NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 326 M 5.0312 8.1100 119.7355 55.4144 34.2861 174.6661 327 S 3.3006 8.3497 112.5862 58.1442 62.8812 173.0851 328 L 3.6659 9.3875 121.2083 57.8492 42.5214 177.9859 329 Q 3.7949 7.3628 116.0664 58.0110 29.2327 176.2278 330 N 4.9227 7.5475 113.6366 51.7590 37.5571 173.9438 331 A 4.2923 7.2189 120.9553 51.7684 20.4778 178.7610 332 E 3.4458 8.5087 120.4735 59.1166 29.7289 179.2906 333 W 4.5774 6.9164 112.8091 56.6909 28.9096 174.6962 334 Y 5.0698 6.9924 121.5186 56.7298 38.1051 174.4967 335 W 4.0675 8.6701 127.7270 55.3911 30.9922 176.7287 336 G 3.6178 6.8656 105.6828 45.1556 0.0000 174.8887 337 D 4.3286 8.4519 119.7547 56.5482 42.1279 177.9041 338 I 3.8271 7.6301 110.3365 61.0543 37.7546 175.0865 339 S 4.6695 7.9122 115.5288 56.6877 64.9692 174.9480 340 R 3.8813 8.4371 118.7560 59.6468 29.3053 177.9536 341 E 3.8927 8.0574 118.6424 59.2995 29.5023 178.2084 342 E 3.8285 7.4316 117.9290 59.0470 29.8933 178.8063 343 V 3.4975 7.3271 117.1537 66.0087 31.8162 177.6853 344 N 4.2625 7.6994 115.3565 56.4278 38.0875 176.9904 345 E 4.0011 7.6100 119.5634 58.9499 29.8110 178.5750 346 K 4.0818 7.6868 117.2028 57.7908 32.1600 178.2051 347 L 4.6539 7.0523 117.0957 53.1663 41.9662 175.8822 348 R 3.9449 7.4721 119.2488 57.3341 30.3231 175.8417 349 D 4.4281 8.8034 121.0262 55.1689 38.7063 173.6809 350 T 4.1363 7.2571 107.2217 60.5079 69.7197 174.6712 351 A 4.1260 8.1459 126.2054 51.9023 19.1265 176.7905 352 D 4.5779 8.5047 120.1494 56.2423 41.4188 177.2997 353 G 4.2167 9.1344 111.2487 45.0027 0.0000 173.0662 354 T 5.1792 7.9478 116.6658 63.2775 69.7571 173.8837 355 F 6.1183 9.2179 119.7059 55.8705 41.8974 172.9920 356 L 5.1483 8.5119 118.7152 54.6071 44.3405 174.4331 357 V 5.1139 9.4530 120.2023 61.5418 34.1856 174.4640 358 R 5.1157 9.0188 125.9148 54.3989 34.2144 173.7602 359 D 5.0497 8.5028 122.8386 54.2515 41.3518 176.6263 360 A 4.3208 8.7334 124.5573 51.4306 18.6500 178.3145 361 S 4.0898 8.8244 116.1038 60.5354 63.2254 174.5676 362 T 4.2294 7.7384 109.8119 59.7216 68.4332 173.7109 363 K 4.1334 8.3227 129.4421 54.7161 32.2949 175.7863 *366 G 4.5009 7.9605 117.1923 45.9013 0.0000 170.4420 367 D 4.7042 8.6041 116.6273 54.3128 43.7564 175.8397 368 Y 5.4585 7.8350 114.7754 56.3630 42.6379 174.5571 369 T 5.0638 9.2305 117.6153 61.8444 72.5649 172.7975 370 L 4.7356 9.0732 128.9630 54.2579 44.2865 175.3363 371 T 5.0565 8.9726 122.6733 61.9500 71.1225 172.3652 372 L 5.2458 8.7433 129.3822 53.0083 45.1530 175.1222 373 R 4.7782 8.9479 127.2551 55.6473 31.3497 174.9729 374 K 4.9046 8.8283 127.3952 55.4908 36.1425 176.1698 375 G 4.0750 10.5388 115.0285 46.5574 0.0000 174.6619 376 G 3.9178 8.6153 106.3103 44.7536 0.0000 173.3699 377 N 5.0111 8.0430 116.7343 51.4748 42.3757 173.6805 378 N 5.0697 8.5419 117.8584 51.7054 39.9228 174.7066 379 K 4.2356 9.3074 125.5330 55.5576 33.4867 176.5711 380 L 4.6866 8.5389 126.1789 54.1921 42.4342 176.2752 381 I 4.4126 8.7558 125.9960 59.0223 39.6045 175.7644 382 K 4.2983 8.7009 126.6354 56.3771 33.1596 176.5298 383 I 4.7719 8.3393 124.7172 59.8489 39.5187 174.6527 384 F 4.8990 9.4283 127.3825 56.9321 40.5249 174.7759 385 H 4.8589 9.1713 124.2830 54.2438 30.4787 172.1001 386 R 4.2922 8.3484 124.0787 54.8657 31.3646 175.0894 387 D 4.3220 9.2439 125.1631 