NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 392 D 4.7074 8.2076 119.5771 53.4724 41.8338 177.2255 393 S 4.0940 7.8632 113.4256 58.9499 63.6874 174.1256 394 F 4.1286 8.7315 120.4283 57.4851 40.2020 178.1463 395 L 4.2456 7.3816 120.8750 55.9195 42.2957 176.7645 396 E 3.9978 7.4832 119.7170 56.9458 29.5641 176.2986 397 T 4.6988 8.5809 115.2287 61.9850 70.9201 176.2359 398 N 4.5442 8.4680 121.0946 56.3142 38.4835 177.2219 399 V 3.5390 8.1087 119.6003 65.7740 31.6418 176.1855 400 P 4.2232 0.0000 0.0000 65.5627 31.0235 178.3680 401 L 3.4237 7.7043 119.0985 57.8822 41.9887 178.9904 402 L 3.8949 7.9465 119.1402 57.7753 41.4594 179.7521 403 V 3.3575 8.0194 118.6229 65.5859 31.3698 177.7646 404 L 3.8866 7.9946 120.5254 58.2389 41.8205 179.1143 405 I 3.6106 7.8888 120.0372 64.3128 37.1580 177.9829 406 E 3.7826 8.1509 119.9368 59.2178 29.4076 178.7567 407 A 4.0325 8.2456 120.8055 55.0039 18.4341 179.5180 408 A 3.9072 8.0844 119.3224 55.3315 18.2814 179.8546 409 K 3.9621 8.5189 116.2831 59.4570 32.0892 178.0225 410 N 4.8845 7.8890 114.3434 52.5028 38.9561 175.3322 411 G 4.0076 8.0332 106.8378 46.2545 0.0000 175.5042 412 N 4.6237 7.8000 119.5298 52.1399 37.2886 174.9807 413 E 4.0896 8.5305 128.3056 59.1957 29.4787 179.3945 414 K 3.9869 8.0189 123.5524 59.8599 32.0098 182.8991 415 E 3.9062 8.3392 119.8014 58.6009 29.2289 179.8201 416 V 3.6058 7.5889 118.4163 66.0101 31.1993 178.0202 417 K 3.9636 8.0880 119.2831 59.3403 31.8080 178.6992 418 E 3.8691 7.7194 118.5776 59.6714 29.4351 178.8750 419 Y 4.3913 8.1825 116.5690 60.5950 37.7775 178.2249 420 A 4.0545 8.4829 122.7303 55.2100 18.3895 179.6238 421 Q 3.9456 7.8171 115.7705 59.0572 28.7482 179.2201 422 V 3.6411 7.7083 118.9674 65.9517 31.5268 177.7562 423 F 4.1182 8.4908 120.5792 61.3142 39.1536 177.0070 424 R 3.5517 8.2286 118.3897 59.1917 29.8284 177.8588 425 E 3.9146 8.3684 119.2277 59.9297 29.5896 178.6064 426 H 4.7468 8.7953 117.2029 58.2402 28.7162 177.7166 427 A 4.0704 8.0721 122.8133 55.3864 18.1533 179.5036 428 N 4.3153 8.5325 115.4347 56.0953 38.5638 177.5767 429 K 3.9090 8.3910 121.6161 59.5499 32.3452 178.6724 430 L 4.0209 8.1916 120.8378 58.1820 41.9699 179.0126 431 I 3.7843 8.0031 120.0103 64.1332 37.0321 177.5399 432 E 3.8595 8.5394 120.6591 59.4093 29.3876 178.7799 433 V 3.5708 8.0069 117.6211 66.1767 31.5765 177.9402 434 A 3.9843 8.0310 120.1268 55.4703 18.2402 179.4622 435 N 4.3304 8.2304 114.9151 56.1046 38.5465 177.5162 436 L 3.9156 8.0720 121.7298 58.1122 41.9933 178.8629 437 A 4.1020 8.1463 119.9585 55.4001 18.3943 179.0946 438 C 4.2440 8.1621 115.5357 62.9242 27.9661 176.4780 439 S 4.1602 7.9693 115.2770 60.4991 62.6457 175.5259 440 I 4.2303 7.0827 112.4701 59.8507 38.0265 175.3356 441 S 4.6040 7.0107 115.3710 57.5571 63.5893 173.2535 442 N 4.7733 8.3334 118.6426 52.7305 39.8440 175.3644 443 N 4.5225 8.0905 120.7574 52.6550 38.6285 175.4712 444 E 3.9987 8.6964 129.4349 61.9344 30.0360 176.9992 445 E 4.2893 8.2971 118.8014 60.9066 29.7270 181.5289 446 G 3.7646 8.3452 106.5736 47.7841 0.0000 175.8678 447 V 3.6120 8.0846 121.7573 65.6336 31.2022 178.2540 448 K 3.9675 8.0206 117.3441 59.3839 31.9735 178.8298 449 L 4.0862 7.6205 119.2101 57.8939 42.2280 178.9753 450 V 3.7857 7.8327 118.4313 65.8269 31.4172 179.0438 451 R 4.0739 7.8958 114.8663 56.9974 29.7537 178.3918 *453 S 4.7285 8.3609 115.2857 58.4221 64.4309 175.7592 454 A 3.9580 8.4355 122.8016 