==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-08 3EVY . COMPND 2 MOLECULE: PUTATIVE TYPE I RESTRICTION ENZYME R PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,S.MILLER,P.SAMPATHKUMAR, . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 71.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 60.5 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+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 0 2 0 0 0 0 0 0 1 0 1 0 0 0 0 2 0 1 1 0 0 0 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 1 662 A M 0 0 140 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.3 50.6 43.6 -2.6 2 663 A K >> - 0 0 106 1,-0.1 4,-2.3 4,-0.0 3,-1.0 -0.335 360.0-108.6 -72.3 149.5 47.8 42.8 -0.1 3 664 A P H 3> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.822 117.6 51.6 -40.4 -48.7 48.0 39.8 2.3 4 665 A Y H 3> S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.846 109.3 48.1 -59.2 -43.8 45.4 37.8 0.3 5 666 A E H <> S+ 0 0 91 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.906 109.7 54.1 -67.4 -44.1 47.1 38.2 -3.1 6 667 A K H X S+ 0 0 105 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.902 110.7 44.9 -52.3 -52.1 50.4 37.1 -1.5 7 668 A L H X S+ 0 0 10 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.808 109.9 54.9 -66.9 -35.3 48.9 33.9 -0.2 8 669 A V H X S+ 0 0 17 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.923 108.4 50.1 -61.9 -41.9 47.1 33.2 -3.5 9 670 A E H X S+ 0 0 93 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.929 111.8 46.8 -63.1 -48.7 50.4 33.5 -5.3 10 671 A R H X S+ 0 0 134 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.873 112.2 51.2 -53.3 -46.0 52.1 31.1 -2.9 11 672 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.937 109.7 50.2 -62.2 -42.0 49.1 28.6 -3.2 12 673 A N H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.835 111.2 47.0 -70.3 -34.4 49.3 28.6 -6.9 13 674 A E H X S+ 0 0 103 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.905 113.5 48.9 -67.7 -45.7 53.0 27.9 -7.0 14 675 A M H X S+ 0 0 45 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.898 111.9 50.7 -56.7 -43.2 52.6 25.1 -4.5 15 676 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.911 107.5 49.8 -66.3 -44.3 49.7 23.7 -6.5 16 677 A A H X S+ 0 0 59 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.853 115.0 46.6 -67.1 -32.4 51.5 23.6 -9.9 17 678 A E H X S+ 0 0 117 -4,-1.6 4,-0.8 2,-0.2 3,-0.5 0.942 111.5 49.6 -70.0 -49.9 54.4 21.9 -8.1 18 679 A F H >X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 3,-1.2 0.919 110.7 52.0 -47.5 -51.6 52.0 19.4 -6.4 19 680 A L H 3< S+ 0 0 50 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.774 100.5 60.9 -61.1 -28.2 50.3 18.7 -9.8 20 681 A S H 3< S+ 0 0 91 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.717 114.8 36.5 -73.6 -16.4 53.8 17.9 -11.4 21 682 A Y H << S+ 0 0 132 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.800 132.4 24.9 -95.8 -39.7 54.1 15.1 -8.8 22 683 A F < + 0 0 5 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.785 67.3 175.6-131.5 78.6 50.4 13.9 -8.7 23 684 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.722 67.0 14.9 -63.0 -25.9 48.8 14.9 -11.9 24 685 A T S > S- 0 0 65 1,-0.1 4,-0.8 51,-0.0 47,-0.0 -0.894 78.7-107.2-142.8 169.6 45.4 13.2 -11.2 25 686 A V H >> S+ 0 0 32 -2,-0.3 4,-1.5 1,-0.2 3,-1.2 0.951 119.2 54.0 -67.0 -41.8 43.5 11.7 -8.2 26 687 A K H 3> S+ 0 0 161 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.850 97.2 65.4 -61.9 -36.0 44.1 8.2 -9.4 27 688 A S H 34 S+ 0 0 23 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.819 100.7 51.5 -55.6 -30.6 47.9 8.8 -9.5 28 689 A V H X< S+ 0 0 2 -3,-1.2 3,-1.7 -4,-0.8 -1,-0.2 0.942 105.5 54.9 -70.5 -47.3 47.7 9.2 -5.7 29 690 A G H 3< S+ 0 0 42 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.821 105.2 55.2 -49.3 -34.9 45.9 5.9 -5.5 30 691 A N T 3< S+ 0 0 115 -4,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.543 76.1 122.0 -81.8 -7.9 48.8 4.3 -7.5 31 692 A L < + 0 0 29 -3,-1.7 -3,-0.0 -4,-0.3 3,-0.0 -0.288 33.5 175.0 -55.0 135.6 51.6 5.4 -5.1 32 693 A E + 0 0 172 1,-0.0 -1,-0.1 0, 0.0 5,-0.0 0.792 48.6 73.6-114.3 -50.4 53.5 2.4 -3.8 33 694 A S S > S- 0 0 56 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.336 74.6-131.7 -65.7 148.3 56.5 3.4 -1.6 34 695 A E H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.824 108.0 60.1 -65.5 -29.5 55.8 4.7 1.8 35 696 A L H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 106.6 47.0 -65.5 -40.6 58.1 7.7 1.1 36 697 A D H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 111.1 50.5 -65.6 -43.8 55.9 8.7 -1.8 37 698 A K H X S+ 0 0 54 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 112.0 48.3 -59.6 -41.6 52.7 8.3 0.3 38 699 A R H X S+ 0 0 90 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.891 108.6 53.8 -63.5 -39.3 54.3 10.5 3.0 39 700 A R H X S+ 0 0 105 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.905 110.5 47.2 -59.6 -43.6 55.4 13.1 0.4 40 701 A F H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.964 111.9 48.6 -66.3 -53.6 51.8 13.3 -0.8 41 702 A V H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.911 114.5 46.5 -47.8 -47.9 50.3 13.6 2.7 42 703 A I H X S+ 0 0 116 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.935 116.1 44.4 -67.6 -42.8 52.9 16.4 3.6 43 704 A L H X S+ 0 0 54 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.894 114.6 47.9 -65.7 -44.4 52.4 18.3 0.4 44 705 A F H X S+ 0 0 0 -4,-3.4 4,-3.1 -5,-0.2 5,-0.2 0.894 107.2 56.5 -70.1 -38.4 48.7 18.0 0.5 45 706 A R H X S+ 0 0 115 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.936 108.9 47.7 -53.5 -43.7 48.5 19.1 4.2 46 707 A A H X S+ 0 0 50 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.858 114.1 45.2 -66.6 -42.2 50.4 22.3 3.4 47 708 A M H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.910 111.9 53.3 -62.7 -44.5 48.1 23.1 0.4 48 709 A L H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.925 110.9 46.0 -59.9 -42.1 45.1 22.3 2.5 49 710 A R H X S+ 0 0 62 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.909 114.7 47.0 -68.1 -37.0 46.2 24.7 5.3 50 711 A L H X S+ 0 0 5 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.888 110.0 52.7 -75.9 -39.1 47.0 27.5 2.8 51 712 A R H X S+ 0 0 1 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.932 111.1 47.0 -58.8 -43.5 43.7 27.0 1.0 52 713 A N H < S+ 0 0 6 -4,-2.2 4,-0.4 113,-0.3 -2,-0.2 0.881 109.5 56.1 -68.0 -31.6 41.8 27.3 4.3 53 714 A E H >< S+ 0 0 56 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.937 106.7 46.9 -67.6 -48.8 43.8 30.4 5.1 54 715 A V H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.828 105.4 60.8 -62.7 -29.3 42.8 32.2 1.8 55 716 A K T 3< S+ 0 0 29 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.658 90.0 73.1 -70.5 -11.6 39.2 31.2 2.5 56 717 A G T < S+ 0 0 0 -3,-1.2 2,-0.4 -4,-0.4 81,-0.3 0.263 83.1 88.3 -84.3 13.9 39.6 33.2 5.6 57 718 A Y S X S- 0 0 32 -3,-1.4 3,-2.1 1,-0.1 77,-0.1 -0.918 77.7-132.7-112.2 142.4 39.5 36.5 3.6 58 719 A N T 3 S+ 0 0 84 -2,-0.4 -1,-0.1 76,-0.4 76,-0.1 0.803 108.5 55.5 -56.7 -32.1 36.5 38.6 2.6 59 720 A E T 3 S+ 0 0 71 75,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.329 77.9 143.8 -88.6 9.7 37.8 38.8 -1.0 60 721 A F < + 0 0 46 -3,-2.1 2,-0.4 -6,-0.1 -5,-0.1 -0.181 20.5 174.0 -54.3 130.2 38.1 34.9 -1.4 61 722 A D > - 0 0 76 1,-0.1 3,-2.6 -7,-0.0 4,-0.2 -0.942 28.7-148.7-140.9 117.3 37.3 33.7 -4.9 62 723 A A G > S+ 0 0 31 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.793 97.5 67.4 -51.4 -34.4 37.8 30.0 -5.7 63 724 A E G 3 S+ 0 0 160 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.666 87.2 68.6 -62.3 -13.1 38.5 31.1 -9.3 64 725 A D G < S+ 0 0 60 -3,-2.6 2,-0.4 2,-0.1 -1,-0.3 0.606 93.8 75.9 -81.5 -12.2 41.7 32.7 -8.0 65 726 A L S < S- 0 0 15 -3,-2.0 2,-0.1 -4,-0.2 4,-0.1 -0.854 80.8-122.0-111.1 140.3 43.1 29.3 -7.2 66 727 A T S S+ 0 0 51 -2,-0.4 -2,-0.1 2,-0.1 -51,-0.0 -0.426 87.3 42.3 -64.1 145.0 44.6 26.4 -9.4 67 728 A I S S- 0 0 22 -2,-0.1 -2,-0.1 -4,-0.1 -52,-0.0 0.739 91.9-105.4 78.2 118.6 42.6 23.2 -8.9 68 729 A E > - 0 0 146 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.318 29.3-111.2 -70.5 156.9 38.9 23.3 -8.8 69 730 A E H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 117.5 46.4 -53.0 -48.9 37.1 22.9 -5.4 70 731 A Q H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 113.4 47.0 -61.0 -53.3 35.6 19.5 -6.3 71 732 A R H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 112.4 51.7 -50.3 -44.2 38.9 18.1 -7.7 72 733 A F H X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.927 108.1 51.8 -64.6 -45.0 40.7 19.4 -4.6 73 734 A A H X S+ 0 0 30 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.830 105.7 55.8 -55.4 -38.7 38.1 17.6 -2.4 74 735 A D H X S+ 0 0 66 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.906 108.7 45.7 -63.8 -41.5 38.8 14.4 -4.4 75 736 A Y H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.894 109.9 57.5 -63.0 -35.1 42.5 14.7 -3.5 76 737 A Q H X S+ 0 0 28 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.910 98.8 57.4 -67.9 -37.4 41.4 15.4 0.1 77 738 A S H X S+ 0 0 64 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.934 109.0 47.1 -56.3 -42.4 39.4 12.1 0.3 78 739 A K H X S+ 0 0 69 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.868 111.1 51.2 -63.2 -40.6 42.7 10.3 -0.5 79 740 A Y H X S+ 0 0 22 -4,-1.9 4,-1.4 2,-0.2 3,-0.3 0.948 107.9 51.8 -65.3 -45.8 44.5 12.4 2.0 80 741 A L H < S+ 0 0 90 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 114.2 43.3 -59.0 -38.1 41.9 11.6 4.7 81 742 A D H < S+ 0 0 140 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.775 116.1 50.4 -71.3 -28.0 42.3 7.8 4.1 82 743 A M H < 0 0 34 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.599 360.0 360.0 -92.8 -15.8 46.0 8.1 3.9 83 744 A S < 0 0 93 -4,-1.4 -3,-0.2 -3,-0.2 -2,-0.1 0.769 360.0 360.0-113.1 360.0 46.8 10.0 7.0 84 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 661 B L 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.4 30.6 59.7 15.1 86 662 B M - 0 0 118 1,-0.1 3,-0.0 4,-0.1 0, 0.0 -0.279 360.0-152.7 -51.8 132.6 30.6 55.8 15.1 87 663 B K > - 0 0 45 1,-0.1 4,-1.9 0, 0.0 5,-0.2 -0.731 23.5-107.4-111.2 156.5 33.5 54.6 12.8 88 664 B P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.871 113.5 56.8 -47.6 -52.8 34.1 51.5 10.8 89 665 B Y H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.956 110.0 44.2 -48.5 -58.2 36.8 50.0 13.0 90 666 B E H > S+ 0 0 101 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.873 111.2 53.9 -56.6 -38.6 34.4 50.0 16.1 91 667 B K H X S+ 0 0 39 -4,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.915 113.4 44.0 -63.7 -39.3 31.5 48.7 14.1 92 668 B L H X S+ 0 0 11 -4,-2.3 4,-2.1 -3,-0.4 -2,-0.2 0.869 111.3 50.4 -72.9 -42.9 33.7 45.8 13.0 93 669 B V H X S+ 0 0 12 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.872 111.5 50.8 -63.0 -36.0 35.3 45.0 16.4 94 670 B E H X S+ 0 0 83 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.869 109.3 50.0 -69.9 -36.4 31.8 44.9 18.0 95 671 B R H X S+ 0 0 117 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.899 110.2 50.3 -67.2 -39.5 30.5 42.6 15.4 96 672 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 109.8 51.8 -64.5 -44.4 33.5 40.3 16.0 97 673 B N H X S+ 0 0 37 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.863 107.2 50.0 -65.5 -37.5 32.9 40.3 19.6 98 674 B E H X S+ 0 0 133 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.918 113.9 47.8 -61.9 -42.5 29.2 39.3 19.3 99 675 B M H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.860 109.4 54.2 -60.7 -38.5 30.3 36.5 17.0 100 676 B A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.900 106.2 49.7 -68.4 -42.4 33.0 35.5 19.5 101 677 B A H X S+ 0 0 61 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.951 113.9 46.8 -62.6 -47.7 30.6 35.2 22.5 102 678 B E H X S+ 0 0 93 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.920 113.4 49.2 -52.9 -47.8 28.3 33.0 20.3 103 679 B F H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-1.6 0.942 107.4 54.2 -61.4 -47.4 31.3 30.9 19.1 104 680 B L H 3< S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 97.4 63.4 -64.9 -28.6 32.6 30.4 22.7 105 681 B S H 3< S+ 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.810 116.4 32.5 -61.4 -24.0 29.2 29.0 23.8 106 682 B Y H << S+ 0 0 111 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.807 135.6 24.2 -93.8 -40.2 29.9 26.1 21.3 107 683 B F < + 0 0 3 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 -0.726 67.0 171.5-133.6 72.7 33.7 25.9 21.5 108 684 B P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.760 68.9 17.1 -64.6 -22.3 34.7 27.3 24.9 109 685 B T S > S- 0 0 52 1,-0.1 4,-0.9 -5,-0.0 5,-0.1 -0.938 76.0-112.4-142.3 163.8 38.3 26.2 24.5 110 686 B V H >> S+ 0 0 25 -2,-0.3 4,-2.1 1,-0.2 3,-0.8 0.911 119.0 57.5 -61.6 -38.8 40.9 25.0 21.9 111 687 B K H 3> S+ 0 0 164 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.887 98.9 59.1 -60.0 -39.8 40.8 21.6 23.5 112 688 B S H 34 S+ 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-4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.922 108.4 49.4 -59.2 -47.9 32.9 20.1 12.8 123 699 B R H X S+ 0 0 146 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.938 111.9 50.7 -57.1 -43.8 30.9 21.8 10.1 124 700 B R H X S+ 0 0 76 -4,-2.2 4,-2.8 -5,-0.2 5,-0.4 0.907 108.2 50.9 -61.0 -45.1 29.8 24.4 12.8 125 701 B F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.959 112.6 47.9 -59.5 -46.3 33.4 25.0 13.9 126 702 B V H X S+ 0 0 28 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 116.8 41.5 -59.4 -46.5 34.4 25.6 10.2 127 703 B I H X S+ 0 0 109 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.946 119.0 41.6 -72.7 -53.3 31.6 27.9 9.5 128 704 B L H X S+ 0 0 32 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.913 118.6 46.2 -56.2 -45.1 31.6 30.0 12.6 129 705 B F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.4 -2,-0.2 0.899 109.3 54.3 -71.8 -38.0 35.4 30.2 12.8 130 706 B R H X S+ 0 0 52 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.936 106.7 52.2 -59.8 -47.8 35.8 31.1 9.1 131 707 B A H X S+ 0 0 45 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.891 113.0 45.7 -52.8 -41.8 33.3 34.1 9.6 132 708 B M H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.906 110.0 52.4 -66.0 -43.4 35.4 35.3 12.5 133 709 B L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.903 106.1 53.2 -67.6 -37.2 38.7 35.0 10.8 134 710 B R H X S+ 0 0 68 -4,-2.3 4,-1.8 1,-0.2 -76,-0.4 0.887 113.8 45.5 -63.4 -33.9 37.4 37.0 7.8 135 711 B L H X S+ 0 0 7 -4,-1.3 4,-2.8 -5,-0.2 5,-0.2 0.945 111.6 49.5 -72.9 -42.3 36.5 39.7 10.3 136 712 B R H X S+ 