==== 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 2MGC . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR R.M.ARDUINI,M.L.QUILLIN,G.N.PHILLIPS JR. . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 81.8 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 1 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 77 0, 0.0 2,-0.4 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 168.4 24.5 9.5 -9.8 2 1 A V - 0 0 124 0, 0.0 2,-0.3 0, 0.0 79,-0.1 -0.971 360.0-149.5-139.8 127.3 27.0 11.9 -11.4 3 2 A L - 0 0 11 -2,-0.4 2,-0.1 77,-0.1 128,-0.0 -0.593 23.3-127.2 -79.5 141.8 28.6 15.1 -10.3 4 3 A S > - 0 0 64 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.355 29.4-107.3 -78.5 163.7 29.6 17.7 -13.0 5 4 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.878 120.8 58.3 -60.4 -39.4 33.2 18.9 -12.9 6 5 A G H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 107.4 48.5 -62.9 -33.7 32.1 22.4 -11.5 7 6 A E H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.938 110.1 50.4 -68.3 -50.6 30.5 20.5 -8.5 8 7 A W H X S+ 0 0 15 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.868 108.3 54.4 -53.8 -41.4 33.7 18.5 -8.0 9 8 A Q H X S+ 0 0 125 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 106.6 50.2 -61.8 -42.8 35.6 21.8 -8.1 10 9 A L H X S+ 0 0 65 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.883 113.5 47.6 -60.0 -40.3 33.4 23.2 -5.3 11 10 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.916 114.3 43.5 -64.0 -55.1 34.1 20.1 -3.3 12 11 A L H X S+ 0 0 46 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.797 107.2 61.7 -69.8 -23.4 37.8 20.0 -3.7 13 12 A H H X S+ 0 0 90 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.928 111.1 37.1 -68.5 -45.4 38.1 23.8 -3.1 14 13 A V H >X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 3,-0.8 0.890 113.0 59.0 -73.2 -33.7 36.7 23.6 0.5 15 14 A W H 3X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.890 97.9 59.9 -60.5 -37.7 38.6 20.2 1.0 16 15 A A H 3< S+ 0 0 54 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.854 105.9 48.9 -56.5 -32.1 41.9 22.0 0.3 17 16 A K H X< S+ 0 0 85 -3,-0.8 3,-1.1 -4,-0.8 4,-0.3 0.865 108.1 52.4 -73.5 -47.2 41.0 24.3 3.3 18 17 A V H >< S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.2 7,-0.3 0.881 101.7 62.8 -52.2 -45.2 40.2 21.3 5.5 19 18 A E G >< S+ 0 0 82 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.719 85.1 72.9 -63.5 -10.5 43.7 19.8 4.5 20 19 A A G < S+ 0 0 90 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.749 119.1 15.0 -75.9 -20.1 45.5 22.8 6.2 21 20 A D G <> S+ 0 0 68 -3,-2.2 4,-2.4 -4,-0.3 -1,-0.3 -0.603 70.8 163.4-148.8 74.6 44.5 21.2 9.6 22 21 A V H <> S+ 0 0 35 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.952 78.0 50.4 -64.8 -43.2 43.3 17.6 9.2 23 22 A A H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 111.3 48.2 -63.4 -38.7 43.7 16.7 12.9 24 23 A G H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 115.0 45.1 -67.8 -39.9 41.7 19.7 14.1 25 24 A H H X S+ 0 0 2 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.910 111.7 51.8 -70.9 -37.2 38.9 19.0 11.5 26 25 A G H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.924 111.4 49.7 -62.0 -41.2 38.8 15.2 12.3 27 26 A Q H X S+ 0 0 37 -4,-2.2 4,-2.1 -5,-0.3 5,-0.3 0.970 111.4 47.3 -61.3 -51.4 38.5 16.1 16.0 28 27 A D H X S+ 0 0 64 