NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 464 Q 4.5693 8.4281 119.0838 56.2374 29.7357 175.3209 465 K 4.2161 7.6961 116.8807 57.1535 32.8570 177.0626 466 D 4.4130 8.5343 121.9639 57.9114 41.0308 179.7623 467 L 4.0699 7.9825 117.0335 57.0980 41.6335 178.4912 468 A 4.3495 7.9064 119.9061 53.9128 19.4311 178.3786 469 D 4.5824 7.8807 116.3770 56.3230 41.4363 177.8518 470 Y 4.0213 8.9962 121.5847 60.3437 38.4781 176.4947 471 P 4.3693 0.0000 0.0000 66.0550 31.5608 179.0384 472 V 3.6962 7.7508 110.3251 63.9819 31.4692 178.8183 473 K 3.9002 7.8767 118.3831 59.4185 31.8556 179.1696 474 L 3.8265 7.7805 120.8511 57.7645 41.8887 178.9871 475 K 3.9180 7.8764 119.5484 59.3368 32.2090 178.6869 476 A 4.0421 8.0927 121.1336 55.5137 18.1584 178.6439 477 Y 3.9926 8.0789 118.1655 60.7365 38.8520 177.6990 478 E 3.4425 8.7937 119.5638 59.6440 29.6883 179.3886 479 D 4.2473 8.5617 118.9473 57.2732 40.9603 178.2508 480 E 3.7857 8.0592 119.5035 59.3604 29.8032 178.3892 481 Q 3.6760 8.3838 120.2976 59.4134 28.9910 178.6879 482 A 3.9608 8.0378 121.5652 55.0303 18.2664 179.5592 483 S 4.0422 8.4515 112.1558 61.4177 62.4056 176.5140 484 I 3.7423 8.1792 123.2106 63.8996 36.9102 178.1501 485 K 3.8755 7.8991 119.9485 59.5145 32.1226 178.7572 486 A 3.9768 7.9766 120.6962 55.0169 18.2608 179.4847 487 A 3.9521 7.6705 119.5188 55.2315 18.5340 179.9302 488 L 3.9147 8.0659 117.3647 57.8765 41.4922 179.5705 489 A 4.0140 7.7381 119.6847 54.9704 18.3614 179.0073 490 E 4.0399 8.0516 117.8896 59.3493 29.7646 178.9470 491 L 4.1858 8.1451 118.8459 57.2345 41.4059 178.6857 492 E 4.1191 7.8692 118.8878 58.4253 29.4711 177.9204 493 K 4.3733 7.3400 114.6541 57.1717 33.4136 176.8599 494 H 5.6477 8.4779 118.4078 54.5607 29.6523 175.3797 495 K 3.8230 8.0638 121.1984 59.2433 32.4056 177.7245 496 N 4.8636 8.0006 114.8438 52.8755 39.1134 174.1138 497 E 4.5023 8.0189 119.4237 54.3102 31.1456 175.2396 498 D 4.1828 8.4122 120.7969 56.2442 41.2964 177.8661 499 G 2.4806 7.1978 110.9411 44.8124 0.0000 172.2166 500 N 4.9936 7.2286 117.6285 51.1107 40.9022 174.5653 501 L 4.3691 8.3244 123.4016 54.9466 41.5843 177.1986 502 T 4.0474 8.6375 115.4759 63.4167 69.2288 174.0495 503 E 4.4100 7.8996 121.2581 52.9332 29.3042 172.6965 504 P 4.1866 0.0000 0.0000 63.1251 31.9914 176.1459 505 S 4.4560 8.0657 114.2321 57.3232 65.1119 174.4521 506 A 4.4866 8.3357 123.8709 51.4590 20.5000 176.6532 507 Q 4.5196 8.9269 121.2624 54.5813 30.5919 175.3889 508 N 4.6696 8.8427 123.9103 53.0691 39.0341 173.9688 509 L 4.9329 8.3231 122.8499 53.7940 43.4877 176.0696 510 V 4.1572 9.1923 129.0025 62.4483 32.6975 174.3770 511 Y 5.6055 8.4831 129.6629 57.0044 40.0835 174.3813 512 D 4.4105 8.3878 117.8877 52.7075 42.6160 176.0372 513 L 4.3828 7.6300 121.9893 54.5034 43.8381 175.9413 514 E 4.8307 8.4438 129.6519 54.5061 30.4542 175.3330 515 P 4.4098 0.0000 0.0000 65.1183 31.9197 177.2788 516 N 4.7663 7.9763 113.6511 52.5312 39.2971 174.4908 517 A 4.3738 7.5718 120.6448 52.6574 19.4060 177.0430 518 N 4.9223 9.0322 116.9722 51.9513 40.8304 174.1261 519 L 5.2384 8.4613 123.4571 53.4439 45.1891 175.6520 520 S 4.7900 8.6771 120.5056 56.8157 66.9400 173.0387 521 L 5.8803 8.9197 122.7140 52.2262 45.3754 175.7258 522 T 5.0980 8.2901 110.0196 60.9462 72.6668 172.2619 523 T 4.8491 8.2097 114.9538 61.3533 70.0868 172.6361 524 D 4.8207 8.5775 125.4579 53.1979 40.6790 177.3850 525 G 4.2038 7.7741 108.4881 46.6298 0.0000 174.1938 526 K 4.7636 8.8373 122.9970 54.3889 35.9385 175.7267 527 F 4.9811 8.7077 122.2861 57.1973 40.7608 174.2465 528 L 5.2325 8.5530 122.0682 52.6085 43.7348 176.8685 529 K 4.1676 9.2963 123.6099 56.6787 32.9628 178.2360 530 A 3.9659 9.7212 125.9442 55.2173 18.3044 180.6243 531 S 4.0007 7.9725 112.3027 61.4217 63.1596 176.4953 532 A 3.8758 7.6783 123.9691 54.8524 18.2146 179.5992 533 V 3.2198 7.4459 116.5206 65.9108 31.6452 177.7853 534 D 4.1069 7.4611 119.0978 56.7702 40.9510 178.0290 535 D 4.2849 8.2580 120.5232 56.6679 40.5759 178.5328 536 A 3.8105 7.5999 120.3120 55.1254 18.3421 179.4243 537 F 4.0995 7.8854 117.0550 59.8917 38.9782 177.6614 538 S 3.4987 7.4185 112.6489 58.9703 63.1800 174.0941 539 K 4.2814 7.2446 122.1376 54.6011 34.9937 176.1264 540 S 3.3588 8.4065 113.2019 59.4153 62.0984 173.2977 541 T 3.9082 8.6360 106.0845 64.0477 68.1154 174.9147 542 S 4.6544 7.6553 114.3497 58.4033 64.3807 175.8080 