NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 306 L 4.3175 8.0385 120.7660 53.9371 42.4428 177.6595 307 A 3.9301 8.5097 126.2018 53.6052 18.5766 177.3004 308 L 4.1432 7.7265 113.5760 55.5270 43.0385 175.6114 309 S 4.6227 7.4313 111.8226 57.7788 63.8103 174.6724 310 L 4.2578 7.1429 121.9911 55.0069 42.0267 177.6244 311 T 4.2560 8.5443 113.2402 60.6972 71.1896 175.8373 312 A 3.9210 8.3267 122.5763 55.6065 18.2763 179.6524 313 D 4.2881 7.8717 116.6886 57.6713 41.0039 178.9304 314 Q 4.0355 8.1087 118.5023 58.7637 28.5751 178.4842 315 M 3.9289 8.0918 119.6443 58.4752 32.3248 177.9827 316 V 3.5476 7.8234 118.4700 66.4664 31.6436 177.9686 317 S 4.0528 8.2032 112.1462 61.3562 62.2939 176.0194 318 A 4.0130 8.0157 123.5412 55.0103 17.8883 179.6912 319 L 3.9811 7.8844 116.7330 57.7231 41.9752 179.2858 320 L 4.1573 8.1334 119.1207 58.2076 41.4526 179.3148 321 D 4.4008 7.8797 116.7943 57.3440 40.8150 178.3952 322 A 4.2820 7.7062 119.0138 52.5414 18.9541 177.6615 323 E 3.9977 7.7378 117.8795 56.0316 29.9924 175.5660 324 P 4.5964 0.0000 0.0000 61.5238 32.3834 173.9438 325 P 4.5600 0.0000 0.0000 62.0009 32.3255 175.6114 326 I 4.0702 8.0962 120.1216 60.5772 37.5653 175.9109 327 L 4.7323 8.2596 125.2466 53.6065 43.4599 175.4823 328 Y 4.4941 8.2488 117.9029 56.1183 39.9713 175.9121 329 S 4.3159 9.2509 120.3095 58.7699 62.9902 175.3312 330 E 4.0272 8.6735 122.6698 58.3759 29.9457 175.5376 *338 S 4.2388 7.5744 109.3971 58.3946 63.9508 172.4592 339 E 3.9772 7.9223 120.4974 56.7952 29.1239 177.7641 340 A 4.3355 8.0748 135.0000 51.9438 18.3780 179.0825 341 S 4.2037 8.5795 111.8181 59.2535 62.7565 174.4691 342 M 3.9518 8.5360 130.0342 58.9610 32.0068 177.7475 343 M 4.1494 8.0396 118.5774 57.9455 32.1350 178.6440 344 G 3.6313 7.8990 105.9195 47.9537 0.0000 175.6461 345 L 4.0009 8.0963 122.3305 57.4273 41.5757 179.7638 346 L 4.0034 7.9244 118.8127 57.7926 41.4405 179.6829 347 T 3.9066 8.1113 116.0611 66.4669 68.3941 176.4100 348 N 4.2680 8.3110 119.1120 56.4024 38.9461 176.5975 349 L 3.9084 7.9991 121.5048 58.1896 42.2066 178.7349 350 A 4.0780 8.1939 120.6827 55.3944 18.1200 179.1932 351 D 4.2705 8.0926 116.2419 57.8041 40.7352 179.1554 352 R 4.1181 8.0515 118.3980 59.2418 29.9494 179.0032 353 E 3.8497 8.4388 118.6293 59.0011 29.3822 178.8538 354 L 3.9617 8.1193 120.7550 58.2100 41.9393 179.0464 355 V 3.5525 7.2853 117.5888 66.7295 31.4515 177.8823 356 H 4.2569 8.2085 114.9622 58.8082 28.4895 177.3547 357 M 4.2592 8.4545 120.7659 58.4734 32.0067 178.3803 358 I 3.7562 7.9001 120.1591 64.5534 37.1266 178.0350 359 N 4.3620 7.7256 116.0188 55.9995 38.5366 177.0856 360 W 4.2295 8.2877 129.4436 60.5008 30.8724 177.7571 361 A 2.5800 8.2681 121.0215 54.7659 17.4317 179.6648 362 K 4.1586 7.6978 115.1613 58.5995 32.1714 178.5987 363 R 4.4394 7.4570 116.7728 54.7030 30.9094 176.4026 364 V 3.4068 6.8537 121.1223 61.5104 31.7393 173.4724 365 P 4.4229 0.0000 0.0000 64.2146 31.7850 175.3800 366 G 4.3024 9.1548 111.3721 46.9710 0.0000 175.4969 367 F 4.0021 8.6188 121.9073 61.4110 39.3522 177.2911 368 V 3.8453 7.7513 110.3132 62.8833 