55.1521 18.0858 179.8316 455 S 4.1016 8.3091 112.8124 61.4454 62.9761 176.7668 456 Q 3.9937 7.9823 121.5303 58.7607 28.4721 178.0801 457 L 3.8613 7.8173 121.2746 57.9806 41.8146 178.6595 458 E 3.9819 8.2021 118.5786 59.2555 29.6707 178.4080 459 A 4.2023 7.9264 119.9586 54.9893 18.7264 179.3324 460 L 4.2782 8.1699 117.8346 57.8046 41.7811 178.6902 461 C 3.9742 8.7252 119.4159 62.4506 31.3616 174.2768 462 P 4.2941 0.0000 0.0000 65.8944 30.8287 178.3023 463 Q 3.7047 7.9337 117.4327 58.5162 28.6241 178.5781 464 V 3.0973 7.5036 119.1510 65.9976 31.5802 178.2139 465 I 3.5825 7.6074 119.4536 64.2663 36.8831 178.2788 466 N 4.2548 8.3010 117.5599 56.1833 38.4007 177.1351 467 A 4.0131 8.0956 122.3735 55.3306 18.3854 179.5965 468 A 3.9204 8.0230 119.0769 55.1191 18.3225 179.9560 469 L 3.8925 7.9502 117.4208 57.8816 41.8573 179.5017 470 A 3.9738 8.4686 121.1836 54.8914 18.2342 179.5371 471 L 3.8639 8.0936 118.6701 58.3740 41.8974 179.0984 472 A 4.2535 8.2016 120.5440 55.0728 18.0044 179.4966 473 A 4.1710 8.0925 118.8877 53.8518 19.9598 178.0617 474 K 4.5372 7.8416 116.5203 53.7093 32.5209 175.1092 475 P 4.5343 0.0000 0.0000 64.3405 31.8846 178.6304 476 Q 4.0458 7.9160 116.9273 57.6156 29.2051 176.3315 477 S 4.1792 7.9651 113.6273 57.7877 62.9317 174.1978 478 K 4.0616 8.6719 130.9943 59.5835 32.0743 178.2142 479 L 3.9387 7.8998 119.8769 58.0659 41.8615 178.6504 480 A 4.0394 7.9263 119.6797 55.1756 18.3984 179.2409 481 Q 4.1100 8.0359 115.5816 59.3333 29.1472 178.7980 482 E 4.1828 8.5605 119.8563 59.2114 29.4548 179.9716 483 N 4.5944 8.5464 115.8522 53.6145 38.6043 176.8359 *485 D 4.5978 8.1402 122.3974 54.5230 43.3031 178.2184 486 L 3.9283 8.1270 118.9456 57.8538 41.4911 179.4953 487 F 4.2612 8.1834 117.7649 60.3904 38.7684 177.5864 488 K 4.0335 8.1960 118.7733 59.6277 31.9686 178.4617 489 E 4.0105 8.2933 118.7788 59.5570 29.3377 179.1413 490 Q 3.9852 8.3898 119.6797 58.8289 29.0258 178.1644 491 W 4.0607 8.8149 129.7740 60.5985 30.8715 177.7490 492 E 4.0289 8.8075 119.0036 59.3371 28.9261 179.3455 493 K 3.9021 8.3479 119.7585 59.7303 32.2229 178.9720 494 Q 3.9093 8.3157 118.7014 58.6554 28.5181 178.8174 495 V 3.2618 7.5529 119.5313 65.7791 31.5553 177.9101 496 R 3.8135 7.7626 118.3721 59.6296 29.9075 178.6017 497 V 3.5724 7.7800 117.8447 65.7767 31.3542 177.8245 498 L 3.8983 8.0422 120.6430 58.3392 41.9730 179.0677 499 T 3.8659 8.5017 110.0954 64.8263 68.6852 176.3045 500 D 4.3194 8.3053 121.6425 57.1016 40.6045 178.5152 501 A 4.0240 7.7064 120.5108 55.0967 18.5213 179.5866 502 V 3.6850 8.0902 117.1916 65.9476 31.5073 177.8393 503 D 4.4857 8.1605 120.1756 57.0504 40.5337 178.4622 504 D 4.4883 7.8213 117.7656 56.9083 40.9348 178.1848 505 I 4.2169 7.3413 110.5556 61.2832 37.8803 176.6654 506 T 4.5416 8.1116 112.6157 61.3699 69.6330 173.9078 507 S 4.8366 7.5617 116.3661 56.1272 64.3686 174.2599 508 I 3.7931 8.6572 127.4034 64.5836 36.8037 177.6236 509 D 4.3802 8.1800 118.0363 57.4758 41.1017 177.8108 510 D 4.3834 8.1605 118.8227 57.4103 40.8868 178.3286 511 F 4.2366 8.3318 121.0154 61.3986 39.3491 177.1578 512 L 3.6911 8.6286 118.5797 57.5157 41.4128 179.2320 513 A 4.1021 8.3046 121.0903 55.4010 18.4028 179.8373 514 V 3.5314 7.8084 116.5716 66.3443 31.5467 178.4362 515 S 4.0828 7.9000 114.9078 61.3582 62.5423 176.4936 516 E 4.1877 8.2613 121.6219 59.2707 29.0823 178.8055 517 N 4.2318 8.1613 116.5926 56.8243 38.5899 177.0449 518 