NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 497 L 4.3491 8.1693 120.7603 54.2573 42.6431 175.5602 498 D 4.8316 8.1576 121.2428 50.7627 42.5403 172.5590 499 K 4.4403 9.2116 121.5213 55.2694 36.4976 175.7614 500 A 4.8027 7.4724 125.4754 50.0121 22.3762 176.0043 501 G 4.0390 7.1895 107.3739 46.6907 0.0000 170.8834 502 V 4.7491 8.3335 119.8692 61.3869 32.5654 175.1250 503 L 4.8480 8.4667 128.8894 53.5025 46.1265 174.4812 504 H 5.3257 8.5158 120.3861 54.9506 30.5747 174.6489 505 R 5.2062 9.1166 117.8683 55.6797 33.2340 173.6579 506 T 4.6284 8.0230 113.9337 60.0674 71.0154 172.9904 507 K 4.0131 8.4904 129.6530 56.7538 32.5071 176.2806 508 T 4.4885 8.6489 114.3717 61.4870 71.5744 173.4046 509 A 4.8330 7.3033 122.5789 50.3805 23.1590 174.9294 510 D 4.6614 9.1961 121.9549 52.7434 41.5431 176.5799 511 K 4.3814 9.1539 129.8221 56.2363 30.1283 176.4675 512 G 3.8468 8.2240 105.6191 44.9612 0.0000 173.3100 513 K 4.3862 7.7679 120.2420 54.2310 32.8703 176.1920 514 R 4.3433 8.3274 123.7638 55.9919 30.6472 176.9416 515 L 4.2222 8.1844 122.6890 54.2382 42.4554 177.4890 516 R 4.0057 8.5847 122.4125 58.7814 30.2336 176.3576 517 K 4.6407 7.4063 113.5211 54.7506 35.8337 175.4944 518 K 4.0328 8.1956 118.4059 56.6791 33.0653 177.0522 519 H 4.9662 8.3841 117.1634 54.2328 29.2462 174.5589 520 W 4.6770 7.9376 118.6173 57.6417 29.9570 177.4416 521 S 4.8435 9.1639 117.4756 56.8860 65.9756 172.6438 522 A 4.8226 8.6039 126.6365 51.7022 19.4324 176.9238 523 S 4.6830 8.9536 115.2370 56.1025 67.1887 173.3322 524 W 4.6133 8.6762 131.0830 58.6652 31.6196 174.7527 525 T 4.9574 7.9063 121.9669 61.8612 72.7843 173.0177 526 V 4.7467 8.6748 124.9174 60.9790 35.3618 173.5546 527 L 5.1741 9.1028 130.2123 53.3693 44.3172 174.6421 528 E 4.7145 9.2448 126.7286 55.4902 33.6769 175.1236 529 G 3.8828 9.7417 114.7295 46.7501 0.0000 174.0204 530 G 3.8701 8.3296 104.2470 45.3052 0.0000 173.3925 531 V 4.7568 7.7503 119.3947 60.5973 34.8175 173.9288 532 L 4.9477 8.8084 130.1832 53.7787 43.9820 174.9083 533 T 4.8910 8.8458 123.1636 61.7722 71.5733 172.8734 534 F 5.1455 8.6902 125.7373 56.1067 40.8648 176.1900 535 F 4.9224 9.4361 123.1625 56.6351 39.9722 175.4316 536 K 4.1939 8.7088 119.8281 56.4016 32.5314 177.2051 537 D 4.6323 8.7443 121.9800 54.3115 41.2287 177.0894 538 S 4.6638 8.7407 121.4928 58.1557 61.6778 174.9782 *545 G 3.6463 8.3644 109.8220 44.8911 0.0000 170.7913 546 L 4.3950 8.4721 123.4227 54.8596 41.8693 176.2743 547 R 4.6080 8.7902 123.7316 57.0015 32.4654 172.5100 548 Q 4.4619 7.7971 117.7357 53.3129 30.3866 174.9334 549 P 2.0000 0.0000 0.0000 64.5600 31.4077 178.3244 550 S 4.1471 7.6253 110.9428 59.8430 61.8061 174.6613 551 K 4.5315 7.9243 120.4304 56.3359 32.4369 177.5199 552 F 4.3562 7.8630 117.7026 58.0548 39.6629 177.5920 553 S 3.8662 7.5754 115.0267 58.6431 61.6828 169.1045 554 T 4.7408 8.0862 106.6545 58.5986 71.9261 171.1498 555 P 3.7244 0.0000 0.0000 63.1975 31.2761 175.2178 556 E 4.2867 9.0507 123.8410 57.3925 31.5039 175.6050 557 Y 5.2422 7.8394 116.0966 56.2396 41.9375 174.3294 558 T 4.9535 8.7484 112.8633 59.8264 71.7857 173.4462 559 V 4.3220 8.6419 124.2650 60.8694 34.4263 174.2608 560 E 4.3675 8.8273 129.4539 55.9590 30.3507 176.5946 561 L 4.1069 8.9476 126.4998 56.7851 42.1722 177.1048 562 R 3.9725 7.8892 119.1416 57.8382 29.9949 176.5015 563 G 3.8671 9.0003 113.1017 45.3273 0.0000 172.7840 564 A 4.7357 7.7992 121.4690 51.5513 19.9231 177.1092 565 T 4.6966 8.8325 108.9279 59.7540 72.2506 172.7689 566 L 5.3316 8.4767 125.2021 53.4163 44.7857 175.4167 567 S 4.6847 8.8300 119.5409 56.2939 67.0799 173.2685 568 W 4.7568 8.6897 121.0633 56.6754 29.4224 176.0778 569 A 4.4496 9.1775 127.7832 50.8978 18.8046 175.8346 570 P 4.4650 0.0000 0.0000 62.7437 32.2300 178.1811 571 K 4.0718 8.8360 126.2360 60.8266 31.2054 180.4092 572 D 4.5764 8.0755 119.6536 57.9252 39.8182 181.0745 573 K 4.4350 7.9001 116.7867 58.3794 32.7627 177.1735 574 S 4.7296 7.0874 110.9416 57.2550 65.4882 174.1885 575 S 