==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-MAY-10 3MW6 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN NMB1681; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR K.TAN,M.ZHOU,E.DUGGAN,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER . 681 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.7 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 . 6 0.9 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 . 2 0.3 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 . 12 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 8 0 3 1 11 8 0 3 3 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 6 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 5 1 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 6 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 3 A Q 0 0 247 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.3 -11.4 27.8 -4.0 2 4 A E - 0 0 112 4,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.522 360.0-156.5 -85.2 133.5 -13.4 24.8 -5.5 3 5 A T > - 0 0 89 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.567 28.6-117.7 -95.5 159.2 -15.8 22.7 -3.4 4 6 A A H > S+ 0 0 79 2,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.906 121.1 47.3 -59.9 -43.5 -16.9 19.1 -4.1 5 7 A L H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 111.4 52.2 -63.1 -42.5 -20.5 20.4 -4.6 6 8 A G H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 109.4 48.3 -58.8 -46.3 -19.1 23.1 -6.8 7 9 A A H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.870 112.2 48.2 -66.2 -38.4 -17.2 20.7 -9.0 8 10 A A H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.833 109.1 53.7 -71.6 -32.3 -20.2 18.4 -9.4 9 11 A L H X S+ 0 0 64 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.975 109.1 48.9 -63.4 -53.0 -22.5 21.4 -10.3 10 12 A K H X S+ 0 0 101 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 112.1 48.9 -51.9 -46.4 -20.1 22.4 -13.0 11 13 A S H X S+ 0 0 52 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.922 110.5 49.7 -59.2 -48.0 -20.0 18.8 -14.4 12 14 A A H < S+ 0 0 3 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.945 111.1 49.9 -57.1 -49.8 -23.8 18.5 -14.4 13 15 A V H >< S+ 0 0 76 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.909 109.7 51.7 -54.4 -46.0 -24.1 21.8 -16.2 14 16 A Q H >< S+ 0 0 87 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.830 98.1 65.7 -61.2 -32.8 -21.5 20.6 -18.8 15 17 A T T 3< S+ 0 0 5 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.603 80.1 81.4 -70.0 -9.9 -23.4 17.4 -19.4 16 18 A X T < S+ 0 0 69 -3,-1.4 2,-0.6 -4,-0.5 -1,-0.3 0.704 79.3 78.1 -66.7 -21.7 -26.3 19.4 -20.9 17 19 A S S <> S- 0 0 57 -3,-1.7 4,-3.8 -4,-0.2 5,-0.2 -0.828 73.1-153.9 -90.6 124.8 -24.3 19.5 -24.1 18 20 A K H > S+ 0 0 148 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.911 97.1 47.7 -64.7 -43.3 -24.6 16.2 -26.0 19 21 A K H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 116.9 44.5 -61.5 -41.5 -21.2 16.8 -27.7 20 22 A K H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 111.4 51.5 -72.7 -42.6 -19.7 17.7 -24.4 21 23 A Q H X S+ 0 0 0 -4,-3.8 4,-2.0 -7,-0.2 -1,-0.2 0.880 108.6 54.5 -58.5 -36.7 -21.4 14.8 -22.5 22 24 A T H X S+ 0 0 24 