==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-12 4I15 . COMPND 2 MOLECULE: CLASS 1 PHOSPHODIESTERASE PDEB1; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR H.WANG,H.KE . 666 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 364 54.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 2 0 2 2 0 4 0 6 2 0 6 2 0 2 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 586 A V 0 0 102 0, 0.0 2,-0.5 0, 0.0 166,-0.0 0.000 360.0 360.0 360.0 87.4 38.3 -20.0 -5.6 2 587 A T - 0 0 121 1,-0.1 0, 0.0 71,-0.0 0, 0.0 -0.335 360.0-128.9 -55.4 105.2 41.6 -19.4 -3.8 3 588 A A - 0 0 38 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.182 20.9-104.9 -59.1 146.9 40.9 -20.4 -0.2 4 589 A I - 0 0 12 1,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.494 38.1-128.3 -73.0 141.0 41.8 -18.1 2.6 5 590 A T > - 0 0 69 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.470 14.3-117.2 -91.0 163.2 44.9 -19.1 4.6 6 591 A K H > S+ 0 0 160 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.887 115.8 55.7 -63.8 -38.9 45.3 -19.5 8.4 7 592 A V H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.839 105.4 52.0 -63.3 -34.8 47.9 -16.7 8.4 8 593 A E H > S+ 0 0 42 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.924 110.9 46.5 -68.9 -44.0 45.4 -14.3 6.7 9 594 A R H >X S+ 0 0 26 -4,-1.8 4,-2.4 1,-0.2 3,-1.2 0.922 109.1 56.3 -63.3 -43.1 42.7 -15.0 9.3 10 595 A E H 3X S+ 0 0 105 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.880 97.9 60.9 -56.4 -41.6 45.2 -14.7 12.2 11 596 A A H 3< S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.786 111.8 40.7 -57.9 -27.7 46.2 -11.2 11.0 12 597 A V H X< S+ 0 0 1 -3,-1.2 3,-2.0 -4,-0.7 -2,-0.2 0.894 109.7 56.5 -86.1 -45.8 42.6 -10.1 11.6 13 598 A L H 3< S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.759 97.7 64.4 -58.3 -27.1 42.0 -12.1 14.9 14 599 A V T 3< S+ 0 0 99 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.589 80.4 96.8 -75.0 -9.4 45.0 -10.3 16.5 15 600 A C < + 0 0 32 -3,-2.0 -3,-0.0 -5,-0.2 -4,-0.0 -0.729 45.8 175.9 -85.4 118.6 43.2 -7.0 16.3 16 601 A E - 0 0 152 -2,-0.6 -1,-0.1 2,-0.0 -3,-0.0 0.542 32.9-136.4 -98.7 -9.5 41.4 -6.2 19.6 17 602 A L > - 0 0 12 1,-0.1 3,-1.5 2,-0.1 5,-0.1 0.932 23.3-153.4 54.6 54.6 40.2 -2.7 18.6 18 603 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.354 72.5 11.7 -62.4 135.2 41.1 -0.9 21.9 19 604 A S T 3 S+ 0 0 101 1,-0.2 2,-0.4 -2,-0.1 -2,-0.1 0.594 102.6 115.8 75.1 15.1 39.0 2.1 22.8 20 605 A F < - 0 0 23 -3,-1.5 2,-0.6 7,-0.1 -1,-0.2 -0.940 47.2-166.3-120.6 139.4 36.4 1.4 20.0 21 606 A D > - 0 0 80 -2,-0.4 3,-2.0 1,-0.1 6,-0.1 -0.883 8.0-169.0-119.5 92.9 32.7 0.6 20.3 22 607 A V T 3 S+ 0 0 5 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.619 82.5 60.8 -59.2 -13.1 31.8 -0.6 16.8 23 608 A T T 3 S+ 0 0 42 74,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.540 82.2 103.2 -93.2 -6.2 28.1 -0.5 17.7 24 609 A D S X S- 0 0 54 -3,-2.0 3,-1.8 1,-0.1 74,-0.1 -0.543 71.9-134.3 -82.9 142.5 27.9 3.2 18.5 25 610 A V T 3 S+ 0 0 39 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.623 108.2 52.4 -67.2 -12.9 26.5 5.7 16.0 26 611 A E T 3 S+ 0 0 100 -5,-0.1 -1,-0.3 217,-0.1 -4,-0.1 0.267 76.7 140.0-106.1 11.0 29.5 8.0 16.6 27 612 A F < - 0 0 14 -3,-1.8 2,-0.7 -6,-0.1 -5,-0.1 -0.279 46.6-141.3 -54.6 134.5 32.0 5.3 15.9 28 613 A D > - 0 0 26 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.848 