==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT PROTEIN 10-MAR-09 3GK9 . COMPND 2 MOLECULE: NEUROGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.MOSCHETTI,U.MUELLER,J.SCHULTZE,M.BRUNORI,B.VALLONE . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 81.1 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 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 60.1 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 1 0 0 0 0 0 0 0 0 1 0 1 0 2 0 2 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 3 A R > 0 0 143 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 116.3 4.8 34.7 24.7 2 4 A P H > + 0 0 109 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.845 360.0 61.1 -63.7 -33.5 6.8 34.5 21.4 3 5 A E H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.900 101.2 54.7 -54.6 -45.6 5.6 30.8 21.0 4 6 A S H > S+ 0 0 0 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.816 105.7 50.5 -60.9 -36.3 2.0 32.0 20.9 5 7 A E H X S+ 0 0 100 -4,-1.0 4,-2.6 -3,-0.3 -1,-0.2 0.842 107.2 53.6 -73.4 -33.9 2.6 34.5 18.1 6 8 A L H X S+ 0 0 61 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.902 112.3 45.6 -65.7 -40.0 4.3 31.9 15.9 7 9 A I H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.955 113.2 49.4 -65.2 -50.8 1.3 29.7 16.4 8 10 A R H X S+ 0 0 76 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.903 113.5 46.2 -54.3 -44.5 -1.2 32.6 15.7 9 11 A Q H X S+ 0 0 103 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.873 114.8 45.0 -72.3 -38.7 0.7 33.6 12.5 10 12 A S H X S+ 0 0 8 -4,-1.9 4,-1.4 -5,-0.2 3,-0.3 0.859 110.2 55.5 -72.1 -34.7 1.0 30.1 11.0 11 13 A W H X S+ 0 0 10 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.828 96.7 64.9 -67.7 -31.4 -2.6 29.3 11.8 12 14 A R H < S+ 0 0 78 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.2 0.901 103.4 48.2 -54.8 -43.6 -3.9 32.3 9.9 13 15 A V H >< S+ 0 0 53 -4,-0.8 3,-0.6 -3,-0.3 4,-0.3 0.923 117.8 39.5 -60.7 -50.2 -2.5 30.7 6.7 14 16 A V H >< S+ 0 0 0 -4,-1.4 3,-1.9 1,-0.2 7,-0.3 0.884 106.1 63.5 -68.9 -41.8 -4.1 27.3 7.4 15 17 A S T 3< S+ 0 0 47 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.576 88.1 72.0 -70.4 -10.1 -7.4 28.6 8.8 16 18 A R T < S+ 0 0 182 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.752 115.3 21.3 -73.0 -29.6 -8.2 30.2 5.4 17 19 A S S <> S+ 0 0 30 -3,-1.9 4,-2.4 -4,-0.3 -1,-0.3 -0.523 76.5 162.6-136.4 70.0 -8.9 26.7 3.9 18 20 A P H > S+ 0 0 39 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.840 73.3 47.7 -64.3 -38.9 -9.5 24.4 6.8 19 21 A L H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 112.2 50.3 -69.9 -41.2 -11.2 21.5 5.1 20 22 A E H > S+ 0 0 143 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.935 116.4 42.5 -59.8 -44.9 -8.4 21.4 2.4 21 23 A H H X S+ 0 0 23 -4,-2.4 4,-1.9 -7,-0.3 -2,-0.2 0.924 113.1 50.6 -68.6 -43.8 -5.8 21.4 5.1 22 24 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.805 104.2 60.9 -63.4 -30.3 -7.6 18.9 7.4 23 25 A T H X S+ 0 0 39 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.918 104.4 48.2 -61.4 -45.0 -8.0 16.6 4.3 24 26 A V H X S+ 0 0 56 -4,-1.4 4,-2.7 -3,-0.2 5,-0.2 0.935 110.3 52.8 -58.8 -46.1 -4.1 16.5 4.1 25 27 A L H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.952 114.1 40.6 -55.8 -50.8 -4.0 15.7 7.9 26 28 A F H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.855 112.4 54.4 -72.0 -33.3 -6.4 12.8 7.6 27 29 A A H X S+ 0 0 50 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.951 112.5 44.9 -62.5 -45.7 -4.9 11.4 4.4 28 30 A R H X S+ 0 0 93 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.905 110.4 55.7 -62.6 -44.0 -1.6 11.4 6.1 29 31 A L H X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.920 109.9 43.7 -54.0 -49.7 -3.1 9.8 9.2 30 32 A F H < S+ 0 0 6 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.784 110.3 56.5 -70.3 -27.5 -4.6 6.8 7.4 31 33 A A H < S+ 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 116.7 36.2 -68.4 -36.7 -1.4 6.4 5.4 32 34 A L H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 134.6 21.5 -80.0 -38.9 0.5 6.1 8.7 33 35 A E >< + 0 0 36 -4,-2.9 3,-1.9 -5,-0.2 4,-0.3 -0.674 62.4 173.7-136.7 75.6 -2.1 4.2 10.7 34 36 A P G > S+ 0 0 89 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.765 73.2 74.7 -52.3 -29.1 -4.6 2.4 8.4 35 37 A S G 3 S+ 0 0 89 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.560 83.1 68.6 -69.4 -8.4 -6.2 0.6 11.5 36 38 A L G X S+ 0 0 13 -3,-1.9 3,-1.5 1,-0.2 4,-0.4 0.702 78.9 82.4 -77.0 -22.1 -7.9 4.0 12.4 37 39 A L G X S+ 0 0 14 -3,-1.9 3,-1.5 -4,-0.3 10,-0.4 0.888 84.5 54.0 -53.4 -47.6 -10.2 3.8 9.3 38 40 A P G 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.650 90.4 77.8 -63.6 -15.3 -12.9 1.5 10.9 39 41 A L G < S+ 0 0 52 -3,-1.5 2,-1.2 1,-0.2 -2,-0.2 0.735 78.6 75.0 -69.2 -18.8 -13.4 3.8 13.8 40 42 A F < + 0 0 28 -3,-1.5 2,-0.9 -4,-0.4 7,-0.4 -0.694 63.5 171.1 -93.7 87.9 -15.5 6.2 11.7 41 43 A Q > + 0 0 109 -2,-1.2 3,-1.2 5,-0.1 2,-0.3 -0.523 3.4 175.6-105.9 71.2 -18.8 4.2 11.5 42 44 A Y G > S+ 0 0 59 -2,-0.9 3,-1.2 1,-0.3 -2,-0.0 -0.532 73.1 2.7 -80.1 135.6 -21.4 6.4 9.9 43 45 A N G 3 S- 0 0 138 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.811 129.0 -67.7 57.7 35.0 -24.8 4.8 9.2 44 46 A G G < S+ 0 0 78 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.665 110.6 112.9 63.4 20.9 -23.5 1.6 10.8 45 47 A R < - 0 0 131 -3,-1.2 2,-0.4 -5,-0.0 -1,-0.2 -0.887 58.6-135.5-121.2 149.7 -21.0 1.0 8.0 46 48 A Q - 0 0 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.840 25.0-112.8-104.1 148.3 -17.2 1.0 7.8 47 49 A F - 0 0 32 -10,-0.4 -7,-0.1 -7,-0.4 -8,-0.0 -0.580 18.0-156.9 -73.9 134.6 -15.1 2.6 5.1 48 50 A S S S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.2 -11,-0.1 0.923 74.6 14.5 -75.6 -45.6 -13.2 0.1 3.0 49 51 A S S >> S- 0 0 44 1,-0.1 4,-1.0 -12,-0.1 3,-0.9 -0.882 79.3-109.3-129.8 156.9 -10.4 2.5 1.8 50 52 A P H >> S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.901 117.4 59.3 -55.2 -38.1 -9.2 5.9 2.8 51 53 A E H 34 S+ 0 0 127 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.833 97.5 61.4 -61.6 -29.3 -10.6 7.4 -0.4 52 54 A D H X4 S+ 0 0 58 -3,-0.9 3,-1.4 1,-0.2 4,-0.3 0.876 98.3 57.3 -58.4 -38.4 -14.1 6.2 0.7 53 55 A S H X< S+ 0 0 2 -4,-1.0 3,-1.6 -3,-0.9 7,-0.2 0.883 99.2 59.3 -63.6 -36.3 -13.8 8.4 3.8 54 56 A L T 3< S+ 0 0 70 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.624 100.8 55.7 -68.1 -12.9 -13.3 11.5 1.6 55 57 A S T < S+ 0 0 96 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.489 87.9 96.5 -95.3 -3.7 -16.7 10.9 -0.1 56 58 A S <> - 0 0 10 -3,-1.6 4,-2.5 -4,-0.3 5,-0.2 -0.756 60.3-157.2 -94.0 119.7 -18.5 10.9 3.2 57 59 A P H > S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.899 97.6 52.9 -61.3 -36.4 -20.2 