NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 4.1147 8.3549 109.7426 45.6991 0.0000 173.2023 -3 S 4.4609 8.5379 117.3398 59.1793 68.5975 172.7749 -2 H 4.6486 9.0131 117.6752 56.0116 30.4408 172.9997 -1 M 4.7926 8.0678 119.3785 53.8023 34.6231 175.1245 *527 G 4.0690 8.2123 105.2622 46.9226 0.0000 173.3220 528 T 4.2459 7.9883 116.6158 63.8427 69.6091 174.1680 529 V 4.2771 8.0545 116.8087 59.8770 36.4801 174.7322 530 S 4.8004 8.2352 113.4871 56.4290 62.2903 173.2744 531 W 4.9331 8.5713 126.9099 56.0612 31.8465 175.4359 532 N 5.0319 8.2807 117.4491 50.9573 40.4307 175.1793 533 L 4.0390 8.4313 120.7145 58.4905 41.8497 178.6266 534 R 3.9790 8.1241 117.2919 59.6989 29.9883 178.7440 535 E 3.7934 8.6517 117.9883 59.4003 29.3553 179.1651 536 M 4.3155 8.2953 118.8033 58.5687 32.1652 178.4854 537 L 4.0459 8.3171 120.1524 58.1309 42.3048 178.8226 538 A 3.9726 8.2846 120.8351 55.4296 18.3759 178.9527 539 H 3.9573 8.3837 116.6342 59.4083 29.8644 177.0541 540 A 3.9632 8.4102 122.8898 55.1830 17.9421 178.9366 541 E 3.7675 7.9405 116.3370 59.5269 29.7771 178.4691 542 E 4.0407 7.9118 117.8238 59.5254 29.9403 178.6032 543 T 3.9700 8.1257 107.6558 62.2393 69.0584 175.0874 544 R 3.7601 7.4648 118.2877 56.6954 28.6811 176.3325 545 K 4.2755 7.2880 115.8501 55.9173 33.0613 176.7874 546 L 4.3278 8.3733 124.2662 55.4282 43.8224 175.7637 547 M 5.0301 9.1112 123.4945 52.0530 34.9281 172.5183 548 P 5.2899 0.0000 0.0000 62.7478 33.2663 175.8361 549 I 4.6020 8.7985 121.8855 59.7111 41.4427 174.0420 550 C 3.4149 8.5375 127.8946 58.9665 31.4455 173.4077 551 M 3.8338 8.2370 127.8865 58.5954 31.5480 177.6581 552 D 4.3278 8.1801 116.8415 57.5597 41.6197 177.8932 553 V 3.9312 7.4614 119.7764 61.6375 28.8756 176.3604 554 R 3.9045 7.9686 121.8571 58.2732 30.4226 177.8597 555 A 3.9845 7.9650 120.5991 55.0576 18.3515 179.5372 556 I 3.8261 7.8597 118.3907 64.4762 37.2995 178.1933 557 M 3.9236 8.0248 118.8705 58.4394 31.7419 178.2767 558 A 3.9338 8.1810 120.8267 55.6161 18.5305 179.4862 559 T 3.8522 7.4081 113.1567 67.0844 68.6142 176.8433 560 I 4.0473 7.9049 121.1583 64.7463 36.8875 178.5643 561 Q 4.4617 8.5529 120.4435 58.2915 28.1981 179.2746 562 R 3.9588 8.0399 118.6567 59.3104 30.2520 178.6906 563 K 4.0522 7.5393 116.3965 58.6954 33.8987 177.6528 564 Y 4.7346 8.5676 120.5747 56.7759 36.5208 176.0013 565 K 4.3591 7.6518 124.0861 57.6702 33.2892 178.9852 566 G 3.5179 8.1159 106.3690 47.5127 0.0000 173.2039 567 I 3.5106 6.1814 120.9425 60.0183 38.4073 175.2985 568 K 4.1270 8.2990 127.5454 55.4767 32.7018 176.9699 569 I 3.3780 8.0901 124.7133 61.6784 37.4724 175.3874 570 Q 4.6108 8.1240 122.3325 53.7028 32.4650 174.7690 571 E 4.0329 8.5646 120.2770 57.2880 30.1431 176.3344 572 G 3.7311 8.4497 110.1037 43.6588 0.0000 172.2944 573 I 4.1334 8.5982 119.7777 62.1766 37.7670 176.8526 574 V 4.3638 8.7280 127.1558 60.8245 32.6241 172.3776 575 D 4.4387 8.6294 123.6815 53.8987 41.2280 174.9613 576 Y 4.4117 8.7228 127.7893 57.4417 39.5665 173.4682 577 G 3.9789 8.1928 119.1705 44.6346 0.0000 171.6861 578 V 4.0014 6.4282 118.4475 59.8942 34.0748 175.3736 579 R 4.0546 7.5714 126.5564 55.5575 28.6769 175.4330 580 F 4.8862 8.4644 122.5398 56.9425 41.2032 174.5345 581 F 5.2184 8.8358 122.4953 56.5911 40.6567 172.6226 582 F 5.0162 8.0859 123.0849 57.1925 40.3655 173.6379 583 Y 5.1378 8.6551 120.3386 55.6578 42.3712 173.6257 584 T 4.8175 8.4734 110.6554 60.3186 70.2277 176.0276 585 S 4.2821 8.7599 120.4557 60.3959 63.4590 175.5582 586 K 4.1244 7.9319 119.9565 58.8388 32.1503 177.4362 587 E 4.1565 7.8256 118.0229 55.3339 30.0817 175.6708 588 P 4.3369 0.0000 0.0000 62.7714 32.9638 177.5054 589 V 3.3252 8.4619 121.3708 66.3161 31.2756 177.7785 590 A 3.9791 8.1176 