==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-SEP-07 2R8Q . COMPND 2 MOLECULE: CLASS I PHOSPHODIESTERASE PDEB1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR H.WANG,Z.YAN,J.GENG,S.KUNZ,T.SEEBECK,H.KE . 670 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 77.3 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 . 30 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 0 2 2 2 2 0 4 0 4 5 1 6 0 0 1 1 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 1 597 A V 0 0 152 0, 0.0 2,-0.9 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 121.1 9.0 -15.2 33.7 2 598 A I - 0 0 129 72,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.790 360.0-140.3 -91.5 106.8 11.5 -13.7 36.1 3 599 A A - 0 0 69 -2,-0.9 2,-0.4 1,-0.1 -1,-0.0 -0.224 13.8-112.7 -66.7 153.6 9.8 -10.6 37.6 4 600 A V - 0 0 13 1,-0.0 -1,-0.1 3,-0.0 66,-0.1 -0.746 36.5-132.4 -85.6 131.0 11.6 -7.3 38.3 5 601 A T > - 0 0 57 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.436 14.4-118.1 -85.1 159.2 11.7 -6.7 42.0 6 602 A P H > S+ 0 0 61 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.889 116.0 57.9 -61.0 -37.8 10.9 -3.4 43.8 7 603 A E H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 103.9 51.3 -59.3 -41.8 14.5 -3.2 45.0 8 604 A E H > S+ 0 0 49 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.899 113.1 44.7 -63.9 -40.4 15.7 -3.3 41.4 9 605 A R H >X S+ 0 0 39 -4,-1.7 4,-2.4 1,-0.2 3,-0.8 0.913 111.6 53.7 -69.0 -40.9 13.4 -0.5 40.4 10 606 A E H 3X S+ 0 0 116 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.864 101.5 59.1 -60.4 -38.1 14.3 1.4 43.5 11 607 A A H 3< S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.790 110.8 42.7 -63.2 -28.3 18.0 1.2 42.7 12 608 A V H X< S+ 0 0 4 -4,-0.8 3,-1.4 -3,-0.8 -2,-0.2 0.908 113.1 49.5 -83.8 -45.8 17.4 3.0 39.4 13 609 A M H 3< S+ 0 0 104 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.688 102.0 64.5 -67.9 -17.1 15.0 5.6 40.8 14 610 A S T 3< S+ 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.647 74.9 111.9 -80.3 -14.5 17.4 6.5 43.6 15 611 A I < - 0 0 31 -3,-1.4 2,-0.7 -4,-0.2 -3,-0.0 -0.430 57.8-153.7 -63.2 123.3 20.0 7.7 41.0 16 612 A D + 0 0 124 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.884 25.6 167.2-106.1 111.7 20.4 11.5 41.4 17 613 A F > - 0 0 30 -2,-0.7 3,-1.7 1,-0.3 2,-0.4 0.683 23.0-167.4 -91.3 -21.8 21.6 13.3 38.2 18 614 A G T 3 - 0 0 61 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 -0.572 60.1 -52.6 70.2-123.3 20.8 16.7 39.6 19 615 A G T 3 S+ 0 0 78 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 -0.003 106.9 111.7-137.0 25.3 20.9 19.0 36.6 20 616 A A S < S+ 0 0 73 -3,-1.7 2,-0.3 1,-0.0 -2,-0.1 0.595 74.4 48.8 -77.4 -12.9 24.4 18.0 35.5 21 617 A Y - 0 0 39 -4,-0.1 2,-0.6 7,-0.1 3,-0.0 -0.963 57.1-156.4-134.8 150.4 23.1 16.4 32.3 22 618 A D > - 0 0 88 -2,-0.3 3,-1.8 1,-0.1 6,-0.2 -0.910 10.6-170.5-121.0 97.5 20.8 17.1 29.4 23 619 A F T 3 S+ 0 0 12 -2,-0.6 76,-0.1 1,-0.3 -1,-0.1 0.605 83.9 61.2 -65.9 -10.6 19.8 13.7 28.0 24 620 A T T 3 S+ 0 0 57 74,-0.1 -1,-0.3 75,-0.0 79,-0.1 0.473 87.0 98.2 -94.1 -1.8 18.2 15.5 25.0 25 