==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-11 3QVD . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR B.D.DILLARD,J.M.DEMICK,M.W.W.ADAMS,W.N.LANZILOTTA . 1360 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1071 78.8 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 . 80 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 38 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 827 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.5 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 0 0 0 0 0 0 0 7 1 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 5 3 8 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 . 8 0 16 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 8 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 2 A V 0 0 91 0, 0.0 61,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 134.8 51.3 -12.1 38.5 2 3 A V + 0 0 6 59,-2.8 268,-0.0 1,-0.1 0, 0.0 -0.472 360.0 169.9 -68.6 134.5 48.8 -12.9 35.7 3 4 A K + 0 0 173 -2,-0.2 -1,-0.1 5,-0.0 2,-0.1 0.670 37.9 104.2-120.8 -24.8 50.4 -12.7 32.3 4 5 A R > - 0 0 88 1,-0.1 4,-2.3 264,-0.1 5,-0.2 -0.419 69.7-130.9 -63.8 134.0 48.0 -14.1 29.7 5 6 A T H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 100.4 44.4 -53.0 -53.5 46.4 -11.3 27.7 6 7 A M H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 115.1 47.3 -63.1 -45.6 42.8 -12.2 27.9 7 8 A T H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.883 112.2 51.2 -63.5 -37.4 42.8 -13.0 31.6 8 9 A K H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.927 110.9 48.5 -64.2 -44.9 44.7 -9.8 32.3 9 10 A K H X S+ 0 0 65 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.901 112.1 49.1 -60.7 -42.3 42.1 -7.9 30.4 10 11 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.905 110.1 50.0 -66.4 -42.1 39.3 -9.6 32.3 11 12 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.871 109.5 53.0 -65.0 -33.3 40.9 -8.9 35.6 12 13 A E H X S+ 0 0 74 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 110.7 46.0 -66.9 -41.3 41.2 -5.3 34.6 13 14 A E H X S+ 0 0 41 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.897 112.3 51.1 -66.8 -39.5 37.5 -5.1 33.7 14 15 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.848 107.5 53.3 -65.6 -35.5 36.6 -6.8 37.0 15 16 A F H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.923 111.7 45.4 -64.7 -43.8 38.7 -4.3 38.9 16 17 A A H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 114.1 49.4 -64.9 -42.2 36.8 -1.5 37.3 17 18 A G H X S+ 0 0 17 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 112.7 46.3 -63.3 -44.1 33.5 -3.3 37.9 18 19 A E H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.872 110.9 53.6 -65.2 -39.7 34.4 -3.9 41.6 19 20 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.906 111.7 44.2 -63.7 -42.5 35.5 -0.2 42.0 20 21 A M H X S+ 0 0 46 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.860 112.4 51.4 -71.7 -35.1 32.2 1.1 40.6 21 22 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 111.6 48.4 -65.8 -44.0 30.1 -1.3 42.7 22 23 A H H X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.923 113.2 48.4 -60.2 -44.7 32.0 -0.2 45.8 23 24 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.2 0.927 109.7 50.5 -63.8 -47.6 31.5 3.4 44.8 24 25 A R H X S+ 0 0 47 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.919 108.9 53.1 -57.9 -42.3 27.8 3.1 44.2 25 26 A Y H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.843 106.9 50.9 -64.1 -33.2 27.3 1.4 47.6 26 27 A L H X S+ 0 0 43 -4,-1.6 4,-1.5 -3,-0.2 -1,-0.2 0.882 113.4 46.5 -69.8 -37.5 29.1 4.2 49.4 27 28 A I H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 114.2 47.3 -67.7 -45.3 26.7 6.7 47.6 28 29 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.838 107.8 55.9 -65.1 -36.3 23.7 4.5 48.4 29 30 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.900 107.9 48.7 -63.8 -41.5 24.7 4.1 52.0 30 31 A E H X S+ 0 0 58 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.923 113.4 46.8 -64.1 -44.3 24.8 7.9 52.4 31 32 A K H X S+ 0 0 59 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.878 111.1 51.3 -66.0 -39.0 21.3 8.2 50.8 32 33 A A H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.7 0.898 108.8 51.6 -65.4 -39.3 19.9 5.4 52.9 33 34 A E H <5S+ 0 0 86 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.867 110.0 49.5 -64.3 -36.7 21.1 7.1 56.0 34 35 A Q H <5S+ 0 0 138 