==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 22-FEB-89 4MBA . 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) . 7274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 76.0 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 . 0 0.0 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 . 90 61.6 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 64 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 178.6 -69.7 -51.7 -22.8 2 2 A L - 0 0 3 76,-2.4 79,-0.1 1,-0.1 2,-0.1 -0.696 360.0-104.7-100.9 157.7 -67.2 -53.6 -21.0 3 3 A S > - 0 0 55 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.338 33.8-108.3 -76.6 165.2 -67.9 -55.6 -17.8 4 4 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.889 123.1 52.9 -62.1 -36.5 -66.7 -54.2 -14.6 5 5 A A H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.968 111.5 43.7 -61.8 -52.5 -64.1 -56.9 -14.6 6 6 A E H > S+ 0 0 52 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.930 113.0 53.4 -58.1 -44.8 -62.9 -56.0 -18.0 7 7 A A H X S+ 0 0 15 -4,-3.1 4,-2.0 1,-0.2 -1,-0.3 0.862 106.0 53.0 -60.5 -36.4 -63.0 -52.4 -17.1 8 8 A D H X S+ 0 0 95 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 108.1 50.2 -65.9 -40.6 -60.9 -53.1 -14.1 9 9 A L H X S+ 0 0 48 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.861 110.5 49.5 -64.8 -42.6 -58.3 -54.8 -16.2 10 10 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.854 112.5 48.5 -66.2 -33.5 -58.1 -51.9 -18.6 11 11 A G H X S+ 0 0 23 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.931 108.6 53.2 -72.5 -43.2 -57.8 -49.5 -15.8 12 12 A K H < S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 112.0 44.3 -57.5 -46.9 -55.1 -51.5 -14.2 13 13 A S H X S+ 0 0 4 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.766 113.6 52.2 -70.5 -24.3 -53.0 -51.5 -17.4 14 14 A W H X S+ 0 0 6 -4,-1.3 4,-3.1 -5,-0.2 5,-0.3 0.793 90.4 77.1 -79.3 -35.6 -53.6 -47.9 -18.0 15 15 A A H X S+ 0 0 58 -4,-2.1 4,-1.8 1,-0.2 -1,-0.1 0.898 94.8 46.6 -44.7 -55.8 -52.5 -46.6 -14.7 16 16 A P H > S+ 0 0 48 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.899 115.2 47.9 -57.2 -41.8 -48.8 -46.9 -15.3 17 17 A V H >< S+ 0 0 1 -4,-0.5 3,-0.8 1,-0.2 7,-0.2 0.944 113.0 45.4 -65.1 -50.9 -49.2 -45.2 -18.7 18 18 A F H >< S+ 0 0 57 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.770 95.0 80.7 -64.9 -23.3 -51.3 -42.4 -17.5 19 19 A A H 3< S+ 0 0 76 -4,-1.8 2,-0.5 -5,-0.3 -1,-0.2 0.889 104.8 33.2 -47.6 -40.5 -48.8 -42.0 -14.5 20 20 A N T + 0 0 54 -3,-1.0 4,-2.6 -2,-0.5 5,-0.2 0.887 66.8 46.9 -55.4 -53.1 -49.2 -38.5 -19.0 22 22 A N H > S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.974 119.1 38.1 -58.4 -61.0 -47.2 -35.8 -20.9 23 23 A A H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 121.7 45.4 -61.3 -41.1 -44.3 -38.0 -21.9 24 24 A N H X S+ 0 0 18 -4,-2.4 4,-1.9 -7,-0.2 -1,-0.2 0.845 108.6 54.9 -72.8 -34.6 -46.4 -41.1 -22.6 25 25 A G H X S+ 0 0 2 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.867 110.6 47.3 -63.8 -38.1 -49.1 -39.2 -24.5 26 26 A L H X S+ 0 0 31 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.904 110.5 51.4 -68.9 -42.3 -46.3 -37.8 -26.8 27 27 A D H X S+ 0 0 94 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.845 107.0 53.4 -64.5 -37.4 -44.8 -41.2 -27.3 28 28 A F H X S+ 0 0 8 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.960 109.9 47.5 -65.6 -48.6 -48.1 -42.8 -28.2 29 29 A L H X S+ 0 0 1 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.919 114.3 46.6 -59.3 -43.1 -48.8 -40.2 -30.9 30 30 A V H X S+ 0 0 