NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 393 S 4.2669 8.3349 116.7639 57.6738 64.8713 173.3045 394 F 4.9327 7.6404 118.8538 54.5541 42.2248 172.3519 395 L 4.0331 9.4672 129.3764 58.2791 43.2502 176.1422 396 E 4.3606 7.9806 117.9457 56.1969 30.1775 176.2750 397 T 4.6209 8.1548 116.2856 60.1948 70.4349 173.5099 398 N 4.7151 8.7309 123.6995 55.4839 38.8668 176.7579 399 V 3.5362 7.8462 119.2849 65.4908 31.0349 175.5718 400 P 4.3118 0.0000 0.0000 65.6636 31.5512 177.6970 401 L 3.9702 7.9871 119.1103 57.3851 42.1941 178.0795 402 L 3.8768 8.0022 118.2905 58.1559 41.6246 179.7986 403 V 2.9387 7.6937 116.7683 66.3344 31.4151 177.2104 404 L 4.0009 7.2652 117.2487 57.2240 41.8751 178.2945 405 I 3.5891 8.2685 119.8126 64.5093 36.9806 176.8984 406 E 4.5117 8.6554 118.7151 56.4571 30.4322 176.8901 407 A 4.4852 8.2958 119.6382 50.3363 21.3013 178.9797 408 A 4.1257 7.6851 117.7597 54.4745 18.4687 179.5255 409 K 4.0353 8.0327 116.8344 58.4627 32.6453 177.3350 410 N 4.9552 7.4956 116.2775 54.2580 39.6792 175.3361 411 G 4.3036 7.8679 105.2808 45.9241 0.0000 175.1734 412 N 4.6076 7.7078 121.6000 51.5848 38.5457 174.5300 413 E 3.9519 8.5972 127.4794 59.4253 29.7311 178.8966 414 K 3.8607 8.1681 117.4838 60.4916 32.0743 178.1687 415 E 4.1057 9.4908 118.2523 59.7228 29.0923 179.4141 416 V 3.5110 8.0515 119.5087 66.9682 32.2198 178.5616 417 K 4.0765 8.7867 118.1637 59.2937 31.6813 179.1265 418 E 3.9336 8.5710 119.4504 59.1152 29.7025 177.5611 419 Y 4.3888 8.4766 114.5563 58.1055 37.9122 177.1898 420 A 4.2259 7.8319 123.6361 54.5917 18.3751 180.3549 421 Q 3.8791 7.9815 116.6698 59.2034 28.9644 178.3094 422 V 3.8544 7.8105 114.1867 64.0151 31.6503 178.0105 423 F 4.0615 7.9389 118.4330 61.7321 39.0800 177.3050 424 R 3.8216 7.7460 117.6521 59.2362 29.6918 178.4260 425 E 3.9383 8.3780 118.7387 59.6857 29.5179 178.7042 426 H 4.2241 9.0130 118.6308 59.2781 29.8846 177.1805 427 A 4.0321 8.0003 122.5786 55.0877 18.1842 179.3914 428 N 4.3358 8.2501 115.2001 56.1657 38.5499 177.8828 429 K 3.9937 8.0787 120.2271 59.4228 32.1243 179.4124 430 L 3.9864 7.8235 119.3001 57.8137 41.5510 179.6138 431 I 3.8303 7.9360 119.7194 63.8507 37.0284 178.0333 432 E 3.9681 8.1212 120.6622 59.0725 29.4863 178.8972 433 V 3.6094 7.9485 118.2016 65.7775 31.4606 177.9572 434 A 4.0136 7.8654 120.3881 54.9910 18.1708 179.3774 435 N 4.2427 8.0849 114.9407 56.2566 38.6360 177.2651 436 L 3.8724 8.0235 121.3832 58.1517 42.0103 178.5426 437 A 3.9892 7.6661 119.3536 55.7520 18.5525 179.1716 438 C 4.2173 8.3258 114.9904 62.8248 27.9705 175.8845 439 S 4.1007 8.0581 114.3620 61.5604 62.0115 175.7557 440 I 4.0927 7.5956 111.7759 60.4212 38.0280 175.0142 441 S 4.7410 7.3903 115.3491 57.1357 63.9735 173.2449 442 N 4.7813 8.6281 122.5507 53.2527 38.7983 175.6602 443 N 4.6017 7.6750 119.6827 51.6438 38.1856 174.6448 444 E 3.8784 8.5119 126.8887 59.3091 29.6541 177.9482 445 E 4.0303 8.2327 117.5729 59.6451 29.7941 179.5541 446 G 3.6596 8.0625 104.9622 47.9109 0.0000 175.6053 447 V 3.6667 8.1245 120.6244 65.5813 31.2674 178.3246 448 K 3.9783 7.7173 117.2026 59.2815 31.9627 178.9435 449 L 4.1182 7.4075 118.1451 57.8897 41.8642 179.3161 450 V 3.7696 7.6196 117.6019 66.1141 31.4448 178.0822 451 R 4.0074 8.1339 114.9273 