NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 446 S 4.4241 8.3344 115.4120 58.4430 64.3998 172.0138 447 M 4.4883 8.1633 119.5341 52.9772 34.2116 173.4248 448 I 3.9974 9.0129 128.1140 60.0547 39.1357 173.8242 449 P 4.3354 0.0000 0.0000 62.5047 32.1120 176.7981 450 E 3.9335 9.0495 123.4863 59.3682 29.6411 179.4787 451 V 3.7216 7.7277 116.1642 64.2646 31.5423 176.6099 452 Q 4.2674 7.8155 117.8953 56.2967 28.9129 176.0648 453 K 4.3334 7.7453 118.6199 54.3372 33.3134 175.1232 454 P 4.2571 0.0000 0.0000 62.5656 32.1292 176.6991 455 L 3.4387 8.5205 122.7365 58.6308 41.8115 178.6830 456 H 4.0956 7.9594 115.8499 59.1287 29.5690 175.1564 457 E 4.2515 7.8518 116.2910 56.7593 30.0985 176.5404 458 Q 3.7627 7.9132 120.1253 54.9623 29.2886 177.3499 459 L 3.8844 8.1298 122.1238 56.8638 42.0247 178.4722 460 W 5.0426 7.1352 113.2390 55.3450 28.1546 174.4064 461 Y 5.1027 7.5475 122.0670 57.5470 38.5028 175.1449 462 H 4.8228 8.7565 123.5475 53.6652 30.9799 176.9335 463 G 3.7201 6.0992 111.0040 45.0010 0.0000 174.5948 464 A 4.6560 7.6597 123.1095 51.4314 18.7523 177.9585 465 I 3.6149 7.3492 119.4390 62.4575 38.0022 174.9371 466 P 4.5931 0.0000 0.0000 62.4671 33.3277 178.0650 467 R 3.9795 8.5803 120.8236 61.8953 29.0814 179.2237 468 A 4.2143 8.1370 121.1383 55.4455 18.2529 179.5318 469 E 3.9379 7.8762 115.4185 59.2593 29.3761 179.7335 470 V 3.5380 7.7874 118.1599 66.1214 31.4558 177.8529 471 A 3.9975 8.0159 118.4734 55.1501 18.1926 178.8138 472 E 4.0125 7.7552 116.8451 59.5788 29.8775 178.8332 473 L 4.3775 7.8148 117.6671 56.5294 41.8756 177.2200 474 L 4.2014 8.0398 119.7298 54.3403 40.4645 175.9650 475 V 3.9854 7.9501 121.9389 63.9830 33.1792 176.1700 476 H 4.7366 7.8174 117.8705 54.4616 30.4837 175.4303 477 S 4.3210 8.3932 117.6968 59.9809 62.2016 174.8030 478 G 4.1110 9.0602 114.0684 44.1315 0.0000 172.3686 479 D 5.1318 7.9880 120.7516 54.6654 41.9413 175.5265 480 F 5.5343 8.9451 116.9008 55.8990 41.8790 172.8523 481 L 5.1193 9.1778 119.1864 54.7225 44.4844 174.5453 482 V 5.2977 9.2427 119.8383 61.6754 34.6188 174.5262 483 R 4.9572 9.0179 121.7917 55.6206 33.4613 172.6249 484 E 5.1886 8.8152 120.2342 54.3842 31.5621 175.3821 485 S 4.2714 9.0104 124.4448 58.4574 63.1164 175.6752 486 Q 4.2067 8.3227 129.4245 54.4946 26.4379 174.6546 *489 Q 4.1563 7.8307 117.7354 54.8584 30.7047 177.1295 490 E 4.2414 7.9349 117.6992 57.9215 30.7525 179.2425 491 Y 5.1715 8.6439 121.9255 56.1026 40.9160 174.6385 492 V 4.8519 9.2255 121.2828 61.2630 35.1463 174.1717 493 L 4.6019 9.4881 131.1349 54.3633 42.9066 174.9495 494 S 5.3761 9.4477 126.7079 58.0592 64.5027 175.9980 495 V 5.1385 9.3889 121.7157 58.6783 34.4311 170.2303 *501 P 4.3363 0.0000 0.0000 64.2180 30.8859 177.6067 502 R 4.0957 8.7584 122.2785 57.4526 31.5216 178.4151 503 H 5.0110 8.4486 120.6322 53.6644 30.3581 173.5597 504 F 4.6805 9.1065 123.7210 55.6626 40.5080 175.7414 505 I 4.4096 8.4535 125.7037 61.5613 37.6953 176.6488 506 I 4.1228 8.6724 131.1969 61.1360 39.3366 176.6049 *511 N 4.3877 8.4442 116.7828 52.4319 37.7537 168.6464 512 L 5.0691 7.5496 122.8671 52.6268 45.9541 174.9064 513 Y 4.9192 9.0751 119.9090 57.3836 40.7507 176.2390 514 R 4.7430 8.6031 121.6685 56.6765 33.6098 172.8329 515 L 4.4995 8.5345 114.7069 56.3849 42.5935 176.8907 *520 F 4.4963 7.6103 117.8374 56.5385 39.8775 173.9649 521 P 4.8406 0.0000 0.0000 64.3310 31.5248 176.5805 522 S 4.7637 7.7728 113.5830 56.2126 67.1441 174.7911 523 I 3.5277 7.6257 123.4226 63.9679 36.8901 176.8237 524 P 4.5931 0.0000 0.0000 65.8071 31.1706 178.6068 525 L 3.9178 7.8070 117.5236 57.3591 41.3703 179.3645 526 L 3.0775 7.4351 120.3845 57.8739 42.0432 179.0549 527 I 3.3079 7.6581 119.8825 64.2325 36.9880 177.8934 528 D 4.2499 8.0923 121.2412 58.1975 41.1655 178.5621 *529 H 3.9815 7.6993 119.3009 59.6179 27.8223 179.2734 530 L 4.0124 7.7771 122.1352 57.4017 41.2548 179.2273 531 L 3.7682 7.9832 119.2326 58.3024 42.1629 178.4382 532 S 4.2003 8.3390 112.5749 60.7984 62.7207 175.0561 533 T 4.2268 7.8585 109.2477 60.7911 69.4076 175.1484 534 Q 3.9646 8.0573 122.2315 57.3021 27.0368 174.3687 535 Q 4.1809 7.3058 115.4612 53.8307 28.7220 177.4626 536 P 4.5788 0.0000 0.0000 62.0664 32.2118 176.6715 537 L 3.6928 8.1518 121.9965 57.5807 41.8613 178.0331 *543 V 3.8149 7.4919 117.2202 62.4661 32.3136 173.8812 544 V 4.5948 8.0464 125.7543 60.6016 33.8906 175.0360 545 L 4.1527 8.1555 126.7676 55.2400 42.2925 175.1922 546 H 4.7220 9.8725 121.1380 57.2872 31.9982 173.6670 547 R 4.6519 7.8676 117.6073 54.3307 33.2491 173.4797 548 A 2.9541 8.3964 128.5807 51.3913 19.3771 