621 A S S X S- 0 0 36 -3,-1.8 3,-1.8 1,-0.1 74,-0.1 -0.653 71.6-139.3 -94.0 142.3 21.5 17.0 23.8 26 622 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.754 106.7 62.1 -64.2 -21.0 23.9 15.6 21.1 27 623 A G T 3 S+ 0 0 50 218,-0.1 -4,-0.1 -5,-0.1 2,-0.1 0.489 72.3 123.3 -83.5 -5.1 26.6 16.6 23.5 28 624 A F < - 0 0 19 -3,-1.8 2,-0.6 -6,-0.2 -7,-0.1 -0.376 51.1-152.3 -58.8 132.2 25.5 14.2 26.3 29 625 A N >> - 0 0 41 1,-0.1 4,-1.1 -2,-0.1 3,-1.0 -0.892 14.1-170.8-115.1 103.0 28.4 11.9 27.1 30 626 A L H 3> S+ 0 0 4 -2,-0.6 4,-2.2 1,-0.3 5,-0.1 0.773 85.7 64.4 -61.9 -26.8 27.4 8.5 28.5 31 627 A F H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.845 97.3 56.2 -66.6 -31.1 31.0 7.7 29.4 32 628 A E H <> S+ 0 0 61 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.934 109.0 46.0 -64.2 -45.8 30.9 10.6 31.9 33 629 A V H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.903 113.0 50.6 -62.3 -42.4 27.9 9.0 33.6 34 630 A R H < S+ 0 0 67 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 111.7 46.8 -63.5 -42.2 29.5 5.6 33.6 35 631 A E H < S+ 0 0 166 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.5 42.8 -70.1 -35.3 32.7 6.8 35.1 36 632 A K H < S+ 0 0 127 -4,-2.0 2,-0.4 -5,-0.2 -2,-0.2 0.827 95.9 77.5 -85.3 -33.7 31.1 8.8 37.9 37 633 A Y < - 0 0 49 -4,-2.0 4,-0.1 -5,-0.2 6,-0.1 -0.649 66.1-145.4 -86.6 132.4 28.3 6.6 39.3 38 634 A S S S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.711 103.4 43.2 -62.5 -22.7 29.1 3.7 41.6 39 635 A E S > S+ 0 0 105 1,-0.1 4,-2.4 -28,-0.1 3,-0.4 -0.699 72.4 169.5-123.3 73.9 26.2 1.8 40.0 40 636 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.808 75.1 54.6 -57.9 -34.2 26.7 2.6 36.3 41 637 A M H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.872 111.1 45.7 -69.3 -35.6 24.2 0.1 35.1 42 638 A D H > S+ 0 0 18 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.904 113.0 50.1 -71.5 -41.1 21.5 1.6 37.3 43 639 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.909 110.0 50.6 -62.9 -41.7 22.5 5.1 36.2 44 640 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.894 109.9 49.5 -63.5 -40.3 22.4 4.1 32.5 45 641 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.869 109.6 53.7 -65.2 -35.3 18.9 2.6 33.0 46 642 A G H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.833 101.9 58.1 -68.0 -33.5 18.0 5.9 34.7 47 643 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.960 111.7 40.5 -61.2 -50.6 19.1 7.9 31.7 48 644 A V H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.878 114.2 52.1 -68.4 -37.4 16.7 6.0 29.4 49 645 A Y H X S+ 0 0 21 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.940 114.2 43.7 -63.8 -44.3 13.9 6.0 31.9 50 646 A N H X S+ 0 0 64 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.949 116.4 46.7 -64.0 -49.8 14.2 9.8 32.4 51 647 A L H < S+ 0 0 5 -4,-2.6 4,-0.5 -5,-0.3 -2,-0.2 0.933 118.8 39.7 -59.6 -49.1 14.6 10.5 28.7 52 648 A L H >< S+ 0 0 3 -4,-2.7 3,-0.7 -5,-0.2 4,-0.5 0.927 118.0 44.9 -71.1 -45.8 11.7 8.4 27.6 53 649 A W H >< S+ 0 0 42 -4,-2.6 3,-1.6 -5,-0.3 6,-0.3 0.942 113.1 50.4 -64.6 -45.3 9.2 9.1 30.4 54 650 A N T 