NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 N 4.6487 8.2785 119.2066 53.2165 40.2605 174.8180 531 A 3.8085 8.6863 128.1404 54.7253 18.5306 177.6912 532 A 3.9325 8.4337 120.7204 55.2249 18.9631 177.9256 533 A 3.9385 8.9803 119.5527 55.5043 18.5264 179.7799 534 E 3.9618 8.4518 117.2488 59.3421 29.4590 179.6693 535 R 4.0121 8.2566 119.0424 59.5871 30.2648 178.8608 536 V 3.5692 7.7958 117.9173 65.7316 31.4702 177.9971 537 S 4.0520 8.2691 113.0058 61.2370 62.2759 175.9917 538 A 4.0206 8.0922 123.5396 54.9015 18.1008 179.5561 539 K 2.8984 7.8140 118.0691 59.4526 32.1106 178.7716 540 N 4.2709 8.5355 116.8375 56.3259 38.4162 177.2905 541 A 4.0282 8.0895 122.2129 54.8119 18.4692 179.5243 542 L 3.8961 7.8996 118.9089 58.2247 42.2781 178.6759 543 E 4.0685 8.3024 119.2556 59.5756 29.5568 178.7296 544 S 4.2478 8.3675 115.3045 61.9491 62.7173 176.2758 545 Y 3.9292 7.9788 120.3244 60.6060 38.6748 177.4845 546 A 4.2075 8.0045 120.2680 55.4299 18.8151 179.3909 547 F 4.2604 8.3194 116.2528 60.4679 38.9384 178.1475 548 N 4.2464 8.4954 113.0627 53.9884 37.8849 176.9802 *550 K 4.2230 7.9526 121.7621 56.6495 34.0657 178.3366 551 S 4.0954 8.0821 111.6437 61.0945 62.6105 175.2164 552 A 4.1127 8.1745 122.8084 55.1162 18.4356 178.5903 553 V 3.7563 8.0208 114.2088 66.2212 31.5818 177.2618 554 E 4.5304 7.5789 117.5722 56.9698 29.6489 176.7299 555 D 4.4784 7.9442 117.4926 55.4256 43.6901 175.1725 *561 K 3.9917 7.7350 119.5175 56.1413 31.8444 174.2316 562 I 4.3285 7.5359 117.7701 57.9152 40.1597 175.7332 563 S 4.1740 8.3646 114.1370 59.0308 62.2416 174.4234 564 E 4.1211 8.6484 123.4381 58.0171 29.5200 178.5040 565 A 4.2411 7.8376 120.6364 55.0464 18.7804 178.8732 566 D 4.3056 8.3885 117.7685 57.4412 40.9092 178.9301 567 K 3.8430 7.6961 118.6700 59.7801 32.1117 179.2705 568 K 4.1421 7.5975 119.6121 59.4770 31.9365 178.0023 569 K 3.8893 8.0419 120.4186 59.0924 32.0084 178.4305 570 V 3.5882 8.2944 118.0071 66.3530 31.5893 178.3974 571 L 3.9885 8.4801 118.5702 58.0798 41.4773 179.4076 572 D 4.3621 8.3540 118.8918 57.1100 40.7360 178.7604 573 K 3.9506 8.3835 120.5500 59.4978 32.1418 178.6562 574 C 4.0721 8.1886 117.0817 63.1340 28.0634 176.2267 575 Q 4.0790 8.0773 119.2552 58.2809 28.1767 178.2780 576 E 3.9235 8.0993 120.7875 59.2927 29.6728 179.0078 577 V 3.6500 7.8965 118.2485 66.1697 31.5956 177.9990 578 I 3.7642 8.1579 120.0012 64.3499 36.7410 178.4619 579 S 4.1054 8.3908 114.1597 61.0980 62.0705 175.7988 580 W 4.1621 8.4194 130.3040 60.5727 30.6099 177.3155 581 L 4.1402 8.7837 120.6315 58.2186 41.3501 178.3544 582 D 4.2956 8.0315 116.9084 57.1809 41.2542 177.5363 583 A 4.2302 7.4846 119.0292 53.0312 19.1996 176.8975 584 N 4.7507 7.8768 115.8875 52.4899 39.7579 176.9484 585 T 4.0228 8.2006 116.6036 66.2468 68.8095 175.3534 586 L 4.6413 7.6265 118.9454 54.2996 42.0288 176.3311 587 A 4.0885 7.6191 121.8768 51.5777 19.1617 178.1840 588 E 4.2708 8.7886 119.3428 55.6204 30.5635 178.4935 589 K 4.1247 8.8626 121.4260 60.3031 32.0378 178.7179 590 D 4.3245 8.0903 118.3401 57.3560 40.7172 178.5306 591 E 3.9867 8.0111 118.7182 59.3849 29.4718 179.3643 592 F 4.5468 7.8416 117.3860 60.6220 38.9646 177.4628 593 E 3.9730 8.3138 118.2815 59.6656 29.2703 178.9360 594 H 4.1275 8.2298 116.5990 58.8702 28.7740 177.7582 595 K 3.5779 7.7787 121.2402 59.1400 31.8399 178.7120 596 R 3.6529 7.9196 118.9543 59.5223 30.0616 178.7015 597 K 4.0598 8.1968 118.3109 59.2813 31.4080 179.3180 598 E 3.8267 7.8926 119.0422 59.2708 29.4361 178.9846 599 L 3.8730 7.6311 120.3236 58.1948 42.0262 178.7656 600 E 3.8425 8.2105 118.8845 59.3568 29.1126 178.9512 601 Q 3.8846 7.6681 118.6010 59.3308 29.1115 178.5691 602 V 3.7461 7.2327 117.2141 66.1064 31.9493 177.4144 603 C 4.3962 8.1936 116.1308 62.2461 28.1211 175.6189 604 N 4.4196 8.9452 118.7834 