58.0729 30.0796 178.2364 *453 S 4.7733 8.2148 115.8421 58.7164 65.1776 176.0296 454 A 3.9316 8.2531 122.0014 55.1550 18.0724 179.7301 455 S 4.0570 8.0485 113.6402 62.0237 62.9297 177.0335 456 Q 4.0507 8.0298 120.0255 59.0048 28.3795 178.6167 457 L 3.9289 8.0878 121.3313 57.8440 41.7981 178.6958 458 E 3.9895 8.4670 119.0586 59.0653 28.9705 178.4034 459 A 4.1521 8.5861 121.2237 55.2153 18.5523 179.4377 460 L 4.1513 8.7776 119.1016 58.0759 42.0402 178.3336 461 C 3.8751 8.1392 119.0313 62.3020 31.3781 173.8343 462 P 4.1896 0.0000 0.0000 65.6186 31.1469 178.2617 463 Q 3.7508 7.2993 117.2555 59.2036 28.1041 179.8410 464 V 3.2659 7.4302 118.6598 65.8474 31.3942 177.8951 465 I 3.4776 7.4345 118.3849 64.0119 37.7156 177.6425 466 N 4.2728 8.7876 117.6138 56.2027 38.4926 177.2087 467 A 3.7374 7.9851 121.2834 54.3758 18.3668 179.5755 468 A 3.8543 7.3917 118.8101 55.1355 18.4618 179.5634 469 L 3.8709 7.8691 116.0435 57.9081 42.0766 179.2762 470 A 4.1403 8.5843 121.2266 55.4116 18.3725 179.5792 471 L 3.9892 7.8600 117.7917 57.8088 42.1493 178.2192 472 A 4.9452 8.3548 119.6089 52.6717 17.8809 178.1244 473 A 4.5238 7.7842 119.9363 51.9842 21.7720 177.4590 474 K 4.6258 7.9284 116.0758 55.2050 32.4855 175.9639 475 P 4.2367 0.0000 0.0000 65.8827 31.9856 177.4812 476 Q 4.2169 7.7967 116.8424 56.5653 30.2685 174.3872 477 S 4.0988 8.3897 112.8737 58.4553 61.0245 174.1618 478 K 4.2154 8.4261 127.6665 57.2177 32.3199 178.4741 479 L 3.7535 7.6273 119.0694 58.1656 42.0791 177.3573 480 A 5.0281 7.7404 118.5399 51.2550 19.2040 176.9593 481 Q 4.4953 7.9382 119.6843 57.9979 30.5771 176.9043 482 E 4.3734 7.5926 114.7089 57.7463 30.6160 176.2665 483 N 4.4951 7.7120 118.6173 52.7081 37.6957 176.1410 *485 D 4.5696 7.8888 118.4864 55.1985 43.1786 177.4350 486 L 4.2811 7.7945 118.8273 55.9520 42.2335 176.8959 487 F 5.3615 7.8499 114.7116 58.2776 41.5085 177.2152 488 K 4.0744 8.2206 121.4894 59.3619 31.9804 178.5092 489 E 4.1088 8.2957 117.8968 59.3224 29.7758 178.4417 490 Q 4.0332 8.3809 120.1052 58.8764 28.8881 178.4272 491 W 4.1726 8.3062 128.9835 60.7639 30.7662 177.7997 492 E 4.0158 8.2372 118.0919 59.5298 28.8903 179.5313 493 K 4.0547 8.4345 118.3322 58.7752 32.1006 178.8678 494 Q 4.0007 7.9595 119.7452 58.2477 28.9233 178.2535 495 V 3.2363 7.6651 120.0240 66.0383 31.6384 178.2101 496 R 3.9976 7.5488 117.7202 59.2182 29.8529 179.2691 497 V 3.6880 7.5954 117.7215 65.6681 31.3780 177.8958 498 L 3.8630 7.5949 119.7000 58.4404 42.0837 178.6537 499 T 3.8376 8.3314 115.9432 67.0079 68.3823 176.1100 500 D 4.2946 8.6440 120.3668 57.4954 40.7355 178.5377 501 A 4.1568 7.8052 119.7094 55.3725 18.5647 179.6223 502 V 3.7005 8.0717 116.7576 66.1923 31.6706 177.8831 503 D 4.4172 8.1977 118.6609 57.7053 40.4552 178.5698 504 D 4.7254 8.2919 118.5500 56.4856 40.8458 177.9268 505 I 4.3726 7.3912 110.6659 60.8997 38.0098 176.6680 506 T 4.1985 7.7979 118.4084 66.1388 69.0294 175.6815 507 S 4.7002 7.5185 114.4097 55.9295 67.0854 174.7759 508 I 3.8092 8.4728 123.1070 64.1638 37.7111 177.8228 509 D 4.3332 8.1182 118.6399 57.3958 41.1588 177.5987 510 D 4.3605 8.5065 119.7713 57.5445 40.8778 178.5254 511 F 4.3286 8.3454 120.8821 61.6305 39.2937 177.1933 512 L 3.7040 8.1382 118.0760 57.2852 41.2411 179.2609 513 A 3.9630 