NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 415 K 4.3372 8.3144 122.1413 54.2381 33.4897 174.3901 416 L 4.6885 8.3393 123.9010 52.6424 45.1887 174.4089 417 T 4.4691 9.3521 123.8098 61.4958 69.8886 172.3064 418 P 4.9864 0.0000 0.0000 61.8845 32.5755 176.1772 419 A 4.5339 8.4231 123.7667 51.3087 19.6772 177.7308 420 Q 4.1176 8.7345 122.3765 58.3069 29.3686 176.9670 421 S 4.7691 7.5312 114.6180 56.9600 66.1078 173.9378 422 K 4.3426 8.3664 123.9989 53.1508 32.4987 177.4431 423 N 4.6876 8.2395 123.2195 51.1231 39.4008 172.8386 424 P 4.2680 0.0000 0.0000 64.0898 31.7681 177.4163 425 A 4.3532 8.8862 121.4332 53.5775 20.0248 177.9414 426 K 4.6480 7.7674 114.9616 55.3479 32.6020 175.4439 427 N 5.6094 7.9498 117.3058 51.7049 43.1948 174.8573 428 E 5.0334 9.4955 122.6507 54.4956 32.8676 174.7255 429 L 4.7874 8.8911 126.5483 53.5861 44.2746 174.4724 430 Y 4.7448 9.0975 125.7104 56.8802 39.8530 174.8125 431 L 4.9030 8.9676 125.4501 53.4382 43.4533 175.6649 432 V 5.4216 8.1863 124.3714 60.2191 34.6216 174.3859 433 E 4.4932 8.7672 128.5785 58.8517 29.9273 174.7663 434 G 4.1156 8.6126 116.2423 44.3649 0.0000 173.4724 435 D 4.3694 9.0806 124.3399 57.4777 40.7388 179.4133 436 S 4.0565 7.9684 114.8143 61.6566 63.0409 176.3871 437 A 4.1155 8.0610 123.1051 55.0118 18.0673 179.4614 438 G 3.7948 8.3564 104.5194 48.0176 0.0000 175.8217 439 G 3.6558 7.9297 107.6929 47.8824 0.0000 175.6214 440 S 4.1014 7.8973 117.8207 61.0969 62.6782 176.9802 441 A 3.9541 8.5093 124.7667 55.5737 18.2119 179.8999 442 K 3.9555 8.0378 121.3786 60.1719 31.7858 180.6354 443 Q 4.6127 8.1415 118.2829 57.5235 29.0891 178.2570 444 G 3.8834 7.7740 111.6397 42.8864 0.0000 172.8359 445 R 4.3242 6.7755 122.1039 55.3109 31.2383 174.3080 446 D 4.2793 7.7821 119.6716 53.1958 40.7161 177.0678 447 R 4.0175 8.3669 126.5096 58.2946 29.8616 179.4226 448 K 4.0426 8.1637 121.3765 57.8823 31.9985 184.2528 449 F 5.3933 7.7971 109.7531 58.3070 39.8211 173.3481 450 Q 5.2029 7.8220 116.8123 54.9195 30.7530 174.4727 451 A 5.0729 9.7451 125.2310 50.3496 22.5088 175.3138 452 I 4.9014 8.6445 119.8850 59.5861 41.1516 174.8582 453 L 5.1324 9.0568 128.2775 52.6081 43.7079 173.3151 454 P 4.7632 0.0000 0.0000 62.2980 33.0191 175.4919 455 L 4.6823 8.8443 121.8487 53.1777 44.3614 175.8791 456 R 4.1772 9.2296 124.0789 55.5632 30.4219 177.7554 457 G 3.8869 8.6303 115.1516 44.0235 0.0000 171.7791 458 K 3.9451 8.4087 117.7757 56.5312 32.4359 177.2738 459 V 3.8266 8.0277 122.8781 61.9124 32.3471 175.7778 460 I 3.5885 8.0228 126.3725 61.6311 37.4999 175.5276 461 N 4.5307 8.5918 123.0599 53.2549 38.6030 175.2046 462 T 4.3882 8.5189 115.4807 62.1747 69.4811 175.9162 463 A 4.3401 8.6343 125.5337 53.3806 19.2021 177.8610 464 K 4.3365 8.0847 115.7393 54.1556 32.6610 174.9448 465 A 4.2621 7.6524 130.3630 51.7130 20.7392 176.5892 466 K 4.5811 8.3876 125.1183 55.3755 35.4437 175.6786 467 M 4.2301 8.3913 114.7347 59.9339 32.1053 177.5029 468 A 3.9333 8.0379 120.6210 55.6010 18.2746 178.9391 469 D 4.3072 8.0555 115.1176 57.6335 41.2238 178.9964 470 I 3.7215 7.3537 119.5256 64.5621 36.9648 178.6594 471 L 4.0529 7.6674 120.5490 57.9501 41.5247 179.6520 472 K 4.2371 7.6956 121.1576 56.5589 32.1798 179.7796 473 N 4.7710 7.6203 119.0759 53.6292 39.9941 175.2823 474 E 3.9326 8.9567 125.6226 59.6472 29.6450 179.2086 475 E 3.8869 8.0703 117.7365 59.4987 29.5307 179.2176 476 I 3.3092 8.6044 122.3854 65.0447 37.1121 178.9030 477 N 4.3413 8.0855 