55.9950 38.1825 175.5516 605 P 4.3047 0.0000 0.0000 65.1382 31.3029 178.6287 606 I 3.7230 7.6985 117.6410 64.5598 37.4510 177.9722 607 I 3.9335 7.7535 120.4831 64.6399 36.9323 178.7819 608 S 4.3922 8.5658 116.2871 61.4228 62.1789 176.7979 609 G 3.8141 8.1092 108.0274 47.7578 0.0000 175.5403 610 L 3.7982 8.1665 120.8086 56.7584 41.4063 177.7729 611 Y 4.6570 7.8841 113.9622 57.8626 38.8425 176.8841 612 Q 4.3698 7.8270 118.5939 57.0258 29.0496 177.0608 613 G 3.8832 7.5023 105.5963 45.7369 0.0000 173.3015 614 A 4.1017 7.6246 127.1725 52.6689 20.0763 175.7410 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 2.78 0.00 0.00 6.96 6.93 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 0.00 531 A 8.69 3.81 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 8.43 3.93 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 0.00 533 A 8.98 3.94 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 0.00 534 E 8.45 3.96 0.00 2.05 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 2.50 0.00 535 R 8.26 4.01 0.00 2.10 2.13 0.00 3.45 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 1.98 1.93 0.00 536 V 7.80 3.57 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 0.75 0.00 0.00 0.98 0.00 0.00 537 S 8.27 4.05 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.02 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 0.00 539 K 7.81 2.90 0.00 0.81 1.57 0.00 1.51 0.00 0.00 1.33 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.14 0.68 7.81 540 N 8.54 4.27 0.00 2.88 2.84 0.00 0.00 6.97 7.29 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 0.00 541 A 8.09 4.03 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 0.00 0.00 0.00 0.00 0.00 542 L 7.90 3.90 0.00 1.86 1.89 0.89 1.19 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 0.00 543 E 8.30 4.07 0.00 2.23 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 2.58 2.69 0.00 544 S 8.37 4.25 0.00 4.17 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 0.00 545 Y 7.98 3.93 0.00 3.20 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 0.00 546 A 8.00 4.21 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 0.00 547 F 8.32 4.26 0.00 3.18 3.14 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 0.00 548 N 8.50 4.25 0.00 2.73 2.77 0.00 0.00 6.97 7.24 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 *550 K 7.95 4.22 0.00 2.13 1.93 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.39 7.81 551 S 8.08 4.10 0.00 3.90 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 0.00 552 A 8.17 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 V 8.02 3.76 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 0.84 0.00 0.00 0.94 0.00 0.00 554 E 7.58 4.53 0.00 1.96 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 2.32 2.41 0.00 555 D 7.94 4.48 0.00 2.63 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.99 0.00 1.75 1.77 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 562 I 7.54 4.33 1.87 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 1.30 0.79 0.91 0.00 0.00 563 S 8.36 4.17 0.00 3.87 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 0.00 564 E 8.65 4.12 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 2.36 2.43 0.00 565 A 7.84 4.24 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 8.39 4.31 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.84 0.00 1.94 1.88 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 568 K 7.60 4.14 0.00 1.94 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.60 7.81 569 K 8.04 3.89 0.00 2.05 1.79 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 570 V 8.29 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 571 L 8.48 3.99 0.00 1.86 1.71 0.92 1.11 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 0.00 572 D 8.35 4.36 0.00 2.89 