NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 403 K 4.2181 8.3149 121.7786 56.3709 34.4440 176.4691 404 D 4.1127 8.0208 121.5040 56.0602 42.0941 174.9600 405 Y 4.9506 8.9667 115.7239 56.1698 42.4120 176.4418 406 D 4.5596 9.6235 121.3219 57.2824 42.3744 176.4238 407 A 4.8860 7.8630 116.7595 51.1658 22.8376 174.5107 408 Y 4.8642 9.0514 122.9247 56.0665 40.6515 174.4777 409 L 4.6875 8.1658 127.7680 53.8650 42.8791 176.2456 410 S 4.9415 9.4580 120.4649 56.8290 64.3340 172.2619 411 Y 5.4672 8.2980 124.1252 56.1177 41.6885 174.1784 412 T 5.0022 9.0080 115.0857 61.9731 71.5184 174.7575 413 K 4.5693 8.1770 121.8845 56.0494 35.2124 178.6347 414 V 3.0502 8.4503 122.6588 64.8011 30.2035 173.7502 *423 T 4.0642 8.9145 107.8459 62.3235 68.7481 171.5073 424 G 4.4223 8.4891 119.1379 46.0618 0.0000 175.8333 425 E 4.0981 8.0905 118.6971 58.6971 29.9126 179.1565 426 E 3.6307 8.2428 118.1207 59.1052 29.4957 179.0300 427 E 3.7868 8.0242 118.9359 59.3469 29.8474 178.6904 428 R 3.8813 7.8985 118.4790 59.0849 30.0113 178.3324 429 F 4.0223 8.3623 120.5273 61.2560 39.2011 177.1106 430 A 3.6200 7.5275 118.9052 54.7724 18.2311 179.0239 431 L 3.9370 7.6064 116.0054 56.2109 42.1447 176.4208 432 E 4.5055 7.7387 114.8358 57.7539 32.4246 177.7274 433 I 3.7148 8.2871 119.9076 64.7003 37.5861 177.4677 434 L 4.3589 7.9744 120.5393 57.8663 42.0887 176.5663 435 P 4.4515 0.0000 0.0000 65.8360 31.6176 178.7724 436 D 4.6298 8.4420 114.6382 55.3120 40.2944 178.0738 *438 L 4.7086 8.0429 121.1195 55.1681 43.5121 179.0966 439 E 4.3979 8.5111 117.2866 58.2717 29.7839 179.0572 440 K 4.0525 8.2564 116.9349 58.2545 32.8261 177.6344 441 H 4.2474 8.1009 117.1307 58.1617 30.2750 175.5156 442 Y 4.0278 7.7032 114.3809 58.2633 38.2636 176.5997 443 G 3.8052 8.2045 106.5529 45.5131 0.0000 172.9246 444 Y 4.7244 8.0635 117.3660 57.5095 39.7515 174.8539 445 K 4.7417 10.0838 124.0085 55.3230 33.4458 175.2118 446 L 5.1586 8.6082 127.5836 53.3031 44.2495 176.3819 447 F 4.2378 8.6626 124.1898 56.6797 41.0616 174.6661 448 I 4.0959 8.2426 129.1412 58.9911 38.4707 174.9161 449 P 4.0934 0.0000 0.0000 65.7358 31.2500 178.8091 450 D 4.5353 7.9154 115.1611 56.3214 40.9772 177.1484 451 R 4.3089 7.5975 117.5743 56.8318 31.4719 176.0443 452 D 4.5551 8.2529 115.8845 53.6130 42.0867 175.7481 453 L 4.6643 7.9723 121.7300 53.1598 43.5411 175.9947 454 I 4.1802 8.1949 127.1648 58.8425 36.4304 173.0837 455 P 4.4081 0.0000 0.0000 63.1008 31.7256 176.0412 456 T 4.5523 8.2293 114.4040 60.6504 70.9848 174.2231 457 G 3.7729 8.9042 108.8724 48.2024 0.0000 174.2168 458 T 4.5592 7.6857 110.3305 61.5035 69.3615 175.5358 459 Y 4.2485 7.9542 124.3084 62.0301 38.5585 178.2411 460 I 3.3495 7.8174 119.6338 64.4410 37.2543 177.9769 461 E 3.9317 8.0398 119.4694 59.2474 29.4493 178.4002 462 D 4.3527 8.5516 119.5322 57.0393 40.7561 178.9003 463 V 3.4877 7.7053 118.6274 65.9290 31.5507 177.8931 464 A 3.8670 7.5842 120.1096 55.0586 18.1697 179.6478 465 R 3.7445 7.8882 117.0687 59.9220 30.0357 178.6365 466 C 4.0168 7.9301 115.3108 62.5218 28.1527 176.1068 467 V 3.5017 7.7619 120.2237 65.9421 30.8994 177.5946 468 D 4.3734 7.7972 116.4657 56.9970 41.1606 176.7080 469 Q 4.4007 7.8691 116.7918 55.8107 28.9557 175.0332 470 S 5.3746 7.9619 114.8771 56.6886 65.1277 174.6690 471 K 4.2636 8.8522 123.1912 58.8181 32.4853 177.2882 472 R 4.8053 7.8256 117.4390 54.6078 35.4490 173.7386 473 L 4.9353 8.6745 123.4451 53.4953 44.7011 175.0094 474 I 4.8710 8.9950 128.1859 59.8350 39.4191 174.6829 475 I 4.7172 8.7059 128.9135 59.9197 39.0342 175.8248 476 V 4.1233 8.0585 129.2031 61.4742 34.2032 174.3686 *478 T 4.2143 8.1208 110.1550 60.7002 69.9739 172.7902 479 P 4.3433 0.0000 0.0000 66.0694 31.0948 178.7378 480 N 4.4423 8.2393 114.6242 56.3666 38.4170 176.7065 481 Y 4.1099 7.7579 122.2344 59.9616 38.7762 178.2151 482 V 3.8433 7.9962 118.8587 66.0758 31.5188 178.1849 483 V 3.6259 7.7271 116.6068 65.9138 31.5457 177.4499 484 R 4.0980 8.1568 114.5844 55.1934 31.4770 176.2611 485 R 3.2439 7.6377 118.0904 56.6929 27.8123 177.7534 486 G 2.9100 7.1287 105.3042 46.9420 0.0000 173.6439 487 W 4.8600 6.6515 116.0045 56.9829 29.3657 178.1843 488 S 3.8319 7.2451 116.9038 61.8054 62.5539 176.5897 489 