20.8-178.3-108.4 100.8 34.9 6.8 13.8 29 614 A L H > S+ 0 0 5 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.827 85.8 56.4 -65.1 -32.4 36.2 4.4 11.1 30 615 A F H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 107.1 48.8 -65.7 -40.5 38.9 6.9 10.1 31 616 A R H 4 S+ 0 0 74 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.877 110.4 52.2 -64.4 -37.9 40.2 7.0 13.7 32 617 A A H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.870 108.6 50.6 -66.0 -36.7 40.2 3.2 13.6 33 618 A R H >< S+ 0 0 66 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.827 110.9 47.9 -70.4 -33.3 42.2 3.2 10.4 34 619 A E T 3< S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.467 92.6 81.8 -86.7 -1.8 44.8 5.5 11.8 35 620 A S T < S+ 0 0 63 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.2 0.673 102.3 14.3 -77.7 -17.7 45.2 3.5 15.0 36 621 A T S < S- 0 0 63 -3,-0.6 6,-0.0 -4,-0.3 -1,-0.0 -0.913 73.1-112.0-147.7 175.0 47.5 0.9 13.4 37 622 A D S S+ 0 0 138 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 0.339 109.6 60.4 -92.2 4.6 49.8 0.3 10.4 38 623 A K >> + 0 0 123 1,-0.1 4,-1.8 -5,-0.0 3,-1.0 -0.500 57.5 159.9-130.7 63.0 47.4 -2.5 9.1 39 624 A P H 3> S+ 0 0 35 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.784 71.9 62.3 -55.3 -31.4 44.1 -0.7 8.5 40 625 A L H 3> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.866 106.8 43.6 -65.8 -35.6 42.9 -3.5 6.2 41 626 A D H <> S+ 0 0 21 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.870 113.1 51.8 -75.8 -37.9 43.0 -6.0 9.1 42 627 A V H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.933 110.4 49.1 -62.4 -45.5 41.4 -3.6 11.5 43 628 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.905 112.4 47.8 -60.2 -44.1 38.6 -3.0 9.1 44 629 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.904 110.3 52.6 -64.5 -40.5 38.1 -6.7 8.6 45 630 A A H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.861 106.9 53.4 -63.4 -35.7 38.2 -7.2 12.4 46 631 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.944 110.4 45.3 -64.9 -47.3 35.5 -4.5 12.7 47 632 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.901 113.3 52.2 -62.0 -39.8 33.2 -6.3 10.3 48 633 A Y H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.917 110.6 46.1 -62.5 -46.1 34.0 -9.6 12.0 49 634 A R H X S+ 0 0 100 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.870 111.0 53.8 -66.2 -37.4 33.1 -8.2 15.5 50 635 A L H X S+ 0 0 1 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.939 112.2 42.6 -63.3 -47.8 29.9 -6.6 14.1 51 636 A L H X>S+ 0 0 0 -4,-2.3 5,-0.7 2,-0.2 4,-0.7 0.927 118.4 44.3 -66.3 -45.3 28.6 -9.9 12.6 52 637 A L H ><5S+ 0 0 40 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.901 111.1 54.7 -66.1 -39.5 29.6 -12.0 15.6 53 638 A G H 3<5S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 99.1 61.8 -65.3 -24.9 28.2 -9.4 18.0 54 639 A S H 3<5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.768 99.8-139.7 -71.1 -24.3 24.8 -9.6 16.3 55 640 A G T < + 0 0 1 -5,-0.7 4,-1.0 2,-0.2 3,-0.3 0.895 60.1 58.6 -80.8 -44.9 23.2 -14.0 13.8 57 642 A P H >4>S+ 0 0 0 0, 0.0 5,-2.6 0, 0.0 3,-1.0 0.915 105.6 52.9 -52.9 -43.9 25.9 -16.1 12.0 58 643 A Q H >45S+ 0 0 95 1,-0.2 3,-1.3 3,-0.2 -2,-0.2 0.882 104.2 56.5 -58.3 -41.2 25.8 -18.7 14.8 59 644 A K H 3<5S+ 0 0 125 -4,-0.7 -1,-0.2 -3,-0.3 -3,-0.1 0.706 109.1 46.0 -66.2 -20.8 22.0 -19.0 14.4 60 645 A F T <<5S- 0 0 25 -4,-1.0 