NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 400 F 4.8507 8.3249 119.3973 57.0849 40.9907 175.4602 401 L 4.2652 7.9912 119.6552 54.8598 41.9389 175.7238 402 G 3.8911 8.9585 106.9464 44.6621 0.0000 171.7212 403 D 4.6913 9.5483 118.9818 52.0842 41.8800 178.0547 404 G 3.7535 7.9665 109.5137 45.7491 0.0000 171.7148 405 G 3.9282 8.0112 110.1397 43.9672 0.0000 173.0971 406 D 4.3812 8.4615 119.2506 54.5162 40.9373 177.1307 407 V 4.6054 8.6547 124.4809 62.7746 32.5929 174.9394 408 S 4.4052 8.0927 118.3043 57.5299 66.1558 172.8642 409 F 5.3044 8.5587 119.7238 55.9679 40.7747 175.4094 410 S 4.7764 8.5013 116.0134 56.9855 65.9757 175.4149 411 T 4.0080 8.5022 111.6041 64.5898 68.8156 175.7705 412 R 3.9370 7.5582 122.0399 58.2129 30.4499 175.8363 413 G 4.3953 7.5762 103.3334 42.9338 0.0000 172.4870 414 T 4.2171 8.2225 117.3943 63.3017 68.3423 174.4300 415 Q 4.1749 9.0626 127.7164 57.3187 29.0886 177.2568 416 N 4.2657 9.1000 118.6665 53.3987 35.6650 173.7448 417 W 4.5883 7.8535 127.8743 56.1246 31.0987 175.7664 418 T 4.5551 7.4322 116.5635 59.7718 72.0267 175.3855 419 V 3.4905 8.0505 120.7845 65.6553 31.3887 178.1550 420 E 3.9162 7.8658 118.2774 59.3182 29.4270 178.8010 421 R 3.6348 7.4348 118.5705 58.7675 29.9247 178.2398 422 L 3.7198 7.4133 120.4826 58.1293 42.2436 178.8056 423 L 3.9730 7.6739 118.8258 57.9214 41.5548 179.4308 424 Q 3.8659 7.7745 119.0115 59.2302 29.2446 177.7834 425 A 4.0435 7.9040 121.7923 55.7727 18.3824 179.1032 426 H 4.1111 8.7247 117.1259 59.2620 29.9351 177.7551 427 R 3.9586 7.8896 117.6527 59.2812 28.9042 178.8136 428 Q 3.9900 8.2034 118.7870 58.7068 28.7637 178.8246 429 L 4.0306 7.7246 119.4811 58.0088 41.6144 179.5691 430 E 4.2484 8.2587 118.2820 59.3025 29.1338 178.9645 431 E 4.2500 8.0502 117.3063 57.9480 29.5556 178.2461 432 R 4.7017 7.3456 115.8755 55.5097 31.0173 176.6145 433 G 3.8686 7.8383 106.1028 46.1194 0.0000 173.0816 434 Y 4.7099 7.9784 116.5617 56.9005 39.3720 175.5680 435 V 4.7221 9.4734 116.4501 59.3376 35.7853 174.7972 436 F 3.9512 8.8380 126.8404 58.1929 39.5364 175.1323 437 V 4.0844 9.0206 117.4653 60.2848 33.5753 175.8578 438 G 3.7112 5.3800 108.2483 44.6852 0.0000 170.5666 439 Y 5.2523 8.3971 117.3273 56.5322 41.0944 175.0168 440 H 4.9351 9.3196 121.6917 54.4401 32.7732 172.2683 441 G 4.4035 8.4419 113.3069 45.3670 0.0000 172.2318 442 T 4.8059 8.8392 118.7033 61.0018 71.6856 172.5453 443 F 4.8186 8.4834 116.9061 55.7188 39.5273 176.2774 444 L 3.8874 8.9184 122.2081 58.1863 41.5445 179.4177 445 E 4.2748 8.3602 113.6209 57.3201 30.4747 178.0680 446 A 3.7636 7.3804 122.3068 54.4757 18.4271 179.3824 447 A 3.5277 7.2489 118.8142 55.1943 18.4477 179.2817 448 Q 4.2384 7.3451 117.5400 59.5165 29.0619 178.7202 449 S 4.1099 7.8427 113.5258 61.4947 62.3725 176.2395 450 I 3.6399 7.8897 122.7891 64.4582 36.6445 178.7269 451 V 3.4228 7.8372 118.1928 65.1536 31.3769 177.1480 452 F 4.9786 8.0515 115.5502 57.7664 40.2002 176.8135 453 G 3.8462 8.6157 106.6302 45.1553 0.0000 174.6697 454 G 3.9113 7.5073 105.8484 44.5887 0.0000 173.5678 455 V 3.5816 8.3162 122.3662 63.0594 31.4802 175.9734 456 R 4.8028 8.2029 124.9438 54.0888 32.8905 171.6018 457 A 2.7629 7.8927 125.2852 50.0914 19.2248 177.3631 458 R 4.1479 7.4080 118.2590 55.7068 31.0579 176.9771 459 S 4.3171 8.4015 114.0983 58.5743 62.5193 173.4395 460 Q 4.4659 7.6423 119.2588 55.2659 31.5646 174.0885 461 D 4.4333 8.5217 118.4161 55.5123 38.2865 175.6481 462 L 4.0902 7.7927 117.4729 57.1777 42.3331 178.4632 463 D 4.7507 7.9101 115.6313 53.5124 41.1674 175.9399 464 A 4.0786 7.8417 