NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 423 G 3.9394 8.3544 109.7366 45.6568 0.0000 172.7091 424 S 3.8507 8.8161 113.3385 61.0381 62.4049 173.9240 425 H 4.8715 8.1084 120.0864 55.2029 28.6008 173.9553 426 M 4.4762 8.3681 123.5312 53.7591 34.7811 174.2519 427 A 4.3759 7.7514 128.4297 52.1914 19.5768 176.3777 428 V 4.2488 8.6809 121.3282 61.1154 33.9996 174.4973 429 I 4.5969 8.3788 129.3777 60.5527 38.2081 175.2985 430 T 4.6897 8.6893 116.7418 58.6490 71.8179 173.1952 431 P 3.7853 0.0000 0.0000 65.1702 31.3256 177.9220 432 Q 4.4063 7.8058 115.8853 55.6208 29.1357 177.2571 433 G 3.8414 8.3678 106.9163 44.6229 0.0000 172.9578 434 V 4.2530 8.1744 120.2865 62.6537 32.4287 176.2134 435 T 4.7205 8.7255 116.0129 60.1914 72.0801 172.7214 436 N 4.2742 8.8133 115.5168 53.3959 35.6166 176.5616 437 W 5.1838 7.9307 127.5659 56.1919 31.8738 173.8711 438 T 4.4238 8.5937 117.3574 60.1202 71.4871 174.8131 439 Y 3.7700 8.2945 121.6492 60.8326 38.7415 177.9245 440 Q 3.7173 7.8722 119.8990 59.0257 29.1520 178.0504 441 E 3.5422 7.5443 119.2270 59.0214 29.4348 178.9764 442 L 3.4913 6.6176 120.2294 57.9487 42.0281 178.5149 443 E 3.6395 7.7681 119.1727 59.2014 29.4425 178.7190 444 A 3.9052 7.6428 120.6108 55.2923 18.3124 179.8215 445 T 3.8056 7.7881 114.3336 66.9465 68.4798 176.2486 446 H 3.9849 8.6074 120.5496 59.6135 29.7967 177.3047 447 Q 3.9496 8.3372 119.5093 58.6945 28.5100 178.5692 448 A 3.9558 8.0433 121.9019 55.1617 18.4605 179.6763 449 L 3.9407 8.1128 117.8724 58.1719 41.6209 179.8631 450 T 4.0696 8.1264 115.9699 66.8683 68.1850 176.8702 451 R 3.9966 7.9727 118.7807 59.0690 30.1563 178.1064 452 E 4.3602 7.8749 115.1129 56.5144 29.7967 177.4387 453 G 3.8302 8.1956 108.4146 45.3218 0.0000 172.8259 454 Y 4.8792 7.7196 116.4872 57.0254 39.4645 175.2707 455 V 4.5802 8.9732 121.6952 60.8104 34.9689 174.5661 456 F 3.9958 9.0652 130.3183 58.5261 39.3733 174.8607 457 V 3.9685 8.9378 117.5726 59.8469 33.7556 175.7892 458 G 3.8197 5.3800 109.2923 44.5795 0.0000 170.5230 459 Y 5.1555 8.3396 117.9363 57.2028 40.0717 174.7755 460 H 5.0608 9.6710 122.8843 54.5003 32.6981 172.3469 461 G 4.4618 8.6430 113.1956 45.6040 0.0000 172.0812 462 T 4.9884 8.6759 117.0227 61.7597 71.7993 172.2707 463 N 4.9649 8.6912 120.4612 52.2737 38.3242 175.7354 464 H 4.2417 8.7316 114.9446 58.6172 28.3524 177.9882 465 V 3.4341 7.4850 120.3062 65.8936 31.5917 177.6232 466 A 4.0110 8.5008 120.4206 55.1455 18.1310 179.3823 467 A 4.0124 8.2500 119.3239 55.4297 18.4877 179.6644 468 Q 3.8968 7.9686 117.7751 59.5323 29.1330 178.5049 469 T 3.8825 7.7367 116.6449 66.8093 68.2834 176.6850 470 I 3.7938 7.6489 120.4605 64.3599 37.2059 178.3712 471 V 3.8704 7.8226 118.2760 65.8543 31.3464 177.6319 472 N 4.4741 8.0499 115.5627 54.4239 38.7953 175.5249 473 R 4.3223 7.1918 114.6393 55.4371 33.8307 173.9065 474 I 4.0807 8.5827 126.6344 61.0208 37.8272 175.1734 475 A 4.6187 8.1892 126.5840 49.8241 22.0093 173.9782 476 P 2.0000 0.0000 0.0000 61.5473 33.1836 176.0678 477 V 3.5888 6.7822 111.5803 62.7482 31.1187 180.2076 *483 T 4.1950 8.6565 118.7235 62.2199 70.9603 173.4603 484 E 4.0065 8.5874 121.2992 59.7584 29.5209 179.2759 485 N 4.4871 8.1739 116.5643 56.7895 38.9622 176.6325 486 E 4.1736 8.2833 119.0329 59.3689 29.7666 179.0615 487 E 4.2160 8.2620 118.6060 59.2699 29.3164 178.9662 488 K 3.8522 8.0555 119.4968 58.8154 31.8716 177.7376 489 W 4.8620 8.0228 116.8675 55.6352 30.1537 176.7512 490 G 3.9749 7.7835 108.4983 44.7578 0.0000 174.6422 491 G 2.8468 7.9715 108.9804 44.7000 0.0000 170.5923 492 L 4.1448 6.6590 122.0653 54.0816 43.0847 175.3790 493 Y 4.8956 8.6967 124.2292 57.0228 39.3910 175.2620 494 V 4.9683 8.8895 115.9445 59.7381 36.9251 174.2040 