NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 311 S 4.5135 8.3349 117.1035 58.8377 64.7954 173.9862 312 N 3.8096 7.6368 127.9012 53.8048 38.2258 175.1859 313 A 4.6427 8.4653 132.5488 52.5823 23.9828 175.2547 314 G 4.6033 6.8800 109.2194 46.0246 0.0000 175.7727 *316 T 4.2588 8.2011 122.7100 62.2443 69.9817 173.4630 317 G 3.7678 7.5997 112.1936 46.3464 0.0000 170.9570 318 F 5.3690 7.6563 121.5197 55.8693 40.9743 176.1064 319 V 4.2870 8.9245 124.6781 61.3320 33.0707 175.0344 320 I 4.6866 8.3516 124.1645 59.6555 39.1943 175.6310 321 N 4.5269 9.0444 126.9302 52.8589 37.3853 175.2646 322 T 4.5714 8.2484 114.1339 62.6042 69.4220 176.3260 323 R 4.0327 8.0377 121.3711 58.2982 30.5617 176.6638 324 R 4.5110 7.7626 117.6652 53.8552 31.4044 175.7838 325 A 4.7625 8.8080 125.8793 51.4794 19.1660 174.9890 326 P 4.7349 0.0000 0.0000 62.7531 31.7202 177.3990 327 F 4.4621 7.6127 117.9007 59.4835 38.9204 175.9318 328 D 4.5714 8.1239 120.1546 54.5084 39.8886 175.0459 329 D 4.8166 8.1585 121.4675 52.7835 41.9141 176.3604 330 W 4.3285 8.9472 126.0187 59.9298 27.8604 178.3560 331 R 3.0463 7.2268 118.8083 58.5393 29.3718 178.6788 332 L 3.8186 7.5983 119.7192 58.1270 42.0874 178.9910 333 R 4.0071 7.9669 118.0940 59.2608 30.0105 178.6265 334 E 3.8529 8.4718 119.1850 59.0661 29.5001 178.6773 335 A 4.0148 7.7940 120.7869 55.2647 18.2533 179.5225 336 L 4.1491 7.8084 116.1379 58.0616 42.1344 179.5881 337 L 4.2687 8.3761 119.1166 57.8801 41.3980 179.3906 338 L 4.1180 8.4068 117.8808 57.8743 41.6869 179.0638 339 A 4.5586 8.3267 118.7866 52.7390 18.5928 177.6513 340 F 4.4151 7.8341 119.3042 56.5048 41.3391 175.8310 341 N 4.6781 7.9799 127.0618 51.8178 36.3323 174.1598 342 F 4.1271 8.3815 126.8587 61.0826 39.8638 175.8885 343 E 3.8620 8.3696 117.4073 59.4742 29.3306 179.0456 344 F 4.1710 8.3697 120.3890 61.1870 39.4146 177.3267 345 I 3.4223 7.7433 119.4934 64.1884 36.8522 177.7598 346 N 3.6954 8.0270 118.1750 56.6638 38.2571 176.3737 347 D 4.2498 7.9063 120.2864 57.7212 40.6752 179.2014 348 T 3.6342 7.2391 114.7281 66.4588 68.4935 176.8226 349 V 3.7805 7.7759 119.3331 65.1494 31.7834 176.7135 350 T 4.1751 7.3326 104.8494 60.5620 69.0421 174.3076 351 G 3.6368 8.2822 109.0949 46.5150 0.0000 174.6612 352 G 3.7474 7.8344 104.3613 46.5527 0.0000 175.9709 353 V 3.7998 6.9823 113.1858 59.0790 30.2085 174.1041 *355 P 4.2779 0.0000 0.0000 62.2714 32.8258 177.1867 356 R 3.8410 8.1747 119.5465 55.6205 30.6280 176.1958 357 I 3.8197 7.7462 124.9474 61.6178 37.3266 176.2850 358 T 4.3114 7.8585 114.6780 61.7361 70.0573 173.7221 359 S 4.6310 7.2035 114.4084 58.0756 65.2717 174.6018 360 Y 3.8792 9.1211 117.2983 60.2516 37.3515 177.4777 361 F 4.8626 8.0929 117.7071 56.6968 39.8919 175.4452 362 S 4.0773 8.0877 114.6498 59.8251 63.1400 174.4009 363 G 3.9332 9.0004 109.8567 45.9747 0.0000 172.7372 364 T 4.7946 7.4567 108.5817 59.4096 71.9412 174.5544 365 D 4.5347 8.5933 120.5459 56.4447 40.9217 177.7373 366 L 4.0708 7.7951 117.9870 55.7414 42.0160 177.3095 367 A 4.5573 7.6322 122.2918 51.7702 18.8344 177.0739 368 Y 4.3614 8.8703 120.6434 57.0658 38.6167 176.3747 369 R 4.2112 8.4275 121.1104 54.7404 31.1789 