124.1301 52.3676 18.7636 178.5978 465 I 3.4994 8.6931 124.8716 64.4385 37.1288 177.1604 466 W 4.8168 7.9976 116.2856 56.2277 29.0781 176.5581 467 R 4.2200 7.8711 116.0508 56.0203 29.2705 176.1930 468 G 3.2771 7.8283 106.7178 46.2813 0.0000 171.0781 469 F 4.5846 7.2241 122.2877 56.4539 40.8537 174.3990 470 Y 4.7610 8.2987 124.6583 57.3860 38.8056 174.8275 471 I 4.8663 9.0546 116.5046 59.4649 42.2723 173.6039 472 A 4.8829 9.2568 123.4044 50.2045 22.0299 177.8523 473 G 3.6397 9.0794 110.7044 48.3515 0.0000 174.0756 474 D 4.6401 8.1005 120.5643 52.7209 42.1288 175.1212 475 P 3.9985 0.0000 0.0000 65.2746 31.0933 178.2687 476 A 3.8975 7.7475 120.1893 55.0051 18.5100 178.9720 477 L 4.0556 8.0795 118.0468 58.4599 42.3389 178.8528 478 A 4.2559 8.0634 120.1491 55.4275 18.1736 178.7752 479 Y 4.2749 8.9039 118.5256 60.5820 38.5048 178.4640 480 G 3.4081 8.3445 106.1043 45.7919 0.0000 172.7419 481 Y 4.7907 7.5429 118.5278 56.2829 40.8049 175.3682 482 A 4.4039 8.1562 126.7568 51.5526 22.2933 175.7383 483 Q 3.8597 8.2209 118.9514 58.5329 29.3511 177.7702 484 D 4.6566 8.3721 125.4396 54.8390 40.0615 175.0128 485 Q 4.3081 7.5258 119.4155 55.3589 25.4911 181.5430 486 E 4.0328 8.1140 118.8716 57.3760 30.8678 177.4942 487 P 4.3643 0.0000 0.0000 65.8085 31.7672 176.8486 488 D 4.0729 7.3822 112.5315 57.3089 40.4684 175.7295 *490 R 4.1306 7.7380 115.6415 55.2660 31.0490 181.9550 491 G 4.1075 7.7765 104.2120 46.8511 0.0000 175.0386 492 R 4.2452 7.2949 117.0393 55.9530 30.8224 176.0590 493 I 4.7358 7.8819 120.0874 60.0084 40.5427 175.4133 494 R 4.6108 8.6171 125.8978 54.9513 32.4284 175.1355 495 N 4.6255 8.6863 118.2136 52.4939 38.4082 175.8866 496 G 4.2469 8.4118 110.6456 44.9623 0.0000 172.2369 497 A 4.8561 9.1025 123.2012 50.1543 23.0745 175.4926 498 L 5.0781 8.5249 119.9687 53.4609 43.9824 175.7442 499 L 5.1598 8.9524 122.2126 53.0605 46.4373 175.3950 500 R 4.8448 9.1868 120.5207 54.6751 32.6677 175.3858 501 V 4.7639 8.4229 123.5826 61.3649 33.9891 173.8486 502 Y 5.3302 9.0856 125.1916 56.5787 41.1545 175.1804 503 V 5.0269 9.0850 114.9447 58.6920 36.7050 173.5488 504 P 3.9276 0.0000 0.0000 62.3678 31.5449 178.0251 505 R 3.7888 8.9473 123.1312 59.0141 30.1216 178.2828 506 S 4.3206 7.8023 110.6277 59.5189 63.6440 174.8423 507 S 4.4272 8.0588 116.0320 59.3452 63.8282 175.9635 508 L 3.5368 7.4898 122.0510 57.3608 41.3901 176.9752 509 P 4.4219 0.0000 0.0000 63.7760 31.7696 176.6691 510 G 3.8381 8.4270 108.4623 45.4596 0.0000 172.7592 511 F 4.4081 7.5965 119.3063 56.1583 39.6585 175.0461 512 Y 4.9007 8.5199 121.2415 56.0809 41.5909 174.7135 513 R 5.2394 8.6747 120.2297 55.0890 33.0916 174.2020 514 T 4.9296 9.6393 120.4081 60.5295 70.9615 174.4423 515 S 4.4380 8.8331 119.5900 59.2575 63.9726 174.5773 516 L 4.2170 7.6244 120.6910 54.8195 42.0737 176.1310 517 T 4.5468 7.9862 116.6675 61.5775 68.6585 175.4545 518 L 3.4880 8.2624 126.0022 55.5093 42.2198 176.5704 519 A 2.0000 5.8000 120.7222 52.2994 16.1811 177.0646 520 A 4.6990 6.4256 121.1744 50.9568 22.1328 176.3575 521 P 4.3952 0.0000 0.0000 66.5711 31.6533 179.3986 522 E 4.0135 8.3339 111.9319 58.8571 29.9485 180.3220 523 A 4.3036 8.0995 120.1066 54.1406 18.2764 179.2878 524 A 4.0236 8.2020 120.3203 55.5177 18.4242 180.0543 525 G 3.5970 8.0845 103.1917 47.5932 0.0000 175.2936 526 E 3.8780 8.0888 121.0293 59.2956 29.8490 178.8601 527 V 3.5505 7.8472 118.2348 66.1325 31.2038 177.8449 528 E 4.0366 8.1108 118.1139 59.0257 28.9553 179.1098 529 R 4.0058 7.3690 117.8295 58.5479 30.2072 178.3065 530 L 3.8800 7.4332 118.2960 57.8144 41.8384 