8.0166 121.1079 54.9666 18.2876 179.8617 514 V 3.4168 8.3291 117.1637 65.9961 31.4982 178.5369 515 S 3.9669 7.6050 115.1661 61.1588 62.3861 176.4759 516 E 3.9721 8.0382 121.4428 59.4535 29.1756 178.8898 517 N 4.3092 7.7435 116.4684 56.9805 38.6535 177.2573 518 H 4.3259 7.9569 116.8784 58.5902 28.7418 178.1315 519 I 3.6934 7.8931 121.9423 64.3453 37.0807 178.2070 520 L 3.9520 8.6474 121.6005 58.0416 41.8363 178.6109 521 E 3.9828 8.5395 119.6708 58.9852 29.3100 178.6103 522 D 4.3203 7.8342 118.3742 57.3469 41.2993 178.2429 523 V 3.8469 8.2675 118.9518 66.3676 31.3347 177.4126 524 N 4.2968 8.0685 115.6499 56.4674 38.3904 177.0333 525 K 4.1779 7.9960 117.5676 58.0326 32.5860 177.3289 526 C 4.4047 8.4540 118.9781 62.6311 32.0051 175.1801 527 V 3.4882 8.0001 119.3042 66.1710 30.7043 177.7884 528 I 3.6518 7.3548 118.4490 64.4274 37.1824 177.6708 529 A 4.0236 8.0098 120.9001 55.1194 18.1548 178.7892 530 L 3.7287 7.6007 117.4026 58.4130 41.8152 179.7766 531 Q 4.0593 8.2538 116.0952 55.9788 28.7404 176.2819 532 E 4.4773 8.4972 114.8495 55.6198 33.0884 175.4866 533 K 4.3442 7.9156 115.1948 58.2724 30.8378 176.9283 534 D 4.6661 7.2579 118.8172 53.0676 37.3136 176.8290 535 V 3.7868 7.4149 115.9332 64.1689 32.1244 174.7716 536 D 4.7587 8.3475 116.5809 56.9233 42.0817 178.5465 537 G 3.6419 9.4161 107.1192 47.8270 0.0000 174.4944 538 L 3.9897 8.0126 122.4406 57.9537 42.0553 178.1561 539 D 4.4154 8.1514 118.1546 57.8006 40.9053 179.2032 540 R 3.8951 7.7685 119.3406 59.6653 30.1052 178.6635 541 T 3.9149 8.2812 109.3458 64.7800 68.6962 175.8882 542 A 4.3016 8.5934 124.2138 55.2717 18.2429 179.9393 543 G 3.5523 8.1615 103.3304 47.8162 0.0000 175.8868 544 A 3.7942 8.1087 123.1916 54.8524 18.2529 179.9411 545 I 3.6089 8.5940 119.1190 64.6746 37.2722 178.7777 546 R 4.0433 8.4022 119.3084 59.7152 29.8824 178.7065 547 G 3.6775 8.9978 106.3958 47.8940 0.0000 175.2665 548 R 3.9227 8.6207 120.3683 58.7083 30.3965 178.7758 549 A 3.9364 8.3693 120.5141 55.3090 18.3756 179.5385 550 A 4.0378 8.2340 119.0640 54.8714 18.3152 179.9749 551 R 3.8901 7.9693 117.7184 59.5829 30.2285 178.7162 552 V 4.0215 8.0332 118.1046 66.2354 31.4185 177.8411 553 I 3.6911 7.6633 118.9855 64.7218 36.9226 177.6348 554 H 4.0555 8.2346 118.7311 59.4508 29.7250 177.2533 555 V 3.4266 7.9976 119.9767 66.0420 31.0602 178.2107 556 V 3.6250 7.7754 116.7616 66.5549 31.4580 177.6260 557 T 3.8817 7.9663 114.6399 66.3667 68.3263 176.0160 558 S 4.5119 8.1149 119.0164 61.0008 63.5709 178.5522 559 E 4.1448 8.2179 123.4177 55.9678 28.9750 178.1778 *561 D 4.6410 8.1894 118.5962 54.0792 43.0438 177.7241 562 N 4.3606 8.2876 115.3089 55.1038 38.7612 174.7399 563 Y 4.5306 7.7752 114.8285 55.9116 40.0210 174.5329 564 E 4.1342 8.7037 122.7755 54.8669 30.0814 173.9982 565 P 4.2127 0.0000 0.0000 63.7645 31.9040 175.4026 566 G 4.0340 8.3739 112.3949 44.1263 0.0000 171.7618 567 V 3.4534 8.0744 116.4008 65.5506 30.7833 177.4441 568 Y 4.1319 7.7746 118.6580 60.4426 39.0997 178.4931 569 T 3.5694 8.1412 115.7349 67.0246 68.6313 175.9295 570 E 3.8888 8.3158 119.7777 59.3946 29.4778 179.5456 571 K 3.8222 8.1811 119.6321 59.6208 32.0212 178.9556 572 V 3.4153 7.4938 118.3376 65.9356 31.4872 177.7485 573 L 4.0526 8.0690 118.3022 56.9301 41.4314 