543 K 4.0174 8.3759 123.3919 59.9066 31.5207 177.8784 544 A 4.0424 8.1189 120.0716 55.5078 18.3286 179.7263 545 K 3.8370 8.1354 116.1580 59.3913 32.1388 178.9343 546 Y 4.4079 8.3176 121.7436 60.3702 38.6224 178.2560 547 V 3.8230 7.8834 117.5546 65.5794 31.5414 176.8828 548 Q 4.1078 7.0248 115.2145 54.6123 29.2267 175.4048 549 K 2.0000 7.6253 119.0369 56.7693 29.6018 175.5532 550 I 4.7721 7.1527 118.1260 59.5800 40.7259 175.5403 551 L 4.6379 8.9842 126.0814 53.6213 40.7524 174.8376 552 Q 4.5719 8.3828 125.9578 53.9241 28.1285 175.7978 553 L 4.0925 8.5378 123.8696 57.4831 41.9447 179.0288 554 D 5.0441 7.9310 113.6827 54.2094 39.2210 176.0122 555 D 4.9183 8.0903 117.8013 53.8094 42.5403 176.0024 556 L 3.6942 7.7660 122.4049 54.9347 42.4607 175.9426 557 D 4.4182 8.3374 125.7792 52.7922 40.6889 176.5865 558 I 3.6547 8.4312 129.6171 64.1124 37.2121 178.7863 559 T 3.7979 8.1571 117.5642 66.7505 68.3157 174.8743 560 N 4.9048 7.5432 115.6081 52.7429 38.3163 175.4259 561 L 4.6182 7.7823 115.1826 54.4922 43.1806 176.8188 562 E 4.5157 7.7560 116.5359 56.1174 29.4543 175.9103 563 Q 4.4419 8.4555 119.6446 54.6860 29.8385 177.1395 564 S 4.1878 8.6870 117.2751 61.8011 62.9872 175.8167 565 N 4.7826 8.0457 114.3375 53.4481 37.5480 175.1509 566 D 4.5413 8.1441 120.0982 55.6777 41.7473 176.8944 567 V 4.1775 7.3309 118.0435 62.6137 31.9459 174.9401 568 A 4.8713 8.6945 129.9901 50.3646 21.4701 176.4404 569 S 4.7420 8.4989 113.1332 59.4113 65.5718 174.5896 570 S 3.8568 7.8327 113.4435 58.3578 64.2959 176.0065 *572 E 4.1300 9.2893 112.6148 55.9172 30.6999 175.7400 573 L 4.7369 8.5534 123.8130 54.6093 43.3325 175.3141 574 Y 4.5348 9.1437 121.8242 55.5903 42.9724 175.5669 575 G 3.1467 5.5183 108.3444 44.9743 0.0000 172.6293 576 N 4.4681 8.0034 115.3308 50.2922 35.9764 173.4674 577 F 4.9855 6.7680 116.0158 58.6348 45.4064 177.4086 578 G 3.5972 7.0457 110.3434 46.2286 0.0000 174.0754 579 D 4.7470 8.9475 119.9893 53.3642 40.1755 177.0253 580 K 4.0348 7.0575 118.1262 55.9185 32.8815 178.4119 581 A 4.1345 8.2060 124.3710 55.2083 18.5874 180.2306 582 G 3.7359 8.1625 103.8526 48.0330 0.0000 173.8112 583 W 4.6614 8.4533 118.8835 56.8466 30.1181 175.5332 584 S 5.1505 8.7764 114.5418 57.1213 66.2012 172.8898 585 T 5.1984 8.9170 110.8594 59.9270 72.4766 173.9969 586 T 4.3529 8.2065 109.8618 62.3443 68.6440 175.8650 587 V 2.6409 7.1116 115.9545 62.0912 32.9057 176.1715 588 S 4.7560 7.8412 111.8806 58.5088 65.2180 179.7719 589 N 4.0439 7.7139 123.8428 55.5530 38.5403 176.7149 590 N 4.8240 7.8943 116.0228 53.9580 39.4620 175.6440 591 S 4.1918 7.8048 114.6351 58.2297 63.3939 174.0994 592 Q 4.1319 8.5186 125.6501 56.4185 29.5242 175.5350 593 V 4.6969 8.9820 123.6712 61.3916 35.5343 173.7971 594 K 5.1743 8.9004 125.2175 54.6130 36.5140 175.0497 595 W 5.7394 8.9353 119.6040 55.2581 31.9715 174.0938 596 G 4.5881 9.4382 109.3513 45.4615 0.0000 172.7339 597 S 5.7110 8.7998 116.2706 56.8208 67.1121 173.5846 598 V 5.0802 8.9180 116.0862 59.6588 36.5155 174.2287 599 L 5.1814 9.1282 124.9114 53.6178 43.9935 175.2318 600 L 5.3847 9.1905 126.2965 53.0675 45.7368 175.5131 601 E 5.3603 8.8649 119.7235 53.2184 33.2532 175.7766 602 R 4.1985 8.6971 119.3091 58.4715 30.4823 177.0088 603 G 4.1334 9.4074 111.1003 45.7173 0.0000 173.9158 604 Q 4.7261 8.1568 118.9292 55.9812 30.7834 174.9091 605 S 5.0976 9.8485 114.7436 57.7640 67.2774 172.7766 606 A 5.1149 9.1139 120.7439 50.4908 22.5959 175.1709 607 T 5.0192 9.0707 118.5916 61.8411 71.1855 173.1616 608 A 5.0197 9.4653 129.6613 50.5884 21.4582 175.4550 609 T 4.8513 8.7037 120.1173 62.0393 71.2218 172.9725 610 Y 5.2912 9.2801 125.6527 56.6413 40.0513 175.2536 611 T 4.9687 8.5707 113.7192 59.2396 72.8865 173.0784 612 N 4.3188 7.7920 116.5763 54.4135 36.4066 174.6572 613 L 4.5382 7.6177 116.3657 54.5612 43.0579 177.4674 614 Q 4.5682 9.4058 115.6402 55.8102 29.9033 175.4017 615 N 5.2185 9.3419 114.7014 52.9852 40.2360 173.6960 616 S 5.3553 7.7851 115.2828 57.3004 65.5378 172.7572 617 Y 5.2903 9.2442 120.4879 56.7225 43.0766 173.4266 618 Y 5.1429 9.2892 123.1853 56.1414 41.6200 175.3101 619 N 4.0189 9.6114 126.1414 54.3574 36.6317 175.8420 620 G 3.8444 8.4074 104.1225 45.5042 0.0000 173.8363 621 K 4.4910 8.0673 122.6052 54.2099 33.1318 175.7154 622 K 3.9569 8.9701 127.7699 56.8097 32.6512 175.4542 623 I 4.5688 8.1330 127.6739 60.4306 37.3923 