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.894 113.7 48.7 -57.3 -45.9 35.6 18.6 15.4 29 28 A I H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.917 111.3 45.7 -62.8 -53.1 33.7 16.2 13.2 30 29 A L H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.919 114.8 48.3 -61.4 -42.2 33.9 13.1 15.5 31 30 A I H X S+ 0 0 6 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.938 110.3 52.1 -63.4 -44.2 32.9 15.1 18.6 32 31 A R H X S+ 0 0 78 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.975 111.6 47.3 -56.9 -52.2 30.0 16.7 16.6 33 32 A L H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 7,-0.2 0.931 113.8 47.0 -51.3 -48.7 28.8 13.2 15.6 34 33 A F H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.3 46.2 -65.9 -30.3 29.1 11.9 19.2 35 34 A K H < S+ 0 0 116 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.871 118.2 40.1 -82.6 -35.8 27.3 14.9 20.7 36 35 A S H < S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.762 132.7 22.2 -76.8 -40.4 24.5 14.9 18.2 37 36 A H >X + 0 0 29 -4,-2.6 3,-2.2 -5,-0.3 4,-0.5 -0.669 67.2 177.3-134.9 71.7 24.0 11.1 18.0 38 37 A P G >4 S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.805 74.1 72.6 -49.6 -33.2 25.4 9.6 21.1 39 38 A E G >4 S+ 0 0 84 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.877 87.4 66.1 -56.6 -25.1 24.3 6.1 20.1 40 39 A T G X4 S+ 0 0 5 -3,-2.2 3,-1.8 1,-0.3 4,-0.3 0.880 88.5 64.2 -65.3 -35.4 27.1 6.2 17.5 41 40 A L G X< S+ 0 0 16 -3,-1.2 3,-1.5 -4,-0.5 -1,-0.3 0.785 88.0 71.7 -58.2 -28.7 29.8 6.3 20.2 42 41 A E G < S+ 0 0 118 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.677 87.9 63.3 -62.6 -23.5 28.6 2.8 21.3 43 42 A K G < S+ 0 0 83 -3,-1.8 2,-1.0 -4,-0.4 -1,-0.3 0.662 87.9 77.6 -74.7 -21.6 30.2 1.3 18.1 44 43 A F X> - 0 0 56 -3,-1.5 4,-1.8 -4,-0.3 3,-1.3 -0.759 57.2-174.1 -93.1 101.3 33.7 2.4 19.2 45 44 A D T 34 S+ 0 0 120 -2,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.868 86.0 52.9 -60.8 -35.1 35.0 -0.1 21.8 46 45 A R T 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 15,-0.1 0.562 121.5 28.6 -72.9 -21.6 38.2 2.0 22.3 47 46 A F T X4 S+ 0 0 6 -3,-1.3 3,-2.0 -6,-0.2 -1,-0.2 0.393 84.9 107.3-123.3 -2.2 36.3 5.3 22.9 48 47 A K T 3< S+ 0 0 90 -4,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.685 77.1 57.8 -42.4 -36.0 33.0 4.0 24.4 49 48 A H T 3 S+ 0 0 120 -4,-0.2 -1,-0.3 -8,-0.0 2,-0.2 0.578 72.3 116.8 -81.2 -10.7 34.0 5.2 27.9 50 49 A L < - 0 0 19 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.465 39.8-177.8 -65.4 120.4 34.5 8.9 27.1 51 50 A K + 0 0 178 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.747 54.3 29.5 -94.8 -32.4 31.9 10.8 29.1 52 51 A T S > S- 0 0 69 1,-0.1 4,-2.1 0, 0.0 3,-0.2 -0.900 76.0-110.6-128.3 170.1 32.4 14.5 28.2 53 52 A E H > S+ 0 0 71 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.869 117.1 58.3 -62.5 -35.3 33.4 16.7 25.3 54 53 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 105.8 47.3 -64.2 -39.0 36.5 17.6 27.3 55 54 A E H > S+ 0 0 86 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.901 110.9 52.6 -69.5 -31.6 37.6 14.0 27.6 56 55 A M H >< S+ 0 0 11 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.926 109.7 48.5 -67.2 -45.6 37.0 13.6 23.8 57 56 A K H 3< S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.842 111.6 50.6 -60.7 -38.3 39.2 16.7 23.0 58 57 A A H 3< S+ 0 0 82 