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.744 109.4 52.7 -74.3 -24.4 19.5 10.3 54.9 35 36 A E H <5S- 0 0 62 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.543 123.6 -99.4 -89.1 -8.3 16.2 8.5 54.2 36 37 A G T <5S+ 0 0 49 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.1 0.758 87.2 119.2 97.1 27.5 16.0 6.9 57.7 37 38 A F >< + 0 0 22 -5,-2.7 4,-2.2 1,-0.1 5,-0.2 -0.623 25.1 162.7-122.8 70.3 17.3 3.4 57.0 38 39 A P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.831 76.1 50.1 -58.3 -35.5 20.4 3.2 59.2 39 40 A N H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.864 110.8 48.2 -73.7 -35.4 20.6 -0.6 59.0 40 41 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 111.4 51.7 -69.8 -35.5 20.3 -0.7 55.2 41 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.909 108.4 51.1 -65.0 -41.0 23.0 2.0 55.2 42 43 A K H X S+ 0 0 24 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.868 108.9 52.2 -62.2 -38.6 25.1 -0.2 57.4 43 44 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.910 108.4 50.0 -64.5 -44.7 24.6 -3.1 55.0 44 45 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 110.9 49.1 -62.1 -42.3 25.7 -1.0 52.0 45 46 A R H X S+ 0 0 95 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.880 111.2 49.2 -66.6 -39.1 28.9 0.1 53.7 46 47 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.940 113.1 45.8 -66.9 -46.3 29.8 -3.4 54.8 47 48 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.882 106.9 60.0 -65.1 -34.3 29.3 -4.8 51.3 48 49 A A H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.906 105.0 49.6 -58.7 -39.7 31.2 -1.8 49.9 49 50 A Y H X S+ 0 0 50 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.874 106.0 55.8 -66.2 -36.3 34.2 -3.1 52.0 50 51 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.863 106.6 50.4 -63.8 -34.0 33.7 -6.6 50.6 51 52 A E H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.815 104.4 58.2 -73.1 -30.3 34.0 -5.1 47.1 52 53 A F H X S+ 0 0 12 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.910 106.4 49.3 -62.1 -42.5 37.2 -3.3 48.2 53 54 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 111.8 47.8 -63.0 -44.8 38.6 -6.8 49.0 54 55 A H H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 114.3 46.4 -60.9 -49.1 37.6 -8.2 45.6 55 56 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.932 112.2 50.0 -59.5 -49.3 39.1 -5.2 43.8 56 57 A K H X S+ 0 0 29 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.894 108.6 53.9 -58.3 -40.9 42.3 -5.3 45.8 57 58 A N H X S+ 0 0 28 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.932 112.0 42.7 -60.6 -47.2 42.6 -9.1 45.1 58 59 A H H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.915 112.6 55.5 -63.6 -41.9 42.4 -8.6 41.3 59 60 A F H <>S+ 0 0 2 -4,-2.7 5,-2.1 1,-0.2 6,-0.3 0.912 110.3 44.2 -56.1 -48.2 44.7 -5.6 41.6 60 61 A I H ><5S+ 0 0 79 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.860 108.7 57.5 -66.9 -36.8 47.4 -7.7 43.3 61 62 A A H 3<5S+ 0 0 2 -4,-2.0 -59,-2.8 1,-0.3 -1,-0.2 0.837 104.4 52.6 -64.3 -31.0 46.9 -10.5 40.8 62 63 A L T 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -61,-0.2 -2,-0.2 0.522 115.1-122.8 -79.9 -6.0 47.7 -8.1 38.0 63 64 A G T < 5S+ 0 0 40 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.793 71.6 132.6 69.1 29.3 50.9 -7.2 40.0 64 65 A K < + 0 0 88 -5,-2.1 2,-0.5 2,-0.1 -4,-0.2 0.513 42.6 89.3 -90.4 -5.8 49.9 -3.5 40.1 65 66 A L + 0 0 43 -6,-0.3 2,-0.2 -5,-0.1 3,-0.1 -0.811 51.5 150.8 -96.3 129.0 50.6 -3.1 43.8 66 67 A G - 0 0 27 -2,-0.5 2,-0.1 1,-0.2 -2,-0.1 -0.444 49.0 -46.8-131.2-154.7 54.1 -2.0 44.8 67 68 A K >> - 0 0 138 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.444 63.6 -98.2 -80.5 159.6 56.0 -0.1 47.5 68 69 A T H 3> S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.844 122.4 54.7 -47.3 -45.5 54.6 3.3 48.6 69 70 A P H 3> S+ 0 0 17 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.938 113.1 43.4 -57.2 -44.3 57.1 5.3 46.4 70 71 A E H <> S+ 0 0 101 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.831 113.4 51.8 -68.6 -32.8 55.9 3.3 43.3 71 72 A N H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.936 107.4 51.8 -69.6 -43.7 52.3 3.6 44.4 72 73 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.837 107.9 54.1 -58.9 -32.8 52.6 7.4 44.8 73 74 A Q H X S+ 0 0 56 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.884 104.3 52.1 -69.9 -40.0 54.1 7.4 41.2 74 75 A M H X S+ 0 0 61 