31.6391 176.9324 369 D 4.3799 7.9298 120.1302 56.4845 40.9277 176.8071 370 L 4.3640 7.2417 118.7145 53.9060 42.4750 177.3189 371 T 4.0145 8.7429 111.6465 61.3917 70.5109 175.2236 372 L 3.8464 8.3289 123.3727 58.5966 42.1259 178.3594 373 H 4.0647 8.3089 117.5796 59.8667 29.7033 176.6971 374 D 4.7494 8.4408 120.4078 57.2907 40.5903 178.7120 375 Q 3.7279 8.0289 118.6995 58.9044 28.7349 179.0527 376 V 3.4712 7.8364 119.0255 66.3950 31.6361 177.2043 377 H 4.1615 8.2848 117.8348 59.5571 29.6510 177.0773 378 L 4.0087 8.2355 120.4550 57.9179 41.5529 179.5486 379 L 4.2123 8.1817 119.0161 57.7031 41.3217 179.1296 380 E 4.1888 8.5864 119.1259 59.5127 29.6202 178.3503 381 C 4.3247 8.0543 115.6853 61.7080 28.6076 174.8309 382 A 4.7174 7.9661 120.1628 51.8382 19.5463 178.5122 383 W 4.3326 8.1919 116.1398 59.7750 27.9360 178.2210 384 L 3.3755 6.4470 120.3782 57.2540 41.1135 178.4019 385 E 3.8827 7.7940 118.1446 59.4209 29.5456 179.2611 386 I 3.7151 8.1501 120.1976 64.2754 37.0745 178.5045 387 L 4.0211 7.9687 119.8062 58.0467 41.4765 179.5192 388 M 3.9671 8.3244 119.0272 58.4495 31.8899 178.7305 389 I 4.0715 8.1707 119.1564 63.8017 38.0425 178.2005 390 G 3.7208 8.1115 106.4299 47.6595 0.0000 175.2283 391 L 3.7644 8.0523 123.5031 57.8511 41.8288 179.2076 392 V 3.4306 7.9064 116.8863 65.5995 31.7579 177.4653 393 W 4.2949 8.4147 128.0102 60.7105 30.3265 178.1581 394 R 3.6662 7.9896 116.7909 59.0503 29.7062 178.5009 395 S 4.3029 7.9102 113.0264 59.2465 62.8253 175.6376 396 M 3.9677 6.9960 122.4429 57.5758 31.8577 176.4603 397 E 4.3692 7.4736 114.8639 56.4826 30.1873 176.5978 398 H 4.8266 7.9598 117.1195 52.6574 28.9934 170.6840 399 P 4.3217 0.0000 0.0000 63.9337 32.0239 177.2146 400 G 4.0173 9.0055 109.4893 45.7269 0.0000 173.1944 401 K 4.9331 7.9249 117.3089 54.3316 36.1671 175.7355 402 L 4.2647 8.9376 121.7544 52.8677 42.9431 176.1954 403 L 4.6528 8.4737 127.7246 53.6459 40.6173 176.1753 404 F 4.0717 8.8460 123.1592 59.5083 39.3584 175.6374 405 A 4.6318 7.5756 120.7375 49.6270 22.1290 174.8194 406 P 4.1179 0.0000 0.0000 64.8805 31.3230 177.4191 407 N 5.0051 7.7700 113.7708 52.0718 37.7968 175.3948 408 L 4.6127 8.1171 122.5606 54.3411 43.8142 171.6605 409 L 4.9621 8.2175 122.7328 52.8703 44.0710 174.7770 410 L 5.1006 8.9598 126.7175 53.0851 45.0718 175.7532 411 D 5.3729 8.4975 121.1095 51.7053 42.1255 176.7219 412 R 2.7491 8.6526 117.7064 59.4244 29.3391 177.7415 413 N 4.3717 7.8346 115.0019 55.1763 37.2534 176.7727 414 Q 3.8443 7.8758 119.9730 58.5724 28.9868 178.0903 415 G 3.7309 7.7378 109.5862 48.0524 0.0000 176.5515 416 K 4.1941 7.0453 120.5071 57.6168 31.3450 179.7772 417 C 4.4477 8.1224 119.6741 62.6856 28.9666 174.5036 418 V 4.0281 7.6071 122.2472 61.6916 31.9540 175.4268 419 E 4.2304 8.6770 124.0377 57.4282 29.7255 173.5827 420 G 4.0536 8.9762 112.5862 44.9734 0.0000 175.1295 421 M 3.7847 7.9125 118.8595 58.3210 32.0970 178.3521 422 V 3.5806 7.7123 118.3793 65.8197 31.6450 177.3514 423 E 3.9659 7.7302 118.7829 59.4440 29.4807 178.9691 424 I 3.7465 7.6994 119.3520 64.0839 37.1992 177.7103 425 F 3.8702 8.5591 