4.4475 8.6461 119.9659 58.9806 63.5264 174.5500 576 R 4.1197 7.6206 120.6367 55.5543 30.5490 176.1890 577 K 4.1262 8.1903 118.9491 57.4216 32.8927 177.0283 578 N 4.3318 8.5998 118.1190 54.4150 36.1783 174.2405 579 V 4.7323 7.6622 117.5143 62.2239 33.5797 175.2093 580 L 4.9800 9.1326 128.2960 53.1640 44.4601 174.8989 581 E 4.9816 9.2465 123.7464 54.4244 31.9942 174.1123 582 L 5.1929 9.0966 129.8418 53.4318 44.5618 174.9429 583 R 5.1281 9.0986 126.2104 54.4358 32.9041 176.2504 584 S 4.8791 9.0598 119.6852 56.8342 64.5472 175.5177 585 R 3.9703 8.4204 117.5184 59.0518 29.5425 177.2679 586 D 4.4592 8.0811 116.3478 53.7164 39.9290 177.4522 587 G 3.9984 8.3104 109.4931 45.2989 0.0000 173.7091 588 S 4.6708 8.2819 116.1450 58.4729 64.3798 173.1815 589 E 5.1445 8.4662 121.0229 55.0166 33.8229 174.3383 590 Y 4.9226 8.9936 119.5366 56.3084 43.0052 173.9987 591 L 5.2583 8.6154 122.2790 53.2074 44.5876 175.6532 592 I 5.3661 8.8230 123.4125 59.8857 41.1884 174.4214 593 Q 5.0658 9.2106 122.1427 56.8458 32.2833 172.7110 594 H 4.8655 8.4392 118.0066 55.0678 32.7785 173.5289 595 D 4.3882 8.4919 125.7593 56.8079 41.1687 177.1375 596 S 4.4212 8.2994 114.4091 57.4710 63.3201 173.9151 597 E 3.9986 9.0486 129.2648 59.7386 28.9257 179.0842 598 A 4.0487 8.0653 119.9743 55.3260 18.3197 179.6779 599 I 3.7977 7.5758 118.1926 64.5859 37.2621 178.5227 600 I 3.9374 8.1438 119.6171 64.1936 37.7864 178.0868 601 S 4.3140 8.4059 116.2781 61.8827 62.6578 176.5318 602 T 3.8063 7.7535 115.4252 64.8701 66.9444 176.3667 603 W 4.0500 8.1158 120.8789 59.6261 29.0334 177.8693 604 H 4.1200 8.7257 118.7155 59.2321 29.2238 176.9163 605 K 3.7415 8.1344 120.8825 59.5516 31.9641 178.4343 606 A 3.8930 7.8104 120.7044 55.3158 18.3315 179.7532 607 I 3.6767 8.1801 118.4431 64.2670 36.9546 178.5583 608 A 3.9669 8.0097 120.8680 55.4552 18.5744 179.5153 609 Q 4.1593 8.5011 117.0687 58.9131 28.4799 179.2249 610 G 3.6132 8.0189 106.3567 47.7639 0.0000 175.5134 611 I 3.9575 7.7600 121.1065 63.4743 37.1027 176.1478 612 Q 4.2304 7.7559 122.7711 55.8725 28.8006 175.2218 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 497 L 8.17 4.35 0.00 1.68 1.53 0.92 0.59 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 0.00 498 D 8.16 4.83 0.00 2.73 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 0.00 499 K 9.21 4.44 0.00 1.39 1.03 0.00 0.63 0.00 0.00 1.09 0.00 0.00 2.51 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.21 7.81 500 A 7.47 4.80 0.94 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 0.00 0.00 501 G 7.19 4.04 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 0.00 0.00 0.00 502 V 8.33 4.75 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 0.74 0.00 0.00 0.91 0.00 0.00 503 L 8.47 4.85 0.00 1.31 1.19 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 504 H 8.52 5.33 0.00 3.32 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 R 9.12 5.21 0.00 1.36 1.60 0.00 2.74 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 506 T 8.02 4.63 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 -0.16 0.00 0.00 507 K 8.49 4.01 0.00 1.07 1.34 0.00 0.77 0.00 0.00 1.41 0.00 0.00 2.56 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.90 0.34 7.81 508 T 8.65 4.49 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 0.94 0.00 0.00 509 A 7.30 4.83 1.07 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 0.00 510 D 9.20 4.66 0.00 2.60 2.50 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 0.00 511 K 9.15 4.38 0.00 1.85 1.79 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.32 7.81 512 G 8.22 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 0.00 513 K 7.77 4.39 0.00 1.86 1.71 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.42 7.81 514 R 8.33 4.34 0.00 1.75 1.81 0.00 3.17 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 515 L 8.18 4.22 0.00 1.50 1.55 0.77 0.95 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 0.00 516 R 8.58 4.01 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 