NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 446 S 4.4137 8.3344 115.4121 58.4141 64.3814 172.0971 447 M 4.4472 8.1567 119.9981 52.8972 34.0163 173.7306 448 I 3.9136 9.0444 128.4991 60.2716 39.0311 173.8082 449 P 4.3222 0.0000 0.0000 62.5590 32.0973 176.5927 450 E 3.8862 9.1227 123.2634 59.5868 29.4514 179.2955 451 V 3.7485 7.7272 115.4754 65.0613 31.7159 176.2431 452 Q 4.2900 7.8590 116.9943 56.8720 29.0807 176.3005 453 K 4.2231 7.8298 118.6362 54.6989 33.0027 175.2183 454 P 4.2794 0.0000 0.0000 62.6173 31.9143 176.9127 455 L 3.4316 8.3459 121.5194 58.3787 42.0462 178.5150 456 H 3.8797 7.9739 116.6040 59.1221 29.5445 175.0771 457 E 4.2775 7.8323 115.9224 56.5019 30.2491 176.3723 458 Q 3.7306 7.5578 120.2100 54.9583 29.3485 177.3444 459 L 3.8547 8.1067 122.4674 57.0163 42.1156 178.4100 460 W 4.8554 7.0702 113.4349 55.3801 28.4315 174.3697 461 Y 5.2530 7.5599 121.3102 57.1298 38.8398 175.2481 462 H 4.9355 8.7663 123.8406 53.6494 31.0270 177.7539 463 G 3.7351 6.2010 111.3220 44.9554 0.0000 174.7248 464 A 4.2236 6.9654 122.7057 51.4988 18.7714 177.8951 465 I 3.4897 7.7110 118.8257 62.0454 37.9776 174.2019 466 P 4.5480 0.0000 0.0000 62.3177 32.6968 178.1885 467 R 3.9016 8.7630 120.3844 62.0755 29.2215 177.8677 468 A 4.2980 7.9795 120.7531 54.4005 18.2708 179.5939 469 E 3.8631 7.9680 117.5101 59.5790 29.6813 179.1357 470 V 3.5323 7.8937 117.5660 66.1025 31.1849 177.3324 471 A 3.9749 7.5985 118.5922 55.5809 18.3095 178.9726 472 E 3.9881 7.7879 115.5573 59.2496 29.7052 178.5367 473 L 4.4457 8.0089 118.4945 55.6381 42.0386 176.8450 474 L 4.2050 7.6304 119.2082 54.0710 40.7200 176.4219 475 V 3.8448 8.0685 123.8570 63.7898 32.5314 175.5180 476 H 4.9363 9.0627 118.7818 54.1439 30.9569 175.4783 477 S 4.3406 8.4809 117.9761 60.1603 62.3504 175.8751 478 G 4.1812 9.1274 114.3407 43.5208 0.0000 172.8368 479 D 5.2622 8.1352 120.6208 55.0884 41.9648 175.6146 480 F 5.6661 9.1373 115.9808 56.5881 42.1114 172.5786 481 L 5.0392 8.5420 118.6915 54.8018 44.4189 174.2753 482 V 5.3271 9.7209 119.2137 61.4568 34.6734 174.3306 483 R 4.9969 9.1946 121.6709 54.9872 33.4228 173.2622 484 E 4.6767 8.7489 120.8002 55.2750 30.5289 175.9366 485 S 4.0030 8.9642 122.8474 61.7794 62.9396 174.6253 *489 Q 4.0984 7.7156 122.3789 56.0988 29.8312 176.8386 490 E 4.5556 8.0789 119.7692 54.7480 33.7621 173.3100 491 Y 4.9197 8.6444 123.0741 57.0392 39.9082 174.9620 492 V 4.8756 9.6881 121.8308 61.2326 35.5205 174.0055 493 L 5.0689 9.5227 130.4450 54.0790 43.6943 175.4966 494 S 5.1314 9.0339 127.0051 58.1389 63.3907 175.7975 495 V 4.5520 8.9305 125.5146 61.5553 33.3524 170.7910 *501 P 4.5346 0.0000 0.0000 63.7736 31.5782 176.4591 502 R 4.4268 8.3206 127.4503 55.8881 32.2615 173.7547 503 H 4.8359 8.1226 118.2583 53.9702 31.4548 173.1248 504 F 4.8312 9.2704 123.8756 55.5879 40.7940 175.6410 505 I 4.3639 8.5557 125.5927 61.5820 37.7289 176.4026 506 I 4.2325 8.6036 131.0088 60.1400 39.3141 176.0388 *511 N 4.4251 8.1645 118.8605 53.0047 38.5530 170.8300 512 L 5.1287 7.1027 120.7905 53.5665 45.4894 178.6479 513 Y 4.6789 9.4926 123.7350 57.5990 39.3437 175.6215 514 R 4.8360 8.4289 121.3042 56.6561 33.6012 173.9938 515 L 4.5629 8.5219 113.8455 56.2876 43.3560 176.5396 *520 F 4.4458 7.6041 117.4265 56.3106 40.0757 173.8651 521 P 4.5013 0.0000 0.0000 65.6935 31.4976 177.2474 522 S 4.7176 7.7856 110.9003 55.8997 67.3048 174.8941 523 I 3.6378 7.6258 122.5214 63.8307 36.7803 176.9804 524 P 4.6135 0.0000 0.0000 65.4500 31.2383 