==== 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 12-MAR-09 3GLN . COMPND 2 MOLECULE: NEUROGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.MOSCHETTI,U.MUELLER,J.SCHULTZE,M.BRUNORI,B.VALLONE . 145 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 79.3 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 . 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 . 22 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 61.4 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 1 0 1 2 0 0 1 1 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 4 A P > 0 0 151 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.7 26.2 27.4 39.0 2 5 A E H > + 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.827 360.0 52.9 -77.3 -37.6 24.0 30.4 38.7 3 6 A S H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.839 108.1 52.2 -67.2 -34.4 26.6 33.1 38.7 4 7 A E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.804 107.4 51.8 -75.7 -30.5 28.4 31.3 35.9 5 8 A L H X S+ 0 0 58 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.914 111.5 49.1 -65.4 -43.7 25.2 31.3 33.8 6 9 A I H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 113.2 44.8 -63.5 -48.9 24.9 35.0 34.4 7 10 A R H X S+ 0 0 55 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.929 114.2 48.5 -64.8 -44.5 28.5 35.8 33.4 8 11 A Q H X S+ 0 0 58 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.862 114.1 46.2 -61.3 -38.0 28.4 33.6 30.3 9 12 A S H X S+ 0 0 7 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.879 111.3 51.9 -75.8 -36.2 25.1 35.0 29.1 10 13 A W H X S+ 0 0 8 -4,-2.0 4,-2.7 -5,-0.2 3,-0.3 0.772 90.6 80.1 -65.1 -30.0 26.2 38.6 29.7 11 14 A R H X S+ 0 0 94 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.851 95.2 43.2 -52.7 -46.1 29.4 38.2 27.7 12 15 A V H < S+ 0 0 55 -4,-0.5 4,-0.5 -3,-0.4 -1,-0.2 0.849 115.7 49.3 -62.5 -42.6 27.7 38.7 24.3 13 16 A V H >< S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.3 7,-0.3 0.900 104.2 57.5 -64.9 -46.5 25.6 41.6 25.5 14 17 A S H 3< S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.728 95.1 66.0 -66.1 -25.0 28.5 43.5 27.1 15 18 A R T 3< S+ 0 0 197 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.782 119.1 21.7 -64.8 -30.7 30.4 43.6 23.8 16 19 A S S <> S+ 0 0 31 -3,-1.4 4,-1.9 -4,-0.5 -1,-0.3 -0.594 75.5 163.1-137.6 73.4 27.7 45.9 22.3 17 20 A P H > S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.828 73.3 50.8 -65.8 -35.6 26.0 47.5 25.2 18 21 A L H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 110.4 48.8 -69.7 -46.8 24.2 50.3 23.3 19 22 A E H > S+ 0 0 140 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 117.4 42.8 -52.7 -46.0 22.8 48.0 20.7 20 23 A H H X S+ 0 0 26 -4,-1.9 4,-1.7 -7,-0.3 -2,-0.2 0.880 114.2 48.0 -72.5 -40.7 21.5 45.6 23.4 21 24 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.771 105.1 61.7 -72.6 -24.6 20.2 48.4 25.7 22 25 A T H X S+ 0 0 37 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.952 104.6 48.2 -59.2 -49.5 18.5 50.0 22.7 23 26 A V H X S+ 0 0 55 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.916 111.0 51.0 -54.0 -49.2 16.5 46.7 22.4 24 27 A L H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.936 115.4 41.0 -57.5 -49.1 15.7 46.9 26.2 25 28 A F H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.899 112.0 53.8 -74.3 -35.6 14.4 50.5 26.0 26 29 A A H X S+ 0 0 47 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.916 114.1 44.4 -55.0 -46.1 12.5 50.0 22.6 27 30 A R H X S+ 0 0 91 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.870 108.6 56.8 -64.6 -45.7 10.7 47.1 24.3 28 31 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.938 110.8 43.6 -52.9 -48.8 10.1 49.0 27.5 29 32 A F H < S+ 0 0 3 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.752 