178.9979 574 E 4.0316 8.1627 118.9247 58.8440 29.5655 178.8748 575 A 3.9494 7.7090 121.5000 55.1914 18.3752 179.8342 576 T 3.8358 7.5968 108.1773 64.7325 68.9746 177.0643 577 K 3.8830 7.8395 121.0224 59.2010 32.0823 179.0773 578 L 4.1125 8.0550 120.4734 57.9684 41.6595 178.8120 579 L 3.9347 7.5342 119.6901 57.7248 42.1036 178.4317 580 S 4.3992 8.0945 113.0926 60.5917 63.6539 175.5128 581 N 4.6597 8.6089 118.3198 54.0626 38.8072 175.1067 582 T 4.3921 7.5337 114.0921 65.2845 71.0176 176.3077 583 V 3.7843 8.0830 116.7869 63.8573 31.3234 175.6221 *585 P 4.3726 0.0000 0.0000 62.7065 33.6193 179.1115 586 R 3.8662 7.8843 117.0627 59.1821 29.7554 178.3886 587 F 4.0428 8.1267 119.2149 61.8928 39.5594 176.8515 588 T 3.9249 8.1056 114.3255 67.0655 68.3209 176.0181 589 E 4.3393 7.8833 120.8959 58.9355 29.2502 179.3212 590 Q 4.1586 7.8765 116.7586 57.7195 28.8142 178.1889 591 V 3.7472 7.8214 119.9935 65.3326 31.5569 177.7658 592 E 3.9864 8.0085 117.6875 59.1585 29.2634 178.7391 593 A 4.1749 8.1011 120.1272 54.0912 18.4305 179.5400 594 A 3.9596 7.3878 119.6435 55.4275 18.8607 180.2675 595 V 3.6733 7.7825 110.2852 63.6442 31.6154 178.5703 596 E 3.8659 7.9174 119.4092 59.1449 29.3214 178.6103 597 A 4.0406 7.4220 119.2277 55.5615 18.6686 178.9086 598 L 3.9035 7.5971 115.7663 58.6575 41.7788 179.6154 599 S 4.2551 8.0174 115.0876 62.4247 62.9561 176.6679 600 S 4.1342 7.5375 116.4465 60.0764 63.1672 174.5372 *607 D 4.4365 7.2705 118.6874 52.7499 40.9182 176.0634 608 E 3.9444 8.6752 118.9143 59.6364 29.4680 178.1143 609 N 4.4133 8.2494 116.4079 56.6879 38.9219 176.2257 610 E 4.0097 8.1210 120.5472 58.9132 29.6145 178.6000 611 F 4.0081 8.0593 120.3720 61.4590 39.7558 176.9379 612 I 3.8087 8.7574 119.7636 64.8294 37.0200 178.1953 613 D 4.4761 8.3469 119.4008 57.1569 40.4426 178.6350 614 A 4.0508 7.5470 120.2163 55.0290 18.3399 179.6952 615 S 4.2316 8.5263 114.2423 61.8197 62.9177 176.8302 616 R 3.9389 8.5328 121.6931 59.1101 29.6917 178.2957 617 L 3.9097 7.8327 120.1003 57.9654 42.0906 178.9288 618 V 3.4154 7.3446 117.9186 66.2155 31.3340 177.1761 619 Y 3.9917 7.9397 118.4970 60.9575 38.5439 177.7299 620 D 4.1749 8.4048 119.9887 57.1214 40.8462 178.9731 621 G 3.5521 8.4784 106.4947 47.8264 0.0000 175.7205 622 I 3.5565 7.4758 122.4441 64.0839 37.0514 178.5359 623 R 4.0204 7.5418 120.8394 58.8585 29.7597 178.3185 624 D 4.2542 8.2817 119.1804 57.1271 40.7346 178.6883 625 I 3.5767 7.6847 120.3691 64.2974 37.0205 178.1826 626 R 3.8082 8.0765 119.7346 59.6074 29.6869 178.4103 627 K 3.8827 8.0448 117.6460 59.2493 32.1200 178.3778 628 A 4.0636 7.6458 120.5375 55.1314 18.4931 179.6380 629 V 3.5432 7.9188 115.3530 65.2258 31.5575 176.4347 630 L 4.4129 7.4187 122.9137 55.0162 41.8116 176.1024 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 393 S 8.33 4.27 0.00 3.29 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 0.00 394 F 7.64 4.93 0.00 3.13 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 0.00 395 L 9.47 4.03 0.00 1.65 1.73 0.94 0.99 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 0.00 396 E 7.98 4.36 0.00 2.01 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 2.32 2.32 0.00 397 T 8.15 4.62 4.41 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 1.27 0.00 0.00 