3< S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.590 95.6 72.9 -68.8 -9.2 9.8 12.9 30.2 55 651 A S T < S- 0 0 40 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.733 100.4-133.2 -75.2 -22.2 9.3 12.8 26.5 56 652 A G S <> S+ 0 0 30 -3,-1.6 4,-2.1 -4,-0.5 5,-0.1 0.268 77.8 109.3 87.8 -11.3 5.6 12.3 27.1 57 653 A L H > S+ 0 0 6 -5,-0.5 4,-1.9 2,-0.2 6,-0.2 0.914 72.2 52.5 -65.9 -45.3 5.4 9.5 24.6 58 654 A P H 4>S+ 0 0 0 0, 0.0 5,-3.4 0, 0.0 -1,-0.2 0.944 114.2 43.3 -57.4 -46.0 4.9 6.6 27.0 59 655 A E H >45S+ 0 0 139 -6,-0.3 3,-1.8 1,-0.2 -2,-0.2 0.901 109.0 58.1 -65.8 -41.0 2.0 8.4 28.7 60 656 A K H 3<5S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.2 0.860 111.8 42.2 -57.2 -35.9 0.5 9.5 25.4 61 657 A F T 3<5S- 0 0 33 -4,-1.9 118,-0.4 -3,-0.1 -1,-0.3 0.125 121.9-102.5-101.7 22.6 0.3 5.8 24.4 62 658 A G T < 5 + 0 0 38 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.704 68.3 149.0 69.6 22.1 -0.9 4.5 27.7 63 659 A C < - 0 0 3 -5,-3.4 -1,-0.2 -6,-0.2 2,-0.1 -0.795 41.6-134.4 -90.1 124.5 2.3 3.0 28.9 64 660 A R > - 0 0 148 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.430 16.8-114.5 -77.7 153.3 2.5 3.1 32.7 65 661 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.904 115.8 45.1 -51.0 -52.3 5.6 4.4 34.6 66 662 A Q H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.819 109.5 56.9 -66.1 -30.4 6.4 1.0 36.2 67 663 A T H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 107.9 47.7 -65.6 -45.3 5.8 -0.8 32.9 68 664 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.924 113.6 46.9 -60.4 -46.6 8.4 1.4 31.2 69 665 A L H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.920 111.7 50.4 -64.1 -43.0 10.9 0.8 34.0 70 666 A N H X S+ 0 0 6 -4,-2.6 4,-2.5 103,-0.3 -1,-0.2 0.912 110.2 51.7 -60.4 -41.7 10.3 -2.9 34.1 71 667 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 109.2 49.1 -59.9 -48.8 10.8 -3.0 30.3 72 668 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.924 114.7 45.5 -57.6 -44.0 14.1 -1.1 30.6 73 669 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.823 109.8 53.3 -71.2 -31.6 15.3 -3.5 33.3 74 670 A Q H X S+ 0 0 6 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.869 111.7 47.5 -70.1 -34.9 14.2 -6.7 31.4 75 671 A C H >< S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.2 4,-0.2 0.951 109.0 53.4 -67.6 -48.3 16.2 -5.4 28.4 76 672 A R H >< S+ 0 0 40 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.874 101.7 60.0 -53.7 -41.1 19.2 -4.7 30.6 77 673 A R H 3< S+ 0 0 84 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.739 101.8 55.0 -60.2 -24.8 19.1 -8.3 32.0 78 674 A R T << S+ 0 0 58 -3,-1.6 50,-1.6 -4,-0.6 2,-0.4 0.356 85.9 93.2 -95.8 6.2 19.6 -9.7 28.5 79 675 A Y < - 0 0 21 -3,-1.7 7,-0.1 -4,-0.2 2,-0.1 -0.840 68.7-137.7-100.0 136.9 22.7 -7.8 27.5 80 676 A R - 0 0 108 49,-0.5 2,-1.8 5,-0.4 7,-0.2 -0.403 25.7 -99.2 -89.6 166.8 26.0 -9.6 28.2 81 677 A R S S+ 0 0 241 -2,-0.1 5,-0.1 5,-0.1 -1,-0.1 -0.397 70.8 139.9 -84.4 60.9 29.3 -8.2 29.6 82 678 A V - 0 0 21 -2,-1.8 4,-0.1 47,-0.1 49,-0.1 -0.650 64.2-108.6 -98.5 160.1 31.0 -7.8 26.2 83 679 A P S