H 4.1373 8.0415 117.0565 58.9850 28.8304 178.0173 519 I 3.6984 8.3212 121.8444 64.3142 36.9865 178.2328 520 L 3.5486 8.5488 121.4928 57.8077 41.7831 178.2900 521 E 3.8464 8.3006 119.5212 59.7633 29.4639 178.7355 522 D 4.3927 8.4057 118.9105 57.2735 40.8540 178.9648 523 V 3.4483 8.1780 119.2863 65.9966 31.4460 177.6686 524 N 4.3232 8.2170 116.7816 56.6612 38.7630 177.1188 525 K 4.0377 8.1195 119.9352 59.2122 32.1894 179.0087 526 C 4.2322 8.9062 120.1606 62.5901 31.5733 175.8323 527 V 3.8600 8.0558 119.9118 65.9109 31.0506 178.0577 528 I 3.6452 7.9875 119.4975 64.4707 36.9990 178.0864 529 A 4.0402 8.3749 121.9208 55.0914 18.0122 179.5046 530 L 3.6796 7.7583 118.3198 58.5398 41.9877 179.3054 531 Q 4.0803 7.9061 118.8791 59.2391 28.6787 178.4628 532 E 4.3642 8.4381 119.5265 57.6281 29.9862 180.1536 533 K 3.9484 7.9094 118.9593 56.3623 29.7321 180.0269 534 D 4.6631 8.4599 121.2134 53.7366 40.7021 177.0023 535 V 3.6870 8.2583 127.3656 65.9261 31.6701 177.2263 536 D 4.4846 8.1669 118.3849 57.4289 40.7298 178.9706 537 G 3.6734 8.2029 106.9208 47.0847 0.0000 175.3398 538 L 4.0682 7.9536 121.4935 57.8231 41.7374 179.2506 539 D 4.3635 8.1481 118.5750 57.6358 40.9100 179.3625 540 R 4.0081 8.0249 116.3512 59.2798 29.4522 178.7757 541 T 3.8626 8.1420 113.8209 65.1171 67.4602 176.2097 542 A 4.4200 8.7277 123.1435 54.8482 18.2483 179.9344 543 G 3.5526 8.2625 104.5836 47.8846 0.0000 175.9095 544 A 3.9839 8.1548 123.3181 54.8469 18.2932 179.8825 545 I 3.6567 7.6998 117.8721 64.6106 37.2122 178.8847 546 R 4.0583 8.2013 119.0097 59.2178 30.0411 179.4046 547 G 3.6094 8.7127 105.9539 47.7699 0.0000 175.7685 548 R 3.8973 8.4838 121.5050 59.0815 30.1044 178.3895 549 A 3.9889 8.7673 120.8377 55.0960 18.3357 179.4045 550 A 3.9667 8.2349 119.3105 55.5132 18.4803 180.1234 551 R 4.0024 7.9824 116.1067 59.2342 30.0145 179.5408 552 V 3.9440 7.9770 118.1606 66.1444 31.6050 178.0143 553 I 3.6959 7.9771 119.6940 64.6925 36.9101 177.7407 554 H 4.0170 8.2638 118.7975 59.2912 29.6923 177.1977 555 V 3.4697 7.9443 119.8653 66.1642 31.0999 178.2137 556 V 3.6085 7.8783 116.5491 66.2314 31.4509 177.7173 557 T 3.9963 8.1238 114.8188 66.9233 68.3962 176.5206 558 S 4.5200 7.9133 117.1785 60.5410 63.2436 177.2346 559 E 4.1372 8.2310 124.1100 55.9759 29.4081 178.1817 *561 D 4.6148 8.1955 118.4653 54.0814 42.9645 177.0683 562 N 4.4617 8.3246 114.2265 54.0833 38.6367 174.1776 563 Y 4.8063 7.3526 114.9846 55.7816 41.3903 174.5492 564 E 4.4095 8.6819 122.2854 54.3835 30.7448 174.3442 565 P 4.7415 0.0000 0.0000 62.4190 32.2522 176.1926 566 G 4.0267 7.9030 107.1988 44.9133 0.0000 173.7686 567 V 3.6652 7.9523 111.4756 64.3775 30.9016 177.8964 568 Y 4.0808 7.9814 119.1856 61.0420 38.8218 178.1253 569 T 3.6262 7.9041 110.1292 64.6586 68.7298 176.0975 570 E 3.9066 7.9792 121.0940 58.9600 29.5100 179.0612 571 K 3.8292 8.1207 119.8624 59.3484 32.1664 179.0056 572 V 3.3462 7.4413 118.3187 66.1009 31.4098 178.0472 573 L 4.0418 7.9880 120.3147 57.0939 41.2683 179.5353 574 E 3.8952 8.4247 118.6821 59.3496 29.4296 179.1695 575 A 3.9592 7.8917 121.0415 55.2468 18.1040 179.8384 576 T 3.7987 8.2348 108.7349 64.9087 68.8227 177.0385 577 K 3.9424 8.3269 121.9153 58.9321 32.0670 178.8432 578 L 3.8030 8.1815 120.9529 58.1414 41.6736 178.9920 579 L 3.9112 7.5657 119.2571 58.2364 42.2449 178.8314 580 S 4.2842 8.4142 113.0635 60.7613 63.1491 175.1928 581 N 4.7350 8.8580 119.3849 54.0714 