398 N 8.73 4.72 0.00 2.83 2.90 0.00 0.00 6.62 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 0.00 399 V 7.85 3.54 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 1.09 0.00 0.00 1.00 0.00 0.00 400 P 0.00 4.31 0.00 2.26 2.26 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 401 L 7.99 3.97 0.00 1.97 1.94 0.66 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 402 L 8.00 3.88 0.00 1.77 1.71 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 403 V 7.69 2.94 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 0.72 0.00 0.00 0.98 0.00 0.00 404 L 7.27 4.00 0.00 1.94 1.62 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 405 I 8.27 3.59 1.90 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 1.31 1.08 0.87 0.00 0.00 406 E 8.66 4.51 0.00 1.83 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 2.26 2.27 0.00 407 A 8.30 4.49 1.11 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 0.00 408 A 7.69 4.13 1.28 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 0.00 0.00 409 K 8.03 4.04 0.00 1.73 1.81 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.51 7.81 410 N 7.50 4.96 0.00 2.85 2.75 0.00 0.00 6.93 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 0.00 411 G 7.87 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 0.00 0.00 0.00 0.00 412 N 7.71 4.61 0.00 2.79 2.73 0.00 0.00 7.22 7.60 0.00 0.00 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 8.60 3.95 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 414 K 8.17 3.86 0.00 2.05 1.91 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 415 E 9.49 4.11 0.00 2.11 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 2.53 2.48 0.00 416 V 8.05 3.51 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 0.79 0.00 0.00 0.95 0.00 0.00 417 K 8.79 4.08 0.00 1.89 1.86 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 418 E 8.57 3.93 0.00 2.15 2.33 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 1.81 2.19 0.00 419 Y 8.48 4.39 0.00 3.03 2.99 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 0.00 420 A 7.83 4.23 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 0.00 421 Q 7.98 3.88 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 422 V 7.81 3.85 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 0.97 0.00 0.00 1.13 0.00 0.00 423 F 7.94 4.06 0.00 3.09 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 0.00 424 R 7.75 3.82 0.00 2.23 2.01 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 425 E 8.38 3.94 0.00 2.19 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 2.33 2.57 0.00 426 H 9.01 4.22 0.00 3.19 3.39 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 427 A 8.00 4.03 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 0.00 428 N 8.25 4.34 0.00 2.92 2.87 0.00 0.00 6.96 6.75 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 0.00 429 K 8.08 3.99 0.00 1.96 1.84 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 430 L 7.82 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0.00 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 0.00 507 S 7.52 4.70 0.00 4.03 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 0.00 508 I 8.47 3.81 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.99 0.00 0.00 509 D 8.12 4.33 0.00 2.86 