NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 299 M 4.5055 8.2893 120.3333 54.6467 33.0618 174.9850 300 P 4.1801 0.0000 0.0000 61.5639 32.6070 173.3527 301 V 3.5762 9.3148 123.6515 65.7374 32.3024 178.9589 302 D 4.3557 8.0404 118.5243 57.5113 40.5569 178.7542 303 R 4.0118 7.5443 117.1183 58.8826 30.2432 179.1308 304 I 3.8592 7.5124 119.5193 64.3269 37.3730 177.6406 305 L 3.9589 7.9234 121.1537 58.3720 41.7123 178.6677 306 E 3.9458 8.2838 118.8912 59.2058 29.3380 178.7090 307 A 4.0356 7.8350 119.8847 55.0798 18.6161 179.2013 308 E 4.1834 8.2879 116.5885 59.7930 29.4959 179.1953 309 L 3.9480 7.8946 117.4357 57.9976 41.8292 179.2799 310 A 4.1432 8.1063 119.4519 55.8248 18.6864 176.9568 311 V 4.5730 7.8677 117.6049 60.7586 33.9527 172.6788 *335 P 4.3476 0.0000 0.0000 62.9485 33.2902 178.7962 336 V 3.3938 7.4614 117.9852 66.0165 31.4429 177.9726 337 T 3.8200 7.6625 115.1098 66.6171 68.3275 176.3244 338 N 4.3360 7.9568 117.9781 56.2010 38.5722 177.4555 339 I 3.6270 8.0045 121.6171 64.6264 37.1347 178.3319 340 C 4.1739 8.1802 117.5842 62.9416 27.8488 176.2537 341 Q 3.9539 8.1070 119.2041 58.4949 28.1937 178.6270 342 A 3.9140 7.9107 121.8504 55.1260 18.2641 179.3886 343 A 4.0408 8.0397 118.1894 55.4533 18.7230 179.1283 344 D 4.4587 8.2604 117.4518 57.6374 41.1373 178.7757 345 K 3.7937 8.2243 119.8954 60.1424 31.9480 178.6996 346 Q 4.1947 8.2272 117.8688 58.8188 28.6313 178.6185 347 L 4.1964 8.1755 120.2729 57.4179 41.4442 178.8913 348 F 4.2125 7.8196 119.0389 60.6177 39.4967 175.6749 349 T 4.6698 7.5782 104.9338 60.4487 69.8292 175.4469 350 L 4.1153 8.0745 126.5539 58.6624 41.8957 179.1191 351 V 3.6598 7.8221 117.8685 65.8590 31.2750 177.5576 352 E 3.9639 8.1598 116.9863 59.2522 29.6942 178.5887 353 W 4.2503 8.1655 127.5808 60.4145 30.6923 177.7103 354 A 2.7370 8.3086 123.0584 55.3937 17.5619 180.3358 *355 K 3.9683 8.0920 120.7943 59.4921 31.7411 180.2743 356 R 4.4191 7.2804 114.5531 56.6147 30.7982 176.6536 357 I 3.7342 7.7491 122.0552 61.4373 37.0885 176.4658 358 P 3.6074 0.0000 0.0000 63.5996 32.8124 175.6224 359 H 4.8501 8.0923 111.1931 55.5401 30.2465 175.9687 360 F 4.3714 8.6248 124.8480 61.5960 39.2279 177.6884 361 S 4.0809 8.0968 114.9313 60.9468 62.7439 175.3486 362 S 4.2975 7.5933 113.6626 59.5938 63.3611 174.8368 363 L 4.0969 7.2176 121.0527 53.4701 42.1415 175.5394 364 P 4.2185 0.0000 0.0000 63.0622 33.1234 177.4329 365 L 3.8975 8.5508 121.1373 58.3990 41.7289 179.7689 366 D 4.4021 8.0286 117.9972 57.5028 40.8107 178.4032 367 D 4.4865 7.9140 118.7480 56.9498 40.8647 178.7461 368 Q 4.0436 7.8744 119.0401 58.9659 28.7229 178.9103 369 V 3.7150 7.8293 113.4354 64.4927 31.7078 178.5392 370 I 3.7803 7.6949 119.0892 64.5974 37.1198 178.4644 371 L 4.1554 8.1696 119.6083 57.9020 41.4801 179.6644 372 L 4.1583 8.2052 119.0252 57.7599 41.3499 179.4759 373 R 4.0521 8.4794 118.1395 59.4201 30.1084 178.0940 374 A 4.4208 8.1587 119.5242 53.7439 18.8177 178.6725 375 G 3.9755 8.0551 101.8352 43.8574 0.0000 174.9933 376 W 4.4431 8.3059 120.4297 60.0304 27.8900 178.0094 377 N 3.6246 6.1086 117.1752 54.7242 36.7962 176.9696 378 E 3.6875 7.5412 120.3234 59.0437 29.6189 178.7008 379 L 3.7281 7.8672 119.1438 58.0332 41.6369 179.6369 380 L 3.8930 7.8799 118.3478 58.0072 41.7499 179.7822 381 I 2.8287 8.1072 119.6496 63.9371 36.9387 178.3616 382 A 3.7613 7.6843 121.7834 54.6953 18.1610 179.6330 383 S 3.8390 7.7026 111.9360 61.5397 62.3617 176.4891 384 F 4.3129 8.0045 116.3149 59.8073 37.8481 177.3304 385 S 4.2631 7.1080 115.3316 61.6776 62.6633 175.8711 386 H 4.0137 7.9238 120.5675 59.5036 29.4490 177.1660 387 R 4.0376 7.9719 118.6067 58.9832 30.0025 177.4254 388 S 4.6922 7.8757 113.6374 58.4530 62.7910 175.7273 389 I 3.7419 7.7416 124.8774 63.8344 