I 3.4897 7.4160 119.4231 63.8866 37.7554 177.6258 490 F 4.4493 7.4164 117.7964 59.6626 38.9279 175.9390 491 E 4.4803 8.0639 118.6295 57.6804 30.5621 177.3471 492 L 3.9593 8.1862 120.6117 57.8428 42.3469 176.7842 493 E 4.0683 8.3213 122.3154 55.9947 29.7759 176.8491 494 T 3.8742 8.8689 124.2659 67.1386 68.2678 176.2572 495 R 3.9017 8.0979 118.5199 59.2402 30.2880 178.0515 496 L 4.1234 8.8561 118.6368 57.7818 41.8907 179.0518 497 R 4.2006 8.2784 118.9223 59.2833 29.9953 178.9736 498 N 4.6486 8.0163 115.8052 53.6530 38.9514 176.7065 *500 L 4.1609 7.8869 119.0396 54.3623 43.6949 179.6093 501 V 3.8421 7.7841 116.0990 65.6381 31.5012 177.3030 502 T 4.0125 8.2531 115.6194 64.5597 68.5019 175.3186 503 G 3.8511 8.2031 108.6479 46.2024 0.0000 174.3431 504 E 4.1701 8.1347 120.1644 57.1763 30.0441 176.9462 505 I 4.4254 7.4129 118.8653 59.0684 40.1620 174.6249 506 K 4.4682 8.4823 124.6813 55.5165 33.6331 175.5973 507 V 4.7282 8.9438 125.9413 61.1236 34.0595 174.3934 508 I 4.7020 8.8063 129.0817 59.6877 39.3256 174.3349 509 L 4.8491 8.7820 131.0977 53.5892 43.5491 175.1836 510 I 4.8172 8.5876 128.8336 59.9484 38.5398 175.4549 511 E 4.3581 9.2259 128.5413 55.2948 30.5656 177.2244 512 C 5.2763 8.2146 124.6352 58.8362 29.3650 174.1591 513 S 4.4707 7.6907 109.5022 57.4382 64.8068 174.6605 514 E 4.0311 8.9643 125.9551 55.4794 29.3110 176.2543 515 L 4.1090 8.5330 127.1232 55.2683 40.5286 175.9496 516 R 4.2458 8.3513 124.1100 55.5715 30.8973 175.1868 517 G 4.0482 9.2604 114.1778 44.2693 0.0000 174.4120 518 I 3.7556 8.7670 116.1821 62.7366 37.9232 177.1000 *520 N 4.6931 8.2189 119.0562 54.0831 40.5102 175.7533 521 Y 3.9448 8.3700 118.6223 61.1679 38.7205 178.4978 522 Q 4.1403 8.5503 118.8152 58.6960 28.7359 178.4866 523 E 3.8652 8.0988 120.0534 59.2988 29.8779 178.8572 524 V 3.1998 8.0806 118.6690 65.8639 31.5128 177.7292 525 E 3.6385 8.2637 118.5225 59.3064 29.0240 179.2693 526 A 3.9102 7.7425 119.9986 54.7726 18.6642 179.1477 527 L 3.7900 7.5682 118.9636 58.1495 42.0740 179.3410 528 K 3.8667 7.8203 118.3660 59.7707 31.8132 178.7209 529 H 4.4654 7.9305 114.4724 57.5752 28.7138 176.6450 530 T 4.5455 7.7481 111.2418 60.6869 69.0198 173.8131 531 I 4.5853 7.1555 123.5343 59.5517 38.2599 175.3322 532 K 3.9486 8.8132 127.9860 59.2663 32.5762 178.1641 533 L 4.5232 7.7147 122.5304 52.8683 40.2905 174.3016 534 L 5.1668 7.8100 122.2293 53.1986 45.4012 175.1519 535 T 4.6400 8.6918 118.9592 60.3630 70.7891 172.3231 536 V 4.8269 8.5217 128.1555 61.2359 33.7701 174.5909 537 I 4.6392 8.6675 127.8770 59.3451 40.5510 174.3168 538 K 4.4979 8.8382 128.3308 55.3323 33.2906 175.5743 539 W 4.1537 8.7022 135.0000 55.9051 30.8504 175.2066 540 H 4.0080 8.2385 125.5737 56.3970 28.7368 176.2427 541 G 2.6527 5.7254 105.4150 42.7498 0.0000 170.8770 542 P 4.1130 0.0000 0.0000 65.7416 31.7037 178.9285 543 K 4.0050 7.8387 116.8652 59.5964 32.0476 178.5902 544 C 4.2606 7.9957 115.7439 61.8277 28.1207 174.7260 545 N 5.0081 8.3558 117.5794 55.5768 38.5336 175.8285 546 K 3.8477 7.7828 117.8433 56.4854 32.5938 175.3493 547 L 3.8731 8.6598 127.1663 57.0749 42.2267 176.0816 548 N 4.4820 9.0311 121.1909 54.7362 35.9937 175.1723 549 S 4.6597 8.1128 113.9898 57.6240 65.6057 174.4088 550 K 4.0290 8.6161 120.9695 59.3897 31.6137 179.2809 551 F 3.9921 8.2048 120.4957 61.2229 39.3855 177.0871 552 W 4.5399 8.0175 118.6020 59.7516 28.8770 178.7060 553 K 4.1214 8.4992 118.5409 59.4888 31.5290 179.3377 554 R 3.9183 8.0855 118.9089 59.3340 29.7904 178.3181 555 L 3.7985 7.5598 118.9213 58.0726 42.1471 178.2150 556 Q 3.9524 8.2562 118.7967 59.4094 29.0083 177.4267 557 Y 4.2335 7.9315 119.2223 60.4378 39.2799 178.4084 558 E 3.9051 7.8615 120.0100 54.5594 29.3861 174.4730 *560 P 4.0574 0.0000 0.0000 62.6782 32.8409 176.3639 561 F 4.0803 8.6492 115.6300 57.8412 38.3001 174.7018 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 403 K 8.31 4.22 0.00 1.66 1.67 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.45 7.81 404 D 8.02 4.11 0.00 2.36 1.54 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 0.00 405 Y 8.97 4.95 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 D 9.62 4.56 0.00 2.88 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 