495 A 5.1349 9.0829 122.9587 50.7302 21.9533 177.7831 496 T 4.0507 8.9594 111.6459 63.9199 69.7449 174.1791 497 H 4.6919 8.3151 122.6031 54.6887 30.1654 175.0655 498 A 3.8440 8.6743 129.9994 55.3087 18.1525 178.5611 499 E 3.7891 7.8413 117.2229 59.1529 29.4122 179.0928 500 V 3.6450 7.6836 117.5984 66.0728 31.9813 177.6060 501 A 4.3469 8.1109 120.0112 55.4982 18.3002 178.8939 502 H 4.2395 8.6909 117.2022 59.1866 29.6381 177.6408 503 G 3.5462 7.8828 106.4487 47.1173 0.0000 174.1517 504 Y 4.4792 7.9924 116.5457 57.3285 39.7118 175.6333 505 A 4.8510 7.6350 126.7995 49.4170 17.5855 176.5329 506 R 4.7639 7.0242 115.6165 54.4381 32.0199 175.7672 507 I 3.9755 8.2520 120.9915 61.4892 37.6274 176.7939 508 K 4.6591 8.7135 121.6383 56.5027 33.9610 175.8218 509 E 4.8607 8.0808 118.7254 54.6300 33.1197 175.3669 510 G 3.7549 8.7031 112.1832 45.3017 0.0000 173.4075 511 T 4.4059 8.1660 109.6807 60.9923 69.1387 175.1116 512 G 3.9095 7.9038 113.0484 44.4832 0.0000 172.9557 513 E 3.6636 8.4030 116.7260 57.4809 30.0165 176.4373 514 Y 3.6631 8.7560 117.3609 59.1878 35.4684 170.4201 515 G 3.9204 7.8798 105.3967 46.2676 0.0000 174.4178 516 L 4.3417 7.7429 119.8154 52.8742 42.4682 175.1592 517 P 4.4490 0.0000 0.0000 62.4972 32.0494 176.8288 518 T 4.1727 8.7288 112.0896 61.0492 71.0155 175.7754 519 R 3.8171 8.3853 119.9626 59.5924 29.9055 178.1223 520 A 4.0111 7.9238 120.0386 55.0884 18.1724 179.2889 521 E 3.9007 7.8910 116.4610 59.6976 29.5878 179.5139 522 R 4.0986 7.8895 117.1434 59.2108 30.1989 178.4834 523 D 4.4921 8.1495 117.3341 55.6353 41.1886 176.8272 524 A 4.4981 6.9211 120.8859 52.0874 19.1591 177.1963 525 R 4.7786 8.8628 118.6923 54.4031 33.9551 176.5778 526 G 4.0657 8.8405 109.9468 45.7128 0.0000 171.9955 527 V 4.8154 8.7849 118.8323 61.3389 35.1358 174.7545 528 M 4.9518 8.7611 126.7126 54.2238 33.7318 175.0047 529 L 5.3392 9.2765 123.9920 53.1625 45.4099 175.4572 530 R 5.1168 9.4187 121.0279 54.6672 32.6154 175.2442 531 V 4.9187 8.5655 124.1018 61.3429 34.0461 173.8853 532 Y 5.3209 9.2872 125.3013 56.1251 41.5173 174.6596 533 I 5.0436 8.5444 115.8018 58.1911 41.3618 173.3771 534 P 4.3789 0.0000 0.0000 62.1673 32.0893 177.8919 535 R 3.7469 8.6248 119.3953 59.5521 29.2289 179.1634 536 A 3.9835 7.8664 120.5753 54.8182 18.3594 179.2337 537 S 4.2310 8.1749 113.4001 60.7442 62.6246 176.3892 538 L 3.8968 7.5147 121.3818 57.2192 41.3026 178.4686 539 E 4.0342 7.8456 118.3087 58.1180 29.8218 176.7831 540 R 3.9504 8.0162 118.5067 55.8569 31.4891 175.5264 541 F 4.5320 7.7599 122.7515 56.6009 40.5819 173.5280 542 Y 4.9976 8.1049 123.0103 56.3913 40.2725 174.4260 543 R 5.0179 8.3974 120.3491 55.2170 33.1733 173.9993 544 T 4.8569 9.0047 118.5628 60.5035 70.8558 174.2078 545 N 4.6210 8.8679 122.1430 54.4009 39.2742 175.8571 546 T 4.1145 7.6169 116.2705 62.0975 69.2951 172.8273 547 P 4.3746 0.0000 0.0000 63.0149 32.1431 176.9742 548 L 3.9098 8.7996 125.0008 58.2616 41.9099 179.1857 549 E 3.4798 7.9475 116.5640 58.2954 29.2049 177.5713 550 N 4.9722 8.0059 115.4986 52.7832 39.1892 174.7489 551 A 4.6684 7.7620 123.1083 51.8579 19.7836 178.2954 552 E 3.8456 8.5451 121.1112 60.5340 29.4853 178.9635 553 E 3.8718 8.0516 117.8843 59.5470 29.5519 178.5200 554 H 4.0530 8.1106 117.6997 59.4076 29.9002 177.1323 555 I 2.9935 7.7416 122.0389 64.3626 36.8244 178.6056 556 T 3.8169 7.9049 110.7007 64.5081 68.3943 176.6168 557 Q 3.8527 7.7912 121.8723 58.9841 29.1470 178.0383 558 V 3.5933 7.6413 118.8290 65.5354 31.6706 177.4813 559 I 3.9871 7.7397 111.1930 60.9921 37.8331 176.7669 560 G 3.8443 9.1591 108.5929 45.7882 0.0000 172.2783 561 H 4.6722 7.2610 113.1936 54.0869 30.9544 173.1265 562 S 4.3193 8.3116 114.4775 57.4278 63.6651 174.0942 563 