NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 425 H 4.8289 8.4449 117.8461 56.1837 29.0267 172.2812 426 M 4.4377 8.1751 122.8795 54.0166 33.8788 173.9886 427 A 3.1748 8.5994 121.1583 52.9817 17.5866 178.2275 428 V 3.7400 7.6264 121.1014 63.2419 32.1256 174.9406 429 I 4.2874 8.2143 129.0963 60.9872 37.7314 175.2457 430 T 4.7562 8.4461 114.4375 58.7607 71.8937 173.1875 431 P 3.7496 0.0000 0.0000 64.6417 31.3461 178.0045 432 Q 4.4326 9.1226 114.9155 54.6261 29.4817 175.0777 433 G 4.3384 6.8124 106.1557 43.2725 0.0000 172.3801 434 V 4.4974 7.8712 120.6264 61.7288 32.4939 175.1412 435 T 4.5905 8.8336 117.1349 60.3721 71.7889 173.1709 436 N 4.2624 8.6362 116.4219 53.4747 35.5855 176.1604 437 W 5.4673 7.6646 126.1191 56.0884 32.1240 173.9587 438 T 4.3924 8.7420 116.7122 60.0346 71.4500 174.8456 439 Y 3.7833 8.3020 121.6694 61.0195 38.7802 178.3021 440 Q 3.8129 7.8574 118.3506 58.7448 28.8304 178.4500 441 E 3.7422 7.7447 119.7137 59.0226 29.4743 179.0131 442 L 3.1725 6.5952 120.2485 57.7348 42.0036 178.5757 443 E 3.6156 7.7582 119.2099 59.2238 29.4978 178.7502 444 A 4.2525 7.5670 121.7771 54.8227 18.2936 179.7865 445 T 3.8716 7.9076 114.4908 66.9363 68.4935 176.3593 446 H 4.0787 8.7740 120.5362 59.4392 29.6022 177.3780 447 Q 3.9659 8.3155 119.6529 58.8725 28.4927 178.6186 448 A 4.0069 8.0803 121.8680 55.0834 18.3591 179.6377 449 L 3.9747 8.1329 117.7903 58.1661 41.5845 179.8686 450 T 4.0332 7.9611 115.7538 66.7557 68.2029 176.5948 451 R 3.9185 7.9608 119.3869 59.3940 30.1846 177.7555 452 E 4.2428 8.1113 116.1128 57.0308 29.7463 177.5721 453 G 3.7759 8.1424 108.2326 45.3672 0.0000 172.3194 454 Y 5.2596 7.7193 116.1020 56.1941 40.2925 175.4477 455 V 4.5994 8.9765 121.6431 60.7719 35.0134 174.5536 456 F 3.8707 8.9864 130.1780 58.4512 39.2872 174.8557 457 V 3.8665 8.8692 118.1750 59.8372 33.7411 175.8635 458 G 3.7581 5.3800 109.2833 44.8704 0.0000 170.2726 459 Y 5.1902 8.3716 117.6769 56.9550 40.2032 174.7982 460 H 5.1013 9.6428 123.5081 54.4710 32.4028 172.6301 461 G 4.4026 8.7331 113.5166 45.8139 0.0000 172.2069 462 T 4.9992 8.6716 117.7537 61.6799 71.6641 172.3134 463 N 5.0702 8.7255 119.8802 52.1360 38.5606 175.6310 464 H 4.3596 8.6485 114.2620 58.2652 28.5921 177.9608 465 V 3.4444 7.5692 120.7554 65.9887 31.5630 177.6664 466 A 4.0364 8.6202 120.5571 55.0104 18.0630 179.4680 467 A 3.9838 8.1180 119.4591 55.3931 18.4229 179.6271 468 Q 3.8811 7.9382 117.8560 59.5326 29.1294 178.4708 469 T 3.8574 7.8496 116.6550 66.8722 68.3033 176.6381 470 I 3.7840 7.7536 120.3575 64.3762 37.2098 178.3754 471 V 3.8645 7.8709 118.3221 65.8572 31.3500 177.6041 472 N 4.4486 8.1675 115.6433 54.2330 38.8464 175.4211 473 R 4.2906 7.1925 114.3898 55.4828 34.0974 173.8448 474 I 4.0876 8.1656 126.3402 60.9418 37.6480 174.8582 475 A 4.7861 8.2189 127.1320 49.4496 22.1772 173.7336 476 P 2.0000 0.0000 0.0000 61.6904 33.3051 175.9897 477 V 3.7578 6.9277 117.7187 61.6035 30.5626 180.0663 *483 T 4.1729 8.7055 119.9393 61.8983 70.9462 173.2017 484 E 3.9090 8.5824 121.4895 59.7979 29.6919 178.5962 485 N 4.4537 8.1683 116.3375 56.6123 38.9277 176.4873 486 E 4.1322 8.1834 119.2982 59.4222 29.9305 178.6216 487 E 4.1764 8.5299 119.4103 59.3572 29.8246 178.8886 488 K 3.8797 8.3164 118.6374 58.7151 31.7763 178.2921 489 W 4.9335 7.7708 116.0921 55.5179 29.8209 176.7193 490 G 4.0038 7.7359 108.5593 44.7329 0.0000 174.5105 491 G 2.8300 7.9332 108.7356 44.7968 0.0000 170.5843 492 L 4.2528 6.8282 122.1650 53.7809 43.2030 175.3059 493 Y 4.9304 8.7547 124.4759 57.2460 39.2533 175.3243 494 V 4.9617 8.8315 115.8980 59.7725 37.0717 174.1598 495 A 5.0997 9.1047 122.9657 50.6430 21.9538 177.8408 496 T 4.1611 8.9465 111.7212 64.3302 69.6660 174.2122 497 H 4.6146 