NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 N 4.6508 8.2785 119.2071 53.1581 39.6099 174.6016 531 A 3.8501 8.5797 129.2594 54.6636 18.4585 177.3756 532 A 3.9437 8.4536 120.7486 55.2573 18.9803 177.9845 533 A 3.9569 8.2349 119.2536 55.3852 18.4715 179.7060 534 E 3.9501 8.2670 117.1797 59.4252 29.3967 179.6553 535 R 4.0012 8.0732 118.8238 59.5827 30.1635 178.8311 536 V 3.5118 7.7775 117.9622 65.9388 31.4635 177.9659 537 S 4.0625 8.3322 112.9279 61.0624 62.2367 176.0246 538 A 3.9800 8.0836 123.6761 54.8956 18.1802 179.3680 539 K 2.9234 7.9484 118.3823 59.5954 32.0343 178.7689 540 N 4.3205 8.3650 116.7053 56.1104 38.3882 177.3531 541 A 4.0129 7.9670 122.3350 54.9779 18.4749 179.4655 542 L 3.8986 7.9936 118.8872 58.2896 42.2211 178.8416 543 E 4.0680 8.3539 119.2919 59.4153 29.5807 178.9227 544 S 4.2441 8.5049 115.5754 61.7012 62.6843 176.0441 545 Y 3.8146 7.9535 120.7573 60.5693 38.6865 177.4930 546 A 4.1879 7.8602 120.1841 55.5652 18.8058 179.4453 547 F 4.3054 8.2097 116.0448 60.4016 38.8839 177.3361 548 N 4.3688 8.5192 114.4061 53.7004 37.9373 176.8060 *550 K 4.1639 7.9231 123.0981 56.5760 33.8972 177.8588 551 S 4.0870 8.0440 111.5348 61.1450 62.4766 175.1696 552 A 4.1301 8.0537 122.6662 54.9300 18.1566 178.7541 553 V 3.8980 7.6399 106.9250 62.8655 32.4991 176.8644 554 E 4.2431 7.4149 122.0094 54.8871 27.6044 176.5155 *560 G 3.8501 7.6662 105.5625 45.2360 0.0000 171.7211 561 K 4.3889 8.2071 119.6807 55.7576 33.5228 176.4129 562 I 4.6076 7.2796 110.6531 57.8558 40.6427 175.5985 563 S 4.2030 8.4318 115.1361 58.9755 63.9065 174.9421 564 E 4.0521 8.6981 125.5868 58.6849 29.6195 178.8817 565 A 4.0534 7.8897 120.7731 55.0056 18.6771 179.1015 566 D 4.3052 8.4134 117.8178 57.3471 40.8490 178.8483 567 K 3.9313 8.0770 120.2222 59.4077 32.2031 178.7819 568 K 3.9513 7.8449 119.9078 59.2482 32.0663 178.9975 569 K 3.9583 7.9826 118.6281 59.3439 31.9631 179.4288 570 V 3.5509 7.7504 118.3565 66.1078 31.4796 177.9359 571 L 3.9611 8.0524 118.7354 57.9511 41.4542 179.3894 572 D 4.3207 8.1444 118.6656 57.3279 40.8241 178.8304 573 K 3.9642 8.0780 120.1289 59.4032 32.1210 178.4223 574 C 4.0010 8.6975 117.5088 63.1749 28.0563 176.3406 575 Q 3.9321 8.2304 119.3637 58.8261 28.2640 178.2390 576 E 3.9453 8.2800 120.3958 59.4165 29.5556 179.1786 577 V 3.6992 7.9153 118.1252 66.0850 31.5757 178.0236 578 I 3.7105 8.0912 120.0309 64.4970 36.7246 178.4067 579 S 4.1560 8.3385 114.1350 60.9589 62.2704 175.9515 580 W 4.0580 8.7990 131.7377 60.3096 30.2081 177.7927 581 L 4.0537 8.4418 119.9147 58.1787 41.6864 178.0961 582 D 4.4286 8.3034 116.9334 56.7163 41.1993 177.2204 583 A 4.3987 7.3102 118.9098 52.0096 20.0141 176.5948 584 N 4.7091 7.3867 115.5623 52.7065 39.4049 176.5941 585 T 4.0922 8.0490 113.7282 64.3709 67.8559 174.0831 586 L 4.6731 7.6445 119.8845 54.4265 42.1473 176.3275 587 A 4.1556 7.5452 121.8637 51.3260 19.2812 177.9960 588 E 4.3128 8.9979 119.4733 55.5173 30.7077 178.3569 589 K 4.0789 8.9199 121.4208 60.4155 32.0127 178.6747 590 D 4.4364 8.1522 118.1509 57.3951 40.6970 178.6023 591 E 3.9763 8.0105 118.9560 59.3608 29.4648 179.3092 592 F 4.5258 7.9576 117.4166 60.4637 38.9411 177.5312 593 E 3.9724 8.4833 118.4728 59.6427 29.3393 178.7407 594 H 3.9755 8.3769 118.4569 59.1592 29.9528 177.2559 595 K 3.5701 7.9123 121.4290 59.1553 31.8214 178.8347 596 R 3.6777 7.9098 119.1822 59.1500 29.9180 178.5535 597 K 3.7754 8.0903 118.5392 59.4466 31.8199 179.0224 598 E 3.7974 7.8316 118.7231 59.2912 29.2642 179.2031 599 L 3.9498 7.5921 120.1539 58.2091 42.1256 178.9414 600 E 3.8703 8.0889 118.5527 59.2432 29.0815 179.2544 601 Q 4.0544 7.9228 117.7368 58.6986 28.7583 178.8338 602 V 3.7382 7.1470 117.0387 66.3239 32.0086 177.7460 603 C 4.3751 8.4370 116.4339 62.3141 27.9346 175.7470 604 N 4.3867 8.6926 