10 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.903 109.7 53.4 -64.9 -44.3 -45.3 -40.6 -32.4 31 31 A A H X S+ 0 0 16 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.854 108.2 52.1 -61.7 -33.2 -45.5 -44.4 -32.3 32 32 A L H X S+ 0 0 15 -4,-1.8 4,-3.1 -5,-0.2 7,-0.2 0.976 109.7 47.2 -66.9 -50.3 -48.7 -44.2 -34.3 33 33 A F H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.0 49.9 -62.2 -30.4 -47.2 -42.0 -36.9 34 34 A E H < S+ 0 0 102 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.938 118.0 37.0 -72.5 -51.9 -44.2 -44.3 -37.2 35 35 A K H < S+ 0 0 110 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.798 132.1 28.6 -70.3 -32.9 -46.2 -47.5 -37.6 36 36 A F >< + 0 0 45 -4,-3.1 3,-1.9 -5,-0.2 4,-0.3 -0.651 67.9 177.0-134.7 72.3 -49.0 -45.9 -39.7 37 37 A P G > S+ 0 0 89 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.785 73.3 69.1 -46.1 -39.8 -47.5 -43.0 -41.6 38 38 A D G > S+ 0 0 74 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.783 86.1 72.5 -52.5 -33.2 -50.8 -42.2 -43.4 39 39 A S G X S+ 0 0 8 -3,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.742 82.6 65.8 -62.0 -15.9 -52.3 -41.0 -40.2 40 40 A A G X S+ 0 0 9 -3,-1.9 3,-1.4 -4,-0.3 6,-0.3 0.776 86.7 72.2 -76.0 -20.1 -50.2 -37.9 -40.1 41 41 A N G < S+ 0 0 104 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.745 83.0 67.4 -59.9 -33.1 -52.0 -36.6 -43.1 42 42 A F G < S+ 0 0 73 -3,-0.8 2,-0.5 -4,-0.4 -1,-0.3 0.531 96.2 69.8 -68.7 -6.7 -55.3 -36.0 -41.1 43 43 A F S <> S- 0 0 71 -3,-1.4 4,-1.5 -4,-0.2 3,-0.3 -0.954 76.0-146.1-118.7 127.3 -53.3 -33.3 -39.3 44 44 A A T 4 S+ 0 0 77 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 0.875 96.4 39.0 -53.0 -58.0 -52.2 -30.0 -41.0 45 45 A D T 4 S+ 0 0 54 1,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.649 118.0 51.7 -69.6 -22.3 -48.9 -29.2 -39.4 46 46 A F T 4 S+ 0 0 5 -3,-0.3 2,-0.3 -6,-0.3 3,-0.2 0.673 85.0 96.8 -91.7 -19.7 -47.9 -32.9 -39.4 47 47 A K S < S+ 0 0 113 -4,-1.5 3,-0.1 1,-0.2 -6,-0.1 -0.591 93.2 17.4 -77.2 132.9 -48.6 -33.6 -43.0 48 48 A G S S+ 0 0 85 1,-0.4 -1,-0.2 -2,-0.3 -2,-0.1 -0.338 108.3 112.4 103.7 -40.4 -45.5 -33.5 -45.2 49 49 A K - 0 0 77 -3,-0.2 -1,-0.4 -4,-0.2 2,-0.2 -0.173 64.6-125.3 -69.4 155.8 -43.4 -33.7 -42.1 50 50 A S >> - 0 0 54 -3,-0.1 4,-2.4 1,-0.1 3,-0.7 -0.506 30.2-106.6 -94.0 157.0 -41.2 -36.3 -40.8 51 51 A V H 3> S+ 0 0 40 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.876 124.1 55.0 -54.4 -37.4 -41.4 -38.0 -37.5 52 52 A A H 3> S+ 0 0 67 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.883 107.7 47.9 -65.2 -35.6 -38.4 -36.0 -36.5 53 53 A D H <4 S+ 0 0 78 -3,-0.7 4,-0.3 2,-0.2 -2,-0.2 0.840 112.7 49.9 -71.0 -36.1 -40.2 -32.8 -37.4 54 54 A I H >< S+ 0 0 2 -4,-2.4 3,-2.1 2,-0.2 6,-0.3 0.950 107.6 51.9 -65.9 -51.5 -43.2 -33.9 -35.4 55 55 A K H 3< S+ 0 0 117 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 111.4 49.7 -53.4 -34.9 -41.1 -34.8 -32.4 56 56 A A T 3< S+ 0 0 78 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.530 87.4 116.6 -83.4 -10.1 -39.7 -31.3 -32.6 57 57 A S X - 0 0 16 -3,-2.1 3,-1.0 -4,-0.3 4,-0.4 -0.387 60.2-148.3 -68.8 134.3 -43.1 -29.6 -32.9 58 58 A P T 3 S+ 0 0 126 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.602 100.7 60.7 -71.9 -7.5 -44.3 -27.1 -30.3 59 59 A K T 3> S+ 0 0 116 -5,-0.1 4,-1.9 1,-0.1 3,-0.5 0.666 79.3 87.3 -91.9 -17.4 -47.8 -28.4 -31.1 60 60 A L H <> S+ 0 0 9 -3,-1.0 4,-3.2 -6,-0.3 5,-0.3 0.877 85.0 51.3 -48.9 -53.4 -47.2 -32.0 -30.2 61 61 A R H > S+ 0 0 96 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.861 