0.92 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 0.00 548 Q 7.78 4.02 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 549 E 8.89 3.78 0.00 2.21 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 2.33 2.57 0.00 550 Y 7.52 3.90 0.00 2.90 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 0.00 551 C 8.24 3.89 0.00 1.46 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 0.00 552 A 7.38 3.89 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 0.00 553 E 8.28 4.46 0.00 1.74 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 2.23 2.44 0.00 554 T 7.64 4.30 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 0.91 0.00 0.00 555 G 7.91 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 A 7.05 3.95 1.25 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 0.00 0.00 0.00 557 K 8.58 4.45 0.00 2.06 2.04 0.00 1.59 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.57 7.81 558 D 8.56 4.92 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 G 9.39 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 0.00 560 T 8.07 4.34 4.44 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 0.00 0.00 0.00 1.15 0.00 0.00 561 F 8.25 5.95 0.00 3.27 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 0.00 562 L 8.35 4.32 0.00 1.60 1.62 0.90 0.47 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 0.00 563 V 8.63 4.98 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 0.83 0.00 0.00 1.04 0.00 0.00 564 R 8.83 4.90 0.00 1.80 1.80 0.00 3.37 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 565 E 8.80 3.83 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 2.06 1.73 0.00 566 S 8.10 4.15 0.00 3.90 3.78 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 0.00 567 E 8.72 4.32 0.00 1.91 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 2.13 2.22 0.00 568 T 7.48 4.53 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 1.07 0.00 0.00 569 F 7.55 5.07 0.00 3.06 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 0.00 0.00 0.00 *572 D 8.80 4.86 0.00 2.74 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 0.00 573 Y 8.52 5.20 0.00 2.79 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 0.00 574 T 9.45 4.95 4.30 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 1.27 0.00 0.00 575 L 8.99 5.05 0.00 1.71 1.77 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 576 S 9.11 5.47 0.00 3.89 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 0.00 577 F 8.53 5.77 0.00 3.34 3.23 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 0.00 578 W 9.75 4.89 0.00 3.50 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 0.00 579 R 8.33 4.50 0.00 2.05 1.53 0.00 3.33 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 580 S 9.81 3.69 0.00 3.79 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 0.00 581 G 7.22 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 0.00 0.00 0.00 582 R 6.70 4.28 0.00 1.73 1.53 0.00 2.99 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 583 V 7.95 4.49 2.10 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 0.88 0.00 0.00 1.24 0.00 0.00 584 Q 8.19 4.29 0.00 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 1.85 2.10 0.00 585 H 7.86 5.79 0.00 3.18 3.24 0.00 5.18 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 C 8.57 5.19 0.00 3.20 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 0.00 587 R 8.87 4.49 0.00 1.87 1.73 0.00 3.30 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 588 I 8.82 4.39 2.07 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 1.18 0.57 0.88 0.00 0.00 589 R 8.07 4.55 0.00 0.68 1.53 0.00 2.93 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 590 S 8.38 5.53 0.00 3.62 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 0.00 591 T 8.08 4.55 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 1.32 0.00 0.00 592 M 8.55 4.93 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 593 E 9.16 4.28 0.00 1.90 1.78 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 2.14 2.14 0.00 594 N 9.53 4.37 0.00 2.85 2.82 0.00 0.00 7.35 7.98 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 0.00 595 G 8.54 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 0.00 596 V 7.16 4.43 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 0.90 0.00 0.00 0.93 0.00 0.00 597 M 8.63 4.56 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 598 K 8.92 5.00 0.00 1.68 1.67 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 599 Y 9.03 5.54 0.00 3.02 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 0.00 600 Y 8.51 5.26 0.00 3.48 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 0.00 601 L 8.99 4.49 0.00 1.56 1.82 0.21 0.40 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 0.00 602 T 8.01 5.11 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 1.40 0.00 0.00 603 D 9.09 3.67 0.00 2.56 2.50 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 0.00 0.00 0.00 0.00 604 N 7.94 4.44 0.00 2.78 2.87 0.00 0.00 5.70 7.79 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 0.00 605 L 7.70 4.16 0.00 1.54 1.63 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 606 T 7.81 4.86 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 0.00 607 F 9.12 4.97 0.00 3.22 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 0.00 608 N 9.03 4.59 0.00 2.85 2.98 0.00 0.00 6.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 S 7.81 4.96 0.00 4.12 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 0.00 610 I 7.99 3.38 1.53 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.58 0.00 0.00 611 Y 8.00 3.90 0.00 3.08 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 0.00 612 A 8.02 3.87 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 L 7.54 2.44 0.00 1.61 1.56 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 614 I 7.42 3.40 1.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.20 0.64 0.00 0.00 615 Q 7.59 3.87 0.00 1.63 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 1.38 1.74 0.00 616 H 7.65 3.96 0.00 3.14 2.81 0.00 5.58 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 0.00 617 Y 6.95 4.81 0.00 2.83 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 0.00 618 R 7.38 4.28 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 619 E 7.97 4.52 0.00 1.90 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 2.17 2.12 0.00 620 A 7.25 4.70 1.02 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 0.00 0.00 621 H 8.71 4.52 0.00 3.28 3.32 0.00 5.55 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 L 8.24 3.82 0.00 1.47 1.39 -0.13 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 623 R 7.56 4.62 0.00 1.78 1.82 0.00 3.34 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 624 C 9.04 4.74 0.00 3.00 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 0.00 625 A 8.81 3.84 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 E 8.14 3.79 0.00 1.62 1.30 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 1.47 1.90 0.00 627 F 7.99 5.05 0.00 3.12 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 0.00 628 E 7.65 4.49 0.00 2.09 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 2.34 2.51 0.00 629 L 7.50 4.89 0.00 1.73 1.68 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 630 R 8.17 4.54 0.00 1.83 1.90 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 631 L 8.35 4.38 0.00 1.65 1.61 0.93 0.82 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 0.00 632 T 8.68 4.44 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 1.23 0.00 0.00 633 D 9.27 4.63 0.00 2.70 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 0.00 634 P 0.00 4.65 0.00 2.17 2.04 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 635 V 8.07 3.94 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 0.85 0.00 0.00 0.93 0.00 0.00 636 P 0.00 4.03 0.00 2.21 2.06 0.00 3.76 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 2.00 1.99 0.00 637 N 7.54 5.11 0.00 2.79 2.78 0.00 0.00 6.01 7.75 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 0.00 638 P 0.00 4.40 0.00 2.19 2.08 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.