175.0133 370 P 4.3424 0.0000 0.0000 63.4199 32.4605 176.4578 371 G 3.8492 8.5952 104.7763 44.2396 0.0000 172.3462 372 T 4.4520 8.1418 114.8691 63.4829 69.0033 174.6596 373 A 4.3898 8.7097 128.6245 52.2916 19.5605 176.7991 374 S 4.3518 8.3973 114.7591 57.4770 67.0011 174.4450 375 G 3.7777 8.8672 107.7506 46.7276 0.0000 176.0820 376 R 3.9145 8.5195 118.4096 59.2303 29.7583 178.3232 377 E 3.8982 8.1561 118.6625 59.1968 29.7190 178.4808 378 A 4.0169 7.9597 120.6143 55.1418 18.1942 179.3347 379 E 3.9252 7.8746 115.8777 59.6712 29.6301 179.3514 380 L 4.1912 7.9452 117.8505 57.7235 41.9304 179.0683 381 L 4.4479 7.9721 118.2353 56.7802 41.8111 178.7683 382 A 3.9852 8.3818 121.5694 55.0426 18.0641 177.8605 383 P 4.1709 0.0000 0.0000 64.4257 31.4455 177.6537 384 F 4.7721 7.8850 116.2121 57.2479 39.1265 177.1475 385 A 4.0113 7.9875 124.1236 55.3384 17.8092 180.4453 386 A 3.9803 8.0031 118.9475 54.8623 18.6504 177.7620 387 D 4.7293 8.2279 113.7280 54.3529 41.5157 176.6351 388 L 4.3367 7.2296 119.8070 52.8159 42.9824 175.0934 389 P 3.9609 0.0000 0.0000 61.6022 31.8916 174.3330 390 P 4.0472 0.0000 0.0000 64.2161 31.7301 177.0961 391 G 4.0360 8.7032 109.4782 45.5444 0.0000 175.5641 392 T 3.7178 7.3634 115.7266 66.7971 68.6735 175.7879 393 L 4.1899 7.7536 120.4207 57.3137 41.8271 179.1933 394 E 3.8431 8.0923 117.8980 57.6021 29.6683 175.9195 395 G 4.3971 7.7218 107.2197 46.8662 0.0000 172.0925 396 Y 4.4752 8.2307 125.9780 56.2405 40.1768 174.6845 397 A 4.5103 7.0006 127.0048 49.6984 22.4311 176.0122 398 L 4.0109 8.1856 120.3127 54.1826 42.3041 175.9074 399 P 4.3578 0.0000 0.0000 62.7553 31.8964 175.8699 400 Q 4.7186 8.4503 120.8556 53.8040 30.7812 176.0717 401 G 3.9420 8.6587 113.0485 45.3484 0.0000 172.6632 402 D 4.5662 8.5104 117.2987 53.3253 39.6719 177.6144 403 G 4.0047 8.4621 109.1667 45.4770 0.0000 173.7459 404 T 4.3893 7.7237 109.0291 59.8128 70.5914 174.8808 405 A 2.7601 8.2237 124.9362 55.0267 18.3874 179.5151 406 R 3.8708 7.7672 113.3103 57.3332 30.8066 176.2318 407 N 4.3408 8.3363 115.4202 53.9048 38.1983 175.7998 408 R 3.9040 8.2080 117.9195 59.9686 30.2257 176.9016 409 T 3.8774 7.8569 114.6090 66.9045 68.5318 176.3453 410 N 4.4598 8.1500 117.8292 56.1236 38.6768 177.3842 411 L 4.1009 8.1059 120.5926 57.8679 41.7146 179.7420 412 R 3.9768 8.3084 118.1735 59.2570 30.0120 179.2445 413 R 3.9754 8.3519 117.8011 59.2088 30.0672 178.8203 414 A 4.1731 8.6208 120.6980 55.3172 18.3429 179.3983 415 A 3.9473 8.1585 119.1676 55.3299 18.3571 179.4734 416 Q 3.8474 8.1531 117.9003 59.5958 29.1085 178.8381 417 F 3.9911 8.2539 118.5670 60.4420 38.9220 177.7204 418 L 4.0001 8.2684 118.8238 57.5766 41.3212 179.0879 419 E 4.2217 8.3426 120.7226 58.9989 29.4097 178.6118 420 Q 3.9819 7.9474 116.4408 59.1089 28.8836 178.4778 421 A 4.3758 7.7718 118.0743 52.1542 18.4785 178.0470 422 G 3.7616 8.2423 106.6000 45.6978 0.0000 174.0304 423 F 4.5912 8.2489 118.4630 56.9428 40.6637 175.0017 424 R 4.7564 9.1380 120.2707 54.4980 34.4519 174.4401 425 I 4.4964 8.4406 123.9654 60.7281 38.3194 175.0480 426 E 4.3582 9.0724 128.1618 54.9330 31.4535 175.3033 427 Q 3.1547 9.6977 129.5641 57.3186 