L 3.9663 7.9238 121.3629 54.1647 41.8193 175.4681 564 P 4.7051 0.0000 0.0000 60.7035 32.6243 175.8559 565 L 4.3782 8.1633 118.7004 55.3579 43.4751 175.4242 566 R 4.4844 9.3875 120.5984 56.6909 28.9526 178.6968 567 N 5.0533 8.9875 123.0718 51.8712 37.4053 171.6998 568 E 5.0011 7.3519 118.5140 55.5049 33.6319 175.1433 569 A 5.0600 8.8738 121.0698 50.1135 22.9909 174.8666 570 F 4.7960 8.9006 121.2664 56.6347 43.1257 173.7525 571 T 5.0573 8.3053 121.7034 62.0266 72.0002 173.2710 572 G 4.3845 8.4478 110.3711 44.7595 0.0000 170.7116 573 P 4.9263 0.0000 0.0000 62.6384 31.8535 178.0093 574 E 4.2601 9.6763 122.5478 58.5309 30.8717 176.6952 575 S 4.9983 8.0096 112.1777 56.9873 65.7836 173.1748 576 A 4.1403 8.3152 124.5559 53.6549 18.3541 178.4381 577 G 3.8913 8.9842 110.8478 45.2884 0.0000 173.5827 578 G 4.1104 7.7511 107.0815 44.1663 0.0000 173.5752 579 E 4.4227 8.5153 118.9850 55.9557 30.8288 176.7056 580 D 5.1560 8.6117 121.1956 54.5305 41.6737 175.6792 581 E 5.0105 9.2464 118.5852 54.9497 33.6060 174.4566 582 T 4.6941 8.9616 117.8771 61.8023 72.0265 173.0663 583 V 3.6325 8.4980 126.9679 61.1551 33.3244 174.5025 584 I 4.3487 8.2728 130.6587 59.4493 38.4382 175.9722 585 G 4.0383 8.7024 115.3722 45.4880 0.0000 174.2722 586 W 4.5343 8.8351 122.0030 59.8242 28.9226 178.6933 587 D 4.5423 8.2748 117.4520 57.1072 40.5456 177.9251 588 M 4.3806 8.0865 118.3232 58.3838 32.5557 177.9098 589 A 4.1490 8.4024 121.4043 54.7469 18.3160 179.0166 590 I 4.1526 7.8060 110.0427 63.0291 37.8205 176.8514 591 H 4.8068 8.0697 116.7268 55.0381 29.2928 174.4669 592 A 4.8280 7.4671 123.3509 51.2932 20.1956 176.9956 593 V 4.4658 8.8998 118.4642 61.0013 34.7076 174.0765 594 A 5.5289 8.7394 128.8645 50.1298 21.2274 175.4527 595 I 4.6476 8.7766 115.5577 58.0694 41.2230 173.3860 596 P 4.8312 0.0000 0.0000 62.9039 31.7952 176.2967 597 S 4.8815 9.1901 119.5302 58.4109 63.3285 173.9415 598 T 4.5334 9.6294 111.9612 61.6993 69.0964 175.0646 599 I 3.9526 7.9703 125.0699 60.4173 37.4773 174.3428 600 P 4.3933 0.0000 0.0000 62.6494 31.7968 176.6865 601 G 4.1873 8.3193 108.1489 45.6305 0.0000 170.9012 602 N 5.1333 8.4911 118.4272 52.4369 41.8377 173.4790 603 A 4.9448 8.2130 118.2853 50.8220 22.2060 176.2128 604 Y 4.3066 8.9030 119.4917 59.8696 38.7293 176.6816 605 E 4.2647 8.1222 119.8410 54.7216 29.7362 176.1075 606 E 4.2657 8.5959 124.1154 56.5016 30.1618 176.6240 607 L 4.8155 8.8133 122.1295 52.4751 45.0393 176.5855 608 A 4.1764 8.3212 124.1562 51.6603 19.1009 177.6684 609 I 3.4029 7.1541 122.3373 60.7654 38.7577 176.6333 610 D 4.5502 8.2794 125.1382 53.4125 40.8196 176.7052 611 E 3.9589 8.5045 127.7660 59.0210 29.6220 178.5636 612 E 3.8512 8.2424 118.8938 59.2852 29.6393 178.6576 613 A 3.9779 8.1811 120.5450 54.8180 18.1881 179.6758 614 V 3.4566 7.4865 115.8047 66.1741 31.8842 177.8098 615 A 4.0849 8.1969 120.6687 55.1152 18.0137 179.5366 616 K 3.6630 7.8574 116.8977 59.0712 32.4247 177.9495 617 E 4.3960 7.8536 116.6479 56.6573 29.7396 177.8551 618 Q 3.9923 7.8062 121.5063 59.3493 28.9216 178.4571 619 S 4.2633 8.0451 113.2507 60.2467 63.1357 175.1435 620 I 4.3195 7.1185 114.9470 60.4085 37.7313 175.5555 621 S 3.8110 7.7651 115.6062 58.4001 63.9773 174.6158 622 T 4.1840 7.9344 109.4846 61.0862 69.3460 174.1962 623 K 4.1681 8.4809 123.0078 55.8940 32.6851 175.3842 624 P 4.3783 0.0000 0.0000 61.2777 32.1835 174.2189 625 P 4.3107 0.0000 0.0000 62.8302 31.9860 175.1103 626 Y 5.0481 8.1218 116.9253 56.2256 41.5871 175.4705 627 K 4.4118 8.9725 122.3613 55.7528 33.3637 176.7281 628 E 4.3818 8.5786 125.5589 56.6501 29.1576 174.6603 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 423 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 424 S 