==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 05-OCT-04 1W92 . COMPND 2 MOLECULE: NEUROGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.VALLONE,K.NIENHAUS,A.MATTHES,M.BRUNORI,G.U.NIENHAUS . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 79.5 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 . 2 1.4 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 . 1 0.7 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 . 1 0.7 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 . 23 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 0 1 1 0 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 . 1 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 85 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 133.9 26.2 29.9 43.1 2 4 A P > + 0 0 114 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.637 360.0 61.6 -86.3 -19.1 26.5 27.6 40.1 3 5 A E H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.538 82.8 82.6 -84.0 -9.9 24.1 29.9 38.2 4 6 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 92.8 46.7 -60.6 -43.1 26.8 32.5 38.6 5 7 A E H > S+ 0 0 97 -3,-0.5 4,-2.8 -4,-0.3 5,-0.3 0.851 107.9 55.7 -71.9 -29.7 28.5 31.0 35.6 6 8 A L H X S+ 0 0 52 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.892 111.6 44.6 -64.4 -38.8 25.2 30.9 33.7 7 9 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.965 115.6 46.5 -69.2 -47.2 24.9 34.6 34.3 8 10 A R H X S+ 0 0 74 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.906 114.6 46.3 -60.9 -45.1 28.5 35.4 33.4 9 11 A Q H X S+ 0 0 111 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.910 114.8 46.7 -65.5 -42.0 28.5 33.3 30.3 10 12 A S H X S+ 0 0 8 -4,-2.0 4,-0.8 -5,-0.3 3,-0.3 0.815 109.1 55.4 -72.4 -24.8 25.2 34.7 29.0 11 13 A W H X S+ 0 0 8 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.775 90.5 73.7 -79.8 -22.8 26.3 38.3 29.7 12 14 A R H X S+ 0 0 165 -4,-1.2 4,-1.1 -3,-0.3 -1,-0.2 0.909 94.2 52.8 -58.6 -42.9 29.5 38.1 27.6 13 15 A V H >< S+ 0 0 58 -4,-0.6 3,-0.7 -3,-0.3 4,-0.3 0.968 117.4 36.5 -50.0 -57.6 27.4 38.2 24.4 14 16 A V H >< S+ 0 0 0 -4,-0.8 3,-1.5 1,-0.2 7,-0.3 0.857 107.9 64.4 -69.9 -36.3 25.6 41.4 25.4 15 17 A S H 3< S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.759 91.9 64.6 -67.0 -21.1 28.5 43.1 27.2 16 18 A R T << S+ 0 0 203 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.684 118.2 24.1 -74.0 -19.2 30.5 43.4 24.0 17 19 A S S <> S+ 0 0 14 -3,-1.5 4,-2.0 -4,-0.3 -1,-0.3 -0.513 73.4 166.0-145.0 71.7 27.9 45.7 22.5 18 20 A P H > S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.819 73.0 51.7 -66.4 -33.3 26.1 47.3 25.4 19 21 A L H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 109.7 48.3 -74.2 -41.1 24.3 50.1 23.5 20 22 A E H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 117.9 41.9 -60.1 -46.1 22.8 47.8 20.8 21 23 A H H X S+ 0 0 26 -4,-2.0 4,-1.8 -7,-0.3 -1,-0.2 0.898 113.3 51.2 -67.6 -41.4 21.5 45.5 23.5 22 24 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.848 104.7 60.3 -62.0 -33.2 20.4 48.2 25.8 23 25 A T H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.919 103.8 49.2 -61.2 -43.7 18.5 49.7 22.8 24 26 A V H X S+ 0 0 51 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.931 110.2 51.6 -60.5 -47.1 16.5 46.5 22.6 25 27 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.961 114.6 40.9 -56.7 -48.5 15.7 46.6 26.3 26 