27.2705 174.2811 428 G 3.9306 8.3942 102.8459 45.3791 0.0000 172.7966 429 Q 4.6159 7.7512 121.7255 53.8790 31.8220 174.0704 430 L 4.7765 8.7730 129.2776 54.6708 43.2931 175.1361 431 L 5.0838 9.2963 127.4202 52.9317 44.1915 177.2083 432 G 3.4259 9.4013 113.4090 43.8184 0.0000 172.7224 433 P 4.0787 0.0000 0.0000 65.2339 30.8962 176.8929 434 D 4.4065 7.8395 116.0873 53.2348 39.7829 177.1893 435 G 3.8348 8.6092 108.7964 45.3645 0.0000 173.6082 436 A 4.2666 8.1128 123.8463 50.6222 19.2726 175.6851 437 P 4.7130 0.0000 0.0000 62.3990 32.3772 175.8768 438 L 4.4108 8.9353 124.9678 54.6614 42.9929 175.2998 439 A 5.2576 8.5561 127.8552 50.1675 21.8050 174.7113 440 L 4.5256 8.8293 123.1972 53.7349 43.9994 176.2155 441 R 4.9453 8.8827 123.5862 55.0299 31.4745 175.3152 442 F 4.9206 8.9649 124.4075 56.2308 40.6651 174.8916 443 L 5.1214 8.8391 127.0286 53.8182 42.8337 175.5401 444 L 5.0283 9.0614 126.3751 52.6578 45.8845 176.3806 445 R 4.2611 7.9895 120.4913 56.1102 30.7335 177.6535 446 Q 3.9450 9.1265 123.3063 59.2620 28.8451 178.5433 447 G 3.7589 7.8677 103.0185 46.2017 0.0000 173.5600 448 D 4.6081 7.6490 122.3209 52.5728 39.8999 176.1876 449 S 4.4191 7.7304 116.9586 60.7426 63.7097 176.5265 450 D 4.2723 8.2132 118.7491 56.3082 41.2054 177.4796 *452 Q 4.3219 8.0808 116.8688 57.0954 30.8170 177.5430 453 T 3.9108 8.0017 114.4375 66.6042 68.4107 176.9246 454 V 3.6860 7.6522 120.1836 66.0600 31.5267 177.8881 455 L 4.1072 8.0676 119.6446 57.9667 41.7549 178.1335 456 E 3.9095 8.1453 118.6956 59.3667 29.9126 178.7793 457 I 3.9451 7.6455 119.7913 64.6076 37.2506 177.6855 458 Y 4.4178 8.2602 120.6789 61.0934 38.6274 178.3192 459 T 3.7385 8.3594 110.8260 64.4869 68.6525 176.6765 460 R 3.9182 7.9233 120.7530 59.1089 29.6650 178.7791 461 A 4.0202 7.9302 120.1058 55.0835 18.5370 179.4821 462 L 3.8854 7.7645 117.5509 57.9704 41.5717 179.4627 463 E 4.0663 8.5709 118.9360 59.5945 29.1703 179.4617 464 R 3.9064 7.5702 117.1833 58.9555 30.1742 177.5890 465 L 4.4254 7.3243 115.9104 54.3882 42.0091 177.4795 466 G 3.8927 8.3420 108.4232 45.4643 0.0000 172.6324 467 I 4.6452 7.5633 120.2460 59.8223 38.2490 175.7130 468 A 4.5156 8.6183 128.5027 51.3934 20.1967 175.9016 469 A 5.2020 8.4946 120.9479 50.2808 22.3958 176.0652 470 Q 4.5128 9.6143 121.3682 54.3303 30.6721 174.3783 471 I 4.6774 8.2807 125.1926 60.0710 38.6266 175.1013 472 E 4.5680 9.6660 129.1092 54.5085 31.6791 174.5761 473 K 5.0614 8.6850 127.2301 55.1847 33.5245 176.5337 474 V 4.7262 8.7870 118.3903 59.0919 36.0121 175.2719 475 D 5.0147 8.7640 121.9289 52.6321 40.6608 177.3433 476 N 4.3603 8.7513 116.0931 56.3351 38.4096 177.5125 477 A 4.0377 8.0371 121.7054 55.3764 18.5573 179.5684 478 Q 3.9987 8.9915 117.0328 59.1179 28.6575 178.4225 479 Y 3.9696 8.4073 120.8519 60.9133 38.8978 178.0171 480 T 3.8329 8.1786 116.4508 66.6504 68.5880 176.4010 481 A 3.9836 7.8965 122.2666 55.3084 18.3695 179.9484 482 R 3.8660 8.3040 117.0455 59.3733 30.1482 179.5630 483 V 3.5878 7.8067 118.0837 65.9100 31.4661 178.0004 484 A 4.0736 8.1245 120.5309 54.6797 17.9945 178.4351 485 E 4.3401 8.0049 114.3595 55.4489 29.9529 176.2683 486 L 3.6361 7.6881 117.9009 