178.4144 525 L 3.9203 7.5481 117.1598 57.6347 41.4957 179.4097 526 L 2.9542 7.6173 119.5645 58.0282 42.1286 179.0169 527 I 3.3815 7.7050 119.9218 64.2232 36.8313 178.0316 528 D 4.1791 8.0180 118.7721 57.4330 41.1214 177.3888 529 H 3.9947 7.6696 118.7376 59.4046 29.6431 176.9083 530 L 3.7045 7.6767 120.3267 57.5811 41.2123 179.2954 531 L 3.8155 7.5888 121.0368 59.0545 42.1619 179.1403 532 S 4.1937 8.4547 118.0058 64.1750 62.2481 178.4765 533 T 4.2137 8.4486 115.5333 62.8085 68.7327 175.4191 534 Q 3.4849 7.9672 120.8564 56.4327 26.1589 178.9577 535 Q 4.3658 7.3513 116.4109 54.2988 29.0252 176.9395 536 P 4.6841 0.0000 0.0000 62.7253 32.6192 176.5376 537 L 3.8639 8.6721 121.3387 57.6333 42.0266 179.2779 *541 S 4.5378 8.0042 112.2943 56.6221 64.3682 176.0885 542 G 4.1043 8.2491 107.4573 45.1947 0.0000 174.1402 543 V 3.6910 7.5591 119.5408 62.8409 32.4473 174.8129 544 V 4.5431 7.9302 124.8657 60.8398 34.6969 174.4174 545 L 4.5118 8.0077 124.6117 54.6606 42.6774 175.4471 546 H 4.7849 9.2462 120.1381 57.4484 32.2897 174.0090 547 R 4.6121 8.0408 119.3277 54.6677 33.0719 173.6268 548 A 3.1216 8.5240 129.2488 51.7139 19.0929 176.4758 549 V 4.0762 8.8682 124.5877 61.1717 32.6746 174.0831 550 P 4.9359 0.0000 0.0000 61.9943 32.6770 176.0817 551 K 4.3220 8.2656 120.2737 56.2485 32.8804 177.2397 552 D 4.6912 8.5476 122.9337 52.2474 40.7081 176.9987 553 K 4.0150 8.2655 117.1754 58.3251 32.8314 177.7152 554 W 4.4694 8.5916 119.9490 57.7178 29.6913 176.1485 555 V 4.3446 7.5943 119.4634 62.7951 31.4247 175.2696 556 L 4.9083 8.9115 127.8056 52.7455 45.1444 175.9772 557 N 4.6401 8.8133 119.9025 53.3767 39.5060 176.0455 558 H 4.2202 9.2048 118.9943 58.8445 29.0176 177.1790 559 E 4.2872 8.1239 115.0104 57.7144 30.0882 176.9219 560 D 4.5650 8.1478 119.2704 55.1392 41.3197 175.0683 561 L 5.0291 7.5795 121.6261 53.0551 44.6000 175.6698 562 V 4.1976 8.7910 126.8079 61.0361 32.8540 174.5405 563 L 4.1242 8.5460 131.1115 55.2298 42.6498 176.3125 564 G 4.5299 8.6990 114.4621 44.8549 0.0000 172.5803 565 E 4.5833 8.7386 118.7466 55.8742 31.1570 176.3401 566 Q 4.3848 8.8299 123.6232 56.4751 29.3899 175.7543 567 I 4.4353 8.3875 118.1656 60.2536 39.3168 174.7713 568 G 4.1061 7.4312 108.8823 46.9498 0.0000 172.2394 569 R 5.1858 8.5325 114.6479 55.3596 32.4175 174.8984 570 G 4.0324 8.8483 107.1196 45.1038 0.0000 173.2158 571 N 4.2349 8.7949 116.0412 55.5500 37.6972 176.1395 572 F 4.4211 8.3821 116.6600 57.9761 40.6963 173.8312 573 G 4.2263 6.9521 109.1918 44.4565 0.0000 173.2049 574 E 4.5756 8.5555 123.1957 55.7538 31.3322 175.6792 575 V 4.8131 8.1910 122.6169 61.3133 34.0073 174.5998 576 F 5.3800 9.1162 125.5997 55.3598 43.1055 174.8955 577 S 4.8030 9.2230 116.5365 58.9381 64.7196 173.2256 578 G 4.3368 9.1627 107.5336 45.7472 0.0000 171.5885 579 R 5.3355 8.8069 117.3809 54.0584 34.8205 175.2511 580 L 4.5310 9.0078 123.1115 54.6262 42.0875 178.1142 581 R 3.9019 8.9318 125.4157 59.5011 30.0325 177.8622 582 A 4.1862 8.1385 121.0739 54.5920 18.6184 177.6077 583 D 4.6810 7.4776 110.7390 52.7316 40.6887 175.2240 584 N 4.3160 8.5581 114.4717 54.6138 36.8196 174.2707 585 T 4.0744 7.6154 116.2278 63.6774 69.3772 173.9465 586 L 4.7603 8.4850 126.2077 54.8733 42.8330 176.6461 587 V 4.7273 8.8506 114.6899 59.8427 36.7632 173.9070 588 A 4.9972 8.8774 124.9192 50.8350 21.2252 176.7260 589 V 4.6320 8.7679 121.0965 60.9691 34.6356 174.2056 590 K 4.8577 9.2130 131.4607 55.7464 33.1779 175.7581 591 S 5.7152 9.1023 122.3592 