517 K 7.41 4.64 0.00 1.76 1.67 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.14 7.81 518 K 8.20 4.03 0.00 1.71 1.41 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.16 1.35 7.81 519 H 8.38 4.97 0.00 3.02 3.22 0.00 5.67 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 0.00 520 W 7.94 4.68 0.00 3.15 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 0.00 521 S 9.16 4.84 0.00 3.97 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 0.00 522 A 8.60 4.82 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 0.00 523 S 8.95 4.68 0.00 4.05 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 0.00 524 W 8.68 4.61 0.00 2.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.96 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 0.60 0.00 0.00 526 V 8.67 4.75 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 0.84 0.00 0.00 0.58 0.00 0.00 527 L 9.10 5.17 0.00 1.89 1.47 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 528 E 9.24 4.71 0.00 2.06 1.72 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 2.22 2.27 0.00 529 G 9.74 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 0.00 530 G 8.33 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 0.00 0.00 0.00 531 V 7.75 4.76 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 0.88 0.00 0.00 0.95 0.00 0.00 532 L 8.81 4.95 0.00 1.61 1.21 0.84 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 533 T 8.85 4.89 4.30 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 1.16 0.00 0.00 534 F 8.69 5.15 0.00 3.16 2.99 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 0.00 535 F 9.44 4.92 0.00 3.08 3.27 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 0.00 536 K 8.71 4.19 0.00 1.70 1.76 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 537 D 8.74 4.63 0.00 2.59 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 0.00 538 S 8.74 4.66 0.00 4.03 3.60 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 *545 G 8.36 3.65 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 0.00 0.00 0.00 546 L 8.47 4.40 0.00 1.64 1.63 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 547 R 8.79 4.61 0.00 1.82 1.76 0.00 3.30 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 548 Q 7.80 4.46 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 549 P 0.00 2.00 0.00 1.69 1.31 0.00 3.28 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 550 S 7.63 4.15 0.00 3.88 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 0.00 551 K 7.92 4.53 0.00 1.98 1.89 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.32 7.81 552 F 7.86 4.36 0.00 2.80 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 0.00 553 S 7.58 3.87 0.00 4.27 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 0.00 554 T 8.09 4.74 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 1.25 0.00 0.00 555 P 0.00 3.72 0.00 1.69 1.68 0.00 3.34 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.15 0.00 556 E 9.05 4.29 0.00 1.75 1.73 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 1.47 1.47 0.00 557 Y 7.84 5.24 0.00 3.08 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 0.00 558 T 8.75 4.95 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 1.18 0.00 0.00 559 V 8.64 4.32 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 0.99 0.00 0.00 0.44 0.00 0.00 560 E 8.83 4.37 0.00 1.96 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 2.36 2.32 0.00 561 L 8.95 4.11 0.00 1.78 1.68 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 562 R 7.89 3.97 0.00 1.76 1.86 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 563 G 9.00 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 0.00 0.00 0.00 564 A 7.80 4.74 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 0.00 565 T 8.83 4.70 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 1.21 0.00 0.00 566 L 8.48 5.33 0.00 1.57 1.50 0.90 0.83 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 0.00 567 S 8.83 4.68 0.00 3.93 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 