NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 518 S 4.4102 8.4345 117.0997 58.2241 63.8721 174.1019 519 D 4.4911 8.5984 122.0060 52.4108 40.4049 174.1196 520 Q 4.1229 8.5774 118.9033 54.5943 29.5598 179.3583 521 P 4.3786 0.0000 0.0000 61.1102 32.3817 177.1998 522 L 3.9737 8.6372 124.4946 58.2270 41.9216 179.1037 523 S 4.5019 7.9049 111.2891 60.3297 63.0378 174.9928 524 G 3.5107 8.0514 109.4734 46.5991 0.0000 173.3905 525 Y 3.9792 7.2665 119.1668 56.1465 38.7553 174.9839 526 P 4.1561 0.0000 0.0000 65.0412 31.7762 177.7846 527 W 4.4305 6.9842 112.9511 56.4720 28.7102 174.9125 528 F 5.3088 7.4729 122.6133 57.3449 39.8014 174.8270 529 H 4.5342 8.6317 124.5617 54.6442 30.2773 177.1262 530 G 3.3858 5.7328 108.1174 46.5031 0.0000 175.1581 531 M 4.3954 8.5293 125.6998 54.5945 31.2133 175.1137 532 L 4.7645 7.9641 125.0714 52.0003 45.4277 177.0470 533 S 4.3408 8.4049 120.1821 58.0510 65.0529 175.2513 534 R 3.7766 8.4675 123.0602 59.5297 29.7458 178.5857 535 L 3.9174 7.7846 119.3971 58.2854 42.2435 178.9632 536 K 4.2176 8.3574 119.4894 58.7912 32.0700 179.2090 537 A 3.9578 8.2855 121.0225 55.0198 18.2571 179.5479 538 A 3.9340 8.2662 119.3423 55.5770 18.0068 179.7413 539 Q 3.9500 8.2666 116.6590 59.1167 28.2551 179.4634 540 L 4.0024 7.9314 119.7900 58.0802 41.5871 179.9875 541 V 3.8568 7.5120 109.7628 63.4708 31.8300 177.7836 542 L 4.5345 8.2429 120.3445 54.9055 41.5232 176.7630 543 E 4.1957 7.3164 115.3052 58.2211 29.2459 182.3610 544 G 4.2726 9.1957 111.5268 43.9846 0.0000 174.4320 545 G 4.0488 8.4266 109.3696 46.5163 0.0000 176.1604 546 T 3.8976 8.5178 114.9780 66.4411 68.7081 176.5591 547 G 3.6990 7.6462 108.9797 48.0305 0.0000 174.0384 548 S 4.6817 8.0948 116.1459 58.3588 63.1156 173.2794 549 H 4.3670 7.7687 120.6240 58.2593 29.8519 175.5047 550 G 4.0109 9.3467 115.7669 45.0197 0.0000 173.3309 551 V 4.4371 7.8211 120.9528 63.1465 32.8662 174.9988 552 F 5.8221 8.7499 121.5018 56.2617 42.1495 172.4770 553 L 4.8293 8.9065 116.3546 55.2750 43.8768 173.7508 554 V 5.3375 9.0047 120.4463 61.4469 34.7308 174.5221 555 R 4.6985 8.8955 122.1675 54.7163 33.5261 173.7767 556 Q 4.7117 8.9512 119.3251 55.0729 29.7318 176.4962 557 S 4.2601 8.6510 120.2658 58.9789 63.0202 174.9528 558 E 4.3067 8.7433 122.4882 57.4832 30.0077 176.2895 559 T 4.4499 7.8710 104.5400 61.7633 71.0433 174.0413 560 R 4.4042 8.0688 122.0822 54.0624 29.9652 175.5723 561 R 4.1728 8.3268 123.0344 57.4960 30.4823 177.6917 562 G 4.0284 9.3423 111.2600 44.8936 0.0000 172.0887 563 E 5.2201 8.0763 118.5247 54.8203 33.5943 174.6280 564 C 5.5048 8.8064 118.3338 58.2085 33.0464 172.8855 565 V 4.8982 9.1336 118.3054 61.6699 35.1075 174.0318 566 L 5.0888 9.3440 130.3797 54.2389 43.1260 174.7617 567 T 5.1155 8.7945 124.4196 62.3534 70.4949 174.3017 568 F 5.3768 8.5858 119.8366 55.8192 42.3126 172.4572 569 N 5.0590 9.3924 119.2171 52.7766 40.1487 173.4455 570 F 5.0209 9.5875 132.0176 56.8067 41.7395 175.7629 571 Q 3.1460 9.7426 127.5496 55.9215 25.0967 171.8641 572 G 4.0348 8.6946 106.1426 45.7329 0.0000 173.8212 573 K 4.5430 8.0491 119.5571 54.1065 34.6651 174.9906 574 A 4.5634 8.4569 124.9006 51.6146 19.2558 176.8158 575 K 4.2946 8.5837 122.1694 54.7911 35.4392 175.4818 576 H 5.1697 8.4434 119.4993 54.0268 30.9994 171.9385 577 L 4.5061 8.9376 123.9881 53.4190 43.0616 176.5871 578 R 4.4681 8.7613 123.8486 56.2984 31.1133 176.1636 579 L 4.7625 9.1684 124.8731 53.2288 43.5328 175.7637 580 S 4.8278 8.8907 121.9294 57.9562 63.8453 173.7773 581 L 5.8739 8.4095 124.5147 52.2177 44.5793 175.6454 582 N 4.9433 8.4350 118.0246 50.4689 40.1052 175.2727 583 A 3.9326 8.6549 120.3407 55.4072 18.2778 178.7809 584 A 4.0621 7.9317 116.3447 53.5836 18.6584 178.2666 585 G 4.0225 8.4317 105.1861 44.6411 0.0000 173.7561 586 Q 4.4468 8.2199 