NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 432 F 4.0526 8.3093 122.7866 57.9314 40.5038 173.9423 433 Q 4.1313 5.9314 118.3877 54.9111 30.0043 172.1037 434 L 3.8730 9.2343 122.7421 54.1001 42.6011 178.3448 435 L 4.2126 7.8644 124.4311 54.1803 42.7242 175.4507 436 E 4.6739 8.5178 119.9195 53.7224 31.0161 173.6366 437 P 4.1390 0.0000 0.0000 63.2279 33.1610 175.0490 438 Y 4.6740 8.5907 124.7642 58.1718 37.8672 176.1501 439 N 4.6856 7.2668 109.0256 52.9917 39.0584 174.9892 440 I 4.1481 7.6582 119.2043 61.4209 37.9138 176.3881 441 K 4.3223 9.0693 127.7284 55.7745 32.0678 175.4576 442 A 4.3171 7.3811 118.2882 51.8214 21.8802 176.1825 443 N 4.6357 8.3852 117.2846 51.4353 38.6229 175.4123 444 L 4.1022 8.1418 124.4685 53.9568 42.2073 177.8916 445 R 4.0337 8.5755 123.3536 55.6490 31.1101 176.1265 446 P 4.2269 0.0000 0.0000 66.1733 31.3069 178.5213 447 Y 4.2619 8.1993 115.6292 60.0052 37.9351 177.8188 448 Q 4.0395 7.4316 119.7992 57.8377 28.4294 177.5808 449 I 4.3548 7.5639 119.8190 62.6615 37.4683 177.4017 450 K 4.2318 7.9414 118.6962 57.6429 32.6984 178.5370 451 G 3.8872 8.2141 105.4744 47.2207 0.0000 175.5749 452 F 4.5526 8.1011 122.0704 61.3725 39.8268 177.2645 453 S 3.6192 7.3593 113.1852 60.0814 62.6045 175.2738 454 W 4.7169 7.8637 131.0785 57.9084 31.1786 177.0673 *456 R 4.2528 7.9375 117.5704 55.9989 31.2564 176.8648 457 F 3.8832 7.8270 119.2439 59.8745 40.3423 176.3041 *459 N 4.8378 8.2270 117.6601 53.2458 40.1795 176.9204 460 K 3.8220 8.2691 116.5687 59.2667 32.1516 177.7597 461 L 4.2024 7.6227 116.9514 54.1895 41.7614 177.1644 462 G 3.8210 7.9684 106.2178 46.3171 0.0000 173.6259 463 F 4.6465 7.6072 114.9210 55.7496 43.6670 175.1534 464 G 4.5389 10.3087 112.2628 44.4771 0.0000 173.5387 465 I 4.8860 8.2928 120.0624 59.4157 41.3830 174.0254 466 C 5.6945 9.2460 121.4007 56.8696 34.7636 172.3026 467 L 4.8299 8.9302 129.0457 53.9037 42.9577 176.0897 468 A 5.5472 8.5788 128.2354 51.0037 19.8797 175.8530 469 D 4.7169 8.3953 117.9524 55.8900 43.1197 179.1228 470 D 4.7177 8.2401 124.9692 54.7643 39.2621 180.3261 *472 G 3.8835 9.0847 118.3681 46.0829 0.0000 173.4807 473 L 4.3671 7.7697 117.4091 53.7649 42.5652 176.0796 474 G 3.6354 7.9880 106.3620 46.3093 0.0000 175.3654 475 K 4.0988 8.0220 121.9028 59.1233 32.2715 178.5802 476 T 3.3662 7.6768 113.7586 66.7919 68.5447 175.2769 477 L 3.8359 7.7363 120.9239 58.4998 41.6179 178.4712 478 Q 3.8102 7.6486 117.3791 59.8572 28.7132 179.7520 479 T 3.7720 8.6199 116.4843 66.8314 68.4628 176.4951 480 I 3.6895 8.1112 121.6638 63.7348 37.1996 178.0636 481 A 3.7923 7.5693 121.3357 55.2594 18.0092 179.0392 482 V 3.8023 8.0621 116.7375 65.9196 31.4902 177.9542 483 F 4.3009 8.0842 116.9320 60.9093 38.8160 177.9255 484 S 4.2340 8.7999 112.6142 61.6595 62.3631 175.7879 485 D 4.1373 8.4236 120.3234 57.3173 41.0491 177.9387 486 A 4.1322 8.8861 121.5893 54.6808 18.1937 179.5571 487 K 3.9078 7.9676 118.8893 59.2970 32.1500 179.1378 488 K 3.7901 7.1736 117.3260 59.8384 32.4961 177.6215 489 E 4.1669 7.9129 115.6718 56.0327 29.1609 176.1333 490 N 4.3047 8.0288 115.3013 54.9065 36.4392 174.5981 491 E 4.6318 8.9226 114.7676 56.1617 29.7686 177.1049 492 L 4.3151 7.2972 120.8427 56.5374 43.0322 176.2640 493 T 4.0550 7.7882 113.1366 63.8454 69.3194 171.0150 494 P 5.3043 0.0000 0.0000 61.1077 34.1326 174.1440 495 S 5.4905 9.5951 119.1680 56.6821 66.6674 172.5604 496 L 4.7556 8.5176 123.8912 53.0367 44.7846 175.1843 497 V 4.4462 8.2745 125.0906 60.9437 34.5602 174.0228 498 I 4.5226 8.5958 129.0980 59.5715 39.6066 174.4102 499 C 5.2152 8.4609 121.2555 55.3952 33.4995 171.8713 500 P 4.7995 0.0000 0.0000 62.2361 31.8314 177.5470 501 L 3.9459 8.8327 123.3625 58.4600 42.1994 179.1137 502 S 4.1431 8.1840 113.2275 62.0571 62.8452 176.2169 503 V 4.6300 7.5653 110.4958 61.0924 31.9339 178.8673 504 L 4.1040 8.2172 122.6768 58.1254 41.4291 179.4519 505 K 4.0464 7.9102 117.2782 58.6496 31.3873 179.1190 506 N 4.3718 8.0222 116.9895 56.1258 38.5000 177.1238 507 W 3.9671 7.9298 120.2621 59.7823 29.2703 178.0164 508 E 3.6269 8.1419 118.4704 59.7693 28.9466 179.4271 509 E 3.9305 8.5390 118.1734 59.7780 29.6604 179.4707 510 E 3.6944 8.4013 118.6229 59.4060 29.3711 179.2352 511 L 4.0780 8.7127 120.0019 57.9124 41.5098 179.6873 512 S 4.3226 8.1698 113.8049 61.0490 62.9539 176.0899 513 K 4.0085 7.6586 122.7165 59.0730 32.3609 178.2657 514 F 4.8400 7.8425 116.9001 58.5515 40.2875 175.3982 515 A 4.9502 8.4271 121.4921 49.5702 18.9414 174.5732 516 P 4.4006 0.0000 0.0000 65.2891 32.0646 178.3216 517 H 4.4350 8.2575 111.6851 57.1649 28.8102 175.0290 518 L 4.6145 7.7512 121.4464 53.5450 42.8087 175.7048 519 R 4.5658 9.5282 125.0626 55.3344 31.1588 175.1217 520 F 6.2036 8.6720 119.8867 54.1313 41.7762 173.7068 521 A 4.5997 8.4242 119.4400 50.1608 22.5043 174.9616 522 V 4.2115 8.4822 121.3377 61.7316 32.6649 176.4042 523 F 4.7558 8.8985 132.7226 57.2119 37.0389 173.2019 524 H 4.7017 8.3500 