8.3704 122.3655 54.8904 29.9007 174.7613 498 A 3.7421 8.8985 130.1761 55.5974 18.1058 178.5085 499 E 3.8227 7.8814 116.8194 59.2371 29.3701 179.1284 500 V 3.6232 7.7508 117.3947 66.0690 31.9598 177.6278 501 A 4.3798 8.1103 120.0535 55.4919 18.3193 178.8344 502 H 4.1764 8.8099 117.3728 59.3111 29.6499 177.6393 503 G 3.5309 7.9079 106.2241 46.9264 0.0000 174.1037 504 Y 4.5801 7.9618 116.8576 57.3375 39.8287 175.6243 505 A 4.7921 7.7202 126.3382 49.8555 17.4572 176.7600 506 R 4.8663 7.0779 115.7850 54.4649 32.0972 175.7272 507 I 3.9416 8.3045 120.7825 61.7514 37.6167 176.9018 508 K 4.6596 8.6763 122.5019 56.3382 33.6737 176.1236 509 E 4.9275 7.9591 115.8053 54.7294 32.3287 174.9970 510 G 3.7728 8.7835 110.2858 44.5967 0.0000 173.3487 511 T 4.4573 8.1754 110.2764 61.0067 69.4705 175.0480 512 G 3.9226 8.1569 113.1859 44.7100 0.0000 172.8964 513 E 3.9632 8.6561 118.2522 58.1883 29.7135 176.9229 514 Y 3.7246 9.0146 119.3755 59.0494 35.2445 171.2531 515 G 3.9730 8.1588 106.1614 45.5009 0.0000 174.4765 516 L 4.1270 7.8751 120.6002 53.6305 42.2241 174.9175 517 P 4.4981 0.0000 0.0000 62.4482 32.0042 177.0430 518 T 4.1082 8.7039 112.9768 61.1163 70.7544 175.5475 519 R 3.8147 8.4977 120.4924 59.7247 29.9472 178.1290 520 A 3.9757 7.9795 119.8438 55.3298 18.1394 179.3398 521 E 3.9482 7.7935 116.0105 59.4357 29.5582 179.4919 522 R 4.1185 7.9493 117.5317 59.2676 30.3119 178.3117 523 D 4.5786 8.1781 116.1068 54.6735 41.3321 176.9248 524 A 4.3912 7.0837 121.8398 52.1316 19.0700 176.6557 525 R 4.8515 8.6143 118.7944 54.2663 33.6059 176.6904 526 G 4.5582 8.8530 110.1097 45.4294 0.0000 171.9446 527 V 4.8575 8.7334 118.9178 61.2625 35.0027 174.5990 528 M 4.6918 8.8016 127.1867 54.5769 33.2595 175.1987 529 L 5.2239 9.2711 124.7016 53.4392 44.9276 175.7305 530 R 5.0555 9.5662 121.1236 54.6843 32.6145 175.2462 531 V 4.9524 8.6735 124.4276 61.4271 34.0845 174.0051 532 Y 5.2510 9.1540 124.5395 56.1454 41.9936 174.5100 533 I 5.0301 8.3975 115.9549 58.1452 41.4585 173.3727 534 P 4.5547 0.0000 0.0000 62.3516 32.1096 177.5411 535 R 3.7837 8.8190 122.3305 59.8353 30.0110 178.9725 536 A 4.0348 7.8642 119.5179 54.8620 18.4395 179.1198 537 S 4.2789 8.0435 113.0579 60.4981 62.9217 176.3140 538 L 3.8970 7.8060 122.4046 57.3327 41.0028 178.6809 539 E 3.9810 7.8406 118.3868 58.2447 29.7073 177.0863 540 R 3.9356 7.9160 117.9600 55.6841 31.7859 175.5594 541 F 4.6393 7.6163 123.4149 56.7797 39.7550 173.9452 542 Y 4.8587 8.0340 122.7903 56.4058 40.0056 174.3254 543 R 5.0141 8.5673 120.6658 55.0312 33.6047 174.0413 544 T 4.8874 8.9661 118.4671 60.4689 70.7384 174.3902 545 N 4.6221 8.8930 122.3091 55.1316 39.2188 176.0114 546 T 4.0702 7.6623 116.1584 62.2280 69.1525 172.7278 547 P 4.4200 0.0000 0.0000 62.9793 32.1778 177.1959 548 L 4.0392 8.7647 123.0297 58.0005 41.5960 179.8075 549 E 3.6980 8.0384 116.4676 58.2924 29.2358 177.6147 550 N 4.9533 8.1073 115.5532 52.9823 39.3728 175.2299 551 A 4.6458 7.7754 122.1567 51.7957 19.4137 178.1436 552 E 3.7852 8.1948 121.8907 60.3256 29.7748 178.8905 553 E 3.8802 8.0726 117.9751 59.5671 29.5762 178.6440 554 H 4.1182 8.0645 117.7559 59.2479 29.9890 177.2179 555 I 2.8052 7.7847 122.1990 64.2911 36.8744 178.5819 556 T 3.9672 7.7011 112.0391 64.2972 68.2541 176.6140 557 Q 3.8937 7.5726 119.6594 58.5665 28.7875 178.4864 558 V 3.5940 7.4692 118.5637 65.8158 31.7152 177.7305 559 I 3.8972 7.5485 110.7199 61.5074 37.7697 176.9031 560 G 3.8843 9.3575 108.5758 45.3725 0.0000 172.2175 561 H 4.6638 7.1398 113.4218 54.0313 30.8650 173.2617 562 S 4.1709 8.3803 114.7939 57.7228 63.4453 174.1825 563 L 3.9076 8.0147 121.6395 54.3211 41.8284 175.5229 564 P 4.8932 0.0000 0.0000 60.9985 32.4306 176.0193 565 L 4.3030 8.1146 119.0102 55.3573 