120.1880 57.7090 37.3399 179.1161 478 T 4.1546 8.0564 112.4408 64.7086 68.8466 176.4447 479 M 4.0887 8.0530 121.5441 58.3518 31.9896 178.5994 480 I 3.9488 8.2158 122.3355 65.3895 37.1447 178.6550 *481 Y 4.0728 8.1021 120.4977 62.3723 36.8167 180.1758 482 T 4.3498 8.0873 111.0529 64.7755 68.8084 176.3066 483 I 4.2822 7.8762 121.8636 64.8229 37.4503 176.2986 484 G 4.1047 9.8166 112.6123 43.7319 0.0000 177.7474 485 A 3.5983 6.3025 122.5225 56.7241 21.5221 176.7082 486 G 4.2134 7.2514 101.6660 43.6229 0.0000 175.3551 487 V 5.4377 8.5700 135.0000 62.6324 31.9993 170.4949 *490 D 4.5042 7.2154 119.7879 54.3044 42.2619 176.0096 491 F 4.0898 8.9389 122.9709 60.8757 39.7512 175.8459 492 S 3.7413 7.5840 113.1734 59.4965 62.2553 168.4349 493 I 3.3998 7.5154 117.0306 61.0957 41.1852 172.9214 494 E 4.5806 9.2248 122.1747 57.2368 29.8902 176.4128 *496 A 4.0685 8.3979 125.4642 52.3682 19.6546 175.8092 497 N 4.6001 8.3487 117.4784 54.1557 43.7977 173.5492 498 Y 4.7751 7.9034 113.6874 57.0745 41.9177 174.0799 499 D 5.0859 8.7350 120.3108 54.1776 42.1626 176.2597 500 K 4.8473 7.9279 116.5324 55.8914 36.9868 174.4551 501 I 4.6860 9.1447 126.8032 59.6380 39.6302 174.6068 502 I 4.8347 8.4944 128.8558 59.4190 39.8754 174.8168 503 I 4.6414 8.6562 129.0325 60.3387 38.9059 174.5261 504 M 5.0635 9.4485 127.7454 54.0896 34.8964 174.2515 505 T 4.9933 8.3154 115.3030 59.8998 72.7859 173.0935 506 D 4.4262 9.9099 121.4381 54.5255 41.5895 176.8198 507 A 4.5991 8.2045 127.0893 50.5941 17.2182 175.1273 508 D 4.7764 7.3465 122.0757 50.2949 43.4024 177.2501 509 T 3.8593 8.5526 108.7383 65.3654 68.4624 176.0195 510 D 4.4801 8.2028 121.4040 56.7046 40.9549 178.7663 511 G 3.8094 8.7514 107.6214 47.1272 0.0000 175.5861 512 A 4.0240 8.1040 123.3442 55.1447 18.4181 178.9850 513 H 4.1278 8.5267 117.0597 59.7946 29.9004 177.4759 514 I 3.6852 7.9603 121.3650 64.3509 36.8483 178.4717 515 Q 4.0427 8.2401 118.9927 59.1529 28.4890 178.7033 516 T 3.8469 7.7897 116.5332 66.8591 68.4114 176.5789 517 L 3.9661 7.8065 120.5787 57.6502 41.5166 179.7061 518 L 3.9306 8.0500 118.8873 57.8102 41.6616 179.3366 519 L 4.1821 8.4428 119.6254 58.1447 41.4769 179.6064 520 T 3.9389 8.1613 109.7340 64.8778 68.3989 176.1158 521 F 4.6636 7.8128 124.6709 60.6526 39.5633 176.9791 522 F 3.8346 7.9753 117.5524 60.5649 38.4942 176.8672 523 Y 4.1053 8.3900 118.0628 61.0038 38.6710 178.3497 524 R 3.4842 8.0009 117.5154 58.5723 30.1767 177.6348 525 Y 4.3109 7.3712 114.1870 59.6631 39.4028 177.7209 526 M 3.2645 6.8221 117.8981 54.9386 32.5634 178.6908 527 R 3.6358 7.8121 121.1301 59.4548 29.9243 175.5117 528 P 4.5501 0.0000 0.0000 64.5087 31.2325 178.3038 529 L 3.9862 7.6518 118.3831 58.0611 41.5418 179.8295 530 V 3.4805 7.5386 117.2539 65.9251 31.2342 177.6884 531 E 3.9743 8.0037 117.7880 59.2573 29.0519 178.5497 532 A 4.4300 8.0090 117.3025 51.4875 18.4918 177.2366 533 G 3.7319 7.8774 106.5121 48.1013 0.0000 174.7913 534 H 4.7388 8.4058 116.2094 55.7770 30.5446 175.3363 535 V 4.6874 7.3406 119.7503 61.3377 33.3295 174.0785 536 Y 5.1541 9.3217 125.0639 56.2160 42.1753 174.5081 537 I 5.0839 8.7697 120.7237 59.6646 40.8302 174.9647 538 A 4.7668 8.9064 128.2282 50.9504 20.7360 177.2898 539 L 4.7288 7.9421 119.3677 52.0172 42.2212 174.8385 540 P 4.4401 0.0000 0.0000 61.3420 32.1577 175.0641 541 P 2.9700 0.0000 0.0000 62.3671 31.9313 176.2567 542 L 4.2006 7.7833 119.2271 55.9428 43.1907 176.0330 543 Y 5.3171 7.5440 115.5801 55.9668 42.6585 