39.2146 174.5803 582 T 4.4237 7.5870 113.7954 65.1087 71.5181 176.6745 583 V 3.8276 7.9166 116.3220 63.5457 31.4116 176.1200 *585 P 4.3847 0.0000 0.0000 62.0547 33.3789 178.8637 586 R 4.1301 8.1847 119.5118 58.5713 29.8477 178.3958 587 F 4.1098 8.3701 120.5729 61.6363 39.4082 177.1099 588 T 3.5860 7.9513 115.0867 66.5987 68.2503 176.1674 589 E 3.8945 8.2115 119.4027 59.4883 29.6787 179.0021 590 Q 4.0507 7.8746 120.4875 58.8481 28.9121 178.1834 591 V 3.7461 7.3589 119.6028 65.7285 31.6532 177.5257 592 E 3.8689 8.4209 118.0765 59.6090 29.5062 179.6246 593 A 3.9446 8.1603 120.1598 55.2198 18.5148 179.5633 594 A 3.9318 7.8379 118.8703 55.2939 18.2048 179.8628 595 V 3.5289 7.8789 116.1376 66.1953 31.6716 177.4941 596 E 3.9959 7.9878 118.3536 59.3598 29.3924 178.5967 597 A 4.8561 8.0332 121.1618 53.5281 18.2896 178.3040 598 L 4.5087 7.5685 115.7241 54.8682 42.3554 177.5648 599 S 4.8152 7.8165 114.8293 57.0227 63.8105 173.6111 600 S 4.6268 7.3009 118.1343 56.5316 66.3845 174.1026 601 D 4.3967 9.2447 125.8653 56.0396 38.7594 176.6673 602 P 4.1131 0.0000 0.0000 62.9404 31.2642 175.0821 603 A 3.9387 8.1645 120.1898 51.0555 15.7955 176.5794 604 Q 4.1650 7.9520 118.7716 55.2895 29.8481 176.1283 605 P 4.5107 0.0000 0.0000 62.7235 31.4145 175.8122 *607 D 4.3718 8.3362 115.2374 54.4413 41.2215 175.9675 608 E 3.9525 8.5971 125.4149 59.1552 29.7968 177.5937 609 N 4.5434 8.2557 116.2607 56.6132 38.8552 176.1439 610 E 4.0615 9.5073 121.7360 58.7388 29.7700 178.3304 611 F 4.1103 8.1358 120.3846 61.3958 39.5209 177.2819 612 I 3.8769 8.5973 119.7969 64.5019 37.0721 177.9981 613 D 4.3883 8.1608 119.5530 57.5871 40.5720 178.9687 614 A 4.0788 8.3606 121.5174 54.9272 18.3235 179.8750 615 S 3.2293 8.0091 113.0590 61.4000 63.1864 176.9984 616 R 4.0119 8.0972 121.4574 58.6385 29.7475 178.9160 617 L 4.0425 7.6996 118.6774 57.1979 41.5622 179.4930 618 V 3.4352 7.2607 118.3540 66.0885 31.4518 177.3039 619 Y 4.0690 7.6323 118.7283 61.0260 38.6274 177.9937 620 D 4.2063 8.3211 119.7441 56.9882 40.8351 178.9850 621 G 3.5527 8.3444 106.8988 47.7751 0.0000 175.8683 622 I 3.6254 7.5752 122.2196 64.1843 37.0773 178.8004 623 R 4.4907 7.4740 120.1763 58.8514 29.7470 178.9156 624 D 4.2933 8.6006 119.0619 57.0950 40.6614 178.8945 625 I 3.6120 7.5101 120.4398 64.3476 37.1658 178.3377 626 R 3.8717 7.8644 119.4806 59.2854 29.6404 178.5032 627 K 3.8735 7.9327 116.9691 59.5023 32.1817 178.7259 628 A 4.0978 8.0399 119.7565 55.3148 18.4040 179.5541 629 V 3.6983 7.8359 117.0195 64.8921 31.5115 177.6274 630 L 4.2586 7.6275 117.5304 56.6095 42.3356 176.6262 *632 I 3.9459 7.5663 121.9071 61.5609 37.5312 175.4963 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 392 D 8.21 4.71 0.00 2.62 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 0.00 393 S 7.86 4.09 0.00 3.71 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 0.00 394 F 8.73 4.13 0.00 3.18 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 0.00 395 L 7.38 4.25 0.00 1.72 1.75 0.94 1.25 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 0.00 396 E 7.48 4.00 0.00 1.82 1.94 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 2.35 2.40 0.00 397 T 8.58 4.70 4.62 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 0.00 0.00 1.46 0.00 0.00 398 N 8.47 4.54 0.00 3.03 2.99 0.00 0.00 6.47 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 399 V 8.11 3.54 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 1.04 0.00 0.00 1.00 0.00 0.00 400 P 0.00 4.22 0.00 2.37 2.12 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 401 L 7.70 3.42 0.00 1.41 1.78 0.