NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 P 4.3695 0.0000 0.0000 61.2451 33.3656 175.8773 547 R 4.3236 7.2771 118.3297 56.6626 32.2311 172.9400 548 P 4.4399 0.0000 0.0000 63.0595 33.4156 174.1041 549 R 5.1963 8.7662 124.2227 54.9352 32.4768 174.5065 550 I 4.8888 9.0221 127.1135 59.5343 39.9866 174.3326 551 L 4.3635 8.2985 129.1551 53.5794 42.7079 175.8095 552 I 4.2130 8.4485 128.9991 59.7334 38.1941 175.3808 553 C 4.7384 8.6398 129.2482 57.6862 33.1649 172.0442 554 E 4.7789 8.9675 127.4590 54.5909 32.3147 175.7822 555 D 4.2478 8.7977 126.8123 56.7492 41.7606 176.2436 556 D 4.6015 9.0636 120.0160 52.5114 41.9912 174.6032 557 P 4.2333 0.0000 0.0000 65.9786 31.3778 178.1297 558 D 4.3677 8.0933 117.0065 57.6853 40.7287 179.1495 559 I 3.7102 7.9317 119.4204 64.0609 37.0585 178.2036 560 A 3.9548 8.3644 122.2057 55.2393 18.1691 179.7267 561 R 3.8160 8.1337 117.2628 59.2226 29.9007 178.3997 562 L 3.9338 7.8155 119.4948 58.1390 42.1903 178.6498 563 L 4.1016 7.9728 117.8453 57.7745 41.9038 178.4938 564 N 4.5719 8.1893 118.3824 56.0069 38.9236 177.4176 565 L 4.3796 8.0504 118.1567 55.3394 41.5327 178.9630 *567 L 4.4053 7.8899 121.2913 54.9434 43.9441 178.9065 568 E 4.3778 8.0668 118.1219 58.6772 29.7417 178.9857 569 K 3.9702 7.9450 116.8356 59.3844 32.1237 178.0023 570 G 3.8460 8.0317 104.9013 45.7056 0.0000 174.0917 571 G 3.7544 8.5065 108.3669 44.8141 0.0000 172.7492 572 F 5.2971 8.4527 118.6881 55.6786 41.7360 175.0984 573 D 5.0900 8.8286 122.7441 54.1128 42.4554 175.4589 574 S 5.0558 8.2441 112.7632 58.1912 66.2066 173.5482 575 D 5.6272 8.4626 121.3138 53.2095 44.5672 175.4406 *577 V 4.1574 8.2563 112.1390 62.4083 33.3832 175.9480 578 H 5.5856 9.2294 116.7636 54.4389 28.9773 174.3113 579 S 4.5873 7.3643 113.8630 56.2926 66.7358 174.7020 580 A 3.8904 8.7969 124.0660 55.1652 18.1054 179.8462 581 A 3.8882 8.0460 118.6911 55.5826 18.4565 179.8727 582 Q 3.8928 7.9343 116.0725 58.9656 28.6387 179.0926 583 A 3.8863 8.0447 121.8505 55.0927 18.2118 179.6477 584 L 3.8809 7.9042 116.6366 57.8025 41.4571 179.1849 585 E 4.0404 8.2567 119.1375 59.4956 29.8305 178.6908 586 Q 4.0911 8.4450 120.2131 59.0905 28.8885 178.5228 587 V 3.8651 7.9623 119.3749 64.5199 31.2670 177.6878 588 A 4.2919 7.8048 120.0111 54.1315 18.4429 179.4605 589 R 3.8062 7.7946 115.5347 58.6488 30.3156 176.3472 590 R 4.3419 6.9116 111.9853 54.5210 32.2537 172.4893 591 P 4.3481 0.0000 0.0000 62.4855 31.8133 175.8691 592 Y 4.8446 8.1977 119.5458 56.0484 41.2006 175.7203 593 A 4.2136 9.1776 127.4781 55.0908 19.5663 177.3514 594 A 5.0032 7.7069 117.1410 52.8465 24.7651 175.1186 *596 T 4.3302 8.2220 103.5444 62.1352 70.7949 173.6091 597 V 4.3508 8.4399 124.3991 60.9887 34.5774 173.6077 598 D 5.2840 8.2701 127.5945 53.0520 41.4555 176.3678 599 L 4.0551 8.7252 125.9016 57.1559 42.8197 176.9748 600 N 5.1519 8.1298 117.9646 51.6488 36.9866 174.1994 601 L 4.5892 7.4363 120.0676 52.0959 43.4035 174.4879 602 P 4.2304 0.0000 0.0000 65.6019 31.7949 178.0743 603 D 4.2658 7.7629 120.6210 53.6210 39.3471 176.5386 604 Q 4.5336 7.1737 117.9952 53.4137 31.5483 176.2577 605 D 4.7127 8.3257 121.6526 52.7021 41.7772 177.5835 606 G 3.6702 8.5703 107.1649 48.2832 0.0000 176.2104 607 V 3.5356 7.6042 119.9629 65.4962 31.5119 177.9411 608 S 3.9837 8.1889 113.1961 61.0109 62.2333 175.8546 609 L 3.8754 7.7147 122.7148 58.3195 41.8717 179.0339 610 I 3.6638 7.7804 119.7160 64.3368 36.8528 178.6503 611 R 3.8729 8.1539 118.7336 59.2378 29.6981 178.9136 612 A 3.9905 7.7449 119.2508 55.2395 18.4225 179.3990 613 L 4.0690 7.9958 117.4460 