==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 10-MAY-93 2MGA . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR M.L.QUILLIN,R.M.ARDUINI,G.N.PHILLIPS JR. . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 83.8 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 . 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 1 0 1 0 0 0 0 0 0 1 1 1 0 0 2 0 0 0 0 0 0 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 0 A M 0 0 86 0, 0.0 2,-0.3 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 163.3 24.4 9.6 -10.0 2 1 A V - 0 0 122 0, 0.0 2,-0.2 0, 0.0 79,-0.1 -0.911 360.0-143.3-152.6 125.2 27.1 11.9 -11.4 3 2 A L - 0 0 12 -2,-0.3 2,-0.1 1,-0.1 128,-0.0 -0.513 24.9-127.2 -78.2 151.4 28.7 15.2 -10.3 4 3 A S > - 0 0 64 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.342 31.2-104.6 -87.4 169.0 29.7 17.7 -13.0 5 4 A E H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.776 122.3 61.2 -65.6 -29.0 33.3 18.9 -12.9 6 5 A G H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 104.7 47.3 -66.0 -32.9 32.0 22.2 -11.4 7 6 A E H > S+ 0 0 50 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.922 110.6 51.4 -75.2 -41.5 30.6 20.4 -8.4 8 7 A W H X S+ 0 0 15 -4,-1.8 4,-3.7 1,-0.2 5,-0.2 0.904 107.5 54.7 -59.4 -47.1 33.9 18.5 -8.0 9 8 A Q H X S+ 0 0 127 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.925 108.2 47.4 -52.7 -50.5 35.7 21.9 -8.1 10 9 A L H X S+ 0 0 66 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.921 114.7 47.4 -57.8 -44.9 33.5 23.2 -5.2 11 10 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.967 114.2 45.4 -62.1 -54.2 34.1 20.0 -3.2 12 11 A L H X S+ 0 0 48 -4,-3.7 4,-1.1 1,-0.2 -2,-0.2 0.780 108.3 58.0 -65.6 -25.4 37.9 20.0 -3.8 13 12 A H H >X S+ 0 0 101 -4,-2.3 4,-1.0 -5,-0.2 3,-0.6 0.943 110.9 41.0 -70.2 -48.1 38.2 23.7 -3.0 14 13 A V H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.3 3,-0.7 0.904 111.9 57.5 -67.7 -44.5 36.7 23.4 0.5 15 14 A W H 3X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.745 97.7 61.1 -50.4 -36.3 38.7 20.2 1.0 16 15 A A H << S+ 0 0 55 -4,-1.1 4,-0.5 -3,-0.6 -1,-0.2 0.844 106.9 46.6 -62.8 -35.1 41.9 22.1 0.3 17 16 A K H X< S+ 0 0 81 -4,-1.0 3,-1.2 -3,-0.7 4,-0.4 0.872 107.4 54.5 -71.3 -47.1 41.1 24.2 3.3 18 17 A V H >< S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.2 7,-0.3 0.879 103.3 59.4 -49.3 -43.4 40.2 21.3 5.5 19 18 A E G >< S+ 0 0 90 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.714 84.0 76.6 -62.7 -15.0 43.7 19.9 4.6 20 19 A A G < S+ 0 0 89 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.767 119.8 11.0 -63.0 -23.1 45.4 23.0 6.1 21 20 A D G <> S+ 0 0 72 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.3 -0.607 70.9 166.9-155.3 78.7 44.6 21.2 9.5 22 21 A V H <> S+ 0 0 39 -3,-0.6 4,-3.2 2,-0.2 5,-0.1 0.949 77.3 54.1 -61.0 -49.8 43.4 17.6 9.2 23 22 A A H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.944 110.3 45.5 -52.1 -55.5 43.7 16.8 12.9 24 23 A G H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.819 114.9 45.3 -61.8 -42.8 41.6 19.7 14.1 25 24 A H H X S+ 0 0 3 -4,-1.8 4,-2.3 -7,-0.3 -1,-0.2 0.909 111.0 57.5 -64.3 -40.1 38.8 19.1 11.5 26 25 A G H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.928 109.1 44.5 -50.8 -54.7 39.1 15.4 12.4 27 26 A Q H X S+ 0 0 38 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.886 111.3 51.5 -57.0 -49.9 38.4 16.2 16.1 28 27 A D H X S+ 0 0 61 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.889 112.3 48.1 -56.1 -42.8 35.5 18.7 15.4 29 28 A I H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.969 113.9 41.6 -61.6 -60.2 33.8 16.2 13.2 30 29 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.3 5,-0.3 0.881 115.7 51.3 -58.8 -37.7 34.0 13.1 15.5 31 30 A I H X S+ 0 0 7 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.3 0.912 110.3 50.3 -66.5 -36.2 33.1 15.2 18.5 32 31 A R H X S+ 0 0 92 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.958 111.1 47.8 -64.0 -50.1 30.1 16.5 16.5 33 32 A L H X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 7,-0.2 0.939 113.5 47.6 -48.7 -60.5 29.0 13.0 15.6 34 33 A F H < S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 114.2 46.2 -57.0 -35.2 29.3 11.8 19.2 35 34 A K H < S+ 0 0 108 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.954 119.2 38.9 -77.6 -43.3 27.5 14.7 20.7 36 35 A S H < S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.715 132.2 26.4 -71.9 -35.1 24.6 14.7 18.2 37 36 A H >X + 0 0 26 -4,-2.7 3,-2.7 -5,-0.3 4,-0.5 -0.609 68.2 178.8-132.5 70.1 24.3 11.0 18.0 38 37 A P H >> S+ 0 0 79 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.749 75.8 68.1 -45.9 -32.2 25.6 9.5 21.3 39 38 A E H 34 S+ 0 0 71 1,-0.2 4,-0.3 2,-0.2 3,-0.1 0.651 86.6 66.4 -63.3 -25.1 24.9 6.0 20.2 40 39 A T H X4 S+ 0 0 2 -3,-2.7 3,-1.7 -7,-0.2 4,-0.4 0.856 90.8 65.4 -68.1 -32.8 27.6 6.0 17.5 41 40 A L H X< S+ 0 0 20 -3,-0.9 3,-2.0 -4,-0.5 6,-0.3 0.867 89.3 66.0 -57.9 -32.3 30.2 6.3 20.3 42 41 A E T 3< S+ 0 0 130 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.735 91.0 63.5 -61.9 -28.1 29.2 2.8 21.4 43 42 A K T < S+ 0 0 83 -3,-1.7 2,-1.1 -4,-0.3 -1,-0.3 0.687 90.1 77.6 -66.7 -23.2 30.6 1.4 18.2 44 43 A F X> - 0 0 69 -3,-2.0 3,-3.3 -4,-0.4 4,-1.9 -0.686 58.3-176.0 -97.3 90.8 34.0 2.7 19.2 45 44 A D T 34 S+ 0 0 127 -2,-1.1 4,-0.3 1,-0.3 -1,-0.2 0.777 89.0 52.8 -50.3 -30.3 35.4 0.2 21.8 46 45 A R T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.598 120.7 30.4 -88.4 -3.7 38.4 2.6 22.1 47 46 A F T X4 S+ 0 0 5 -3,-3.3 3,-2.0 -6,-0.3 -2,-0.2 0.511 84.2 96.9-127.4 -21.4 36.1 5.6 22.8 48 47 A K T 3< S+ 0 0 98 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.770 82.3 61.8 -40.0 -34.1 32.9 4.5 24.6 49 48 A H T 3 S+ 0 0 127 -4,-0.3 2,-0.6 -8,-0.1 -1,-0.3 0.464 74.6 107.5 -79.9 -2.0 34.4 5.4 28.0 50 49 A L < - 0 0 15 -3,-2.0 3,-0.1 1,-0.2 -3,-0.0 -0.760 46.7-177.9 -79.2 120.3 34.8 9.1 27.1 51 50 A K + 0 0 175 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.742 55.7 26.6 -87.2 -37.2 32.1 10.9 29.2 52 51 A T S > S- 0 0 70 1,-0.1 4,-2.6 0, 0.0 3,-0.5 -0.916 77.1-109.8-129.5 163.2 32.3 14.5 28.2 53 52 A E H > S+ 0 0 69 -2,-0.3 4,-3.8 1,-0.2 5,-0.1 0.807 116.5 61.0 -58.6 -35.6 33.4 16.7 25.4 54 53 A A H > S+ 0 0 71 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.922 107.9 44.4 -61.2 -41.6 36.4 17.9 27.4 55 54 A E H >> S+ 0 0 80 -3,-0.5 4,-1.5 2,-0.2 3,-0.8 0.910 111.4 52.3 -66.7 -46.5 37.6 14.3 27.5 56 55 A M H >< S+ 0 0 12 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.976 108.8 53.1 -53.3 -49.9 36.8 13.8 23.9 57 56 A K H 3< S+ 0 0 113 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.706 112.1 43.3 -58.3 -29.5 38.9 16.9 23.3 58 57 A A H << S+ 0 0 81 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.3 0.593 85.5 109.8 -96.5 -14.2 41.9 15.6 25.2 59 58 A S S+ 0 0 104 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.777 88.9 58.2 -79.2 -24.3 44.9 11.5 21.5 61 60 A D H > S+ 0 0 52 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.746 105.9 50.1 -74.2 -32.1 43.3 8.3 20.1 62 61 A L H > S+ 0 0 0 -6,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.893 108.6 50.7 -71.6 -43.4 40.3 10.3 19.0 63 62 A K H X S+ 0 0 51 -4,-1.4 4,-1.5 1,-0.2 3,-0.3 0.926 113.4 46.3 -58.2 -44.4 42.4 12.9 17.3 64 63 A K H X S+ 0 0 110 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.825 109.4 55.7 -63.5 -39.2 44.2 10.0 15.5 65 64 A G H X S+ 0 0 21 -4,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.863 107.4 49.1 -57.7 -46.5 40.9 8.5 14.7 66 65 A G H X S+ 0 0 1 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.808 107.8 52.2 -65.7 -40.2 39.7 11.7 13.0 67 66 A V H X S+ 0 0 46 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.847 109.7 51.2 -62.5 -42.9 42.9 12.0 10.8 68 67 A T H X S+ 0 0 99 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.905 113.0 44.6 -59.8 -49.2 42.4 8.4 9.6 69 68 A V H X S+ 0 0 49 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.937 116.8 45.0 -58.2 -50.8 38.7 9.1 8.7 70 69 A L H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.886 114.0 49.1 -64.6 -47.7 39.5 12.4 7.0 71 70 A T H X S+ 0 0 83 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.861 113.3 47.1 -58.1 -41.5 42.5 11.0 5.1 72 71 A A H X S+ 0 0 47 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.917 116.8 44.0 -62.6 -47.5 40.5 8.0 3.9 73 72 A L H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.894 111.4 52.8 -63.9 -50.0 37.6 10.2 2.8 74 73 A G H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.909 106.6 53.4 -50.4 -45.1 39.9 12.8 1.2 75 74 A A H < S+ 0 0 50 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.919 110.5 48.7 -63.8 -31.8 41.5 10.0 -0.8 76 75 A I H ><>S+ 0 0 8 -4,-1.8 3,-1.0 1,-0.2 5,-0.6 0.880 110.8 47.9 -71.7 -43.4 38.0 9.0 -2.0 77 76 A L H ><5S+ 0 0 3 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.885 103.0 59.8 -67.9 -41.5 36.9 12.5 -3.0 78 77 A K T 3<5S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.621 95.3 67.4 -59.4 -17.6 40.0 13.4 -4.9 79 78 A K T X 5S- 0 0 74 -3,-1.0 3,-1.7 -4,-0.4 -1,-0.3 0.512 96.4-145.3 -74.4 -21.5 39.1 10.3 -7.1 80 79 A K T < 5S- 0 0 64 -3,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.763 72.2 -35.1 56.8 40.0 36.0 12.3 -8.3 81 80 A G T 3 + 0 0 5 -2,-1.4 4,-1.4 1,-0.1 3,-0.4 0.145 18.7 120.2-120.8 19.8 36.6 5.2 -6.3 84 83 A E H >> S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.916 80.0 46.1 -42.6 -60.1 35.7 1.6 -6.7 85 84 A A H 34 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.806 112.1 49.4 -52.4 -47.7 39.1 0.3 -5.4 86 85 A E H 3> S+ 0 0 62 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.685 109.8 53.1 -67.9 -33.6 39.2 2.6 -2.4 87 86 A L H S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.820 117.7 54.7 -58.6 -36.2 38.3 -2.5 1.7 90 89 A L H X S+ 0 0 37 -4,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.885 110.1 44.0 -67.1 -42.5 36.4 0.3 3.4 91 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.4 0.891 110.8 56.4 -68.3 -36.8 33.0 -1.3 2.9 92 91 A Q H X>S+ 0 0 115 -4,-2.4 4,-2.2 -5,-0.3 5,-0.8 0.934 111.1 41.0 -65.1 -50.0 34.3 -4.7 4.0 93 92 A S H X>S+ 0 0 34 -4,-2.2 5,-2.9 1,-0.2 4,-1.6 0.956 117.6 48.0 -67.6 -37.9 35.6 -3.5 7.4 94 93 A H H <5S+ 0 0 49 -4,-1.8 6,-3.0 -5,-0.2 5,-0.3 0.845 120.4 35.9 -68.6 -35.7 32.6 -1.3 8.1 95 94 A A H <5S+ 0 0 4 -4,-2.6 -1,-0.2 4,-0.2 -2,-0.2 0.832 133.4 23.4 -84.6 -38.8 30.0 -3.9 7.2 96 95 A T H <5S+ 0 0 78 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.830 133.2 28.9-101.4 -29.8 31.8 -7.1 8.5 97 96 A K T <> - 0 0 29 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.308 24.7-113.0 -67.6 148.9 24.6 0.8 9.5 102 101 A I H >> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 3,-1.2 0.843 116.0 67.7 -48.3 -40.1 24.2 3.2 6.5 103 102 A K H 3> S+ 0 0 113 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.806 96.0 51.9 -51.7 -39.5 22.3 5.5 8.9 104 103 A Y H <> S+ 0 0 50 -3,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.753 105.5 56.6 -71.1 -26.4 25.5 6.1 10.9 105 104 A L H < + 0 0 29 -4,-2.9 3,-1.0 -5,-0.2 4,-0.4 -0.466 60.0 153.3-127.3 60.9 34.6 27.8 6.1 121 120 A P G > S+ 0 0 92 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.857 78.5 51.5 -52.8 -38.9 31.7 30.1 5.6 122 121 A G G 3 S+ 0 0 75 1,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.679 117.4 37.2 -74.4 -18.9 33.4 31.9 2.7 123 122 A N G < S+ 0 0 51 -3,-1.0 -1,-0.2 -7,-0.2 -109,-0.1 0.136 112.9 61.2-116.7 11.0 34.1 28.6 0.9 124 123 A F < + 0 0 4 -3,-0.7 -1,-0.1 -4,-0.4 -2,-0.1 -0.277 64.7 146.3-145.5 60.6 30.9 26.9 1.8 125 124 A G S > S- 0 0 43 -3,-0.2 4,-2.5 4,-0.0 5,-0.3 -0.082 70.2 -75.1 -77.7-177.1 27.9 28.8 0.4 126 125 A A H > S+ 0 0 84 