==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 22-FEB-89 3MBA . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: APLYSIA LIMACINA; . AUTHOR M.BOLOGNESI,S.ONESTI,G.GATTI,A.CODA,P.ASCENZI,M.BRUNORI . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 77.4 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 0 0 0 0 0 1 2 0 3 0 0 0 0 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 1 A S 0 0 58 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0-176.6 -69.4 -51.7 -22.9 2 2 A L - 0 0 3 76,-2.3 79,-0.1 1,-0.1 2,-0.1 -0.690 360.0-104.8-102.7 155.5 -66.9 -53.8 -21.0 3 3 A S > - 0 0 53 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.319 35.7-106.5 -75.3 165.2 -67.8 -55.9 -17.9 4 4 A A H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.852 123.3 52.6 -62.8 -33.8 -66.7 -54.5 -14.5 5 5 A A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 112.3 41.4 -62.5 -54.7 -64.0 -57.2 -14.5 6 6 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.910 112.4 55.4 -64.9 -42.9 -62.6 -56.3 -18.0 7 7 A A H X S+ 0 0 8 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.892 106.5 51.4 -60.1 -33.5 -62.9 -52.6 -17.3 8 8 A D H X S+ 0 0 104 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.926 107.8 52.2 -67.3 -40.0 -60.8 -53.1 -14.1 9 9 A L H X S+ 0 0 51 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.889 110.8 48.0 -62.5 -41.6 -58.1 -54.9 -16.1 10 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.903 112.3 48.1 -66.3 -41.6 -58.0 -52.1 -18.6 11 11 A G H X S+ 0 0 25 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.940 108.9 55.1 -67.3 -37.6 -57.7 -49.5 -15.9 12 12 A K H < S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.8 42.2 -62.8 -41.0 -55.0 -51.5 -14.1 13 13 A S H X S+ 0 0 3 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.804 113.8 53.8 -75.9 -28.5 -52.8 -51.6 -17.3 14 14 A W H X S+ 0 0 6 -4,-2.0 4,-3.3 -5,-0.2 3,-0.4 0.817 91.1 74.5 -75.4 -32.5 -53.5 -48.0 -18.1 15 15 A A H X S+ 0 0 58 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.914 96.1 46.8 -49.4 -54.3 -52.5 -46.6 -14.7 16 16 A P H > S+ 0 0 49 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.868 116.1 49.0 -57.9 -36.1 -48.7 -47.0 -15.2 17 17 A V H >< S+ 0 0 0 -4,-0.6 3,-1.0 -3,-0.4 7,-0.3 0.941 112.9 43.6 -66.7 -55.5 -49.2 -45.4 -18.7 18 18 A F H >< S+ 0 0 56 -4,-3.3 3,-1.0 1,-0.2 -1,-0.2 0.730 94.6 82.3 -65.3 -21.1 -51.2 -42.4 -17.5 19 19 A A H 3< S+ 0 0 72 -4,-1.7 2,-0.4 1,-0.3 -1,-0.2 0.845 104.1 33.3 -51.4 -36.4 -48.8 -41.9 -14.5 20 20 A N T S+ 0 0 44 -3,-1.0 4,-2.3 -2,-0.4 5,-0.3 0.882 70.3 48.4 -54.3 -49.4 -49.2 -38.5 -19.2 22 22 A N H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.960 119.6 36.1 -59.4 -58.0 -46.9 -35.9 -20.9 23 23 A A H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.898 123.7 41.4 -64.1 -46.3 -44.1 -38.3 -21.8 24 24 A N H X S+ 0 0 22 -4,-2.7 4,-2.0 -7,-0.3 -3,-0.2 0.839 112.5 55.0 -70.6 -36.8 -46.3 -41.4 -22.6 25 25 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.4 3,-0.3 0.949 110.5 44.4 -62.5 -51.0 -48.8 -39.4 -24.4 26 26 A L H X S+ 0 0 30 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.920 112.9 53.6 -59.9 -43.1 -46.2 -37.9 -26.8 27 27 A D H X S+ 0 0 93 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.838 104.0 55.1 -62.1 -33.6 -44.7 -41.4 -27.2 28 28 A F H X S+ 0 0 10 -4,-2.0 