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 8.38 3.95 0.00 1.84 1.79 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.48 7.81 574 C 8.19 4.07 0.00 3.18 2.87 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 0.00 575 Q 8.08 4.08 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 576 E 8.10 3.92 0.00 2.13 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 0.00 2.35 2.47 0.00 577 V 7.90 3.65 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 1.10 0.00 0.00 0.84 0.00 0.00 578 I 8.16 3.76 1.78 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 0.89 0.10 0.94 0.00 0.00 579 S 8.39 4.11 0.00 4.07 4.03 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 0.00 580 W 8.42 4.16 0.00 3.34 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 0.00 581 L 8.78 4.14 0.00 2.24 1.98 1.26 1.15 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 0.00 582 D 8.03 4.30 0.00 2.90 2.79 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 0.00 583 A 7.48 4.23 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 N 7.88 4.75 0.00 1.44 1.83 0.00 0.00 6.86 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 0.00 585 T 8.20 4.02 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 1.24 0.00 0.00 586 L 7.63 4.64 0.00 1.60 1.65 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 587 A 7.62 4.09 0.79 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 0.00 588 E 8.79 4.27 0.00 2.02 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 2.40 2.37 0.00 589 K 8.86 4.12 0.00 1.90 1.87 0.00 2.05 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.66 7.81 590 D 8.09 4.32 0.00 2.71 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 0.00 591 E 8.01 3.99 0.00 2.03 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 0.00 2.38 2.33 0.00 592 F 7.84 4.55 0.00 3.31 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 0.00 593 E 8.31 3.97 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 594 H 8.23 4.13 0.00 3.04 3.23 0.00 5.62 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 0.00 595 K 7.78 3.58 0.00 1.19 1.42 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.59 0.99 7.81 596 R 7.92 3.65 0.00 2.04 1.93 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.59 0.00 597 K 8.20 4.06 0.00 1.90 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.61 7.81 598 E 7.89 3.83 0.00 2.05 1.88 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 2.23 2.34 0.00 599 L 7.63 3.87 0.00 1.62 1.51 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 600 E 8.21 3.84 0.00 2.01 2.10 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 1.85 1.93 0.00 601 Q 7.67 3.88 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 602 V 7.23 3.75 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 0.90 0.00 0.00 0.91 0.00 0.00 603 C 8.19 4.40 0.00 3.27 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 0.00 604 N 8.95 4.42 0.00 2.85 2.91 0.00 0.00 6.92 8.69 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 0.00 605 P 0.00 4.30 0.00 2.17 2.10 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 606 I 7.70 3.72 2.07 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 1.66 0.36 0.93 0.00 0.00 607 I 7.75 3.93 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 1.02 0.00 0.00 608 S 8.57 4.39 0.00 4.04 4.11 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 0.00 609 G 8.11 3.81 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 0.00 0.00 0.00 610 L 8.17 3.80 0.00 1.66 1.50 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.88 4.66 0.00 2.88 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 Q 7.83 4.37 0.00 1.88 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 613 G 7.50 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 0.00 614 A 7.62 4.10 1.15 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.