0 0 25 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.890 111.2 50.7 -63.5 -39.3 39.8 39.5 12.2 137 713 B N H X S+ 0 0 41 -4,-2.8 4,-0.5 -81,-0.3 -1,-0.2 0.899 110.6 50.3 -66.6 -35.9 41.6 39.8 8.9 138 714 B E H >< S+ 0 0 65 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.971 112.8 44.0 -65.2 -52.9 39.5 42.8 8.0 139 715 B V H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 6,-0.2 0.788 102.1 67.4 -64.0 -29.4 40.2 44.7 11.3 140 716 B K H 3< S+ 0 0 54 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.680 90.3 64.6 -66.3 -17.9 43.9 43.8 11.3 141 717 B G T << S+ 0 0 68 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.288 83.9 97.9 -81.8 11.1 44.3 46.1 8.3 142 718 B Y S X S- 0 0 72 -3,-1.6 3,-1.9 1,-0.1 -3,-0.0 -0.828 74.6-137.3-104.6 135.5 43.3 49.1 10.4 143 719 B N T 3 S+ 0 0 175 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.846 105.3 56.2 -60.9 -29.5 46.0 51.3 11.8 144 720 B E T 3 S+ 0 0 110 2,-0.0 -1,-0.3 -5,-0.0 -4,-0.1 0.499 77.4 141.4 -81.4 1.7 44.2 51.4 15.1 145 721 B F < + 0 0 65 -3,-1.9 2,-0.4 -6,-0.2 -5,-0.1 -0.152 22.3 174.1 -52.9 128.8 44.1 47.6 15.4 146 722 B D > - 0 0 81 1,-0.1 3,-2.5 0, 0.0 4,-0.3 -0.979 30.1-145.9-134.8 120.4 44.6 46.5 19.0 147 723 B A G > S+ 0 0 15 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.767 98.9 67.7 -56.5 -23.2 44.2 42.7 20.0 148 724 B E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.681 86.9 67.0 -72.4 -18.8 42.8 43.8 23.4 149 725 B D G < S+ 0 0 62 -3,-2.5 2,-0.4 2,-0.0 -1,-0.3 0.586 91.5 81.3 -71.3 -11.2 39.8 45.2 21.6 150 726 B L S < S- 0 0 11 -3,-1.6 4,-0.1 -4,-0.3 -56,-0.1 -0.830 74.8-141.3-105.4 137.2 38.9 41.5 20.8 151 727 B T S S+ 0 0 66 -2,-0.4 2,-0.5 2,-0.1 -1,-0.1 0.815 91.0 64.0 -64.5 -36.4 37.2 39.1 23.1 152 728 B I S S- 0 0 1 1,-0.0 -2,-0.1 2,-0.0 -51,-0.0 -0.803 92.6-124.9 -92.8 127.8 39.3 36.1 22.0 153 729 B E > - 0 0 117 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.213 21.3-106.9 -71.3 165.8 42.9 36.7 22.9 154 730 B E H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.890 115.1 43.5 -61.5 -51.5 45.7 36.5 20.3 155 731 B Q H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 115.4 48.7 -64.5 -49.1 47.3 33.2 21.3 156 732 B R H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 112.4 49.9 -51.1 -50.4 44.0 31.4 21.7 157 733 B F H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.945 109.4 50.7 -59.9 -44.1 42.8 32.7 18.4 158 734 B A H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.886 112.7 47.5 -57.2 -40.7 46.1 31.5 16.7 159 735 B D H X S+ 0 0 67 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.873 112.6 46.8 -74.1 -40.3 45.5 28.0 18.3 160 736 B Y H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.897 111.6 54.1 -59.5 -44.1 41.9 27.9 17.2 161 737 B Q H X S+ 0 0 57 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.892 103.3 55.4 -62.2 -39.7 43.1 29.1 13.7 162 738 B S H X S+ 0 0 44 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.892 108.8 46.8 -61.3 -40.1 45.6 26.3 13.5 163 739 B K H < S+ 0 0 90 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.883 111.9 51.7 -64.0 -42.8 42.9 23.7 14.1 164 740 B Y H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.936 104.7 56.7 -57.6 -45.6 40.6 25.4 11.5 165 741 B L H 3< S+ 0 0 11 -4,-3.0 -113,-0.3 1,-0.3 -1,-0.2 0.838 106.4 50.8 -60.7 -31.5 43.5 25.3 8.9 166 742 B D T 3< S+ 0 0 48 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.3 0.585 85.0 113.0 -81.1 -10.0 43.7 21.6 9.3 167 743 B M < 0 0 38 -3,-1.9 -3,-0.0 -4,-0.5 -115,-0.0 -0.484 360.0 360.0 -74.1 127.4 40.0 20.9 8.7 168 744 B S 0 0 84 -2,-0.3 -1,-0.1 -92,-0.0 -95,-0.1 -0.101 360.0 360.0 -53.9 360.0 38.9 19.1 5.6