S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 174,-0.1 0.844 103.2 1.9 -57.4 -40.5 33.2 -4.8 25.4 84 680 A Y S S+ 0 0 16 173,-0.1 2,-2.1 172,-0.1 5,-0.4 0.787 119.2 62.3-117.3 -52.1 30.8 -3.0 22.9 85 681 A H S S+ 0 0 29 171,-0.1 -5,-0.4 4,-0.1 44,-0.3 -0.223 81.0 117.0 -79.7 53.0 27.4 -4.7 22.4 86 682 A N S >> S- 0 0 13 -2,-2.1 3,-1.3 -7,-0.1 4,-1.0 -0.420 87.5 -78.3-106.0-177.1 26.5 -4.3 26.1 87 683 A F H 3> S+ 0 0 1 1,-0.3 4,-2.0 -7,-0.2 5,-0.2 0.836 125.3 63.1 -54.8 -35.6 23.6 -2.3 27.6 88 684 A Y H 3> S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.835 97.3 57.5 -61.5 -32.2 25.5 1.0 27.3 89 685 A H H <> S+ 0 0 0 -3,-1.3 4,-2.4 -5,-0.4 -1,-0.2 0.919 109.6 42.8 -65.1 -43.0 25.5 0.7 23.5 90 686 A V H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.841 111.8 53.7 -74.8 -28.9 21.7 0.4 23.3 91 687 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.930 111.3 48.7 -65.9 -42.3 21.2 3.2 25.8 92 688 A D H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.921 110.7 48.4 -62.3 -45.4 23.5 5.3 23.6 93 689 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.913 112.4 49.9 -63.4 -39.6 21.5 4.4 20.4 94 690 A C H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.957 114.0 43.6 -62.1 -51.0 18.2 5.3 22.2 95 691 A Q H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.890 113.8 52.0 -61.9 -40.0 19.6 8.6 23.4 96 692 A T H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.906 106.8 52.3 -64.7 -42.3 21.1 9.3 20.0 97 693 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.872 104.6 56.9 -63.2 -35.1 17.9 8.6 18.2 98 694 A H H X>S+ 0 0 15 -4,-1.7 4,-2.8 1,-0.2 5,-0.6 0.946 106.7 49.5 -61.3 -44.0 16.1 11.1 20.5 99 695 A T H X>S+ 0 0 3 -4,-1.8 5,-2.9 1,-0.2 4,-0.8 0.864 111.1 49.4 -63.9 -33.1 18.6 13.7 19.3 100 696 A Y H <5S+ 0 0 1 -4,-1.8 6,-2.5 3,-0.2 7,-0.2 0.913 114.7 44.7 -70.5 -41.3 17.9 12.9 15.7 101 697 A L H <5S+ 0 0 0 -4,-2.6 6,-2.6 5,-0.2 7,-0.3 0.912 131.4 16.6 -68.7 -45.0 14.2 13.0 16.1 102 698 A Y H <5S+ 0 0 76 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.865 134.8 33.6-102.8 -41.4 13.9 16.2 18.1 103 699 A T T < + 0 0 109 -6,-0.3 3,-1.6 208,-0.1 -4,-0.2 0.613 65.4 134.5 65.7 15.1 13.9 17.4 13.5 106 702 A A G > + 0 0 3 -6,-2.5 3,-2.1 1,-0.3 4,-0.3 0.726 57.7 77.0 -66.8 -19.2 13.5 13.9 12.1 107 703 A S G > S+ 0 0 32 -6,-2.6 3,-1.1 1,-0.3 -1,-0.3 0.708 79.7 72.2 -62.7 -17.9 10.3 13.6 14.1 108 704 A E G < S+ 0 0 121 -3,-1.6 -1,-0.3 -7,-0.3 -2,-0.2 0.652 94.7 52.3 -71.3 -14.8 8.7 15.8 11.4 109 705 A L G < S+ 0 0 26 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 0.465 110.8 53.2 -98.5 -3.7 8.8 12.8 9.0 110 706 A L S < S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.3 111,-0.0 -0.820 81.3-108.3-130.0 166.6 7.1 10.4 11.4 111 707 A T > - 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0 0 20 -3,-1.9 2,-0.7 -6,-0.2 -7,-0.1 -0.364 50.3-151.8 -59.1 132.1 2.9 -50.2 22.9 365 625 B N >> - 0 0 35 1,-0.1 4,-1.2 -2,-0.1 3,-1.0 -0.876 14.6-172.8-113.5 100.9 0.1 -48.0 24.2 366 626 B L H 3> S+ 0 0 6 -2,-0.7 4,-2.3 1,-0.3 5,-0.1 0.785 86.1 62.0 -62.1 -27.7 1.3 -44.8 25.8 367 627 B F H 