57.9453 41.4577 179.8576 614 R 4.0269 7.8574 116.9199 58.4644 30.1191 178.2240 615 R 4.3389 7.5217 116.0215 55.4352 30.6892 175.3519 616 D 4.9120 7.3598 120.3743 51.8562 43.3069 176.6006 617 S 4.1603 8.9214 121.8189 61.5390 62.8194 176.3309 618 R 4.2592 8.2554 115.4242 57.5134 29.2930 176.8656 619 T 4.6175 8.0334 107.9124 61.1836 69.6070 175.7222 620 R 3.9212 7.7987 122.5980 59.0296 30.1726 176.8830 621 D 4.8277 7.8811 115.2489 53.6228 41.2093 175.4292 622 L 4.1056 7.4770 122.0079 54.1446 42.6725 176.6818 623 A 4.1391 8.5652 129.4217 52.3714 19.2497 175.7593 624 I 4.7834 8.1019 121.9497 59.3259 41.4845 174.4346 625 V 4.5087 8.0603 125.5041 60.9241 34.4537 174.2271 626 V 4.1089 8.1037 128.4478 62.2511 33.0889 174.9466 627 V 4.6742 8.7111 127.2365 61.7330 34.1371 173.8412 628 S 4.8124 9.0075 121.3908 57.0135 65.8019 175.1143 629 A 4.0561 8.8851 127.1602 54.8529 18.8319 178.7093 630 N 5.0976 7.8499 112.9555 52.9608 39.4473 177.0910 631 A 4.2422 8.1641 122.1983 55.3363 18.8502 179.2452 632 R 3.7711 8.0132 116.9366 59.6827 30.2169 178.4969 633 E 4.0128 8.2077 116.7954 59.0803 29.5373 179.0974 634 G 3.7525 7.9670 106.9087 47.5168 0.0000 175.4868 635 E 2.0000 7.8169 121.7261 58.2626 29.2818 178.6339 636 L 3.7158 7.3694 119.0303 57.7956 42.0855 178.0071 637 E 3.8158 7.4012 117.9044 57.4802 29.8085 176.7420 638 F 4.9404 7.6440 114.4642 56.9527 41.2674 175.3076 639 N 4.6138 7.6867 119.6235 54.1845 39.4576 173.8571 640 S 4.6688 8.4264 115.9378 57.5621 65.6967 176.3489 641 Q 4.0704 8.7582 121.4279 58.9452 28.6737 177.7095 642 P 4.3060 0.0000 0.0000 65.3986 31.5752 177.4996 643 L 3.9716 7.9596 118.8181 56.1495 42.2172 176.4977 644 A 3.7742 7.5307 119.6041 52.7252 16.5865 177.3365 645 V 3.9575 7.7973 119.4616 61.6490 32.5462 175.9143 646 S 4.4040 8.4651 122.1654 61.5816 63.1976 175.1510 647 T 4.8265 7.5956 114.1872 61.9288 73.1652 172.9829 648 W 4.9366 9.1149 124.9368 55.3054 30.7891 175.0114 649 L 4.7919 9.2306 126.2323 53.1168 43.5875 176.7521 650 E 5.3751 8.6489 122.2692 54.8735 31.4935 175.2886 651 K 4.8976 8.2693 119.6041 53.6264 34.8914 175.0150 652 P 4.3047 0.0000 0.0000 62.7989 31.7222 176.1557 653 I 3.8411 8.1785 122.6806 61.2998 37.6311 175.9475 654 D 4.5735 8.5665 124.8405 52.9860 41.3370 176.0864 655 E 3.9186 8.7184 128.4958 59.5581 29.6191 178.2547 656 N 4.3482 8.1802 115.7198 56.3811 38.6996 177.0651 657 L 3.9734 8.3390 121.6715 57.7217 42.1280 178.7479 658 L 3.8915 8.1315 120.7771 58.2496 42.1177 179.1095 659 I 3.7636 7.7955 119.6705 64.1538 36.9698 178.1141 660 L 4.0073 8.1004 121.2325 58.4201 41.9352 179.1056 661 S 4.1398 8.4645 115.3492 61.7160 62.7001 176.8209 662 L 3.8983 7.9770 121.4471 57.9951 41.3310 179.2376 663 H 4.4102 8.3113 116.0853 59.0354 28.6147 177.8850 664 R 3.9295 8.3775 119.7492 59.3474 29.7567 178.8017 665 A 3.9966 8.3700 119.2111 55.3666 18.4354 179.4582 666 I 3.8373 7.8639 117.1487 64.8257 37.3275 178.2532 667 D 4.5767 8.0146 118.2823 56.9718 40.6285 177.9023 668 N 4.5308 8.1849 115.8332 53.9299 39.2723 174.5639 *670 A 4.1222 8.0474 127.0464 51.9301 19.0603 177.3630 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 546 P 0.00 4.37 0.00 2.16 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 547 R 7.28 4.32 0.00 1.72 1.75 0.00 3.32 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 548 P 0.00 4.44 0.00 2.53 2.16 0.00 3.70 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 2.08 2.13 0.00 549 R 8.77 5.20 0.00 1.92 1.78 0.00 2.95 0.00 0.00 3.69 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 550 I 9.02 4.89 