176.4438 549 V 4.2329 8.3016 123.2518 60.6211 32.9937 173.6463 550 P 4.8865 0.0000 0.0000 62.0444 32.5334 176.2912 551 K 4.1660 8.5993 121.6074 56.6062 32.7328 176.9369 552 D 4.6913 8.6454 123.3322 52.2157 40.5505 177.2073 553 K 3.9216 8.3231 117.8909 58.6691 32.6411 177.8386 554 W 4.3883 8.5962 119.7854 57.8538 29.6403 176.3107 555 V 4.2821 7.5384 119.7057 63.0077 31.5432 175.3211 556 L 4.8925 9.0026 127.5409 52.7278 45.2950 175.9642 557 N 4.6598 8.8998 120.6161 53.4209 39.5806 175.8571 558 H 4.1771 9.3159 119.5156 59.1049 29.0059 177.4502 559 E 4.1962 8.1552 115.2532 58.4356 29.9439 177.2775 560 D 4.5295 8.1841 119.4176 55.3787 41.1915 175.0542 561 L 5.1318 7.7391 121.8054 53.0206 44.6527 175.5947 562 V 4.2362 8.7825 126.7841 61.0741 33.0588 174.4142 563 L 4.2277 8.5286 130.7558 54.8670 42.6589 176.6279 564 G 4.4753 8.6796 113.8546 45.5497 0.0000 172.6463 565 E 4.5577 8.7981 120.6315 55.8883 31.1901 176.4124 566 Q 4.3940 8.9089 123.6785 56.6323 29.2814 175.8494 567 I 4.4375 8.4172 117.9378 60.5724 39.6562 174.8684 568 G 4.1399 7.4586 108.1586 46.9611 0.0000 172.2913 569 R 5.0769 8.4985 114.3336 55.2042 32.3087 174.7326 570 G 4.0837 8.7821 107.6251 44.7957 0.0000 172.5646 571 N 4.4919 8.7931 115.6751 54.1499 37.8294 175.4035 572 F 4.5681 8.8637 117.4489 57.3000 40.8395 174.4437 573 G 3.7580 7.3339 107.6598 44.3147 0.0000 172.9020 574 E 4.4545 8.7568 121.0547 56.1926 31.3034 176.0932 575 V 4.7585 8.2647 121.9302 61.1595 34.6006 174.4321 576 F 5.4247 9.1340 125.9141 55.5007 42.9521 175.0790 577 S 4.8502 9.1534 116.9012 58.6734 65.0820 172.8143 578 G 4.2497 8.5080 106.2636 46.0729 0.0000 172.1908 579 R 5.2568 8.6159 117.4963 54.0536 34.8345 175.2800 580 L 4.4989 8.9600 123.6519 54.6959 42.0195 178.2496 581 R 3.9145 8.7833 124.9982 59.4188 30.0960 177.8348 582 A 4.1951 8.1289 121.3573 54.5215 18.6467 177.6311 583 D 4.6799 7.4584 110.3336 52.6675 40.6464 175.6019 584 N 4.3213 8.4957 114.6579 54.1518 37.0149 174.3956 585 T 3.9652 8.0300 116.4625 64.0389 69.4117 173.6264 586 L 4.7054 8.5234 126.4604 54.9546 42.6020 176.6676 587 V 4.7327 8.8709 115.2002 59.7450 36.7572 173.9497 588 A 5.0773 8.8911 124.1117 50.4999 21.5914 176.4431 589 V 4.7023 8.9590 121.2260 61.0505 34.6750 174.1145 590 K 4.9146 9.1483 130.9731 55.4043 33.4704 175.7120 591 S 5.6426 9.1860 122.1199 56.8656 66.1468 172.8521 592 C 4.6737 7.4678 118.2774 57.1107 33.1765 173.6513 593 R 4.0413 9.1397 128.0035 56.2108 30.1062 177.2053 594 E 4.0183 8.7428 125.0354 58.9396 29.6995 177.6766 595 T 4.2359 7.7231 106.9435 61.8811 69.4440 174.9403 596 L 4.2134 7.2797 122.6083 53.8176 42.4963 175.6818 597 P 4.3810 0.0000 0.0000 62.2806 33.1716 175.9969 598 P 4.2869 0.0000 0.0000 65.9750 31.1285 178.7866 599 D 4.4406 8.0980 116.2264 57.1033 40.9015 178.3686 600 L 4.1714 7.7359 120.3974 58.2282 42.4395 178.8516 601 K 4.0970 8.3117 118.2224 59.4943 31.7466 179.0768 602 A 4.1482 8.1092 120.9816 54.4339 18.6322 178.1880 603 K 4.3707 8.3372 114.5030 57.0234 32.9365 178.4877 604 F 3.1829 8.0031 121.0747 61.0975 39.4593 176.4125 605 L 3.8231 7.7177 115.8228 55.4461 41.4361 178.3187 606 Q 3.8228 7.7096 121.2687 59.3657 28.9308 178.0858 607 E 3.7673 7.8243 119.2616 59.0492 29.5736 178.5468 608 A 3.6252 7.4366 120.2318 55.0803 18.3309 179.3989 609 R 3.6303 7.7583 115.6612 59.4949 30.4252 179.1424 610 I 3.4648 7.6487 119.3802 64.3995 37.2151 178.6557 611 L 3.4071 7.3970 119.2574 56.9232 41.1035 179.3861 612 K 2.6821 7.2428 118.2395 59.1726 31.9065 178.4462 613 Q 4.1843 7.2610 116.0545 56.3479 29.1191 175.4142 614 Y 5.2030 6.7417 117.1143 56.5283 40.4723 175.7545 615 S 4.3580 8.8417 117.0039 58.1074 64.8027 173.2518 616 H 4.4699 8.1685 126.7053 53.8626 32.4036 172.4797 617 P 4.2512 0.0000 0.0000 65.0128 31.4590 176.7085 618 N 5.0393 8.1504 115.6024 52.7214 38.9779 173.2176 619 I 4.9142 7.4065 118.8768 58.9734 40.1914 175.7976 620 V 3.7718 8.4642 127.1439 63.5406 32.0967 175.3332 621 R 4.2262 9.2271 129.0377 55.5403 31.2986 175.1352 622 L 4.2218 8.3793 128.7244 55.4905 42.2529 175.9845 623 I 4.3890 8.6903 126.9903 62.7661 39.1306 175.5814 624 G 4.2154 7.3150 106.4575 45.9885 0.0000 172.2143 625 V 4.7967 8.6286 119.6205 61.4242 34.6122 174.4986 626 C 5.1557 9.6259 127.3147 57.5467 27.8168 173.5661 627 T 4.4280 7.9693 110.3450 61.4734 69.2040 176.3026 628 Q 4.1002 8.2148 122.7866 58.6718 29.8880 175.5333 629 K 4.5337 7.6588 115.8980 55.1512 36.4951 175.6924 630 Q 4.3085 8.4094 120.5985 54.4640 29.7472 174.4253 631 P 4.3387 0.0000 0.0000 62.2743 31.2296 176.1501 632 I 4.1337 7.8393 121.5713 61.6927 