==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 13-DEC-99 1DM1 . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: APLYSIA LIMACINA; . AUTHOR L.FEDERICI,C.SAVINO,R.MUSTO,C.TRAVAGLINI-ALLOCATELLI, . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 82.2 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 15.8 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 0 1 0 0 0 0 0 0 0 0 1 1 1 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 53 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 174.8 -16.3 33.8 10.5 2 2 A L - 0 0 6 76,-2.7 79,-0.1 1,-0.1 82,-0.1 -0.791 360.0-107.1-100.1 158.7 -19.3 34.6 12.7 3 3 A S > - 0 0 56 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.174 38.5-101.3 -75.5 169.7 -19.3 35.6 16.3 4 4 A A H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.899 124.5 50.3 -58.9 -42.8 -20.4 33.1 18.9 5 5 A A H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 112.3 46.1 -64.6 -45.8 -23.8 34.9 19.1 6 6 A E H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.926 112.3 51.2 -61.2 -43.3 -24.3 34.9 15.3 7 7 A A H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.872 110.3 49.1 -58.3 -47.1 -23.3 31.3 15.1 8 8 A D H X S+ 0 0 90 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.885 111.9 48.2 -61.3 -41.8 -25.7 30.3 17.8 9 9 A L H X S+ 0 0 37 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.923 112.8 48.3 -66.3 -41.6 -28.5 32.2 16.1 10 10 A A H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.952 112.0 50.3 -62.9 -42.7 -27.7 30.6 12.7 11 11 A G H X S+ 0 0 22 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.898 111.3 48.0 -63.0 -43.8 -27.6 27.2 14.4 12 12 A K H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 113.8 45.2 -66.5 -44.9 -31.0 27.7 16.1 13 13 A S H < S+ 0 0 5 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.743 113.8 51.7 -70.8 -21.4 -32.7 28.9 12.9 14 14 A W H >X S+ 0 0 5 -4,-1.8 4,-2.8 -5,-0.2 3,-0.5 0.823 90.4 77.7 -85.9 -24.8 -31.2 26.1 10.9 15 15 A A H 3X S+ 0 0 57 -4,-1.6 4,-2.5 1,-0.3 -1,-0.1 0.894 95.9 43.5 -58.4 -49.2 -32.2 23.2 13.2 16 16 A P H 3> S+ 0 0 54 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.832 115.2 52.0 -67.2 -25.7 -35.8 22.9 12.1 17 17 A V H X4 S+ 0 0 0 -3,-0.5 3,-0.9 -4,-0.5 7,-0.3 0.936 113.8 41.7 -71.9 -43.4 -34.8 23.3 8.4 18 18 A F H >< S+ 0 0 50 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.805 101.6 70.6 -75.4 -26.4 -32.2 20.6 8.7 19 19 A A H 3< S+ 0 0 87 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.804 108.7 35.9 -63.0 -26.3 -34.5 18.4 10.7 20 20 A N T + 0 0 87 -3,-1.3 4,-2.6 2,-0.2 5,-0.3 0.828 58.3 50.1 -44.4 -54.3 -33.6 17.9 5.3 22 22 A N H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.982 118.3 36.9 -63.6 -52.0 -34.6 16.0 2.2 23 23 A A H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 118.7 49.0 -68.0 -36.8 -37.7 17.9 1.5 24 24 A N H X S+ 0 0 20 -4,-2.5 4,-2.4 -7,-0.3 -1,-0.2 0.847 109.2 52.9 -75.0 -32.1 -36.4 21.3 2.6 25 25 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 5,-0.2 0.931 111.4 46.4 -66.4 -42.2 -33.3 20.9 0.5 26 26 A D H X S+ 0 0 31 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.949 113.7 48.5 -61.0 -44.4 -35.4 20.2 -2.5 27 27 A A H X S+ 0 0 45 