175.6889 624 S 4.6189 8.9244 122.1284 59.4996 65.0722 174.0116 625 K 5.1773 7.8837 119.6432 55.0548 36.0964 174.8399 626 I 5.0417 8.9032 125.0428 59.6294 41.6727 174.2879 627 V 4.9551 9.1237 126.8152 61.5561 33.9464 173.5953 628 Y 5.2406 9.4507 126.4145 56.0657 41.0162 174.7416 629 K 4.7634 9.2455 125.0521 54.9361 34.9573 174.1322 630 Y 5.3319 9.1320 126.3723 56.9753 39.8416 174.8776 631 T 5.1454 8.9671 121.4019 61.4743 72.4057 173.6686 632 V 4.0827 8.5752 126.6239 62.3579 32.7050 174.6756 633 D 4.6535 9.1387 129.4083 54.2290 41.3626 175.4033 634 P 4.2379 0.0000 0.0000 65.7823 31.4906 177.5421 635 K 4.2317 8.4164 114.5066 57.0424 31.8723 177.4243 636 S 4.4121 8.0559 116.7381 58.9358 63.0778 174.3169 637 K 4.2988 8.5887 123.3458 55.7481 32.2628 176.9681 638 F 4.4952 7.3539 114.4317 57.0086 38.1509 175.2764 639 Q 4.1000 9.4178 122.4649 57.0377 29.1437 176.1811 640 G 4.0664 8.8946 106.9333 45.4885 0.0000 173.1735 641 Q 4.6827 8.7203 114.8965 55.3658 30.4695 175.5849 642 K 4.9764 7.9841 116.2002 54.5595 35.6380 175.6433 643 V 4.4608 8.6647 121.1917 61.0577 35.3081 173.6644 644 W 5.2934 9.4685 135.0000 55.9850 32.6678 174.3062 645 L 4.4665 8.8810 129.2075 52.9795 44.3278 174.9718 646 G 3.6409 8.1533 114.4174 44.4462 0.0000 171.9871 647 I 4.3527 8.3200 128.3223 59.0304 38.9268 175.8514 648 F 5.2109 7.8638 126.7043 57.5158 39.0529 176.3245 649 T 4.0610 9.1401 113.0192 64.6446 68.9302 174.1396 650 D 4.7148 8.2057 122.7872 52.3473 40.5111 174.2055 651 P 3.5932 0.0000 0.0000 65.6350 30.9091 178.3469 652 T 3.8191 7.9643 107.4682 63.0923 68.9326 175.3667 653 L 4.2879 8.0950 122.0229 55.0858 42.9858 178.7564 654 G 3.9537 8.5252 107.8269 46.0563 0.0000 174.1877 655 V 4.1445 8.4804 117.4353 59.7863 36.9788 172.5336 656 F 5.0322 8.5427 123.9061 56.3050 42.0392 173.3864 657 A 4.8376 8.1665 128.1005 50.0327 21.7582 174.9306 658 S 4.8372 8.8329 115.8979 56.6897 66.2781 173.8674 659 A 4.7008 8.6368 126.8352 51.4043 20.2185 175.4247 660 Y 4.2611 8.1285 119.7096 58.8240 38.9628 176.7174 661 T 4.5990 8.3636 118.6276 61.4403 69.3549 174.7632 662 G 3.6801 6.5595 112.1158 45.8662 0.0000 174.4842 663 Q 4.7626 7.1279 116.3130 53.7219 32.1307 175.4642 664 V 4.2632 8.3171 113.9680 61.6871 32.8498 175.2308 665 E 4.8381 9.2210 120.8156 54.8161 33.5406 175.2062 666 K 4.5859 8.6917 121.4143 55.5489 34.7516 176.1376 667 N 4.8570 7.9612 117.9893 54.5809 36.9241 174.4986 668 T 4.6989 6.8503 109.1458 61.1089 72.1872 172.9016 669 S 4.9756 8.1491 113.7171 58.5406 65.8449 175.7579 670 I 4.9337 7.5679 120.9381 60.0119 41.2224 173.3971 671 F 5.3909 9.4442 128.1485 55.7186 42.8045 174.1651 672 I 5.1113 8.9512 123.6724 59.5039 40.3401 174.8290 673 K 4.7874 9.7239 127.3935 55.9146 33.7845 175.5945 674 N 5.5856 9.3490 121.9828 51.6191 41.7001 172.9420 675 E 4.9683 9.1106 125.6458 54.1518 32.5521 174.6623 676 F 5.3423 8.2073 121.1681 55.4861 41.9744 173.6966 677 T 4.9436 8.6849 116.4671 62.0569 72.6218 172.7936 678 F 5.1076 8.8121 124.2581 56.1378 41.7568 174.2984 679 Y 5.2191 9.4477 120.1394 56.2687 41.7132 175.6451 680 D 5.2148 8.8458 122.7517 51.8394 41.2930 176.9550 681 E 4.2166 8.7568 116.3534 58.5564 29.3061 177.1154 682 D 4.6685 8.7042 118.8312 53.8263 41.3766 177.0726 683 G 3.9657 8.6848 107.7373 45.7334 0.0000 173.5855 684 K 4.6060 7.9861 118.7664 53.7115 33.6678 174.5163 685 P 3.9575 0.0000 0.0000 62.7514 32.1368 175.7755 686 I 3.8476 8.2194 123.4923 60.4163 38.4986 174.8772 687 N 4.3501 8.4333 126.8225 51.8945 38.7191 173.6073 688 F 4.1592 8.0082 123.5340 57.7754 40.5328 173.8509 689 D 5.1506 8.8177 121.8651 52.3049 41.5437 174.9358 690 N 4.1098 8.8657 126.0991 53.8026 36.7766 174.4932 691 A 4.8194 7.3021 118.9432 51.0604 20.8533 177.6544 692 L 4.6717 8.4478 119.5478 53.0844 43.4904 175.7054 693 L 4.6010 8.7151 126.9192 53.2754 44.1888 175.0590 694 S 4.6112 9.2190 122.3298 58.0315 63.4314 173.8634 695 V 4.4351 8.7316 120.6410 59.7081 33.2472 174.2965 696 A 5.0765 8.1895 126.2207 49.4237 22.7617 174.5654 697 S 3.9810 8.7470 109.5099 59.8357 60.8018 173.1936 698 L 4.5458 7.9762 118.9454 53.2018 39.5433 176.5118 699 N 4.9760 8.2854 119.4654 53.4366 40.6998 174.4423 700 R 4.9057 9.7231 122.8214 55.2646 33.2781 174.4786 701 E 4.7547 8.9728 127.2001 54.5221 31.5729 176.9496 702 H 4.2278 8.8277 115.0019 58.0435 28.4159 175.7116 703 N 4.9815 7.7012 114.5803 52.1443 38.4428 