38.4297 174.4955 633 Y 5.6093 8.7326 122.5109 56.4835 42.5479 174.2822 634 I 4.6635 8.8838 122.8269 59.6988 39.8187 174.6716 635 V 4.7240 9.0153 127.8881 61.6534 33.3677 174.5608 636 M 5.3863 9.0914 126.7840 52.8303 36.7214 174.5266 637 E 4.2973 8.7719 118.5822 56.8918 30.4485 176.1832 638 L 4.4055 8.3849 123.6895 53.8796 43.6609 176.1726 639 V 4.1117 8.2667 126.8382 61.2978 30.8732 175.9281 640 Q 4.1678 8.5445 126.3642 57.6201 28.8295 177.5819 641 G 3.7719 8.1090 105.9464 44.8464 0.0000 175.3023 642 G 3.8420 7.9274 109.6123 44.8642 0.0000 172.8103 643 D 5.0829 8.2990 117.9199 53.1815 41.6136 176.8935 644 F 4.5567 9.2203 123.8032 61.2480 39.4074 177.5820 645 L 3.8126 8.0746 119.7313 58.4863 42.0334 178.8821 646 T 3.8804 8.7405 116.0992 66.4993 68.3482 176.2758 647 F 4.1114 8.4003 122.4961 61.4479 39.5126 177.1790 648 L 3.7191 8.1199 118.7764 57.8243 41.1223 179.7647 649 R 3.9492 7.8450 117.1587 58.4923 30.0549 178.2885 650 T 4.2156 7.6095 108.5422 62.9959 69.9706 175.9432 651 E 4.4149 8.0675 119.3097 55.6870 30.3160 177.9666 652 G 3.4862 7.6187 106.5163 47.7812 0.0000 175.5901 653 A 4.0692 7.9131 121.1439 53.9305 18.4753 178.0089 654 R 4.3980 7.4798 113.9991 55.8297 31.3492 176.4402 655 L 4.1930 7.4312 119.4355 54.3608 42.3789 177.7520 656 R 4.2905 8.3582 122.1801 55.5038 32.3947 177.9129 657 V 3.6874 8.3662 121.0788 66.0730 31.6253 178.3737 658 K 3.9706 8.2073 118.0993 60.5684 32.1047 179.0972 659 T 3.9376 7.8564 116.1262 66.3012 68.5358 176.4937 660 L 4.0138 7.9124 120.9278 57.9544 41.5700 179.5979 661 L 4.2510 8.5131 119.2284 57.8999 41.4688 179.4464 662 Q 4.0082 8.2945 119.4851 59.4394 29.0816 178.2307 663 M 3.9612 8.2308 119.7236 58.5835 31.9566 179.2787 664 V 3.9232 8.2148 112.5271 63.9331 31.5703 178.8546 665 G 3.8704 8.5173 106.1140 47.9859 0.0000 175.3069 666 D 4.3794 8.5758 121.7318 57.1215 40.7919 178.8804 667 A 3.9931 8.0242 120.7344 55.1867 18.3753 179.5539 668 A 3.7200 8.6690 119.3238 54.9906 18.4516 179.6471 669 A 3.1968 8.1448 119.7158 54.9698 18.3255 180.0500 670 G 3.3615 7.9355 104.0714 48.2862 0.0000 175.8344 671 M 3.6233 7.9323 121.7245 57.5206 31.3234 178.3348 672 E 3.8881 8.1809 119.9663 59.4034 29.8711 178.1658 673 Y 3.9174 7.7533 119.2563 60.7454 38.7415 178.0370 674 L 3.6807 7.9921 119.9494 57.7833 41.7515 179.0956 675 E 3.9541 8.3143 119.5257 59.4371 29.3491 179.0773 676 S 4.1058 7.7764 112.8926 60.7428 62.9448 175.5908 677 K 4.1833 7.1461 119.1440 55.2911 32.1663 176.1007 678 C 3.9202 7.9349 116.4680 60.8670 26.1888 171.7682 679 C 4.9957 8.2947 119.6587 57.7297 32.6049 172.6698 680 I 4.6180 8.8193 128.0345 59.8314 38.5177 175.9647 681 H 3.8487 9.9992 126.4554 59.2957 29.7965 177.4674 682 R 4.3110 9.3571 114.6530 56.5395 28.6530 176.2230 683 D 4.7445 7.6510 117.3888 52.6372 41.2652 174.9472 684 L 3.9488 8.1845 120.3411 54.8217 43.1532 175.2325 685 A 4.5482 8.1306 125.7164 51.2524 21.9524 176.5064 686 A 4.3646 9.4181 124.1067 55.4317 18.5664 180.7839 687 R 4.1504 8.0008 110.8356 58.8113 29.6233 177.0132 688 N 4.7313 8.1507 114.4928 53.1851 39.1816 173.8392 689 C 5.1768 7.8080 116.9162 58.2049 31.0257 172.7748 690 L 5.3096 8.8374 120.5511 52.9860 45.9955 175.5866 691 V 4.7038 8.3144 121.1816 61.1133 34.2425 175.8009 692 T 4.4149 8.6305 118.5235 60.7116 69.5604 175.2637 693 E 3.9896 8.6132 119.4072 58.5409 29.5571 177.7161 694 K 4.3681 7.9163 117.7380 55.8567 32.2133 175.8148 695 N 4.0179 8.0583 114.3217 54.1087 36.6387 174.1244 696 V 4.0245 7.5052 118.8102 62.4146 32.7395 174.6516 697 L 4.7896 8.5789 129.9357 53.8343 43.5000 175.7349 698 K 4.7608 8.7804 123.9693 54.5984 36.4907 175.4460 699 I 4.2677 8.8340 125.8663 61.3466 38.3784 175.0983 700 S 4.9419 8.5657 122.2110 58.7871 65.4487 172.9672 701 D 4.2916 8.8462 106.8197 56.3281 38.6642 173.6399 702 F 4.3159 9.6976 119.9816 56.8075 39.4141 178.4417 703 G 3.7540 8.3264 113.2401 48.6779 0.0000 175.0491 704 M 4.2672 7.7353 116.5585 55.0776 32.5460 176.2932 705 S 4.6817 7.3876 114.1237 57.8453 64.4161 173.9546 706 R 4.5700 8.8933 119.2876 54.6404 34.7702 173.5134 707 E 5.0626 8.7412 123.2514 54.7734 31.4171 174.9371 708 E 4.6186 9.2972 126.0293 54.5761 32.7440 176.1812 709 A 3.9522 9.1259 128.6901 55.1101 18.5301 177.5912 710 D 4.7079 8.2049 112.3265 54.1117 40.9809 177.5910 711 G 4.0307 8.6660 108.8363 44.9070 0.0000 173.9583 712 V 4.6829 7.4293 118.6283 61.1849 34.5262 173.6822 713 Y 4.6913 9.3803 129.4823 55.9886 40.5165 173.8556 714 A 4.9332 7.8748 128.5715 50.1268 20.4153 176.4792 715 A 4.2152 8.5905 125.5653 52.0592 19.3148 177.1172 716 S 4.4901 8.8195 