119.2105 56.5970 32.0426 173.0910 525 E 4.5677 7.5625 115.7885 55.2487 33.1047 174.8059 526 D 4.3430 8.5329 117.9012 55.5331 38.5068 175.5785 527 R 3.9063 7.8157 114.3371 57.5805 30.0189 177.7280 528 S 4.4725 7.7378 112.2841 59.3186 62.8996 174.4296 529 K 4.4091 8.0420 118.1490 56.4386 31.8548 176.1349 530 I 4.4992 7.6554 120.3766 59.4026 39.0902 175.0121 531 K 4.4410 8.7971 125.4434 54.5395 32.3923 175.7923 532 L 3.5804 8.4778 122.9217 57.8895 41.7367 179.6081 533 E 3.7676 7.8819 124.6682 59.5096 30.7098 178.2265 534 D 4.7262 8.0849 118.8786 54.1848 40.7641 175.5186 535 Y 4.8111 7.5518 115.4898 56.1828 42.0967 175.1847 536 D 4.6897 9.0228 123.2786 56.6277 42.0099 176.5078 537 I 5.2118 7.9192 117.3367 59.4770 41.7209 174.5835 538 I 4.9606 8.3943 124.3666 59.6918 41.0824 174.2025 539 L 4.7405 8.8012 127.3572 53.8220 43.6928 176.0448 540 T 5.1107 8.4783 120.0888 62.3977 73.3423 172.4122 541 T 5.3599 8.0748 116.4484 61.0201 71.6999 175.0382 542 Y 3.9139 8.8332 122.7607 61.3194 37.9691 178.8333 543 A 4.1963 8.1557 120.8773 55.5209 18.4909 179.8068 544 V 3.5519 7.7079 115.9290 65.9204 31.4102 177.7658 545 L 3.9937 7.9262 119.6107 57.8530 42.0049 178.2353 546 L 4.3937 7.5260 116.4587 55.7056 41.7548 177.2477 547 R 4.6997 8.0082 118.5013 54.2585 30.1888 175.5219 548 D 4.4763 7.9305 116.5157 53.0074 43.9451 174.7137 549 T 4.2607 8.6488 125.0527 66.4404 68.4383 176.6951 550 R 3.9517 7.8205 119.0106 59.5295 30.1847 178.5471 551 L 4.3670 7.8333 117.3521 58.2726 41.5181 179.6063 552 K 4.0730 7.3741 117.8464 58.6506 32.9615 176.4938 553 E 4.6731 7.7944 117.8210 55.9654 29.6247 175.5140 554 V 4.0173 7.3039 116.4230 60.8506 34.7174 174.9505 555 E 4.2286 7.8067 124.2791 55.0082 28.8674 174.5088 556 W 4.6069 8.4068 124.3876 55.7466 30.4679 176.6231 557 K 4.0359 9.3787 126.3220 57.9953 31.6660 175.9469 558 Y 5.2300 9.3231 117.7856 56.7936 41.4756 175.0217 559 I 4.8478 8.8596 122.6703 60.2403 41.4704 174.1414 560 V 4.8415 8.7984 128.5952 61.1930 33.6959 174.6027 561 I 4.4293 8.5481 129.7622 60.1294 38.1633 174.2550 562 D 4.8182 8.9989 128.8255 53.3171 42.1605 175.8087 563 E 3.6890 8.8699 126.2246 56.6734 27.0207 174.6309 564 A 4.1449 8.6794 123.1777 54.6100 19.3959 179.1468 565 Q 4.0765 8.2806 113.9084 59.4106 28.3618 178.9539 566 N 4.4470 7.6691 111.9482 53.8155 37.4980 175.4460 567 I 4.6206 8.0001 116.0071 60.6644 39.6350 176.7299 568 K 3.7962 7.7662 118.6684 60.0746 32.3642 176.4750 569 N 4.3033 7.8690 125.3824 52.5040 37.9257 173.9105 570 P 3.4584 0.0000 0.0000 64.0514 31.3905 177.3297 571 Q 4.0313 8.4090 122.9342 59.0461 29.1179 177.0879 *572 T 4.1104 8.3495 114.4218 63.1858 70.2604 179.4838 573 K 4.1880 8.4831 118.1774 60.1584 32.3018 179.7820 574 I 3.3076 7.7752 119.7451 63.8945 36.9292 178.1311 575 F 4.0398 8.1836 121.3689 61.1756 39.2542 176.7506 576 K 3.8264 7.7758 117.5796 59.8670 31.7385 178.9821 577 A 3.9752 8.6639 120.5938 55.2740 18.4243 179.4562 578 V 3.6843 7.8777 116.8344 65.6135 31.3847 178.2332 579 K 3.9901 7.7118 118.9749 58.9347 32.0768 177.7438 580 E 4.1260 7.5869 117.2322 56.3938 29.8463 176.5531 581 L 4.4113 6.9942 117.8697 55.0199 42.8052 175.9781 582 K 4.7201 8.6169 120.6852 54.9431 33.9661 175.6180 583 S 4.9620 8.3051 118.7851 56.8848 65.4786 173.9848 584 K 3.7875 8.6259 123.9431 58.4631 32.8733 176.5953 585 Y 4.9093 8.2398 116.6729 56.2024 42.1540 174.8444 586 R 5.4275 8.6715 120.6141 54.8445 34.7466 175.0546 587 I 4.9077 8.7702 121.0881 60.2937 42.0168 173.6803 588 A 5.2190 9.0947 129.7687 50.3436 21.1597 175.1291 589 L 5.2966 8.8989 123.4357 53.7343 44.0010 175.9032 590 T 4.8495 8.9224 117.1993 60.8900 71.0046 174.6142 591 G 3.6626 8.5536 114.3745 47.8086 0.0000 174.9007 592 T 4.2280 7.5625 112.8579 60.2333 68.2367 172.0148 593 P 4.4608 0.0000 0.0000 62.6664 32.0251 176.7781 594 I 4.1517 7.9127 121.3320 63.1222 37.7196 177.7524 595 E 4.1099 8.3229 118.6045 58.4639 29.3414 176.8537 596 N 5.0532 8.0992 114.8696 52.8968 40.2626 174.5691 597 K 4.6024 7.9355 117.1842 53.4816 32.7330 176.5888 598 V 3.7492 8.1947 123.0443 66.1479 32.0474 177.8682 599 D 4.7516 8.3877 117.3986 57.7144 40.4350 178.2682 600 D 4.5503 8.3388 118.7947 56.7979 40.4800 178.4857 601 L 4.0091 7.3850 118.5322 58.4161 41.7964 178.6264 602 W 3.7590 8.3013 125.2305 60.7120 30.4565 177.2110 603 S 4.0398 8.1661 112.6759 61.7674 62.2496 177.0769 604 I 3.8135 7.0624 120.5661 62.0990 36.9393 177.6986 *606 T 3.9601 7.8727 117.3661 61.8770 68.7662 175.8308 607 F 4.0551 8.4369 123.2114 61.0180 39.9127 176.3504 608 L 3.8660 7.9881 120.2788 57.3942 41.5522 176.5398 609 N 4.8881 7.4284 117.4305 50.3015 39.9681 170.7225 610 P 4.4351 0.0000 0.0000 63.4116 32.2159 174.8607 611 G 4.2847 9.5089 110.6258 46.2138 0.0000 175.6780 612 L 3.3424 7.0152 120.2936 57.4254 42.3285 177.5014 613 L 5.1239 7.6602 115.2409 53.9417 44.2591 177.8655 614 G 4.1208 9.2359 108.8543 47.2408 0.0000 175.1703 615 S 5.1945 8.5739 117.4148 56.5818 