55.9166 39.8635 175.3201 487 D 4.5556 7.9900 119.7229 51.4461 39.5461 174.7723 488 F 4.7181 6.8930 115.1772 55.9227 40.6444 174.4347 489 D 4.3578 8.4902 120.7802 55.9085 41.8572 176.3412 490 L 5.7810 7.5410 116.8967 52.3438 46.0347 175.1861 491 T 5.1316 8.1825 114.4270 60.0660 70.9386 171.0579 492 P 4.9483 0.0000 0.0000 63.1603 32.3762 175.5866 493 F 4.9150 9.1937 124.2996 56.6933 43.2422 173.0766 494 R 4.5350 7.9432 124.8154 54.3139 33.0357 174.1772 495 R 4.0932 7.9272 125.1474 54.5180 33.1297 173.2802 496 D 4.8951 8.5291 126.6648 53.5976 42.1270 175.9850 497 L 5.0218 8.7607 122.6139 52.8186 45.3088 176.1182 498 S 4.5729 8.8896 116.6701 58.1762 63.2698 173.7325 499 L 4.6330 8.6531 124.0222 54.9643 42.2158 177.3399 500 S 4.8246 8.0514 112.6206 56.0474 62.5588 172.6146 501 P 4.7408 0.0000 0.0000 63.8108 33.0140 177.0487 502 G 3.9281 9.5411 111.8008 43.6905 0.0000 173.8440 503 N 4.1956 8.9282 117.3523 56.5029 38.8377 176.9616 504 E 3.6357 8.0575 118.5065 59.2079 29.3616 178.8949 505 Q 3.7242 8.0280 119.2603 58.9311 28.7162 179.0050 506 R 3.9480 7.8925 119.0684 59.1339 29.7957 179.0719 507 L 3.9705 7.2541 117.6678 57.6954 42.0863 178.5580 508 Y 4.1519 7.1283 116.8167 59.9159 37.4786 177.0926 509 W 5.2366 7.6731 114.2532 55.8954 32.2892 175.5757 510 G 3.9368 8.1489 109.1420 44.8661 0.0000 175.4367 511 S 4.1831 8.8996 116.0130 61.2421 63.3343 176.5881 512 H 4.1638 8.3085 117.5203 58.2131 28.8748 176.1892 513 S 5.1543 8.2355 111.3906 58.1553 63.6966 176.0348 514 A 3.9703 7.7404 124.3366 55.1323 18.1198 178.8053 515 G 3.7973 7.8741 102.1388 46.6411 0.0000 173.7749 516 Q 4.1997 7.8534 120.5993 54.5366 29.3661 173.9819 517 P 4.5019 0.0000 0.0000 64.0545 31.8619 176.9281 518 G 3.9639 8.8546 111.0835 45.2692 0.0000 173.9296 519 T 3.9462 7.2933 113.9461 62.4072 67.6814 174.3158 520 R 4.0806 8.4659 125.5245 58.4840 30.7929 177.1902 521 N 5.2597 7.9060 118.3111 51.6358 37.1361 176.4513 522 L 4.4125 7.7238 121.7085 54.2930 41.3653 177.9962 *524 G 3.7087 7.9721 103.2850 45.0347 0.0000 173.8848 525 A 3.7974 8.0692 122.6455 51.8050 18.7900 178.9870 526 A 4.4529 8.1325 125.5451 50.1737 20.0857 175.2314 527 S 4.6414 8.1429 114.3096 55.7862 66.5094 172.5496 528 P 4.2307 0.0000 0.0000 65.1833 30.8943 178.8866 529 A 2.7187 7.3109 118.7695 54.7159 18.3663 179.2807 530 I 3.6915 7.4419 116.3896 64.7318 37.5630 177.9475 531 D 4.5219 7.9546 119.3347 57.0295 40.5849 179.4720 532 A 4.1921 7.7926 120.9256 52.2083 18.1691 179.5374 *534 I 4.0515 7.7204 123.1666 63.1886 39.5587 177.0842 535 D 4.5462 8.1856 119.9114 57.7617 40.9382 180.3898 536 R 3.8337 8.2626 115.4510 56.8358 29.2989 178.5664 *538 L 4.2273 7.9389 119.5996 54.4158 43.4112 177.7058 539 A 4.3271 7.6988 118.9848 52.3374 19.4670 177.3802 540 A 4.0946 7.6575 119.6772 52.5858 18.6770 177.5311 541 T 4.5318 8.5224 111.4236 61.3936 70.0054 174.3997 542 T 4.7345 7.3292 112.3251 59.1325 73.3045 174.1101 543 E 3.8977 8.6000 121.9753 59.6945 29.7092 178.7378 544 D 4.3666 8.0535 118.3655 57.3827 40.9347 178.3516 545 E 3.9111 8.1387 119.6687 59.1413 29.6696 178.6191 546 L 3.9541 8.0629 120.4659 58.4381 42.0795 179.1125 547 T 3.8189 8.3904 