117.0208 57.5862 65.6648 174.4694 717 G 3.6859 9.4836 118.1804 46.1316 0.0000 175.1468 718 G 4.0879 8.7735 113.0889 44.0485 0.0000 173.5606 719 L 4.1250 8.4325 119.1862 55.2713 42.1875 176.7832 720 R 4.6643 8.1984 119.6208 54.3892 33.5614 175.2057 721 Q 4.2926 8.5680 120.2068 54.9270 29.1673 175.5276 722 V 4.3846 8.2379 123.2570 60.2738 33.6640 174.0258 723 P 4.6671 0.0000 0.0000 61.5890 30.3277 176.7068 724 V 3.6481 8.4422 126.7232 66.6154 31.7400 178.3014 725 K 4.1209 8.3354 116.3732 58.0285 31.9425 177.3770 726 W 4.7468 8.6039 117.2848 56.6971 30.1335 175.8614 727 T 4.5497 7.8222 116.0585 61.6181 69.4905 175.2910 728 A 2.5800 8.0769 127.5646 50.8732 20.2955 176.6318 729 P 3.8731 0.0000 0.0000 65.5398 31.5007 179.1803 730 E 3.7720 7.5645 115.5201 58.8321 29.4790 179.0107 731 A 3.4133 7.3987 121.4361 54.7473 18.3186 179.1727 732 L 3.8116 7.9217 118.0329 57.8842 42.2478 178.0879 733 N 4.6880 8.3008 117.9265 54.6698 37.0306 176.4287 *734 Y 4.5483 7.5582 120.0427 57.1463 38.2432 179.1407 735 G 4.1414 7.6119 107.2311 47.4132 0.0000 173.4239 736 R 4.5762 7.0356 121.0213 55.2099 30.2319 174.9288 737 Y 5.0015 8.6771 125.0556 56.6143 41.1650 175.2693 738 S 4.9512 8.1780 114.5843 56.8160 66.5884 176.2724 739 S 4.4017 8.8457 115.5857 61.7964 62.3521 176.7565 740 E 3.9592 8.2598 120.9897 59.6150 29.2928 179.4057 741 S 4.3132 8.0804 114.7085 61.6418 62.8946 176.4144 742 D 4.7133 8.5093 121.8204 57.3676 40.5269 178.9094 743 V 3.4891 8.2070 119.2289 65.5532 31.4303 177.6778 744 W 4.5815 8.1890 129.0280 60.2411 30.4961 178.0296 745 S 4.7233 8.5663 114.4814 61.7722 62.2433 176.3351 746 F 4.2617 9.2852 123.9289 61.4347 39.1391 177.2414 747 G 3.5317 8.5674 105.2476 48.0582 0.0000 175.5250 748 I 3.9978 8.2697 122.3938 64.1065 37.1087 178.2395 749 L 4.3596 8.4560 121.4213 58.2886 41.9250 178.9559 750 L 4.1502 8.2102 119.3072 57.6363 41.5418 179.4062 751 W 4.2217 8.4755 128.3010 60.4405 30.6968 177.7425 752 E 4.0098 8.9498 119.0076 59.8677 28.9854 179.5301 753 T 3.5489 8.0273 115.3323 66.7088 68.4392 176.4973 754 F 4.1849 8.0963 116.8119 58.6570 39.1706 176.8492 755 S 4.1983 7.4101 113.1470 56.8425 63.4150 173.6509 756 L 3.2984 8.5695 120.9384 56.1317 39.4021 175.2003 757 G 3.7537 8.3814 102.8099 45.5544 0.0000 174.3714 758 A 4.1701 7.1277 121.3035 51.6768 18.8947 178.4113 759 S 4.6485 8.5389 117.0873 57.2364 63.7676 172.9927 760 P 3.4853 0.0000 0.0000 63.5996 32.3565 175.5231 761 Y 3.4716 7.3973 116.2590 58.3043 35.3356 170.9148 762 P 4.2971 0.0000 0.0000 65.4941 31.8412 177.0814 763 N 4.8182 8.0168 114.0160 52.5694 38.6950 174.1707 764 L 4.8738 7.6148 118.5080 52.3026 44.6730 177.3257 765 S 4.4423 8.9154 118.3756 57.7804 65.2260 175.2897 766 N 4.2663 8.5684 118.6422 56.6308 38.3277 177.6442 767 Q 3.9748 7.9798 118.8278 59.0394 28.8428 178.6594 768 Q 3.9970 7.8616 118.7180 59.2188 28.6426 179.0302 769 T 3.5945 7.8725 116.7102 66.4258 68.4029 176.3974 770 R 3.7929 7.7926 120.5937 59.6938 30.0017 178.4137 771 E 3.9317 8.0554 117.6958 59.1899 29.4158 178.7991 772 F 4.1466 8.5639 121.2161 61.6323 39.4385 177.4630 773 V 3.9497 8.0530 119.2329 65.5405 31.0850 177.7932 774 E 4.0832 7.9583 117.5490 59.1641 29.3999 178.7031 775 K 4.1932 7.6813 115.7346 56.7939 32.3107 177.8045 776 G 3.9323 7.8237 108.2174 44.7087 0.0000 174.4552 777 G 2.3623 7.5894 109.9225 45.0577 0.0000 173.3237 778 R 4.8371 7.9054 120.4256 53.7854 34.4802 174.9497 779 L 3.7607 7.2900 119.2113 53.9947 41.9675 175.7129 780 P 4.6972 0.0000 0.0000 61.8681 32.4717 175.5161 781 C 3.6425 8.0199 119.8263 58.3919 31.7697 171.7712 782 P 4.2856 0.0000 0.0000 62.0923 31.6132 175.6771 783 E 4.0506 8.5081 120.9728 58.2058 29.6748 177.5595 784 L 3.6736 8.7035 121.1811 54.9415 39.5779 174.1677 785 C 4.1342 7.8276 120.1202 58.5382 32.0561 172.1250 786 P 4.2932 0.0000 0.0000 63.2506 32.7133 177.1070 787 D 4.4177 8.7162 120.9604 57.4921 40.9907 178.9868 788 A 3.9647 7.9689 120.8413 54.9852 18.3376 179.7699 789 V 3.4213 7.5507 116.4881 66.0253 31.6137 177.9276 790 F 4.1983 8.0840 120.3472 61.2659 39.2107 177.1994 791 R 3.7771 8.1369 117.8603 59.0788 29.8610 178.7406 792 L 3.9188 7.6282 119.5981 58.3083 42.0691 178.5723 793 M 3.2417 7.6500 118.6233 58.4762 31.5935 178.6500 794 E 3.5924 7.1106 116.7114 59.4076 29.8712 179.2550 795 Q 4.0124 7.5956 118.0069 59.0092 28.1913 178.4266 796 C 4.0674 7.6965 117.7448 61.7864 27.7392 174.9892 797 W 3.9725 6.6995 117.9554 55.0107 29.8238 176.2081 798 A 4.1788 7.3824 122.1598 52.7008 18.4443 178.0266 799 Y 4.3414 9.0847 124.0178 60.6872 39.2748 176.6021 800 E 4.2760 8.3188 