0.00 407 A 7.86 4.89 1.17 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 0.00 0.00 408 Y 9.05 4.86 0.00 3.06 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.69 0.00 1.38 1.28 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 410 S 9.46 4.94 0.00 4.37 4.17 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 0.00 411 Y 8.30 5.47 0.00 2.86 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 0.00 412 T 9.01 5.00 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 1.27 0.00 0.00 413 K 8.18 4.57 0.00 1.73 1.66 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.42 7.81 414 V 8.45 3.05 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 0.74 0.00 0.00 0.94 0.00 0.00 *423 T 8.91 4.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 424 G 8.49 4.42 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 0.00 425 E 8.09 4.10 0.00 2.19 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 2.48 2.43 0.00 426 E 8.24 3.63 0.00 2.02 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 2.59 2.55 0.00 427 E 8.02 3.79 0.00 2.01 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 0.00 2.30 2.29 0.00 428 R 7.90 3.88 0.00 2.05 2.16 0.00 3.18 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 429 F 8.36 4.02 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 A 7.53 3.62 1.14 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 0.00 0.00 431 L 7.61 3.94 0.00 1.56 1.56 0.27 0.57 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 0.00 432 E 7.74 4.51 0.00 2.12 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 2.25 2.23 0.00 433 I 8.29 3.71 2.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 1.38 0.00 0.00 434 L 7.97 4.36 0.00 0.51 1.40 1.25 1.16 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 0.00 435 P 0.00 4.45 0.00 2.24 2.12 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 436 D 8.44 4.63 0.00 2.89 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 *438 L 8.04 4.71 0.00 1.90 2.03 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 439 E 8.51 4.40 0.00 2.17 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 2.65 2.41 0.00 440 K 8.26 4.05 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 441 H 8.10 4.25 0.00 2.76 2.80 0.00 5.91 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 0.00 442 Y 7.70 4.03 0.00 3.14 2.43 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 0.00 443 G 8.20 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 0.00 0.00 0.00 444 Y 8.06 4.72 0.00 3.24 2.94 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 0.00 445 K 10.08 4.74 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.54 7.81 446 L 8.61 5.16 0.00 1.65 1.54 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 447 F 8.66 4.24 0.00 1.86 2.39 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 0.00 448 I 8.24 4.10 1.62 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 1.05 0.68 0.72 0.00 0.00 449 P 0.00 4.09 0.00 2.08 2.22 0.00 3.15 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 450 D 7.92 4.54 0.00 2.70 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 0.00 451 R 7.60 4.31 0.00 1.66 1.87 0.00 3.15 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 452 D 8.25 4.56 0.00 1.58 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 0.00 0.00 0.00 0.00 453 L 7.97 4.66 0.00 1.73 1.78 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 454 I 8.19 4.18 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.93 0.00 0.00 455 P 0.00 4.41 0.00 1.94 1.74 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 456 T 8.23 4.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 457 G 8.90 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 0.00 458 T 7.69 4.56 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 459 Y 7.95 4.25 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 I 7.82 3.35 1.84 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 1.60 1.29 0.83 0.00 0.00 461 E 8.04 3.93 0.00 2.01 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 2.35 2.37 0.00 462 D 8.55 4.35 0.00 2.82 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 0.00 463 V 7.71 3.49 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 0.90 0.00 0.00 0.43 