108.6 50.5 -57.7 -43.7 -48.0 -31.8 -26.6 62 62 A D H > S+ 0 0 113 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.2 0.930 115.2 44.7 -63.9 -41.6 -51.4 -30.1 -27.2 63 63 A V H X S+ 0 0 42 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.950 116.4 42.2 -68.2 -49.4 -52.4 -32.7 -29.7 64 64 A S H X S+ 0 0 1 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.825 109.8 59.3 -72.5 -23.7 -51.3 -35.7 -27.8 65 65 A S H X S+ 0 0 22 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.929 100.7 53.0 -67.3 -45.7 -52.6 -34.5 -24.5 66 66 A R H X S+ 0 0 203 -4,-1.5 4,-1.8 1,-0.2 5,-0.2 0.916 107.6 54.2 -59.8 -37.4 -56.2 -34.2 -25.7 67 67 A I H X S+ 0 0 56 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.967 110.8 43.5 -62.1 -49.6 -55.9 -37.7 -26.8 68 68 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.848 110.3 55.8 -65.8 -34.1 -54.8 -39.0 -23.4 69 69 A T H X S+ 0 0 70 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.880 111.5 43.9 -66.5 -35.5 -57.3 -36.9 -21.5 70 70 A R H X S+ 0 0 86 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.907 110.6 53.2 -77.0 -37.1 -60.2 -38.4 -23.5 71 71 A L H X S+ 0 0 15 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.863 105.6 55.7 -63.4 -35.6 -58.9 -42.0 -23.3 72 72 A N H X S+ 0 0 25 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.913 107.3 48.7 -61.7 -46.2 -58.7 -41.6 -19.6 73 73 A E H X S+ 0 0 81 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.871 110.5 51.7 -64.1 -34.9 -62.4 -40.7 -19.5 74 74 A F H X S+ 0 0 3 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.910 110.2 48.7 -69.2 -36.8 -63.2 -43.6 -21.7 75 75 A V H < S+ 0 0 11 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.827 109.8 53.0 -64.5 -40.8 -61.3 -45.9 -19.3 76 76 A N H < S+ 0 0 98 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.871 119.4 32.1 -61.7 -42.1 -63.1 -44.5 -16.4 77 77 A N H >< S+ 0 0 26 -4,-1.6 3,-2.1 1,-0.2 7,-0.4 0.338 80.9 115.2-101.2 1.7 -66.6 -45.1 -17.9 78 78 A A T 3< S+ 0 0 0 -4,-0.7 -76,-2.4 1,-0.3 -1,-0.2 0.710 75.9 51.4 -43.5 -36.2 -66.0 -48.2 -19.9 79 79 A A T 3 S+ 0 0 46 -3,-0.3 2,-0.5 -78,-0.2 -1,-0.3 0.129 93.2 79.0 -95.8 21.0 -68.4 -50.4 -17.8 80 80 A N <> - 0 0 74 -3,-2.1 4,-2.4 1,-0.1 3,-0.3 -0.832 61.4-166.7-131.0 89.7 -71.3 -48.1 -18.0 81 81 A A H > S+ 0 0 54 -2,-0.5 4,-2.6 1,-0.2 5,-0.1 0.759 86.3 59.9 -45.6 -33.5 -73.0 -48.5 -21.4 82 82 A G H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.987 108.5 40.1 -61.6 -61.0 -74.9 -45.4 -20.8 83 83 A K H > S+ 0 0 110 -3,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.870 114.7 54.3 -55.8 -42.0 -72.0 -43.1 -20.5 84 84 A M H X S+ 0 0 3 -4,-2.4 4,-3.7 -7,-0.4 5,-0.3 0.933 102.0 59.6 -58.8 -46.2 -70.2 -44.9 -23.3 85 85 A S H X S+ 0 0 79 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.938 113.0 36.6 -43.8 -60.5 -73.3 -44.4 -25.5 86 86 A A H X S+ 0 0 64 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.904 118.0 50.2 -62.5 -45.7 -73.0 -40.7 -25.3 87 87 A M H X S+ 0 0 36 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.888 112.0 48.1 -62.0 -41.8 -69.2 -40.7 -25.2 88 88 A L H X S+ 0 0 20 -4,-3.7 4,-2.9 2,-0.2 5,-0.3 0.859 111.0 50.6 -63.3 -42.8 -69.0 -42.9 -28.3 89 89 A S H X S+ 0 0 55 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.943 114.2 43.8 -63.1 -50.0 -71.5 -40.9 -30.3 90 90 A Q H X S+ 0 0 97 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.899 113.7 50.7 -66.0 -39.2 -69.7 -37.7 -29.6 91 91 A F H X S+ 0 0 21 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.949 