56.9237 65.8684 172.9812 592 C 4.1691 7.9956 123.5548 59.1143 32.5426 173.5979 593 R 3.5459 9.3185 126.5943 60.4109 27.5411 172.0660 *598 P 4.3932 0.0000 0.0000 62.8462 33.8333 182.2315 599 D 4.4493 8.3247 123.1991 59.2790 39.9776 179.6953 600 L 4.3171 8.1357 124.3228 58.6188 42.0090 179.3688 601 K 4.1173 7.7256 120.7146 60.2604 31.2995 180.6520 602 A 4.3443 7.8567 120.2169 54.5493 18.6710 179.1611 603 K 4.2162 8.6452 116.4335 57.7370 32.1154 178.8177 604 F 3.0777 7.6142 121.0173 60.8196 39.4807 176.1360 605 L 3.8460 7.5561 115.5843 54.7346 41.5911 178.0532 606 Q 3.8234 7.6239 121.5970 59.4703 28.9291 178.1582 607 E 3.8054 7.9086 119.1821 59.1264 29.5709 178.5707 608 A 3.6244 7.4482 120.1278 55.0711 18.3478 179.3366 609 R 3.6741 7.6352 115.4589 59.6200 30.4272 179.0370 610 I 3.5109 7.5447 119.0906 64.4452 37.1622 178.6745 611 L 3.4281 7.5574 119.3651 56.9895 41.1006 179.4308 612 K 2.6810 7.1271 118.0991 59.2908 31.9852 178.4190 613 Q 4.2187 7.1535 115.0128 56.2319 29.0346 175.2681 614 Y 5.1821 6.4649 117.0897 56.5388 40.8799 175.5921 615 S 4.3210 8.7685 114.1846 58.4048 65.1254 173.8154 616 H 4.4586 8.0972 126.7268 53.8209 32.3713 172.4493 617 P 4.2262 0.0000 0.0000 65.1058 31.2510 176.6755 618 N 5.0786 8.1714 115.3313 52.6368 39.2746 172.9657 619 I 4.8339 7.3501 118.4705 58.9670 40.0924 175.7964 620 V 3.7869 8.4411 127.2664 63.4770 31.9820 175.5386 621 R 4.1391 9.2861 129.2898 55.9350 31.3097 174.9433 622 L 4.3118 8.2956 128.2811 55.1603 42.3409 175.8511 623 I 4.4044 8.6024 127.1747 62.6410 39.0830 175.6225 624 G 4.2181 7.2592 106.5348 46.0581 0.0000 172.1432 625 V 4.8444 8.6216 119.6599 61.4220 34.6185 174.4557 626 C 5.1600 9.6976 127.2392 57.6355 27.8479 173.5795 627 T 4.4562 8.0694 110.4936 61.4581 69.6294 175.9532 628 Q 4.0952 8.2456 122.1149 58.2196 29.9300 175.4120 629 K 4.7352 7.6545 116.1001 55.0740 36.5559 175.5430 630 Q 4.2847 8.3998 120.7142 54.2941 29.9046 174.2949 631 P 4.4404 0.0000 0.0000 61.8253 32.8273 175.9569 632 I 4.0562 7.8579 121.1431 61.8167 38.3393 174.5461 633 Y 5.7407 8.7123 122.9851 56.4374 42.2184 174.4568 634 I 4.7189 9.2076 123.3035 59.6702 39.9671 174.6311 635 V 4.7204 8.9814 128.1218 61.6624 33.2489 174.5876 636 M 5.3929 9.3366 126.8649 52.7657 36.6094 174.6020 637 E 4.2605 8.7474 118.7421 56.9300 30.3261 176.1822 638 L 4.3808 8.4108 124.0935 54.0594 43.5907 176.1994 639 V 4.1958 8.2707 126.0828 61.1453 31.4436 175.6528 640 Q 4.1806 8.5120 125.8158 57.5134 28.9226 177.6414 641 G 3.7215 8.0355 106.0156 45.4336 0.0000 175.1363 642 G 3.8230 7.8519 108.6607 44.8104 0.0000 172.7269 643 D 5.0335 8.3157 117.9496 53.3107 41.6570 176.8465 644 F 4.5892 9.1703 123.4517 61.0668 39.4146 177.7048 645 L 3.8214 8.0861 119.8164 58.4128 41.9880 178.8496 646 T 3.8346 8.3205 115.6320 66.5079 68.3563 176.0375 647 F 4.0418 8.2277 122.5538 61.6082 39.2592 177.0986 648 L 3.6581 8.1518 118.5618 57.9193 41.1686 179.7178 649 R 4.0106 7.6463 116.5456 58.0710 30.1675 178.0147 650 T 4.3166 7.6503 108.3414 62.2322 70.3550 175.5880 651 E 4.4703 8.2672 118.9993 55.6501 30.9621 178.0751 652 G 3.6896 7.9173 107.2665 46.8855 0.0000 175.1750 653 A 4.1286 7.7853 120.9261 53.7370 18.6719 177.9295 654 R 4.3650 7.4787 114.4157 55.9048 31.2334 176.6201 655 L 4.2607 7.2654 118.7577 54.2334 42.5339 177.6772 656 R 4.2712 8.3256 121.6946 55.6552 32.3462 178.1270 657 V 3.6741 8.3274 120.9260 66.0395 31.6346 178.2718 658 K 3.9439 8.1260 118.9743 59.8900 32.0069 178.7294 659 T 3.9393 