179.2992 531 I 3.3227 7.3997 118.3222 62.1811 36.9223 177.5247 532 G 3.8646 8.7875 105.8782 45.1946 0.0000 172.2009 533 H 4.5576 7.0644 112.2725 53.7786 30.6625 171.7919 534 P 4.4159 0.0000 0.0000 62.1525 31.6944 176.8019 535 L 4.0068 8.3898 121.6494 53.8755 42.0230 175.4781 536 P 4.5371 0.0000 0.0000 61.6687 32.3437 176.0730 537 L 4.3226 8.1384 118.5742 55.2810 43.9777 176.4496 538 R 4.4404 9.9732 118.8866 56.8401 30.3329 177.3400 539 L 4.8200 9.0000 122.4503 56.2747 42.5387 175.0896 540 D 5.1436 7.7212 116.5981 52.6963 46.1229 174.8176 541 A 4.7403 8.1477 118.9227 50.4968 23.0145 175.1181 542 I 4.9767 8.2955 119.2120 59.4837 41.8416 174.1426 543 T 5.0839 9.1005 125.8714 61.9813 71.5179 173.4687 544 G 4.5229 8.5762 111.6833 44.3897 0.0000 170.7575 545 P 5.1981 0.0000 0.0000 62.2265 32.4477 175.8246 *551 R 4.0820 8.3356 118.5241 55.9837 31.2401 175.0083 552 L 4.6780 8.4056 121.6133 54.3919 42.7908 176.1222 553 E 4.9545 8.9775 120.6764 54.8090 33.5205 174.7122 554 T 5.3354 8.8503 116.9625 60.8660 72.4983 173.0066 555 I 4.3411 7.9396 124.9392 59.2415 40.7061 174.1443 556 L 4.6075 8.2119 126.8574 52.3834 44.0311 176.4930 557 G 4.1389 8.8507 111.0969 45.5988 0.0000 174.4621 558 W 4.6032 8.9953 122.5522 59.4775 28.9140 177.1286 559 P 4.3292 0.0000 0.0000 65.2562 31.0435 178.1553 560 L 4.1054 7.8379 118.5048 57.9255 42.3331 178.2377 561 A 3.8828 8.4126 121.0521 55.4605 18.0732 179.2762 562 E 4.8544 8.5036 116.1678 57.7383 29.4753 178.0094 563 R 4.5772 7.5664 117.2535 55.9591 30.6276 175.8747 564 T 4.6135 7.4750 108.8688 61.0637 70.8483 173.9919 565 V 3.9617 8.3034 121.7157 60.9007 33.6223 174.1754 566 V 5.0256 8.2772 128.0249 61.0865 33.4009 174.4821 567 I 4.6168 8.3471 120.2850 58.0335 41.1078 173.3057 568 P 4.4459 0.0000 0.0000 62.9396 31.7067 175.8930 569 S 5.0017 8.3328 116.4364 57.4725 63.7814 173.9160 570 A 4.7417 9.4095 125.5913 52.4871 19.4232 177.6557 571 I 4.0648 7.7545 118.1877 59.9733 37.1889 174.3241 572 P 4.7436 0.0000 0.0000 62.2038 32.5267 175.5187 573 T 4.8052 8.2775 109.3177 60.4556 70.8765 173.3884 574 D 5.0058 8.7490 122.8311 52.2467 43.0143 175.6138 575 P 4.4464 0.0000 0.0000 65.6856 31.8960 178.4344 576 R 4.4715 7.9239 114.1439 56.3981 30.2217 178.7672 577 N 4.4968 8.1784 113.7049 52.6571 39.8777 175.1307 578 V 3.1984 5.4500 115.9692 64.0198 30.6880 166.0342 579 G 3.7086 7.9630 113.6230 46.4116 0.0000 172.2411 580 G 4.3543 8.1455 118.5895 45.2101 0.0000 174.4229 581 D 4.4999 8.4829 124.7298 53.9461 38.4536 174.1028 582 L 3.0785 7.7868 124.7064 54.0351 42.7936 176.1410 583 D 4.3396 8.2254 125.4488 53.4499 40.7255 174.3033 584 P 4.1600 0.0000 0.0000 65.6976 31.4236 178.3873 585 S 4.4186 8.1408 109.7150 59.1682 63.1777 174.4837 586 S 4.4467 8.3164 115.5907 58.5691 63.5451 174.1855 587 I 4.0497 7.2108 123.4800 59.8564 37.0778 174.6393 588 P 4.3687 0.0000 0.0000 62.8339 33.1265 176.9633 589 D 4.4392 8.6455 119.9061 56.6703 41.0833 178.7737 590 K 3.9008 7.9604 118.3119 59.6012 32.4421 178.3082 591 E 4.0395 8.1207 118.9030 59.0136 29.2884 178.2857 592 Q 4.0090 8.0425 119.6603 58.8161 28.8894 177.2528 593 A 4.3409 7.7990 118.8809 52.7837 18.7414 177.5226 594 I 4.1991 7.4755 117.2250 61.2792 38.9027 176.3356 595 S 3.9790 7.3370 115.4457 57.9253 63.1370 174.0820 596 A 4.3398 7.9184 122.8109 51.8361 19.1031 178.0006 597 L 4.6255 8.1414 121.1070 52.6565 43.6796 174.7974 598 P 4.4322 0.0000 0.0000 62.4607 32.5130 176.0118 599 D 4.4611 7.9425 117.7512 52.2071 41.2426 174.7511 600 Y 4.6496 7.9741 117.1442 58.4726 38.7703 175.6780 