66.6513 174.4302 616 Y 2.0000 7.5051 123.6355 60.2789 37.8520 178.9442 617 S 3.7439 7.5507 112.7683 60.9857 62.9314 175.0649 618 E 3.9867 8.4221 122.3195 59.2547 29.2789 178.1888 619 F 4.1973 8.9520 121.7386 61.5979 39.4489 176.8889 620 K 3.4735 7.6710 118.7698 58.1311 32.2185 176.9194 621 S 4.9755 7.1942 113.0642 56.4993 62.8176 174.1175 622 K 4.3086 7.1425 116.2335 58.0815 38.7329 176.3737 623 F 4.7568 7.6685 116.2718 57.8800 42.4450 176.3401 624 A 3.7511 7.4290 118.3405 55.7987 17.5868 179.1352 625 T 3.7730 6.3108 115.0161 65.3663 69.2237 173.7197 626 P 4.3486 0.0000 0.0000 65.8324 31.4471 178.1525 627 I 3.8567 8.6762 118.2079 64.3687 37.4682 177.9732 628 K 4.0716 8.5491 120.5851 59.5048 31.7246 178.4997 629 K 4.3572 8.3834 115.7606 55.8268 31.9853 173.1368 630 G 3.7194 9.2828 112.9974 45.3518 0.0000 172.9023 631 D 4.6120 8.1218 122.4133 53.1290 44.2562 175.0815 632 N 4.8077 8.3293 122.1773 53.2926 39.2768 177.2755 *634 A 4.3818 7.8588 120.7514 52.2978 20.3961 179.4844 635 K 3.8681 7.9252 113.6638 59.6906 32.0975 179.6645 636 E 4.0027 8.5160 118.1718 59.5904 29.5728 179.3348 637 E 3.9915 8.3845 119.2121 58.6756 29.7642 177.9604 638 L 3.2750 8.3531 120.5148 58.0665 42.0295 179.0411 639 K 3.8241 8.8044 119.9360 59.7334 31.9327 178.2183 640 A 3.9073 7.7965 119.6342 55.6676 18.2709 179.4159 641 I 3.9332 7.8245 117.1836 63.8608 37.3532 178.1967 642 I 4.3242 7.6793 120.5186 64.4434 37.0929 178.7510 643 S 3.6559 8.6188 116.4611 61.0762 62.7586 174.5235 644 P 4.4021 0.0000 0.0000 63.6505 31.5299 176.1827 645 F 5.2317 8.8187 118.2746 57.4582 41.1719 174.6902 646 I 5.0599 7.6953 119.2834 59.4557 38.9858 174.7105 647 L 4.4141 8.4842 129.3085 52.9650 44.2328 175.1456 648 R 4.8645 8.2546 125.2992 54.9231 33.2673 174.3421 649 R 4.9303 8.9603 124.0875 53.5011 33.8971 175.3425 650 T 4.2136 8.5965 114.7431 60.8864 69.6062 175.4129 651 K 3.9072 8.7301 120.9245 58.9394 32.6382 177.3678 652 Y 4.4896 7.4707 116.3651 57.5619 38.2950 175.4011 653 D 4.4213 7.8331 122.3611 54.3076 41.3593 177.0723 654 K 3.8149 9.0732 124.3513 59.8050 32.3458 177.5636 655 A 4.0993 8.0533 119.5839 55.0473 18.1828 178.0990 656 I 4.1583 7.3583 113.1839 61.1656 39.4164 177.1606 657 I 3.5038 7.8250 121.2268 64.6693 36.9080 176.3063 658 N 4.7547 8.0082 113.4211 53.3010 38.8068 175.0174 659 D 4.7283 8.0193 119.1756 55.3122 42.3485 177.4320 660 L 4.1976 7.7385 117.6680 53.9338 41.4473 175.1649 661 P 4.4948 0.0000 0.0000 62.6653 31.6490 176.9467 662 D 4.5371 8.5724 119.0121 55.2129 40.8286 175.2947 663 K 4.8864 7.5240 117.1694 54.7013 34.4050 175.2275 664 I 4.4575 8.9399 129.3295 59.4156 39.6634 174.3285 665 E 5.8995 9.0962 127.8791 53.8359 31.5345 174.8979 666 T 4.6865 8.4684 116.7752 60.0926 72.4330 172.7722 667 N 5.0803 8.5094 119.7788 51.6461 40.4273 174.6458 668 V 3.9425 8.2917 125.5147 61.7901 32.7336 174.4829 669 Y 4.6512 8.3693 126.5401 57.8470 38.7818 174.8876 670 C 4.9771 9.1578 121.5692 58.0505 31.8813 172.7561 671 N 5.2199 8.5608 118.9204 51.5775 40.9571 174.4760 672 L 4.6891 8.3120 121.8895 54.3494 42.9490 177.7414 673 T 4.2322 8.6434 112.8103 60.7970 70.8058 174.0217 674 P 4.2023 0.0000 0.0000 65.8811 31.6567 178.2688 675 E 4.0679 8.1243 117.3539 59.5188 29.4699 178.5666 676 Q 4.0334 8.0085 116.4652 59.1911 29.1585 178.8321 677 A 4.2102 8.4445 121.5625 54.7942 18.2369 179.1945 678 A 4.0897 7.6661 115.8265 54.3416 17.9514 178.3743 *680 Y 4.4253 7.9194 120.1546 57.3329 41.3284 177.0416 681 K 4.0147 8.9040 118.1395 59.7450 32.3164 178.8597 682 A 3.9690 8.4889 120.0034 55.3713 18.4500 179.2860 683 E 4.0163 7.9625 115.0081 59.9291 29.8903 178.9406 684 V 3.7549 7.8826 118.2828 65.5453 32.3085 176.0126 685 E 4.7563 8.3220 124.5193 54.5920 26.7547 174.6705 686 N 4.5966 7.9432 129.5983 53.9000 41.9198 176.4056 687 L 4.1023 7.8400 120.4562 57.8008 42.2722 177.2416 688 F 4.7316 8.2614 115.6618 58.0064 39.0346 175.7117 689 N 5.1066 8.1586 115.9887 52.6523 40.8550 174.9764 690 N 4.8559 7.7111 110.7248 53.6629 40.4616 176.1899 691 I 3.5424 8.2794 118.7930 64.2198 38.1264 177.4519 692 D 4.4946 8.1007 118.7198 57.3324 40.7401 177.6713 693 S 4.1111 7.8462 112.9588 61.1954 62.9897 175.7881 694 V 4.0081 6.7912 111.4861 60.0283 32.9519 174.2775 695 T 4.1132 8.2151 113.9017 62.7823 70.6127 174.5102 696 G 3.7926 8.1516 110.8897 46.4884 0.0000 176.1808 697 I 3.6446 8.4986 121.0010 64.4947 36.8451 177.8033 698 K 4.0255 7.9070 118.1935 58.8982 32.1256 178.4942 699 R 3.9465 7.4924 118.7809 59.0568 30.0929 177.9539 700 K 4.1505 7.9608 117.8329 59.3874 32.5819 180.1196 701 G 3.6628 7.7075 103.1188 45.4506 0.0000 175.0082 *703 I 4.0821 7.7983 122.8848 60.7100 39.5552 178.2417 704 L 3.9809 7.7617 121.0019 57.6292 41.3984 179.3936 705 S 4.1385 7.8720 113.7807 61.7296 63.3298 176.2097 706 T 3.2868 7.8064 116.2452 64.4042 66.9655 175.7867 707 L 3.9013 7.5454 122.7353 57.8681 42.2550 178.5326 708 L 4.0130 8.2472 120.6516 58.1608 42.0229 179.0996 