7.8892 115.3979 66.6041 68.5101 176.4451 660 L 4.0500 7.9337 120.8929 57.8374 41.5858 179.5115 661 L 4.2568 8.5407 119.3162 57.9749 41.4902 179.4304 662 Q 4.0258 8.1906 119.3762 59.5374 29.1535 178.2326 663 M 3.9727 8.1966 119.7168 58.4874 31.8910 179.1857 664 V 3.9146 8.1978 112.6282 63.9509 31.6551 178.9052 665 G 3.8450 8.4977 105.9844 47.8331 0.0000 175.2594 666 D 4.4020 8.5393 121.5478 57.3227 40.8622 179.0102 667 A 3.9962 7.9877 120.3853 55.0963 18.3689 179.5332 668 A 3.7011 8.7096 119.4047 55.1054 18.4227 179.5760 669 A 3.2478 8.1749 119.7863 54.9932 18.2847 180.1075 670 G 3.3041 7.9157 103.9916 48.2422 0.0000 175.8831 671 M 3.6446 7.8282 121.5686 57.5450 31.4622 178.4026 672 E 3.8967 8.1983 119.9503 59.3560 29.6861 178.0575 673 Y 3.9570 7.8650 119.5058 60.8682 38.6999 178.1844 674 L 3.7348 7.9238 119.7756 57.8240 41.7068 179.2313 675 E 3.9695 8.4331 119.6707 59.2172 29.3497 179.0231 676 S 4.1409 7.8261 113.4819 60.6918 63.0465 175.6159 677 K 4.1656 7.1087 119.4498 55.4290 32.0910 176.2742 678 C 3.9300 7.7529 116.4125 60.7839 26.2389 171.8024 679 C 4.9560 8.2421 119.6308 57.9833 32.4162 172.8389 680 I 4.6501 8.7065 127.7498 59.8593 38.4231 176.0158 681 H 3.9393 10.0869 126.6656 58.7999 29.8137 177.7218 682 R 4.2833 8.8592 114.5968 56.6776 28.9885 175.7302 683 D 4.8258 7.7097 116.5006 53.1123 41.5274 175.1767 684 L 3.9603 8.2385 120.0548 54.8236 43.1524 175.2877 685 A 4.4884 8.2389 125.3769 51.2662 21.9175 176.4487 686 A 4.3561 9.1302 124.2313 55.5387 18.4872 180.7658 687 R 4.1646 8.0347 110.3070 58.8657 29.5761 176.8006 688 N 4.8640 8.2582 114.5518 53.1683 39.8810 174.2373 689 C 5.1605 8.1713 117.6613 58.3152 31.0056 172.7737 690 L 5.2805 8.8623 120.7452 52.9854 46.0292 175.5981 691 V 4.7066 8.3981 121.8256 61.0346 34.0971 175.7880 692 T 4.3314 8.9022 118.9132 60.8063 69.4750 175.1457 693 E 4.0239 8.6309 119.2848 58.4187 29.5379 177.7515 694 K 4.4305 7.8718 117.6847 55.7150 32.3953 175.4510 695 N 3.9614 7.9894 114.2845 54.1281 36.7932 174.2399 696 V 4.0165 7.5295 118.2521 62.4281 32.8488 174.3927 697 L 4.8037 8.5739 130.2185 53.8463 43.2108 175.7247 698 K 4.7584 8.9674 125.0948 54.5635 36.0963 175.4293 699 I 4.2992 8.6468 125.4556 61.3490 38.4867 175.2071 700 S 4.8920 8.4059 120.9825 58.8449 65.4421 172.9383 701 D 4.2991 8.8842 106.9182 56.3367 38.7993 173.6338 702 F 4.3246 8.5134 119.1277 56.9615 39.4533 178.3548 703 G 3.6905 8.2016 113.0081 48.4463 0.0000 175.0923 704 M 4.3487 7.7598 116.7813 55.0447 32.6234 176.2398 705 S 4.7615 7.4579 113.9805 58.3893 64.3279 174.0233 706 R 4.7270 9.0824 119.8832 54.5564 34.6262 173.5538 707 E 5.0903 8.8387 123.3064 54.7047 31.5275 174.9383 708 E 4.5660 9.2899 126.1588 54.5035 32.5892 176.1845 709 A 3.9622 9.0710 128.8004 55.0336 18.4723 177.6076 710 D 4.6213 8.1543 112.1534 54.1823 41.3187 177.3548 711 G 4.0162 8.6790 108.3100 45.1734 0.0000 173.4678 712 V 4.7080 7.2178 117.1897 59.9400 34.2134 173.4737 *714 A 4.2505 8.5000 121.2307 51.7886 18.9494 176.7125 715 A 4.1690 8.6633 126.5940 53.0968 18.8456 177.8737 716 S 4.2464 8.5998 116.7727 58.7794 63.8294 174.4713 717 G 3.9743 8.8684 109.8071 45.8372 0.0000 173.9677 718 G 3.9732 8.7762 108.6869 44.1979 0.0000 173.1256 719 L 4.1595 8.0767 118.4691 54.9883 42.1373 177.3131 720 R 4.6122 8.1678 119.3009 54.4310 33.9137 174.6437 721 Q 4.4022 8.5784 121.7452 54.4830 29.7261 174.9229 722 V 4.4274 8.2039 125.4622 60.4045 33.7883 174.3270 723 P 4.6631 0.0000 0.0000 61.2826 30.0611 176.4431 