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 400 F 8.32 4.85 0.00 3.08 3.05 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 0.00 401 L 7.99 4.27 0.00 1.92 2.11 1.01 0.66 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 0.00 402 G 8.96 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 0.00 403 D 9.55 4.69 0.00 2.61 2.60 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 0.00 0.00 0.00 0.00 404 G 7.97 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 G 8.01 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 0.00 0.00 0.00 406 D 8.46 4.38 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 407 V 8.65 4.61 2.27 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 0.72 0.00 0.00 1.27 0.00 0.00 408 S 8.09 4.41 0.00 3.87 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 0.00 409 F 8.56 5.30 0.00 3.02 3.05 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 0.00 410 S 8.50 4.78 0.00 4.14 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 0.00 411 T 8.50 4.01 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 1.37 0.00 0.00 412 R 7.56 3.94 0.00 1.66 2.05 0.00 3.30 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 413 G 7.58 4.40 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 0.00 414 T 8.22 4.22 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 0.86 0.00 0.00 415 Q 9.06 4.17 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 5.81 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 416 N 9.10 4.27 0.00 2.97 3.08 0.00 0.00 6.89 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 0.00 417 W 7.85 4.59 0.00 3.35 3.04 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 0.00 418 T 7.43 4.56 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 1.16 0.00 0.00 419 V 8.05 3.49 2.04 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 1.04 0.00 0.00 0.95 0.00 0.00 420 E 7.87 3.92 0.00 1.98 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 2.34 2.36 0.00 421 R 7.43 3.63 0.00 1.54 1.13 0.00 2.97 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.38 0.00 422 L 7.41 3.72 0.00 1.65 1.65 1.35 1.05 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 0.00 423 L 7.67 3.97 0.00 2.00 1.68 0.98 0.73 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 0.00 424 Q 7.77 3.87 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 425 A 7.90 4.04 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 0.00 0.00 0.00 0.00 0.00 426 H 8.72 4.11 0.00 3.39 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 427 R 7.89 3.96 0.00 2.13 2.30 0.00 2.84 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 428 Q 8.20 3.99 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 429 L 7.72 4.03 0.00 1.60 1.49 -0.03 0.18 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 0.00 430 E 8.26 4.25 0.00 2.20 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 2.37 2.26 0.00 431 E 8.05 4.25 0.00 2.15 2.03 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 2.36 2.64 0.00 432 R 7.35 4.70 0.00 1.97 2.10 0.00 3.47 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 433 G 7.