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 402 L 7.95 3.89 0.00 1.84 1.64 0.91 0.84 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 0.00 403 V 8.02 3.36 1.72 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 -0.01 0.00 0.00 0.77 0.00 0.00 404 L 7.99 3.89 0.00 1.74 1.66 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 405 I 7.89 3.61 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.86 0.00 0.00 406 E 8.15 3.78 0.00 2.11 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 2.25 2.33 0.00 407 A 8.25 4.03 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 0.00 408 A 8.08 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 K 8.52 3.96 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 410 N 7.89 4.88 0.00 2.73 2.83 0.00 0.00 7.07 7.07 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 0.00 411 G 8.03 4.01 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 0.00 0.00 0.00 412 N 7.80 4.62 0.00 2.82 2.89 0.00 0.00 7.22 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 0.00 413 E 8.53 4.09 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 414 K 8.02 3.99 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.09 7.81 415 E 8.34 3.91 0.00 2.27 2.29 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 2.28 2.34 0.00 416 V 7.59 3.61 2.16 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 1.04 0.00 0.00 1.01 0.00 0.00 417 K 8.09 3.96 0.00 1.81 1.75 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.61 7.81 418 E 7.72 3.87 0.00 1.92 1.55 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 2.19 2.22 0.00 419 Y 8.18 4.39 0.00 3.01 2.90 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 0.00 420 A 8.48 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 Q 7.82 3.95 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 422 V 7.71 3.64 2.37 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 1.04 0.00 0.00 1.08 0.00 0.00 423 F 8.49 4.12 0.00 3.02 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 0.00 424 R 8.23 3.55 0.00 1.98 2.07 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 425 E 8.37 3.91 0.00 2.30 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 0.00 2.37 2.46 0.00 426 H 8.80 4.75 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0.00 1.94 1.86 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 2.34 2.45 0.00 495 V 7.55 3.26 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 0.97 0.00 0.00 0.43 0.00 0.00 496 R 7.76 3.81 0.00 2.03 2.07 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 497 V 7.78 3.57 2.15 0.00 0.00 0.00 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 0.94 0.00 0.00 498 L 8.04 3.90 0.00 1.68 1.67 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 499 T 8.50 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 500 D 8.31 4.32 0.00 2.78 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 0.00 0.00 0.00 0.00 501 A 7.71 4.02 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 0.00 502 V 8.09 3.69 2.08 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 F 8.33 4.24 0.00 3.32 3.35 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 0.00 512 L 8.63 3.69 0.00 1.83 1.66 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 513 A 8.30 4.10 