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.53 0.78 0.00 0.00 551 L 8.30 4.36 0.00 0.27 0.98 0.64 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 552 I 8.45 4.21 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.58 0.86 0.00 0.00 553 C 8.64 4.74 0.00 2.89 2.85 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 0.00 554 E 8.97 4.78 0.00 2.04 1.68 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 2.26 2.47 0.00 555 D 8.80 4.25 0.00 2.64 2.79 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 0.00 0.00 0.00 0.00 556 D 9.06 4.60 0.00 2.70 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 0.00 557 P 0.00 4.23 0.00 2.18 2.09 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 558 D 8.09 4.37 0.00 2.90 2.72 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 0.00 559 I 7.93 3.71 1.96 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 1.57 0.96 0.95 0.00 0.00 560 A 8.36 3.95 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 0.00 561 R 8.13 3.82 0.00 1.94 2.09 0.00 3.16 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 562 L 7.82 3.93 0.00 1.75 1.87 0.92 0.97 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 0.00 563 L 7.97 4.10 0.00 1.77 1.68 0.88 0.87 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 0.00 564 N 8.19 4.57 0.00 2.86 3.01 0.00 0.00 6.77 6.86 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 0.00 565 L 8.05 4.38 0.00 1.84 1.67 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *567 L 7.89 4.41 0.00 1.98 1.87 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 568 E 8.07 4.38 0.00 2.13 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 0.00 2.33 2.28 0.00 569 K 7.95 3.97 0.00 1.86 1.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.56 7.81 570 G 8.03 3.85 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 0.00 571 G 8.51 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 0.00 572 F 8.45 5.30 0.00 3.09 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 0.00 573 D 8.83 5.09 0.00 2.71 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 0.00 574 S 8.24 5.06 0.00 3.95 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 0.00 575 D 8.46 5.63 0.00 2.66 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 *577 V 8.26 4.16 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 0.68 0.00 0.00 0.90 0.00 0.00 578 H 9.23 5.59 0.00 3.15 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 S 7.36 4.59 0.00 4.32 3.95 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 0.00 580 A 8.80 3.89 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 0.00 581 A 8.05 3.89 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 0.00 582 Q 7.93 3.89 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 583 A 8.04 3.89 1.28 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 0.00 0.00 0.00 584 L 7.90 3.88 0.00 1.74 1.73 0.89 1.01 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 0.00 585 E 8.26 4.04 0.00 2.03 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 0.00 2.31 2.31 0.00 586 Q 8.45 4.09 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 587 V 7.96 3.87 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 0.87 0.00 0.00 0.99 0.00 0.00 588 A 7.80 4.29 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 0.00 589 R 7.79 3.81 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.56 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 590 R 6.91 4.34 0.00 1.52 1.74 0.00 2.98 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.00 591 P 0.00 4.35 0.00 1.95 1.96 0.00 3.44 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 