28 A F H X S+ 0 0 9 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.848 112.6 54.8 -72.4 -33.4 14.4 50.2 26.2 27 29 A A H X S+ 0 0 46 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.931 112.3 45.1 -60.7 -43.8 12.6 49.7 22.9 28 30 A R H X S+ 0 0 92 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.919 110.1 54.6 -64.5 -43.2 10.8 46.8 24.5 29 31 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 110.7 44.5 -57.8 -44.3 10.1 48.8 27.7 30 32 A F H < S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.766 110.6 54.7 -74.2 -25.0 8.4 51.6 25.7 31 33 A A H < S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.841 116.5 38.3 -71.4 -37.2 6.4 49.2 23.6 32 34 A L H < S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.827 136.0 16.7 -80.1 -34.0 5.1 47.6 26.8 33 35 A E >< + 0 0 30 -4,-2.5 3,-2.1 -5,-0.2 4,-0.3 -0.581 59.7 171.7-144.2 79.7 4.7 50.8 28.8 34 36 A P G > S+ 0 0 82 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.793 73.0 78.1 -66.8 -14.9 4.7 54.0 26.8 35 37 A S G 3 S+ 0 0 73 1,-0.3 4,-0.1 2,-0.2 -5,-0.1 0.622 84.1 64.4 -69.7 -8.6 3.7 56.0 29.9 36 38 A L G X S+ 0 0 12 -3,-2.1 3,-1.8 1,-0.2 4,-0.4 0.668 79.6 85.9 -85.6 -13.0 7.3 55.7 31.0 37 39 A L G X S+ 0 0 10 -3,-2.0 3,-1.6 -4,-0.3 10,-0.4 0.909 81.9 56.4 -57.4 -43.4 8.4 57.8 28.0 38 40 A P G 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.659 90.4 74.3 -65.3 -12.1 7.8 61.2 29.7 39 41 A L G < S+ 0 0 78 -3,-1.8 2,-1.1 1,-0.2 -2,-0.2 0.705 85.0 69.8 -72.7 -19.5 10.1 60.3 32.6 40 42 A F < + 0 0 34 -3,-1.6 2,-0.5 -4,-0.4 7,-0.5 -0.754 68.2 162.7 -99.3 86.0 13.2 60.8 30.3 41 43 A Q + 0 0 103 -2,-1.1 2,-0.4 5,-0.1 5,-0.2 -0.945 9.3 175.0-113.6 118.7 13.1 64.6 29.8 42 44 A Y B > +A 45 0A 57 3,-0.9 3,-1.0 -2,-0.5 -2,-0.0 -0.979 67.4 5.8-124.8 139.0 16.3 66.4 28.5 43 45 A N T 3 S- 0 0 113 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.883 127.4 -66.3 60.7 38.0 16.7 70.0 27.5 44 46 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.777 107.9 116.1 52.7 38.6 13.2 70.7 28.8 45 47 A R B < -A 42 0A 178 -3,-1.0 -3,-0.9 -5,-0.0 2,-0.4 -0.967 57.0-134.4-135.1 149.1 11.4 68.6 26.1 46 48 A Q - 0 0 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.854 26.2-116.7-101.4 138.2 9.3 65.4 26.1 47 49 A F - 0 0 28 -7,-0.5 -7,-0.1 -2,-0.4 6,-0.0 -0.551 20.5-160.8 -67.5 128.5 9.8 62.6 23.7 48 50 A S S S+ 0 0 110 -2,-0.3 -1,-0.2 1,-0.2 -11,-0.1 0.921 73.4 15.4 -76.5 -42.9 6.7 62.3 21.5 49 51 A S S >> S- 0 0 42 1,-0.1 3,-1.4 -12,-0.1 4,-0.9 -0.906 80.1-110.4-129.3 157.1 7.4 58.7 20.4 50 52 A P H >> S+ 0 0 48 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.915 117.3 60.1 -53.5 -41.8 9.8 55.9 21.5 51 53 A E H 3> S+ 0 0 126 1,-0.3 4,-0.5 2,-0.2 3,-0.1 0.824 95.7 63.3 -58.6 -25.8 11.8 56.3 18.3 52 54 A D H X4 S+ 0 0 59 -3,-1.4 3,-1.1 1,-0.2 4,-0.3 0.879 97.1 57.1 -63.8 -37.6 12.5 60.0 19.4 53 55 A S H X< S+ 0 0 1 -3,-1.1 3,-1.5 -4,-0.9 7,-0.2 0.873 99.1 59.1 -63.1 -34.0 14.3 58.6 22.5 54 56 A L H 3< S+ 0 0 64 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.635 101.6 55.2 -71.5 -14.5 16.7 56.7 20.3 55 57 A S T << S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.433 88.2 96.5 -90.5 -7.4 17.9 59.9 18.6 56 58 A S <> - 0 0 12 -3,-1.5 4,-2.8 -4,-0.3 5,-0.3 -0.795 60.2-157.0 -91.7 120.6 18.8 61.6 21.9 57 59 A P H > S+ 0 0 86 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.890 97.7 