724 V 3.5725 8.4244 127.0739 66.9597 31.5889 178.2754 725 K 4.0081 8.2468 115.8298 57.9390 31.9178 177.5206 726 W 4.7243 8.5549 117.6301 56.7144 29.8646 175.8703 727 T 4.5312 7.9071 116.3373 61.5009 69.4425 175.2023 728 A 2.5800 8.0720 127.7975 50.9692 20.1870 176.4038 729 P 3.7925 0.0000 0.0000 65.6283 31.4756 179.1421 730 E 3.8210 7.5634 115.3338 58.8833 29.5720 178.9711 731 A 3.5973 7.3001 122.8434 54.0069 18.2677 179.0907 732 L 3.7013 7.4438 117.8747 58.1179 42.3710 178.3809 733 N 4.4049 7.8610 114.8542 53.8370 37.8837 175.5242 734 Y 4.9103 7.1764 115.8104 56.5198 39.6528 175.6264 735 G 3.7199 7.8376 108.4044 46.2111 0.0000 173.6619 736 R 4.4992 7.5962 121.3011 55.0299 29.2347 174.5889 737 Y 4.6614 8.2700 123.7357 56.8281 39.6978 175.3625 738 S 4.7437 9.0171 118.1168 56.4448 67.6198 175.6969 739 S 4.3627 8.8178 117.7642 61.9839 62.2862 176.9267 740 E 4.0287 8.2440 121.1514 59.2299 29.1038 179.2373 741 S 4.2878 8.1234 114.2546 61.4534 63.2159 176.2504 742 D 4.6791 8.5169 122.5793 57.2907 40.4655 178.9267 743 V 3.5988 7.9809 119.0574 65.3570 31.5443 177.7549 744 W 4.6059 8.1511 129.7832 60.3098 30.5775 178.1518 745 S 4.7847 8.5342 115.0367 61.6648 62.2550 176.4855 746 F 4.2982 8.8860 123.6516 61.2745 39.3129 177.0460 747 G 3.7308 8.5985 105.6838 48.2602 0.0000 175.6185 748 I 4.0711 8.0996 121.9336 63.9516 37.0801 178.0981 749 L 4.3719 8.6816 121.7055 58.5186 41.8559 179.0474 750 L 4.1245 8.3727 119.1613 57.6618 41.6264 179.3878 751 W 4.2977 8.4425 128.1998 60.5166 30.6836 178.0130 752 E 4.2052 8.7465 120.2200 59.0581 28.8816 179.4535 753 T 3.5563 8.1723 115.8615 66.6176 68.4531 176.3261 754 F 4.2041 7.9230 116.4079 58.2832 39.0590 176.8731 755 S 4.1207 7.6267 113.8097 57.0410 63.2483 173.8747 756 L 3.8775 8.6508 121.4933 56.0309 39.4433 175.0440 757 G 3.7309 8.5717 102.4877 45.6700 0.0000 174.4462 758 A 4.1783 6.8820 121.2201 51.7525 18.9128 178.4948 759 S 4.6022 8.5257 116.6035 57.4917 63.7050 172.9135 760 P 3.4623 0.0000 0.0000 63.4139 32.5918 175.5603 761 Y 3.3516 7.2692 116.5498 58.5027 35.1602 170.5070 762 P 4.2921 0.0000 0.0000 65.2117 32.0054 177.2990 763 N 4.8218 8.0417 113.8489 52.5960 38.9614 173.9357 764 L 4.8078 7.6032 119.0015 52.4706 43.9935 177.2326 765 S 4.4051 9.4752 118.9285 57.9497 65.1065 175.2917 766 N 4.2228 8.5340 118.5214 56.4217 38.2260 177.4379 767 Q 3.8916 7.9309 120.3875 59.3529 29.2394 178.0808 768 Q 4.1713 8.0609 119.0543 59.1810 28.5954 178.9975 769 T 3.5951 7.9689 116.8763 66.6372 68.4225 176.6667 770 R 3.8262 7.7990 119.8890 59.4552 30.1072 179.0435 771 E 3.9467 8.0295 117.6661 59.2026 29.4336 179.0487 772 F 4.1720 8.3727 120.8199 61.3717 39.4454 177.3701 773 V 3.9663 8.0931 119.5205 65.6472 31.1430 177.7527 774 E 4.0467 7.9693 117.1797 59.0906 29.3319 178.5734 775 K 4.2802 7.6373 115.8167 56.2703 32.3677 177.6795 776 G 3.8862 7.9687 108.4701 44.7446 0.0000 174.4425 777 G 2.1967 7.6436 110.1560 44.9043 0.0000 173.3823 778 R 4.7792 7.8662 120.7427 53.6609 34.3985 175.0254 779 L 3.6875 7.4629 119.7286 54.0909 41.9631 175.8714 780 P 4.6124 0.0000 0.0000 62.1575 32.2007 175.6205 781 C 3.5718 8.0142 119.9756 58.4415 31.8783 171.8508 782 P 4.2515 0.0000 0.0000 61.9059 31.6363 175.3897 783 E 4.0688 8.4170 122.4102 57.5762 29.8708 176.8646 784 L 3.6304 8.7044 123.8741 55.1018 39.4915 173.9451 785 C 4.0875 7.8282 120.0141 58.6509 32.0043 172.3142 786 P 4.3485 0.0000 0.0000 62.8517 32.8208 176.9945 787 D 4.4170 8.6779 120.7340 57.6638 40.9362 