0.00 0.00 464 A 7.58 3.87 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 465 R 7.89 3.74 0.00 1.97 2.04 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 466 C 7.93 4.02 0.00 2.72 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 0.00 0.00 0.00 467 V 7.76 3.50 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 0.80 0.00 0.00 0.18 0.00 0.00 468 D 7.80 4.37 0.00 2.79 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 0.00 469 Q 7.87 4.40 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 470 S 7.96 5.37 0.00 4.02 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 0.00 471 K 8.85 4.26 0.00 1.81 1.81 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.57 7.81 472 R 7.83 4.81 0.00 1.82 1.69 0.00 3.13 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 473 L 8.67 4.94 0.00 1.53 1.31 0.68 0.02 0.00 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 0.00 474 I 8.99 4.87 1.90 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 1.21 0.44 0.94 0.00 0.00 475 I 8.71 4.72 1.85 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 1.28 0.74 0.83 0.00 0.00 476 V 8.06 4.12 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 0.78 0.00 0.00 1.04 0.00 0.00 *478 T 8.12 4.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 479 P 0.00 4.34 0.00 2.23 2.21 0.00 3.65 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 480 N 8.24 4.44 0.00 2.80 2.92 0.00 0.00 6.75 7.48 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 0.00 481 Y 7.76 4.11 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 V 8.00 3.84 2.38 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 1.08 0.00 0.00 1.12 0.00 0.00 483 V 7.73 3.63 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 0.90 0.00 0.00 0.97 0.00 0.00 484 R 8.16 4.10 0.00 1.70 1.82 0.00 3.48 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 485 R 7.64 3.24 0.00 1.43 0.66 0.00 2.96 0.00 0.00 2.91 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 486 G 7.13 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 0.00 0.00 0.00 487 W 6.65 4.86 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 488 S 7.25 3.83 0.00 3.49 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 0.00 489 I 7.42 3.49 1.60 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.38 -0.02 0.00 0.00 490 F 7.42 4.45 0.00 3.41 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 491 E 8.06 4.48 0.00 2.25 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 2.66 2.64 0.00 492 L 8.19 3.96 0.00 1.60 1.78 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 493 E 8.32 4.07 0.00 2.05 1.81 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 2.25 2.35 0.00 494 T 8.87 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 1.21 0.00 0.00 495 R 8.10 3.90 0.00 1.78 2.05 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 496 L 8.86 4.12 0.00 1.85 1.84 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 497 R 8.28 4.20 0.00 2.07 1.95 0.00 3.38 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 498 N 8.02 4.65 0.00 3.11 2.75 0.00 0.00 7.21 6.72 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 *500 L 7.89 4.16 0.00 1.97 1.83 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 501 V 7.78 3.84 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 1.08 0.00 0.00 502 T 8.25 4.01 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 503 G 8.20 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 E 8.13 4.17 0.00 1.93 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 2.27 2.24 0.00 505 I 7.41 4.43 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.77 0.00 0.00 506 K 8.48 4.47 0.00 1.64 1.67 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.37 7.81 507 V 8.94 4.73 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 0.92 0.00 0.00 0.85 0.00 0.00 508 I 8.81 4.70 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.89 0.00 0.00 509 L 8.78 4.85 0.00 1.67 1.51 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 510 I 8.59 4.82 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 1.23 0.00 0.00 511 E 9.23 4.36 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 512 C 8.21 5.28 0.00 2.87 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 