592 Y 8.20 4.84 0.00 2.93 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 0.00 593 A 9.18 4.21 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 0.00 594 A 7.71 5.00 1.11 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 *596 T 8.22 4.33 4.13 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 0.00 0.00 0.00 1.07 0.00 0.00 597 V 8.44 4.35 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 0.91 0.00 0.00 0.79 0.00 0.00 598 D 8.27 5.28 0.00 2.85 2.52 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 0.00 599 L 8.73 4.06 0.00 1.80 1.77 0.95 0.63 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 0.00 600 N 8.13 5.15 0.00 2.74 2.79 0.00 0.00 6.98 7.89 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 0.00 601 L 7.44 4.59 0.00 1.86 1.56 0.96 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 0.00 602 P 0.00 4.23 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 603 D 7.76 4.27 0.00 2.77 2.63 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 0.00 604 Q 7.17 4.53 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 605 D 8.33 4.71 0.00 3.02 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 0.00 606 G 8.57 3.67 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 0.00 0.00 0.00 607 V 7.60 3.54 1.63 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 0.77 0.00 0.00 0.81 0.00 0.00 608 S 8.19 3.98 0.00 3.91 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 0.00 609 L 7.71 3.88 0.00 1.78 1.78 0.86 0.86 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 0.00 610 I 7.78 3.66 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.43 0.84 0.00 0.00 611 R 8.15 3.87 0.00 1.98 1.96 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 612 A 7.74 3.99 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 0.00 613 L 8.00 4.07 0.00 1.84 1.70 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 614 R 7.86 4.03 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 615 R 7.52 4.34 0.00 1.85 1.96 0.00 3.11 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 616 D 7.36 4.91 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.92 4.16 0.00 4.04 4.13 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 0.00 0.00 0.00 0.00 618 R 8.26 4.26 0.00 1.97 2.10 0.00 3.01 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.57 0.00 619 T 8.03 4.62 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 1.22 0.00 0.00 620 R 7.80 3.92 0.00 2.03 2.00 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 621 D 7.88 4.83 0.00 2.69 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 0.00 622 L 7.48 4.11 0.00 1.61 1.71 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 623 A 8.57 4.14 1.27 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 0.00 624 I 8.10 4.78 1.74 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 1.13 0.93 0.71 0.00 0.00 625 V 8.06 4.51 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 0.98 0.00 0.00 0.84 0.00 0.00 626 V 8.10 4.11 1.50 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 0.85 0.00 0.00 0.07 0.00 0.00 627 V 8.71 4.67 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 0.87 0.00 0.00 0.87 0.00 0.00 628 S 9.01 4.81 0.00 3.98 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 0.00 629 A 8.89 4.06 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 0.00 630 N 7.85 5.10 0.00 2.89 2.84 0.00 0.00 7.01 8.12 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 0.00 631 A 8.16 4.24 1.59 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 0.00 0.00 632 R 8.01 3.77 0.00 2.02 