36.9458 176.1933 390 D 4.9207 7.9979 118.3528 53.7429 41.5084 175.1739 391 V 4.2908 7.4413 116.9339 60.0295 33.1918 175.0644 392 R 3.8171 8.7581 127.3478 57.6084 30.6240 176.5381 393 D 4.3524 8.9098 127.8567 53.9848 38.1815 171.7470 394 G 4.6643 7.0658 105.2866 46.0384 0.0000 172.0392 395 I 4.6678 8.6915 119.5189 59.0172 41.3440 174.7312 396 L 4.5882 10.3866 130.8173 53.0074 42.3765 176.0939 397 L 4.0320 8.4231 126.4788 54.4836 42.1615 178.6601 398 A 4.1643 8.4215 122.6877 54.2410 18.3814 178.2753 399 T 4.1575 7.6991 109.0930 61.8390 67.9384 174.0186 400 G 4.0705 8.0562 108.1277 46.1259 0.0000 174.2982 401 L 4.2512 7.5551 118.1659 55.0260 43.0518 176.0145 402 H 5.3599 8.5245 117.2120 54.4890 31.8447 174.6786 403 V 4.2702 8.2200 119.1122 62.1618 34.6367 173.5887 404 H 5.2857 8.6401 124.7322 54.2332 31.2605 176.1277 405 R 3.8490 8.9705 121.0820 59.9073 29.8156 178.6536 406 N 4.2576 8.0565 115.6359 56.4739 38.6523 177.3289 407 S 4.0111 7.9043 116.2643 61.4245 62.8731 176.5892 408 A 3.6734 7.4572 122.7548 55.4709 18.0340 179.2062 409 H 3.9862 8.0097 114.5251 59.1470 28.5815 178.0397 410 S 4.1293 8.1598 113.6104 60.9775 62.2699 175.2128 411 A 4.3550 7.9851 121.3308 52.2262 18.6637 178.0760 412 G 4.0841 8.2437 105.9394 45.3793 0.0000 174.5018 413 V 4.5913 7.6882 113.1390 60.9454 32.6533 178.8177 414 G 3.2148 8.3255 107.4454 47.7835 0.0000 175.3601 415 A 4.0406 8.0062 123.5954 54.9874 18.4144 179.4965 416 I 3.6828 7.7660 116.3941 63.9907 38.2025 177.5920 417 F 3.9910 8.2024 121.3303 61.3695 39.1469 176.8954 418 D 4.4824 8.5095 118.5824 57.2243 40.5683 178.9651 419 R 3.9225 7.6900 119.0413 58.9602 29.9432 178.9404 420 V 3.4514 7.7695 118.0632 66.0609 31.5272 178.0604 421 L 3.8796 7.5087 118.0987 58.0728 41.2907 179.8073 422 T 3.7965 7.9402 114.4263 66.8929 68.5893 176.5235 423 E 4.1481 8.3605 119.1559 58.4488 29.7684 177.2308 424 L 4.4354 7.5947 116.0637 56.3045 43.6151 178.2823 425 V 3.5275 8.1766 118.0111 66.5348 31.5485 178.4396 426 S 4.0831 8.7981 113.7532 61.6651 62.4270 176.7387 427 K 4.0023 7.9074 121.2923 59.0965 31.9172 179.0584 428 M 4.0583 8.2203 119.4622 57.8521 31.6783 178.7421 429 R 3.8884 8.0735 119.4397 59.4319 30.0649 178.2526 430 D 4.3524 8.0004 117.7598 57.5852 40.9065 178.3150 431 M 4.0616 7.6459 117.1216 55.5240 32.8802 176.2313 432 R 3.6801 7.5013 116.8783 57.1393 27.7701 177.0949 433 M 4.1591 7.9841 117.3634 55.5697 32.7113 176.0213 434 D 4.8283 9.3639 127.6000 52.4928 42.0403 177.3488 435 K 3.9158 8.6269 119.1911 60.0398 32.0880 179.3824 436 T 3.7611 8.0386 115.2954 66.9153 68.3482 176.2328 437 E 4.0090 9.4895 121.0801 59.1294 29.3892 179.0698 438 L 4.0178 8.1657 120.5904 58.2039 42.1557 178.9584 439 G 3.9093 8.7152 105.9302 48.3027 0.0000 175.0602 440 C 4.3631 8.0332 118.7193 62.6102 28.1548 175.8895 441 L 3.9888 7.9674 120.3582 58.2536 41.2846 179.8007 442 R 3.8278 8.4017 117.6064 59.2914 30.0686 178.5994 443 A 3.8990 8.9927 121.2724 55.5777 18.0826 179.7722 444 I 3.8225 8.3730 117.4625 64.6578 37.3608 178.4632 445 I 3.8558 7.8096 112.6558 63.7599 37.2980 177.6754 446 L 4.1417 8.0939 121.7554 57.3430 43.2941 178.5470 447 F 5.1695 7.6116 118.6728 55.2303 36.5096 173.3307 448 N 4.8568 7.8395 117.9566 51.0660 39.4014 173.6543 449 P 4.4547 0.0000 0.0000 65.1043 31.6215 177.4740 450 D 4.4970 8.1872 116.3156 54.8649 41.3984 176.4577 451 A 4.0519 7.9414 124.2347 52.0719 18.6511 177.2020 452 K 4.0352 8.5840 123.5528 57.9162 32.5809 177.5697 453 G 3.9763 8.9664 111.4064 45.2517 0.0000 173.4136 454 L 4.2785 7.2178 118.8911 54.4585 42.1487 177.5425 455 S 4.1383 9.8445 119.0431 60.8944 63.1593 175.4150 456 N 4.8064 8.0138 126.8128 49.8914 39.2895 172.7355 457 P 4.3007 0.0000 0.0000 65.1277 31.6308 178.1878 458 S 4.1743 8.3307 115.2131 