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.554 84.5 108.4 -78.2 -9.2 41.9 15.4 25.3 59 58 A S S+ 0 0 105 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.849 88.4 51.5 -72.6 -36.0 45.1 11.4 21.6 61 60 A D H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.835 106.3 53.8 -70.5 -35.1 43.8 8.2 20.1 62 61 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 108.9 50.4 -68.0 -41.2 40.5 9.9 19.0 63 62 A K H X S+ 0 0 52 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.879 109.0 50.8 -59.4 -41.7 42.5 12.6 17.3 64 63 A K H X S+ 0 0 86 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.896 110.7 49.9 -65.8 -39.7 44.6 10.0 15.4 65 64 A L H X S+ 0 0 34 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.878 105.8 55.1 -61.5 -46.4 41.4 8.3 14.3 66 65 A G H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.859 108.8 49.0 -54.3 -38.8 40.0 11.6 13.1 67 66 A V H X S+ 0 0 50 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.827 111.0 50.2 -67.0 -47.1 43.1 11.9 10.9 68 67 A T H X S+ 0 0 91 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.912 112.6 45.9 -58.2 -50.4 42.7 8.4 9.6 69 68 A V H X S+ 0 0 53 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.934 114.8 45.9 -60.2 -50.7 39.0 8.9 8.6 70 69 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.861 111.3 52.9 -64.5 -38.2 39.5 12.3 6.9 71 70 A T H X S+ 0 0 85 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.886 111.2 45.9 -60.6 -44.2 42.5 11.0 5.0 72 71 A A H X S+ 0 0 45 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.888 115.2 47.2 -65.1 -42.5 40.5 8.0 3.7 73 72 A L H X S+ 0 0 17 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.875 110.1 52.9 -61.0 -47.5 37.6 10.3 2.8 74 73 A G H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.894 106.6 53.2 -55.1 -48.0 39.9 12.8 1.1 75 74 A A H X S+ 0 0 46 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.913 110.7 47.6 -58.2 -38.9 41.4 10.0 -1.0 76 75 A I H ><>S+ 0 0 7 -4,-1.7 3,-1.3 1,-0.2 5,-0.6 0.929 111.3 49.0 -67.2 -50.0 37.9 9.1 -2.1 77 76 A L H ><5S+ 0 0 4 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.905 104.7 59.6 -59.4 -36.8 36.8 12.6 -2.9 78 77 A K H 3<5S+ 0 0 108 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.668 94.7 64.1 -64.5 -21.5 39.9 13.2 -5.0 79 78 A K T X<5S- 0 0 79 -3,-1.3 3,-2.1 -4,-0.6 -1,-0.3 0.481 97.9-142.7 -77.9 -9.4 39.0 10.3 -7.3 80 79 A K T < 5S- 0 0 70 -3,-2.4 -3,-0.1 1,-0.3 -2,-0.1 0.841 74.5 -32.9 46.2 49.1 35.9 12.4 -8.3 81 80 A G T 3 + 0 0 7 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.167 17.2 119.8-122.4 19.6 36.5 5.3 -6.2 84 83 A E H > S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.886 79.6 47.3 -52.5 -43.5 35.7 1.7 -6.6 85 84 A A H 4 S+ 0 0 69 1,-0.2 3,-0.3 -3,-0.2 -1,-0.2 0.900 113.9 47.4 -71.0 -39.6 39.2 0.5 -5.4 86 85 A E H > S+ 0 0 59 1,-0.2 4,-0.9 -4,-0.1 -1,-0.2 0.749 108.9 55.0 -67.8 -35.2 39.2 2.7 -2.4 87 86 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.1 5,-0.2 0.785 92.9 71.9 -70.1 -28.2 35.6 1.8 -1.4 88 87 A K H X S+ 0 0 96 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.1 0.926 102.2 36.8 -58.1 -55.0 36.2 -2.0 -1.2 89 88 A P H > S+ 0 0 81 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 118.0 52.5 -65.6 -41.6 38.3 -2.3 1.9 90 89 A L H X S+ 0 0 40 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.918 111.8 45.1 -57.2 -48.6 