173.9975 544 K 4.8049 8.6819 123.5670 54.6790 35.6910 174.2406 545 M 5.1512 8.7693 126.9904 53.7350 35.2120 174.5072 546 S 5.9043 8.8780 121.3307 57.0646 67.2075 173.9537 547 K 4.6296 8.5695 127.3482 54.9717 35.7421 173.9721 *549 K 4.2535 8.7199 126.7416 54.3947 34.1997 172.3853 550 G 3.9118 8.3717 111.3782 45.5925 0.0000 175.9778 551 K 4.0153 9.0307 124.7575 58.1524 32.3557 176.9521 552 K 4.4783 7.7332 117.9528 54.7656 31.5672 173.8414 553 E 4.7074 7.9248 123.2096 55.1228 32.2533 174.8295 554 E 4.8992 8.9216 125.8035 54.7014 32.9241 175.1744 555 V 5.8257 8.6221 120.7914 60.8285 35.0289 173.8013 556 A 5.0171 8.4307 126.9124 50.3903 23.0625 174.0285 557 Y 5.1882 8.7820 115.2685 56.2392 41.5747 175.2938 558 A 5.2984 8.8642 123.0398 50.4694 22.6793 176.7488 559 W 4.6241 10.6276 119.3900 56.9814 31.0151 176.6718 560 T 4.9377 7.8579 108.3626 59.1461 72.5577 173.9066 561 D 4.4257 8.8271 121.1306 57.0093 39.2527 179.5575 562 G 3.5464 8.0309 107.2525 47.0746 0.0000 175.0764 563 E 4.0006 8.2014 121.7013 58.8793 29.3916 179.3076 564 L 3.8131 7.9633 122.5750 58.7184 41.6042 179.2214 565 E 3.9601 7.9205 120.3853 61.9754 29.6048 181.1293 566 E 4.2065 8.2183 119.4864 61.1349 29.7064 180.9738 567 L 4.1271 8.1850 122.3882 58.3343 41.5979 180.5666 568 R 4.0029 8.1728 122.9359 62.0536 29.1279 181.4172 569 K 4.3074 7.9040 125.9315 60.2432 31.4738 181.7240 570 Q 4.3127 7.7401 117.2298 58.1989 28.0871 179.7788 571 F 4.1889 9.2993 115.6972 59.7024 39.6324 177.0168 572 G 3.7361 7.7980 109.8331 45.5206 0.0000 175.4873 573 K 4.2572 8.3013 126.4030 55.1194 32.6509 171.8319 574 G 4.2324 8.8648 106.4213 46.1974 0.0000 174.4870 575 A 4.4706 7.3202 120.3897 52.0928 18.9559 177.4108 576 T 4.6164 8.6121 112.6826 59.8725 71.8441 173.1420 577 L 5.0292 8.3642 124.6936 53.4376 44.4785 174.9602 578 Q 4.5519 9.0028 126.9700 54.3209 31.7736 174.3057 579 R 4.5815 8.2652 124.8588 54.4655 31.6193 175.5589 580 Y 4.3147 8.4071 123.5338 58.1776 37.8704 176.6830 581 K 4.2305 10.4319 124.9514 55.9544 32.7011 176.4442 582 G 3.9884 7.3498 107.6818 45.2863 0.0000 174.0860 583 L 3.9398 9.0191 119.3456 57.3428 41.6593 180.3599 584 G 3.7118 8.0472 106.6282 48.2462 0.0000 174.0571 585 E 4.3137 7.8623 117.6633 57.2393 29.9098 176.3170 586 M 4.9964 7.6772 116.4961 53.0669 33.7884 176.6031 587 N 4.7056 9.1145 118.7079 52.7374 41.4454 175.8279 588 A 4.0744 8.3908 121.6215 55.5122 18.9092 179.3044 589 D 4.4194 8.1068 117.2495 56.8704 39.2027 178.6988 590 Q 3.9471 8.1102 118.9221 58.6189 28.8349 178.2303 591 L 3.8478 7.9129 121.2359 58.0068 42.0165 178.7514 592 W 4.1780 8.5300 130.5008 61.1139 30.4925 178.1269 593 E 3.8077 8.5000 117.7547 61.4196 29.2715 180.9108 594 T 4.5624 7.8071 109.2271 63.0577 69.4552 175.5865 595 T 4.7284 7.7830 106.9137 61.2989 71.1337 174.0037 596 M 4.6698 7.6091 119.4744 55.0034 34.7109 175.0182 597 N 3.1400 7.2329 117.6765 51.8169 38.3006 173.2440 598 P 4.1231 0.0000 0.0000 66.5053 31.7006 178.5339 599 E 4.1119 8.1665 113.1807 58.2338 29.6910 180.0921 600 T 4.3951 7.4183 107.0586 61.5546 70.4467 175.1017 601 R 4.0024 7.8145 118.9473 56.0272 30.3400 175.4960 602 T 4.4551 8.1456 113.6146 60.3702 69.7949 172.6452 603 L 5.0870 8.5836 127.8063 53.1444 45.0242 175.6029 604 I 4.5374 8.8747 121.7462 59.7201 39.8365 174.6532 605 R 4.3881 8.4047 125.5823 54.3765 32.1216 174.8720 606 V 4.2219 7.9594 126.9778 61.9148 32.4121 175.2089 607 T 4.6400 8.3920 116.6292 59.6063 71.8022 172.6213 608 I 