121.9108 61.6824 39.1876 176.9903 426 D 4.4729 8.4153 118.1718 57.7382 40.5965 178.7749 427 M 4.0676 7.8764 119.3083 58.2823 31.9009 178.8911 428 L 3.8263 7.9107 119.1318 57.6482 41.8020 179.3456 429 L 3.8402 7.9856 118.8552 57.8389 41.5656 179.5291 430 A 3.9813 7.9155 120.4961 55.4251 18.2096 179.8244 431 T 3.5683 7.7156 114.2505 66.6898 68.2908 176.8424 432 S 3.9006 7.9742 115.0552 61.4689 62.3074 176.3892 433 S 4.0948 8.4958 118.2592 61.3267 62.3852 176.8015 434 R 3.8652 7.8264 121.4818 59.5630 29.8645 178.2664 435 F 4.4856 8.3697 117.9425 60.9862 38.9067 177.8610 436 R 3.8527 8.0413 118.0153 59.5420 29.7037 178.0996 437 M 4.0239 8.1458 117.2018 59.0230 32.3868 177.6178 438 M 4.2031 8.3705 116.0275 55.1741 33.5441 175.5748 439 N 4.0508 7.8796 117.2197 53.8830 37.8121 173.8587 440 L 4.1205 8.1974 120.0020 55.7854 43.3196 176.7651 441 Q 4.8819 8.9907 124.6732 54.3733 31.8510 177.1425 442 G 3.3121 8.7959 109.0766 48.2308 0.0000 175.9192 443 E 3.9997 8.0819 120.2148 59.0362 29.5101 179.2142 444 E 3.9534 7.9758 118.3051 59.0906 29.6636 178.5132 445 F 3.8969 8.0466 120.9733 61.6244 39.2523 177.7165 446 V 3.0104 7.4371 111.5606 64.2051 31.2329 178.3301 447 C 4.0339 7.5371 115.2025 62.8653 27.9744 176.2137 448 L 3.9462 7.7883 120.3983 57.5622 41.1734 179.4303 449 K 3.7949 7.7617 119.5876 59.6824 32.0438 179.0574 450 S 4.2605 8.1343 115.4067 61.5532 62.6787 176.6253 451 I 3.7144 7.9181 122.5948 64.4123 36.7198 178.3648 452 I 3.6918 7.9160 120.5708 64.3326 36.7576 177.9649 453 L 4.0753 7.7479 119.5969 58.5245 41.9856 178.7750 454 L 4.2938 7.8319 116.9994 57.0188 41.5669 178.1220 455 N 4.6079 8.6792 116.8801 55.4645 38.9175 176.8679 456 S 4.1113 7.8717 115.7789 60.2359 63.2632 175.6836 457 G 3.6713 7.8400 107.2679 45.6796 0.0000 175.8408 458 V 3.5554 7.0921 116.2153 65.4675 31.7411 177.9581 *459 Y 4.2538 7.8072 116.3197 58.6419 37.1520 177.8468 460 T 4.7051 7.5606 108.9094 61.6615 69.3886 174.8718 461 F 4.3858 7.8690 124.6740 58.6924 41.0616 175.8010 *463 S 4.3568 8.2431 116.7980 59.0139 63.8676 169.2509 464 S 4.7810 8.0874 112.0054 57.4889 62.7622 174.7111 465 T 4.1781 7.4102 111.5300 61.7711 71.3737 174.5376 466 L 3.7966 8.4390 123.5332 58.3060 41.9172 179.1568 467 K 3.7782 7.9430 118.8300 59.7518 32.1832 178.5025 468 S 3.8154 7.8146 113.1892 61.1582 62.1948 176.1436 469 L 3.9332 8.5906 122.2296 57.8075 41.4384 179.2280 470 E 3.9507 8.3319 118.6942 59.4232 29.3587 179.2355 471 E 3.9316 8.3495 121.0699 60.0542 29.6433 180.3174 472 K 4.0488 7.9198 123.6495 59.6402 31.8258 180.4751 473 D 4.5788 8.1612 119.1010 57.5187 41.1779 177.8717 474 H 4.1193 8.1665 118.5975 59.4217 29.8828 177.2011 475 I 3.7152 7.7514 121.5786 64.8941 36.9367 178.1741 476 H 4.3760 8.1303 116.4357 58.5693 28.4841 178.1757 477 R 3.9310 7.9597 120.1089 59.1346 29.8913 179.1812 478 V 3.5377 7.7656 118.0240 65.9453 31.4811 177.9752 479 L 3.9953 8.0594 118.7663 58.0316 41.3901 179.2173 480 D 4.3702 8.2565 118.6959 57.4114 40.6706 179.1109 481 K 3.9807 8.0512 118.9828 59.3944 31.9908 179.5751 482 I 3.7060 7.9699 120.2444 64.4504 36.9339 178.2742 