173.3118 704 S 5.0199 7.7878 114.1448 56.8078 66.4942 172.5002 705 I 4.8235 8.7416 126.4733 59.5970 40.2309 174.2309 706 E 5.0588 9.3219 128.1594 53.9751 31.2896 175.0350 *708 A 4.5629 8.3387 125.4499 52.1341 20.1268 175.7214 709 K 4.5198 9.4904 119.3990 55.9976 36.6103 174.7941 710 D 4.1549 8.3438 116.4426 55.7226 37.8838 172.3977 711 Y 5.1407 6.6795 115.4741 54.9284 41.6137 176.0721 712 S 4.4304 8.3778 115.9017 57.9407 64.7402 174.6866 713 G 3.9560 8.8123 108.1773 44.5443 0.0000 172.1060 714 K 4.8628 8.6744 117.3640 54.2562 34.9748 176.1803 715 F 4.7008 9.1248 127.2544 58.1851 40.4282 174.4301 716 V 3.9800 7.8167 125.0286 60.6450 34.2741 174.5748 717 K 4.0549 8.1659 128.9315 56.1215 34.0338 175.3186 718 I 4.5561 8.0684 126.3474 59.3162 39.1630 175.1462 719 S 3.9941 8.6579 122.6249 60.1783 62.4650 175.5252 720 G 4.0361 8.8823 115.1960 45.5241 0.0000 173.6101 721 S 4.7521 7.9849 114.5162 58.1769 63.1267 174.1002 722 S 4.1975 8.0649 119.6332 60.1775 63.9877 173.8009 723 I 4.4138 7.6524 122.7299 61.0220 37.9328 175.6015 724 G 4.1651 8.6296 112.7380 45.2633 0.0000 170.3725 725 E 4.6135 8.4835 119.5635 53.8214 31.8625 175.4606 726 K 4.4508 8.1695 126.0071 56.1649 35.1356 175.0215 727 N 4.0902 9.9510 123.3558 54.4342 36.6239 173.7244 728 G 3.4050 8.0801 99.3372 46.1185 0.0000 175.6382 *730 I 3.7147 7.3260 116.9150 61.5574 38.2622 175.1544 731 Y 4.5294 7.6224 122.3402 56.1806 40.7241 174.1005 732 A 5.2683 8.7957 122.5704 51.4177 16.4338 177.1228 733 T 3.4507 7.7675 111.8604 63.9585 69.0996 175.7796 734 D 4.8703 7.8838 118.7445 54.0165 42.9791 175.2180 735 T 4.7498 7.3655 107.0626 59.9339 71.8506 172.8650 736 L 4.5946 8.3625 123.0965 54.3859 42.7516 177.2000 737 N 5.7319 8.7654 113.4923 53.1772 38.3149 175.8576 738 F 4.6644 8.9130 122.1065 60.7862 40.2187 174.9565 739 K 4.5515 7.9382 120.5728 53.7610 34.6343 174.7935 740 Q 4.2077 8.7025 126.8065 58.0650 29.1623 177.1622 741 G 3.9418 9.0339 113.0271 45.4622 0.0000 172.9373 742 E 4.4770 8.3302 120.6481 55.4732 30.6718 176.3205 743 G 4.1013 9.6056 112.9861 46.6470 0.0000 174.9450 744 G 3.9716 8.5120 107.2705 44.7473 0.0000 174.6948 745 S 4.3822 7.7937 115.4299 58.3873 62.9148 174.9972 746 R 3.5746 8.8157 128.7391 58.2173 29.9384 176.0967 747 W 5.3424 7.1565 114.6339 55.1116 33.4346 176.0956 748 T 5.0640 8.4717 113.7887 60.8465 71.3466 172.9276 *750 Y 4.5564 8.3316 118.4281 56.6297 39.4454 175.3815 751 K 4.0762 8.6231 122.7257 56.5898 32.9308 175.8411 752 N 4.9469 8.5178 123.3483 52.0656 39.8252 173.5041 753 S 4.2476 8.9398 111.9245 61.7859 63.0909 175.0839 754 Q 4.0932 7.8898 118.6342 54.9599 29.1599 175.2709 755 A 3.9940 8.3381 123.7531 53.7523 18.8910 178.1873 756 G 3.0852 8.5777 109.7811 44.9431 0.0000 173.9046 757 S 4.3326 7.2157 113.9183 58.9513 62.8702 173.7158 758 G 3.7803 8.3613 106.5010 46.1979 0.0000 176.2743 759 W 4.3935 7.7481 118.5462 58.0634 28.4822 175.0858 760 D 4.6813 6.0500 120.7079 51.8157 38.6739 174.7126 761 S 4.6023 7.3670 116.1057 56.4088 66.0690 175.6910 762 S 4.2327 8.6022 115.5836 60.6896 62.9892 174.6985 763 D 4.6880 7.8669 117.6711 53.5292 41.6042 176.3369 764 A 4.0319 7.8163 124.2567 51.6408 18.7259 177.1130 765 P 4.4369 0.0000 0.0000 64.6226 31.3156 176.6901 766 N 4.1718 7.5290 117.0346 52.0027 37.7500 176.3663 767 S 5.2146 7.9876 115.0787 60.7762 63.4406 175.9446 768 W 4.4075 7.7266 118.3899 58.8921 28.2625 177.3633 769 Y 4.2611 7.5507 121.1080 59.7354 38.3472 177.1604 770 G 3.8914 7.7328 107.6435 44.6351 0.0000 171.9674 771 A 5.3273 7.8628 121.2731 50.3638 22.7641 176.3472 772 G 4.3842 9.1129 104.5405 46.2791 0.0000 171.7224 773 A 5.2227 8.0917 119.6841 50.8288 23.3984 175.8248 774 I 4.8606 8.5833 119.8067 59.5002 40.5235 175.7090 775 K 5.0040 9.1821 126.6009 54.9261 34.0654 176.3491 *777 S 4.4059 8.4180 117.7881 59.1197 64.2553 174.5791 778 G 4.0854 8.7672 105.8210 45.0864 0.0000 172.7758 779 P 4.7253 0.0000 0.0000 63.0142 31.9830 175.5888 780 N 4.8716 7.8353 117.2885 51.8991 41.2967 172.8742 781 N 5.1561 8.4008 122.1707 51.9693 43.6056 172.7821 782 H 5.0844 8.2245 113.7208 55.2326 32.4564 172.9364 783 V 5.1710 8.9160 117.5755 62.0270 35.2114 172.3044 784 T 5.1227 9.2407 121.1744 62.1732 70.4724 173.7772 785 V 4.6317 8.2612 126.1290 61.2313 34.5631 174.5986 786 G 3.9482 8.0423 111.8786 45.9802 0.0000 171.2027 787 A 5.0042 7.7182 120.9378 50.1735 21.8936 175.5003 