NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.3124 0.0000 0.0000 62.6013 31.5473 175.0021 545 L 4.3644 8.3638 126.0744 51.7119 43.5138 174.8749 546 T 4.5794 8.4668 118.3347 59.8804 73.3914 174.7412 547 A 4.0125 8.3477 122.9074 55.4247 18.4349 180.2281 548 S 4.0497 8.0007 113.1610 61.8814 62.7956 176.1575 549 M 3.9622 7.5306 119.9680 58.6306 32.1027 178.3787 550 L 4.0735 8.0605 119.5488 58.2409 42.1793 178.9150 551 A 4.0669 8.0230 118.9442 54.3947 18.3315 177.9632 552 S 4.3482 7.6595 109.8217 58.6798 63.1531 174.1572 553 A 4.3838 7.5970 122.4759 50.8737 19.3240 175.4160 554 P 4.4442 0.0000 0.0000 61.8242 32.3762 176.4489 555 P 4.6195 0.0000 0.0000 64.8682 31.3982 177.9867 556 Q 4.3286 8.0178 113.5948 57.0619 29.2223 176.4819 557 E 4.5271 8.3397 118.4799 56.6979 30.5395 177.8463 558 Q 3.9676 7.6004 117.9103 58.8805 28.7453 178.6388 559 K 4.0249 8.0044 118.8870 59.4843 32.0697 178.7160 560 Q 3.9787 8.1228 119.1993 59.7145 28.7962 178.2991 561 M 4.0410 8.5019 119.7316 58.5224 31.9473 178.8871 562 L 4.0955 8.0474 119.1140 57.5641 41.7966 179.4271 563 G 3.7940 8.7729 106.5509 48.2156 0.0000 175.4236 564 E 3.9992 8.3120 120.0518 59.0301 29.4838 179.2337 565 R 4.2472 7.6609 117.3315 58.5279 30.3421 179.0189 566 L 4.0030 8.2370 118.9523 57.7440 41.6260 178.8409 567 F 4.0069 8.3899 120.8322 61.3982 39.2713 175.8249 568 P 3.9091 0.0000 0.0000 65.1329 30.7714 178.7709 569 L 3.9191 7.2913 117.6997 57.8812 41.6059 179.6221 570 I 3.6701 7.8185 119.8498 64.3972 36.8322 178.2352 571 Q 3.7032 8.1325 119.6062 59.0399 28.7295 178.0575 572 A 4.0543 7.6447 121.1530 55.2819 18.4593 179.1471 573 M 4.2862 7.4452 115.8501 57.4669 33.0809 177.0745 574 H 4.8205 8.2228 115.8196 53.4998 31.3256 171.7342 575 P 4.3286 0.0000 0.0000 65.6545 31.6974 178.0679 576 T 4.1202 7.8900 106.1881 64.1185 69.3922 175.7488 577 L 4.5092 7.7933 119.7830 54.2523 41.7973 178.0526 578 A 3.9968 7.6538 122.6890 55.2193 18.3016 180.5348 579 G 3.8339 8.2930 103.6098 48.0830 0.0000 175.6644 580 K 3.9969 8.0434 120.8555 59.2462 32.1370 179.3591 581 I 3.7272 8.1671 120.3374 64.6868 36.9184 178.7630 582 T 4.0038 8.2828 116.7580 66.4511 68.0996 176.6915 583 G 3.8579 7.9662 106.5530 48.3370 0.0000 175.2695 584 M 4.2312 8.0857 121.0760 58.1275 32.0813 178.8526 585 L 3.9844 8.1412 119.2528 57.8381 41.6088 179.4609 586 L 4.2615 8.1399 118.0790 57.4262 41.6035 178.7516 587 E 4.0932 8.0990 118.4643 57.6242 29.9114 177.0413 588 I 3.9116 7.4490 119.7928 60.7355 38.0052 176.1031 589 D 4.5095 8.4695 123.1190 53.5762 41.1262 177.2542 590 N 4.3315 8.8027 119.9190 56.5891 38.7362 177.6720 591 S 4.1364 8.0748 115.1043 61.5902 62.9277 176.1010 592 E 3.9671 8.0761 121.7108 58.8909 29.3883 178.6035 593 L 3.9897 7.9807 119.0929 57.8681 41.5145 179.6544 594 L 3.9937 8.0059 118.8540 57.9381 41.5808 178.6262 595 H 4.1602 8.1251 118.0277 59.9827 29.4849 177.1091 596 M 4.0053 7.9627 118.9489 58.2307 31.8230 178.4246 597 L 4.1634 7.9051 118.2539 56.7088 41.8602 178.3418 598 E 4.5350 7.6688 117.1348 56.0804 30.5705 176.0372 599 S 4.5866 7.7911 114.7353 55.4037 64.2417 172.6620 600 P 4.2366 0.0000 0.0000 65.5401 30.9017 178.3627 601 E 3.9173 8.1101 116.7321 59.5674 29.4461 179.1518 602 S 4.0983 8.0537 114.5239 61.7649 62.9080 176.4975 603 L 3.9236 7.7451 122.3600 58.1493 41.7378 179.0468 604 R 3.9030 7.9360 118.7269 59.3376 29.9015 178.3760 605 S 4.0778 8.3598 113.3162 61.4022 62.4084 176.3934 606 K 3.9922 8.2569 121.2617 59.2734 31.7244 179.4238 607 V 3.5824 8.2242 118.9935 66.2406 31.3545 177.7148 608 D 4.3798 8.2646 118.5210 57.5915 40.6530 178.7758 609 E 3.9366 7.9910 118.6956 59.3028 29.3776 179.3181 610 A 4.0100 8.1539 120.9549 54.9440 18.5638 179.7944 611 V 3.4398 8.1084 117.0737 66.1535 31.3556 178.1778 612 A 4.0164 7.9622 119.6440 54.8403 18.2084 179.4534 613 V 3.6720 7.4660 116.1723 66.3965 31.7685 178.2166 614 L 4.0033 7.7071 116.8240 56.4130 41.4441 177.3082 615 Q 4.1998 7.6796 121.7239 55.9680 29.3314 172.9669 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 544 P 0.00 4.31 0.00 2.18 2.19 0.00 3.44 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 545 L 8.36 4.36 0.00 1.69 1.60 0.93 0.69 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 0.00 546 T 8.47 4.58 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 1.22 0.00 0.00 547 A 8.35 4.01 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 0.00 548 S 8.00 4.05 0.00 3.88 3.92 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 0.00 0.00 0.00 549 M 7.53 3.96 0.00 1.96 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 550 L 8.06 4.07 0.00 1.86 1.66 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 551 A 8.02 4.07 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 0.00 552 S 7.66 4.35 0.00 3.87 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 0.00 553 A 7.60 4.38 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 0.00 554 P 0.00 4.44 0.00 2.19 2.03 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 555 P 0.00 4.62 0.00 2.17 2.10 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 556 Q 8.02 4.33 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 