43.6179 175.2023 566 R 4.4216 9.4602 120.5562 56.7210 29.1829 178.4419 567 N 5.1543 9.1035 124.2168 52.9571 38.0061 172.3543 568 E 5.1167 7.5023 118.5237 55.2344 35.1917 175.7004 569 A 5.0914 8.9031 122.3027 50.1971 23.0873 174.9182 570 F 4.7789 8.9601 121.2897 56.6583 43.1099 173.7100 571 T 5.0241 8.2670 121.8134 61.7969 71.9731 173.3817 572 G 4.3580 8.3653 110.7698 44.9169 0.0000 170.5816 573 P 4.9778 0.0000 0.0000 62.9086 31.8378 177.5912 574 E 4.4557 9.5820 122.1132 57.2931 30.1450 176.1590 575 S 4.9015 7.8145 113.0991 57.9895 65.4695 173.6263 576 A 3.9287 8.4260 124.0577 53.6505 17.9021 177.8387 577 G 3.8275 8.9936 110.9465 45.9510 0.0000 172.9499 578 G 4.1321 7.5666 107.0817 43.7283 0.0000 173.5861 579 E 4.4516 8.4886 118.9639 55.9746 30.8794 176.6604 580 D 5.1644 8.5902 120.9283 54.4028 41.8361 175.6569 581 E 4.9426 9.2543 118.6654 54.9153 33.7881 174.4982 582 T 4.6518 9.1158 117.0605 61.7721 71.9082 173.2019 583 V 3.7514 8.6269 127.0069 61.1478 33.4103 174.5437 584 I 4.2840 8.3657 130.6027 59.5283 38.3803 175.7686 585 G 4.1976 8.5836 115.1984 45.6757 0.0000 174.0826 586 W 4.5995 8.8631 122.3615 59.8071 28.9245 178.6761 587 D 4.5493 8.2591 117.4133 56.9002 40.4699 177.7320 588 M 4.3915 8.0502 118.2237 58.1196 32.6117 177.7072 589 A 4.0478 8.5240 121.5751 55.0606 18.2887 179.3291 590 I 4.0992 7.8134 111.6293 62.8803 37.7560 176.4659 591 H 4.7299 8.1167 116.3663 55.7421 29.2687 174.7869 592 A 4.7280 7.8796 122.0412 51.6940 19.5665 177.1555 593 V 4.6079 8.8159 111.2761 59.5902 36.1779 174.9314 594 A 5.4682 8.5170 123.2945 50.3028 22.0827 175.3654 595 I 4.7032 8.6410 113.4740 58.1626 41.5595 173.1434 596 P 4.9057 0.0000 0.0000 62.8260 31.8707 176.3735 597 S 4.9205 9.2954 119.2327 58.4049 63.3538 173.9717 598 T 4.5268 9.7392 111.9835 61.6759 69.1082 175.0672 599 I 3.9086 7.9723 124.9877 60.4788 37.2253 174.3049 600 P 4.3758 0.0000 0.0000 62.6361 31.7249 176.4722 601 G 4.3872 8.3131 108.6421 45.5332 0.0000 171.8169 602 N 4.9660 8.2255 117.3463 53.0800 41.9100 172.8376 603 A 4.9213 8.2217 118.2832 51.0777 22.1968 176.2719 604 Y 4.3673 8.8643 119.2778 59.7908 38.7551 176.4433 605 E 4.3127 8.0198 118.5682 54.5373 30.4749 175.9478 606 E 4.3580 8.5358 123.8112 56.3459 30.2589 176.2596 607 L 4.8273 8.8198 121.4055 52.4928 45.2368 176.5121 608 A 4.1633 8.3567 124.0726 51.5547 19.0839 177.7304 609 I 3.3768 8.0065 122.3815 60.9812 38.7911 176.2351 610 D 4.5652 8.2933 125.6898 53.3059 40.8148 176.7285 611 E 3.9818 8.4947 127.5767 58.8751 29.5023 178.6142 612 E 3.8670 8.0685 119.7101 59.1878 29.8159 178.7678 613 A 3.9332 8.0614 120.3731 54.9354 18.3090 179.5304 614 V 3.4654 7.4779 115.5858 66.0934 31.8935 177.8564 615 A 4.0740 8.2640 120.8057 55.0877 18.0316 179.4032 616 K 3.5631 7.9071 117.0723 59.4013 32.3693 178.0331 617 E 4.3478 7.9840 116.6022 56.9411 29.6711 178.0182 618 Q 3.9809 7.7680 121.3620 59.5184 28.8664 178.8721 619 S 4.3832 8.0611 112.9471 60.4967 63.0366 175.1283 620 I 4.2963 7.1447 114.4689 60.4399 37.6538 175.6505 621 S 3.8100 8.0175 116.1600 58.2837 63.9738 174.5577 622 T 4.1531 7.9405 109.5918 61.1408 69.2317 174.1402 623 K 4.1426 8.5124 122.8386 56.0024 32.6597 175.2715 624 P 4.3812 0.0000 0.0000 61.1667 32.2239 174.1599 625 P 4.2733 0.0000 0.0000 62.8375 31.9174 175.1499 626 Y 5.0221 8.1096 117.5102 56.1644 41.3629 175.5439 627 K 4.3511 8.9229 122.4808 56.0912 33.2351 176.8292 628 E 4.4251 8.5884 125.5695 56.7400 29.0921 174.7835 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 425 H 8.44 4.83 0.00 3.17 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 M 8.18 4.44 0.00 2.48 2.13 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 2.67 2.88 0.00 427 A 8.60 3.17 -0.13 