118,-0.3 -3,-1.0 -1,-0.3 0.079 121.0 -97.9-112.8 25.0 22.2 -19.9 10.8 61 646 A G T < 5S+ 0 0 59 -3,-1.3 2,-0.7 1,-0.2 -3,-0.2 0.718 75.2 142.4 70.5 21.7 25.0 -22.4 10.8 62 647 A C < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.859 40.8-145.7 -99.3 111.2 27.8 -20.0 9.9 63 648 A S > - 0 0 60 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.227 23.8-110.7 -69.8 162.5 31.0 -20.8 11.8 64 649 A D H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.857 118.3 51.1 -61.3 -36.6 33.4 -18.1 12.9 65 650 A E H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.921 109.4 47.3 -69.3 -45.1 36.0 -19.4 10.3 66 651 A V H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.904 112.0 52.4 -62.9 -40.3 33.6 -19.4 7.4 67 652 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.938 112.2 44.6 -60.0 -47.6 32.4 -15.9 8.4 68 653 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 111.3 53.2 -65.7 -38.9 36.0 -14.7 8.5 69 654 A N H X S+ 0 0 5 -4,-2.8 4,-2.4 103,-0.2 -1,-0.2 0.924 109.5 49.9 -61.4 -42.5 36.9 -16.4 5.2 70 655 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.948 109.5 50.3 -59.7 -50.2 33.9 -14.6 3.6 71 656 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.898 113.3 46.4 -55.9 -42.5 35.0 -11.2 4.9 72 657 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.859 108.7 53.8 -71.3 -35.3 38.5 -11.8 3.6 73 658 A Q H X S+ 0 0 19 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.881 111.4 47.6 -65.7 -35.9 37.3 -13.0 0.2 74 659 A C H >< S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.2 4,-0.3 0.934 108.9 54.1 -67.6 -45.8 35.3 -9.8 -0.1 75 660 A R H >< S+ 0 0 39 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.876 101.5 58.3 -56.0 -41.5 38.3 -7.7 1.0 76 661 A K H 3< S+ 0 0 108 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 102.1 57.2 -61.9 -23.4 40.5 -9.1 -1.8 77 662 A K T << S+ 0 0 80 -3,-1.3 50,-1.4 -4,-0.6 2,-0.4 0.423 86.3 91.6 -91.0 0.3 38.0 -7.9 -4.4 78 663 A Y < - 0 0 21 -3,-1.6 2,-0.2 -4,-0.3 7,-0.1 -0.778 67.0-141.1 -96.9 143.8 38.1 -4.2 -3.4 79 664 A R - 0 0 118 49,-0.5 2,-1.9 5,-0.5 7,-0.3 -0.487 25.9 -96.6-100.7 169.7 40.5 -1.9 -5.1 80 665 A N S S+ 0 0 157 -2,-0.2 5,-0.1 5,-0.1 49,-0.0 -0.436 70.2 138.0 -83.4 63.4 42.7 1.0 -4.1 81 666 A V - 0 0 18 -2,-1.9 49,-0.1 47,-0.1 4,-0.1 -0.689 64.4-109.4-102.6 161.4 40.3 3.8 -5.1 82 667 A P S S+ 0 0 30 0, 0.0 3,-0.1 0, 0.0 173,-0.1 0.851 101.9 0.7 -58.9 -41.3 39.6 6.9 -3.0 83 668 A Y S S+ 0 0 16 171,-0.2 2,-2.6 172,-0.1 5,-0.4 0.776 119.0 62.9-117.3 -55.7 36.1 6.1 -1.9 84 669 A H S S+ 0 0 30 170,-0.1 -5,-0.5 4,-0.1 44,-0.2 -0.285 81.1 114.7 -77.3 59.7 34.6 2.8 -3.2 85 670 A N S >> S- 0 0 14 -2,-2.6 4,-1.2 -3,-0.1 3,-0.9 -0.450 87.7 -75.9-112.1-172.7 37.2 0.7 -1.3 86 671 A F H 3> S+ 0 0 5 -7,-0.3 4,-2.0 1,-0.2 5,-0.2 0.807 126.0 61.2 -58.1 -32.7 36.9 -1.8 1.5 87 672 A Y H 3> S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 99.6 55.4 -66.0 -33.0 36.5 0.9 4.1 88 673 A H H <> S+ 0 0 1 -3,-0.9 4,-2.2 -5,-0.4 -1,-0.2 0.918 110.4 44.3 -66.0 -43.4 33.3 2.2 2.5 89 674 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.848 112.9 50.3 -72.8 -31.8 31.6 -1.2 2.6 90 675 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.904 111.0 51.1 -69.1 -38.1 32.7 -1.9 6.2 91 676 A D H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.917 109.6 49.4 -62.8 -42.3 31.4 1.5 7.0 92 677 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.915 