557 E 8.34 4.53 0.00 2.12 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 2.23 2.31 0.00 558 Q 7.60 3.97 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 559 K 8.00 4.02 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.45 7.81 560 Q 8.12 3.98 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 561 M 8.50 4.04 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 562 L 8.05 4.10 0.00 1.83 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 563 G 8.77 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 0.00 564 E 8.31 4.00 0.00 2.18 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 2.34 2.48 0.00 565 R 7.66 4.25 0.00 1.97 1.98 0.00 3.30 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 566 L 8.24 4.00 0.00 1.75 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 567 F 8.39 4.01 0.00 3.24 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 0.00 568 P 0.00 3.91 0.00 2.21 2.12 0.00 3.83 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 569 L 7.29 3.92 0.00 1.86 1.68 0.92 0.74 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 0.00 570 I 7.82 3.67 1.86 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 1.39 0.95 0.85 0.00 0.00 571 Q 8.13 3.70 0.00 1.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 572 A 7.64 4.05 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 0.00 573 M 7.45 4.29 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 574 H 8.22 4.82 0.00 3.11 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.33 0.00 2.02 2.12 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 576 T 7.89 4.12 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 1.22 0.00 0.00 577 L 7.79 4.51 0.00 1.68 1.68 0.90 0.99 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 0.00 578 A 7.65 4.00 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 0.00 579 G 8.29 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 K 8.04 4.00 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.55 7.81 581 I 8.17 3.73 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.90 0.00 0.00 582 T 8.28 4.00 4.42 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 1.35 0.00 0.00 583 G 7.97 3.86 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 0.00 0.00 0.00 584 M 8.09 4.23 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 585 L 8.14 3.98 0.00 1.86 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 586 L 8.14 4.26 0.00 1.77 1.76 0.94 0.83 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 0.00 587 E 8.10 4.09 0.00 2.10 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 2.39 0.00 588 I 7.45 3.91 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 1.36 0.66 0.92 0.00 0.00 589 D 8.47 4.51 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 N 8.80 4.33 0.00 2.76 2.92 0.00 0.00 6.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 S 8.07 4.14 0.00 4.05 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 0.00 592 E 8.08 3.97 0.00 2.22 2.23 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 2.32 2.42 0.00 593 L 7.98 3.99 0.00 2.02 1.73 0.96 0.76 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 0.00 594 L 8.01 3.99 0.00 1.91 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 595 H 8.13 4.16 0.00 3.24 3.55 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 M 7.96 4.01 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 597 L 7.91 4.16 0.00 1.80 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 598 E 7.67 4.53 0.00 2.08 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 0.00 2.49 2.35 0.00 599 S 7.79 4.59 0.00 3.93 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 0.00 600 P 0.00 4.24 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 601 E 8.11 3.92 0.00 1.96 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 2.39 2.35 0.00 602 S 8.05 4.10 0.00 3.91 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 0.00 603 L 7.75 3.92 0.00 1.96 1.81 0.92 0.67 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 0.00 604 R 7.94 3.90 0.00 2.05 2.05 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 605 S 8.36 4.08 0.00 3.91 4.02 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 0.00 0.00 0.00 606 K 8.26 3.99 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.59 7.81 607 V 8.22 3.58 2.26 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 1.13 0.00 0.00 0.95 0.00 0.00 608 D 8.26 4.38 0.00 2.87 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 0.00 609 E 7.99 3.94 0.00 2.11 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 2.33 2.53 0.00 610 A 8.15 4.01 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 0.00 611 V 8.11 3.44 2.24 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 0.96 0.00 0.00 0.71 0.00 0.00 612 A 7.96 4.02 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 0.00 613 V 7.47 3.67 2.23 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 0.86 0.00 0.00 0.93 0.00 0.00 614 L 7.71 4.00 0.00 1.79 1.71 0.90 0.94 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 0.00 615 Q 7.68 4.20 0.00 2.12 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00