4.2483 8.3160 124.2842 59.7285 39.9714 175.2818 609 E 4.3814 8.9086 123.8115 57.1690 30.6035 171.6925 610 D 4.7788 9.9872 123.5928 52.5692 41.2257 172.2903 611 L 4.7023 9.7211 116.6506 55.9071 48.4776 178.3566 612 A 4.0283 8.3485 120.0237 55.3134 18.2062 179.4202 613 R 3.8355 8.4517 115.6796 59.4031 30.1099 178.7310 614 A 3.7608 7.9254 119.7161 55.2455 18.3998 178.8828 615 E 3.8952 8.5510 117.9286 59.5673 29.5527 179.2116 616 R 3.8563 8.0998 117.8630 59.2821 30.1781 178.8458 617 R 3.7180 7.7771 118.2054 59.5616 30.0112 178.5939 618 V 3.4131 7.8394 118.2145 66.1379 31.2936 177.7616 619 N 4.3183 8.1452 116.2155 56.0087 38.1430 177.7454 620 V 3.5598 7.7489 119.2275 66.2327 31.7334 177.7399 621 L 3.8451 7.5114 117.5993 57.7217 41.5784 177.9940 622 M 4.2104 8.2006 117.3540 55.8265 32.3202 176.9118 623 G 3.9650 7.4463 111.4786 44.6059 0.0000 174.6584 624 D 4.4697 8.5928 119.9763 56.4226 40.1610 177.0997 625 K 4.0657 7.9838 118.8771 57.7766 31.8725 181.3933 626 V 4.0934 8.1645 129.4741 63.0671 30.6849 172.8505 627 E 4.0608 8.2589 117.5787 61.1617 29.4114 179.8897 628 P 4.5080 0.0000 0.0000 65.2887 31.4613 178.4932 629 R 3.9275 7.9701 117.1886 59.4944 29.9116 178.0779 630 R 3.9617 8.4694 118.7416 59.5069 30.0153 178.3037 631 K 3.9398 8.0537 119.0214 59.2588 32.2189 178.1914 632 W 4.1738 8.9460 129.0499 60.8088 30.6395 178.0026 633 I 3.9561 8.4782 119.7485 64.6360 36.4118 178.2887 634 E 3.9213 8.4114 118.5132 59.4864 29.3012 178.9466 635 D 4.3674 8.3068 118.5597 56.5462 40.9733 177.3936 636 N 4.5645 7.4969 114.6614 53.2382 40.0830 175.7549 637 V 3.6802 7.2151 122.4767 63.7261 31.7899 177.1952 638 K 4.2583 8.3772 130.7443 53.1820 30.1986 170.7291 639 F 4.6185 8.2912 120.7567 56.4688 38.5893 175.8724 640 T 4.0052 8.5261 119.4576 62.2763 67.0877 173.8200 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 415 K 8.31 4.34 0.00 1.79 1.67 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 416 L 8.34 4.69 0.00 1.70 1.56 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 417 T 9.35 4.47 4.25 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 1.21 0.00 0.00 418 P 0.00 4.99 0.00 1.97 2.04 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 419 A 8.42 4.53 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 0.00 420 Q 8.73 4.12 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 421 S 7.53 4.77 0.00 4.06 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 0.00 422 K 8.37 4.34 0.00 1.76 1.60 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 0.97 7.81 423 N 8.24 4.69 0.00 2.73 2.69 0.00 0.00 7.18 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 0.00 424 P 0.00 4.27 0.00 2.06 2.07 0.00 3.69 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 1.99 2.03 0.00 425 A 8.89 4.35 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 K 7.77 4.65 0.00 1.52 1.55 0.00 1.44 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.86 1.05 7.81 427 N 7.95 5.61 0.00 2.91 2.71 0.00 0.00 6.80 7.66 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 0.00 428 E 9.50 5.03 0.00 2.19 1.96 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 2.42 2.71 0.00 429 L 8.89 4.79 0.00 0.45 1.12 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 430 Y 9.10 4.74 0.00 2.99 2.88 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 0.00 431 L 8.97 4.90 0.00 1.66 1.67 1.