NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 546 P 4.9879 0.0000 0.0000 62.9933 31.4441 174.3847 547 R 4.2883 8.1526 122.5211 57.1596 32.2041 172.7433 548 P 4.4818 0.0000 0.0000 62.6802 33.0383 174.3108 549 R 5.1282 8.7437 124.7663 55.0585 32.3835 174.6516 550 I 5.0073 8.7215 126.1847 59.4453 40.4987 174.1849 551 L 4.4204 8.4472 128.9183 53.5568 42.8738 175.6104 552 I 4.5699 8.3901 128.5772 59.5377 38.5624 175.1498 553 C 4.7936 8.7724 128.7244 57.6657 33.3584 172.0091 554 E 4.8221 8.7984 127.2100 54.6058 32.4547 175.6866 555 D 4.3467 8.5853 126.6630 57.1038 41.7075 176.5262 556 D 4.5554 8.7760 120.6777 52.9203 41.9478 175.0680 557 P 4.2430 0.0000 0.0000 65.9048 31.2894 178.2880 558 D 4.3164 8.4957 118.9718 57.4547 40.7241 178.7596 559 I 3.7405 7.9313 119.5858 64.1152 37.0989 178.2081 560 A 3.9648 8.2976 122.1312 55.0995 18.0994 179.6983 561 R 3.8399 8.0534 117.3721 59.1585 29.9044 178.3793 562 L 3.9342 7.7777 119.5357 58.2009 42.1743 178.6988 563 L 4.1094 7.8188 117.4734 57.8249 41.9398 178.5383 564 N 4.5663 8.1215 118.3173 55.9171 38.8889 176.4999 565 L 4.5269 8.1450 119.7414 55.2730 42.2565 179.0444 *567 L 4.4375 7.9418 120.9756 54.9532 44.0271 179.1123 568 E 4.6954 8.1513 118.2085 58.6939 29.6505 178.7754 569 K 4.0188 8.0165 118.3866 58.6511 32.2951 177.2830 570 G 3.9599 8.1369 105.8934 45.2916 0.0000 174.3032 571 G 3.7448 8.4855 107.9448 44.7841 0.0000 172.9517 572 F 5.3753 8.4586 118.8295 55.7570 41.6958 174.9334 573 D 5.2806 8.6938 122.2485 53.7751 42.9981 175.5432 574 S 5.0657 8.2515 112.5946 58.1307 66.0400 173.7799 575 D 5.5029 8.5709 122.0135 53.3596 44.4703 175.4841 *577 V 4.1784 8.2465 112.6155 62.5456 33.3040 176.0415 578 H 5.4368 9.4636 117.0746 54.6771 29.2026 174.5105 579 S 4.6483 7.4300 114.1913 56.0137 67.0431 174.5938 580 A 3.8958 8.7481 124.0562 55.2561 18.1536 179.5499 581 A 3.8993 8.0454 119.0221 55.7388 18.3963 179.9281 582 Q 3.8665 7.9257 115.4905 58.8952 28.6942 178.8058 583 A 3.8734 8.1875 122.1361 55.3348 18.2200 179.6669 584 L 3.8860 8.1195 116.2878 57.7701 41.6626 179.3113 585 E 4.0464 8.0401 119.2185 59.4714 29.6287 178.7219 586 Q 4.1234 8.7303 120.2056 58.9340 28.8848 178.2519 587 V 3.7569 7.9419 118.7876 63.9121 31.2137 176.7854 588 A 4.4544 7.5599 122.9857 53.4021 19.5332 179.3020 589 R 3.7187 7.6638 114.5218 59.0907 30.2779 176.6901 590 R 4.4066 7.0919 111.1313 54.1894 32.1969 172.7953 591 P 4.2359 0.0000 0.0000 62.8732 31.4954 175.6971 592 Y 4.7714 8.3092 120.5261 56.0876 40.6759 175.8382 593 A 4.3004 9.0242 126.6193 54.2834 19.9349 177.5681 594 A 5.0521 7.6886 117.3025 52.8247 24.9712 175.0152 *596 T 4.3700 8.2311 103.5939 62.1808 70.8408 173.6884 597 V 4.5517 8.4281 123.9782 61.0693 34.6647 173.6111 598 D 5.2551 8.3724 127.7000 53.0802 41.6794 176.3774 599 L 4.1690 8.5641 126.0927 56.7245 42.8065 177.5996 600 N 4.8821 7.8970 117.6217 51.9383 37.4731 174.5841 601 L 4.5136 7.2648 118.0208 53.3634 43.7652 176.1371 602 P 4.4187 0.0000 0.0000 65.5456 31.8531 177.4984 603 D 4.5313 8.1290 116.5717 56.2096 39.1540 177.1405 604 Q 4.4160 7.6157 112.4164 53.3822 30.8081 173.8357 605 D 4.6614 8.5649 122.5546 53.5441 41.2063 177.8578 606 G 3.5718 8.5379 106.4157 47.8204 0.0000 176.2550 607 V 3.5655 7.7649 120.0765 65.9450 31.5363 177.9028 608 S 4.0218 8.2915 112.9458 61.0581 62.1898 175.9913 609 L 3.8723 7.5357 123.1601 58.1379 41.8984 178.9054 610 I 3.6340 8.1538 120.0431 64.5962 36.9478 178.6739 611 R 3.8968 8.2906 118.9130 59.1863 29.3576 179.0345 612 A 4.0186 8.0314 120.6311 55.0394 18.0923 179.7221 613 L 4.0083 7.7021 116.9520 57.8646 41.7780 179.4528 614 R 4.1239 7.7624 116.5956 58.3634 30.1518 178.6526 615 R 4.1707 7.4968 117.4197 57.2098 30.5652 176.1967 616 D 4.5909 7.3843 118.4706 52.9162 42.2113 176.7720 617 S 4.1482 8.8446 121.5356 61.5345 62.5624 176.3772 618 R 4.1051 8.6680 119.0944 58.4116 30.2140 177.3639 619 T 4.5707 7.8113 106.0106 61.0776 69.1868 175.8490 620 R 3.9072 7.7037 122.7632 59.1714 30.1054 176.8471 621 D 4.7428 7.8328 114.8019 53.5460 41.4083 175.9577 622 L 3.9872 7.5004 122.4105 54.5337 42.7655 176.5766 623 A 4.1557 8.5621 129.2568 52.2959 19.3114 175.8248 624 I 4.7891 8.0779 121.8883 59.3215 41.5301 174.5301 625 V 4.5632 7.9917 125.0840 60.9319 34.5180 174.4394 626 V 4.0325 8.3556 128.8951 62.5749 32.9796 175.1912 627 V 4.8320 8.7898 126.9578 61.4841 33.7200 173.7177 628 S 