3> S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.836 99.3 55.5 -67.7 -30.3 -2.3 -44.0 27.0 368 628 B E H <> S+ 0 0 69 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.910 108.8 47.2 -66.7 -42.1 -2.2 -47.2 29.1 369 629 B V H X S+ 0 0 0 -4,-1.2 4,-1.1 1,-0.2 3,-0.3 0.925 109.9 52.9 -64.0 -45.6 1.0 -46.0 30.8 370 630 B R H < S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.805 113.4 44.5 -61.1 -29.6 -0.5 -42.5 31.4 371 631 B E H < S+ 0 0 170 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.734 112.5 49.1 -88.7 -23.0 -3.5 -44.1 33.1 372 632 B K H < S+ 0 0 133 -4,-1.6 2,-0.4 -3,-0.3 -2,-0.2 0.507 101.1 69.7 -95.5 -4.6 -1.7 -46.6 35.3 373 633 B Y < - 0 0 48 -4,-1.1 6,-0.1 -5,-0.1 4,-0.1 -0.958 66.5-147.5-120.1 131.0 0.9 -44.3 36.8 374 634 B S S S+ 0 0 112 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.747 103.1 47.1 -61.8 -25.3 0.2 -41.5 39.3 375 635 B E > + 0 0 104 1,-0.1 4,-2.5 -28,-0.1 3,-0.4 -0.682 69.4 168.1-117.2 74.1 3.0 -39.6 37.8 376 636 B P H > S+ 0 0 37 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.816 75.4 53.7 -57.5 -35.0 2.3 -39.9 34.0 377 637 B M H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.862 112.2 44.1 -69.3 -36.7 4.8 -37.2 33.0 378 638 B D H > S+ 0 0 20 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.885 114.2 50.8 -72.8 -38.5 7.6 -39.0 34.9 379 639 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.919 109.4 50.6 -63.9 -42.8 6.4 -42.3 33.5 380 640 B A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.916 110.4 48.7 -61.3 -44.0 6.5 -40.8 29.9 381 641 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.893 109.0 55.4 -62.2 -38.3 10.0 -39.6 30.5 382 642 B G H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.842 101.6 57.6 -63.2 -33.9 10.9 -43.0 31.7 383 643 B V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.947 112.3 38.9 -62.7 -49.1 9.6 -44.6 28.5 384 644 B V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.849 114.6 53.5 -72.5 -33.3 11.9 -42.6 26.3 385 645 B Y H X S+ 0 0 23 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.954 114.0 42.5 -64.6 -47.7 14.9 -42.8 28.7 386 646 B N H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.952 116.7 47.4 -61.8 -51.0 14.6 -46.6 28.9 387 647 B L H X S+ 0 0 3 -4,-2.5 4,-0.7 -5,-0.3 -2,-0.2 0.927 117.6 40.8 -58.4 -48.8 14.0 -47.0 25.1 388 648 B L H >< S+ 0 0 4 -4,-2.6 3,-0.6 2,-0.2 4,-0.5 0.927 117.6 45.4 -70.2 -44.4 16.9 -44.7 24.1 389 649 B W H >< S+ 0 0 44 -4,-2.6 3,-1.6 -5,-0.3 6,-0.3 0.944 112.3 51.8 -64.9 -44.4 19.4 -45.9 26.6 390 650 B N H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.647 95.2 71.7 -66.1 -15.1 18.6 -49.6 26.0 391 651 B S T << S- 0 0 41 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.729 100.2-133.2 -72.3 -20.9 19.1 -49.1 22.3 392 652 B G S <> S+ 0 0 30 -3,-1.6 4,-2.3 -4,-0.5 5,-0.1 0.274 77.5 110.7 86.3 -11.3 22.8 -48.7 22.9 393 653 B L H > S+ 0 0 6 -5,-0.4 4,-1.9 2,-0.2 6,-0.2 0.914 72.4 50.8 -64.2 -46.6 23.0 -45.6 20.7 394 654 B P H 4>S+ 0 0 0 0, 0.0 5,-2.8 0, 0.0 3,-0.4 0.966 114.1 44.8 -56.6 -50.6 23.7 -43.1 23.4 395 655 B E H >45S+ 0 0 134 -6,-0.3 