709 K 3.9672 8.9377 119.6006 59.2661 32.0825 179.1929 710 L 3.8772 7.6993 118.8693 57.8590 41.4665 179.6600 711 K 4.2329 8.0967 116.0163 58.6119 32.2462 178.2042 712 Q 4.1219 7.3962 117.5267 57.6738 29.4090 177.8187 713 I 3.7581 7.7251 119.8370 64.3509 37.1474 178.4901 714 V 3.9314 7.6873 112.1512 63.8359 31.4968 178.1703 715 D 4.8053 8.1030 117.8783 55.0525 41.4547 176.2128 716 H 4.6847 7.8274 119.6689 53.8914 33.9582 173.1120 717 P 4.3024 0.0000 0.0000 66.1610 30.9138 178.1659 718 A 4.4710 8.0024 120.5347 53.7443 18.0043 179.1902 719 L 3.9339 7.7366 117.1379 56.8279 41.6779 177.8303 720 L 4.5437 7.8171 116.3813 54.6802 43.6814 177.0951 721 K 4.2934 8.1920 115.8518 55.0651 33.6794 178.2370 722 G 3.6202 8.5843 108.4237 46.4209 0.0000 173.9140 723 G 3.9705 8.6355 106.3231 44.3975 0.0000 172.4108 724 E 3.7557 8.5581 118.2821 57.1652 29.8229 178.0457 725 Q 4.2562 8.4177 128.0599 54.5661 27.7322 175.2003 726 S 4.6795 7.5447 115.7428 56.6617 65.2938 176.5484 727 V 3.7771 8.1952 121.0239 65.7094 31.5903 178.4906 728 R 4.0898 7.8997 115.4274 58.8338 29.5977 178.0582 729 R 4.0153 7.5491 115.8609 57.8290 30.2642 176.5539 730 S 4.7334 7.2732 110.8391 55.9128 64.8690 174.1035 731 G 4.2900 8.8068 115.7510 48.3449 0.0000 176.9434 732 K 3.7340 7.5881 118.0178 56.4003 31.2527 179.2946 *734 I 4.1408 7.8684 119.6067 61.6699 39.1935 177.4980 735 R 4.2084 7.9728 118.7730 59.9004 30.0468 179.9580 736 T 4.0055 8.3872 114.3920 64.4078 69.2487 175.8803 *738 E 4.2681 8.3614 122.5711 56.7152 31.6366 178.2704 739 I 3.7445 7.8897 119.3714 64.4189 37.0560 178.2755 740 I 3.7990 8.1646 120.7518 64.7341 36.7962 177.8109 741 E 3.9616 7.6135 118.0245 59.6326 29.7169 178.1619 742 E 4.0036 8.2571 118.8889 58.7623 29.4971 178.1599 743 A 4.1759 7.9578 120.4401 55.6917 18.7567 179.1093 744 L 4.0971 8.2731 117.2094 57.9679 41.3347 179.3565 745 D 4.9371 8.6137 117.1968 53.6237 42.2327 176.7382 746 E 4.7089 8.9657 111.4176 61.2179 31.3318 177.8315 747 G 3.8084 7.4100 103.6703 47.5403 0.0000 173.8166 748 D 4.6163 7.8355 121.3617 53.8574 41.7867 176.6769 749 K 4.6189 9.9224 121.2202 55.0430 34.3558 175.5882 750 I 5.1476 8.6635 126.3014 59.2861 39.6438 175.1906 751 A 4.8041 8.4623 126.2545 50.3538 22.0788 174.6534 752 I 4.8711 8.5899 124.2668 60.2240 39.3940 175.2431 753 F 5.0129 9.4736 126.1173 56.4941 41.7474 174.9007 754 T 5.4190 8.3353 114.7512 62.0074 70.7124 174.3378 755 Q 4.1871 9.8879 126.7787 57.3082 29.1066 175.7665 756 F 4.9242 7.3319 117.4771 55.4656 41.1986 175.1772 757 V 4.2625 8.7775 125.3729 65.6800 31.5577 178.6188 758 D 4.4182 8.2888 118.0962 54.7368 40.7724 178.7031 *760 G 3.4199 8.2940 109.5578 45.4542 0.0000 176.2320 761 K 3.5120 7.7228 119.9280 58.8390 31.9389 179.5308 762 I 3.5361 7.3765 119.9348 64.3393 37.0527 178.4268 763 I 3.4447 7.2797 119.9248 64.3048 36.8601 178.1207 764 R 3.6574 7.3908 119.2573 59.4460 29.8437 177.9398 765 N 4.1874 8.1503 116.3662 56.4973 38.5116 177.1865 766 I 3.6241 7.9719 121.0773 64.5689 37.2169 178.2905 767 I 3.4783 7.5651 120.1973 64.4489 36.9448 177.9085 768 E 4.0419 8.0685 120.6103 58.6924 29.1676 179.5021 769 K 3.8496 7.7219 117.4824 59.6992 32.4027 178.2106 770 E 4.0863 8.2123 117.7854 59.1176 29.5820 178.7244 771 L 4.3164 7.9182 115.7363 53.5402 43.0087 175.7513 772 N 4.1439 7.9289 116.9001 55.1085 37.9989 171.8858 773 T 4.6908 7.2655 110.5958 60.0526 71.3473 170.9836 774 E 4.4197 8.5909 123.8631 54.9106 30.5030 175.6455 775 V 4.5215 8.7708 126.2241 59.9636 32.9390 172.9309 776 P 4.5895 0.0000 0.0000 62.5860 32.7926 175.0124 777 F 5.5788 8.6990 122.8986 56.5160 42.4072 173.3357 778 L 4.5993 9.2951 128.4276 53.3063 44.2633 174.7163 779 Y 4.7885 6.7913 122.5843 54.3807 41.6905 174.7338 780 G 3.4658 9.3518 104.6546 49.9251 0.0000 174.9100 781 E 4.0360 8.1647 121.1727 58.4214 30.1265 178.5539 782 L 3.8288 6.0623 116.6887 54.7528 42.4219 177.5144 783 S 4.2187 9.7326 117.8812 57.7840 63.9443 175.4000 784 K 3.8364 8.6887 122.1277 59.8982 31.4322 179.3486 785 K 4.0000 7.5556 119.0220 59.0889 32.3684 178.6910 786 E 4.0375 8.5694 119.3877 60.1393 29.4612 178.5124 787 R 3.6348 8.0745 116.0799 60.2300 29.5476 177.9216 788 D 4.6068 8.3637 119.1883 57.4311 40.9432 179.0818 789 D 4.2461 7.9988 119.7714 57.0193 40.8424 178.7388 790 I 3.7739 8.0866 120.7188 64.6054 37.0621 178.5744 791 I 3.8280 7.8495 119.8685 64.2697 36.8253 178.1428 792 S 4.1910 7.7012 113.9706 60.8870 62.2679 175.9873 793 K 4.0436 7.8230 122.4223 59.0669 31.6683 178.7160 794 F 4.4637 8.3338 120.8086 61.4182 39.5365 176.7609 795 Q 3.8625 7.6975 115.0516 57.9467 28.8415 176.7664 796 N 4.7626 7.9031 117.1081 53.0416 39.6515 174.5826 797 N 4.6113 7.8379 120.1264 51.8514 39.3055 173.4817 798 P 4.2390 0.0000 0.0000 65.9677 31.6777 178.0762 799 S 4.1463 8.9076 113.6637 61.2240 62.8098 174.4135 800 V 3.8249 7.6465 120.1397 63.4209 30.2098 175.2895 801 K 4.4056 8.6599 126.1527 56.4694 33.5688 175.6967 802 F 5.5443 7.8121 