483 T 3.8456 8.0603 116.7728 66.9707 68.2709 175.7986 484 D 4.4373 8.2280 120.6192 58.0829 40.8564 179.6229 485 T 3.8611 8.0043 115.7462 66.5046 68.5044 176.5925 486 L 3.9628 8.4726 121.1787 58.0678 41.6512 179.6923 487 I 3.6894 8.0290 119.7659 64.6992 37.0642 177.9324 488 H 4.0929 8.5574 119.2843 59.1280 29.5686 177.2012 489 L 3.9219 8.1551 120.8148 58.2311 41.6483 179.4009 490 M 4.0021 7.9602 118.1090 58.2739 31.8268 178.7225 491 A 3.9333 8.1570 120.9721 55.1555 18.4078 179.6704 492 K 3.8101 8.2734 116.7009 59.0179 32.2669 177.8191 493 A 4.4048 7.9138 118.9429 51.8443 18.8001 177.7961 494 G 3.8388 7.9564 105.7522 45.5142 0.0000 174.2042 495 L 4.3482 7.4526 118.7517 54.0181 42.3388 177.6330 496 T 4.1983 9.2271 112.8203 61.1820 70.7937 175.8158 497 L 3.8451 8.2843 120.8421 57.8538 41.5195 179.4252 498 Q 3.9828 8.0335 118.8835 59.4935 29.0281 178.2638 499 Q 4.0001 8.0983 118.8430 59.0298 28.7168 178.9539 500 Q 3.9277 8.2684 119.2490 59.4552 28.8406 178.5365 501 H 4.2912 8.2637 117.2946 59.1032 28.6488 177.9728 502 Q 4.0088 8.4761 120.0842 58.9732 28.5438 178.8123 503 R 4.0388 8.4673 120.1893 59.1533 30.1417 178.0439 504 L 3.9173 8.4299 120.4210 58.2415 42.0747 178.8245 505 A 4.0100 8.0186 120.3866 55.3577 18.1231 179.4691 506 Q 4.0017 8.0900 115.3815 59.3455 28.7630 179.0679 507 L 4.2660 8.1852 119.8969 57.7613 41.5485 179.5534 508 L 4.1682 8.1239 119.0158 57.6180 41.5962 179.4713 509 L 4.0727 8.1956 119.1156 57.7570 41.4948 179.5448 510 I 3.8757 7.6292 118.6527 64.1619 36.9651 178.1973 511 L 4.0511 7.7477 120.1564 58.0260 41.4143 179.5919 512 S 4.1258 7.8980 114.4507 62.1474 62.7601 176.6127 513 H 4.2397 8.0724 118.1971 58.6567 28.4964 177.7788 514 I 3.6964 7.9750 121.9326 64.1672 36.9069 178.3248 515 R 4.0101 8.0795 120.9627 59.0581 29.9247 177.8962 516 H 4.0758 8.1706 117.9501 59.7477 29.7974 177.1145 517 M 4.0349 8.1978 120.3686 58.3055 31.7484 178.6824 518 S 3.9142 8.1629 113.3473 61.3806 62.5450 175.9413 519 N 4.3109 8.1642 119.0829 56.3856 38.2296 177.5997 520 K 4.0826 8.1026 119.9715 59.1587 32.0578 179.5353 521 G 3.6773 8.6139 106.4845 48.2021 0.0000 175.5228 522 M 4.2315 8.4763 121.8128 58.0873 31.7950 178.5629 523 E 4.0530 7.9646 117.4055 59.8177 29.8680 178.6752 524 H 4.3853 8.4816 118.1057 59.4476 29.8221 177.3465 525 L 3.9309 8.3736 121.1695 57.7905 41.2755 178.3285 526 Y 4.4732 8.3039 114.1716 58.8716 38.0703 177.1251 527 S 4.6533 7.7275 115.7878 59.4155 63.6949 173.9427 528 M 4.1921 7.5077 124.7723 54.2329 31.0504 176.3684 529 K 4.2174 8.3117 126.3811 53.8698 33.1245 173.2717 *532 N 4.8338 8.2793 125.8401 53.3329 39.3574 176.6488 533 V 4.1483 8.2275 108.3718 60.6964 31.2955 176.2341 534 V 4.5028 7.3395 120.4582 58.4112 31.4513 173.0950 535 P 4.4042 0.0000 0.0000 63.5297 33.3657 176.9436 536 L 3.8256 8.6022 121.6077 58.3986 41.9956 178.5331 537 Y 3.9385 8.1182 118.9926 60.9239 38.7594 177.6231 538 D 4.5053 8.3784 119.0222 57.4182 40.9419 178.2990 539 L 3.9087 8.0491 120.6241 58.4557 42.0545 179.0904 540 L 3.9360 8.2327 118.9497 57.5357 41.4921 179.1731 541 L 3.8046 7.8347 120.2005 58.3051 