55.4647 39.2766 173.4114 388 G 3.8787 8.5792 102.1006 45.6814 0.0000 174.1439 389 K 4.6991 7.4478 116.3852 54.5616 36.8840 175.4459 390 Y 5.7821 9.0657 121.5730 55.2568 41.6222 175.5058 391 G 3.8839 8.0617 106.4109 47.2208 0.0000 172.6119 392 F 5.1704 8.2998 117.1238 58.5284 39.9003 175.9785 393 S 4.7046 7.6844 112.3307 56.1249 66.1218 173.2363 394 D 4.4416 8.8055 120.2097 57.0151 40.6032 176.6239 395 P 4.5206 0.0000 0.0000 62.2597 29.1301 175.3094 396 L 4.3230 7.6069 124.0192 55.0386 40.4977 176.8586 397 T 3.8224 7.9280 113.8770 63.8996 69.5376 176.1711 398 F 4.7844 7.3117 119.5950 57.0254 39.7896 175.6784 399 S 5.1082 9.5443 115.9075 57.8156 63.1919 175.4438 400 S 4.5643 8.6551 110.6716 59.3598 66.2219 174.5164 401 V 3.3969 8.0098 126.9787 64.3559 31.0075 173.9921 402 V 3.9247 7.4261 117.9660 65.8765 31.2210 177.3506 403 E 3.9433 8.3299 119.2429 59.0376 28.9750 178.5592 404 L 2.4400 7.4595 119.6886 57.8111 42.0178 178.8837 405 I 3.4446 7.5468 118.6372 64.3603 37.2680 177.9874 406 N 4.3773 8.0745 117.3044 56.1853 38.2770 176.6953 407 H 3.8794 7.6891 119.6104 59.5751 29.8572 176.0659 408 Y 4.8532 7.0399 116.1384 57.9108 37.4482 177.6039 409 R 4.0937 7.4577 122.5522 57.8632 30.3735 177.0852 410 N 4.4620 7.8243 115.3948 55.1300 39.8320 174.6532 411 E 4.3809 8.1595 118.8255 54.6493 30.8749 175.3034 412 S 4.4896 8.3241 118.5442 58.1477 63.2271 174.2447 413 L 4.3531 8.6583 124.6188 55.7963 41.5534 179.0004 414 A 4.1080 7.7674 122.2246 54.8261 18.3341 178.6836 415 Q 4.1738 8.2623 111.8488 57.3569 29.2265 175.1020 416 Y 4.5033 8.2762 120.8541 56.3333 39.3395 173.6260 417 N 3.8309 8.2611 125.5665 52.7906 35.4476 173.5019 418 P 4.1945 0.0000 0.0000 65.4321 31.8030 178.2374 419 K 4.0514 7.9086 116.2368 58.5737 32.4489 177.6263 420 L 4.4111 7.8513 122.4899 53.4927 39.9583 176.8723 421 D 4.5635 7.7147 116.8896 55.4285 42.2740 176.5162 422 V 3.9085 7.3637 117.5060 62.0994 32.1911 175.3073 423 K 4.7935 8.1091 119.7009 54.5989 34.1663 176.5567 424 L 4.3021 7.9955 121.9698 54.8659 39.4340 177.3112 425 L 4.0942 8.0913 122.4726 55.8037 43.4245 175.8169 426 Y 4.9029 8.6295 117.2655 55.1912 40.5970 174.0477 427 P 3.8686 0.0000 0.0000 62.5252 31.9566 176.8463 428 V 3.5798 7.7676 120.2312 63.8116 31.7496 172.4989 429 S 3.6358 8.2928 122.2655 57.4445 61.7574 169.9898 430 K 3.2050 7.7365 125.9656 56.6678 32.0265 176.1336 431 Y 4.6868 6.7912 117.1219 56.9200 39.0442 173.7465 432 Q 4.4925 8.7500 123.4775 57.2492 31.0163 176.2756 433 Q 4.3664 7.7699 112.3892 55.8037 30.6876 175.2466 *435 Q 3.9938 8.0196 116.6782 55.5789 28.6382 175.8590 436 V 3.8002 8.2218 117.3177 61.4886 29.5459 176.2064 437 V 4.2591 7.7018 123.5265 60.2440 34.2350 175.4245 438 K 3.7871 9.1461 119.1861 55.7472 27.7949 174.1897 439 E 4.8892 7.6727 116.5397 56.6781 35.9472 177.1216 440 D 4.7523 7.9389 115.9317 54.4380 45.0656 176.2071 *443 E 4.3697 8.0158 114.4098 55.6659 30.2447 178.9432 444 A 4.1169 9.1997 133.9230 55.3288 18.4894 179.9250 445 V 3.6213 7.1595 114.5280 66.1202 32.0340 178.3522 446 G 3.9820 7.6967 108.6431 45.6357 0.0000 171.8052 447 K 4.5581 7.2488 118.7278 55.0719 35.5125 175.8700 *450 H 4.6580 8.5872 116.9383 56.4538 30.9073 175.0159 451 E 3.9026 7.3615 118.1706 59.5766 29.5490 176.2953 452 Y 4.6908 7.0161 118.7819 58.0100 40.3021 177.0289 453 N 4.5667 