119.0239 55.6783 30.2552 174.9221 587 C 5.3635 9.2361 124.5397 58.2985 35.1176 173.4241 588 R 5.3994 9.1551 125.9063 54.9860 33.1044 172.7644 589 V 4.3736 8.3784 122.9936 61.6224 34.1524 175.4110 590 Q 3.7819 9.9050 128.0206 57.3579 27.0462 174.3151 *591 H 5.0102 8.8487 115.8447 54.6816 30.6950 175.4488 592 L 4.7137 8.2892 119.8240 53.7293 44.6305 175.2274 593 H 5.0925 8.1568 121.1198 54.2419 31.8682 173.3473 594 F 4.8227 8.8841 127.0324 56.1702 42.3060 176.7000 595 Q 4.0861 8.6281 120.1338 56.8864 28.6247 176.6799 596 S 5.0392 7.2087 110.8758 58.2132 66.3201 176.7765 597 I 3.6199 7.9360 122.5326 64.1947 36.7744 178.4032 598 F 3.6832 8.0795 121.1471 61.3443 39.2676 176.8153 599 D 4.1177 8.0234 118.2629 57.1824 40.5793 178.3502 600 M 2.0000 7.2942 118.5739 57.8019 31.7017 178.2670 601 L 3.4107 7.1437 118.9220 57.7152 41.4806 179.3267 602 E 3.6111 7.1177 116.9818 59.4077 29.4412 178.8731 603 H 4.1688 7.5776 118.1167 59.2105 30.0210 176.9486 604 F 5.2869 7.3436 118.6534 58.2981 38.4457 176.7575 605 R 4.2937 7.3579 117.9551 57.5608 30.1174 176.7789 606 V 4.3056 7.6135 108.4271 60.9214 34.4660 175.0237 607 H 4.9191 8.2066 117.7211 52.5577 31.0013 171.8869 608 P 4.6934 0.0000 0.0000 62.8439 31.6675 175.9455 609 I 3.3525 8.0080 123.0729 59.9618 37.5087 175.8848 610 P 4.2809 0.0000 0.0000 63.5732 28.3659 174.2042 *618 D 4.6539 7.8984 122.7714 54.7280 41.6237 175.8078 619 V 4.6224 8.0170 122.3971 59.8640 34.5703 173.3081 620 V 4.7219 8.1817 116.1780 59.0197 35.5955 175.4000 621 L 4.0468 8.4616 124.0761 55.2558 41.6549 176.8132 622 V 4.2756 8.5719 125.0246 64.2234 31.9379 175.7051 623 S 4.8570 7.8870 113.6013 57.0936 66.4116 171.8342 624 Y 4.3017 7.6159 119.1195 55.4047 40.1959 174.8646 625 V 4.2143 8.3025 121.8102 61.0568 32.2894 174.0557 626 P 4.8001 0.0000 0.0000 62.8761 32.0032 176.6501 627 S 3.9668 8.6269 118.4545 58.8481 62.6387 174.0636 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 518 S 8.43 4.41 0.00 3.65 3.72 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 0.00 519 D 8.60 4.49 0.00 2.76 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 0.00 520 Q 8.58 4.12 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 521 P 0.00 4.38 0.00 2.06 1.93 0.00 3.40 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 522 L 8.64 3.97 0.00 1.45 1.08 0.82 0.43 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 0.00 523 S 7.90 4.50 0.00 4.06 4.06 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 0.00 524 G 8.05 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.27 3.98 0.00 1.98 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 0.00 526 P 0.00 4.16 0.00 1.89 2.18 0.00 3.36 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 527 W 6.98 4.43 0.00 3.48 2.57 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 0.00 0.00 0.00 0.00 528 F 7.47 5.31 0.00 2.40 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 0.00 529 H 8.63 4.53 0.00 2.97 3.21 0.00 5.82 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 0.00 530 G 5.73 3.39 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 0.00 531 M 8.53 4.40 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 532 L 7.96 4.76 0.00 1.48 1.44 0.92 0.95 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 0.00 533 S 8.40 4.34 0.00 4.08 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 0.00 534 R 8.47 3.78 0.00 1.80 1.90 0.00 3.06 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.15 0.00 535 L 7.78 3.92 0.00 1.78 1.64 0.92 0.78 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 0.00 536 K 8.36 4.22 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.32 7.81 537 A 8.29 3.96 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 0.00 538 A 8.27 3.93 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 0.00 