41.8231 178.4946 542 E 3.9381 7.9202 117.5580 59.8081 29.5264 178.4676 543 M 4.2182 7.5610 117.2091 58.2368 32.2113 178.4380 544 L 4.2082 8.3099 118.6214 56.7024 43.2209 177.6231 545 D 4.5570 8.1375 120.2726 52.7907 39.6176 175.4351 546 A 4.2030 7.4485 123.9689 51.5162 19.9536 177.5073 547 H 4.7099 8.1335 116.8452 55.2225 30.0884 175.2195 548 R 4.6782 8.2368 115.5768 56.1392 30.4070 177.7502 549 L 4.1332 8.0524 120.6924 57.4116 41.9820 177.4339 550 H 4.7008 7.7917 116.1631 54.4018 27.3824 174.9181 551 A 4.2090 8.0778 125.1558 52.1671 18.3678 177.7902 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 306 L 8.04 4.32 0.00 1.59 1.62 0.92 0.51 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 0.00 307 A 8.51 3.93 1.33 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 0.00 0.00 0.00 308 L 7.73 4.14 0.00 1.65 1.71 0.94 0.79 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 0.00 309 S 7.43 4.62 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 0.00 310 L 7.14 4.26 0.00 1.58 1.62 0.94 0.82 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 0.00 311 T 8.54 4.26 4.19 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 1.24 0.00 0.00 312 A 8.33 3.92 1.13 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 0.00 0.00 0.00 0.00 0.00 313 D 7.87 4.29 0.00 2.67 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 0.00 314 Q 8.11 4.04 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 315 M 8.09 3.93 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 316 V 7.82 3.55 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 1.02 0.00 0.00 0.99 0.00 0.00 317 S 8.20 4.05 0.00 3.96 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 0.00 318 A 8.02 4.01 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 0.00 319 L 7.88 3.98 0.00 1.76 1.76 0.89 0.82 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 0.00 320 L 8.13 4.16 0.00 1.69 1.74 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 321 D 7.88 4.40 0.00 2.91 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 0.00 322 A 7.71 4.28 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 0.00 323 E 7.74 4.00 0.00 2.18 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 2.59 2.46 0.00 324 P 0.00 4.60 0.00 2.16 2.09 0.00 3.66 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 1.69 0.00 325 P 0.00 4.56 0.00 2.20 2.11 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 326 I 8.10 4.07 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 1.41 0.57 0.77 0.00 0.00 327 L 8.26 4.73 0.00 1.65 1.64 0.96 0.84 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 0.00 328 Y 8.25 4.49 0.00 2.93 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 0.00 329 S 9.25 4.32 0.00 3.81 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 0.00 330 E 8.67 4.03 0.00 2.03 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 2.23 1.87 0.00 *338 S 7.57 4.24 0.00 3.99 3.99 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 A 7.58 4.63 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 0.00 406 P 0.00 4.12 0.00 1.40 1.94 0.00 2.79 