7.7076 121.7700 57.7292 39.0710 176.6574 454 T 4.0931 7.7090 117.2431 66.4392 68.4333 176.8672 455 Q 4.0710 8.1990 119.8125 58.7398 28.6298 178.1565 456 F 4.0008 8.3739 121.2300 61.5234 39.4772 176.6714 457 Q 4.0710 7.9258 116.4342 59.3931 28.5965 179.7155 458 E 3.9297 7.9962 118.7733 59.5142 29.5134 179.6862 459 K 3.9802 8.1704 118.6719 59.3208 32.0459 179.4899 460 S 3.8403 8.6132 114.7785 61.1428 62.2174 176.4296 461 R 3.9612 8.4319 121.3489 59.0671 29.7588 178.5901 462 E 4.0008 8.2364 119.3171 59.0671 29.5485 178.0766 463 Y 3.9889 8.2162 119.8508 60.7130 38.8637 177.5648 464 D 4.3987 8.1992 119.7242 57.6303 41.0061 178.8021 465 R 3.9513 7.9910 118.0970 59.5881 30.2061 179.1130 466 L 3.9337 8.2821 118.6009 58.0777 41.6869 179.0155 467 Y 3.8895 8.0410 119.6406 60.3920 38.5750 177.8308 468 E 3.9167 8.4093 120.3695 59.3591 29.9136 178.1536 469 E 3.9292 8.2109 119.3464 59.5448 29.5681 178.3201 470 Y 4.0259 8.4818 119.6702 61.1936 39.0015 178.3351 471 T 3.7535 7.7885 116.4774 66.0390 68.4751 177.0652 472 R 3.8108 8.0440 120.8817 59.6510 30.0932 178.5264 473 T 3.7676 7.8671 115.4553 66.7453 68.5785 176.0847 474 S 3.5997 7.7987 114.8296 61.7816 62.2378 176.4945 475 Q 3.9273 7.8584 119.9985 58.4471 28.4734 177.7092 476 E 3.8170 8.6240 120.7975 59.5628 29.6130 178.7268 477 I 3.5576 8.2984 120.0619 64.6919 37.2367 177.9851 478 Q 3.8902 7.7950 119.6747 59.4419 28.8221 178.2112 479 M 3.9875 7.9474 119.5531 58.4912 32.0493 178.8610 480 K 3.9698 7.9445 118.3576 59.6017 32.3457 179.5526 481 R 3.9763 8.0018 118.4986 59.5155 30.0146 179.2060 482 T 4.2665 8.2920 110.4805 63.7444 68.7764 176.7922 483 A 3.9135 8.0277 124.0540 55.0817 18.4150 179.5807 484 I 3.8669 8.3460 118.7915 64.6765 36.6269 178.5378 485 E 4.0099 8.1932 118.8066 59.1582 29.1866 179.2926 486 A 3.9439 8.0007 120.8160 55.1398 18.4965 179.4211 487 F 4.1776 8.2318 116.6196 61.1126 39.0436 177.5692 488 N 4.3988 8.3550 115.7733 56.5642 38.3633 177.0745 489 E 4.0183 8.1073 120.4898 59.2390 29.7239 178.8622 490 T 3.9770 8.0946 115.9933 66.7416 68.6162 176.4464 491 I 3.7367 8.3402 121.8420 64.4612 37.2706 178.0918 492 K 3.8713 8.1844 120.2884 60.0628 31.6660 178.6953 493 I 3.7791 7.7021 118.5836 64.3715 37.1771 178.1535 494 F 4.0923 8.6217 118.6926 60.1363 38.6036 177.7579 495 E 4.0206 8.8724 118.9795 59.5067 29.2889 179.1881 496 E 4.0154 8.2046 118.4069 59.3004 29.4374 179.1953 497 Q 3.9155 7.7217 119.9353 58.8971 28.9246 178.0826 498 C 4.1120 7.9205 117.5140 62.9632 28.2411 175.7438 499 Q 4.0735 7.6475 117.6002 58.6924 28.0089 178.9711 500 T 4.2204 7.7360 117.3518 66.0942 68.9447 176.4131 501 Q 4.2826 8.0704 117.5536 57.4569 28.6576 177.1448 502 E 4.4134 8.4602 122.4121 57.8608 29.6026 178.6815 503 R 4.0362 8.1597 117.4727 59.0846 30.3226 177.5920 504 Y 4.3714 7.8826 114.6518 59.7944 38.5644 177.9242 505 S 4.3985 8.3204 115.5081 61.3096 62.8845 176.2886 506 K 3.9583 7.8945 123.2694 58.9281 32.0344 177.3751 507 E 5.0261 8.2232 115.3973 56.2724 29.6862 175.9866 508 Y 4.3651 7.7379 117.6801 58.3190 40.4924 177.6633 509 I 3.9007 9.2819 120.4350 63.8586 37.7709 177.2641 510 E 4.2580 7.6208 117.4401 57.6691 29.5050 177.9944 511 K 3.9918 7.7319 119.5258 58.7849 32.3932 178.3498 512 F 4.1938 8.5543 118.4347 59.8214 38.5086 177.5316 513 K 4.4212 7.9540 116.6480 58.0731 31.6618 