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 0.00 0.00 428 V 7.63 3.74 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 0.83 0.00 0.00 0.98 0.00 0.00 429 I 8.21 4.29 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 0.95 0.00 0.00 430 T 8.45 4.76 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 1.26 0.00 0.00 431 P 0.00 3.75 0.00 2.10 1.93 0.00 3.51 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 2.08 2.07 0.00 432 Q 9.12 4.43 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 433 G 6.81 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 0.00 0.00 0.00 0.00 434 V 7.87 4.50 2.19 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 0.82 0.00 0.00 0.95 0.00 0.00 435 T 8.83 4.59 4.29 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 1.24 0.00 0.00 436 N 8.64 4.26 0.00 3.07 2.98 0.00 0.00 6.22 7.68 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 0.00 437 W 7.66 5.47 0.00 3.34 2.97 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 0.00 438 T 8.74 4.39 4.32 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 1.21 0.00 0.00 439 Y 8.30 3.78 0.00 3.07 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 0.00 440 Q 7.86 3.81 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 441 E 7.74 3.74 0.00 1.65 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 2.28 2.19 0.00 442 L 6.60 3.17 0.00 0.71 1.07 1.18 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 443 E 7.76 3.62 0.00 1.20 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 2.22 2.25 0.00 444 A 7.57 4.25 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 0.00 445 T 7.91 3.87 4.57 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 1.32 0.00 0.00 446 H 8.77 4.08 0.00 3.29 3.50 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 0.00 447 Q 8.32 3.97 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 448 A 8.08 4.01 1.39 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 0.00 449 L 8.13 3.97 0.00 1.53 1.43 -0.21 0.56 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 0.00 450 T 7.96 4.03 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 451 R 7.96 3.92 0.00 1.79 2.14 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 452 E 8.11 4.24 0.00 2.33 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 0.00 2.38 2.51 0.00 453 G 8.14 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 0.00 0.00 0.00 454 Y 7.72 5.26 0.00 3.01 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 0.00 455 V 8.98 4.60 1.97 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 0.85 0.00 0.00 0.91 0.00 0.00 456 F 8.99 3.87 0.00 2.52 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 0.00 457 V 8.87 3.87 1.99 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 -0.12 0.00 0.00 0.80 0.00 0.00 458 G 5.38 3.76 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 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3.90 0.00 1.69 1.58 0.76 0.28 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 0.00 539 E 7.84 3.98 0.00 1.95 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 2.30 2.33 0.00 540 R 7.92 3.94 0.00 1.75 1.88 0.00 3.28 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 541 F 7.62 4.64 0.00 3.13 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 0.00 542 Y 8.03 4.86 0.00 1.