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.903 112.2 49.4 -61.5 -37.6 51.0 5.6 39.9 75 76 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.913 107.9 51.7 -66.5 -44.5 49.1 8.4 41.6 76 77 A I H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 112.5 46.2 -58.7 -47.1 51.2 11.2 40.1 77 78 A E H X S+ 0 0 121 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.907 114.2 46.9 -64.3 -42.6 50.7 9.8 36.6 78 79 A G H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.945 115.2 44.8 -64.7 -48.8 47.0 9.3 37.0 79 80 A E H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.921 113.6 51.2 -60.9 -43.7 46.3 12.7 38.5 80 81 A T H X S+ 0 0 27 -4,-2.6 4,-2.5 -5,-0.3 5,-0.4 0.863 108.2 52.4 -62.6 -36.5 48.6 14.3 35.9 81 82 A F H X>S+ 0 0 74 -4,-2.1 4,-2.3 1,-0.2 5,-1.8 0.933 111.2 46.7 -64.7 -44.6 46.6 12.5 33.1 82 83 A E H <>S+ 0 0 11 -4,-2.3 5,-1.6 3,-0.2 -2,-0.2 0.860 115.2 46.5 -66.4 -34.9 43.3 13.9 34.5 83 84 A V H <5S+ 0 0 29 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.925 124.6 27.8 -73.0 -46.8 44.7 17.4 34.9 84 85 A E H <5S+ 0 0 116 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.742 136.9 11.9 -89.1 -27.5 46.4 17.8 31.5 85 86 A E T X5S+ 0 0 15 -4,-2.3 4,-1.3 -5,-0.4 -3,-0.2 0.794 119.2 39.6-116.3 -65.3 44.3 15.4 29.3 86 87 A M H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.937 115.2 41.9 -59.2 -40.9 40.1 19.7 30.2 89 90 A V H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.898 115.6 47.2 -71.5 -41.7 38.8 17.8 27.2 90 91 A Y H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.882 114.3 49.4 -67.3 -36.7 35.6 16.4 29.0 91 92 A N H X S+ 0 0 33 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.938 111.5 47.4 -66.2 -46.4 35.0 19.9 30.3 92 93 A K H X S+ 0 0 55 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.866 112.4 51.0 -63.0 -36.6 35.4 21.5 26.9 93 94 A A H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.935 109.7 48.1 -66.9 -46.9 33.1 18.9 25.4 94 95 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.2 0.912 112.8 49.8 -59.9 -41.5 30.4 19.5 28.0 95 96 A E H ><5S+ 0 0 94 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.958 110.1 51.0 -59.7 -49.6 30.7 23.2 27.4 96 97 A F H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 113.4 44.2 -57.5 -34.9 30.4 22.6 23.7 97 98 A Q T 3<5S- 0 0 4 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.292 113.0-117.5 -95.9 10.1 27.3 20.5 24.1 98 99 A G T < 5 + 0 0 22 -3,-1.7 2,-1.4 -4,-0.2 -3,-0.2 0.682 62.1 148.2 65.0 21.6 25.7 22.9 26.6 99 100 A E >< + 0 0 3 -5,-2.2 4,-2.1 1,-0.2 3,-0.3 -0.680 20.4 179.5 -90.8 86.5 25.6 20.5 29.5 100 101 A K H > S+ 0 0 141 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.835 77.6 56.7 -55.4 -39.1 26.1 22.9 32.4 101 102 A E H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 110.4 43.4 -60.6 -44.6 25.9 20.1 35.0 102 103 A A H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 5,-0.3 0.827 108.9 58.5 -70.5 -33.0 28.7 18.2 33.4 103 104 A V H X S+ 0 0 41 -4,-2.1 4,-1.5 -9,-0.2 -1,-0.2 0.922 110.6 44.5 -61.5 -40.9 30.7 21.5 33.0 104 105 A R H X S+ 0 0 113 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.939 112.0 47.9 -69.9 -49.6 30.4 21.9 36.7 105 106 A T H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.872 115.5 46.0 -62.2 -36.5 31.3 18.3 37.9 106 107 A T H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.842 112.5 50.3 -74.6 -33.0 34.3 18.2 35.6 107 108 A H H X S+ 0 0 73 -4,-1.5 4,-2.2 -5,-0.3 5,-0.2 0.931 110.9 50.6 -67.5 -44.5 35.5 21.7 36.6 108 109 A Y H X S+ 0 0 35 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.945 114.4 42.8 -55.8 -53.3 35.1 20.6 40.3 109 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.934 111.2 55.8 -60.7 -48.8 37.2 17.4 39.7 110 111 A L H X S+ 0 0 17 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.898 105.7 48.7 -52.3 -51.8 39.8 19.2 37.6 111 112 A E H X S+ 0 0 52 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.880 114.4 47.5 -61.0 -36.1 40.7 21.9 40.1 112 113 A A H >X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.2 3,-0.6 0.898 104.7 58.1 -72.9 -38.3 41.1 19.2 42.8 113 114 A E H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.818 99.2 61.4 -61.0 -29.3 43.2 16.8 40.7 114 115 A K H 3X S+ 0 0 100 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.902 107.4 43.9 -61.9 -41.1 45.7 19.7 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