118.9819 56.0236 37.9103 175.6068 605 P 4.2780 0.0000 0.0000 65.2478 31.7187 178.5963 606 I 3.8816 7.6884 118.3961 64.4703 37.2498 178.2052 607 I 3.7561 7.9412 120.6489 64.7296 37.1020 178.6909 608 S 4.4244 8.5670 116.1562 61.5790 62.3528 177.0466 609 G 3.6992 7.8672 107.7967 47.6604 0.0000 175.4735 610 L 4.0929 8.0175 121.0630 57.4027 41.4065 178.4008 611 Y 4.2840 7.8044 114.3657 59.4221 38.3596 177.0916 612 Q 4.3439 8.1114 118.1949 57.4013 28.8979 176.2463 613 G 3.7179 7.5466 112.6858 45.5312 0.0000 172.4965 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 530 N 8.28 4.65 0.00 2.75 2.81 0.00 0.00 6.96 7.25 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 0.00 531 A 8.58 3.85 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 0.00 532 A 8.45 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 A 8.23 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 E 8.27 3.95 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 2.35 2.34 0.00 535 R 8.07 4.00 0.00 2.10 2.19 0.00 3.41 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 536 V 7.78 3.51 2.20 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 1.05 0.00 0.00 0.99 0.00 0.00 537 S 8.33 4.06 0.00 3.94 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 0.00 538 A 8.08 3.98 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 0.00 0.00 0.00 0.00 0.00 539 K 7.95 2.92 0.00 0.79 1.60 0.00 1.42 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 0.97 7.81 540 N 8.36 4.32 0.00 2.96 2.84 0.00 0.00 6.97 7.78 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 0.00 541 A 7.97 4.01 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 0.00 542 L 7.99 3.90 0.00 1.83 1.88 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 543 E 8.35 4.07 0.00 2.17 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 0.00 2.54 2.69 0.00 544 S 8.50 4.24 0.00 4.17 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 0.00 545 Y 7.95 3.81 0.00 3.18 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 A 7.86 4.19 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.31 0.00 3.27 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 0.00 548 N 8.52 4.37 0.00 2.70 2.75 0.00 0.00 6.54 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 *550 K 7.92 4.16 0.00 1.78 2.08 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.45 7.81 551 S 8.04 4.09 0.00 3.94 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 A 8.05 4.13 1.31 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 0.00 553 V 7.64 3.90 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 0.74 0.00 0.00 0.99 0.00 0.00 554 E 7.41 4.24 0.00 1.95 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 2.31 2.25 0.00 *560 G 7.67 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 K 8.21 4.39 0.00 1.72 1.83 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.30 7.81 562 I 7.28 4.61 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 1.29 0.67 0.90 0.00 0.00 563 S 8.43 4.20 0.00 3.91 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 0.00 564 E 8.70 4.05 0.00 2.12 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 2.43 0.00 565 A 7.89 4.05 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 0.00 566 D 8.41 4.31 0.00 2.83 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 0.00 567 K 8.08 3.93 0.00 1.84 1.95 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 568 K 7.84 3.95 0.00 1.99 1.95 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 569 K 7.98 3.96 0.00 2.12 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 570 V 7.75 3.55 2.20 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 1.05 0.00 0.00 1.02 0.00 0.00 571 L 8.05 3.96 0.00 1.88 1.71 0.92 0.97 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 0.00 572 D 8.14 4.32 0.00 2.91 