4.6167 9.4877 121.2287 56.9350 65.9575 174.4891 629 A 3.8381 8.4375 126.5569 55.0947 19.3788 178.0328 630 N 5.0340 7.7784 109.9595 51.1293 39.2271 175.1099 631 A 4.2187 8.1285 124.9201 55.2814 19.2086 179.4230 632 R 3.7526 8.7975 115.0852 59.5585 29.2587 178.8344 633 E 4.0344 8.0473 116.4434 57.9648 30.1163 178.7829 634 G 3.5085 7.7206 107.4576 47.6041 0.0000 175.3643 635 E 2.5400 7.2283 120.7744 58.2050 29.4691 178.1669 636 L 4.1060 6.9062 114.8384 55.0380 41.6781 177.4900 637 E 4.2918 6.5749 118.3938 55.2095 31.3907 175.8893 638 F 4.7592 7.4950 107.4838 57.6877 38.2912 170.6662 639 N 4.3381 7.9588 126.5891 52.5393 39.2865 176.2035 640 S 3.9252 8.2234 110.0888 60.4382 64.5070 174.2820 641 Q 4.0535 9.7256 121.4961 58.5618 28.7467 176.9199 642 P 4.3918 0.0000 0.0000 65.4461 31.3164 177.3941 643 L 3.9492 7.8272 117.6319 55.5935 41.9235 176.5444 644 A 3.8187 7.7360 120.7461 52.9988 16.4758 177.6249 645 V 3.9225 7.6084 112.9194 61.3224 33.0100 177.4410 646 S 4.4056 8.5158 120.9723 61.8351 63.2504 174.9605 647 T 4.7738 7.5378 113.9153 61.9746 73.1707 173.3348 648 W 4.8029 9.0667 124.6977 55.2232 30.5708 174.6311 649 L 4.7571 9.0586 125.7704 53.1763 43.4840 176.6319 650 E 5.5667 8.6266 122.0116 54.9150 31.4525 175.3024 651 K 4.8970 8.2859 119.6818 53.6130 34.7983 174.9907 652 P 4.3092 0.0000 0.0000 63.0505 31.6218 175.8966 653 I 3.9623 8.1157 121.3786 61.0912 37.7088 175.9089 654 D 4.5791 8.5730 125.1261 53.1000 41.4837 176.0364 655 E 3.9256 8.7317 128.8250 59.5157 29.7240 178.3461 656 N 4.3501 8.1907 115.8941 56.2898 38.6799 177.0554 657 L 3.9964 8.5376 122.0047 57.8272 42.1385 178.5307 658 L 3.9119 8.1419 120.5199 58.3111 42.0771 178.9493 659 I 3.8224 7.7630 119.4091 64.5905 37.0854 178.4812 660 L 4.1332 7.9301 119.5346 58.0420 41.4431 179.8800 661 S 4.1580 8.5076 115.4629 61.3515 62.7518 176.7385 662 L 3.8572 8.0189 121.7347 58.1936 41.0565 179.2515 663 H 4.4295 8.4148 116.1131 58.8395 28.5238 177.7415 664 R 3.9404 8.3030 120.4362 59.4528 29.7797 178.1850 665 A 3.9874 8.3557 119.6629 55.5685 18.4868 179.5391 666 I 3.8407 7.7867 116.4045 63.8809 37.3659 177.7253 667 D 4.6885 7.6505 118.5340 56.3963 40.8993 178.4858 668 N 4.3303 8.1104 114.9362 53.4416 38.7890 175.0452 *670 A 4.9717 7.9834 128.4084 52.6858 19.0593 177.4397 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 4.99 0.00 2.49 2.19 0.00 3.26 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 547 R 8.15 4.29 0.00 1.85 1.88 0.00 3.23 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 548 P 0.00 4.48 0.00 2.57 2.17 0.00 3.71 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 2.13 2.14 0.00 549 R 8.74 5.13 0.00 1.89 1.73 0.00 2.80 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 550 I 8.72 5.01 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.49 0.74 0.00 0.00 551 L 8.45 4.42 0.00 0.27 1.07 0.51 0.84 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 0.00 552 I 8.39 4.57 1.93 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 1.02 1.20 0.86 0.00 0.00 553 C 8.77 4.79 0.00 2.88 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 0.00 554 E 8.80 4.82 0.00 2.07 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 2.16 2.45 0.00 555 D 8.59 4.35 0.00 2.73 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 0.00 556 D 8.78 4.56 0.00 2.73 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 0.00 557 P 0.00 4.24 0.00 2.30 2.30 0.00 3.74 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 2.07 2.04 0.00 558 D 8.50 4.32 0.00 2.88 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 0.00 559 I 7.93 3.74 2.11 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 0.85 0.94 0.00 0.00 560 A 8.30 3.96 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 0.00 561 R 8.05 3.84 0.00 1.96 2.10 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 7.78 3.93 0.00 1.66 1.88 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 563 L 7.82 4.11 0.00 1.80 1.68 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 564 N 8.12 4.57 0.00 2.83 3.03 0.00 0.00 6.78 6.18 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 0.00 565 L 8.14 4.53 0.00 1.85 1.67 0.93 0.77 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 *567 L 7.94 4.44 0.00 1.98 1.88 0.79 0.71 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 0.00 568 E 8.15 4.70 0.00 2.16 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 