179.4945 514 R 3.9745 7.2983 118.3545 59.2496 30.1828 178.0462 515 E 4.3624 8.1481 114.0815 55.8481 29.5846 176.8886 516 G 3.9616 7.2995 105.5226 46.4410 0.0000 174.3912 517 N 4.5356 8.6066 120.1278 52.0140 37.3771 174.0409 518 E 4.3942 8.0806 125.2668 54.8067 32.3910 175.2540 519 K 4.3378 8.6704 120.6967 57.7982 31.2944 178.3178 520 E 3.7732 7.7310 118.1922 59.2112 29.4481 178.7496 521 I 3.7034 7.5027 119.4262 64.2025 37.1676 177.9888 522 Q 3.9453 7.8476 120.1077 59.2712 28.8915 178.4317 523 R 3.9652 7.9852 119.1395 59.2427 29.9528 179.0793 524 I 3.7694 7.7188 119.6403 64.6406 37.1235 178.1762 525 M 4.2328 8.3634 118.9087 57.6185 31.9388 178.3038 526 H 4.1931 8.1955 119.2896 59.1949 30.0374 176.6728 527 N 4.3270 8.1029 118.6294 56.8063 38.7321 176.0597 528 Y 3.9910 7.8866 121.1159 60.8203 38.8241 177.5622 529 D 4.5443 8.1596 118.0314 55.8456 41.1354 178.8540 530 K 4.0580 7.7178 119.4714 59.1051 32.2091 178.9867 531 L 3.9895 8.0167 120.7499 57.9097 41.7918 178.8876 532 K 3.7567 7.9500 119.7116 59.5751 32.2648 178.7710 533 S 4.0517 7.6512 112.0186 61.2617 62.2752 176.0861 534 R 3.8518 8.0246 121.5763 59.2872 29.7306 178.4935 535 I 3.5932 7.6716 119.6148 64.5227 37.0996 178.5041 536 S 4.0771 7.7270 115.7257 61.4894 62.6232 176.6134 537 E 3.8839 7.9437 120.7089 59.4604 29.2319 179.5251 538 I 3.6005 7.5971 119.5186 64.4638 37.2164 178.3163 539 I 3.5508 7.8563 120.9660 64.7808 36.8512 178.2168 540 D 4.2583 8.1189 119.3533 57.3283 40.4796 178.8664 541 S 3.9224 7.8245 115.6995 61.4100 62.7462 176.8830 542 R 2.9992 7.2448 121.1204 59.1424 29.8357 178.3386 543 R 4.0799 7.6439 119.8122 58.8148 29.5391 178.2760 544 R 3.9668 8.1131 118.6283 59.3853 29.9775 178.2892 545 L 3.9664 7.5116 120.0178 58.0138 41.6063 178.7222 546 E 3.9408 8.4673 119.2821 59.3691 29.0391 178.8836 547 E 4.1526 8.1448 116.1660 58.2293 29.7798 178.4837 548 D 4.1984 7.6706 120.3566 56.9086 41.0286 178.2267 549 L 3.9077 8.1061 121.2544 58.1228 42.2548 179.2927 550 K 4.0894 8.0649 118.6854 59.5759 32.4028 179.0097 551 K 3.9318 7.5967 120.7775 59.5715 32.1293 178.8405 552 Q 4.0011 8.2620 118.2624 58.8279 28.6183 178.4851 553 A 4.0137 8.6993 121.9531 55.1603 18.2675 179.5282 554 A 3.9573 8.1225 119.1928 55.3576 18.5655 179.4873 555 E 3.9140 8.2157 117.8666 59.3978 29.6507 178.5159 556 Y 4.0327 8.5227 120.0708 60.8999 38.9311 178.1054 557 R 3.9013 8.1114 118.8859 59.0746 30.0423 178.7766 558 E 3.9041 8.0196 119.2757 59.1126 29.5785 178.7730 559 I 3.6293 7.5765 119.6860 64.4117 37.1552 177.7758 560 D 4.0258 7.8258 118.6754 57.2787 40.7939 178.3248 561 K 3.8643 7.8354 117.6099 59.7823 32.2449 179.2510 562 R 4.0628 8.1355 118.1548 59.3033 29.9207 179.0691 563 M 4.0552 8.0766 118.8465 58.3341 31.7848 177.9775 564 N 4.6005 8.1031 113.8629 54.6823 38.8073 176.4081 565 S 4.3796 7.5461 114.7060 60.1199 62.9487 175.2000 566 I 4.0835 7.4950 121.6590 62.8218 37.2446 177.7633 567 K 3.7233 7.9885 119.8534 59.0987 31.9900 176.6400 568 P 4.8314 0.0000 0.0000 62.8268 31.0234 176.0311 569 D 4.7748 7.7807 120.1428 55.4369 43.5524 178.0768 570 L 3.9758 8.2175 121.1770 57.7715 42.0105 178.9567 571 I 3.9560 7.5358 113.4189 63.7066 37.3591 177.5485 572 Q 4.2209 7.8147 117.4384 56.8166 28.4431 177.7533 573 L 3.8071 7.6048 120.4140 57.5628 41.9696 178.8840 574 R 3.7918 7.5511 116.4529 