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.76 0.00 407 N 7.77 5.01 0.00 2.90 3.07 0.00 0.00 5.74 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 L 8.12 4.61 0.00 1.75 1.67 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 409 L 8.22 4.96 0.00 1.61 1.54 0.85 0.96 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 0.00 410 L 8.96 5.10 0.00 2.12 1.79 0.91 0.86 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 0.00 411 D 8.50 5.37 0.00 2.64 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 0.00 412 R 8.65 2.75 0.00 1.77 1.85 0.00 3.36 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 413 N 7.83 4.37 0.00 2.96 2.97 0.00 0.00 6.17 7.44 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 0.00 414 Q 7.88 3.84 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 415 G 7.74 3.73 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 0.00 0.00 0.00 416 K 7.05 4.19 0.00 1.70 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 417 C 8.12 4.45 0.00 2.96 2.98 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 0.00 418 V 7.61 4.03 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 1.01 0.00 0.00 0.93 0.00 0.00 419 E 8.68 4.23 0.00 2.03 1.74 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 2.23 1.88 0.00 420 G 8.98 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 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0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 438 M 8.37 4.20 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 439 N 7.88 4.05 0.00 2.77 2.78 0.00 0.00 7.06 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 L 8.20 4.12 0.00 1.45 1.63 0.68 0.22 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 0.00 441 Q 8.99 4.88 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 442 G 8.80 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 0.00 0.00 0.00 443 E 8.08 4.00 0.00 2.05 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 2.40 2.46 0.00 444 E 7.98 3.95 0.00 2.09 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 2.37 2.34 0.00 445 F 8.05 3.90 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 505 A 8.02 4.01 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 0.00 506 Q 8.09 4.00 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 507 L 8.19 4.27 0.00 1.71 1.74 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 508 L 8.12 4.17 0.00 1.73 1.74 0.94 0.50 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 0.00 509 L 8.20 4.07 0.00 1.90 1.77 0.95 0.52 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 0.00 510 I 7.63 3.88 2.27 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 0.99 0.00 0.00 511 L 7.75 4.05 0.00 1.88 1.76 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 512 S 7.90 4.13 0.00 4.09 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 0.00 513 H 8.07 4.24 0.00 3.29 3.33 0.00 5.62 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 0.00 514 I 7.97 3.70 2.02 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 1.37 0.69 0.89 0.00 0.00 515 R 8.08 4.01 0.00 2.00 2.12 0.00 3.18 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 