62.0792 62.7899 176.8633 459 E 3.8878 8.2527 121.3673 60.9532 29.6174 181.4957 460 V 3.6683 7.4185 119.3779 65.6540 31.6142 177.4675 461 E 3.9507 8.7791 119.3654 59.5319 29.1989 178.9353 462 V 3.8106 7.9118 119.6476 65.5372 31.5262 178.0281 463 L 3.7044 7.6458 118.5530 57.2913 41.2315 179.5632 464 R 4.2787 7.8570 116.1705 58.9643 29.1959 178.5540 465 E 2.5400 8.0472 117.8403 58.0026 29.4495 179.3549 466 K 3.8214 7.4575 120.0653 59.1206 32.0806 179.2597 467 V 3.6490 7.4493 118.3043 66.2043 31.6158 177.3725 468 Y 4.5704 8.0676 115.6921 58.5869 38.0202 177.5186 469 A 3.9773 7.3775 123.0414 55.4756 18.8183 179.6340 470 S 4.0973 8.1702 113.7657 61.6119 62.8501 176.6982 471 L 4.0625 8.3721 123.3548 58.3251 41.8707 178.7160 472 E 3.3479 7.9980 119.1345 59.1424 29.2861 178.8396 473 T 3.7498 7.8777 115.7549 66.7542 68.5151 175.5430 474 Y 4.1481 8.5125 121.6538 61.4128 38.8820 178.3104 475 C 4.3124 8.5684 117.1852 62.8191 27.9446 176.4124 476 K 4.0763 7.7693 119.5898 59.4191 31.7044 179.1455 477 Q 3.9988 7.8624 117.7646 58.8805 28.8172 178.3461 478 K 3.6693 7.6894 120.3252 58.1274 33.7453 176.6911 479 Y 4.8641 7.4501 115.2242 55.6837 38.1972 174.4846 480 P 4.3397 0.0000 0.0000 65.7707 32.0457 178.2628 481 E 3.9674 8.2481 118.6022 58.2826 29.7003 176.2291 482 Q 4.4023 7.8535 120.3996 55.1084 27.6949 175.7601 *483 Q 4.1608 8.5071 121.8233 56.7201 28.8656 176.2843 484 G 4.0562 7.9201 101.2851 45.2088 0.0000 175.2674 485 R 3.8635 7.8820 121.9032 59.2321 30.0733 177.7537 486 F 4.3102 8.3950 119.6821 61.4606 39.3103 176.5652 487 A 3.4910 8.0308 119.4880 55.0587 18.0298 178.9636 488 K 3.6767 7.8450 116.6532 59.8904 32.4397 178.4020 489 L 4.0642 8.1780 119.1085 57.9297 41.5412 179.4189 490 L 3.9068 7.5405 118.7895 57.6799 41.2570 179.0376 491 L 4.2288 7.8171 115.5126 55.8172 41.7189 178.2847 492 R 4.3303 7.8603 118.6784 56.7611 30.5683 178.3835 493 L 3.9715 7.9077 120.4172 57.1012 41.6091 177.4643 494 P 4.1915 0.0000 0.0000 65.7061 31.2169 178.3790 495 A 3.9508 7.8507 120.2008 54.9334 18.2998 179.4357 496 L 3.8553 7.6562 117.1585 57.6696 41.6094 179.4567 497 R 3.8075 8.0374 119.2232 59.2462 30.0067 178.5039 498 S 4.0673 8.1699 113.7646 61.7722 62.9810 176.2865 499 I 3.7227 7.8406 124.2699 63.6978 36.8182 178.4582 500 G 3.5022 8.1173 106.3040 47.8864 0.0000 175.5523 501 L 4.0163 7.8432 121.9472 57.3448 41.6626 179.8394 502 K 4.0033 8.2636 118.4412 59.5176 31.9086 178.6053 503 C 4.0330 8.5322 119.1937 62.8669 31.4828 175.6745 504 L 4.0519 8.0907 120.2085 57.8555 41.2114 179.5679 505 E 4.2794 8.2624 118.3465 60.0012 29.4590 179.0622 506 H 4.2313 8.5773 116.1562 58.9288 28.7653 177.7309 507 L 4.2215 8.5588 121.1349 57.9873 41.4470 179.4890 508 F 4.1140 8.4599 117.5321 60.5450 38.8940 176.9894 509 F 4.1463 8.3944 119.9844 61.9929 39.1374 177.5565 510 F 4.1383 8.5320 119.3790 60.9886 38.4550 178.5544 511 K 4.1436 8.0164 122.7987 59.2967 31.5386 181.8049 512 L 4.3536 8.1718 120.2575 57.7901 41.9350 178.1875 513 I 4.1082 7.6517 111.3251 60.1619 38.1860 175.9640 514 G 3.7006 7.4928 110.2471 47.3887 0.0000 172.5064 515 D 4.4687 8.6289 119.5503 54.9435 38.9551 173.6110 516 T 4.7313 7.2146 106.2568 58.4889 71.6608 172.9850 517 P 4.2868 0.0000 0.0000 66.5351 30.5152 179.1538 518 I 3.7738 7.3906 122.4915 65.9975 35.1205 183.5006 519 D 4.7332 8.1697 124.3966 59.0075 39.6985 180.6730 520 T 4.3224 8.0514 117.0680 66.4052 68.5751 177.4931 *521 F 3.7965 8.3998 117.4681 61.0749 37.9294 177.8239 522 L 4.3102 6.2795 122.3934 54.9439 40.5887 179.5190 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 299 M 8.29 4.51 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 300 P 0.00 4.18 0.00 2.30 2.20 0.00 3.73 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 2.08 2.02 