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.903 132.3 47.1 -48.6 -58.9 24.7 27.2 -0.7 127 126 A D H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.883 112.9 47.5 -53.9 -50.4 26.2 25.8 -4.0 128 127 A A H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 114.1 47.8 -61.9 -36.8 29.4 24.4 -2.4 129 128 A Q H X S+ 0 0 70 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.901 109.6 52.9 -71.2 -39.3 27.3 22.7 0.3 130 129 A G H X S+ 0 0 40 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.922 111.1 49.2 -58.8 -43.4 24.9 21.3 -2.3 131 130 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 111.2 46.3 -64.9 -39.6 28.0 19.9 -4.0 132 131 A M H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.894 111.3 53.2 -69.1 -39.7 29.5 18.3 -0.9 133 132 A N H X S+ 0 0 55 -4,-2.4 4,-3.7 2,-0.2 -1,-0.2 0.954 110.2 47.5 -58.3 -49.0 26.1 16.8 -0.0 134 133 A K H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.924 112.4 49.6 -58.7 -42.0 25.9 15.3 -3.5 135 134 A A H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.902 114.1 45.6 -66.0 -36.1 29.5 14.0 -3.1 136 135 A L H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.882 111.5 51.1 -76.6 -38.4 28.6 12.5 0.3 137 136 A E H X S+ 0 0 79 -4,-3.7 4,-2.3 -5,-0.2 -1,-0.2 0.854 109.4 50.3 -62.5 -39.2 25.4 11.0 -1.0 138 137 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.886 110.2 52.6 -63.0 -42.8 27.3 9.4 -3.9 139 138 A F H X S+ 0 0 22 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.955 113.0 42.5 -49.1 -58.1 29.7 8.0 -1.3 140 139 A R H X S+ 0 0 35 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.873 110.6 55.0 -58.9 -46.7 26.9 6.5 0.7 141 140 A K H X S+ 0 0 94 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.953 113.6 42.3 -55.0 -49.3 24.9 5.1 -2.3 142 141 A D H X S+ 0 0 31 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.853 113.2 50.2 -64.5 -44.3 28.0 3.2 -3.5 143 142 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.917 110.9 52.4 -60.1 -40.2 29.0 2.0 0.0 144 143 A A H X S+ 0 0 17 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.837 107.1 51.4 -62.6 -36.8 25.4 0.8 0.4 145 144 A A H X S+ 0 0 38 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.914 112.0 46.9 -66.0 -41.1 25.6 -1.1 -2.9 146 145 A K H X S+ 0 0 51 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.872 106.5 57.0 -67.3 -43.3 28.8 -2.8 -1.7 147 146 A Y H >X>S+ 0 0 0 -4,-2.5 5,-2.0 7,-0.3 3,-1.1 0.944 106.9 51.3 -47.0 -50.8 27.3 -3.6 1.8 148 147 A K H ><5S+ 0 0 146 -4,-1.8 3,-0.9 6,-0.6 -1,-0.2 0.891 108.7 49.7 -57.9 -45.6 24.6 -5.5 -0.1 149 148 A E H 3<5S+ 0 0 150 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.759 109.5 51.8 -67.0 -30.8 27.1 -7.5 -2.1 150 149 A L H <<5S- 0 0 87 -4,-1.5 -1,-0.2 -3,-1.1 -2,-0.2 0.547 124.7-100.1 -85.9 -10.4 29.0 -8.4 1.1 151 150 A G T <<5S+ 0 0 73 -4,-1.1 2,-0.4 -3,-0.9 -3,-0.2 0.585 81.1 122.6 104.7 25.4 25.8 -9.7 2.8 152 151 A Y S