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.890 109.0 54.6 -67.1 -34.4 -37.7 23.1 -1.8 28 28 A F H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 110.6 43.9 -58.6 -54.2 -34.7 25.4 -1.3 29 29 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 114.1 50.7 -65.3 -37.5 -33.2 24.6 -4.7 30 30 A V H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.941 110.4 49.5 -63.1 -42.1 -36.6 24.9 -6.4 31 31 A A H X S+ 0 0 35 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.908 111.2 49.6 -66.6 -36.9 -37.2 28.3 -4.8 32 32 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.933 113.2 46.1 -63.7 -46.3 -33.8 29.4 -5.9 33 33 A F H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.811 108.3 59.0 -69.1 -29.4 -34.4 28.3 -9.5 34 34 A E H < S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.825 117.9 27.5 -72.4 -41.2 -37.9 29.8 -9.6 35 35 A K H < S+ 0 0 144 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.731 131.4 35.7-112.5 15.6 -37.0 33.1 -8.9 36 36 A F S >< S+ 0 0 34 -4,-2.3 3,-2.0 -5,-0.3 4,-0.4 -0.563 70.5 173.5-132.2 75.7 -33.4 33.1 -10.4 37 37 A P G > + 0 0 78 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.803 69.8 65.6 -57.9 -23.6 -33.9 30.8 -13.3 38 38 A D G > S+ 0 0 87 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.732 84.8 77.6 -73.3 -15.8 -30.5 31.3 -14.8 39 39 A S G X S+ 0 0 9 -3,-2.0 3,-1.2 1,-0.2 -1,-0.3 0.869 86.8 60.3 -54.0 -35.5 -29.1 29.6 -11.7 40 40 A A G X S+ 0 0 4 -3,-1.4 3,-1.6 -4,-0.4 6,-0.4 0.809 90.7 67.9 -68.5 -24.3 -30.2 26.3 -13.2 41 41 A N G < S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.574 87.1 67.3 -74.7 -7.5 -28.0 26.7 -16.3 42 42 A F G < S+ 0 0 72 -3,-1.2 2,-0.6 -4,-0.4 -1,-0.3 0.690 88.9 79.2 -81.4 -18.4 -24.8 26.3 -14.2 43 43 A F S X> S- 0 0 54 -3,-1.6 4,-2.0 -4,-0.2 3,-1.6 -0.826 70.7-150.6 -95.8 124.8 -25.8 22.7 -13.5 44 44 A A T 34 S+ 0 0 98 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.875 100.2 52.9 -58.7 -37.6 -25.0 20.2 -16.3 45 45 A D T 34 S+ 0 0 59 1,-0.2 -1,-0.3 14,-0.1 14,-0.1 0.625 119.9 31.3 -69.6 -21.7 -28.0 18.1 -15.1 46 46 A F T X4 S+ 0 0 0 -3,-1.6 3,-2.2 -6,-0.4 -2,-0.2 0.476 81.1 127.2-114.2 -11.8 -30.5 21.0 -15.2 47 47 A K T 3< S+ 0 0 130 -4,-2.0 -6,-0.1 1,-0.3 3,-0.1 -0.286 83.8 8.3 -51.0 122.6 -29.2 23.2 -18.1 48 48 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -2,-0.0 2,-0.2 0.272 101.3 118.7 90.7 -14.5 -32.0 23.9 -20.5 49 49 A K < - 0 0 107 -3,-2.2 -1,-0.3 -9,-0.1 2,-0.1 -0.581 62.3-123.3 -87.1 150.5 -34.8 22.4 -18.4 50 50 A S > - 0 0 58 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.385 33.9-103.4 -76.7 172.0 -37.8 24.2 -17.1 51 51 A V H > S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.871 121.1 60.3 -65.9 -27.3 -38.5 24.2 -13.4 52 52 A A H > S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.932 106.0 46.3 -66.6 -42.4 -41.2 21.6 -13.9 53 53 A D H > S+ 0 0 93 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.897 112.7 50.7 -66.8 -35.1 -38.7 19.2 -15.3 54 54 A I H >< S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 6,-0.3 0.957 104.7 56.9 -68.2 -42.7 -36.3 19.9 -12.5 55 55 A K H 3< S+ 0 0 114 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.838 112.6 42.3 -56.2 -27.7 -39.0 19.3 -9.9 56 56 A A H 3< S+ 0 0 84 