2.68 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 0.00 510 D 8.51 4.36 0.00 3.08 2.81 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 0.00 511 F 8.35 4.33 0.00 3.32 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 0.00 512 L 8.14 3.70 0.00 1.84 1.60 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 513 A 8.02 3.96 1.35 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 0.00 514 V 8.33 3.42 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 0.92 0.00 0.00 515 S 7.61 3.97 0.00 3.72 3.61 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 0.00 516 E 8.04 3.97 0.00 2.18 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 2.16 2.50 0.00 517 N 7.74 4.31 0.00 2.74 2.86 0.00 0.00 7.10 8.04 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 0.00 518 H 7.96 4.33 0.00 3.13 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 I 7.89 3.69 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.84 0.87 0.00 0.00 520 L 8.65 3.95 0.00 1.68 1.65 0.34 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 521 E 8.54 3.98 0.00 2.33 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 2.31 2.34 0.00 522 D 7.83 4.32 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 0.00 523 V 8.27 3.85 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 1.01 0.00 0.00 0.96 0.00 0.00 524 N 8.07 4.30 0.00 2.89 2.87 0.00 0.00 6.77 7.11 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 0.00 525 K 8.00 4.18 0.00 1.83 2.02 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 526 C 8.45 4.40 0.00 3.34 3.34 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 0.00 527 V 8.00 3.49 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 1.03 0.00 0.00 1.23 0.00 0.00 528 I 7.35 3.65 1.87 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 1.71 0.92 0.90 0.00 0.00 529 A 8.01 4.02 1.35 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 0.00 530 L 7.60 3.73 0.00 1.25 1.50 0.62 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 531 Q 8.25 4.06 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 532 E 8.50 4.48 0.00 2.06 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 2.19 2.25 0.00 533 K 7.92 4.34 0.00 1.93 1.84 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.32 7.81 534 D 7.26 4.67 0.00 2.54 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 0.00 535 V 7.41 3.79 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 0.87 0.00 0.00 0.93 0.00 0.00 536 D 8.35 4.76 0.00 2.73 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 0.00 537 G 9.42 3.64 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 0.00 0.00 0.00 538 L 8.01 3.99 0.00 1.83 1.59 0.88 1.20 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 0.00 539 D 8.15 4.42 0.00 2.87 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 0.00 540 R 7.77 3.90 0.00 1.97 2.14 0.00 3.11 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 541 T 8.28 3.91 4.33 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 1.26 0.00 0.00 542 A 8.59 4.30 1.48 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 0.00 0.00 0.00 543 G 8.16 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 0.00 544 A 8.11 3.79 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 0.00 545 I 8.59 3.61 2.14 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 0.88 0.35 0.00 0.00 546 R 8.40 4.04 0.00 2.02 2.04 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.14 0.00 547 G 9.