788 T 4.9360 8.7146 115.7379 59.9152 71.6217 173.3025 789 S 4.5186 8.9211 123.4346 58.8088 63.6261 175.4749 790 A 3.9502 8.9662 127.5740 55.5429 18.3318 180.0694 791 T 3.9198 7.8520 104.6051 64.5558 68.8097 174.9886 792 N 4.5207 8.1213 118.3080 54.5483 38.7958 175.7036 793 V 3.9636 7.5010 116.4444 62.5746 32.8210 173.7440 *795 P 4.2260 0.0000 0.0000 62.2995 32.3765 177.4212 796 V 3.6379 8.4995 121.1840 66.1195 31.4710 177.4519 797 S 4.2948 8.0580 112.0680 60.0027 63.4895 173.9389 798 D 4.7353 7.6761 122.9608 53.0417 40.1881 174.5957 *800 P 4.1763 0.0000 0.0000 62.3370 33.0033 176.7099 801 V 4.2099 8.2450 120.8234 61.1978 32.9014 175.6481 802 V 4.2326 8.0357 126.6793 59.7234 31.7824 171.7948 803 P 4.2705 0.0000 0.0000 64.3807 31.5200 177.1246 804 G 4.0315 9.4098 111.3507 44.8562 0.0000 173.1040 805 K 4.4285 7.8432 118.7624 54.3322 35.1968 175.1799 806 D 4.6621 8.5436 123.1364 53.0232 41.2599 176.5721 807 N 4.7321 8.8090 124.5396 55.5846 38.6844 176.0994 808 T 4.2146 8.6588 114.6401 64.5528 69.1151 175.0569 809 D 4.3605 7.9121 121.3791 54.8001 41.2431 176.9062 810 G 4.0941 8.4540 110.4305 46.2511 0.0000 171.8913 811 K 4.8669 9.0033 118.7382 54.6652 36.8120 175.5742 812 K 4.4473 8.4465 120.4698 54.9232 32.5460 176.9040 813 P 4.5772 0.0000 0.0000 61.6157 30.2298 173.5813 814 N 5.3488 7.0315 116.1505 52.1464 41.6829 174.8955 815 I 4.1461 7.5200 116.2063 59.9690 42.1743 172.3082 816 W 5.6305 8.9714 135.0000 55.8867 33.0699 173.8100 817 Y 4.8432 8.6745 123.8821 56.3515 41.4005 173.6401 818 S 4.8704 8.4771 112.9390 57.0735 65.8717 173.7460 819 L 4.7674 8.5157 120.6472 53.2154 43.9932 175.3727 820 N 5.1908 8.4212 120.9213 51.9515 40.1659 174.9292 821 G 4.0599 8.9291 107.3289 45.7895 0.0000 175.2840 822 K 4.2556 8.2628 123.1304 54.4461 30.2860 176.0252 823 I 3.6974 7.5534 120.0611 61.5719 38.6189 175.7006 824 R 4.2628 8.6230 124.9396 56.8964 30.5271 176.5305 825 A 4.3172 7.7128 120.8211 51.9478 19.1070 177.2782 826 V 4.0548 8.6128 114.0388 61.3163 32.9943 176.0782 827 N 4.0450 8.4872 116.9625 54.2006 36.0433 175.3703 828 V 3.9493 7.5286 116.7297 61.0544 32.6107 173.2524 829 P 4.4460 0.0000 0.0000 62.8678 32.3385 175.4222 830 K 4.8700 8.5776 122.9278 55.1887 33.9677 176.0940 831 V 4.0651 8.2656 124.2785 62.2650 31.5232 175.4601 832 T 4.3654 8.9035 124.4478 63.6793 70.6726 174.8588 833 K 4.4782 8.8256 121.3043 54.5674 33.3833 175.9705 834 E 4.3725 8.4501 121.7784 54.8200 30.9284 176.0869 835 K 2.7907 8.0281 122.6326 54.8866 32.0202 174.8717 836 P 4.2717 0.0000 0.0000 62.7112 31.8681 175.8209 837 T 4.3587 8.2821 112.4396 59.4667 69.9910 172.6302 838 P 3.9595 0.0000 0.0000 62.2297 31.4050 174.2466 839 P 4.2486 0.0000 0.0000 62.9484 31.9125 176.5852 840 V 3.9446 8.2176 119.5426 61.8154 31.5622 175.6751 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 464 Q 8.43 4.57 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 465 K 7.70 4.22 0.00 2.08 2.05 0.00 1.53 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.75 7.81 466 D 8.53 4.41 0.00 2.86 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 0.00 467 L 7.98 4.07 0.00 1.60 1.71 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 468 A 7.91 4.35 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 0.00 469 D 7.88 4.58 0.00 2.74 2.74 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 0.00 470 Y 9.00 4.02 0.00 3.01 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 0.00 471 P 0.00 4.37 0.00 2.25 2.17 0.00 3.82 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 472 V 7.75 3.70 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 473 K 7.88 3.90 0.00 1.78 1.67 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 474 L 7.78 3.83 0.00 1.03 1.51 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 475 K 7.88 3.92 0.00 1.89 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.53 7.81 476 A 8.09 4.04 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 0.00 477 Y 8.08 3.99 0.00 3.01 3.07 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 0.00 478 E 8.79 3.44 0.00 2.17 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 0.00 2.37 2.55 0.00 479 D 8.56 4.25 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 480 E 8.06 3.79 0.00 2.05 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 2.22 2.26 0.00 481 Q 8.38 3.68 0.00 1.38 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.99 