4,-2.0 -3,-0.3 -1,-0.2 0.906 110.1 46.5 -66.9 -42.6 -48.0 -43.0 -28.1 29 29 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.959 112.9 47.9 -64.2 -49.3 -48.5 -40.5 -30.9 30 30 A V H X S+ 0 0 16 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.900 111.0 51.7 -56.9 -45.7 -44.9 -40.9 -32.2 31 31 A A H X S+ 0 0 23 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.867 111.1 49.0 -58.2 -40.1 -45.3 -44.8 -32.1 32 32 A L H X S+ 0 0 13 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.958 111.1 47.7 -63.7 -54.3 -48.5 -44.6 -34.1 33 33 A F H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.803 111.9 52.2 -58.7 -31.6 -47.0 -42.3 -36.7 34 34 A E H < S+ 0 0 112 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.907 117.7 35.3 -72.1 -45.9 -44.0 -44.6 -37.0 35 35 A K H < S+ 0 0 141 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.724 131.6 29.5 -81.2 -23.9 -46.1 -47.7 -37.5 36 36 A F >< + 0 0 46 -4,-2.9 3,-1.8 -5,-0.2 4,-0.4 -0.625 67.0 177.0-139.7 77.2 -48.8 -46.1 -39.6 37 37 A P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.778 74.5 68.0 -52.1 -34.8 -47.4 -43.2 -41.5 38 38 A D G > S+ 0 0 75 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.761 86.3 72.4 -59.0 -23.5 -50.6 -42.4 -43.3 39 39 A S G X> S+ 0 0 7 -3,-1.8 3,-1.7 1,-0.2 4,-0.5 0.811 84.4 64.7 -63.7 -28.8 -52.1 -41.4 -40.0 40 40 A A G X4 S+ 0 0 9 -3,-1.3 3,-1.1 -4,-0.4 6,-0.4 0.822 89.2 68.1 -64.4 -30.4 -50.2 -38.2 -39.8 41 41 A N G <4 S+ 0 0 97 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.612 88.9 64.6 -64.7 -18.1 -51.8 -36.9 -42.8 42 42 A F G <4 S+ 0 0 68 -3,-1.7 2,-0.5 -4,-0.2 -1,-0.2 0.731 87.3 81.4 -77.9 -24.7 -55.1 -36.6 -40.9 43 43 A F S 4 S+ 0 0 0 -3,-0.5 3,-1.0 -6,-0.4 -1,-0.2 0.372 78.1 130.8-111.3 0.9 -48.7 -32.8 -38.9 47 47 A K T 3< S+ 0 0 141 -4,-1.2 -6,-0.1 -3,-0.4 3,-0.1 -0.374 85.3 5.7 -58.8 132.6 -49.7 -33.3 -42.6 48 48 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.2 -2,-0.0 -7,-0.1 -0.008 103.2 119.4 86.7 -32.3 -46.5 -33.6 -44.7 49 49 A K < - 0 0 92 -3,-1.0 -1,-0.3 -9,-0.1 2,-0.2 -0.224 60.7-123.7 -69.3 156.5 -44.1 -33.6 -41.7 50 50 A S > - 0 0 55 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.587 32.6-101.5 -93.9 164.7 -41.7 -36.4 -40.9 51 51 A V H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.825 125.4 54.0 -54.6 -30.1 -41.7 -38.1 -37.4 52 52 A A H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 108.7 47.1 -69.8 -42.9 -38.6 -35.9 -36.6 53 53 A D H 4 S+ 0 0 88 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.871 113.2 49.8 -61.6 -42.4 -40.5 -32.8 -37.4 54 54 A I H >< S+ 0 0 2 -4,-2.4 3,-1.1 2,-0.2 6,-0.3 0.899 108.0 51.8 -63.9 -46.3 -43.4 -34.0 -35.4 55 55 A K H 3< S+ 0 0 122 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.856 113.6 46.2 -60.0 -34.9 -41.2 -34.8 -32.4 56 56 A A T 3< S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.515 88.7 116.7 -87.8 -4.6 -39.8 -31.3 -32.6 57 57 A S X - 0 0 19 -3,-1.1 3,-1.5 -4,-0.3 4,-0.4 -0.447 61.5-146.4 -70.4 129.9 -43.2 -29.7 -33.0 58 58 A P T 3 S+ 0 0 126 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.601 100.7 60.8 -68.4 -5.2 -44.4 -27.2 -30.3 59 59 A K T 3> S+ 0 0 101 1,-0.1 4,-1.6 2,-0.1 3,-0.3 0.538 78.5 86.1 -96.6 -14.7 -47.9 -28.6 -31.1 60 60 A L H <> S+ 0 0 8 -3,-1.5 4,-3.0 -6,-0.3 5,-0.3 0.917 86.0 53.0 -54.1 -48.4 -47.2 -32.2 -30.2 61 61 A R H > S+ 0 0 97 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.853 105.9 53.0 -57.2 -40.9 -48.0 -31.8 -26.6 62 62 A D H > S+ 0 0 124 -3,-0.3 4,-1.6 -4,-0.2 -1,-0.2 0.895 114.3 44.0 -61.2 -43.6 -51.4 -30.2 -27.2 63 63 A V H X S+ 0 0 3 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.934 115.4 43.9 -67.0 -52.0 -52.4 -33.1 -29.5 64 64 A S H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.874 113.6 52.0 -70.6 -30.0 -51.1 -36.0 -27.4 65 65 A S H X S+ 0 0 28 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.925 106.4 52.1 -71.9 -39.0 -52.6 -34.6 -24.2 66 66 A R H X S+ 0 0 131 -4,-1.6 4,-1.5 -5,-0.2 5,-0.2 0.875 112.8 48.4 -63.8 -31.7 -56.1 -34.1 -25.6 67 67 A I H X S+ 0 0 41 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.952 113.3 43.8 -74.0 -45.3 -55.9 -37.8 -26.7 68 68 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.834 111.6 54.5 -70.0 -30.3 -54.7 -39.1 -23.4 69 69 A T H X S+ 0 0 72 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.929 113.0 42.5 -65.8 -45.1 -57.2 -37.0 -21.4 70 70 A R H X S+ 0 0 87 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.891 112.0 54.9 -67.0 -42.4 -60.1 -38.4 -23.5 71 71 A L H X S+ 0 0 15 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.878 103.2 54.9 -61.0 -39.3 -58.8 -41.9 -23.3 72 72 A N H X S+ 0 0 27 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.929 106.7 51.7 -61.5 -42.3 -58.6 -41.8 -19.6 73 73 A E H X S+ 0 0 79 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.878 108.4 51.7 -61.5 -37.7 -62.3 -40.9 -19.5 74 74 A F H X S+ 0 0 3 -4,-2.0 4,-0.9 2,-0.2 3,-0.3 0.946 111.2 46.4 -66.1 -40.2 -63.1 -43.8 -21.8 75 75 A V H >< S+ 0 0 8 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.898 110.9 54.5 -67.2 -42.3 -61.2 -46.2 -19.5 76 76 A N H 3< S+ 0 0 100 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 118.3 32.3 -61.7 -28.1 -63.0 -44.6 -16.5 77 77 A N H >< S+ 0 0 23 -4,-1.5 3,-2.4 -3,-0.3 7,-0.3 0.380 83.1 113.7-111.0 1.8 -66.5 -45.2 -17.9 78 78 A A T << S+ 0 0 0 -4,-0.9 -76,-2.3 -3,-0.6 -1,-0.1 0.667 75.8 50.6 -46.9 -36.1 -65.9 -48.4 -19.9 79 79 A A T 3 S+ 0 0 48 -4,-0.3 2,-0.7 -78,-0.2 -1,-0.3 0.343 93.4 83.9 -87.0 3.6 -68.1 -50.6 -17.8 80 80 A N <> - 0 0 69 -3,-2.4 4,-2.4 1,-0.2 3,-0.3 -0.880 59.0-168.2-113.6 100.1 -71.0 -48.2 -18.0 81 81 A A H > S+ 0 0 54 -2,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.731 86.4 57.8 -54.6 -29.5 -72.9 -48.8 -21.2 82 82 A G H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 110.2 38.4 -69.7 -50.8 -74.8 -45.6 -20.7 83 83 A K H > S+ 0 0 104 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.849 114.3 58.1 -69.9 -34.4 -71.8 -43.2 -20.5 84 84 A M H X S+ 0 0 3 -4,-2.4 4,-3.6 -7,-0.3 5,-0.3 0.859 99.5 59.5 -61.6 -39.2 -70.2 -45.2 -23.2 85 85 A S H X S+ 0 0 73 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.919 113.5 33.1 -51.6 -60.0 -73.1 -44.6 -25.5 86 86 A A H X S+ 0 0 65 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.819 118.5 54.9 -69.8 -37.9 -72.9 -40.8 -25.5 87 87 A M H X S+ 0 0 35 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.958 112.0 42.8 -62.7 -51.3 -69.1 -40.9 -25.2 88 88 A L H X S+ 0 0 19 -4,-3.6 4,-3.0 2,-0.2 5,-0.2 0.879 114.2 53.1 -59.2 -41.4 -68.8 -43.1 -28.3 89 89 A S H X S+ 0 0 61 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.951 113.0 40.4 -59.3 -58.2 -71.4 -41.1 -30.2 90 90 A Q H X S+ 0 0 98 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.863 115.3 52.7 -60.4 -42.5 -69.8 -37.7 -29.7 91 91 A F H X S+ 0 0 20 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.949 112.6 44.5 -59.6 -50.2 -66.3 -39.1 -30.2 92 92 A A H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.900 111.9 53.1 -59.1 -44.7 -67.3 -40.7 -33.6 93 93 A K H X S+ 0 0 141 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.900 110.6 46.8 -58.1 -47.9 -69.2 -37.6 -34.6 94 94 A E H X S+ 0 0 59 -4,-2.3 4,-0.7 1,-0.2 3,-0.2 0.975 115.2 44.4 -62.2 -55.0 -66.2 -35.4 -34.0 95 95 A H H >X>S+ 0 0 39 -4,-2.3 5,-1.9 1,-0.2 3,-1.1 0.878 107.5 55.2 -59.9 -44.4 -63.7 -37.6 -35.8 96 96 A V H ><5S+ 0 0 44 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.863 103.3 60.5 -58.2 -34.5 -65.7 -38.5 -38.9 97 97 A G H 3<5S+ 0 0 65 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.774 104.2 48.1 -62.5 -29.4 -66.0 -34.7 -39.4 98 98 A F H <<5S- 0 0 147 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.545 125.1-101.1 -93.0 -4.2 -62.3 -34.5 -39.7 99 99 A G T <<5S+ 0 0 50 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.473 77.8 134.5 100.0 6.3 -62.0 -37.3 -42.1 100 100 A V < - 0 0 17 -5,-1.9 -1,-0.3 -8,-0.1 2,-0.2 -0.695 30.6-178.6 -90.4 131.5 -60.9 -40.1 -39.8 101 101 A G >> - 0 0 5 -2,-0.4 3,-1.3 45,-0.2 4,-0.7 -0.672 45.4 -82.3-123.5-177.7 -62.7 -43.4 -40.1 102 102 A S H 3> S+ 0 0 16 1,-0.3 4,-1.9 -2,-0.2 3,-0.3 0.706 118.6 69.7 -57.7 -27.7 -62.7 -46.8 -38.5 103 103 A A H 3> S+ 0 0 53 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.870 97.7 50.6 -60.0 -38.3 -59.7 -48.0 -40.5 104 104 A Q H <> S+ 0 0 34 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.761 111.1 50.0 -70.6 -25.5 -57.4 -45.5 -38.5 105 105 A F H X S+ 0 0 22 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.771 101.5 59.9 -83.4 -29.7 -58.9 -47.0 -35.3 106 106 A E H X S+ 0 0 79 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.870 107.2 49.8 -60.5 -39.1 -58.2 -50.6 -36.5 107 107 A N H X S+ 0 0 35 -4,-1.3 4,-1.6 2,-0.2 5,-0.2 0.969 109.1 49.2 -64.7 -51.4 -54.5 -49.4 -36.6 108 108 A V H X S+ 0 0 11 -4,-1.4 4,-2.4 1,-0.2 3,-0.5 0.952 110.7 51.8 -53.7 -49.9 -54.5 -47.9 -33.1 109 109 A R H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 106.6 55.3 -55.8 -36.5 -56.1 -51.1 -31.8 110 110 A S H < S+ 0 0 83 -4,-1.7 -1,-0.2 -3,-0.2 4,-0.2 0.864 118.0 30.6 -65.9 -40.7 -53.3 -53.1 -33.5 111 111 A M H X S+ 0 0 14 -4,-1.6 4,-1.8 -3,-0.5 -1,-0.2 0.523 98.1 86.0 -98.9 -13.1 -50.5 -51.3 -31.8 112 112 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 3,-0.2 0.947 86.5 49.1 -58.9 -51.6 -52.0 -50.4 -28.6 113 113 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.910 113.0 51.8 -54.5 -39.1 -51.4 -53.5 -26.4 114 114 A G H > S+ 0 0 52 -4,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.873 108.2 51.0 -62.4 -39.8 -47.8 -53.3 -27.6 115 115 A F H < S+ 0 0 14 -4,-1.8 3,-0.3 -3,-0.2 4,-0.3 0.938 110.3 48.1 -65.6 -46.8 -47.5 -49.7 -26.6 116 116 A V H >X S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.2 4,-2.1 0.944 108.6 54.1 -61.3 -47.4 -48.8 -50.4 -23.0 117 117 A A H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.746 98.2 65.5 -62.1 -19.5 -46.5 -53.4 -22.5 118 118 A S T 3< S+ 0 0 83 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.664 