120.2534 54.9036 30.4115 175.7780 801 P 4.2902 0.0000 0.0000 65.7780 31.4083 178.6915 802 G 3.7005 8.0387 106.3017 47.6699 0.0000 173.8787 803 Q 4.3081 7.8662 117.2911 56.3460 29.2889 176.3964 804 R 4.3658 7.6335 117.8590 54.8355 30.8384 174.6726 805 P 4.4566 0.0000 0.0000 62.0975 32.3969 176.7775 806 S 4.2650 8.1294 114.1835 57.9729 65.1426 175.1768 807 F 4.0679 8.4147 121.1544 60.6267 38.5809 178.0676 808 S 4.4621 8.0581 115.8018 61.4029 62.6561 176.6580 809 T 3.8442 8.0092 118.2035 66.6534 68.1263 176.6356 810 I 3.6350 7.8875 121.8518 64.6035 37.1588 177.8052 811 Y 4.2694 8.3516 120.4798 60.8714 38.5513 178.0565 812 Q 3.7968 8.0780 118.9177 58.8955 28.8138 178.5467 813 E 3.8822 8.3145 120.2548 59.3673 29.6327 178.8513 814 L 4.0765 8.1543 119.1443 57.8534 41.6433 179.5722 815 Q 3.8818 8.0289 118.0087 58.8211 28.4709 178.6394 816 S 4.0458 8.2757 114.4616 61.5358 62.2185 176.2635 817 I 3.7080 7.8658 121.3243 64.3871 37.2588 178.0561 818 R 4.0690 8.3157 119.7873 59.5439 29.7279 178.7693 819 K 4.0503 8.0165 116.9108 59.3112 32.0617 179.0589 820 R 4.1736 7.6472 117.1153 58.3952 30.2028 176.7944 821 H 4.4501 7.8733 119.9166 55.9845 28.9277 174.8921 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 4.42 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 4.49 0.00 2.04 1.94 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 9.01 4.00 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 4.34 0.00 2.18 1.98 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 450 E 9.05 3.93 0.00 2.05 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 2.39 0.00 451 V 7.73 3.72 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 0.80 0.00 0.00 0.97 0.00 0.00 452 Q 7.82 4.27 0.00 2.51 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 453 K 7.75 4.33 0.00 1.81 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.49 7.81 454 P 0.00 4.26 0.00 2.13 2.12 0.00 3.83 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 2.11 1.91 0.00 455 L 8.52 3.44 0.00 1.29 1.24 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 456 H 7.96 4.10 0.00 3.04 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 7.85 4.25 0.00 2.07 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 2.30 2.26 0.00 458 Q 7.91 3.76 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.79 0.00 0.00 0.00 0.00 0.00 2.13 1.45 0.00 459 L 8.13 3.88 0.00 1.65 1.67 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 460 W 7.14 5.04 0.00 3.41 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 5.10 0.00 2.67 2.82 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 0.00 462 H 8.76 4.82 0.00 3.08 3.20 0.00 5.85 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 6.10 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 A 7.66 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 I 7.35 3.61 2.00 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 1.31 0.87 0.91 0.00 0.00 466 P 0.00 4.59 0.00 2.43 1.97 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 467 R 8.58 3.98 0.00 1.81 1.96 0.00 3.28 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 8.14 4.21 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 0.00 469 E 7.88 3.94 0.00 2.30 2.02 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 2.32 2.35 0.00 470 V 7.79 3.54 2.28 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 1.16 0.00 0.00 1.00 0.00 0.00 471 A 8.02 4.00 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 0.00 472 E 7.76 4.01 0.00 1.92 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 2.32 2.34 0.00 473 L 7.81 4.38 0.00 1.76 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 474 L 8.04 4.20 0.00 1.76 1.66 0.92 0.89 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 7.95 3.99 1.85 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 0.46 0.00 0.00 0.95 0.00 0.00 476 H 7.82 4.74 0.00 3.45 3.19 0.00 5.87 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 0.00 477 S 8.39 4.32 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 9.06 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 0.00 0.00 0.00 479 D 7.99 5.13 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 480 F 8.95 5.53 0.00 3.07 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 0.00 481 L 9.18 5.12 0.00 1.99 1.75 0.98 0.51 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 9.24 5.30 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.08 0.00 0.00 483 R 9.02 4.96 0.00 2.17 2.07 0.00 2.84 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 484 E 8.82 5.19 0.00 2.31 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 