59.4534 30.2359 178.9444 575 K 3.9420 7.9572 118.7739 59.8540 32.0494 179.1822 576 T 3.8917 7.0406 114.4371 67.1881 68.5001 176.1601 577 R 4.0430 9.5462 120.2602 58.7547 29.9518 177.7916 578 D 4.5390 7.8973 121.0995 57.0188 41.5171 176.7691 579 Q 4.1403 7.3713 119.1106 56.1211 29.9051 174.8508 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 326 M 8.11 5.03 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 327 S 8.35 3.30 0.00 4.04 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 0.00 328 L 9.39 3.67 0.00 1.45 1.30 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 329 Q 7.36 3.79 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.17 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 330 N 7.55 4.92 0.00 2.94 2.90 0.00 0.00 6.71 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 0.00 331 A 7.22 4.29 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 332 E 8.51 3.45 0.00 2.07 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 2.55 2.36 0.00 333 W 6.92 4.58 0.00 3.48 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 0.00 334 Y 6.99 5.07 0.00 2.41 2.55 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 0.00 335 W 8.67 4.07 0.00 3.11 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 0.00 336 G 6.87 3.62 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 0.00 0.00 0.00 337 D 8.45 4.33 0.00 2.65 2.86 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 0.00 338 I 7.63 3.83 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 1.07 0.00 0.00 339 S 7.91 4.67 0.00 4.10 4.04 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 0.00 340 R 8.44 3.88 0.00 1.88 1.94 0.00 3.17 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 1.67 1.66 0.00 341 E 8.06 3.89 0.00 2.04 1.89 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 2.33 2.33 0.00 342 E 7.43 3.83 0.00 1.77 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 343 V 7.33 3.50 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 0.88 0.00 0.00 0.89 0.00 0.00 344 N 7.70 4.26 0.00 2.98 2.82 0.00 0.00 6.72 7.54 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 0.00 345 E 7.61 4.00 0.00 1.88 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 2.25 2.28 0.00 346 K 7.69 4.08 0.00 1.67 1.58 0.00 0.90 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 355 F 9.22 6.12 0.00 3.11 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 0.00 356 L 8.51 5.15 0.00 2.08 1.71 0.92 -0.05 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 0.00 357 V 9.45 5.11 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.12 0.00 0.00 358 R 9.02 5.12 0.00 1.92 1.74 0.00 3.29 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 359 D 8.50 5.05 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 0.00 360 A 8.73 4.32 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 361 S 8.82 4.09 0.00 3.87 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 0.00 362 T 7.74 4.23 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.16 0.00 0.00 382 K 8.70 4.30 0.00 1.45 0.81 0.00 1.04 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.18 7.81 383 I 8.34 4.77 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 1.14 0.00 0.00 384 F 9.43 4.90 0.00 3.13 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 0.00 385 H 9.17 4.86 0.00 3.41 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 386 R 8.35 4.29 0.00 1.85 1.73 0.00 3.23 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 387 D 9.24 4.32 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 388 G 8.