14.2 4.3 58 60 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.900 109.7 47.9 -62.2 -42.5 -20.1 13.0 8.0 59 61 A F H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 112.1 48.5 -66.8 -42.7 -16.4 12.3 7.7 60 62 A L H X S+ 0 0 43 -4,-2.5 4,-2.1 -7,-0.2 -2,-0.2 0.894 108.2 55.4 -62.9 -38.5 -15.7 15.7 6.1 61 63 A D H X S+ 0 0 84 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 104.6 54.3 -59.0 -39.5 -17.8 17.3 8.9 62 64 A H H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.859 104.3 53.8 -64.7 -35.8 -15.5 15.6 11.4 63 65 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.948 108.7 49.8 -59.2 -45.7 -12.5 17.2 9.6 64 66 A R H X S+ 0 0 126 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.888 109.8 51.0 -59.3 -39.5 -14.2 20.6 10.2 65 67 A K H X S+ 0 0 124 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 109.2 50.5 -63.9 -43.8 -14.7 19.7 13.9 66 68 A V H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 111.1 48.0 -57.8 -47.6 -11.1 18.9 14.2 67 69 A M H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.844 110.3 53.5 -68.4 -31.0 -10.0 22.2 12.6 68 70 A L H X S+ 0 0 122 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.873 107.5 49.6 -68.1 -38.2 -12.5 24.0 14.9 69 71 A V H X S+ 0 0 29 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 111.5 48.9 -68.0 -44.4 -11.0 22.4 18.1 70 72 A I H X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.936 109.1 53.9 -55.5 -47.0 -7.5 23.4 16.9 71 73 A D H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.871 107.4 50.6 -54.4 -40.8 -8.8 27.0 16.2 72 74 A A H X S+ 0 0 31 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.878 109.4 51.5 -62.7 -41.1 -10.1 27.1 19.8 73 75 A A H < S+ 0 0 4 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.907 110.0 48.2 -63.1 -42.2 -6.6 26.0 21.0 74 76 A V H >< S+ 0 0 8 -4,-2.4 3,-1.3 1,-0.2 4,-0.2 0.891 110.3 52.2 -64.6 -42.5 -5.0 28.8 19.0 75 77 A T H 3< S+ 0 0 92 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.880 118.9 37.1 -59.1 -38.7 -7.5 31.3 20.4 76 78 A N T >< S+ 0 0 46 -4,-1.9 3,-1.0 1,-0.2 -1,-0.3 -0.036 78.2 125.8-104.3 28.8 -6.6 30.1 23.9 77 79 A V T < S+ 0 0 4 -3,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.889 72.4 52.9 -56.8 -44.3 -2.8 29.5 23.4 78 80 A E T 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.724 129.5 13.4 -65.7 -23.5 -1.8 31.8 26.3 79 81 A D X - 0 0 89 -3,-1.0 3,-0.6 -6,-0.2 -1,-0.3 -0.695 55.2-177.8-160.3 105.2 -4.1 29.8 28.6 80 82 A L T 3> + 0 0 37 -3,-0.3 4,-0.8 1,-0.2 3,-0.1 0.077 62.4 101.4 -88.3 22.8 -5.7 26.5 27.8 81 83 A S H >> S+ 0 0 82 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.895 75.0 58.1 -77.5 -41.1 -7.6 26.4 31.2 82 84 A S H <4 S+ 0 0 80 -3,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.758 114.5 41.6 -52.3 -25.6 -10.8 27.5 29.6 83 85 A L H 3> S+ 0 0 23 -7,-0.1 4,-3.1 -3,-0.1 5,-0.3 0.588 87.2 90.6-103.1 -14.3 -10.4 24.4 27.4 84 86 A E H S+ 0 0 119 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.941 113.6 49.0 -58.3 -49.6 -14.0 20.4 27.3 87 89 A L H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.888 107.2 55.3 -62.0 -39.2 -10.8 18.6 26.1 88 90 A T H X S+ 0 0 11 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.928 111.0 43.9 -57.6 -44.5 -11.1 16.0 28.9 89 91 A S H X S+ 0 0 59 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.861 109.4 57.5 -69.7 -33.6 -14.6 15.1 27.8 90 92 A L H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.904 107.7 48.3 -60.6 -40.9 -13.4 15.1 24.2 91 93 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.929 109.7 51.5 -61.8 -47.6 -10.9 12.5 25.2 92 94 A R H X S+ 0 0 125 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.894 109.2 51.5 -53.7 -43.3 -13.6 10.5 27.0 93 95 A K H X S+ 0 0 131 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.909 111.1 46.5 -62.4 -45.7 -15.7 10.6 23.8 94 96 A H H X>S+ 0 0 31 -4,-2.1 5,-2.8 2,-0.2 4,-0.7 0.836 108.5 55.4 -70.7 -30.3 -12.8 9.3 21.7 95 97 A R H ><5S+ 0 0 102 -4,-2.5 3,-0.8 3,-0.2 -1,-0.2 0.941 109.2 49.0 -60.5 -45.1 -12.1 6.6 24.2 96 98 A A H 3<5S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.837 107.0 53.5 -64.8 -36.8 -15.8 5.5 23.8 97 99 A V H 3<5S- 0 0 62 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.635 126.9 -99.7 -76.0 -12.0 -15.6 5.5 20.0 98 100 A G T <<5 + 0 0 38 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.505 69.9 148.1 109.7 7.6 -12.5 3.2 20.3 99 101 A V < - 0 0 19 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.3 -0.608 41.5-135.7 -77.4 129.4 -9.5 5.5 19.8 100 102 A R > - 0 0 193 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.667 15.2-127.6 -79.9 137.7 -6.4 4.4 21.7 101 103 A L T > S+ 0 0 62 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.888 109.4 66.1 -55.0 -38.2 -4.6 7.2 23.5 102 104 A S T >> S+ 0 0 90 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.784 89.2 65.7 -47.5 -36.2 -1.4 6.0 21.7 103 105 A S H <> S+ 0 0 6 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.725 82.4 74.7 -67.6 -18.3 -3.0 7.0 18.4 104 106 A F H <> S+ 0 0 23 -3,-1.9 4,-2.1 -4,-0.5 -1,-0.2 0.775 88.0 62.4 -68.6 -19.7 -2.9 10.7 19.3 105 107 A S H <> S+ 0 0 79 -3,-1.3 4,-2.2 -4,-0.4 -1,-0.2 0.960 105.7 44.7 -63.9 -45.8 0.9 10.5 18.7 106 108 A T H X S+ 0 0 27 -4,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.867 110.2 55.1 -66.1 -37.2 0.3 9.7 15.0 107 109 A V H X S+ 0 0 27 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.921 107.4 51.5 -58.0 -43.2 -2.4 12.4 14.9 108 110 A G H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.937 109.2 47.9 -60.1 -45.9 0.4 14.8 16.1 109 111 A E H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.874 110.9 52.4 -63.7 -37.5 2.8 13.7 13.4 110 112 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.908 108.6 50.4 -65.0 -40.9 -0.1 14.2 10.8 111 113 A L H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.953 112.2 46.6 -56.3 -53.0 -0.7 17.7 12.1 112 114 A L H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.863 110.9 53.3 -61.5 -35.8 3.0 18.6 11.9 113 115 A Y H X S+ 0 0 68 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.948 108.7 48.6 -61.3 -49.2 3.1 17.0 8.4 114 116 A M H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.913 114.1 47.2 -57.2 -45.0 0.1 19.2 7.3 115 117 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.942 111.4 49.4 -65.8 -45.6 1.8 22.3 8.7 116 118 A E H X S+ 0 0 74 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.908 114.1 46.8 -57.5 -45.3 5.2 21.5 7.1 117 119 A K H < S+ 0 0 140 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.2 41.6 -68.6 -39.0 3.5 20.9 3.7 118 120 A S H < S+ 0 0 45 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.915 122.2 37.0 -71.0 -45.1 1.4 24.1 3.8 119 121 A L H >< S+ 0 0 11 