2.23 0.00 482 A 8.04 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 0.00 483 S 8.45 4.04 0.00 3.84 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 0.00 484 I 8.18 3.74 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.87 0.00 0.00 485 K 7.90 3.88 0.00 1.81 1.92 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 486 A 7.98 3.98 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 0.00 487 A 7.67 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 488 L 8.07 3.91 0.00 1.84 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 489 A 7.74 4.01 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 0.00 490 E 8.05 4.04 0.00 2.19 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 0.00 2.31 2.42 0.00 491 L 8.15 4.19 0.00 1.88 1.68 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 492 E 7.87 4.12 0.00 2.09 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 2.30 2.35 0.00 493 K 7.34 4.37 0.00 1.86 1.80 0.00 1.47 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 0.99 7.81 494 H 8.48 5.65 0.00 3.07 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 K 8.06 3.82 0.00 2.13 2.04 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.43 7.81 496 N 8.00 4.86 0.00 2.68 2.82 0.00 0.00 6.88 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 497 E 8.02 4.50 0.00 2.10 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 2.25 2.25 0.00 498 D 8.41 4.18 0.00 2.63 2.56 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 0.00 499 G 7.20 2.48 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 0.00 0.00 0.00 500 N 7.23 4.99 0.00 2.72 2.62 0.00 0.00 6.96 6.79 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 0.00 501 L 8.32 4.37 0.00 1.45 1.66 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 502 T 8.64 4.05 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 503 E 7.90 4.41 0.00 1.87 1.88 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 2.17 2.23 0.00 504 P 0.00 4.19 0.00 2.00 1.99 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 505 S 8.07 4.46 0.00 3.89 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 0.00 506 A 8.34 4.49 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 0.00 507 Q 8.93 4.52 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 508 N 8.84 4.67 0.00 2.83 2.98 0.00 0.00 5.66 6.67 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 0.00 509 L 8.32 4.93 0.00 1.59 1.80 0.97 0.34 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 0.00 510 V 9.19 4.16 2.36 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 1.19 0.00 0.00 1.02 0.00 0.00 511 Y 8.48 5.61 0.00 3.16 2.89 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 0.00 512 D 8.39 4.41 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 L 7.63 4.38 0.00 1.56 1.61 0.93 0.90 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 0.00 514 E 8.44 4.83 0.00 2.14 1.87 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 2.38 2.40 0.00 515 P 0.00 4.41 0.00 2.18 2.20 0.00 3.76 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 2.01 2.01 0.00 516 N 7.98 4.77 0.00 2.74 2.88 0.00 0.00 6.87 7.35 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 0.00 517 A 7.57 4.37 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 N 9.03 4.92 0.00 2.73 2.75 0.00 0.00 6.64 6.28 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 0.00 519 L 8.46 5.24 0.00 1.72 1.55 0.58 1.01 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 0.00 520 S 8.68 4.79 0.00 3.73 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 L 8.92 5.88 0.00 1.76 1.80 1.10 1.04 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 0.00 522 T 8.29 5.10 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 1.29 0.00 0.00 523 T 8.21 4.85 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 0.29 0.00 0.00 524 D 8.58 4.82 0.00 2.82 2.73 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 0.00 0.00 0.00 525 G 7.77 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 0.00 526 K 8.84 4.76 0.00 1.66 1.68 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.53 7.81 527 F 8.71 4.98 0.00 3.29 3.02 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 0.00 528 L 8.55 5.23 0.00 1.63 1.58 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 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7.89 4.10 0.00 3.18 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 