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 R 8.57 5.01 0.00 1.10 1.69 0.00 2.21 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 544 T 8.97 4.89 4.60 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 1.40 0.00 0.00 545 N 8.89 4.62 0.00 2.75 2.85 0.00 0.00 6.99 7.54 0.00 0.00 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 7.66 4.07 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 1.20 0.00 0.00 547 P 0.00 4.42 0.00 2.14 1.96 0.00 3.60 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 2.10 2.11 0.00 548 L 8.76 4.04 0.00 1.55 1.70 1.04 0.79 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 0.00 549 E 8.04 3.70 0.00 2.01 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 2.26 2.32 0.00 550 N 8.11 4.95 0.00 2.76 2.86 0.00 0.00 6.79 7.15 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 0.00 551 A 7.78 4.65 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 0.00 552 E 8.19 3.79 0.00 2.22 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 0.00 2.29 2.21 0.00 553 E 8.07 3.88 0.00 2.03 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 2.37 2.35 0.00 554 H 8.06 4.12 0.00 3.18 3.38 0.00 5.87 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 0.00 555 I 7.78 2.81 1.55 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.36 0.00 0.00 556 T 7.70 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 1.12 0.00 0.00 557 Q 7.57 3.89 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 558 V 7.47 3.59 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 0.20 0.00 0.00 0.82 0.00 0.00 559 I 7.55 3.90 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 0.88 0.00 0.00 560 G 9.36 3.88 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 0.00 0.00 0.00 561 H 7.14 4.66 0.00 3.29 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.38 4.17 0.00 3.94 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 0.00 563 L 8.01 3.91 0.00 1.36 1.47 -0.23 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.89 0.00 2.19 2.32 0.00 3.36 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 565 L 8.11 4.30 0.00 1.59 1.65 0.91 0.91 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 0.00 566 R 9.46 4.42 0.00 1.87 1.33 0.00 2.93 0.00 0.00 3.01 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 567 N 9.10 5.15 0.00 2.74 2.82 0.00 0.00 6.64 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 E 7.50 5.12 0.00 2.09 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 0.00 2.55 2.54 0.00 569 A 8.90 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 F 8.96 4.78 0.00 3.11 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 0.00 571 T 8.27 5.02 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 0.94 0.00 0.00 572 G 8.37 4.36 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 0.00 573 P 0.00 4.98 0.00 2.11 2.12 0.00 3.76 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 574 E 9.58 4.46 0.00 1.98 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 0.00 2.60 2.12 0.00 575 S 7.81 4.90 0.00 3.95 3.96 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 0.00 576 A 8.43 3.93 1.26 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 0.00 0.00 577 G 8.99 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 0.00 0.00 0.00 578 G 7.57 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 0.00 0.00 0.00 579 E 8.49 4.45 0.00 1.96 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 2.40 2.31 0.00 580 D 8.59 5.16 0.00 2.60 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 0.00 581 E 9.25 4.94 0.00 2.10 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 0.00 2.35 2.29 0.00 582 T 9.12 4.65 4.32 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 1.01 0.00 0.00 583 V 8.63 3.75 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 0.63 0.00 0.00 0.56 0.00 0.00 584 I 8.37 4.28 1.74 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.94 0.00 0.00 585 G 8.58 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 0.00 0.00 0.00 0.00 586 W 8.86 4.60 0.00 3.47 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 0.00 587 D 8.26 4.55 0.00 2.84 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 0.00 588 M 8.05 4.39 