53.5 -59.1 -40.2 22.5 61.5 22.9 58 60 A E H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.906 110.3 46.9 -60.1 -46.6 21.5 62.0 26.6 59 61 A F H > S+ 0 0 0 2,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.920 112.0 48.8 -63.4 -44.6 19.0 59.0 26.4 60 62 A L H X S+ 0 0 39 -4,-2.8 4,-2.1 -7,-0.2 -2,-0.2 0.911 110.1 52.9 -62.6 -35.4 21.6 56.7 24.7 61 63 A D H X S+ 0 0 94 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.908 106.3 53.5 -64.7 -35.3 24.1 57.8 27.4 62 64 A H H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.933 106.2 53.2 -62.7 -42.2 21.4 56.8 30.0 63 65 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.935 107.3 51.0 -56.9 -47.0 21.2 53.4 28.3 64 66 A R H X S+ 0 0 122 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 109.2 51.1 -58.2 -41.8 25.0 53.0 28.7 65 67 A K H X S+ 0 0 143 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.897 110.0 48.8 -61.5 -46.0 24.7 53.9 32.4 66 68 A V H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.913 111.1 50.5 -57.6 -46.4 22.0 51.2 32.9 67 69 A M H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.868 108.0 52.8 -64.9 -33.6 24.1 48.6 31.1 68 70 A L H X S+ 0 0 122 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.871 108.5 50.3 -69.2 -34.3 27.1 49.5 33.2 69 71 A V H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 111.2 47.6 -72.8 -35.8 25.1 49.0 36.4 70 72 A I H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.942 110.7 53.4 -65.9 -39.5 23.8 45.6 35.2 71 73 A D H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.879 106.2 52.3 -58.9 -38.9 27.4 44.7 34.3 72 74 A A H X S+ 0 0 24 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.873 107.0 52.6 -65.3 -40.9 28.5 45.6 37.9 73 75 A A H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.898 110.3 48.2 -59.1 -44.6 25.8 43.2 39.2 74 76 A V H >< S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 4,-0.2 0.923 108.6 53.5 -58.4 -48.7 27.2 40.5 36.9 75 77 A T H 3< S+ 0 0 100 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.851 118.5 36.9 -54.4 -36.4 30.8 41.3 38.2 76 78 A N T >< S+ 0 0 45 -4,-1.9 3,-2.0 1,-0.2 -1,-0.3 0.036 79.4 123.0-104.5 26.3 29.5 40.9 41.8 77 79 A V T < + 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.834 67.3 61.2 -61.6 -33.6 27.1 38.0 41.1 78 80 A E T 3 S+ 0 0 100 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.571 128.7 6.2 -71.4 -17.8 28.7 35.7 43.6 79 81 A D < - 0 0 93 -3,-2.0 -2,-0.1 1,-0.0 -3,-0.1 0.256 65.3-176.0-117.0 -85.2 27.9 38.1 46.4 80 82 A L S > S+ 0 0 18 -5,-0.0 3,-1.3 58,-0.0 4,-0.3 -0.258 70.9 87.3 106.9 -20.0 25.8 41.1 45.5 81 83 A S G > S+ 0 0 53 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.761 72.7 74.1 -74.6 -15.0 26.1 42.6 48.9 82 84 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -6,-0.2 4,-0.2 0.804 104.9 37.8 -63.8 -25.7 29.3 44.3 47.7 83 85 A L G <> S+ 0 0 26 -3,-1.3 4,-2.8 -7,-0.2 5,-0.3 0.365 84.3 112.1-103.8 3.2 27.0 46.7 45.7 84 86 A E H <> S+ 0 0 83 -3,-1.1 4,-2.1 -4,-0.3 5,-0.1 0.854 80.5 41.2 -47.6 -49.5 24.2 47.0 48.4 85 87 A E H > S+ 0 0 117 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.891 113.0 53.7 -73.8 -34.2 24.8 50.7 49.3 86 88 A Y H > S+ 0 0 101 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.955 112.7 45.5 -60.9 -45.7 25.4 51.8 45.7 87 89 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.890 110.6 51.7 -66.5 -36.2 22.0 50.1 44.7 88 90 A T H X S+ 0 0 21 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.947 111.6 48.5 -65.2 -40.8 20.2 51.6 47.7 89 91 A S H X S+ 0 0 68 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.926 109.5 52.2 -65.1 -38.7 21.5 55.0 46.6 90 92 A L H X S+ 0 0 37 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.922 107.8 52.8 -61.8 -38.3 20.4 54.3 43.0 91 93 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.954 105.0 54.4 -61.0 -45.0 16.9 53.5 44.4 92 94 A R H X S+ 0 0 173 -4,-2.4 4,-2.2 52,-0.3 -1,-0.2 0.916 106.8 51.8 -56.3 -40.0 16.8 56.8 46.3 93 95 A K H X S+ 0 0 132 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.875 108.0 52.8 -63.7 -38.9 17.5 58.6 43.0 94 96 A H H <>S+ 0 0 51 -4,-1.7 5,-2.3 -3,-0.3 4,-0.3 0.937 108.2 47.6 -62.4 -48.8 14.7 56.8 41.2 95 97 A R H ><5S+ 0 0 129 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.960 108.1 58.7 -59.4 -45.3 12.0 57.7 43.8 96 98 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 105.4 47.7 -49.1 -45.8 13.2 61.3 43.6 97 99 A V T 3<5S- 0 0 78 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.325 125.1 -96.7 -84.6 7.1 12.5 61.5 39.8 98 100 A G T < 5 + 0 0 46 -3,-2.2 2,-0.3 -4,-0.3 -3,-0.2 0.601 69.7 150.1 94.4 13.8 9.0 60.0 40.1 99 101 A V < - 0 0 28 -5,-2.3 2,-0.3 -60,-0.1 -1,-0.3 -0.613 38.4-134.8 -83.7 140.7 9.6 56.3 39.3 100 102 A R > - 0 0 146 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.687 11.3-129.5 -94.2 147.2 7.2 53.9 40.9 101 103 A L G > S+ 0 0 76 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.883 107.7 64.4 -58.5 -39.3 8.2 50.6 42.6 102 104 A S G > S+ 0 0 84 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.680 89.9 66.0 -59.5 -23.3 5.6 48.9 40.6 103 105 A S G <> S+ 0 0 10 -3,-1.5 4,-1.7 1,-0.2 3,-0.5 0.598 78.4 85.2 -76.6 -10.9 7.4 49.7 37.3 104 106 A F H <> S+ 0 0 24 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.871 84.3 56.0 -58.6 -38.1 10.4 47.4 38.4 105 107 A S H <> S+ 0 0 74 -3,-0.6 4,-2.4 -4,-0.3 -1,-0.2 0.860 104.8 51.8 -64.3 -38.5 8.6 44.3 37.0 106 108 A T H > S+ 0 0 28 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.2 0.890 109.9 48.5 -68.6 -36.1 8.3 45.8 33.5 107 109 A V H X S+ 0 0 44 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.919 111.3 51.4 -65.2 -39.9 12.0 46.7 33.4 108 110 A G H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.931 109.1 50.1 -63.2 -41.1 12.8 43.2 34.5 109 111 A E H X S+ 0 0 108 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.874 110.0 51.1 -64.8 -34.0 10.6 41.8 31.7 110 112 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.867 110.4 48.7 -70.3 -39.1 12.3 44.0 29.2 111 113 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.947 112.6 47.3 -65.4 -44.7 15.7 42.8 30.3 112 114 A L H X S+ 0 0 16 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.873 111.5 52.5 -65.0 -38.1 14.6 39.2 30.2 113 115 A Y H X S+ 0 0 72 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.968 109.2 48.7 -58.9 -50.1 13.2 39.9 26.7 114 116 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 113.5 47.2 -60.5 -42.8 16.5 41.3 25.5 115 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.942 111.3 50.6 -66.0 -42.5 18.4 38.3 26.9 116 118 A E H X S+ 0 0 111 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.940 113.1 46.2 -57.9 -48.7 16.0 35.8 25.3 117 119 A K H < S+ 0 0 128 