119.5236 55.5831 18.1326 179.3807 591 S 4.0446 7.9629 110.2626 61.6641 62.5988 176.3416 592 I 3.7716 7.9396 122.5614 64.2374 36.6973 178.4409 593 I 3.7073 7.9758 120.8849 64.8718 36.9770 178.2527 594 T 3.8458 7.9014 116.3483 67.1061 67.7738 176.5909 595 K 4.0215 8.1678 119.7245 58.9793 32.0119 179.3830 596 L 3.8032 7.3607 118.2476 57.3958 41.4026 178.9351 597 N 4.3236 8.0125 116.0468 56.0945 38.5076 177.0916 598 S 4.2431 7.9354 114.9237 61.7415 62.8360 176.4913 599 L 3.9851 7.3392 119.4375 55.1052 41.0494 178.0568 600 N 4.4153 7.7364 113.9767 53.9884 38.1818 173.4888 601 E 4.4001 7.3789 115.6270 55.2599 30.5450 175.0364 602 P 5.1909 0.0000 0.0000 62.5852 33.0011 175.0185 603 L 5.9402 8.6664 120.5445 52.0746 46.7938 175.4852 604 V 4.8340 7.9215 118.2932 61.2077 34.7833 174.2636 605 T 4.5432 8.5848 118.9752 61.9494 71.4344 171.6782 606 M 4.8318 8.5748 119.5849 53.0999 33.3903 174.3147 607 P 4.4111 0.0000 0.0000 62.7666 32.0956 177.1967 608 I 4.0496 8.6244 123.4268 63.7238 37.6716 177.0477 609 G 3.7550 7.8246 110.7890 43.5228 0.0000 171.5986 610 Y 5.3497 8.0468 132.0263 57.3935 40.0480 178.0036 611 V 3.2703 7.4994 114.0362 66.0908 31.5430 177.9934 612 T 3.9976 7.9195 107.1144 63.7935 68.5002 173.8694 613 H 4.5004 8.3893 117.4619 54.5822 30.5732 173.6371 614 G 3.9783 8.3227 107.2385 46.4472 0.0000 174.1170 615 F 4.9367 8.0677 117.2622 56.1607 40.5417 175.9769 616 N 4.9711 8.4226 120.6812 52.3821 39.7975 176.0502 617 L 4.0441 8.7128 122.6580 58.0871 42.1419 178.9157 618 E 3.2170 8.0437 118.9645 59.1381 29.7466 178.2293 619 E 3.7755 8.0908 117.8484 59.2857 29.4152 178.9777 620 A 4.9866 8.9290 122.1629 54.8264 18.5381 179.4448 621 A 3.8969 8.1212 118.8437 55.3916 18.2232 179.7003 622 R 3.8067 7.7450 115.0983 59.9183 30.0004 178.5556 623 C 4.3154 8.7242 118.6482 62.5195 31.5793 175.0647 624 M 4.3039 8.3506 117.8143 57.2786 30.9185 178.4952 625 R 3.9354 7.8873 118.9819 59.1910 30.2754 177.7991 626 S 4.2606 7.5349 112.2263 59.8261 62.9928 174.4124 627 L 4.3284 7.7764 123.4295 55.0216 42.2231 176.4970 628 K 4.4694 9.3875 123.0613 55.8998 33.2597 175.6273 629 A 4.8577 7.6772 120.7612 49.4339 21.6076 175.0659 630 P 4.6034 0.0000 0.0000 62.2232 32.5332 174.9513 631 A 5.1544 8.3469 125.3953 49.7633 22.7909 175.1057 632 V 3.8988 8.7138 120.6560 62.6022 33.0117 175.6311 633 V 4.8948 8.0713 126.3352 60.6382 34.7313 173.4329 634 S 5.2084 7.9223 117.0274 55.6750 66.0951 171.8218 635 V 4.4439 7.7225 113.3268 60.3063 35.3467 175.4531 636 S 4.4928 8.8411 115.9492 59.9800 63.2827 174.4766 637 S 4.6952 7.4124 113.8272 55.1801 65.4436 173.6931 638 P 4.3513 0.0000 0.0000 65.7385 30.0654 178.4457 639 D 4.4097 8.1295 117.6836 56.6432 40.7686 177.8843 640 A 4.1137 7.8712 120.6573 53.8365 18.3538 179.6357 641 V 3.4498 7.5565 117.5648 66.5180 31.6723 178.1452 642 T 3.8096 7.8368 114.8367 66.8532 68.0490 176.4646 643 T 3.5533 7.0514 117.0884 66.7763 68.9427 175.6395 644 Y 3.8754 7.9845 121.1644 60.6976 38.8563 177.8459 645 N 4.3447 8.6420 117.9279 56.0981 38.7351 177.2548 646 G 3.7424 7.8471 107.1943 48.4635 0.0000 175.2640 647 Y 4.3608 6.7846 117.3693 60.4944 37.9417 177.9868 648 L 4.0225 7.4364 118.7296 57.4021 41.7550 179.0808 649 T 3.9134 7.8579 113.0224 64.3874 68.7849 174.6802 650 S 3.5433 8.2518 110.9593 60.4872 61.8927 172.1683 651 S 4.0166 8.0234 121.2734 59.8831 62.8350 172.5095 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 -4 G 8.35 4.11 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 0.00 0.00 0.00 -3 S 8.54 4.46 0.00 3.90 3.86 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 -2 H 9.01 4.65 0.00 3.19 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 8.07 4.79 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 *527 G 8.21 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 0.00 0.00 0.00 528 T 7.99 4.25 4.28 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 0.91 0.00 0.00 529 V 8.05 4.28 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -0.83 0.00 0.00 530 S 8.24 4.80 0.00 3.87 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 0.00 531 W 8.57 4.93 0.00 3.30 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 0.00 532 N 8.28 5.03 0.00 2.95 3.02 0.00 0.00 5.57 6.69 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 0.00 533 L 8.43 4.04 0.00 1.77 1.79 1.04 0.98 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 0.00 534 R 8.12 3.98 0.00 2.08 1.99 0.00 3.19 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 535 E 8.65 3.79 0.00 2.15 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 2.25 2.38 0.00 536 M 8.30 4.32 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.86 0.00 537 L 8.32 4.05 0.00 2.17 1.81 1.22 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 538 A 8.28 3.97 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 0.00 539 H 8.38 3.96 0.00 3.15 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 A 8.41 3.96 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 541 E 7.94 3.77 0.00 2.22 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 2.32 2.39 0.00 542 E 7.91 4.04 0.00 1.97 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 2.28 2.28 0.00 543 T 8.13 3.97 4.17 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 1.02 0.00 0.00 544 R 7.46 3.76 0.00 1.88 2.01 0.00 3.37 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 545 K 7.29 4.28 0.00 1.68 1.90 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.55 7.81 546 L 8.37 4.33 0.00 1.70 1.60 0.75 0.89 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 0.00 547 M 9.11 5.03 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.47 0.00 548 P 0.00 5.29 0.00 2.47 2.38 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 549 I 8.80 4.60 1.92 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 1.11 0.69 0.99 0.00 0.00 550 C 8.54 3.41 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.24 3.83 0.00 1.79 1.97 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.35 0.00 552 D 8.18 4.33 0.00 2.50 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.93 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 1.04 0.00 0.00 0.90 0.00 0.00 554 R 7.97 3.90 0.00 1.84 1.92 0.00 3.13 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 555 A 7.96 3.98 1.31 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 0.00 556 I 7.86 3.83 2.00 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 1.56 0.73 0.95 0.00 0.00 557 M 8.02 3.92 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.46 0.00 558 A 8.18 3.93 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 0.00 0.00 0.00 0.00 0.00 559 T 7.41 3.85 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 560 I 7.90 4.05 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.70 0.62 0.00 0.00 561 Q 8.55 4.46 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 562 R 8.04 3.96 0.00 2.02 2.00 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 563 K 7.54 4.05 0.00 1.79 1.60 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.51 7.81 564 Y 8.57 4.73 0.00 3.30 3.38 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 0.00 565 K 7.65 4.36 0.00 1.92 1.82 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.38 7.81 566 G 8.