539 Q 8.27 3.95 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 540 L 7.93 4.00 0.00 2.04 1.71 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 541 V 7.51 3.86 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 0.80 0.00 0.00 1.02 0.00 0.00 542 L 8.24 4.53 0.00 1.77 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 543 E 7.32 4.20 0.00 2.03 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 2.26 2.13 0.00 544 G 9.20 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 0.00 0.00 0.00 545 G 8.43 4.05 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 0.00 0.00 0.00 546 T 8.52 3.90 4.20 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 1.13 0.00 0.00 547 G 7.65 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 0.00 548 S 8.09 4.68 0.00 4.04 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 0.00 549 H 7.77 4.37 0.00 3.21 3.24 0.00 5.94 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 0.00 550 G 9.35 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 0.00 551 V 7.82 4.44 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 1.06 0.00 0.00 0.97 0.00 0.00 552 F 8.75 5.82 0.00 3.42 3.22 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 0.00 553 L 8.91 4.83 0.00 1.78 1.76 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 554 V 9.00 5.34 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 1.45 0.00 0.00 1.14 0.00 0.00 555 R 8.90 4.70 0.00 1.96 1.90 0.00 3.03 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 556 Q 8.95 4.71 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.89 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 557 S 8.65 4.26 0.00 3.90 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 0.00 558 E 8.74 4.31 0.00 2.03 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 2.21 1.86 0.00 559 T 7.87 4.45 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 0.00 560 R 8.07 4.40 0.00 1.86 1.98 0.00 3.31 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.89 0.00 561 R 8.33 4.17 0.00 1.82 1.90 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 562 G 9.34 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 0.00 563 E 8.08 5.22 0.00 1.98 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 2.25 2.28 0.00 564 C 8.81 5.50 0.00 3.00 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 0.00 565 V 9.13 4.90 2.16 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 1.03 0.00 0.00 0.99 0.00 0.00 566 L 9.34 5.09 0.00 1.84 1.69 0.93 0.59 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 0.00 567 T 8.79 5.12 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 1.24 0.00 0.00 568 F 8.59 5.38 0.00 3.35 3.21 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 0.00 569 N 9.39 5.06 0.00 3.02 2.96 0.00 0.00 7.00 8.39 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 0.00 570 F 9.59 5.02 0.00 3.19 2.87 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 0.00 571 Q 9.74 3.15 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 572 G 8.69 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 0.00 573 K 8.05 4.54 0.00 1.97 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 574 A 8.46 4.56 1.15 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 0.00 575 K 8.58 4.29 0.00 0.79 1.05 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.54 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.04 1.08 7.81 576 H 8.44 5.17 0.00 2.97 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 L 8.94 4.51 0.00 1.74 1.68 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 578 R 8.76 4.47 0.00 1.74 1.92 0.00 3.20 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 579 L 9.17 4.76 0.00 1.71 1.68 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 580 S 8.89 4.83 0.00 3.85 3.83 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 