114.5 42.5 -64.4 -49.0 -66.3 -39.1 -30.3 92 92 A A H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.942 111.5 55.5 -62.2 -46.8 -67.3 -40.6 -33.7 93 93 A K H X S+ 0 0 139 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.928 111.1 46.3 -52.4 -45.2 -69.2 -37.4 -34.6 94 94 A E H X S+ 0 0 59 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.941 114.2 44.8 -65.0 -49.0 -66.1 -35.4 -34.0 95 95 A H H >X>S+ 0 0 47 -4,-2.2 5,-2.0 1,-0.2 3,-1.2 0.888 107.8 55.6 -65.0 -41.5 -63.6 -37.7 -35.9 96 96 A V H ><5S+ 0 0 46 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.873 100.1 63.5 -58.9 -34.6 -65.7 -38.2 -38.9 97 97 A G H 3<5S+ 0 0 69 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.780 104.3 46.7 -59.6 -28.6 -65.9 -34.5 -39.3 98 98 A F H <<5S- 0 0 160 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.533 123.7-102.5 -93.4 -7.8 -62.2 -34.5 -39.8 99 99 A G T <<5S+ 0 0 51 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.497 79.4 133.2 97.4 5.6 -62.2 -37.4 -42.3 100 100 A V < + 0 0 17 -5,-2.0 -1,-0.4 -6,-0.1 2,-0.2 -0.701 28.4 168.7 -87.7 137.8 -61.0 -40.0 -39.8 101 101 A G >> - 0 0 6 -2,-0.3 3,-1.4 45,-0.2 4,-0.8 -0.745 51.2 -70.0-138.0-173.4 -62.9 -43.3 -39.8 102 102 A S H 3> S+ 0 0 11 1,-0.3 4,-1.9 -2,-0.2 5,-0.2 0.629 118.8 69.2 -53.7 -28.0 -62.7 -46.7 -38.4 103 103 A A H 3> S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.890 100.8 50.0 -62.0 -35.2 -59.8 -47.8 -40.5 104 104 A Q H <> S+ 0 0 34 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.801 111.2 47.7 -68.5 -35.3 -57.7 -45.4 -38.5 105 105 A F H X S+ 0 0 20 -4,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.729 103.1 61.4 -80.1 -22.4 -59.0 -46.8 -35.2 106 106 A E H X S+ 0 0 68 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 106.2 48.8 -65.7 -36.8 -58.3 -50.3 -36.5 107 107 A N H X S+ 0 0 37 -4,-1.3 4,-1.7 2,-0.2 5,-0.2 0.952 110.1 49.1 -65.4 -49.9 -54.7 -49.1 -36.7 108 108 A V H X S+ 0 0 13 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.928 110.8 51.9 -53.4 -47.6 -54.8 -47.7 -33.1 109 109 A R H < S+ 0 0 78 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.924 106.6 54.3 -53.6 -51.5 -56.3 -51.0 -32.0 110 110 A S H < S+ 0 0 88 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.860 119.0 30.3 -49.4 -50.2 -53.4 -53.0 -33.6 111 111 A M H X S+ 0 0 6 -4,-1.7 4,-1.5 1,-0.1 -1,-0.2 0.509 97.6 88.7 -94.2 -9.7 -50.6 -51.2 -31.9 112 112 A F H X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.4 3,-0.4 0.949 86.0 48.5 -57.4 -57.2 -52.3 -50.3 -28.6 113 113 A P H > S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.882 112.3 50.5 -51.7 -41.6 -51.5 -53.4 -26.5 114 114 A G H > S+ 0 0 50 -4,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.836 108.9 52.7 -66.6 -34.6 -47.8 -53.3 -27.6 115 115 A F H < S+ 0 0 18 -4,-1.5 4,-0.4 -3,-0.4 3,-0.3 0.945 110.1 45.3 -66.2 -50.5 -47.7 -49.7 -26.6 116 116 A V H >X S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.2 4,-1.8 0.945 110.9 55.6 -57.5 -45.6 -49.0 -50.2 -23.1 117 117 A A H 3< S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.805 96.2 64.2 -60.6 -30.1 -46.7 -53.2 -22.7 118 118 A S T 3< S+ 0 0 91 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.628 109.1 42.3 -67.9 -12.6 -43.7 -51.0 -23.5 119 119 A V T <4 S- 0 0 50 -3,-2.0 2,-0.3 -4,-0.4 -2,-0.2 0.786 136.5 -24.6 -99.9 -44.1 -44.6 -49.2 -20.3 120 120 A A S < S- 0 0 41 -4,-1.8 -1,-0.4 -107,-0.1 -2,-0.1 -0.864 75.2 -92.2-170.5 137.4 -45.4 -52.0 -17.9 121 121 A A - 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