0.00 568 W 8.69 4.76 0.00 3.21 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 0.00 569 A 9.18 4.45 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 0.00 570 P 0.00 4.46 0.00 2.26 2.23 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 571 K 8.84 4.07 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.08 7.81 572 D 8.08 4.58 0.00 2.77 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 0.00 573 K 7.90 4.44 0.00 2.20 1.93 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.45 1.31 7.81 574 S 7.09 4.73 0.00 3.94 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 0.00 575 S 8.65 4.45 0.00 4.01 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 0.00 576 R 7.62 4.12 0.00 1.64 1.60 0.00 2.21 0.00 0.00 2.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.00 577 K 8.19 4.13 0.00 1.85 1.72 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.40 7.81 578 N 8.60 4.33 0.00 3.18 3.14 0.00 0.00 6.69 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 0.00 579 V 7.66 4.73 2.26 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 1.35 0.00 0.00 1.11 0.00 0.00 580 L 9.13 4.98 0.00 1.51 1.35 0.66 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 581 E 9.25 4.98 0.00 1.99 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 0.00 2.20 2.20 0.00 582 L 9.10 5.19 0.00 1.80 1.63 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 583 R 9.10 5.13 0.00 1.84 1.79 0.00 3.28 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 0.00 584 S 9.06 4.88 0.00 4.03 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 0.00 585 R 8.42 3.97 0.00 1.94 2.29 0.00 3.03 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 586 D 8.08 4.46 0.00 2.93 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 0.00 587 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.67 0.00 3.92 3.65 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 0.00 589 E 8.47 5.14 0.00 1.65 1.64 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 2.15 2.32 0.00 590 Y 8.99 4.92 0.00 2.83 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 0.00 591 L 8.62 5.26 0.00 0.98 1.62 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 592 I 8.82 5.37 1.91 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 1.39 0.80 0.88 0.00 0.00 593 Q 9.21 5.07 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 594 H 8.44 4.87 0.00 3.17 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 D 8.49 4.39 0.00 2.63 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 0.00 596 S 8.30 4.42 0.00 3.99 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 0.00 597 E 9.05 4.00 0.00 2.08 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 2.44 2.43 0.00 598 A 8.07 4.05 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 0.00 599 I 7.58 3.80 1.67 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 1.38 1.52 0.97 0.00 0.00 600 I 8.14 3.94 2.05 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 1.94 1.68 1.21 0.00 0.00 601 S 8.41 4.31 0.00 4.16 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 0.00 602 T 7.75 3.81 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 0.93 0.00 0.00 603 W 8.12 4.05 0.00 3.45 3.25 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 0.00 604 H 8.73 4.12 0.00 3.24 3.54 0.00 5.62 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 0.00 605 K 8.13 3.74 0.00 1.84 1.98 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 606 A 7.81 3.89 1.20 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 0.00 607 I 8.18 3.68 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.15 0.92 0.00 0.00 608 A 8.01 3.97 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 0.00 609 Q 8.50 4.16 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 610 G 8.02 3.61 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 0.00 0.00 0.00 611 I 7.76 3.96 2.03 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 1.70 0.72 0.95 0.00 0.00 612 Q 7.76 4.23 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.