0.00 301 V 9.31 3.58 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 0.76 0.00 0.00 0.92 0.00 0.00 302 D 8.04 4.36 0.00 2.81 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 0.00 303 R 7.54 4.01 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 304 I 7.51 3.86 2.09 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 1.52 0.89 0.96 0.00 0.00 305 L 7.92 3.96 0.00 1.73 1.84 0.93 0.69 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 0.00 306 E 8.28 3.95 0.00 2.33 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 2.32 2.48 0.00 307 A 7.84 4.04 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 0.00 308 E 8.29 4.18 0.00 2.25 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 2.57 2.40 0.00 309 L 7.89 3.95 0.00 1.79 1.78 0.97 0.70 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 0.00 310 A 8.11 4.14 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 0.00 311 V 7.87 4.57 2.11 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 0.88 0.00 0.00 1.06 0.00 0.00 *335 P 0.00 4.35 0.00 2.13 2.21 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 336 V 7.46 3.39 1.69 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 0.55 0.00 0.00 0.33 0.00 0.00 337 T 7.66 3.82 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 1.17 0.00 0.00 338 N 7.96 4.34 0.00 2.80 2.80 0.00 0.00 7.15 7.40 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 0.00 339 I 8.00 3.63 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.84 0.00 0.00 340 C 8.18 4.17 0.00 2.94 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 0.00 341 Q 8.11 3.95 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 342 A 7.91 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 343 A 8.04 4.04 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 0.00 344 D 8.26 4.46 0.00 2.89 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 0.00 345 K 8.22 3.79 0.00 1.77 1.98 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 346 Q 8.23 4.19 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 347 L 8.18 4.20 0.00 1.87 1.69 0.66 0.77 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 0.00 348 F 7.82 4.21 0.00 3.07 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 T 7.58 4.67 4.34 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 1.47 0.00 0.00 350 L 8.07 4.12 0.00 2.05 1.78 0.91 1.03 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 0.00 351 V 7.82 3.66 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 1.15 0.00 0.00 0.98 0.00 0.00 352 E 8.16 3.96 0.00 2.30 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 2.32 2.34 0.00 353 W 8.17 4.25 0.00 3.44 3.42 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 0.00 354 A 8.31 2.74 0.70 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 *355 K 8.09 3.97 0.00 1.85 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.37 7.81 356 R 7.28 4.42 0.00 1.79 1.86 0.00 3.14 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 357 I 7.75 3.73 1.59 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.24 0.90 0.00 0.00 358 P 0.00 3.61 0.00 2.23 2.09 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 359 H 8.09 4.85 0.00 3.12 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 F 8.62 4.37 0.00 3.22 3.26 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 0.00 361 S 8.10 4.08 0.00 3.88 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 0.00 362 S 7.59 4.30 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 0.00 363 L 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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 2.63 2.96 0.00 438 L 8.17 4.02 0.00 1.87 1.87 0.96 0.84 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 0.00 439 G 8.72 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 0.00 0.00 0.00 440 C 8.03 4.36 0.00 3.26 3.09 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 0.00 441 L 7.97 3.99 0.00 1.85 1.72 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 442 R 8.40 3.83 0.00 2.17 1.99 0.00 2.98 0.00 0.00 2.