0.00 513 S 7.69 4.47 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 E 8.96 4.03 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 2.32 2.44 0.00 515 L 8.53 4.11 0.00 1.87 1.82 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 516 R 8.35 4.25 0.00 1.79 1.88 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 517 G 9.26 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 I 8.77 3.76 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.90 0.00 0.00 *520 N 8.22 4.69 0.00 3.04 3.04 0.00 0.00 6.66 7.48 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 0.00 521 Y 8.37 3.94 0.00 3.11 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 0.00 522 Q 8.55 4.14 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 523 E 8.10 3.87 0.00 2.18 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 2.55 2.46 0.00 524 V 8.08 3.20 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 0.78 0.00 0.00 0.94 0.00 0.00 525 E 8.26 3.64 0.00 1.97 1.75 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 1.71 2.29 0.00 526 A 7.74 3.91 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 527 L 7.57 3.79 0.00 0.86 1.36 0.85 -0.20 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 0.00 528 K 7.82 3.87 0.00 1.83 1.76 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.48 7.81 529 H 7.93 4.47 0.00 3.22 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 T 7.75 4.55 4.25 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 1.24 0.00 0.00 531 I 7.16 4.59 1.92 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 1.14 0.79 0.85 0.00 0.00 532 K 8.81 3.95 0.00 1.92 1.80 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 533 L 7.71 4.52 0.00 1.78 1.56 0.96 0.42 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 0.00 534 L 7.81 5.17 0.00 1.57 1.47 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 535 T 8.69 4.64 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 1.29 0.00 0.00 536 V 8.52 4.83 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 0.92 0.00 0.00 0.90 0.00 0.00 537 I 8.67 4.64 1.93 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 1.08 0.66 0.79 0.00 0.00 538 K 8.84 4.50 0.00 1.76 1.55 0.00 1.43 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.30 7.81 539 W 8.70 4.15 0.00 2.82 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 H 8.24 4.01 0.00 2.81 3.12 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 541 G 5.73 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 0.00 0.00 0.00 542 P 0.00 4.11 0.00 2.13 2.21 0.00 3.38 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 543 K 7.84 4.00 0.00 1.58 1.77 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.32 7.81 544 C 8.00 4.26 0.00 2.03 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 0.00 0.00 0.00 0.00 545 N 8.36 5.01 0.00 3.07 3.24 0.00 0.00 6.86 7.40 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 0.00 546 K 7.78 3.85 0.00 1.93 1.95 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.50 7.81 547 L 8.66 3.87 0.00 1.59 1.60 0.39 0.97 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 0.00 548 N 9.03 4.48 0.00 3.01 3.03 0.00 0.00 7.06 7.57 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 0.00 549 S 8.11 4.66 0.00 4.13 4.35 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 0.00 550 K 8.62 4.03 0.00 1.87 1.95 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.54 7.81 551 F 8.20 3.99 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 W 8.02 4.54 0.00 3.72 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 K 8.50 4.12 0.00 2.04 1.95 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.81 7.81 554 R 8.09 3.92 0.00 1.90 2.05 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 555 L 7.56 3.80 0.00 1.17 1.75 0.87 0.93 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 0.00 556 Q 8.26 3.95 0.00 1.83 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 557 Y 7.93 4.23 0.00 3.04 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 E 7.86 3.91 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 *560 P 0.00 4.06 0.00 2.08 2.02 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 561 F 8.65 4.08 0.00 3.31 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.