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 432 V 8.19 5.42 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 0.94 0.00 0.00 1.03 0.00 0.00 433 E 8.77 4.49 0.00 2.03 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 2.25 2.31 0.00 434 G 8.61 4.12 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 0.00 0.00 0.00 435 D 9.08 4.37 0.00 2.70 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 0.00 436 S 7.97 4.06 0.00 3.87 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 0.00 437 A 8.06 4.12 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 0.00 438 G 8.36 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 G 7.93 3.66 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 0.00 0.00 0.00 440 S 7.90 4.10 0.00 3.99 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 0.00 441 A 8.51 3.95 1.24 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 0.00 0.00 0.00 442 K 8.04 3.96 0.00 1.84 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.37 7.81 443 Q 8.14 4.61 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 444 G 7.77 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 0.00 445 R 6.78 4.32 0.00 1.75 2.01 0.00 3.04 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.24 0.00 446 D 7.78 4.28 0.00 2.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.99 2.12 0.00 455 L 8.84 4.68 0.00 1.57 1.57 0.94 0.88 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 0.00 456 R 9.23 4.18 0.00 1.66 1.89 0.00 3.57 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 457 G 8.63 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 K 8.41 3.95 0.00 1.74 1.74 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 459 V 8.03 3.83 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 0.65 0.00 0.00 0.87 0.00 0.00 460 I 8.02 3.59 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.85 0.00 0.00 461 N 8.59 4.53 0.00 2.71 2.71 0.00 0.00 6.91 7.22 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 0.00 462 T 8.52 4.39 4.63 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 1.19 0.00 0.00 463 A 8.63 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0.00 0.00 0.00 0.00 524 R 8.00 3.48 0.00 1.33 1.28 0.00 3.31 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 525 Y 7.37 4.31 0.00 2.60 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.82 3.26 0.00 1.55 1.90 0.00 0.00 0.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 527 R 7.81 3.64 0.00 1.63 1.70 0.00 3.01 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 528 P 0.00 4.55 0.00 2.43 2.17 0.00 3.31 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.06 0.00 529 L 7.65 3.99 0.00 1.70 1.55 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 530 V 7.54 3.48 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 1.04 0.00 0.00 0.88 0.00 0.00 531 E 8.00 3.97 0.00 2.16 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 2.32 2.32 0.00 532 A 8.01 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0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 541 P 0.00 2.97 0.00 1.68 0.49 0.00 3.33 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 542 L 7.78 4.20 0.00 0.74 1.02 0.97 0.52 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 0.00 543 Y 7.54 5.32 0.00 2.74 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 0.00 544 K 8.68 4.80 0.00 1.73 1.28 0.00 1.42 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.03 0.70 7.81 545 M 8.77 5.15 0.00 1.07 1.37 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.82 0.00 546 S 8.88 5.90 0.00 3.94 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 