2.18 2.19 0.00 485 S 9.01 4.27 0.00 3.91 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 0.00 486 Q 8.32 4.21 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.98 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 *489 Q 7.83 4.16 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 490 E 7.93 4.24 0.00 1.65 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 2.31 1.91 0.00 491 Y 8.64 5.17 0.00 3.04 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 0.00 492 V 9.23 4.85 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 1.09 0.00 0.00 1.02 0.00 0.00 493 L 9.49 4.60 0.00 1.83 1.81 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 494 S 9.45 5.38 0.00 3.90 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 0.00 495 V 9.39 5.14 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 1.02 0.00 0.00 0.93 0.00 0.00 *501 P 0.00 4.34 0.00 2.08 2.18 0.00 3.73 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 1.89 1.99 0.00 502 R 8.76 4.10 0.00 1.48 1.84 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 503 H 8.45 5.01 0.00 2.94 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 F 9.11 4.68 0.00 3.14 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 0.00 505 I 8.45 4.41 1.94 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 1.40 0.51 0.99 0.00 0.00 506 I 8.67 4.12 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 1.23 0.00 0.00 *511 N 8.44 4.39 0.00 2.77 2.69 0.00 0.00 6.35 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 7.55 5.07 0.00 1.39 1.54 0.85 0.85 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 0.00 513 Y 9.08 4.92 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 R 8.60 4.74 0.00 1.55 1.66 0.00 3.23 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 1.21 0.00 515 L 8.53 4.50 0.00 1.60 1.74 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *520 F 7.61 4.50 0.00 3.37 3.10 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 0.00 0.00 0.00 521 P 0.00 4.84 0.00 2.27 2.24 0.00 4.01 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 522 S 7.77 4.76 0.00 3.97 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 0.00 523 I 7.63 3.53 1.47 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.36 0.89 0.00 0.00 524 P 0.00 4.59 0.00 2.36 2.24 0.00 3.46 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 2.23 2.13 0.00 525 L 7.81 3.92 0.00 1.91 1.70 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 526 L 7.44 3.08 0.00 1.81 1.81 1.02 1.33 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 0.00 527 I 7.66 3.31 1.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.06 0.30 0.00 0.00 528 D 8.09 4.25 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *529 H 7.70 3.98 0.00 2.97 3.06 0.00 7.26 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 7.78 4.01 0.00 1.55 1.46 0.65 0.67 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 0.00 531 L 7.98 3.77 0.00 1.58 1.62 1.00 1.29 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 0.00 532 S 8.34 4.20 0.00 3.93 3.97 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 0.00 0.00 0.00 533 T 7.86 4.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 534 Q 8.06 3.96 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 535 Q 7.31 4.18 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 536 P 0.00 4.58 0.00 2.13 2.04 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 537 L 8.15 3.69 0.00 0.99 1.12 -0.07 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *543 V 7.49 3.81 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 0.87 0.00 0.00 1.16 0.00 0.00 544 V 8.05 4.59 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 0.86 0.00 0.00 0.94 0.00 0.00 545 L 8.16 4.15 0.00 1.32 1.03 -0.07 0.28 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 612 K 7.24 2.68 0.00 1.38 1.43 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.72 7.81 613 Q 7.26 4.18 0.00 1.