0.00 538 S 7.42 3.50 0.00 3.92 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 0.00 539 K 7.24 4.28 0.00 1.68 1.69 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.43 7.81 540 S 8.41 3.36 0.00 3.85 3.54 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 0.00 541 T 8.64 3.91 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 1.28 0.00 0.00 542 S 7.66 4.65 0.00 4.36 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 0.00 543 K 8.38 4.02 0.00 1.98 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.79 7.81 544 A 8.12 4.04 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 0.00 545 K 8.14 3.84 0.00 2.06 1.96 0.00 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0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 554 D 7.93 5.04 0.00 2.91 3.03 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 0.00 0.00 0.00 555 D 8.09 4.92 0.00 2.91 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 0.00 556 L 7.77 3.69 0.00 1.03 1.49 -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 557 D 8.34 4.42 0.00 2.57 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 0.00 558 I 8.43 3.65 2.05 0.00 0.00 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 1.61 0.49 0.91 0.00 0.00 559 T 8.16 3.80 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 1.14 0.00 0.00 560 N 7.54 4.90 0.00 2.51 2.68 0.00 0.00 6.73 9.09 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 0.00 561 L 7.78 4.62 0.00 1.59 1.50 0.24 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 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0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.55 0.00 0.00 588 S 7.84 4.76 0.00 3.91 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 0.00 589 N 7.71 4.04 0.00 3.00 2.37 0.00 0.00 7.02 7.41 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 0.00 590 N 7.89 4.82 0.00 2.61 2.91 0.00 0.00 7.04 7.45 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 0.00 591 S 7.80 4.19 0.00 3.99 3.80 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 0.00 592 Q 8.52 4.13 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 593 V 8.98 4.70 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 1.13 0.00 0.00 0.87 0.00 0.00 594 K 8.90 5.17 0.00 1.70 1.55 0.00 1.39 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.94 1.25 7.81 595 W 8.94 5.74 0.00 3.12 3.31 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 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0.00 0.00 0.00 0.00 0.00 629 K 9.25 4.76 0.00 1.76 1.65 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.41 7.81 630 Y 9.13 5.33 0.00 2.99 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 0.00 631 T 8.97 5.15 4.33 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 1.33 0.00 0.00 632 V 8.58 4.08 2.34 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 0.94 0.00 0.00 1.02 0.00 0.00 633 D 9.14 4.65 0.00 2.94 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 0.00 634 P 0.00 4.24 0.00 2.07 2.11 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 635 K 8.42 4.23 0.00 1.80 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.38 7.81 636 S 8.06 4.41 0.00 3.80 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 0.00 637 K 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0.00 0.00 1.18 0.00 0.00 662 G 6.56 3.68 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 0.00 0.00 0.00 663 Q 7.13 4.76 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 664 V 8.32 4.26 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 0.72 0.00 0.00 0.98 0.00 0.00 665 E 9.22 4.84 0.00 1.90 1.89 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 2.43 2.51 0.00 666 K 8.69 4.59 0.00 1.72 1.72 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.47 7.81 667 N 7.96 4.86 0.00 2.79 2.88 0.00 0.00 6.88 7.42 0.00 0.00 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 T 6.85 4.70 4.33 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 1.36 0.00 0.00 669 S 8.15 4.98 0.00 3.70 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 0.00 670 I 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 790 A 8.97 3.95 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 0.00 791 T 7.85 3.92 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 0.00 792 N 8.12 4.52 0.00 2.87 2.93 0.00 0.00 6.81 7.32 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 