8.82 3.85 0.00 3.86 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 0.00 425 H 8.11 4.87 0.00 3.32 3.43 0.00 5.77 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 M 8.37 4.48 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 427 A 7.75 4.38 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 428 V 8.68 4.25 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 0.97 0.00 0.00 0.98 0.00 0.00 429 I 8.38 4.60 2.07 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 1.38 0.62 1.00 0.00 0.00 430 T 8.69 4.69 4.22 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 1.21 0.00 0.00 431 P 0.00 3.79 0.00 2.11 1.99 0.00 3.53 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 432 Q 7.81 4.41 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 433 G 8.37 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 0.00 434 V 8.17 4.25 2.18 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 0.89 0.00 0.00 0.97 0.00 0.00 435 T 8.73 4.72 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 436 N 8.81 4.27 0.00 2.95 3.03 0.00 0.00 6.61 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 0.00 437 W 7.93 5.18 0.00 3.31 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 0.00 438 T 8.59 4.42 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 1.21 0.00 0.00 439 Y 8.29 3.77 0.00 3.09 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 0.00 440 Q 7.87 3.72 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 441 E 7.54 3.54 0.00 1.42 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 2.11 2.11 0.00 442 L 6.62 3.49 0.00 1.10 1.23 1.24 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 443 E 7.77 3.64 0.00 1.16 1.65 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 2.17 2.41 0.00 444 A 7.64 3.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 T 7.79 3.81 4.51 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 1.24 0.00 0.00 446 H 8.61 3.98 0.00 3.30 3.48 0.00 5.78 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 0.00 447 Q 8.34 3.95 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 448 A 8.04 3.96 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 0.00 449 L 8.11 3.94 0.00 1.46 1.41 -0.05 -0.00 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 0.00 450 T 8.13 4.07 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 451 R 7.97 4.00 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 452 E 7.87 4.36 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 453 G 8.20 3.83 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 0.00 0.00 0.00 454 Y 7.72 4.88 0.00 3.03 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 0.00 455 V 8.97 4.58 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 0.91 0.00 0.00 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0.00 1.93 2.20 0.00 2.71 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 536 A 7.87 3.98 1.27 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 0.00 0.00 537 S 8.17 4.23 0.00 3.94 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 0.00 538 L 7.51 3.90 0.00 1.59 1.58 0.75 0.16 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 0.00 539 E 7.85 4.03 0.00 2.03 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 2.29 2.32 0.00 540 R 8.02 3.95 0.00 1.74 1.84 0.00 3.25 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 541 F 7.76 4.53 0.00 3.15 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 0.00 542 Y 8.10 5.00 0.00 1.43 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 R 8.40 5.02 0.00 1.16 1.69 0.00 2.21 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 544 T 9.00 4.86 4.52 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 1.43 0.00 0.00 545 N 8.87 4.62 0.00 2.74 2.83 0.00 