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 0.00 514 V 7.81 3.53 2.16 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 1.06 0.00 0.00 0.96 0.00 0.00 515 S 7.90 4.08 0.00 3.73 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 E 8.26 4.19 0.00 2.22 2.25 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 2.19 2.49 0.00 517 N 8.16 4.23 0.00 2.82 2.77 0.00 0.00 7.01 8.27 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 0.00 518 H 8.04 4.14 0.00 3.31 3.32 0.00 5.62 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 0.00 519 I 8.32 3.70 2.06 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 1.41 0.63 1.00 0.00 0.00 520 L 8.55 3.55 0.00 0.78 1.41 0.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 521 E 8.30 3.85 0.00 2.14 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 2.30 2.34 0.00 522 D 8.41 4.39 0.00 2.72 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 0.00 523 V 8.18 3.45 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 0.89 0.00 0.00 0.84 0.00 0.00 524 N 8.22 4.32 0.00 2.81 2.91 0.00 0.00 7.25 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 K 8.12 4.04 0.00 2.00 1.87 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.59 7.81 526 C 8.91 4.23 0.00 3.24 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 V 8.06 3.86 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.19 0.00 0.00 528 I 7.99 3.65 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.72 0.91 0.00 0.00 529 A 8.37 4.04 1.39 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 0.00 0.00 0.00 530 L 7.76 3.68 0.00 1.21 1.56 0.41 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 531 Q 7.91 4.08 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 532 E 8.44 4.36 0.00 2.03 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 2.24 2.19 0.00 533 K 7.91 3.95 0.00 1.86 1.75 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.22 7.81 534 D 8.46 4.66 0.00 2.68 2.72 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 0.00 535 V 8.26 3.69 2.07 0.00 0.00 0.00 0.00 0.00 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0.00 2.91 2.75 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 0.00 562 N 8.32 4.46 0.00 2.44 2.52 0.00 0.00 6.77 7.06 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 0.00 563 Y 7.35 4.81 0.00 3.13 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 0.00 564 E 8.68 4.41 0.00 1.98 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 0.00 2.29 2.35 0.00 565 P 0.00 4.74 0.00 2.10 2.02 0.00 3.88 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 566 G 7.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 V 7.95 3.67 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 0.79 0.00 0.00 0.97 0.00 0.00 568 Y 7.98 4.08 0.00 2.95 2.90 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 0.00 569 T 7.90 3.63 4.21 0.00 0.00 0.00 0.00 0.00 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1.72 1.55 0.00 587 F 8.37 4.11 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 0.00 588 T 7.95 3.59 4.21 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 1.16 0.00 0.00 589 E 8.21 3.89 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 590 Q 7.87 4.05 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.54 0.00 591 V 7.36 3.75 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 1.04 0.00 0.00 0.11 0.00 0.00 592 E 8.42 3.87 0.00 2.01 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 