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.18 3.51 0.81 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 1.22 1.22 0.97 0.00 0.00 568 K 8.30 4.13 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.38 7.81 569 I 8.09 3.38 1.53 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.26 0.03 0.00 0.00 570 Q 8.12 4.61 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 571 E 8.56 4.03 0.00 1.94 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 2.28 2.25 0.00 572 G 8.45 3.73 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 0.00 0.00 0.00 573 I 8.60 4.13 2.01 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 1.54 0.91 0.99 0.00 0.00 574 V 8.73 4.36 2.37 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 1.16 0.00 0.00 1.27 0.00 0.00 575 D 8.63 4.44 0.00 2.75 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 0.00 576 Y 8.72 4.41 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 0.00 577 G 8.19 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 0.00 0.00 0.00 578 V 6.43 4.00 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 0.00 0.00 0.11 0.00 0.00 0.86 0.00 0.00 579 R 7.57 4.05 0.00 1.80 1.66 0.00 3.17 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 580 F 8.46 4.89 0.00 2.83 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 0.00 0.00 0.00 581 F 8.84 5.22 0.00 3.02 2.93 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 0.00 582 F 8.09 5.02 0.00 3.08 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 0.00 583 Y 8.66 5.14 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.82 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 1.20 0.00 0.00 585 S 8.76 4.28 0.00 3.97 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 0.00 586 K 7.93 4.12 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.39 7.81 587 E 7.83 4.16 0.00 2.25 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 2.40 2.37 0.00 588 P 0.00 4.34 0.00 2.25 2.03 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 589 V 8.46 3.33 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 1.08 0.00 0.00 0.03 0.00 0.00 590 A 8.12 3.98 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 0.00 591 S 7.96 4.04 0.00 3.92 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 0.00 592 I 7.94 3.77 1.99 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 1.56 1.25 0.53 0.00 0.00 593 I 7.98 3.71 2.10 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 1.49 0.58 0.89 0.00 0.00 594 T 7.90 3.85 4.39 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 1.21 0.00 0.00 595 K 8.17 4.02 0.00 2.14 2.02 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.53 7.81 596 L 7.36 3.80 0.00 1.78 1.55 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 597 N 8.01 4.32 0.00 2.81 2.85 0.00 0.00 7.04 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 0.00 598 S 7.94 4.24 0.00 3.99 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 0.00 599 L 7.34 3.99 0.00 1.78 1.64 0.56 0.47 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 0.00 600 N 7.74 4.42 0.00 2.83 2.86 0.00 0.00 7.25 7.47 0.00 0.00 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 E 7.38 4.40 0.00 1.78 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 2.46 2.32 0.00 602 P 0.00 5.19 0.00 2.12 2.17 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 603 L 8.67 5.94 0.00 1.58 1.59 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 604 V 7.92 4.83 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 0.90 0.00 0.00 1.20 0.00 0.00 605 T 8.58 4.54 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 1.28 0.00 0.00 606 M 8.57 4.83 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 607 P 0.00 4.41 0.00 2.11 2.07 0.00 3.67 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 1.52 1.46 0.00 608 I 8.62 4.05 1.86 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 1.38 0.71 0.69 0.00 0.00 609 G 7.82 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 0.00 610 Y 8.05 5.35 0.00 3.01 