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 389 K 7.45 4.70 0.00 1.82 1.60 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 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0.00 0.00 0.00 1.52 0.90 0.79 0.00 0.00 494 F 8.62 4.09 0.00 3.20 3.11 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 0.00 495 E 8.87 4.02 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 496 E 8.20 4.02 0.00 2.28 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 2.33 2.32 0.00 497 Q 7.72 3.92 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 498 C 7.92 4.11 0.00 3.01 2.93 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 0.00 499 Q 7.65 4.07 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 500 T 7.74 4.22 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 0.91 0.00 0.00 501 Q 8.07 4.28 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.40 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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 2.20 2.31 0.00 519 K 8.67 4.34 0.00 1.99 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 520 E 7.73 3.77 0.00 1.75 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 1.47 1.59 0.00 521 I 7.50 3.70 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.38 0.91 0.00 0.00 522 Q 7.85 3.95 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 523 R 7.99 3.97 0.00 1.84 1.93 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 524 I 7.72 3.77 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 0.96 0.00 0.00 525 M 8.36 4.23 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 526 H 8.20 4.19 0.00 3.38 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 N 8.10 4.33 0.00 2.82 2.85 0.00 0.00 6.88 8.79 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 0.00 528 Y 7.89 3.99 0.00 3.24 3.13 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 0.00 529 D 8.16 4.54 0.00 2.83 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 0.00 530 K 7.72 4.06 0.00 1.99 1.83 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.35 7.81 531 L 8.02 3.99 0.00 1.84 1.68 0.98 0.11 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 0.00 532 K 7.95 3.76 0.00 1.67 1.67 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.49 7.81 533 S 7.65 4.05 0.00 4.07 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 0.00 534 R 8.02 3.85 0.00 2.18 2.12 0.00 3.34 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.45 0.00 535 I 7.67 3.59 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.61 0.93 0.00 0.00 536 S 7.73 4.08 0.00 3.98 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 0.00 537 E 7.94 3.88 0.00 2.23 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 2.28 2.31 0.00 538 I 7.60 3.60 1.69 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.49 0.98 0.00 0.00 539 I 7.86 3.55 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 0.84 0.00 0.00 540 D 8.12 4.26 0.00 2.77 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 0.00 541 S 7.82 3.92 0.00 3.77 3.70 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 0.00 542 R 7.24 3.00 0.00 