117.0617 54.6898 43.4489 173.8204 803 I 4.0882 7.5823 114.4976 60.4717 41.0062 172.5967 804 V 4.7188 8.1424 128.7699 61.0233 34.4759 174.1042 805 L 5.2529 9.0165 126.8989 53.1736 45.3066 175.6143 806 S 5.2750 9.2667 117.8226 55.2872 63.3385 172.7410 807 V 4.7308 7.9514 116.4305 59.6727 36.2807 173.6083 808 K 4.9348 8.8486 120.9054 54.5443 34.3228 176.2554 809 A 4.2632 9.0348 126.9020 52.1050 19.1597 177.9194 *811 G 3.5220 8.3335 111.6350 44.9992 0.0000 171.7753 812 F 5.0448 7.6721 116.8840 56.1423 43.2373 175.4010 813 G 3.9574 8.6067 110.3220 44.0898 0.0000 171.5482 814 I 4.4020 7.7042 126.0280 59.4974 39.2372 174.8601 815 N 4.7491 8.7143 124.1098 52.3340 38.1924 173.4087 816 L 4.9218 8.2666 124.3998 54.3664 42.2518 178.8306 817 T 3.9796 8.2120 111.0467 64.4875 68.3613 174.8073 818 S 4.2107 7.9859 116.1245 59.4337 63.3844 173.8776 819 A 4.5566 8.3693 125.4139 51.9227 18.7196 176.7007 820 N 4.8217 8.7367 120.5811 53.0620 40.0384 174.8079 821 R 5.1129 7.9863 119.9038 54.3575 33.2209 174.5554 822 V 4.9818 8.9832 125.2278 61.2243 35.5792 173.9461 823 I 5.0286 9.2051 127.5445 60.0228 40.6422 174.2448 824 H 5.4798 9.0683 125.0376 54.4677 29.1587 175.3571 825 F 4.1228 9.5293 126.7485 60.7454 39.3436 174.4905 826 D 5.1518 8.4452 115.3914 51.3731 42.4495 175.2029 827 R 3.7556 8.1283 119.9288 54.7871 28.0573 175.5014 828 W 4.3934 7.9879 116.1623 55.8164 29.3630 177.0526 829 W 3.9902 5.9509 116.7421 54.0843 29.0461 175.2557 830 N 4.0521 8.5340 120.2134 53.0687 37.9101 171.8460 831 P 4.2294 0.0000 0.0000 63.2169 31.2700 176.4206 *835 D 4.3308 8.6214 122.3432 54.2151 42.9400 177.6919 836 Q 3.6338 7.8325 116.3571 57.9608 28.7996 177.6943 837 A 4.3602 7.8002 119.1436 53.4620 19.4669 178.5800 838 T 4.3953 8.8073 113.8778 65.7061 69.3299 176.8676 839 D 4.5166 7.9228 120.3003 57.4531 40.6881 178.8383 840 R 4.2110 7.8012 118.6480 58.2562 30.0748 178.7935 841 V 3.6518 7.4899 117.7962 64.5664 31.4249 175.4088 842 Y 5.0109 7.6195 114.5090 56.0455 40.5383 175.4554 843 R 4.7444 8.2298 118.6690 55.2724 29.5521 176.7214 844 I 3.8363 7.7813 121.6437 64.9707 38.0645 178.8476 845 G 3.5604 8.3776 107.6622 49.0071 0.0000 179.0027 846 Q 2.6613 6.5634 117.6373 55.7827 32.1936 175.4376 847 T 4.5480 7.7175 120.7899 63.4520 70.5723 174.9424 848 R 4.5832 7.6312 115.2949 54.4171 31.8345 174.2110 849 N 4.5134 8.7072 117.4992 54.4358 39.3458 174.4115 850 V 4.6657 9.3803 122.4689 61.3976 35.5835 173.8539 851 I 4.7243 8.8741 128.3358 59.6736 39.5318 174.6795 852 V 4.5889 9.3907 128.3458 61.5402 33.3669 173.9502 853 H 5.0788 9.0727 126.9363 54.7851 30.4406 174.4402 854 K 4.7691 8.8727 125.1263 54.4876 34.1631 174.9207 855 L 4.7392 8.3903 128.8985 54.4570 42.4456 176.8978 856 I 4.8311 8.5120 117.1399 59.0998 40.9754 174.6303 857 S 4.7184 10.0883 124.5580 57.8554 63.7138 174.2040 858 V 3.8087 8.9112 126.4757 64.2598 31.8432 176.2283 859 G 3.9904 9.4886 116.0599 46.2438 0.0000 173.8599 860 T 3.8993 7.0720 110.4350 60.8799 71.9381 174.4759 861 L 4.5206 8.2326 121.4058 57.6636 39.9327 178.6475 862 E 4.0259 8.0443 120.7031 59.2603 29.4847 178.4901 863 E 4.2305 8.1163 118.7136 58.9589 29.8381 178.5389 864 K 4.1334 7.5621 116.8129 59.3084 32.2421 179.0636 865 I 4.1482 7.9776 120.0047 63.8150 37.0288 178.1170 866 D 4.4985 7.7013 117.1364 57.2504 40.5614 178.2559 867 Q 4.2095 7.7845 114.7853 57.4534 28.8479 177.2540 868 L 4.7820 7.6353 119.1880 55.1100 44.5045 178.6542 869 L 4.1895 7.8366 117.8938 56.9359 40.6968 177.7512 870 A 4.4037 8.6631 120.6234 52.7991 19.4473 178.8914 871 F 4.2761 7.8100 116.5939 59.6340 39.5901 175.2254 872 K 4.2367 6.2698 118.8990 56.5406 35.3588 173.6760 873 R 5.2096 8.5622 120.7867 55.1501 31.5325 176.4242 874 S 4.6505 8.4209 113.0506 58.3991 65.0429 174.3872 875 L 4.7852 8.0560 116.6871 53.8587 43.9292 176.5420 876 F 4.4713 7.5764 117.3858 53.6874 38.8051 173.5524 877 K 4.1771 7.3756 125.6576 56.8745 37.5639 176.0320 878 D 4.3908 7.7763 118.7744 56.3154 40.0208 178.0269 879 I 3.9768 7.3955 119.5550 61.6331 38.3777 176.9531 880 I 3.8300 7.3540 118.7276 63.4303 38.0538 176.7756 881 S 4.5354 7.3401 113.7582 60.8183 62.9105 175.2766 882 S 4.5000 7.8835 118.6478 58.2788 62.2770 174.1233 883 G 3.9378 7.6337 113.6462 47.7311 0.0000 174.6002 884 D 4.9108 8.4444 122.9832 53.6970 41.6917 176.9826 885 S 4.1299 7.7671 115.3188 61.3216 62.3413 176.1064 886 W 4.3659 8.3426 118.7048 59.5857 27.4436 178.0818 887 I 2.8755 7.1455 121.2353 63.4170 36.2614 177.5731 888 T 4.0163 7.4852 108.5566 63.0758 68.7612 175.1588 889 E 4.5472 7.2051 119.0937 56.5541 31.2690 177.0973 890 L 3.1386 7.1505 111.2360 55.4217 41.9938 177.1107 891 S 5.5731 8.9376 124.4907 58.5504 65.5873 177.3020 892 T 3.7025 8.1040 125.5002 66.8562 68.1175 175.6451 893 E 4.0563 8.1776 120.5998 59.4448 29.9010 178.5189 894 E 4.0259 7.9976 118.7900 59.2445 29.3986 179.0574 895 L 4.0019 8.8443 121.4868 58.1043 42.2139 179.0292 896 R 3.8260 8.0005 118.7776 59.4415 