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.5 45.9 -67.1 -30.5 16.3 37.6 21.9 118 120 A S H < S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.907 120.5 35.7 -78.5 -40.0 20.1 37.8 22.1 119 121 A L H >< S+ 0 0 16 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.747 78.4 179.9 -90.7 -23.1 20.8 34.2 23.3 120 122 A G G >< S+ 0 0 39 -4,-2.3 3,-2.4 -5,-0.3 -1,-0.2 -0.362 77.2 3.7 63.2-126.5 18.1 32.2 21.4 121 123 A P G 3 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.755 127.1 67.7 -66.2 -21.2 18.5 28.5 22.3 122 124 A D G < S+ 0 0 117 -3,-1.9 2,-1.7 1,-0.2 -2,-0.2 0.574 76.5 86.6 -74.8 -7.3 21.3 29.4 24.8 123 125 A F S < S+ 0 0 25 -3,-2.4 -1,-0.2 -7,-0.2 -3,-0.1 -0.512 73.0 179.5 -90.9 69.5 18.7 31.2 27.0 124 126 A T > - 0 0 54 -2,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.157 44.5 -99.1 -65.3 166.4 17.9 27.9 28.7 125 127 A P H > S+ 0 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.875 125.8 50.0 -49.0 -44.5 15.4 27.5 31.6 126 128 A A H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 110.3 50.2 -66.9 -38.9 18.2 27.6 34.1 127 129 A T H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.904 110.6 49.8 -63.8 -44.5 19.6 30.8 32.6 128 130 A R H X S+ 0 0 111 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.949 112.3 46.9 -57.8 -50.9 16.2 32.5 32.7 129 131 A T H X S+ 0 0 73 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.930 110.1 53.9 -62.5 -38.7 15.7 31.5 36.3 130 132 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.948 110.3 46.5 -62.3 -44.8 19.2 32.7 37.2 131 133 A W H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.895 109.1 54.2 -63.5 -38.2 18.6 36.2 35.7 132 134 A S H X S+ 0 0 41 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.923 111.2 46.8 -61.9 -38.9 15.2 36.5 37.3 133 135 A R H X S+ 0 0 115 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.914 113.1 47.8 -68.9 -43.8 16.9 35.9 40.7 134 136 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.960 114.0 46.5 -60.9 -52.4 19.7 38.3 40.0 135 137 A Y H X S+ 0 0 48 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.926 111.0 53.2 -56.2 -41.6 17.3 41.0 38.8 136 138 A G H X S+ 0 0 38 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.912 109.0 49.0 -61.2 -40.8 15.1 40.3 41.9 137 139 A A H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 111.4 50.2 -67.5 -36.3 18.1 40.8 44.2 138 140 A V H X S+ 0 0 19 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.942 111.7 46.6 -65.6 -48.1 19.0 44.0 42.4 139 141 A V H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.894 109.4 54.9 -64.4 -36.1 15.5 45.4 42.8 140 142 A Q H X S+ 0 0 119 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.925 110.0 46.8 -61.9 -45.9 15.4 44.4 46.4 141 143 A A H >< S+ 0 0 20 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.962 115.7 45.4 -59.9 -47.7 18.5 46.4 47.0 142 144 A M H 3< S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 98.7 71.5 -64.6 -33.4 17.2 49.4 45.1 143 145 A S H >< S+ 0 0 27 -4,-2.8 3,-1.5 -5,-0.2 2,-0.8 0.729 75.2 85.2 -59.7 -24.4 13.8 49.2 46.8 144 146 A R T << S+ 0 0 107 -3,-1.1 -52,-0.3 -4,-0.7 -53,-0.2 -0.732 79.6 64.1 -73.9 109.0 15.3 50.5 50.1 145 147 A G T 3 0 0 17 -2,-0.8 -1,-0.2 1,-0.7 -2,-0.1 0.122 360.0 360.0 156.8 -20.0 14.9 54.2 49.0 146 148 A W < 0 0 82 -3,-1.5 -1,-0.7 -51,-0.1 -54,-0.1 -0.379 360.0 360.0 -97.1 360.0 11.2 54.6 48.8