1.15 1.64 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 543 R 7.64 4.08 0.00 1.96 1.93 0.00 3.14 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 544 R 8.11 3.97 0.00 2.01 1.94 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 545 L 7.51 3.97 0.00 1.87 1.81 0.97 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 546 E 8.47 3.94 0.00 2.15 1.95 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 2.30 2.43 0.00 547 E 8.14 4.15 0.00 2.19 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 0.00 2.55 2.32 0.00 548 D 7.67 4.20 0.00 3.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 L 8.11 3.91 0.00 1.80 1.83 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 550 K 8.06 4.09 0.00 2.08 2.05 0.00 1.25 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.48 7.81 551 K 7.60 3.93 0.00 1.80 2.10 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.52 7.81 552 Q 8.26 4.00 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 553 A 8.70 4.01 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 0.00 554 A 8.12 3.96 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 0.00 555 E 8.22 3.91 0.00 2.25 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 0.00 2.33 2.33 0.00 556 Y 8.52 4.03 0.00 3.06 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 0.00 557 R 8.11 3.90 0.00 2.09 1.99 0.00 3.22 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 558 E 8.02 3.90 0.00 2.14 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 0.00 2.30 2.38 0.00 559 I 7.58 3.63 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 0.92 0.00 0.00 560 D 7.83 4.03 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 3.86 0.00 1.92 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 562 R 8.14 4.06 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 563 M 8.08 4.06 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 564 N 8.10 4.60 0.00 2.66 2.85 0.00 0.00 6.98 7.28 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 0.00 565 S 7.55 4.38 0.00 3.96 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 0.00 566 I 7.50 4.08 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 0.91 0.00 0.00 567 K 7.99 3.72 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.78 7.81 568 P 0.00 4.83 0.00 2.15 2.10 0.00 3.67 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 1.94 2.02 0.00 569 D 7.78 4.77 0.00 2.84 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 0.00 570 L 8.22 3.98 0.00 1.69 1.60 0.18 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 571 I 7.54 3.96 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.40 0.92 0.00 0.00 572 Q 7.81 4.22 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 573 L 7.60 3.81 0.00 1.88 1.74 1.04 0.68 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 0.00 574 R 7.55 3.79 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 575 K 7.96 3.94 0.00 1.87 1.75 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.50 7.81 576 T 7.04 3.89 4.01 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 1.19 0.00 0.00 577 R 9.55 4.04 0.00 1.85 1.84 0.00 3.08 0.00 0.00 2.94 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 578 D 7.90 4.54 0.00 2.72 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 0.00 579 Q 7.37 4.14 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.