110.6 50.7 -64.5 -40.2 28.1 0.6 5.4 93 678 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.935 113.6 44.3 -60.9 -47.2 28.0 -2.7 7.3 94 679 A Q H X S+ 0 0 3 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.884 113.7 50.9 -65.3 -40.2 28.6 -0.8 10.6 95 680 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.928 109.6 49.1 -65.0 -45.7 26.1 1.9 9.7 96 681 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.894 106.4 57.7 -61.7 -37.8 23.4 -0.7 8.9 97 682 A H H X S+ 0 0 14 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.922 108.2 46.7 -58.6 -42.4 24.1 -2.4 12.2 98 683 A T H X>S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 5,-2.0 0.885 111.4 50.7 -68.7 -36.0 23.3 0.9 14.0 99 684 A F H <5S+ 0 0 1 -4,-2.2 6,-1.8 3,-0.2 7,-0.2 0.932 115.6 43.5 -65.7 -42.6 20.1 1.4 11.9 100 685 A L H <5S+ 0 0 0 -4,-2.9 6,-2.3 5,-0.2 7,-0.3 0.937 131.4 19.2 -66.9 -47.6 19.0 -2.2 12.8 101 686 A Y H <5S+ 0 0 69 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.770 132.2 36.6-100.9 -29.2 19.9 -2.1 16.5 102 687 A R T <5S+ 0 0 112 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.790 127.8 39.9 -88.8 -31.2 20.2 1.5 17.6 103 688 A G S + 0 0 71 -6,-0.3 3,-1.5 207,-0.1 -4,-0.2 0.662 63.0 136.5 59.7 21.9 15.4 -0.7 16.1 105 690 A V G > + 0 0 2 -6,-1.8 3,-2.2 1,-0.3 4,-0.4 0.726 56.4 80.9 -70.0 -15.8 14.7 -1.4 12.5 106 691 A Y G > S+ 0 0 97 -6,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.798 78.9 70.0 -57.9 -26.4 15.5 -5.0 13.4 107 692 A E G < S+ 0 0 125 -3,-1.5 -1,-0.3 -7,-0.3 -2,-0.2 0.729 95.4 52.5 -63.3 -21.6 11.9 -5.2 14.7 108 693 A K G < S+ 0 0 79 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.3 0.509 109.3 55.6 -91.8 -7.2 10.6 -5.0 11.1 109 694 A L S < S- 0 0 16 -3,-1.3 2,-0.1 -4,-0.4 116,-0.0 -0.819 81.9-109.1-126.8 164.3 12.7 -7.9 9.8 110 695 A T > - 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0 0 7 -3,-0.7 3,-2.0 -4,-0.4 4,-0.2 -0.693 36.9-176.8 -87.8 93.0 14.5 49.3 26.8 509 760 B V T 3 S+ 0 0 0 -2,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.578 83.9 53.5 -66.2 -7.0 15.0 48.3 30.5 510 761 B F T > S+ 0 0 0 1,-0.1 3,-1.9 -8,-0.1 -1,-0.3 0.312 75.3 101.6-108.2 5.6 16.9 51.6 31.0 511 762 B D T < S+ 0 0 98 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.752 74.4 62.7 -63.2 -24.4 14.2 53.9 29.6 512 763 B G T 3 S+ 0 0 42 -118,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.440 92.9 86.1 -80.6 2.1 13.1 54.9 33.1 513 764 B L < - 0 0 5 -3,-1.9 2,-0.3 4,-0.1 -3,-0.0 -0.680 57.1-174.1-102.2 157.4 16.5 56.4 33.7 514 765 B E >> - 0 0 160 -2,-0.2 3,-1.2 0, 0.0 4,-0.8 -0.952 44.5 -8.5-146.1 162.9 17.8 59.9 32.8 515 766 B G H 3> S- 0 0 56 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 -0.148 125.2 -2.1 53.3-137.2 20.9 61.9 32.9 516 767 B A H 3> S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.804 132.6 57.6 -56.3 -35.0 24.0 60.5 34.5 517 768 B E H <> S+ 0 0 97 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.932 107.3 45.6 -65.4 -45.7 22.2 57.3 35.6 518 769 B R H X S+ 0 0 75 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.911 114.7 49.3 -64.1 -40.1 21.1 56.4 32.0 519 770 B T H X S+ 0 0 96 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.908 110.9 49.6 -65.0 -41.0 24.6 57.1 30.8 520 771 B L H X S+ 0 0 51 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.891 107.3 55.5 -65.6 -38.5 26.2 55.0 33.6 521 772 