0.00 7.00 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 0.00 546 T 7.62 4.11 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 1.19 0.00 0.00 547 P 0.00 4.37 0.00 2.34 2.03 0.00 3.58 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 2.09 2.07 0.00 548 L 8.80 3.91 0.00 1.67 1.44 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 549 E 7.95 3.48 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 550 N 8.01 4.97 0.00 2.75 2.86 0.00 0.00 6.77 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 0.00 551 A 7.76 4.67 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 0.00 552 E 8.55 3.85 0.00 2.20 2.00 0.00 0.00 0.00 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 2.16 0.00 553 E 8.05 3.87 0.00 2.04 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 2.37 2.35 0.00 554 H 8.11 4.05 0.00 3.20 3.39 0.00 5.87 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 0.00 555 I 7.74 2.99 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.50 0.00 0.00 556 T 7.90 3.82 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 1.07 0.00 0.00 557 Q 7.79 3.85 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 558 V 7.64 3.59 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 0.19 0.00 0.00 0.74 0.00 0.00 559 I 7.74 3.99 1.98 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 1.36 0.35 0.93 0.00 0.00 560 G 9.16 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 0.00 561 H 7.26 4.67 0.00 3.17 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.31 4.32 0.00 3.94 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 0.00 563 L 7.92 3.97 0.00 1.32 1.48 -0.38 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.71 0.00 2.21 2.30 0.00 3.36 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 565 L 8.16 4.38 0.00 1.63 1.67 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 566 R 9.39 4.48 0.00 1.98 1.14 0.00 2.89 0.00 0.00 3.01 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 567 N 8.99 5.05 0.00 2.74 2.80 0.00 0.00 6.67 7.65 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 0.00 568 E 7.35 5.00 0.00 2.39 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 0.00 2.35 2.45 0.00 569 A 8.87 5.06 0.57 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 0.00 0.00 570 F 8.90 4.80 0.00 3.14 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 0.00 571 T 8.31 5.06 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 1.00 0.00 0.00 572 G 8.45 4.38 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 0.00 573 P 0.00 4.93 0.00 2.12 2.14 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 574 E 9.68 4.26 0.00 2.08 2.24 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 2.34 2.39 0.00 575 S 8.01 5.00 0.00 3.95 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 0.00 576 A 8.32 4.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 G 8.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 G 7.75 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 0.00 579 E 8.52 4.42 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 580 D 8.61 5.16 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 E 9.25 5.01 0.00 2.08 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 2.34 2.27 0.00 582 T 8.96 4.69 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 1.02 0.00 0.00 583 V 8.50 3.63 1.90 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 0.64 0.00 0.00 0.31 0.00 0.00 584 I 8.27 4.35 1.74 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 1.18 0.57 0.92 0.00 0.00 585 G 8.70 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 W 8.84 4.53 0.00 3.46 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 0.00 587 D 8.27 4.54 0.00 2.85 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 