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 614 Y 6.74 5.20 0.00 2.85 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 0.00 615 S 8.84 4.36 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 H 8.17 4.47 0.00 1.70 2.47 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 P 0.00 4.25 0.00 2.09 2.05 0.00 2.90 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 618 N 8.15 5.04 0.00 2.81 2.90 0.00 0.00 6.93 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 0.00 619 I 7.41 4.91 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.24 0.00 0.00 628 Q 8.21 4.10 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 629 K 7.66 4.53 0.00 1.26 1.51 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.51 7.81 630 Q 8.41 4.31 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 631 P 0.00 4.34 0.00 1.85 1.93 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 632 I 7.84 4.13 1.82 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 1.27 1.09 1.12 0.00 0.00 633 Y 8.73 5.61 0.00 2.91 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 0.00 634 I 8.88 4.66 1.73 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.38 0.75 0.00 0.00 635 V 9.02 4.72 2.19 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 0.86 0.00 0.00 0.97 0.00 0.00 636 M 9.09 5.39 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 637 E 8.77 4.30 0.00 1.97 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 2.36 2.26 0.00 638 L 8.38 4.41 0.00 1.60 1.61 0.98 0.91 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 0.00 639 V 8.27 4.11 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 0.97 0.00 0.00 0.92 0.00 0.00 640 Q 8.54 4.17 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 641 G 8.11 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 0.00 0.00 0.00 642 G 7.93 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 0.00 0.00 0.00 643 D 8.30 5.08 0.00 3.09 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 0.00 644 F 9.22 4.56 0.00 3.08 3.38 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 0.00 645 L 8.07 3.81 0.00 1.84 1.87 1.07 0.93 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 0.00 646 T 8.74 3.88 4.48 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 1.24 0.00 0.00 647 F 8.40 4.11 0.00 3.30 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 L 8.12 3.72 0.00 1.63 1.33 0.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 649 R 7.84 3.95 0.00 1.87 1.94 0.00 3.14 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 650 T 7.61 4.22 4.19 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 1.25 0.00 0.00 651 E 8.07 4.41 0.00 1.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 652 G 7.62 3.49 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 0.00 0.00 0.00 653 A 7.91 4.07 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 0.00 654 R 7.48 4.40 0.00 1.75 1.92 0.00 3.10 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 655 L 7.43 4.19 0.00 1.71 1.59 0.84 0.94 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 0.00 656 R 8.36 4.29 0.00 1.88 1.87 0.00 3.15 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 657 V 8.37 3.69 2.17 0.00 0.00 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 1.05 0.00 0.00 658 K 8.21 3.97 0.00 2.06 2.13 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 659 T 7.86 3.94 4.43 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 1.31 0.00 0.00 660 L 7.91 4.01 0.00 1.71 1.10 0.58 0.61 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 0.00 661 L 8.51 4.25 0.00 1.89 1.82 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 662 Q 8.29 4.01 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 663 M 8.23 3.96 0.00 1.80 2.14 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 664 V 8.21 3.92 2.31 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 0.93 0.00 0.00 1.32 0.00 0.00 665 G 8.52 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 666 D 8.58 4.38 0.00 2.83 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 0.00 667 A 8.02 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 A 8.67 3.72 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 669 A 8.14 3.20 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.36 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 0.00 671 M 7.93 3.62 0.00 0.51 0.99 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.63 0.00 672 E 8.18 3.89 0.00 2.01 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 2.30 2.36 0.00 673 Y 7.75 3.92 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 L 7.99 3.68 0.00 1.76 1.70 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 675 E 8.31 3.95 0.00 2.21 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 2.40 2.60 0.00 676 S 7.78 4.11 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 677 K 7.15 4.18 0.00 1.52 1.77 0.00 1.85 0.00 0.00 1.51 0.00 0.00 2.60 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.63 0.46 7.81 678 C 7.93 3.92 0.00 3.18 3.14 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 0.00 679 C 8.29 5.00 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 I 8.82 4.62 1.92 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 1.30 0.77 1.09 0.00 0.00 681 H 10.00 3.85 0.00 3.01 