2.33 2.24 0.00 569 K 8.02 4.02 0.00 1.95 1.86 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.41 7.81 570 G 8.14 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 0.00 0.00 0.00 571 G 8.49 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 0.00 572 F 8.46 5.38 0.00 3.00 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 8.69 5.28 0.00 2.71 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 0.00 574 S 8.25 5.07 0.00 3.96 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 8.57 5.50 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 *577 V 8.25 4.18 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 0.70 0.00 0.00 0.87 0.00 0.00 578 H 9.46 5.44 0.00 3.12 3.37 0.00 5.75 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 0.00 579 S 7.43 4.65 0.00 4.35 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 0.00 580 A 8.75 3.90 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 0.00 581 A 8.05 3.90 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 0.00 582 Q 7.93 3.87 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 583 A 8.19 3.87 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 8.12 3.89 0.00 1.71 1.73 0.90 0.92 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 0.00 585 E 8.04 4.05 0.00 2.14 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 2.30 2.31 0.00 586 Q 8.73 4.12 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 587 V 7.94 3.76 2.13 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 0.81 0.00 0.00 0.95 0.00 0.00 588 A 7.56 4.45 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 0.00 589 R 7.66 3.72 0.00 2.00 2.05 0.00 3.22 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 590 R 7.09 4.41 0.00 1.51 1.75 0.00 3.00 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.00 591 P 0.00 4.24 0.00 1.94 1.98 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 592 Y 8.31 4.77 0.00 2.94 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 0.00 593 A 9.02 4.30 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 0.00 594 A 7.69 5.05 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 0.00 0.00 0.00 0.00 0.00 *596 T 8.23 4.37 4.14 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 0.00 0.00 0.00 1.08 0.00 0.00 597 V 8.43 4.55 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 0.94 0.00 0.00 0.81 0.00 0.00 598 D 8.37 5.26 0.00 2.87 2.53 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 0.00 599 L 8.56 4.17 0.00 1.75 1.80 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 600 N 7.90 4.88 0.00 2.71 2.81 0.00 0.00 6.89 7.85 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 0.00 601 L 7.26 4.51 0.00 1.81 1.59 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 602 P 0.00 4.42 0.00 2.04 2.09 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 603 D 8.13 4.53 0.00 2.78 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 0.00 604 Q 7.62 4.42 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 605 D 8.56 4.66 0.00 3.10 2.91 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 0.00 606 G 8.54 3.57 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 0.00 0.00 0.00 607 V 7.76 3.57 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 0.63 0.00 0.00 0.81 0.00 0.00 608 S 8.29 4.02 0.00 4.00 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 7.54 3.87 0.00 1.73 1.74 0.91 0.99 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 8.15 3.63 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.83 0.00 0.00 611 R 8.29 3.90 0.00 1.77 1.93 0.00 3.06 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 612 A 8.03 4.02 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 0.00 613 L 7.70 4.01 0.00 1.81 1.71 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 614 R 7.76 4.12 0.00 1.78 1.97 0.00 3.41 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 615 R 7.50 4.17 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 616 D 7.38 4.59 0.00 2.71 2.53 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 0.00 617 S 8.84 4.15 0.00 3.89 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 0.00 618 R 8.67 4.11 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 619 T 7.81 4.57 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 7.70 3.91 0.00 2.02 2.00 0.00 3.24 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 621 D 7.83 4.74 0.00 2.70 