0.00 588 M 8.09 4.38 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 589 A 8.40 4.15 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 0.00 590 I 7.81 4.15 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 1.76 0.32 1.13 0.00 0.00 591 H 8.07 4.81 0.00 3.35 3.45 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 A 7.47 4.83 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 0.00 593 V 8.90 4.47 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.52 0.00 0.00 594 A 8.74 5.53 1.27 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 0.00 0.00 595 I 8.78 4.65 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.84 0.00 0.00 596 P 0.00 4.83 0.00 1.50 1.95 0.00 3.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.93 0.00 597 S 9.19 4.88 0.00 4.29 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 0.00 598 T 9.63 4.53 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 1.25 0.00 0.00 599 I 7.97 3.95 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.84 0.00 0.00 600 P 0.00 4.39 0.00 2.08 2.03 0.00 3.68 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 2.05 2.13 0.00 601 G 8.32 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 0.00 0.00 0.00 0.00 602 N 8.49 5.13 0.00 2.51 2.68 0.00 0.00 7.29 7.75 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 0.00 603 A 8.21 4.94 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 0.00 604 Y 8.90 4.31 0.00 2.89 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 0.00 605 E 8.12 4.26 0.00 2.06 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 2.36 2.47 0.00 606 E 8.60 4.27 0.00 1.89 1.84 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 2.23 2.24 0.00 607 L 8.81 4.82 0.00 1.60 1.55 0.95 0.68 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 0.00 608 A 8.32 4.18 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 0.00 609 I 7.15 3.40 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.83 0.00 0.00 610 D 8.28 4.55 0.00 2.73 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 0.00 611 E 8.50 3.96 0.00 1.99 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 2.28 0.00 612 E 8.24 3.85 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 613 A 8.18 3.98 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 0.00 614 V 7.49 3.46 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 0.81 0.00 0.00 0.86 0.00 0.00 615 A 8.20 4.08 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 0.00 616 K 7.86 3.66 0.00 1.65 1.61 0.00 1.57 0.00 0.00 1.32 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.96 7.81 617 E 7.85 4.40 0.00 2.11 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 0.00 2.57 2.41 0.00 618 Q 7.81 3.99 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 619 S 8.05 4.26 0.00 4.06 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 0.00 620 I 7.12 4.32 1.22 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.52 0.86 0.00 0.00 621 S 7.77 3.81 0.00 3.77 3.51 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 0.00 622 T 7.93 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 623 K 8.48 4.17 0.00 1.86 1.91 0.00 2.02 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.56 7.81 624 P 0.00 4.38 0.00 1.67 1.87 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.73 0.00 625 P 0.00 4.31 0.00 2.11 2.01 0.00 3.45 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 626 Y 8.12 5.05 0.00 2.89 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 0.00 627 K 8.97 4.41 0.00 1.65 1.85 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 628 E 8.58 4.38 0.00 2.05 1.82 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 2.25 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.