0.00 581 L 8.41 5.87 0.00 1.77 1.59 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 582 N 8.44 4.94 0.00 2.94 2.96 0.00 0.00 5.94 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 0.00 583 A 8.65 3.93 1.32 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 0.00 0.00 0.00 584 A 7.93 4.06 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 0.00 585 G 8.43 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 0.00 0.00 0.00 586 Q 8.22 4.45 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 587 C 9.24 5.36 0.00 2.98 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 0.00 588 R 9.16 5.40 0.00 1.48 1.73 0.00 3.26 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 589 V 8.38 4.37 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 1.18 0.00 0.00 1.11 0.00 0.00 590 Q 9.91 3.78 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.55 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 *591 H 8.85 5.01 0.00 2.86 2.84 0.00 7.14 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 L 8.29 4.71 0.00 1.70 1.06 1.17 0.74 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 0.00 593 H 8.16 5.09 0.00 2.90 2.99 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 F 8.88 4.82 0.00 2.98 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 0.00 595 Q 8.63 4.09 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 596 S 7.21 5.04 0.00 4.02 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 0.00 597 I 7.94 3.62 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.59 0.83 0.00 0.00 598 F 8.08 3.68 0.00 3.05 3.02 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 0.00 599 D 8.02 4.12 0.00 2.88 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 0.00 600 M 7.29 2.00 0.00 1.67 1.34 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.49 0.00 601 L 7.14 3.41 0.00 1.08 1.02 -0.63 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 602 E 7.12 3.61 0.00 1.65 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 1.47 1.99 0.00 603 H 7.58 4.17 0.00 3.08 2.66 0.00 5.78 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 0.00 604 F 7.34 5.29 0.00 2.78 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 0.00 605 R 7.36 4.29 0.00 1.91 1.85 0.00 3.06 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 606 V 7.61 4.31 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 0.74 0.00 0.00 0.89 0.00 0.00 607 H 8.21 4.92 0.00 3.22 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 P 0.00 4.69 0.00 2.17 2.06 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 609 I 8.01 3.35 1.45 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.08 0.35 0.00 0.00 610 P 0.00 4.28 0.00 2.16 2.10 0.00 3.38 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 *618 D 7.90 4.65 0.00 2.51 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 0.00 619 V 8.02 4.62 2.48 0.00 0.00 0.00 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 0.86 0.00 0.00 620 V 8.18 4.72 2.11 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 0.75 0.00 0.00 0.91 0.00 0.00 621 L 8.46 4.05 0.00 1.28 1.08 -0.02 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 622 V 8.57 4.28 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 0.80 0.00 0.00 1.06 0.00 0.00 623 S 7.89 4.86 0.00 3.67 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 0.00 624 Y 7.62 4.30 0.00 2.55 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 0.00 0.00 0.00 625 V 8.30 4.21 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 0.85 0.00 0.00 0.93 0.00 0.00 626 P 0.00 4.80 0.00 2.20 2.22 0.00 3.87 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 2.04 2.04 0.00 627 S 8.63 3.97 0.00 3.76 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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.