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 589 A 8.52 4.05 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 0.00 590 I 7.81 4.10 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 1.80 0.74 1.07 0.00 0.00 591 H 8.12 4.73 0.00 3.36 3.44 0.00 5.65 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 0.00 592 A 7.88 4.73 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 0.00 593 V 8.82 4.61 1.83 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 0.49 0.00 0.00 0.08 0.00 0.00 594 A 8.52 5.47 1.23 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 0.00 0.00 595 I 8.64 4.70 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.83 0.00 0.00 596 P 0.00 4.91 0.00 1.69 2.00 0.00 3.24 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.93 0.00 597 S 9.30 4.92 0.00 4.29 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 0.00 598 T 9.74 4.53 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 1.06 0.00 0.00 599 I 7.97 3.91 1.84 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 1.26 0.57 0.84 0.00 0.00 600 P 0.00 4.38 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 601 G 8.31 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 0.00 0.00 0.00 0.00 602 N 8.23 4.97 0.00 2.60 2.77 0.00 0.00 6.53 8.15 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 0.00 603 A 8.22 4.92 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 0.00 604 Y 8.86 4.37 0.00 2.92 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 0.00 605 E 8.02 4.31 0.00 2.03 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 2.18 2.45 0.00 606 E 8.54 4.36 0.00 1.89 1.83 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 2.35 2.21 0.00 607 L 8.82 4.83 0.00 1.58 1.55 0.94 0.67 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 0.00 608 A 8.36 4.16 1.22 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 0.00 0.00 609 I 8.01 3.38 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 1.14 0.56 0.85 0.00 0.00 610 D 8.29 4.57 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.98 0.00 1.99 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 2.36 2.28 0.00 612 E 8.07 3.87 0.00 1.92 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 2.26 2.44 0.00 613 A 8.06 3.93 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 0.00 614 V 7.48 3.47 2.17 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 0.81 0.00 0.00 0.87 0.00 0.00 615 A 8.26 4.07 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 616 K 7.91 3.56 0.00 1.66 1.63 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.05 0.34 7.81 617 E 7.98 4.35 0.00 2.29 2.06 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 2.54 2.47 0.00 618 Q 7.77 3.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 619 S 8.06 4.38 0.00 4.06 3.96 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 0.00 620 I 7.14 4.30 1.33 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 1.63 0.57 0.89 0.00 0.00 621 S 8.02 3.81 0.00 3.83 3.50 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 0.00 622 T 7.94 4.15 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 1.23 0.00 0.00 623 K 8.51 4.14 0.00 1.87 1.96 0.00 2.01 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.57 7.81 624 P 0.00 4.38 0.00 1.63 1.82 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.70 0.00 625 P 0.00 4.27 0.00 2.10 2.01 0.00 3.45 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 626 Y 8.11 5.02 0.00 2.90 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 0.00 627 K 8.92 4.35 0.00 1.56 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.52 7.81 628 E 8.59 4.43 0.00 2.08 1.83 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 2.25 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.