36.3 0.5 3.6 91 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.939 111.0 54.3 -67.6 -38.5 33.0 -1.3 2.9 92 91 A Q H X>S+ 0 0 117 -4,-2.4 4,-2.7 -5,-0.2 5,-0.6 0.934 114.1 39.7 -62.5 -48.0 34.3 -4.7 4.0 93 92 A S H X>S+ 0 0 40 -4,-2.6 5,-2.8 1,-0.2 4,-1.2 0.913 117.6 47.7 -71.4 -40.4 35.5 -3.4 7.4 94 93 A H H <>S+ 0 0 48 -4,-2.4 6,-2.6 -5,-0.2 5,-0.8 0.834 118.9 40.5 -69.1 -32.1 32.6 -1.2 8.1 95 94 A A H <5S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 130.4 20.8 -77.4 -49.3 30.1 -3.9 7.1 96 95 A T H <5S+ 0 0 79 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.801 132.7 29.2-102.8 -24.9 31.6 -7.0 8.7 97 96 A K T <> - 0 0 22 0, 0.0 3,-1.6 0, 0.0 4,-1.2 -0.242 22.0-115.6 -66.4 152.6 24.5 1.1 9.4 102 101 A I H 3> S+ 0 0 28 52,-2.5 4,-2.1 1,-0.3 3,-0.4 0.826 115.9 66.4 -54.4 -40.8 23.9 3.4 6.5 103 102 A K H 3> S+ 0 0 117 51,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.848 99.9 50.6 -49.9 -43.6 21.9 5.6 8.9 104 103 A Y H <> S+ 0 0 51 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.776 106.1 54.3 -67.4 -28.9 25.2 6.2 10.8 105 104 A L H X S+ 0 0 19 -4,-1.2 4,-1.4 -3,-0.4 -2,-0.2 0.831 107.1 52.5 -71.2 -33.8 27.0 7.2 7.6 106 105 A E H X S+ 0 0 84 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.925 107.4 52.4 -63.3 -42.5 24.2 9.7 7.1 107 106 A F H X S+ 0 0 15 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.898 110.2 46.1 -59.8 -45.6 24.9 11.1 10.7 108 107 A I H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.819 108.7 56.3 -70.4 -26.4 28.6 11.6 10.0 109 108 A S H X S+ 0 0 3 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.891 107.7 49.4 -65.4 -40.4 27.8 13.3 6.6 110 109 A E H X S+ 0 0 90 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.833 110.9 49.5 -65.7 -41.1 25.6 15.8 8.6 111 110 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.882 109.3 51.8 -67.0 -36.7 28.5 16.4 11.0 112 111 A I H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.958 112.1 46.3 -61.4 -47.2 31.0 17.0 8.1 113 112 A I H X S+ 0 0 23 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.930 110.6 53.1 -62.2 -44.1 28.6 19.5 6.6 114 113 A H H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.914 111.5 45.4 -57.7 -48.4 28.1 21.2 10.1 115 114 A V H X S+ 0 0 7 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.900 113.7 47.4 -67.6 -46.4 31.8 21.7 10.7 116 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.915 112.0 52.1 -59.1 -39.6 32.6 23.0 7.1 117 116 A H H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.915 114.9 41.3 -64.9 -40.3 29.7 25.4 7.4 118 117 A S H < S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.890 124.7 35.1 -70.7 -41.3 31.0 26.7 10.8 119 118 A R H < S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.748 125.8 32.7 -86.8 -23.3 34.7 26.8 9.8 120 119 A H >< + 0 0 29 -4,-3.2 3,-1.8 -5,-0.2 4,-0.2 -0.312 61.2 151.2-135.6 57.4 34.6 27.8 6.1 121 120 A P G > S+ 0 0 88 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.800 76.3 53.3 -60.4 -37.6 31.6 30.1 5.5 122 121 A G G 3 S+ 0 0 73 1,-0.3 3,-0.2 -3,-0.1 -2,-0.1 0.695 117.6 36.1 -69.0 -27.0 33.2 31.9 2.7 123 122 A N G < S+ 0 0 55 -3,-1.8 -1,-0.3 -7,-0.2 -109,-0.1 -0.002 114.8 59.2-111.6 12.2 34.0 28.7 0.8 124 123 A F < + 0 0 3 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 -0.214 65.6 143.5-141.1 54.0 30.8 26.9 1.8 125 124 A G S > S- 0 0 