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 0.00 611 V 7.50 3.27 1.82 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 0.91 0.00 0.00 0.06 0.00 0.00 612 T 7.92 4.00 4.31 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 1.24 0.00 0.00 613 H 8.39 4.50 0.00 2.46 2.40 0.00 5.97 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 0.00 614 G 8.32 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 0.00 0.00 0.00 615 F 8.07 4.94 0.00 3.18 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 0.00 616 N 8.42 4.97 0.00 3.00 3.01 0.00 0.00 5.57 6.55 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 0.00 617 L 8.71 4.04 0.00 1.91 1.91 0.48 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 618 E 8.04 3.22 0.00 1.60 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 619 E 8.09 3.78 0.00 2.10 1.48 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 0.00 2.21 2.10 0.00 620 A 8.93 4.99 1.69 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 0.00 0.00 621 A 8.12 3.90 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 0.00 622 R 7.75 3.81 0.00 1.88 1.97 0.00 3.09 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 623 C 8.72 4.32 0.00 3.25 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 0.00 624 M 8.35 4.30 0.00 2.60 2.37 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.88 0.00 625 R 7.89 3.94 0.00 1.95 2.03 0.00 3.12 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 1.63 1.81 0.00 626 S 7.53 4.26 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 0.00 627 L 7.78 4.33 0.00 1.64 1.64 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 628 K 9.39 4.47 0.00 1.67 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.47 7.81 629 A 7.68 4.86 1.21 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 0.00 630 P 0.00 4.60 0.00 2.13 2.21 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 631 A 8.35 5.15 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 0.00 632 V 8.71 3.90 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 0.38 0.00 0.00 0.92 0.00 0.00 633 V 8.07 4.89 1.79 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 0.91 0.00 0.00 0.99 0.00 0.00 634 S 7.92 5.21 0.00 3.74 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 V 7.72 4.44 2.01 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 0.45 0.00 0.00 0.88 0.00 0.00 636 S 8.84 4.49 0.00 3.93 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 0.00 637 S 7.41 4.70 0.00 3.97 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 0.00 638 P 0.00 4.35 0.00 2.29 2.37 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 639 D 8.13 4.41 0.00 2.72 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 0.00 640 A 7.87 4.11 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 0.00 641 V 7.56 3.45 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 1.15 0.00 0.00 0.98 0.00 0.00 642 T 7.84 3.81 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 1.16 0.00 0.00 643 T 7.05 3.55 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 1.15 0.00 0.00 644 Y 7.98 3.88 0.00 2.95 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 0.00 645 N 8.64 4.34 0.00 2.83 2.79 0.00 0.00 6.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 G 7.85 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 0.00 0.00 0.00 647 Y 6.78 4.36 0.00 2.80 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 0.00 648 L 7.44 4.02 0.00 1.63 1.65 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 649 T 7.86 3.91 4.21 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 1.22 0.00 0.00 650 S 8.25 3.54 0.00 4.13 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 0.00 651 S 8.02 4.02 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.