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.735 78.3 177.0 -87.9 -24.3 4.0 26.5 5.2 120 122 A G G >< S+ 0 0 38 -4,-2.0 3,-2.3 -5,-0.3 -1,-0.2 -0.359 75.6 6.9 56.2-125.8 7.1 25.3 3.5 121 123 A P G 3 S+ 0 0 122 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.773 126.5 66.2 -58.0 -29.5 10.1 27.6 4.4 122 124 A D G < S+ 0 0 115 -3,-1.9 2,-1.6 1,-0.2 -2,-0.2 0.531 76.0 89.3 -72.2 -5.9 7.9 29.4 7.0 123 125 A F S < S+ 0 0 23 -3,-2.3 -1,-0.2 -7,-0.2 -3,-0.1 -0.553 70.5 178.8 -89.9 73.0 7.7 26.2 9.0 124 126 A T > - 0 0 55 -2,-1.6 4,-2.6 1,-0.1 5,-0.2 -0.169 45.6-101.9 -70.9 161.0 10.8 27.1 11.0 125 127 A P H > S+ 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.876 126.0 51.2 -44.7 -44.8 12.3 25.1 13.8 126 128 A A H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.876 109.7 49.4 -64.5 -37.3 10.7 27.6 16.3 127 129 A T H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 111.0 49.1 -68.3 -48.4 7.3 27.1 14.6 128 130 A R H X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 112.7 48.0 -54.2 -48.6 7.5 23.3 14.7 129 131 A T H X S+ 0 0 82 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.901 110.2 51.8 -61.4 -42.0 8.5 23.4 18.4 130 132 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.943 112.9 44.6 -60.4 -51.1 5.7 25.8 19.3 131 133 A W H X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.863 110.2 54.8 -61.6 -40.4 3.1 23.5 17.6 132 134 A S H X S+ 0 0 64 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.838 111.4 45.9 -63.0 -35.2 4.5 20.4 19.2 133 135 A R H X S+ 0 0 138 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.905 113.7 47.2 -72.0 -43.2 4.1 22.0 22.6 134 136 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 114.6 46.8 -64.8 -49.4 0.6 23.3 21.9 135 137 A Y H X S+ 0 0 43 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.912 110.6 53.2 -57.1 -45.5 -0.5 19.8 20.6 136 138 A G H X S+ 0 0 37 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.894 108.4 49.8 -54.2 -42.9 1.2 18.2 23.6 137 139 A A H X S+ 0 0 39 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 110.6 50.3 -65.2 -42.5 -0.8 20.4 25.9 138 140 A V H X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.940 111.9 46.5 -59.3 -50.0 -4.0 19.5 24.1 139 141 A V H X S+ 0 0 26 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.855 106.8 59.2 -63.0 -35.7 -3.3 15.8 24.3 140 142 A Q H X S+ 0 0 106 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.944 110.3 42.5 -56.7 -49.7 -2.4 16.1 28.0 141 143 A A H >< S+ 0 0 16 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.959 115.5 48.8 -62.5 -52.4 -5.9 17.5 28.7 142 144 A M H >< S+ 0 0 11 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.862 101.0 65.2 -54.1 -37.1 -7.6 14.9 26.4 143 145 A S H ><>S+ 0 0 31 -4,-2.7 3,-1.8 1,-0.3 5,-0.5 0.755 85.0 72.9 -63.5 -24.1 -5.7 12.0 28.1 144 146 A R T <<5S+ 0 0 78 -3,-1.3 -1,-0.3 -4,-0.7 3,-0.3 0.742 87.3 66.4 -57.4 -24.2 -7.5 12.7 31.3 145 147 A G T < 5S+ 0 0 1 -3,-2.3 2,-0.6 -4,-0.3 -1,-0.3 0.581 77.8 82.1 -74.9 -13.0 -10.5 11.2 29.6 146 148 A W T < 5S- 0 0 45 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 -0.264 127.8 -78.7 -91.7 47.3 -8.9 7.8 29.4 147 149 A D T 5 0 0 136 -2,-0.6 -2,-0.2 1,-0.3 -3,-0.1 0.407 360.0 360.0 83.8 -0.7 -9.9 7.0 33.0 148 150 A G < 0 0 78 -5,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 -0.281 360.0 360.0 161.6 360.0 -7.1 9.1 34.5