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 0.00 573 K 8.08 3.96 0.00 1.94 1.79 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.48 7.81 574 C 8.70 4.00 0.00 3.09 2.89 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 0.00 575 Q 8.23 3.93 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 576 E 8.28 3.95 0.00 2.14 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 0.00 2.35 2.36 0.00 577 V 7.92 3.70 2.29 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 1.10 0.00 0.00 0.91 0.00 0.00 578 I 8.09 3.71 1.93 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.21 0.96 0.00 0.00 579 S 8.34 4.16 0.00 3.93 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 0.00 580 W 8.80 4.06 0.00 3.50 3.37 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 0.00 581 L 8.44 4.05 0.00 2.20 2.05 1.22 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 582 D 8.30 4.43 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 A 7.31 4.40 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 N 7.39 4.71 0.00 1.44 1.94 0.00 0.00 6.49 7.04 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 0.00 585 T 8.05 4.09 4.27 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 1.28 0.00 0.00 586 L 7.64 4.67 0.00 1.63 1.65 0.93 0.80 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 0.00 587 A 7.55 4.16 0.72 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 0.00 0.00 588 E 9.00 4.31 0.00 1.98 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 2.38 2.37 0.00 589 K 8.92 4.08 0.00 1.93 1.89 0.00 1.94 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.67 7.81 590 D 8.15 4.44 0.00 2.72 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 0.00 591 E 8.01 3.98 0.00 1.99 2.16 0.00 0.00 0.00 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 2.31 0.00 592 F 7.96 4.53 0.00 3.30 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 0.00 593 E 8.48 3.97 0.00 2.19 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 2.37 2.58 0.00 594 H 8.38 3.98 0.00 3.28 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 K 7.91 3.57 0.00 1.06 1.39 0.00 1.07 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.01 7.81 596 R 7.91 3.68 0.00 1.95 1.92 0.00 3.08 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 1.44 1.40 0.00 597 K 8.09 3.78 0.00 1.88 1.70 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.44 7.81 598 E 7.83 3.80 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 599 L 7.59 3.95 0.00 1.61 1.53 0.94 1.02 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 0.00 600 E 8.09 3.87 0.00 1.88 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 1.74 1.88 0.00 601 Q 7.92 4.05 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 602 V 7.15 3.74 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 0.83 0.00 0.00 0.90 0.00 0.00 603 C 8.44 4.38 0.00 3.24 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 0.00 604 N 8.69 4.39 0.00 2.87 2.89 0.00 0.00 6.88 7.99 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 0.00 605 P 0.00 4.28 0.00 2.03 2.12 0.00 3.82 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 2.03 2.18 0.00 606 I 7.69 3.88 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.62 0.92 0.00 0.00 607 I 7.94 3.76 1.95 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 1.55 1.14 1.06 0.00 0.00 608 S 8.57 4.42 0.00 4.11 3.97 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 0.00 609 G 7.87 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 0.00 610 L 8.02 4.09 0.00 1.59 1.45 0.83 0.75 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 0.00 611 Y 7.80 4.28 0.00 2.98 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 0.00 612 Q 8.11 4.34 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 613 G 7.55 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.