516 H 8.17 4.08 0.00 3.36 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 M 8.20 4.03 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 518 S 8.16 3.91 0.00 3.75 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 0.00 519 N 8.16 4.31 0.00 2.89 2.82 0.00 0.00 7.07 6.51 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 0.00 520 K 8.10 4.08 0.00 1.85 1.83 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 521 G 8.61 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 0.00 0.00 0.00 522 M 8.48 4.23 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.91 0.00 523 E 7.96 4.05 0.00 2.21 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 2.39 2.55 0.00 524 H 8.48 4.39 0.00 3.31 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 L 8.37 3.93 0.00 1.56 1.49 1.04 0.77 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 0.00 526 Y 8.30 4.47 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 S 7.73 4.65 0.00 4.01 4.19 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 0.00 528 M 7.51 4.19 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 529 K 8.31 4.22 0.00 1.78 1.62 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 0.99 7.81 *532 N 8.28 4.83 0.00 2.68 2.32 0.00 0.00 7.14 7.71 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 0.00 533 V 8.23 4.15 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 0.93 0.00 0.00 534 V 7.34 4.50 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 0.93 0.00 0.00 0.92 0.00 0.00 535 P 0.00 4.40 0.00 2.36 2.27 0.00 3.73 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 2.32 2.05 0.00 536 L 8.60 3.83 0.00 1.68 1.73 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 537 Y 8.12 3.94 0.00 3.32 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 0.00 538 D 8.38 4.51 0.00 2.96 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 0.00 539 L 8.05 3.91 0.00 1.71 1.84 0.89 0.46 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 0.00 540 L 8.23 3.94 0.00 1.69 1.63 0.88 0.42 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 0.00 541 L 7.83 3.80 0.00 1.72 1.86 0.91 0.75 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 0.00 542 E 7.92 3.94 0.00 2.00 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 2.33 2.40 0.00 543 M 7.56 4.22 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 544 L 8.31 4.21 0.00 1.62 1.74 0.96 1.24 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 0.00 545 D 8.14 4.56 0.00 2.64 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 0.00 546 A 7.45 4.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 H 8.13 4.71 0.00 3.19 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 8.24 4.68 0.00 1.80 1.95 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 549 L 8.05 4.13 0.00 1.26 1.59 0.68 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 550 H 7.79 4.70 0.00 3.17 3.26 0.00 5.71 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 0.00 551 A 8.08 4.21 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 * Residues marked with a * may have inaccurate shift predictions.