29.7829 178.7376 897 K 4.0262 7.6675 117.4057 59.1674 31.8789 179.3717 898 V 3.8141 7.9270 118.9533 65.7762 31.3702 177.8637 899 I 4.0673 7.8892 111.2070 61.8284 38.4538 176.1370 900 E 4.0751 7.5325 120.8411 55.6018 30.0156 175.8775 901 L 4.1875 8.7122 127.8399 55.6865 42.5071 176.5487 902 S 4.6907 8.7023 123.0074 57.2757 65.2769 174.5644 903 V 3.9512 8.0654 119.7858 63.1615 31.0080 175.5319 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 432 F 8.31 4.05 0.00 2.42 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 Q 5.93 4.13 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 1.85 2.29 0.00 434 L 9.23 3.87 0.00 1.63 1.64 0.97 1.15 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 0.00 435 L 7.86 4.21 0.00 1.48 1.65 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 436 E 8.52 4.67 0.00 1.94 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 2.23 2.40 0.00 437 P 0.00 4.14 0.00 2.02 1.82 0.00 3.78 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 1.99 2.03 0.00 438 Y 8.59 4.67 0.00 2.92 2.21 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 0.00 439 N 7.27 4.69 0.00 2.53 2.70 0.00 0.00 7.04 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 0.00 440 I 7.66 4.15 1.78 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.86 0.00 0.00 441 K 9.07 4.32 0.00 1.87 2.01 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.47 7.81 442 A 7.38 4.32 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 0.00 443 N 8.39 4.64 0.00 2.64 2.75 0.00 0.00 6.94 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 0.00 444 L 8.14 4.10 0.00 1.49 1.46 0.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 445 R 8.58 4.03 0.00 1.47 1.89 0.00 3.56 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 446 P 0.00 4.23 0.00 2.25 2.16 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 447 Y 8.20 4.26 0.00 3.25 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 0.00 448 Q 7.43 4.04 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 449 I 7.56 4.35 2.01 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 1.68 0.87 1.00 0.00 0.00 450 K 7.94 4.23 0.00 1.89 1.97 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.79 7.81 451 G 8.21 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 0.00 0.00 0.00 452 F 8.10 4.55 0.00 2.93 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 S 7.36 3.62 0.00 3.62 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.86 4.72 0.00 3.62 3.48 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 0.00 0.00 0.00 *456 R 7.94 4.25 0.00 1.97 1.78 0.00 3.36 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 457 F 7.83 3.88 0.00 3.02 3.29 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 0.00 *459 N 8.23 4.84 0.00 2.83 2.38 0.00 0.00 7.06 7.69 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 0.00 460 K 8.27 3.82 0.00 1.66 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 461 L 7.62 4.20 0.00 1.44 1.76 0.23 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 462 G 7.97 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 0.00 0.00 0.00 0.00 463 F 7.61 4.65 0.00 2.93 2.84 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 0.00 464 G 10.31 4.54 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 0.00 0.00 0.00 465 I 8.29 4.89 1.93 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 0.93 0.48 0.62 0.00 0.00 466 C 9.25 5.69 0.00 3.15 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 0.00 467 L 8.93 4.83 0.00 2.04 1.69 1.23 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 494 P 0.00 5.30 0.00 2.16 2.13 0.00 3.60 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 1.84 1.74 0.00 495 S 9.60 5.49 0.00 3.40 3.77 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 0.00 496 L 8.52 4.76 0.00 0.27 0.34 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 497 V 8.27 4.45 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 -0.27 0.00 0.00 0.66 0.00 0.00 498 I 8.60 4.52 1.36 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.24 -0.04 0.00 0.00 499 C 8.46 5.22 0.00 3.17 2.98 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 0.00 500 P 0.00 4.80 0.00 2.33 2.12 0.00 3.82 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 501 L 8.83 3.95 0.00 1.75 1.72 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.85 1.81 1.02 1.28 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 0.00 519 R 9.53 4.57 0.00 1.98 1.86 0.00 3.00 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 520 F 8.67 6.20 0.00 3.02 3.05 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 0.00 521 A 8.42 4.60 -0.02 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 0.00 522 V 8.48 4.21 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 0.82 0.00 0.00 1.15 0.00 0.00 523 F 8.90 4.76 0.00 2.91 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 0.00 524 H 8.35 4.70 0.00 3.02 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 E 7.56 