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.888 108.4 46.0 -66.6 -41.9 -20.0 12.4 -25.2 23 25 A E H X S+ 0 0 92 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.918 112.7 51.9 -63.7 -41.9 -16.4 13.5 -24.8 24 26 A X H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.880 108.9 50.2 -63.6 -37.2 -16.8 13.3 -21.0 25 27 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.913 111.5 47.2 -68.2 -43.9 -18.1 9.7 -21.2 26 28 A A H X S+ 0 0 21 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.942 113.0 48.3 -63.4 -49.4 -15.3 8.5 -23.4 27 29 A D H X S+ 0 0 118 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.925 112.7 49.7 -58.9 -44.7 -12.6 10.1 -21.3 28 30 A H H X S+ 0 0 48 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.975 115.4 43.0 -54.9 -53.7 -14.2 8.6 -18.2 29 31 A I H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 8,-0.3 0.894 117.0 42.9 -65.3 -46.2 -14.4 5.1 -19.8 30 32 A Y H < S+ 0 0 51 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.756 118.3 48.8 -71.7 -22.9 -10.9 5.0 -21.4 31 33 A G H < S+ 0 0 53 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.881 121.3 30.8 -81.6 -41.1 -9.5 6.5 -18.2 32 34 A K H < S+ 0 0 122 -4,-2.8 2,-0.6 -5,-0.2 -3,-0.2 0.829 110.1 62.9 -89.2 -35.4 -11.1 4.2 -15.7 33 35 A Y >X - 0 0 17 -4,-2.2 4,-2.3 -5,-0.3 3,-0.7 -0.840 54.2-164.2-108.5 115.3 -11.5 0.9 -17.4 34 36 A D H 3> S+ 0 0 61 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.825 89.9 64.2 -60.8 -34.6 -8.6 -1.2 -18.6 35 37 A V H 34>S+ 0 0 1 53,-0.3 5,-2.3 1,-0.2 -1,-0.2 0.880 111.8 38.4 -60.3 -32.8 -10.7 -3.4 -20.9 36 38 A F H X45S+ 0 0 2 -3,-0.7 3,-1.2 -7,-0.3 -2,-0.2 0.923 114.6 51.6 -78.4 -45.5 -11.5 -0.2 -22.9 37 39 A K H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 -8,-0.3 -3,-0.2 0.858 119.3 37.7 -61.5 -33.8 -8.0 1.4 -22.7 38 40 A R T 3<5S- 0 0 132 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.324 106.8-125.0-102.0 7.7 -6.4 -1.8 -23.9 39 41 A F T < 5 + 0 0 12 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.937 43.9 171.4 49.7 58.6 -9.2 -2.8 -26.5 40 42 A K < - 0 0 44 -5,-2.3 -1,-0.2 -6,-0.2 39,-0.1 -0.716 48.4 -86.7 -90.8 150.8 -9.9 -6.3 -25.2 41 43 A P - 0 0 12 0, 0.0 45,-2.5 0, 0.0 2,-0.3 -0.392 53.8-128.0 -53.8 128.6 -12.9 -8.1 -26.6 42 44 A L B -a 86 0A 1 43,-0.3 45,-0.2 1,-0.1 3,-0.1 -0.626 16.4-112.0 -90.6 139.7 -15.8 -7.0 -24.4 43 45 A A > - 0 0 3 43,-2.3 3,-1.3 -2,-0.3 51,-0.1 -0.267 43.0 -86.9 -60.9 149.6 -18.3 -9.4 -22.7 44 46 A L T 3 S+ 0 0 117 49,-0.3 -1,-0.1 1,-0.2 41,-0.0 -0.291 115.4 24.8 -44.9 134.9 -21.9 -9.7 -23.8 45 47 A G T 3> S+ 0 0 23 -3,-0.1 4,-1.7 3,-0.1 -1,-0.2 0.608 73.2 136.0 80.5 13.7 -24.0 -7.1 -22.0 46 48 A I H <> + 0 0 8 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.874 68.6 63.9 -61.3 -34.4 -21.2 -4.6 -21.4 47 49 A D H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 104.5 44.4 -52.0 -52.2 -23.6 -1.8 -22.5 48 50 A Q H > S+ 0 0 116 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.861 111.8 53.5 -63.4 -36.2 -25.9 -2.6 -19.5 49 51 A D H X S+ 0 0 57 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.908 110.1 47.1 -64.8 -41.0 -22.9 -2.8 -17.1 50 52 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.922 112.0 50.6 -63.9 -44.5 -21.7 0.7 -18.3 51 53 A I H < S+ 0 0 50 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.934 112.8 45.6 -60.7 -47.3 -25.2 2.1 -17.9 52 54 A A H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.8 46.6 -62.3 -39.2 -25.6 0.8 -14.4 53 55 A A H < S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.684 113.8 49.1 -79.6 -18.7 -22.1 1.9 -13.4 54 56 A L >< + 0 0 1 -4,-1.7 3,-1.2 -3,-0.3 -1,-0.2 -0.595 55.6 152.6-121.8 70.6 -22.5 5.4 -14.9 55 57 A P T 3 + 0 0 50 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.722 68.1 72.8 -73.1 -15.3 -25.8 6.9 -13.7 56 58 A Q T 3 S+ 0 0 19 -3,-0.2 2,-0.3 2,-0.1 -41,-0.1 0.392 96.9 60.2 -75.5 4.9 -24.4 10.4 -14.0 57 59 A Y S < S- 0 0 30 -3,-1.2 2,-0.3 -6,-0.2 -3,-0.1 -0.955 94.5 -96.1-137.1 150.5 -24.6 10.1 -17.8 58 60 A D >> - 0 0 46 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.493 25.9-136.9 -71.0 127.0 -27.4 9.5 -20.4 59 61 A A H 3> S+ 0 0 47 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.811 103.0 56.6 -50.2 -35.0 -27.8 5.8 -21.4 60 62 A A H 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 107.1 45.3 -70.7 -37.7 -28.2 6.9 -25.0 61 63 A L H <> S+ 0 0 10 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.798 110.4 56.4 -77.8 -25.3 -24.9 8.7 -25.2 62 64 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.934 106.5 49.0 -64.0 -46.3 -23.2 5.8 -23.4 63 65 A A H X S+ 0 0 50 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.884 110.3 52.8 -60.5 -38.3 -24.5 3.4 -26.1 64 66 A R H X S+ 0 0 127 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.920 110.2 45.9 -63.7 -47.2 -23.1 5.9 -28.7 65 67 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.945 113.4 50.4 -62.4 -46.3 -19.6 5.9 -27.2 66 68 A L H X S+ 0 0 22 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.907 110.7 48.9 -55.7 -43.4 -19.7 2.2 -26.9 67 69 A A H X S+ 0 0 39 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.879 109.6 52.1 -70.3 -37.3 -20.7 1.8 -30.6 68 70 A N H >X S+ 0 0 75 -4,-2.5 4,-0.7 2,-0.2 3,-0.6 0.888 109.6 51.2 -56.0 -42.3 -18.0 4.2 -31.6 69 71 A H H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 6,-0.3 0.937 108.1 49.5 -67.1 -44.8 -15.5 2.1 -29.7 70 72 A C H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.594 105.9 58.9 -72.5 -8.5 -16.6 -1.2 -31.3 71 73 A R H << S+ 0 0 112 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.633 80.9 108.3 -91.0 -18.8 -16.3 0.3 -34.8 72 74 A R S XX S- 0 0 111 -3,-1.0 4,-2.1 -4,-0.7 3,-0.7 -0.333 76.6-127.4 -63.9 138.7 -12.6 1.2 -34.4 73 75 A P H 3> S+ 0 0 52 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.873 110.0 60.9 -48.4 -42.6 -10.2 -0.9 -36.4 74 76 A R H 3> S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.876 106.1 46.1 -59.9 -36.2 -8.2 -1.5 -33.2 75 77 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.3 -6,-0.3 -1,-0.2 0.945 112.7 48.3 -69.5 -48.3 -11.3 -3.2 -31.7 76 78 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.902 109.7 54.1 -56.6 -40.1 -12.0 -5.3 -34.9 77 79 A K H X S+ 0 0 41 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.876 106.7 51.9 -63.3 -33.8 -8.3 -6.2 -34.8 78 80 A A H X S+ 0 0 14 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.881 108.4 50.4 -68.9 -38.9 -8.8 -7.4 -31.2 79 81 A L H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 108.2 52.9 -67.7 -35.3 -11.8 -9.5 -32.3 80 82 A A H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 104.6 55.8 -65.8 -31.3 -9.6 -11.0 -35.1 81 83 A R H < S- 0 0 218 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.906 96.8-176.6 -68.3 -38.7 -7.0 -11.9 -32.4 82 84 A G < + 0 0 10 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.1 -0.396 28.5 113.4 83.7-155.2 -9.8 -13.8 -30.7 83 85 A G S S- 0 0 50 13,-0.4 13,-2.6 -2,-0.1 -1,-0.1 -0.462 71.0 -0.6 79.5-154.2 -9.7 -15.6 -27.3 84 86 A K E - B 0 95A 92 11,-0.2 11,-0.3 -2,-0.1 2,-0.3 -0.186 58.7-132.2 -74.4 154.3 -11.6 -14.6 -24.2 85 87 A R E - 0 0 16 9,-1.9 8,-3.0 -45,-0.1 2,-0.4 -0.748 22.9-141.8 -97.6 157.4 -14.0 -11.7 -23.6 86 88 A F E -aB 42 92A 29 -45,-2.5 -43,-2.3 -2,-0.3 6,-0.2 -0.928 2.2-142.4-126.2 140.4 -13.6 -9.4 -20.6 87 89 A D > - 0 0 29 4,-2.2 3,-2.0 -2,-0.4 -52,-0.1 -0.236 47.9 -81.2 -88.6-177.4 -16.1 -7.7 -18.2 88 90 A L T 3 S+ 0 0 24 1,-0.3 -53,-0.3 2,-0.1 -54,-0.2 0.730 130.1 56.7 -57.3 -21.7 -15.8 -4.3 -16.6 89 91 A N T 3 S- 0 0 129 2,-0.1 -1,-0.3 -56,-0.1 3,-0.1 0.143 117.6-109.5 -98.3 18.5 -13.6 -5.8 -13.9 90 92 A N S < S+ 0 0 53 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.829 75.6 134.8 57.6 34.8 -11.0 -7.2 -16.4 91 93 A R - 0 0 181 -4,-0.1 -4,-2.2 1,-0.1 -1,-0.2 -0.875 65.3 -91.0-112.5 148.9 -12.2 -10.8 -15.7 92 94 A F E +B 86 0A 136 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.1 -0.253 49.6 163.1 -49.0 133.1 -12.9 -13.5 -18.2 93 95 A K E - 0 0 101 -8,-3.0 -49,-0.3 1,-0.5 2,-0.1 -0.577 57.5 -39.9-157.3 94.8 -16.5 -13.6 -19.3 94 96 A G E - 0 0 37 -2,-0.1 -9,-1.9 -51,-0.1 -1,-0.5 -0.361 69.9-109.6 83.9-167.1 -17.4 -15.5 -22.5 95 97 A E E -B 84 0A 107 -11,-0.3 2,-0.6 -2,-0.1 -11,-0.2 -0.933 24.5 -87.1-152.3 173.6 -15.2 -15.6 -25.6 96 98 A V - 0 0 11 -13,-2.6 -13,-0.4 -2,-0.3 -2,-0.0 -0.833 49.9-134.9 -86.4 122.8 -14.9 -14.6 -29.3 97 99 A T > - 0 0 20 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.358 20.2-109.2 -73.5 159.3 -16.7 -17.2 -31.4 98 100 A P H > S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.902 119.7 52.0 -54.9 -38.7 -15.1 -18.6 -34.5 99 101 A E H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 110.2 45.4 -66.1 -45.9 -17.7 -16.8 -36.6 100 102 A E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 114.5 51.3 -61.5 -40.4 -17.1 -13.4 -35.0 101 103 A Q H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.924 108.9 48.8 -64.4 -44.6 -13.4 -14.0 -35.4 102 104 A A H X S+ 0 0 35 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.864 110.4 51.5 -63.6 -37.8 -13.6 -14.9 -39.1 103 105 A I H < S+ 0 0 17 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.900 112.4 45.0 -68.6 -39.9 -15.7 -11.9 -39.9 104 106 A A H >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 6,-0.3 0.918 110.1 56.6 -69.1 -40.0 -13.3 -9.5 -38.2 105 107 A Q H 3< S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.2 42.0 -58.6 -34.1 -10.3 -11.2 -39.8 106 108 A N T 3< S+ 0 0 58 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.405 86.8 121.1 -96.5 -0.8 -11.7 -10.6 -43.3 107 109 A H X> - 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