NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 586 M 4.4812 8.3049 120.3531 55.0757 33.9001 175.5032 587 E 4.2589 8.0838 117.6292 55.7190 30.9411 175.3480 588 K 4.0547 7.7383 116.6283 57.5470 34.4733 178.0757 589 S 3.6744 8.3094 113.1683 58.8877 62.1343 171.2807 590 L 4.4009 8.4512 116.7088 54.1801 42.9705 176.5723 591 V 3.6801 8.6818 123.5755 64.5808 31.7124 174.0199 592 D 4.6334 7.8307 118.4246 57.5700 40.7781 178.7670 593 T 3.8782 7.9513 115.9606 66.4229 68.3938 176.4841 594 V 3.4538 7.7339 119.6787 66.3890 31.4808 177.6488 595 Y 3.9833 7.6339 114.6949 60.7391 37.7051 177.9240 596 A 4.0413 8.4654 122.2048 55.2747 18.4939 179.7476 597 L 3.9117 8.4603 117.6836 57.8260 41.7352 179.3837 598 K 3.8280 8.3886 119.9939 59.7294 31.9495 178.4185 599 D 4.3267 8.3331 119.1472 57.3293 40.7452 178.3254 600 E 3.8465 8.1836 119.5592 59.4978 29.6801 178.6650 601 V 3.2744 7.7780 118.2482 66.2629 31.4719 177.6605 602 Q 3.9254 7.8437 118.5039 59.2287 28.9624 177.9151 603 E 4.1793 7.9645 121.4798 58.6639 29.7885 178.5258 604 L 3.9399 8.6720 120.0491 58.0278 41.6244 179.6028 605 R 3.8936 8.2683 118.6033 59.5586 30.0041 178.3361 606 Q 4.0153 7.9900 117.4967 59.1141 28.5866 178.8602 607 D 4.4211 8.0793 119.6084 57.6726 40.9034 178.3474 608 N 4.2346 8.0148 116.4932 56.5806 38.4743 177.6357 609 K 3.9966 7.8594 119.7812 59.4470 32.1181 179.6277 610 K 4.0486 7.7090 118.4911 59.5645 31.8376 179.4890 611 M 4.0671 8.3918 119.4566 58.2239 31.8330 178.7276 612 K 3.5525 8.4642 120.1710 59.0105 32.3504 178.9058 613 K 3.9674 7.9741 120.1896 59.5272 32.1899 178.8576 614 S 4.0655 8.3831 115.6939 61.5717 62.7958 176.1881 615 L 3.8934 8.5576 123.8984 58.7293 41.2340 179.1519 616 E 3.9878 7.9632 118.0758 59.3584 29.4285 179.2718 617 E 4.0228 8.0661 118.6961 59.0177 29.3932 178.9293 618 E 3.8794 8.5858 119.9095 59.4744 29.6938 178.5804 619 Q 3.4892 8.2238 119.5351 59.1418 28.8109 178.5124 620 R 3.9598 7.6409 118.6641 58.9079 30.1448 178.2281 621 A 4.0910 7.7901 120.2113 55.1529 18.2999 179.1018 622 R 3.8118 8.8217 118.1279 59.9434 30.0532 178.6558 623 K 3.7733 7.9402 117.7767 59.6142 32.0999 178.9937 624 D 4.3535 8.4422 119.4172 57.3818 40.8897 178.7886 625 L 3.9332 8.2008 121.0666 58.1040 41.9626 178.5172 626 E 4.0309 8.7887 118.9327 58.5461 29.7187 178.6951 627 K 4.1231 8.1011 118.8713 59.3313 32.2882 178.6573 628 L 3.8989 7.5864 119.3145 58.2063 42.0923 178.8032 629 V 3.8899 7.6591 117.3027 65.4161 31.7713 177.9451 630 R 4.0477 8.1165 117.1523 58.7351 29.8797 178.3520 631 K 4.0456 7.6931 118.9676 59.0588 32.3494 178.8064 632 V 4.2076 7.4530 114.1158 61.5161 31.5855 176.5141 633 L 4.5480 7.7055 120.5952 56.4920 44.7101 176.7154 634 K 4.2369 7.9822 117.2696 57.8736 33.1669 176.7792 635 N 4.2042 8.1226 116.8478 51.7290 37.8280 178.9475 636 M 3.1511 8.4627 120.3260 56.6904 33.7077 178.0187 637 N 5.0849 7.7689 117.0539 51.5359 41.2702 174.5262 638 D 4.2109 8.4650 120.9741 54.8826 42.4704 175.9466 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 586 M 8.30 4.48 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 587 E 8.08 4.26 0.00 2.05 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 2.24 2.43 0.00 588 K 7.74 4.05 0.00 1.86 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.39 7.81 589 S 8.31 3.67 0.00 4.15 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 0.00 590 L 8.45 4.40 0.00 1.64 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 591 V 8.68 3.68 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 1.04 0.00 0.00 1.05 0.00 0.00 592 D 7.83 4.63 0.00 2.77 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 0.00 593 T 7.95 3.88 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 0.00 594 V 7.73 3.45 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 0.61 0.00 0.00 0.84 0.00 0.00 595 Y 7.63 3.98 0.00 3.21 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 0.00 596 A 8.47 4.04 