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.62 0.00 443 A 8.99 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 I 8.37 3.82 2.16 0.00 0.00 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 1.80 0.93 1.03 0.00 0.00 445 I 7.81 3.86 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.52 0.96 0.00 0.00 446 L 8.09 4.14 0.00 1.62 1.48 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 447 F 7.61 5.17 0.00 3.16 2.96 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 0.00 448 N 7.84 4.86 0.00 3.05 2.79 0.00 0.00 7.07 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 0.00 449 P 0.00 4.45 0.00 2.13 2.14 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 450 D 8.19 4.50 0.00 2.86 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 0.00 451 A 7.94 4.05 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 0.00 452 K 8.58 4.04 0.00 1.80 1.80 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 453 G 8.97 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 0.00 0.00 0.00 454 L 7.22 4.28 0.00 1.81 1.65 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 455 S 9.84 4.14 0.00 3.93 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 0.00 456 N 8.01 4.81 0.00 2.78 2.70 0.00 0.00 7.35 8.88 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 0.00 457 P 0.00 4.30 0.00 2.21 2.10 0.00 3.67 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 2.13 2.16 0.00 458 S 8.33 4.17 0.00 4.03 4.13 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 0.00 459 E 8.25 3.89 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 460 V 7.42 3.67 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 1.12 0.00 0.00 1.04 0.00 0.00 461 E 8.78 3.95 0.00 2.10 2.14 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 2.34 2.39 0.00 462 V 7.91 3.81 2.14 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 1.12 0.00 0.00 0.93 0.00 0.00 463 L 7.65 3.70 0.00 1.10 0.23 0.35 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 0.00 464 R 7.86 4.28 0.00 2.32 2.51 0.00 2.97 0.00 0.00 3.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 465 E 8.05 2.54 0.00 1.83 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 2.41 2.35 0.00 466 K 7.46 3.82 0.00 1.89 1.80 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 467 V 7.45 3.65 2.39 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 1.31 0.00 0.00 1.30 0.00 0.00 468 Y 8.07 4.57 0.00 3.59 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 A 7.38 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 470 S 8.17 4.10 0.00 4.05 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 0.00 471 L 8.37 4.06 0.00 2.01 2.03 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 472 E 8.00 3.35 0.00 1.16 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 1.96 1.64 0.00 473 T 7.88 3.75 4.46 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 1.24 0.00 0.00 474 Y 8.51 4.15 0.00 3.04 3.26 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 0.00 475 C 8.57 4.31 0.00 3.30 3.15 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 0.00 476 K 7.77 4.08 0.00 1.97 1.84 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 477 Q 7.86 4.00 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 478 K 7.69 3.67 0.00 0.86 0.74 0.00 1.51 0.00 0.00 1.26 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.96 7.81 479 Y 7.45 4.86 0.00 3.21 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 480 P 0.00 4.34 0.00 2.16 2.25 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 