115.9687 66.4151 68.3020 176.5384 548 A 3.9558 8.1918 122.5734 55.2434 18.3494 179.6255 549 A 3.9285 8.1173 119.2396 55.4947 18.3299 180.0969 550 T 3.7315 8.0290 114.3632 66.7874 68.4910 177.3009 551 R 4.0850 8.2399 120.0130 59.0834 30.0558 178.9663 552 A 4.1497 8.1872 122.1426 54.4041 18.3049 179.1945 553 L 3.7812 8.0860 119.1460 58.4577 42.1117 178.5870 554 D 4.4567 8.3668 118.0251 57.4857 41.1751 178.2014 555 R 2.6743 8.2637 119.3971 59.1410 30.0097 178.7031 556 V 3.4069 7.6537 117.8935 65.7809 31.2753 177.9331 557 L 3.8169 7.6455 117.9232 58.0248 41.6437 179.3815 558 T 4.2776 8.0481 115.4031 66.7472 68.3034 176.6201 559 A 3.2408 7.6727 120.8321 53.9339 18.3671 179.4331 560 G 2.6964 7.3400 103.6631 45.1495 0.0000 173.5477 561 R 3.7098 7.1066 118.6737 57.5096 28.1666 176.3593 562 Y 4.6396 7.4488 114.8851 59.5655 39.9130 177.1843 563 V 4.7515 7.5805 117.7181 61.1377 35.1420 174.9294 564 I 4.0451 8.8612 129.3375 59.9440 37.4794 173.5663 565 P 4.8840 0.0000 0.0000 60.7639 32.4102 177.0410 566 I 4.5824 8.3335 115.0315 60.9469 37.2503 177.6539 567 W 5.1042 7.6692 114.5872 54.3128 30.3303 175.6678 568 R 4.1417 8.5894 117.0392 56.6350 29.6596 176.6808 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 311 S 8.33 4.51 0.00 3.65 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 0.00 312 N 7.64 3.81 0.00 2.95 2.37 0.00 0.00 6.96 6.46 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 0.00 313 A 8.47 4.64 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 0.00 314 G 6.88 4.60 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 *316 T 8.20 4.26 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 317 G 7.60 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 0.00 318 F 7.66 5.37 0.00 3.02 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 0.00 319 V 8.92 4.29 1.47 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 0.77 0.00 0.00 0.70 0.00 0.00 320 I 8.35 4.69 2.03 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 1.10 0.68 0.93 0.00 0.00 321 N 9.04 4.53 0.00 2.23 2.48 0.00 0.00 6.60 6.83 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 0.00 322 T 8.25 4.57 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 323 R 8.04 4.03 0.00 1.87 2.01 0.00 3.12 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 324 R 7.76 4.51 0.00 2.03 2.00 0.00 3.16 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 325 A 8.81 4.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 P 0.00 4.73 0.00 2.27 2.30 0.00 2.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.92 0.00 327 F 7.61 4.46 0.00 3.41 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 0.00 328 D 8.12 4.57 0.00 2.89 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 0.00 329 D 8.16 4.82 0.00 2.76 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 0.00 330 W 8.95 4.33 0.00 3.52 3.28 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0.00 0.00 0.00 1.73 1.89 0.00 414 A 8.62 4.17 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 0.00 415 A 8.16 3.95 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 0.00 416 Q 8.15 3.85 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 417 