3,-1.7 1,-0.2 -2,-0.2 0.911 109.2 57.1 -58.3 -44.3 26.5 -45.1 24.8 396 656 B K H 3<5S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.858 112.0 41.7 -56.2 -37.2 27.9 -45.7 21.3 397 657 B F T 3<5S- 0 0 36 -4,-1.9 118,-0.4 -3,-0.4 -1,-0.3 0.140 120.7-102.0-101.1 21.3 28.2 -42.0 20.7 398 658 B G T < 5 + 0 0 40 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.669 68.8 148.0 73.0 18.1 29.5 -41.0 24.1 399 659 B C < - 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 113,-0.1 -0.766 42.8-132.4 -88.0 126.4 26.3 -39.6 25.6 400 660 B R > - 0 0 148 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.405 15.9-117.4 -75.8 154.2 26.2 -40.2 29.4 401 661 B E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 116.1 46.9 -54.4 -49.2 23.2 -41.7 31.1 402 662 B Q H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.853 109.5 54.3 -64.7 -35.6 22.6 -38.5 33.2 403 663 B T H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 108.4 49.2 -64.6 -44.3 23.1 -36.3 30.1 404 664 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.926 113.4 46.8 -60.2 -46.1 20.4 -38.2 28.2 405 665 B L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 111.1 50.5 -64.7 -42.1 18.0 -37.9 31.2 406 666 B N H X S+ 0 0 10 -4,-2.7 4,-2.7 103,-0.3 5,-0.2 0.918 110.3 51.6 -61.4 -41.7 18.7 -34.2 31.7 407 667 B F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 109.1 49.5 -59.3 -47.3 18.0 -33.7 27.9 408 668 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 115.0 44.3 -59.8 -41.9 14.7 -35.6 28.2 409 669 B L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.831 110.4 53.3 -74.0 -32.9 13.6 -33.5 31.2 410 670 B Q H X S+ 0 0 7 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.878 111.9 47.2 -68.8 -35.6 14.8 -30.2 29.7 411 671 B C H >< S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 4,-0.2 0.957 109.9 52.8 -66.4 -49.7 12.7 -31.0 26.6 412 672 B R H >< S+ 0 0 45 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.865 101.9 59.7 -53.2 -41.5 9.7 -31.9 28.9 413 673 B R H 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.772 102.7 54.3 -58.9 -28.2 9.9 -28.6 30.7 414 674 B R T << S+ 0 0 53 -3,-1.5 50,-1.6 -4,-0.7 2,-0.4 0.366 87.3 92.9 -92.2 4.8 9.3 -26.8 27.4 415 675 B Y < - 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0 0 54 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.488 38.9-109.7 -86.3 163.9 23.9 -44.8 9.5 448 708 B E H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 120.4 55.4 -63.4 -34.5 23.7 -45.4 13.3 449 709 B L H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 107.5 49.3 -63.6 -42.3 24.5 -41.8 13.9 450 710 B E H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.880 108.9 52.1 -65.2 -37.2 21.5 -40.8 11.8 451 711 B C H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.931 111.9 47.2 -63.5 -43.9 19.3 -43.2 13.7 452 712 B Y H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 113.1 47.5 -61.5 -49.2 20.4 -41.7 16.9 453 713 B V H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.892 109.7 54.0 -61.7 -38.7 19.9 -38.1 15.7 454 714 B L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.908 