0.00 547 K 8.57 4.63 0.00 1.43 1.67 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.01 7.81 *549 K 8.72 4.25 0.00 1.79 1.67 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 550 G 8.37 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 0.00 551 K 9.03 4.02 0.00 1.71 1.86 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.50 7.81 552 K 7.73 4.48 0.00 1.86 1.79 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.30 7.81 553 E 7.92 4.71 0.00 2.07 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 2.20 2.31 0.00 554 E 8.92 4.90 0.00 1.76 1.71 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 2.21 2.20 0.00 555 V 8.62 5.83 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 0.55 0.00 0.00 0.98 0.00 0.00 556 A 8.43 5.02 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 0.00 557 Y 8.78 5.19 0.00 2.83 2.53 0.00 0.00 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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4.21 0.00 1.96 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 2.24 0.00 567 L 8.18 4.13 0.00 1.64 1.39 0.79 0.82 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 0.00 568 R 8.17 4.00 0.00 1.81 1.95 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 569 K 7.90 4.31 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.33 7.81 570 Q 7.74 4.31 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 571 F 9.30 4.19 0.00 2.93 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 0.00 572 G 7.80 3.74 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 0.00 0.00 0.00 573 K 8.30 4.26 0.00 1.79 1.61 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 574 G 8.86 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 0.00 0.00 0.00 0.00 575 A 7.32 4.47 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 T 8.61 4.62 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 1.27 0.00 0.00 577 L 8.36 5.03 0.00 1.56 1.52 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 578 Q 9.00 4.55 0.00 1.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 1.80 2.09 0.00 579 R 8.27 4.58 0.00 1.70 1.80 0.00 3.30 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.87 0.00 580 Y 8.41 4.31 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 K 10.43 4.23 0.00 1.75 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.54 7.81 582 G 7.35 3.99 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 2.63 2.53 0.00 591 L 7.91 3.85 0.00 2.00 1.76 0.89 0.87 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 0.00 592 W 8.53 4.18 0.00 3.40 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 E 8.50 3.81 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 594 T 7.81 4.56 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 0.41 0.00 0.00 595 T 7.78 4.73 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 596 M 7.61 4.67 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 597 N 7.23 3.14 0.00 1.44 1.73 0.00 0.00 7.06 7.02 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 0.00 598 P 0.00 4.12 0.00 2.11 2.17 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 599 E 8.17 4.11 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 600 T 7.42 4.40 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 1.14 0.00 0.00 601 R 7.81 4.00 0.00 1.80 1.89 0.00 3.01 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 602 T 8.15 4.46 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 0.58 0.00 0.00 603 L 