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 682 R 9.36 4.31 0.00 1.87 1.92 0.00 2.72 0.00 0.00 2.92 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 683 D 7.65 4.74 0.00 2.52 2.54 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 0.00 684 L 8.18 3.95 0.00 1.62 1.74 0.89 1.37 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 0.00 685 A 8.13 4.55 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 686 A 9.42 4.36 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 687 R 8.00 4.15 0.00 1.88 2.03 0.00 2.87 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 688 N 8.15 4.73 0.00 2.71 2.82 0.00 0.00 6.75 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 689 C 7.81 5.18 0.00 3.09 2.70 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 0.00 0.00 0.00 690 L 8.84 5.31 0.00 1.50 1.48 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 691 V 8.31 4.70 1.80 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 0.38 0.00 0.00 0.68 0.00 0.00 692 T 8.63 4.41 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 1.16 0.00 0.00 693 E 8.61 3.99 0.00 2.10 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 2.28 0.00 694 K 7.92 4.37 0.00 1.73 1.84 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.43 7.81 695 N 8.06 4.02 0.00 2.87 2.87 0.00 0.00 6.81 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 0.00 696 V 7.51 4.02 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 0.91 0.00 0.00 0.89 0.00 0.00 697 L 8.58 4.79 0.00 1.29 1.29 -0.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 698 K 8.78 4.76 0.00 1.64 1.61 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 699 I 8.83 4.27 2.00 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 1.30 1.11 0.70 0.00 0.00 700 S 8.57 4.94 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 701 D 8.85 4.29 0.00 2.76 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 0.00 702 F 9.70 4.32 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0.00 0.00 0.00 793 M 7.65 3.24 0.00 0.64 1.69 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 794 E 7.11 3.59 0.00 1.73 1.77 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 1.87 1.47 0.00 795 Q 7.60 4.01 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 796 C 7.70 4.07 0.00 2.50 2.93 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 0.00 797 W 6.70 3.97 0.00 3.06 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 0.00 798 A 7.38 4.18 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 0.00 799 Y 9.08 4.34 0.00 3.01 3.10 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 0.00 0.00 0.00 800 E 8.32 4.28 0.00 2.12 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 2.58 2.33 0.00 801 P 0.00 4.29 0.00 2.21 2.44 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 802 G 8.04 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 803 Q 7.87 4.31 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 804 R 7.63 4.37 0.00 1.94 1.81 0.00 3.38 0.00 0.00 3.66 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 805 P 0.00 4.46 0.00 2.06 1.96 0.00 3.65 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 1.82 1.83 0.00 806 S 8.13 4.26 0.00 4.06 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 0.00 807 F 8.41 4.07 0.00 3.06 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 0.00 808 S 8.06 4.46 0.00 3.90 3.97 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 0.00 0.00 0.00 809 T 8.01 3.84 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 7.89 3.64 1.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.64 0.00 0.00 811 Y 8.35 4.27 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 812 Q 8.08 3.80 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 813 E 8.31 3.88 0.00 2.04 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 0.00 2.27 2.38 0.00 814 L 8.15 4.08 0.00 1.94 1.81 1.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 815 Q 8.03 3.88 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 816 S 8.28 4.05 0.00 3.82 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 0.00 817 I 7.87 3.71 1.88 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 0.86 0.93 0.00 0.00 818 R 8.32 4.07 0.00 2.04 2.04 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 819 K 8.02 4.05 0.00 1.89 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.61 7.81 820 R 7.65 4.17 0.00 2.14 1.98 0.00 3.27 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 821 H 7.87 4.45 0.00 3.32 3.27 0.00 5.88 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 * Residues marked with a * may have inaccurate shift predictions.