179.1634 788 A 4.0082 7.9092 120.6325 54.8394 18.3001 179.7621 789 V 3.4262 7.5552 116.7255 65.9881 31.5792 177.9132 790 F 4.2243 8.0652 120.1621 61.2851 39.2713 177.1283 791 R 3.7732 8.2888 118.1735 59.1741 29.8645 178.7297 792 L 3.9292 7.6527 119.6631 58.3310 42.2393 178.6030 793 M 3.2431 7.7856 118.7828 58.3671 31.5826 178.5444 794 E 3.6226 7.1256 116.8135 59.4934 30.0005 179.2201 795 Q 4.0176 7.7651 117.8117 59.1537 28.2543 178.7097 796 C 4.1211 7.7517 117.5635 61.5816 27.7506 174.7894 797 W 4.0212 6.7667 118.5925 55.1498 30.2454 176.2775 798 A 4.2525 7.3316 121.8192 52.3135 18.5488 178.2271 799 Y 4.3318 8.9743 123.6887 60.6077 39.3973 176.5591 800 E 4.3078 8.3085 120.1393 54.8476 30.6156 175.5881 801 P 4.2792 0.0000 0.0000 65.8001 31.4037 178.6428 802 G 3.7887 8.1781 106.5851 47.9708 0.0000 173.7935 803 Q 4.3137 7.8596 116.7183 56.3916 29.3654 176.3525 804 R 4.3903 7.6076 117.6955 54.6221 30.9095 174.7074 805 P 4.4144 0.0000 0.0000 62.3490 32.2415 177.0009 806 S 4.2093 8.1811 115.1495 58.3071 64.8328 175.6503 807 F 4.0954 8.4039 122.3157 60.6325 38.6419 178.2109 808 S 4.4852 8.0547 115.8619 61.4596 62.7583 176.6123 809 T 3.8814 7.8652 117.7295 66.6523 68.1613 176.6230 810 I 3.6724 7.9694 121.8682 64.5051 37.0812 177.7983 811 Y 4.2679 8.5303 120.6986 60.8540 38.6093 177.9109 812 Q 3.8360 8.1472 120.3955 59.0919 29.1593 177.9500 813 E 3.8729 8.2262 120.2290 59.3257 29.6649 178.7127 814 L 4.1159 8.2727 119.4125 57.9882 41.6060 179.6265 815 Q 3.9110 8.1401 118.1837 58.7822 28.3451 178.7254 816 S 4.0380 7.9209 113.3829 61.2806 62.8809 175.8392 817 I 3.8358 8.1977 122.8519 64.4425 36.9337 178.1046 818 R 3.9212 8.2690 119.6409 59.7361 29.6864 178.4589 819 K 3.9395 8.1656 116.9104 59.6537 32.1451 178.8437 820 R 4.1589 7.7355 115.4145 57.6357 30.2330 176.0899 821 H 4.3072 8.0372 123.6735 56.2006 29.8770 174.4854 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 446 S 8.33 4.41 0.00 3.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 M 8.16 4.45 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 448 I 9.04 3.91 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.90 0.00 0.00 449 P 0.00 4.32 0.00 2.18 1.99 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 450 E 9.12 3.89 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 451 V 7.73 3.75 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 0.92 0.00 0.00 1.01 0.00 0.00 452 Q 7.86 4.29 0.00 2.52 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 453 K 7.83 4.22 0.00 1.84 1.65 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.34 7.81 454 P 0.00 4.28 0.00 2.12 2.13 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 455 L 8.35 3.43 0.00 1.28 1.13 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 456 H 7.97 3.88 0.00 3.03 3.27 0.00 5.97 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 E 7.83 4.28 0.00 2.05 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 2.28 2.25 0.00 458 Q 7.56 3.73 0.00 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.79 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 459 L 8.11 3.85 0.00 1.64 1.65 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 460 W 7.07 4.86 0.00 3.33 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 0.00 461 Y 7.56 5.25 0.00 2.67 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 0.00 462 H 8.77 4.94 0.00 3.04 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 G 6.20 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 A 6.97 