F 8.25 3.99 0.00 3.29 3.14 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 0.00 418 L 8.27 4.00 0.00 1.88 1.67 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 419 E 8.34 4.22 0.00 2.14 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 0.00 2.32 2.36 0.00 420 Q 7.95 3.98 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 421 A 7.77 4.38 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 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0.83 1.33 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 0.00 498 S 8.89 4.57 0.00 3.99 3.91 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 0.00 499 L 8.65 4.63 0.00 1.75 1.75 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 500 S 8.05 4.82 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 P 0.00 4.74 0.00 2.35 2.43 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 502 G 9.54 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 0.00 503 N 8.93 4.20 0.00 2.79 2.77 0.00 0.00 6.67 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 E 8.06 3.64 0.00 1.59 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 1.72 2.20 0.00 505 Q 8.03 3.72 0.00 2.17 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.77 0.00 506 R 7.89 3.95 0.00 1.88 1.92 0.00 3.23 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 507 L 7.25 3.97 0.00 1.39 1.65 0.83 0.76 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 0.00 508 Y 7.13 4.15 0.00 1.43 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 0.00 509 W 7.67 5.24 0.00 3.15 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 G 8.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 511 S 8.90 4.18 0.00 3.99 4.15 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 0.00 0.00 0.00 0.00 512 H 8.31 4.16 0.00 3.11 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 S 8.24 5.15 0.00 4.00 4.08 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 0.00 514 A 7.74 3.97 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 0.00 515 G 7.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 Q 7.85 4.20 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 517 P 0.00 4.50 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 518 G 8.85 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 0.00 0.00 0.00 519 T 7.29 3.95 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 1.34 0.00 0.00 520 R 8.47 4.08 0.00 2.12 1.91 0.00 3.31 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 521 N 7.91 5.26 0.00 2.86 2.75 0.00 0.00 7.18 8.39 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 0.00 522 L 7.72 4.41 0.00 1.79 1.97 1.03 1.17 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 *524 G 7.97 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 0.00 525 A 8.07 3.80 0.65 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 0.00 526 A 8.13 4.45 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 S 8.14 4.64 0.00 3.86 3.63 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 0.00 528 P 0.00 4.23 0.00 2.30 2.16 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.20 0.00 529 A 7.31 2.72 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 I 7.44 