4.57 0.00 1.88 1.70 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 1.96 2.16 0.00 526 D 8.53 4.34 0.00 2.86 2.67 0.00 0.00 0.00 0.00 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0.00 0.00 543 A 8.16 4.20 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 0.00 544 V 7.71 3.55 2.22 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 1.20 0.00 0.00 0.92 0.00 0.00 545 L 7.93 3.99 0.00 1.61 1.69 0.79 0.88 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 0.00 546 L 7.53 4.39 0.00 1.82 1.73 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 547 R 8.01 4.70 0.00 1.73 1.86 0.00 3.20 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 548 D 7.93 4.48 0.00 2.75 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 0.00 549 T 8.65 4.26 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 1.27 0.00 0.00 550 R 7.82 3.95 0.00 2.01 2.08 0.00 3.28 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 551 L 7.83 4.37 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.97 1.00 0.00 0.00 560 V 8.80 4.84 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 0.92 0.00 0.00 1.06 0.00 0.00 561 I 8.55 4.43 1.79 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.01 0.97 0.00 0.00 562 D 9.00 4.82 0.00 2.85 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 0.00 563 E 8.87 3.69 0.00 2.40 2.20 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 2.33 2.39 0.00 564 A 8.68 4.14 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 0.00 565 Q 8.28 4.08 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.09 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 566 N 7.67 4.45 0.00 1.77 1.91 0.00 0.00 6.75 6.73 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 0.00 567 I 8.00 4.62 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 1.10 0.00 0.00 568 K 7.77 3.80 0.00 1.72 1.97 0.00 2.28 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.78 7.81 569 N 7.87 4.30 0.00 2.75 2.69 0.00 0.00 6.74 7.71 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 0.00 570 P 0.00 3.46 0.00 1.76 1.55 0.00 3.32 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.00 571 Q 8.41 4.03 0.00 1.92 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 *572 T 8.35 4.11 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 0.00 573 K 8.48 4.19 0.00 1.83 1.92 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 574 I 7.78 3.31 1.93 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 1.59 0.69 1.09 0.00 0.00 575 F 8.18 4.04 0.00 3.18 3.13 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 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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 0.00 593 P 0.00 4.46 0.00 2.10 2.14 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 594 I 7.91 4.15 1.94 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 1.37 0.52 0.97 0.00 0.00 595 E 8.32 4.11 0.00 1.95 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 2.33 2.40 0.00 596 N 8.10 5.05 0.00 2.63 2.76 0.00 0.00 6.80 6.68 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 0.00 597 K 7.94 4.60 0.00 1.88 1.73 0.00 2.01 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.37 7.81 598 V 8.19 3.75 2.20 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 1.15 0.00 0.00 1.00 0.00 0.00 599 D 8.39 4.75 0.00 2.81 2.88 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 0.00 600 D 8.34 4.55 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 610 P 0.00 4.44 0.00 1.95 1.95 0.00 3.52 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 611 G 9.51 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 0.00 0.00 0.00 0.00 612 L 7.02 3.34 0.00 1.73 1.71 0.79 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 613 L 7.66 5.12 0.00 1.96 2.15 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 614 G 9.24 4.12 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 0.00 615 S 8.57 5.19 0.00 4.17 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 0.00 616 Y 7.51 2.00 0.00 1.43 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 3.74 0.00 3.82 3.79 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 0.00 618 E 8.42 3.99 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 R 8.23 4.74 0.00 1.86 1.94 0.00 3.26 0.00 0.00 3.57 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 844 I 7.78 3.84 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.96 0.00 0.00 845 G 8.38 3.56 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 0.00 846 Q 6.56 2.66 0.00 2.12 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 847 T 7.72 4.55 4.26 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 1.22 0.00 0.00 848 R 7.63 4.58 0.00 1.87 1.87 0.00 3.30 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 849 N 8.71 4.51 0.00 2.47 2.72 0.00 0.00 6.66 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 0.00 850 V 9.38 4.67 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 0.94 0.00 0.00 1.07 0.00 