110.2 46.1 -62.8 -42.3 16.4 -39.0 14.4 455 715 B L H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.898 114.5 47.4 -67.9 -39.8 15.3 -40.4 17.7 456 716 B V H >X S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.7 0.910 108.8 55.8 -65.4 -42.9 16.7 -37.4 19.6 457 717 B T H >X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.9 0.834 95.7 65.8 -59.8 -33.8 15.1 -35.0 17.1 458 718 B A H 3< S+ 0 0 0 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.893 99.5 52.9 -57.0 -38.1 11.7 -36.6 17.8 459 719 B L H << S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.704 116.2 36.6 -72.3 -20.8 11.9 -35.2 21.3 460 720 B V H X< S+ 0 0 0 -3,-0.9 3,-1.5 -4,-0.7 -1,-0.2 0.499 86.4 100.2-107.8 -5.1 12.6 -31.6 20.3 461 721 B H T 3< S+ 0 0 0 -4,-1.4 36,-0.2 -3,-0.3 -1,-0.1 0.615 93.8 27.9 -62.5 -15.0 10.4 -31.4 17.2 462 722 B D T > S+ 0 0 6 -4,-0.2 3,-1.5 -3,-0.2 -1,-0.3 0.124 81.5 166.0-129.9 21.0 7.5 -29.5 18.7 463 723 B L T < S+ 0 0 0 -3,-1.5 -48,-0.2 1,-0.2 37,-0.1 -0.064 70.1 0.7 -46.0 129.4 9.1 -27.6 21.6 464 724 B D T 3 S+ 0 0 32 -50,-1.6 -1,-0.2 1,-0.2 -49,-0.2 0.735 82.4 173.3 63.4 27.1 7.0 -24.9 23.2 465 725 B H < - 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0 0 37 -3,-0.8 3,-2.0 -4,-0.4 -107,-0.1 -0.615 32.4-177.8 -81.2 93.1 24.2 -32.0 25.4 512 772 B V T 3 S+ 0 0 0 -2,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.495 83.4 59.7 -69.9 -0.9 23.4 -35.5 24.0 513 773 B F T > S+ 0 0 1 -8,-0.2 3,-1.8 1,-0.1 -1,-0.3 0.173 72.1 114.2-105.9 13.3 26.0 -34.8 21.2 514 774 B E T < S+ 0 0 59 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.688 73.6 49.3 -59.1 -22.1 28.6 -34.4 23.9 515 775 B G T 3 S+ 0 0 41 -118,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.387 90.7 102.8-100.7 4.6 30.6 -37.4 22.8 516 776 B L S < S- 0 0 21 -3,-1.8 -3,-0.1 1,-0.1 -119,-0.0 -0.560 75.5-109.3 -89.7 152.3 30.7 -36.6 19.1 517 777 B S > - 0 0 63 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.268 38.4-104.0 -68.1 163.5 33.6 -35.2 17.1 518 778 B G H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.889 124.1 51.6 -58.1 -37.9 33.3 -31.6 16.0 519 779 B Q H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 111.3 45.9 -64.8 -45.0 32.6 -32.8 12.5 520 780 B D H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.801 108.6 57.2 -69.6 -28.8 29.9 -35.1 13.7 521 781 B V H X S+ 0 0 36 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 108.8 44.8 -66.9 -46.9 28.4 -32.4 15.9 522 782 B A H X S+ 0 0 18 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.917 115.1 49.3 -61.9 -42.0 27.9 -30.1 12.9 523 783 B Y H X S+ 0 0 61 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.912 110.7 50.3 -62.5 -44.1 26.6 -32.9 10.9 524 784 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.901 108.5 51.7 -62.9 -43.3 24.1 -33.9 13.6 525 785 B Y H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.916 109.6 49.1 -62.2 -43.1 22.8 -30.4 14.1 526 786 B R H X S+ 0 0 86 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.902 112.5 48.2 -64.9 -38.5 22.1 -30.0 10.3 527 787 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 