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.506 91.9 106.3-100.2 -1.3 -39.5 15.8 -11.3 57 57 A S X< - 0 0 21 -3,-1.5 3,-1.6 -4,-0.7 4,-0.4 -0.555 65.2-143.1 -80.5 141.0 -35.9 15.0 -11.8 58 58 A P T >> S+ 0 0 106 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.885 100.3 69.9 -69.4 -16.8 -34.2 12.5 -9.5 59 59 A K H 3> S+ 0 0 91 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.706 80.4 76.3 -73.1 -14.3 -31.1 14.7 -9.8 60 60 A L H <> S+ 0 0 9 -3,-1.6 4,-2.6 -6,-0.3 -1,-0.3 0.948 96.1 46.2 -57.8 -49.5 -32.9 17.3 -7.8 61 61 A R H <> S+ 0 0 97 -3,-0.9 4,-2.2 -4,-0.4 5,-0.2 0.816 108.1 56.6 -63.3 -42.0 -32.3 15.3 -4.6 62 62 A D H X S+ 0 0 82 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.937 114.7 36.8 -55.7 -53.8 -28.6 14.7 -5.4 63 63 A H H X S+ 0 0 43 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.884 117.1 51.2 -69.2 -41.3 -27.8 18.3 -5.7 64 64 A S H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.881 109.7 49.1 -66.9 -35.7 -30.0 19.6 -2.9 65 65 A S H X S+ 0 0 38 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 109.8 53.0 -73.2 -35.6 -28.7 17.1 -0.4 66 66 A T H X S+ 0 0 96 -4,-1.4 4,-1.9 -5,-0.2 5,-0.2 0.907 110.2 47.6 -60.1 -47.2 -25.1 18.0 -1.3 67 67 A I H X S+ 0 0 49 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.952 113.9 45.9 -56.3 -51.1 -25.9 21.7 -0.7 68 68 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.877 109.3 56.2 -67.8 -31.8 -27.6 21.0 2.7 69 69 A T H X S+ 0 0 62 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.935 113.6 39.0 -65.7 -40.4 -24.8 18.7 3.9 70 70 A R H X S+ 0 0 48 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.881 112.8 55.3 -82.1 -29.7 -22.2 21.4 3.3 71 71 A L H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.924 105.9 53.8 -62.5 -44.0 -24.4 24.2 4.6 72 72 A N H X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.879 107.0 51.3 -53.6 -43.1 -24.8 22.2 7.8 73 73 A E H X S+ 0 0 85 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.906 109.3 50.4 -62.6 -41.7 -21.0 21.9 8.1 74 74 A F H < S+ 0 0 2 -4,-2.2 3,-0.3 1,-0.2 4,-0.2 0.910 111.3 49.1 -60.8 -44.1 -20.7 25.7 7.7 75 75 A V H >< S+ 0 0 5 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.926 111.4 46.6 -63.8 -46.9 -23.3 26.3 10.4 76 76 A N H 3< S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.662 121.5 37.5 -77.7 -12.6 -21.9 24.0 12.9 77 77 A N T >< S+ 0 0 48 -4,-1.0 3,-1.8 -3,-0.3 7,-0.3 0.245 82.7 114.4-109.7 13.9 -18.3 25.4 12.4 78 78 A A T < S+ 0 0 2 -3,-1.1 -76,-2.7 1,-0.3 -1,-0.1 0.692 74.2 48.4 -62.4 -32.5 -19.2 29.0 11.9 79 79 A A T 3 S+ 0 0 54 -78,-0.2 2,-0.9 -4,-0.2 -1,-0.3 0.315 89.7 92.3 -88.2 6.4 -17.6 30.5 15.0 80 80 A N <> - 0 0 85 -3,-1.8 4,-3.6 1,-0.2 5,-0.3 -0.805 59.0-168.1-102.9 98.3 -14.3 28.7 14.3 81 81 A A H > S+ 0 0 55 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.863 83.0 46.6 -61.7 -34.0 -12.3 31.2 12.3 82 82 A G H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 116.7 43.4 -76.5 -39.2 -9.6 28.8 11.3 83 83 A K H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.960 116.0 49.5 -67.7 -43.1 -11.9 26.0 10.2 84 84 A M H X S+ 0 0 0 -4,-3.6 4,-2.6 -7,-0.3 5,-0.3 0.898 107.2 55.1 -59.1 -42.0 -14.2 28.6 8.5 85 85 A S H X S+ 0 0 77 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.900 