1.93 0.00 3.18 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 633 E 8.21 4.01 0.00 2.15 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 0.00 2.59 2.33 0.00 634 G 7.97 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 0.00 635 E 7.82 2.00 0.00 1.16 1.52 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 1.69 1.47 0.00 636 L 7.37 3.72 0.00 1.57 1.65 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 637 E 7.40 3.82 0.00 1.68 1.12 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 1.47 1.86 0.00 638 F 7.64 4.94 0.00 3.31 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 0.00 639 N 7.69 4.61 0.00 2.31 2.58 0.00 0.00 7.00 7.13 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 0.00 640 S 8.43 4.67 0.00 4.03 3.95 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 0.00 641 Q 8.76 4.07 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 642 P 0.00 4.31 0.00 2.07 2.14 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 643 L 7.96 3.97 0.00 1.77 1.95 0.97 1.23 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 0.00 644 A 7.53 3.77 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 0.00 645 V 7.80 3.96 1.71 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 1.03 0.00 0.00 -0.10 0.00 0.00 646 S 8.47 4.40 0.00 3.85 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 0.00 647 T 7.60 4.83 4.24 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 1.28 0.00 0.00 648 W 9.11 4.94 0.00 3.25 3.24 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 0.00 649 L 9.23 4.79 0.00 1.65 1.57 0.91 0.81 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 0.00 650 E 8.65 5.38 0.00 1.88 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 2.32 2.23 0.00 651 K 8.27 4.90 0.00 1.61 1.69 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 652 P 0.00 4.30 0.00 2.18 2.07 0.00 3.78 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 2.00 2.00 0.00 653 I 8.18 3.84 1.87 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 1.30 0.54 0.91 0.00 0.00 654 D 8.57 4.57 0.00 2.72 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 0.00 655 E 8.72 3.92 0.00 2.08 1.96 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 2.40 2.43 0.00 656 N 8.18 4.35 0.00 2.93 2.87 0.00 0.00 6.72 6.74 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 0.00 657 L 8.34 3.97 0.00 1.79 1.83 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 658 L 8.13 3.89 0.00 1.77 1.85 0.85 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 659 I 7.80 3.76 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.98 1.00 0.00 0.00 660 L 8.10 4.01 0.00 1.85 1.90 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 661 S 8.46 4.14 0.00 4.03 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 0.00 662 L 7.98 3.90 0.00 1.66 1.38 0.49 0.67 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 0.00 663 H 8.31 4.41 0.00 3.47 3.39 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 0.00 664 R 8.38 3.93 0.00 2.18 2.01 0.00 3.24 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 665 A 8.37 4.00 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 0.00 666 I 7.86 3.84 2.10 0.00 0.00 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 1.73 0.81 0.99 0.00 0.00 667 D 8.01 4.58 0.00 2.69 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 0.00 668 N 8.18 4.53 0.00 2.70 2.88 0.00 0.00 7.15 8.62 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 *670 A 8.05 4.12 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 * Residues marked with a * may have inaccurate shift predictions.