108.8 38.6 -77.9 -12.6 -43.6 -51.1 -23.4 119 119 A V T <4 S- 0 0 50 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.783 138.0 -22.3-103.8 -37.4 -44.4 -49.2 -20.2 120 120 A A S < S- 0 0 41 -4,-2.1 -1,-0.4 -107,-0.1 -2,-0.1 -0.906 73.8 -91.5-172.4 143.6 -45.3 -52.1 -18.0 121 121 A A - 0 0 96 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.483 48.3-131.7 -64.4 116.7 -46.4 -55.7 -18.4 122 122 A P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.290 24.6 -99.3 -68.3 156.5 -50.2 -55.6 -18.3 123 123 A P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.264 54.8 -79.2 -66.1 162.0 -52.1 -58.1 -16.1 124 124 A A T 3 S+ 0 0 97 1,-0.2 -115,-0.0 2,-0.1 0, 0.0 -0.412 120.9 23.9 -61.7 140.5 -53.6 -61.2 -17.9 125 125 A G T 3> S+ 0 0 46 -3,-0.1 4,-1.5 -2,-0.1 -1,-0.2 0.218 94.4 105.0 85.2 -11.8 -56.8 -60.4 -19.7 126 126 A A H <> S+ 0 0 0 -3,-1.6 4,-1.8 1,-0.2 5,-0.2 0.903 75.7 52.1 -68.0 -38.9 -55.9 -56.7 -20.1 127 127 A D H > S+ 0 0 70 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.926 109.1 49.0 -65.1 -40.1 -54.9 -56.9 -23.7 128 128 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 107.4 57.7 -63.3 -36.4 -58.3 -58.5 -24.6 129 129 A A H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.913 107.9 45.9 -60.7 -43.2 -60.0 -55.7 -22.6 130 130 A W H X S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.882 109.4 52.6 -67.6 -41.5 -58.4 -53.0 -24.8 131 131 A T H X S+ 0 0 57 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.862 111.7 48.5 -65.7 -31.0 -59.1 -54.7 -28.1 132 132 A K H X S+ 0 0 92 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.932 111.6 49.1 -71.0 -46.7 -62.7 -54.9 -26.9 133 133 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.916 113.6 44.6 -56.2 -50.8 -62.7 -51.2 -25.9 134 134 A F H X S+ 0 0 8 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.762 108.1 60.7 -65.5 -26.2 -61.2 -50.2 -29.3 135 135 A G H X S+ 0 0 13 -4,-1.1 4,-1.8 -5,-0.3 -2,-0.2 0.898 102.5 52.3 -66.6 -41.3 -63.7 -52.5 -30.9 136 136 A L H X S+ 0 0 37 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.869 110.8 46.7 -63.4 -35.7 -66.4 -50.4 -29.4 137 137 A I H X S+ 0 0 3 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.881 108.5 53.3 -73.6 -39.4 -64.9 -47.3 -30.9 138 138 A I H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.840 109.4 51.6 -63.7 -35.8 -64.4 -48.8 -34.3 139 139 A D H X S+ 0 0 97 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.895 105.8 53.3 -69.6 -42.0 -68.1 -49.7 -34.3 140 140 A A H X S+ 0 0 19 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.858 108.7 51.3 -61.1 -34.4 -69.1 -46.2 -33.4 141 141 A L H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 4,-0.3 0.890 107.6 50.0 -70.6 -41.7 -67.1 -44.9 -36.3 142 142 A K H ><5S+ 0 0 116 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.874 111.5 50.3 -63.8 -40.7 -68.7 -47.2 -38.8 143 143 A A H 3<5S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.825 105.3 55.8 -65.8 -37.1 -72.1 -46.1 -37.5 144 144 A A T 3<5S- 0 0 43 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.624 130.1-101.9 -70.6 -12.2 -71.1 -42.4 -37.9 145 145 A G T < 5 0 0 65 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.561 360.0 360.0 102.4 17.4 -70.4 -43.4 -41.5 146 146 A A < 0 0 57 -5,-2.4 -1,-0.2 -46,-0.1 -45,-0.2 -0.272 360.0 360.0-126.8 360.0 -66.7 -43.8 -41.9