4.22 1.24 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 0.00 0.00 0.00 465 I 7.71 3.49 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.90 0.00 0.00 466 P 0.00 4.55 0.00 2.35 1.98 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 467 R 8.76 3.90 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 468 A 7.98 4.30 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 E 7.97 3.86 0.00 2.20 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 2.32 2.34 0.00 470 V 7.89 3.53 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 1.11 0.00 0.00 0.97 0.00 0.00 471 A 7.60 3.97 1.40 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 0.00 0.00 472 E 7.79 3.99 0.00 2.41 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 2.32 2.23 0.00 473 L 8.01 4.45 0.00 1.59 1.67 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 474 L 7.63 4.20 0.00 1.75 1.65 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 475 V 8.07 3.84 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 476 H 9.06 4.94 0.00 3.21 3.17 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 477 S 8.48 4.34 0.00 3.63 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 0.00 478 G 9.13 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 0.00 0.00 0.00 0.00 479 D 8.14 5.26 0.00 2.77 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 0.00 480 F 9.14 5.67 0.00 3.06 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 0.00 481 L 8.54 5.04 0.00 1.99 1.78 0.98 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 482 V 9.72 5.33 2.76 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 1.37 0.00 0.00 1.20 0.00 0.00 483 R 9.19 5.00 0.00 2.08 2.01 0.00 2.84 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 484 E 8.75 4.68 0.00 2.32 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 2.20 1.93 0.00 485 S 8.96 4.00 0.00 3.94 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 *489 Q 7.72 4.10 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 490 E 8.08 4.56 0.00 1.59 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 2.21 1.90 0.00 491 Y 8.64 4.92 0.00 3.06 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 0.00 492 V 9.69 4.88 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 1.05 0.00 0.00 1.01 0.00 0.00 493 L 9.52 5.07 0.00 1.90 1.85 1.11 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 494 S 9.03 5.13 0.00 3.95 3.84 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 0.00 495 V 8.93 4.55 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 0.93 0.00 0.00 *501 P 0.00 4.53 0.00 2.07 2.16 0.00 3.71 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 1.88 1.99 0.00 502 R 8.32 4.43 0.00 1.47 1.83 0.00 3.20 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 503 H 8.12 4.84 0.00 2.88 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 F 9.27 4.83 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 I 8.56 4.36 1.96 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 1.40 0.52 0.99 0.00 0.00 506 I 8.60 4.23 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 1.19 0.00 0.00 *511 N 8.16 4.43 0.00 2.77 2.70 0.00 0.00 6.18 7.79 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 0.00 512 L 7.10 5.13 0.00 1.35 1.39 0.92 0.88 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 0.00 513 Y 9.49 4.68 0.00 2.90 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 0.00 514 R 8.43 4.84 0.00 1.55 1.66 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 0.00 515 L 8.52 