8.58 5.09 0.00 1.64 1.64 0.65 0.82 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 0.00 604 I 8.87 4.54 1.89 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 1.12 0.81 0.90 0.00 0.00 605 R 8.40 4.39 0.00 1.69 1.65 0.00 3.21 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.00 606 V 7.96 4.22 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 0.78 0.00 0.00 0.86 0.00 0.00 607 T 8.39 4.64 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 1.13 0.00 0.00 608 I 8.32 4.25 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.94 0.00 0.00 609 E 8.91 4.38 0.00 2.00 1.73 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 2.12 1.82 0.00 610 D 9.99 4.78 0.00 2.69 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 0.00 611 L 9.72 4.70 0.00 1.56 1.58 0.99 1.28 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 0.00 612 A 8.35 4.03 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 0.00 613 R 8.45 3.84 0.00 1.82 2.00 0.00 3.32 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.66 0.00 614 A 7.93 3.76 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 0.00 615 E 8.55 3.90 0.00 2.22 2.18 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 2.35 2.45 0.00 616 R 8.10 3.86 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 617 R 7.78 3.72 0.00 1.83 1.96 0.00 3.07 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 618 V 7.84 3.41 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.46 0.00 0.00 619 N 8.15 4.32 0.00 2.96 2.83 0.00 0.00 6.66 7.70 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 0.00 620 V 7.75 3.56 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 0.85 0.00 0.00 0.92 0.00 0.00 621 L 7.51 3.85 0.00 1.42 1.40 0.47 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 622 M 8.20 4.21 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 623 G 7.45 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 0.00 624 D 8.59 4.47 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 K 7.98 4.07 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.99 7.81 626 V 8.16 4.09 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 0.82 0.00 0.00 0.99 0.00 0.00 627 E 8.26 4.06 0.00 2.01 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 2.33 2.02 0.00 628 P 0.00 4.51 0.00 2.18 2.16 0.00 3.68 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 2.13 2.16 0.00 629 R 7.97 3.93 0.00 2.00 2.12 0.00 3.20 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 630 R 8.47 3.96 0.00 1.92 2.18 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 631 K 8.05 3.94 0.00 1.95 1.86 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.46 7.81 632 W 8.95 4.17 0.00 3.53 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 0.00 633 I 8.48 3.96 2.22 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 1.81 1.39 1.21 0.00 0.00 634 E 8.41 3.92 0.00 1.88 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 2.37 2.64 0.00 635 D 8.31 4.37 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 N 7.50 4.56 0.00 1.44 2.01 0.00 0.00 7.01 7.26 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 0.00 637 V 7.22 3.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.17 0.00 0.00 638 K 8.38 4.26 0.00 1.81 1.60 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.01 7.81 639 F 8.29 4.62 0.00 2.97 2.90 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 0.00 0.00 0.00 0.00 640 T 8.53 4.01 4.25 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.