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 0.00 597 L 8.46 3.91 0.00 1.84 1.70 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 598 K 8.39 3.83 0.00 1.82 2.04 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.47 7.81 599 D 8.33 4.33 0.00 3.06 2.69 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 0.00 0.00 0.00 0.00 600 E 8.18 3.85 0.00 2.05 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 2.31 2.32 0.00 601 V 7.78 3.27 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 1.02 0.00 0.00 0.96 0.00 0.00 602 Q 7.84 3.93 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 603 E 7.96 4.18 0.00 2.10 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 2.31 2.22 0.00 604 L 8.67 3.94 0.00 1.77 1.71 0.92 0.78 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 0.00 605 R 8.27 3.89 0.00 2.07 1.92 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 606 Q 7.99 4.02 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 607 D 8.08 4.42 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 0.00 608 N 8.01 4.23 0.00 3.00 2.90 0.00 0.00 7.13 7.09 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 0.00 609 K 7.86 4.00 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 610 K 7.71 4.05 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 611 M 8.39 4.07 0.00 2.04 2.10 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 2.73 2.54 0.00 612 K 8.46 3.55 0.00 1.99 1.93 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.44 7.81 613 K 7.97 3.97 0.00 2.10 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.75 1.48 7.81 614 S 8.38 4.07 0.00 4.01 3.90 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 0.00 615 L 8.56 3.89 0.00 1.85 1.70 0.92 0.03 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 0.00 616 E 7.96 3.99 0.00 2.17 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 2.33 2.60 0.00 617 E 8.07 4.02 0.00 2.22 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 2.45 0.00 618 E 8.59 3.88 0.00 2.04 2.19 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 2.30 2.36 0.00 619 Q 8.22 3.49 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 620 R 7.64 3.96 0.00 2.09 1.89 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 621 A 7.79 4.09 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 0.00 622 R 8.82 3.81 0.00 1.91 2.09 0.00 3.11 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 623 K 7.94 3.77 0.00 1.85 1.85 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.54 7.81 624 D 8.44 4.35 0.00 2.84 2.72 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 0.00 625 L 8.20 3.93 0.00 1.73 1.93 0.92 0.78 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 0.00 626 E 8.79 4.03 0.00 1.91 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 0.00 2.32 2.36 0.00 627 K 8.10 4.12 0.00 2.02 1.82 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 628 L 7.59 3.90 0.00 1.80 1.88 0.92 1.08 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 0.00 629 V 7.66 3.89 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 0.98 0.00 0.00 0.93 0.00 0.00 630 R 8.12 4.05 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 631 K 7.69 4.05 0.00 2.03 1.78 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.62 7.81 632 V 7.45 4.21 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 0.66 0.00 0.00 0.97 0.00 0.00 633 L 7.71 4.55 0.00 1.70 1.70 0.92 0.65 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 0.00 634 K 7.98 4.24 0.00 1.77 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 635 N 8.12 4.20 0.00 3.09 2.61 0.00 0.00 7.08 7.35 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 0.00 636 M 8.46 3.15 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 637 N 7.77 5.08 0.00 2.65 2.70 0.00 0.00 6.69 8.06 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 0.00 638 D 8.46 4.21 0.00 2.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00