481 E 8.25 3.97 0.00 1.97 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 2.31 2.35 0.00 482 Q 7.85 4.40 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 *483 Q 8.51 4.16 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 484 G 7.92 4.06 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 0.00 485 R 7.88 3.86 0.00 1.98 2.12 0.00 2.92 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 486 F 8.39 4.31 0.00 3.14 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 0.00 487 A 8.03 3.49 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 0.00 488 K 7.84 3.68 0.00 1.87 2.04 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 489 L 8.18 4.06 0.00 1.87 1.67 1.09 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 490 L 7.54 3.91 0.00 1.52 1.47 0.20 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 491 L 7.82 4.23 0.00 1.66 1.64 0.85 0.98 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 0.00 492 R 7.86 4.33 0.00 1.93 1.87 0.00 3.22 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 493 L 7.91 3.97 0.00 1.73 1.66 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 494 P 0.00 4.19 0.00 2.21 2.26 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 495 A 7.85 3.95 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 0.00 496 L 7.66 3.86 0.00 1.81 1.60 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 497 R 8.04 3.81 0.00 1.95 2.10 0.00 3.13 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 1.60 1.65 0.00 498 S 8.17 4.07 0.00 4.07 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 0.00 499 I 7.84 3.72 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.85 0.00 0.00 500 G 8.12 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 L 7.84 4.02 0.00 1.85 1.76 0.93 0.63 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 0.00 502 K 8.26 4.00 0.00 2.11 1.89 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 503 C 8.53 4.03 0.00 3.00 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 0.00 504 L 8.09 4.05 0.00 1.99 1.86 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 505 E 8.26 4.28 0.00 2.37 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 2.43 2.59 0.00 506 H 8.58 4.23 0.00 3.52 3.70 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 L 8.56 4.22 0.00 1.93 1.73 1.15 1.27 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 0.00 508 F 8.46 4.11 0.00 3.45 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 0.00 509 F 8.39 4.15 0.00 3.01 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 0.00 510 F 8.53 4.14 0.00 3.29 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 0.00 511 K 8.02 4.14 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 512 L 8.17 4.35 0.00 1.75 1.95 0.85 1.07 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 0.00 513 I 7.65 4.11 1.67 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.32 0.00 0.00 514 G 7.49 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 0.00 0.00 0.00 515 D 8.63 4.47 0.00 2.75 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 0.00 516 T 7.21 4.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 517 P 0.00 4.29 0.00 2.28 2.37 0.00 3.70 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 2.07 2.05 0.00 518 I 7.39 3.77 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 1.38 0.69 0.91 0.00 0.00 519 D 8.17 4.73 0.00 2.77 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 0.00 520 T 8.05 4.32 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 *521 F 8.40 3.80 0.00 2.30 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 0.00 0.00 0.00 522 L 6.28 4.31 0.00 1.70 1.48 0.92 0.86 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 * Residues marked with a * may have inaccurate shift predictions.