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 0.00 622 L 7.50 3.99 0.00 1.62 1.71 0.97 0.78 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 0.00 623 A 8.56 4.16 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 0.00 624 I 8.08 4.79 1.73 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 1.18 0.71 0.00 0.00 625 V 7.99 4.56 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 1.02 0.00 0.00 0.83 0.00 0.00 626 V 8.36 4.03 1.49 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 0.89 0.00 0.00 0.16 0.00 0.00 627 V 8.79 4.83 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 0.87 0.00 0.00 0.87 0.00 0.00 628 S 9.49 4.62 0.00 3.98 3.71 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 0.00 0.00 0.00 0.00 629 A 8.44 3.84 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 0.00 630 N 7.78 5.03 0.00 2.80 2.76 0.00 0.00 6.81 7.97 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 0.00 631 A 8.13 4.22 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 3.75 0.00 1.93 2.27 0.00 2.74 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 633 E 8.05 4.03 0.00 2.03 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 2.30 2.28 0.00 634 G 7.72 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 0.00 635 E 7.23 2.54 0.00 1.16 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 1.72 1.47 0.00 636 L 6.91 4.11 0.00 1.45 1.50 0.67 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 637 E 6.57 4.29 0.00 1.83 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 2.03 2.11 0.00 638 F 7.50 4.76 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.34 0.00 2.99 2.92 0.00 0.00 6.89 7.63 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 0.00 640 S 8.22 3.93 0.00 4.64 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 0.00 641 Q 9.73 4.05 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 642 P 0.00 4.39 0.00 2.23 2.20 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 643 L 7.83 3.95 0.00 1.99 1.81 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 644 A 7.74 3.82 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 0.00 645 V 7.61 3.92 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 0.47 0.00 0.00 0.10 0.00 0.00 646 S 8.52 4.41 0.00 3.72 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 0.00 647 T 7.54 4.77 4.22 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 1.27 0.00 0.00 648 W 9.07 4.80 0.00 3.10 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 0.00 649 L 9.06 4.76 0.00 1.66 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 650 E 8.63 5.57 0.00 1.88 1.91 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 2.42 2.30 0.00 651 K 8.29 4.90 0.00 1.61 1.69 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.32 7.81 652 P 0.00 4.31 0.00 2.18 2.08 0.00 3.77 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 2.01 0.00 653 I 8.12 3.96 1.87 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 1.30 0.54 0.91 0.00 0.00 654 D 8.57 4.58 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 8.73 3.93 0.00 2.09 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 2.41 2.43 0.00 656 N 8.19 4.35 0.00 2.92 2.87 0.00 0.00 6.76 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 8.54 4.00 0.00 1.76 1.84 0.95 0.82 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 0.00 658 L 8.14 3.91 0.00 1.88 1.88 0.86 1.07 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 0.00 659 I 7.76 3.82 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.10 1.11 0.00 0.00 660 L 7.93 4.13 0.00 1.76 1.77 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 661 S 8.51 4.16 0.00 3.83 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 0.00 662 L 8.02 3.86 0.00 1.62 1.21 0.47 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 8.41 4.43 0.00 3.45 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 664 R 8.30 3.94 0.00 2.27 2.03 0.00 3.20 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 665 A 8.36 3.99 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 0.00 666 I 7.79 3.84 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.78 0.98 0.00 0.00 667 D 7.65 4.69 0.00 2.91 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 0.00 668 N 8.11 4.33 0.00 2.68 2.85 0.00 0.00 6.98 7.58 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 *670 A 7.98 4.97 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.