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 Y 7.98 4.71 0.00 3.04 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 0.00 435 V 9.47 4.72 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 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0.00 0.00 511 F 7.60 4.41 0.00 2.71 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 0.00 0.00 0.00 512 Y 8.52 4.90 0.00 2.87 2.85 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 0.00 513 R 8.67 5.24 0.00 1.97 1.89 0.00 3.34 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 514 T 9.64 4.93 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 0.00 515 S 8.83 4.44 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 L 7.62 4.22 0.00 1.69 1.67 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 517 T 7.99 4.55 4.18 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 1.13 0.00 0.00 518 L 8.26 3.49 0.00 1.59 1.25 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 519 A 5.80 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 A 6.43 4.70 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 0.00 521 P 0.00 4.40 0.00 2.24 2.21 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 522 E 8.33 4.01 0.00 1.98 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 2.23 1.88 0.00 523 A 8.10 4.30 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 A 8.20 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 G 8.08 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 E 8.09 3.88 0.00 2.11 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 2.41 2.45 0.00 527 V 7.85 3.55 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 0.89 0.00 0.00 1.20 0.00 0.00 528 E 8.11 4.04 0.00 2.11 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 2.12 2.38 0.00 529 R 7.37 4.01 0.00 1.89 2.06 0.00 3.24 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 530 L 7.43 3.88 0.00 1.53 1.15 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 531 I 7.40 3.32 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.40 0.54 0.00 0.00 532 G 8.79 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 0.00 0.00 0.00 533 H 7.06 4.56 0.00 3.15 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 P 0.00 4.42 0.00 2.03 1.96 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 535 L 8.39 4.01 0.00 1.33 1.41 0.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 536 P 0.00 4.54 0.00 2.18 2.29 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 537 L 8.14 4.32 0.00 1.56 1.58 0.82 0.72 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 0.00 538 R 9.97 4.44 0.00 1.70 1.30 0.00 2.69 0.00 0.00 3.02 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 539 L 9.00 4.82 0.00 1.63 1.68 0.92 0.92 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 0.00 540 D 7.72 5.14 0.00 2.63 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 0.00 541 A 8.15 4.74 0.04 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 0.00 542 I 8.30 4.98 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.96 0.00 0.00 543 T 9.10 5.08 4.45 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 1.34 0.00 0.00 544 G 8.58 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 0.00 0.00 0.00 0.00 545 P 0.00 5.20 0.00 2.12 2.20 0.00 4.15 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 2.04 0.00 *551 R 8.34 4.08 0.00 1.94 1.96 0.00 3.14 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 552 L 8.41 4.68 0.00 1.68 1.66 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 553 E 8.98 4.95 0.00 2.08 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 2.22 2.33 0.00 554 T 8.85 5.34 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 1.07 0.00 0.00 555 I 7.94 4.34 1.54 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 0.31 0.41 0.19 0.00 0.00 556 L 8.21 4.61 0.00 1.35 1.36 0.96 0.61 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 0.00 557 G 8.85 4.14 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 0.00 558 W 9.00 4.60 0.00 3.42 3.19 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 0.00 559 P 0.00 4.33 0.00 