112.1 42.1 -61.3 -44.0 -11.3 30.1 6.7 86 86 A A H X S+ 0 0 59 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.864 113.8 52.0 -70.6 -39.0 -10.3 26.8 5.2 87 87 A M H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.934 110.3 49.0 -63.8 -39.5 -13.9 25.8 4.4 88 88 A L H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.856 110.5 47.5 -69.9 -40.4 -14.6 29.0 2.6 89 89 A S H X S+ 0 0 55 -4,-1.4 4,-2.1 -5,-0.3 5,-0.2 0.948 113.9 49.9 -78.5 -26.6 -11.5 28.9 0.5 90 90 A Q H X S+ 0 0 104 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.924 114.7 46.7 -48.5 -60.8 -12.3 25.1 -0.4 91 91 A F H X S+ 0 0 20 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.860 110.8 48.3 -60.9 -45.0 -15.7 26.2 -1.3 92 92 A A H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.915 112.2 50.0 -64.1 -44.1 -14.8 29.2 -3.4 93 93 A K H X S+ 0 0 147 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.961 111.0 49.1 -63.1 -45.3 -12.3 27.1 -5.4 94 94 A E H X S+ 0 0 62 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.931 114.7 44.5 -55.7 -47.0 -14.7 24.4 -6.1 95 95 A H H ><>S+ 0 0 41 -4,-2.3 5,-2.4 2,-0.2 3,-1.6 0.904 109.7 52.5 -71.4 -41.0 -17.4 26.9 -7.2 96 96 A V H ><5S+ 0 0 53 -4,-2.8 3,-2.3 1,-0.3 -1,-0.2 0.906 103.3 63.1 -58.6 -34.7 -15.1 29.0 -9.4 97 97 A G H 3<5S+ 0 0 66 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.755 104.9 45.6 -58.7 -24.9 -14.2 25.6 -11.0 98 98 A F T <<5S- 0 0 138 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.242 123.0-103.6-102.1 11.0 -17.8 25.3 -12.1 99 99 A G T < 5S+ 0 0 53 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.603 74.6 142.3 80.0 13.0 -18.1 28.9 -13.4 100 100 A V < - 0 0 17 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.747 26.9-176.3 -92.2 135.5 -20.1 30.1 -10.4 101 101 A G >> - 0 0 7 -2,-0.4 3,-0.8 45,-0.1 4,-0.7 -0.626 42.9 -84.2-118.2-169.7 -19.3 33.5 -9.2 102 102 A S H >> S+ 0 0 12 44,-0.9 4,-1.9 1,-0.2 3,-0.8 0.805 116.5 68.0 -63.6 -32.5 -20.3 35.9 -6.4 103 103 A A H 3> S+ 0 0 49 43,-0.4 4,-1.5 1,-0.3 -1,-0.2 0.873 97.2 53.6 -59.3 -39.9 -23.4 37.2 -8.2 104 104 A Q H <> S+ 0 0 34 -3,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.800 108.6 49.1 -63.8 -33.7 -25.0 33.8 -7.8 105 105 A F H X S+ 0 0 13 -4,-1.4 4,-2.1 1,-0.2 3,-0.6 0.956 110.2 54.0 -57.2 -45.8 -28.9 33.1 -2.5 109 109 A R H 3< S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 104.4 55.2 -57.2 -38.7 -28.3 35.7 0.2 110 110 A S H 3< S+ 0 0 81 -4,-1.9 4,-0.3 1,-0.2 -1,-0.3 0.872 119.3 29.5 -70.1 -29.5 -31.3 37.7 -0.8 111 111 A M H S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.930 112.9 48.7 -58.7 -39.1 -33.5 34.4 5.4 114 114 A G H > S+ 0 0 51 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.882 110.5 52.1 -72.5 -29.1 -37.0 34.4 4.0 115 115 A F H X S+ 0 0 21 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.947 111.0 46.3 -68.6 -46.0 -36.7 30.7 3.1 116 116 A V H >X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 3,-1.1 0.941 111.3 51.9 -60.5 -47.6 -35.6 29.8 6.6 117 117 A A H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 101.9 60.4 -64.3 -27.2 -38.3 31.8 8.2 118 118 A S H 3< S+ 0 0 93 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.753 106.8 46.8 -74.8 -15.6 -41.0 30.1 6.1 119 119 A V H << S- 0 0 49 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.882 137.7 -15.5 -84.3 -45.1 -39.9 26.7 7.6 120 120 A A S < S- 0 0 34 -4,-2.0 -1,-0.3 -107,-0.1 -103,-0.1 -0.927 74.8-101.3-159.4 134.9 -39.9 28.2 11.2 121 121 A A - 0 0 96 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.1 -0.392 47.7-143.1 -56.6 124.5 -39.9 31.6 12.7 122 122 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.505 21.0 -89.7 -89.3 164.6 -36.3 32.2 13.7 123 123 A P > - 0 0 47 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.347 60.0 -84.0 -64.8 157.9 -35.0 34.0 16.8 124 124 A A T 3 S+ 0 0 96 1,-0.3 -3,-0.0 2,-0.1 -115,-0.0 -0.279 117.5 30.5 -65.9 137.9 -34.5 37.7 16.2 125 125 A G T 3> S+ 0 0 38 -3,-0.1 4,-1.6 -116,-0.0 3,-0.5 0.207 85.0 111.4 97.4 -19.1 -31.1 38.5 14.7 126 126 A A H <> S+ 0 0 1 -3,-2.1 4,-2.2 1,-0.2 5,-0.2 0.900 73.1 55.2 -61.4 -38.6 -31.0 35.2 12.8 127 127 A D H > S+ 0 0 85 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.803 106.1 50.2 -61.8 -40.9 -31.4 36.9 9.4 128 128 A A H > S+ 0 0 61 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.834 109.4 52.8 -64.7 -35.0 -28.4 39.2 9.9 129 129 A A H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.919 111.9 44.9 -63.1 -44.5 -26.3 36.1 10.9 130 130 A W H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.917 111.4 53.6 -63.0 -39.4 -27.3 34.4 7.7 131 131 A T H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 110.2 47.0 -60.3 -41.7 -26.6 37.5 5.7 132 132 A K H X S+ 0 0 80 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.898 108.3 54.8 -68.8 -40.0 -23.2 37.7 7.1 133 133 A L H X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.932 111.7 44.4 -59.9 -44.7 -22.5 34.0 6.5 134 134 A F H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.863 108.0 58.6 -68.0 -37.5 -23.3 34.4 2.8 135 135 A G H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.862 104.6 51.5 -59.0 -34.5 -21.3 37.7 2.7 136 136 A L H X S+ 0 0 32 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.882 111.5 47.4 -64.8 -37.6 -18.3 35.6 3.8 137 137 A I H X S+ 0 0 2 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.943 111.2 50.5 -69.6 -44.7 -19.0 33.2 1.0 138 138 A I H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 3,-0.2 0.937 110.5 50.1 -59.0 -45.8 -19.4 36.0 -1.5 139 139 A D H X S+ 0 0 97 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.902 108.2 51.8 -56.7 -46.7 -16.1 37.5 -0.4 140 140 A A H X S+ 0 0 19 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.840 109.6 50.6 -61.2 -35.0 -14.2 34.2 -0.7 141 141 A L H <>S+ 0 0 0 -4,-1.8 5,-1.5 -3,-0.2 4,-0.3 0.899 110.8 47.7 -68.2 -46.8 -15.5 33.9 -4.3 142 142 A K H ><5S+ 0 0 110 -4,-2.3 3,-2.0 4,-0.4 -2,-0.2 0.961 110.9 52.4 -58.2 -46.0 -14.4 37.4 -5.2 143 143 A A H 3<5S+ 0 0 91 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.1 51.0 -58.7 -34.2 -11.1 36.6 -3.6 144 144 A A T 3<5S- 0 0 42 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.386 134.7 -77.0 -87.8 8.2 -10.9 33.5 -5.8 145 145 A G T < 5 0 0 66 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 -0.066 360.0 360.0 133.1 -40.8 -11.7 35.3 -9.1 146 146 A K < 0 0 61 -5,-1.5 -44,-0.9 -46,-0.1 -4,-0.4 0.506 360.0 360.0-149.7 360.0 -15.3 36.2 -9.6