0.00 851 I 8.87 4.72 1.80 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 1.05 0.58 0.74 0.00 0.00 852 V 9.39 4.59 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 0.94 0.00 0.00 0.89 0.00 0.00 853 H 9.07 5.08 0.00 3.15 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 K 8.87 4.77 0.00 1.97 1.82 0.00 2.06 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.66 7.81 855 L 8.39 4.74 0.00 1.61 1.45 0.50 1.14 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 0.00 856 I 8.51 4.83 1.93 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 0.99 0.23 0.96 0.00 0.00 857 S 10.09 4.72 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 858 V 8.91 3.81 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 0.77 0.00 0.00 1.07 0.00 0.00 859 G 9.49 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 0.00 0.00 0.00 860 T 7.07 3.90 4.26 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 0.90 0.00 0.00 861 L 8.23 4.52 0.00 1.93 2.11 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 862 E 8.04 4.03 0.00 2.04 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 0.00 2.38 2.39 0.00 863 E 8.12 4.23 0.00 2.16 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 0.00 2.42 2.52 0.00 864 K 7.56 4.13 0.00 1.95 1.94 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.56 7.81 865 I 7.98 4.15 2.11 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 1.74 0.95 1.06 0.00 0.00 866 D 7.70 4.50 0.00 3.05 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 0.00 867 Q 7.78 4.21 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 868 L 7.64 4.78 0.00 2.04 1.85 1.30 0.48 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 0.00 869 L 7.84 4.19 0.00 1.68 1.81 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 870 A 8.66 4.40 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 0.00 871 F 7.81 4.28 0.00 3.05 2.94 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 0.00 872 K 6.27 4.24 0.00 0.80 1.50 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 0.87 7.81 873 R 8.56 5.21 0.00 1.76 1.84 0.00 3.25 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 874 S 8.42 4.65 0.00 3.91 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 0.00 875 L 8.06 4.79 0.00 1.94 1.84 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 876 F 7.58 4.47 0.00 3.17 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 0.00 877 K 7.38 4.18 0.00 1.66 1.74 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.31 7.81 878 D 7.78 4.39 0.00 2.90 2.86 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 0.00 879 I 7.40 3.98 1.81 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 1.32 1.26 0.69 0.00 0.00 880 I 7.35 3.83 1.41 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 1.45 0.76 0.88 0.00 0.00 881 S 7.34 4.54 0.00 4.06 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 0.00 882 S 7.88 4.50 0.00 4.11 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 0.00 883 G 7.63 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 0.00 0.00 0.00 884 D 8.44 4.91 0.00 2.63 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 0.00 885 S 7.77 4.13 0.00 3.92 4.06 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 0.00 0.00 0.00 886 W 8.34 4.37 0.00 3.56 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 I 7.15 2.88 1.41 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.52 0.00 0.00 888 T 7.49 4.02 4.16 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 1.15 0.00 0.00 889 E 7.21 4.55 0.00 2.10 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 2.45 2.48 0.00 890 L 7.15 3.14 0.00 1.76 1.49 0.87 0.96 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 0.00 891 S 8.94 5.57 0.00 3.99 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 0.00 892 T 8.10 3.70 4.26 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 1.30 0.00 0.00 893 E 8.18 4.06 0.00 2.08 1.98 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 2.41 2.43 0.00 894 E 8.00 4.03 0.00 2.18 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 2.37 2.36 0.00 895 L 8.84 4.00 0.00 1.70 1.80 0.85 -0.25 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 0.00 896 R 8.00 3.83 0.00 1.93 2.15 0.00 2.21 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 897 K 7.67 4.03 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 898 V 7.93 3.81 2.23 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 1.12 0.00 0.00 1.10 0.00 0.00 899 I 7.89 4.07 1.93 0.00 0.00 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 1.88 0.88 0.97 0.00 0.00 900 E 7.53 4.08 0.00 1.82 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 2.30 2.20 0.00 901 L 8.71 4.19 0.00 1.74 1.63 0.56 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 902 S 8.70 4.69 0.00 3.75 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 0.00 903 V 8.07 3.95 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 0.73 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.