0.00 793 V 7.50 3.96 2.11 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 0.59 0.00 0.00 0.80 0.00 0.00 *795 P 0.00 4.23 0.00 2.25 2.00 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 796 V 8.50 3.64 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 0.83 0.00 0.00 0.94 0.00 0.00 797 S 8.06 4.29 0.00 4.03 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 0.00 798 D 7.68 4.74 0.00 2.84 2.71 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 *800 P 0.00 4.18 0.00 2.12 2.06 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 801 V 8.24 4.21 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 0.80 0.00 0.00 0.95 0.00 0.00 802 V 8.04 4.23 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 1.10 0.00 0.00 1.00 0.00 0.00 803 P 0.00 4.27 0.00 2.09 2.03 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 804 G 9.41 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 805 K 7.84 4.43 0.00 1.72 1.30 0.00 1.65 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.29 7.81 806 D 8.54 4.66 0.00 2.69 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 0.00 807 N 8.81 4.73 0.00 2.78 2.89 0.00 0.00 7.18 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 0.00 808 T 8.66 4.21 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 1.22 0.00 0.00 809 D 7.91 4.36 0.00 2.68 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 0.00 810 G 8.45 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 811 K 9.00 4.87 0.00 1.68 1.82 0.00 1.26 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.38 7.81 812 K 8.45 4.45 0.00 1.48 1.41 0.00 1.50 0.00 0.00 1.28 0.00 0.00 2.25 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.67 1.20 7.81 813 P 0.00 4.58 0.00 2.24 2.31 0.00 3.90 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 814 N 7.03 5.35 0.00 2.42 2.77 0.00 0.00 6.12 7.81 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 0.00 815 I 7.52 4.15 1.78 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 1.29 1.10 0.90 0.00 0.00 816 W 8.97 5.63 0.00 3.74 3.26 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 0.00 817 Y 8.67 4.84 0.00 3.10 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 0.00 818 S 8.48 4.87 0.00 4.06 3.93 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 0.00 0.00 0.00 819 L 8.52 4.77 0.00 1.85 1.68 1.33 1.11 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 0.00 820 N 8.42 5.19 0.00 2.67 2.61 0.00 0.00 6.02 7.30 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 0.00 821 G 8.93 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 0.00 0.00 0.00 822 K 8.26 4.26 0.00 1.69 1.89 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.38 7.81 823 I 7.55 3.70 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.92 0.00 0.00 824 R 8.62 4.26 0.00 2.00 2.14 0.00 3.49 0.00 0.00 3.42 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 825 A 7.71 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 V 8.61 4.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.84 0.00 0.00 827 N 8.49 4.04 0.00 2.76 2.80 0.00 0.00 6.88 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 0.00 828 V 7.53 3.95 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 0.84 0.00 0.00 0.96 0.00 0.00 829 P 0.00 4.45 0.00 2.12 2.14 0.00 3.71 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 2.04 1.97 0.00 830 K 8.58 4.87 0.00 1.65 1.77 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.38 1.38 7.81 831 V 8.27 4.07 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 0.76 0.00 0.00 0.94 0.00 0.00 832 T 8.90 4.37 4.49 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 1.10 0.00 0.00 833 K 8.83 4.48 0.00 1.85 1.88 0.00 1.54 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.40 7.81 834 E 8.45 4.37 0.00 2.02 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 2.22 2.22 0.00 835 K 8.03 2.79 0.00 0.79 1.38 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.07 0.65 7.81 836 P 0.00 4.27 0.00 1.88 1.83 0.00 3.29 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 837 T 8.28 4.36 4.27 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 1.21 0.00 0.00 838 P 0.00 3.96 0.00 2.08 2.04 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 839 P 0.00 4.25 0.00 1.98 2.04 0.00 3.26 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 840 V 8.22 3.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.