112.6 48.5 -66.6 -43.4 20.3 -33.4 10.3 528 788 B L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.950 114.8 45.0 -59.9 -49.9 18.2 -32.5 13.4 529 789 B I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.918 111.1 52.9 -61.8 -44.7 17.3 -29.1 11.9 530 790 B D H X S+ 0 0 24 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.915 111.3 48.1 -57.3 -43.4 16.5 -30.5 8.5 531 791 B C H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.903 111.7 47.2 -66.4 -42.7 14.1 -33.0 10.1 532 792 B V H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.2 0.944 112.2 50.2 -65.2 -45.9 12.3 -30.5 12.3 533 793 B L H >< S+ 0 0 11 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.832 102.7 62.9 -61.4 -29.9 11.8 -28.1 9.4 534 794 B A T 3< S+ 0 0 7 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.633 87.4 72.2 -69.9 -14.0 10.5 -31.0 7.3 535 795 B T T < + 0 0 4 -3,-1.7 2,-0.6 -4,-0.5 -1,-0.2 0.533 65.0 113.8 -80.5 -4.4 7.5 -31.4 9.7 536 796 B D X - 0 0 9 -3,-1.3 3,-2.2 -4,-0.2 4,-0.1 -0.558 62.5-149.6 -67.5 111.4 5.9 -28.2 8.5 537 797 B M G > S+ 0 0 78 -2,-0.6 3,-1.2 1,-0.3 4,-0.3 0.621 89.7 75.2 -62.3 -11.5 2.8 -29.6 6.8 538 798 B A G 3 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.725 97.8 48.9 -71.3 -18.2 2.7 -26.8 4.3 539 799 B K G <> S+ 0 0 71 -3,-2.2 4,-2.8 1,-0.1 -1,-0.3 0.333 82.4 105.5 -99.7 4.9 5.6 -28.6 2.7 540 800 B H H <> S+ 0 0 24 -3,-1.2 4,-2.8 1,-0.2 5,-0.3 0.915 76.6 47.3 -53.1 -56.1 3.8 -32.0 2.7 541 801 B A H > S+ 0 0 80 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.918 117.1 44.4 -53.9 -46.1 2.9 -32.3 -1.0 542 802 B D H > S+ 0 0 88 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.889 112.0 53.0 -66.2 -40.0 6.4 -31.3 -2.0 543 803 B A H X S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.907 111.3 45.6 -62.3 -43.7 7.9 -33.7 0.6 544 804 B L H X S+ 0 0 21 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.912 112.3 52.4 -66.2 -42.0 5.9 -36.6 -0.7 545 805 B S H X S+ 0 0 68 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.919 110.2 47.1 -59.5 -46.2 6.8 -35.7 -4.3 546 806 B R H X S+ 0 0 92 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.885 111.3 51.6 -64.5 -39.7 10.5 -35.6 -3.6 547 807 B F H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.946 109.5 49.9 -61.6 -48.6 10.3 -38.9 -1.7 548 808 B T H X S+ 0 0 43 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.898 110.0 50.5 -57.5 -42.4 8.5 -40.6 -4.6 549 809 B E H X S+ 0 0 130 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.892 111.0 49.3 -64.3 -39.9 11.1 -39.3 -7.1 550 810 B L H X S+ 0 0 13 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.944 112.5 47.5 -63.6 -47.7 13.9 -40.6 -4.9 551 811 B A H < S+ 0 0 19 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.909 115.0 44.4 -60.5 -45.5 12.3 -44.0 -4.6 552 812 B T H < S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 113.7 50.3 -72.1 -28.5 11.6 -44.4 -8.3 553 813 B S H < S- 0 0 98 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.739 125.3 -91.0 -81.3 -24.3 15.0 -43.1 -9.4 554 814 B G < - 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