43 -3,-0.2 4,-2.4 4,-0.0 5,-0.2 0.012 72.5 -73.3 -74.9-172.0 27.8 28.9 0.6 126 125 A A H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 131.4 49.1 -60.5 -48.5 24.7 27.2 -0.7 127 126 A D H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 113.3 46.7 -57.9 -48.0 26.1 26.0 -4.0 128 127 A A H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 112.5 49.7 -61.6 -40.4 29.2 24.5 -2.4 129 128 A Q H X S+ 0 0 67 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.910 109.7 52.4 -63.5 -44.8 27.2 22.8 0.4 130 129 A G H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.898 111.2 47.4 -53.5 -50.3 24.9 21.3 -2.4 131 130 A A H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.905 113.1 46.9 -62.0 -42.9 27.9 20.0 -4.2 132 131 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.908 111.4 52.2 -64.9 -42.1 29.4 18.5 -0.9 133 132 A N H X S+ 0 0 53 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.917 109.7 49.2 -55.0 -50.0 26.0 17.0 -0.1 134 133 A K H X S+ 0 0 58 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 110.5 50.4 -58.7 -42.1 25.9 15.4 -3.6 135 134 A A H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.880 112.8 45.7 -64.4 -41.8 29.4 13.9 -3.2 136 135 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.792 112.1 51.4 -71.2 -34.8 28.6 12.4 0.2 137 136 A E H X S+ 0 0 79 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.895 109.3 50.0 -64.5 -41.9 25.3 11.0 -1.1 138 137 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.917 111.3 50.7 -60.2 -48.7 27.2 9.4 -4.0 139 138 A F H X S+ 0 0 21 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.931 111.9 45.8 -47.5 -56.7 29.6 8.0 -1.4 140 139 A R H X S+ 0 0 36 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.887 111.8 51.7 -60.2 -42.8 26.7 6.6 0.7 141 140 A K H X S+ 0 0 90 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.965 112.8 44.8 -60.5 -48.3 24.9 5.1 -2.4 142 141 A D H X S+ 0 0 44 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.887 114.4 49.0 -63.3 -40.1 28.1 3.3 -3.6 143 142 A I H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.911 109.4 51.9 -68.4 -37.8 28.9 2.1 -0.1 144 143 A A H X S+ 0 0 33 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.901 108.1 52.1 -63.7 -38.5 25.3 0.8 0.4 145 144 A A H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.883 111.5 47.5 -64.3 -33.2 25.5 -1.1 -2.9 146 145 A K H X S+ 0 0 39 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.908 106.4 57.0 -77.5 -39.4 28.8 -2.7 -1.7 147 146 A Y H X>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.7 0.942 107.2 49.6 -54.1 -52.8 27.2 -3.5 1.7 148 147 A K H ><5S+ 0 0 117 -4,-2.1 3,-1.3 4,-0.3 -1,-0.2 0.930 110.3 48.3 -56.0 -46.1 24.5 -5.5 -0.2 149 148 A E H 3<5S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.815 111.2 52.6 -65.3 -29.1 27.0 -7.4 -2.3 150 149 A L H 3<5S- 0 0 70 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.481 122.1-107.3 -80.3 -15.7 29.0 -8.2 1.0 151 150 A G T <<5S+ 0 0 69 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.564 95.6 91.8 100.6 10.2 25.9 -9.5 2.7 152 151 A Y < - 0 0 65 -5,-2.7 -4,-0.3 -6,-0.2 -5,-0.1 0.844 46.0-178.1-108.7 -54.0 25.1 -6.7 5.1 153 152 A Q 0 0 108 -9,-0.2 -5,-0.1 1,-0.2 -9,-0.1 0.628 360.0 360.0 59.2 21.3 22.7 -4.1 3.5 154 153 A G 0 0 57 -54,-0.1 -52,-2.5 -53,-0.1 -51,-0.4 0.416 360.0 360.0 -13.5 360.0 23.0 -2.0 6.8