2.17 2.14 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 560 L 7.84 4.11 0.00 1.71 1.73 0.97 0.94 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 0.00 561 A 8.41 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 E 8.50 4.85 0.00 2.02 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 0.00 2.63 2.70 0.00 563 R 7.57 4.58 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 564 T 7.47 4.61 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 1.31 0.00 0.00 565 V 8.30 3.96 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 -0.58 0.00 0.00 -0.50 0.00 0.00 566 V 8.28 5.03 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 0.94 0.00 0.00 0.94 0.00 0.00 567 I 8.35 4.62 1.91 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.93 0.00 0.00 568 P 0.00 4.45 0.00 0.49 1.50 0.00 2.35 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.81 0.00 569 S 8.33 5.00 0.00 4.21 4.09 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 0.00 570 A 9.41 4.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 I 7.75 4.06 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.92 0.00 0.00 572 P 0.00 4.74 0.00 2.26 2.14 0.00 3.90 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 573 T 8.28 4.81 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 1.26 0.00 0.00 574 D 8.75 5.01 0.00 2.83 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 0.00 575 P 0.00 4.45 0.00 2.25 2.09 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 576 R 7.92 4.47 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 577 N 8.18 4.50 0.00 2.91 2.70 0.00 0.00 7.30 7.59 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 0.00 578 V 5.45 3.20 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 0.71 0.00 0.00 1.00 0.00 0.00 579 G 7.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 G 8.15 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 0.00 0.00 0.00 581 D 8.48 4.50 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 L 7.79 3.08 0.00 0.77 1.26 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 583 D 8.23 4.34 0.00 2.70 2.47 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 0.00 584 P 0.00 4.16 0.00 2.17 2.07 0.00 3.58 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 585 S 8.14 4.42 0.00 3.96 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 0.00 586 S 8.32 4.45 0.00 3.94 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 0.00 587 I 7.21 4.05 1.85 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 1.23 0.47 0.98 0.00 0.00 588 P 0.00 4.37 0.00 2.18 1.99 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 589 D 8.65 4.44 0.00 2.78 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 0.00 590 K 7.96 3.90 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 591 E 8.12 4.04 0.00 2.07 2.12 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 2.43 2.34 0.00 592 Q 8.04 4.01 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 593 A 7.80 4.34 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 0.00 594 I 7.48 4.20 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.43 0.00 0.00 595 S 7.34 3.98 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 A 7.92 4.34 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 0.00 597 L 8.14 4.63 0.00 1.57 1.48 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 598 P 0.00 4.43 0.00 1.98 1.90 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 599 D 7.94 4.46 0.00 2.69 2.44 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 0.00 600 Y 7.97 4.65 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.