2.30 2.57 0.00 593 A 8.16 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 A 7.84 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 V 7.88 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 0.82 0.00 0.00 0.99 0.00 0.00 596 E 7.99 4.00 0.00 2.22 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 0.00 2.30 2.37 0.00 597 A 8.03 4.86 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 0.00 598 L 7.57 4.51 0.00 1.82 1.68 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 599 S 7.82 4.82 0.00 3.94 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 0.00 600 S 7.30 4.63 0.00 3.97 3.69 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 0.00 601 D 9.24 4.40 0.00 2.77 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 0.00 602 P 0.00 4.11 0.00 2.19 2.23 0.00 3.85 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 1.98 1.96 0.00 603 A 8.16 3.94 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 0.00 604 Q 7.95 4.16 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 605 P 0.00 4.51 0.00 2.03 2.06 0.00 3.70 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 2.03 2.09 0.00 *607 D 8.34 4.37 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 E 8.60 3.95 0.00 2.05 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 2.42 2.34 0.00 609 N 8.26 4.54 0.00 2.90 2.84 0.00 0.00 6.81 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 0.00 610 E 9.51 4.06 0.00 2.13 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 0.00 2.49 2.35 0.00 611 F 8.14 4.11 0.00 3.21 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 I 8.60 3.88 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.10 0.97 0.00 0.00 613 D 8.16 4.39 0.00 2.94 2.75 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 0.00 614 A 8.36 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 S 8.01 3.23 0.00 3.75 4.01 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 0.00 616 R 8.10 4.01 0.00 1.95 2.04 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 617 L 7.70 4.04 0.00 1.84 1.68 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 618 V 7.26 3.44 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 0.84 0.00 0.00 0.50 0.00 0.00 619 Y 7.63 4.07 0.00 3.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 D 8.32 4.21 0.00 2.81 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 0.00 621 G 8.34 3.55 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 0.00 622 I 7.58 3.63 1.82 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 1.60 0.77 0.79 0.00 0.00 623 R 7.47 4.49 0.00 1.71 1.77 0.00 2.69 0.00 0.00 2.94 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.00 624 D 8.60 4.29 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 I 7.51 3.61 1.99 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 1.36 0.80 0.89 0.00 0.00 626 R 7.86 3.87 0.00 1.84 1.99 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 627 K 7.93 3.87 0.00 1.91 1.84 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.57 7.81 628 A 8.04 4.10 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 0.00 629 V 7.84 3.70 2.25 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 1.10 0.00 0.00 0.94 0.00 0.00 630 L 7.63 4.26 0.00 1.85 1.71 0.99 0.71 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 *632 I 7.57 3.95 1.96 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 1.28 0.49 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.