4.56 0.00 1.57 1.65 0.79 0.90 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 *520 F 7.60 4.45 0.00 3.20 3.12 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 0.00 521 P 0.00 4.50 0.00 2.14 2.21 0.00 3.88 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 2.12 2.16 0.00 522 S 7.79 4.72 0.00 3.90 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 0.00 523 I 7.63 3.64 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.36 0.93 0.00 0.00 524 P 0.00 4.61 0.00 2.40 2.32 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 525 L 7.55 3.92 0.00 2.10 1.76 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 526 L 7.62 2.95 0.00 1.83 1.79 1.02 0.96 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 0.00 527 I 7.71 3.38 1.57 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 -0.01 0.37 0.00 0.00 528 D 8.02 4.18 0.00 2.79 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 0.00 529 H 7.67 3.99 0.00 2.86 2.93 0.00 5.84 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 0.00 530 L 7.68 3.70 0.00 1.59 1.43 0.71 0.33 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 0.00 531 L 7.59 3.82 0.00 1.69 1.61 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 532 S 8.45 4.19 0.00 3.70 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 0.00 533 T 8.45 4.21 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 1.14 0.00 0.00 534 Q 7.97 3.48 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.93 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 0.00 799 Y 8.97 4.33 0.00 3.04 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 0.00 800 E 8.31 4.31 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 801 P 0.00 4.28 0.00 2.21 2.44 0.00 3.70 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 2.05 1.91 0.00 802 G 8.18 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 0.00 0.00 0.00 803 Q 7.86 4.31 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 804 R 7.61 4.39 0.00 1.90 1.81 0.00 3.36 0.00 0.00 3.64 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 805 P 0.00 4.41 0.00 2.06 1.97 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 806 S 8.18 4.21 0.00 3.85 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 0.00 807 F 8.40 4.10 0.00 3.08 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 0.00 808 S 8.05 4.49 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 T 7.87 3.88 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 810 I 7.97 3.67 1.91 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.73 0.00 0.00 811 Y 8.53 4.27 0.00 3.04 3.19 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 0.00 812 Q 8.15 3.84 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 813 E 8.23 3.87 0.00 2.11 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 2.27 2.38 0.00 814 L 8.27 4.12 0.00 1.93 1.81 1.29 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 815 Q 8.14 3.91 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 816 S 7.92 4.04 0.00 3.82 4.11 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 0.00 817 I 8.20 3.84 2.02 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 1.40 0.98 0.93 0.00 0.00 818 R 8.27 3.92 0.00 1.97 2.08 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 819 K 8.17 3.94 0.00 1.93 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.62 7.81 820 R 7.74 4.16 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 821 H 8.04 4.31 0.00 3.25 3.22 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.