3.69 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.51 0.99 0.00 0.00 531 D 7.95 4.52 0.00 2.64 2.71 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 0.00 532 A 7.79 4.19 1.06 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 0.00 0.00 *534 I 7.72 4.05 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.92 0.00 0.00 535 D 8.19 4.55 0.00 2.91 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 0.00 536 R 8.26 3.83 0.00 1.82 1.95 0.00 3.35 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 *538 L 7.94 4.23 0.00 1.75 1.77 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 539 A 7.70 4.33 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 0.00 540 A 7.66 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.53 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 1.28 0.00 0.00 542 T 7.33 4.73 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 0.00 543 E 8.60 3.90 0.00 2.05 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 2.37 2.40 0.00 544 D 8.05 4.37 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 E 8.14 3.91 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 546 L 8.06 3.95 0.00 1.79 1.76 0.90 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 0.00 547 T 8.39 3.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 548 A 8.19 3.96 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 0.00 549 A 8.12 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 3.73 4.07 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 0.66 0.00 0.00 551 R 8.24 4.09 0.00 2.00 2.07 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 552 A 8.19 4.15 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 0.00 553 L 8.09 3.78 0.00 1.73 1.87 0.84 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 554 D 8.37 4.46 0.00 3.19 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 R 8.26 2.67 0.00 1.67 1.77 0.00 2.99 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.00 556 V 7.65 3.41 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 0.86 0.00 0.00 0.86 0.00 0.00 557 L 7.65 3.82 0.00 0.98 0.25 -0.62 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 558 T 8.05 4.28 4.43 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 1.59 0.00 0.00 559 A 7.67 3.24 0.96 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 0.00 0.00 560 G 7.34 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 R 7.11 3.71 0.00 1.82 1.93 0.00 3.13 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 0.00 562 Y 7.45 4.64 0.00 2.99 2.92 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 0.00 0.00 0.00 563 V 7.58 4.75 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 0.77 0.00 0.00 0.77 0.00 0.00 564 I 8.86 4.05 1.80 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.12 0.00 0.00 565 P 0.00 4.88 0.00 1.76 1.77 0.00 3.49 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 566 I 8.33 4.58 0.88 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.23 0.36 0.00 0.00 567 W 7.67 5.10 0.00 3.43 3.44 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 0.00 568 R 8.59 4.14 0.00 1.87 1.89 0.00 3.33 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.