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.47 2.44 0.00 591 V 7.82 3.75 2.05 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 1.02 0.00 0.00 0.37 0.00 0.00 592 E 8.01 3.99 0.00 2.03 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 0.00 2.39 2.58 0.00 593 A 8.10 4.17 1.43 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 0.00 0.00 594 A 7.39 3.96 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 0.00 595 V 7.78 3.67 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 0.99 0.00 0.00 1.00 0.00 0.00 596 E 7.92 3.87 0.00 2.34 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 2.36 0.00 597 A 7.42 4.04 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 0.00 598 L 7.60 3.90 0.00 1.61 1.68 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 599 S 8.02 4.26 0.00 4.02 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 0.00 600 S 7.54 4.13 0.00 3.93 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 *607 D 7.27 4.44 0.00 2.86 2.87 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 0.00 608 E 8.68 3.94 0.00 2.02 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 2.43 2.31 0.00 609 N 8.25 4.41 0.00 2.82 3.04 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 8.12 4.01 0.00 2.37 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 2.34 2.52 0.00 611 F 8.06 4.01 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 I 8.76 3.81 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 0.73 0.97 0.00 0.00 613 D 8.35 4.48 0.00 2.91 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 0.00 614 A 7.55 4.05 1.26 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 0.00 0.00 0.00 615 S 8.53 4.23 0.00 3.97 3.95 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 0.00 616 R 8.53 3.94 0.00 1.94 1.96 0.00 3.13 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 617 L 7.83 3.91 0.00 2.06 1.81 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 618 V 7.34 3.42 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 0.64 0.00 0.00 0.48 0.00 0.00 619 Y 7.94 3.99 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 D 8.40 4.17 0.00 3.01 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 0.00 621 G 8.48 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 7.48 3.56 1.77 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 1.50 0.84 0.74 0.00 0.00 623 R 7.54 4.02 0.00 1.21 1.74 0.00 3.12 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 624 D 8.28 4.25 0.00 2.80 2.62 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 0.00 625 I 7.68 3.58 1.97 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 1.34 0.75 0.86 0.00 0.00 626 R 8.08 3.81 0.00 1.76 2.00 0.00 3.03 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 627 K 8.04 3.88 0.00 1.80 1.78 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 628 A 7.65 4.06 1.29 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 0.00 0.00 629 V 7.92 3.54 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 0.91 0.00 0.00 0.87 0.00 0.00 630 L 7.42 4.41 0.00 1.77 1.57 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.