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.945 114.0 39.3 -59.5 -48.5 23.8 52.1 32.8 522 773 B F H X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.933 119.0 45.8 -68.1 -46.0 24.9 52.0 29.1 523 774 B R H X S+ 0 0 150 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.910 115.2 46.1 -65.6 -41.6 28.6 52.6 29.8 524 775 B S H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.908 112.4 51.9 -68.0 -40.0 28.9 50.2 32.6 525 776 B M H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.4 -2,-0.2 0.949 114.2 42.7 -58.8 -49.6 27.0 47.5 30.6 526 777 B I H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.907 111.9 53.2 -65.4 -42.7 29.4 48.0 27.7 527 778 B D H X S+ 0 0 29 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.905 110.3 49.6 -59.3 -41.7 32.5 48.1 29.8 528 779 B C H < S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.931 110.4 47.6 -65.5 -45.9 31.4 44.8 31.5 529 780 B V H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 4,-0.2 0.937 112.0 50.4 -61.2 -44.6 30.8 43.0 28.2 530 781 B L H >< S+ 0 0 38 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.835 103.9 61.3 -61.7 -29.4 34.1 44.2 26.8 531 782 B A T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.581 86.2 75.1 -74.1 -9.9 35.8 42.9 29.9 532 783 B T T < + 0 0 7 -3,-1.7 2,-0.7 -4,-0.4 -1,-0.2 0.560 63.9 110.0 -81.1 -5.8 34.7 39.3 29.2 533 784 B D X - 0 0 13 -3,-1.2 3,-2.7 -4,-0.2 4,-0.2 -0.594 68.0-145.5 -69.0 113.2 37.3 39.0 26.5 534 785 B M G > S+ 0 0 79 -2,-0.7 3,-1.1 1,-0.3 4,-0.4 0.618 93.1 76.8 -58.2 -11.4 39.7 36.5 28.3 535 786 B A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.687 99.0 44.7 -71.4 -16.5 42.6 38.3 26.5 536 787 B K G <> S+ 0 0 77 -3,-2.7 4,-2.8 1,-0.1 5,-0.3 0.278 82.3 108.5-106.8 6.4 42.1 41.0 29.2 537 788 B H H <> S+ 0 0 29 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.918 79.4 45.5 -48.9 -55.3 41.7 38.5 32.0 538 789 B G H > S+ 0 0 49 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.921 116.2 43.0 -57.4 -51.3 45.1 39.4 33.6 539 790 B S H > S+ 0 0 66 2,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.856 114.0 52.3 -65.4 -37.0 44.8 43.1 33.4 540 791 B A H X S+ 0 0 6 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.947 112.4 44.5 -64.0 -49.1 41.2 43.1 34.6 541 792 B L H X S+ 0 0 13 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.906 116.3 47.1 -61.9 -43.2 42.1 41.0 37.6 542 793 B E H X S+ 0 0 142 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.905 110.8 51.3 -66.1 -42.1 45.1 43.1 38.4 543 794 B A H X S+ 0 0 42 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.825 112.9 47.2 -64.7 -32.3 43.2 46.4 37.9 544 795 B F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.955 111.4 48.2 -72.9 -52.2 40.5 45.1 40.3 545 796 B L H X S+ 0 0 46 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.860 115.2 47.4 -56.0 -36.9 43.0 43.9 43.0 546 797 B A H X S+ 0 0 55 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.906 112.4 47.8 -71.6 -42.4 44.7 47.2 42.7 547 798 B S H < S+ 0 0 12 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.751 118.4 43.4 -69.2 -23.6 41.5 49.2 42.9 548 799 B A H < S+ 0 0 25 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.859 115.3 47.0 -88.0 -42.6 40.5 47.0 45.9 549 800 B A H < S+ 0 0 73 -4,-2.9 -3,-0.2 -5,-0.2 4,-0.1 0.977 96.3 67.2 -61.8 -86.8 43.8 47.1 47.7 550 801 B D >< - 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