109.2 56.2 -73.6 -25.3 8.3 51.8 25.6 30 33 A A H < S+ 0 0 75 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 116.2 38.7 -66.7 -34.3 6.3 49.4 23.5 31 34 A L H < S+ 0 0 72 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.829 134.6 18.1 -81.4 -37.7 5.0 47.8 26.7 32 35 A E >< + 0 0 70 -4,-2.3 3,-1.9 -5,-0.2 4,-0.3 -0.651 60.0 173.2-144.8 77.2 4.6 51.0 28.7 33 36 A P G > S+ 0 0 79 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.732 74.7 75.7 -56.2 -26.6 4.5 54.2 26.6 34 37 A S G 3 S+ 0 0 77 1,-0.3 4,-0.2 2,-0.2 -5,-0.1 0.607 85.5 64.0 -68.1 -8.8 3.6 56.2 29.8 35 38 A L G X S+ 0 0 16 -3,-1.9 3,-1.8 1,-0.2 4,-0.5 0.739 81.4 81.8 -80.5 -22.3 7.3 55.9 30.8 36 39 A L G X S+ 0 0 9 -3,-1.6 3,-2.0 -4,-0.3 10,-0.3 0.892 84.0 56.9 -50.4 -48.9 8.4 57.9 27.8 37 40 A P G 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.632 92.0 71.4 -59.7 -16.3 7.7 61.4 29.5 38 41 A L G < S+ 0 0 80 -3,-1.8 2,-1.1 1,-0.2 -2,-0.2 0.719 84.2 74.1 -72.2 -20.1 9.9 60.6 32.4 39 42 A F < + 0 0 35 -3,-2.0 2,-0.5 -4,-0.5 7,-0.4 -0.727 67.8 163.6 -96.4 88.2 13.0 61.0 30.1 40 43 A Q + 0 0 93 -2,-1.1 2,-0.4 5,-0.1 5,-0.2 -0.922 16.4 179.0-118.9 128.5 13.3 64.7 29.6 41 44 A Y B > S+A 44 0A 56 3,-0.9 3,-1.4 -2,-0.5 -2,-0.0 -0.977 76.2 4.8-128.1 136.2 16.2 66.7 28.3 42 45 A N T 3 S- 0 0 89 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.801 127.9 -67.8 57.5 33.9 16.2 70.5 27.8 43 46 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.737 106.2 127.4 58.9 25.3 12.8 70.5 29.3 44 47 A R B < -A 41 0A 192 -3,-1.4 -3,-0.9 -5,-0.0 2,-0.4 -0.871 52.1-139.9-116.7 151.6 11.3 68.7 26.3 45 48 A Q - 0 0 120 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.836 23.4-118.2-102.7 136.8 9.2 65.5 26.1 46 49 A F - 0 0 31 -7,-0.4 -7,-0.1 -2,-0.4 6,-0.0 -0.634 17.8-155.6 -64.8 130.3 9.8 62.9 23.4 47 50 A S S S+ 0 0 115 -2,-0.3 -1,-0.2 1,-0.1 -11,-0.1 0.933 74.6 15.9 -69.1 -48.7 6.6 62.5 21.3 48 51 A S S >> S- 0 0 26 1,-0.1 3,-1.0 -12,-0.1 4,-0.8 -0.809 80.7-108.2-127.9 159.9 7.3 59.0 20.2 49 52 A P H >> S+ 0 0 51 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.859 117.9 57.3 -52.9 -36.1 9.6 56.1 21.2 50 53 A E H 3> S+ 0 0 129 1,-0.2 4,-0.5 2,-0.2 -24,-0.0 0.740 95.3 65.8 -71.8 -23.1 11.8 56.6 18.1 51 54 A D H X4 S+ 0 0 55 -3,-1.0 3,-0.8 2,-0.2 -1,-0.2 0.828 97.5 55.1 -56.6 -38.0 12.4 60.2 19.2 52 55 A S H X< S+ 0 0 1 -3,-0.8 3,-1.6 -4,-0.8 7,-0.2 0.907 100.1 59.9 -68.4 -35.1 14.3 58.8 22.3 53 56 A L H 3< S+ 0 0 63 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.683 102.6 52.6 -64.1 -22.7 16.6 56.8 20.0 54 57 A S T << S+ 0 0 90 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.423 88.0 97.4 -94.2 3.8 17.8 60.0 18.3 55 58 A S <> - 0 0 12 -3,-1.6 4,-2.4 -4,-0.2 5,-0.2 -0.833 61.4-153.5-101.3 117.1 18.8 61.8 21.5 56 59 A P H > S+ 0 0 88 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.875 98.4 52.6 -47.2 -47.9 22.5 61.7 22.6 57 60 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.868 109.6 46.9 -61.6 -42.2 21.5 62.2 26.2 58 61 A F H > S+ 0 0 0 2,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.899 112.5 49.6 -64.2 -41.8 19.0 59.3 26.1 59 62 A L H X S+ 0 0 41 -4,-2.4 4,-2.0 -7,-0.2 -2,-0.2 0.904 110.4 52.1 -64.8 -38.1 21.6 57.1 24.4 60 63 A D H X S+ 0 0 88 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.911 105.1 55.4 -58.7 -43.8 24.0 58.2 27.2 61 64 A H H X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.923 107.3 50.4 -55.1 -43.6 21.3 57.2 29.7 62 65 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.929 106.0 53.2 -61.0 -48.5 21.3 53.6 28.2 63 66 A R H X S+ 0 0 130 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.888 108.9 51.6 -55.2 -37.0 25.1 53.3 28.4 64 67 A K H X S+ 0 0 130 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.842 109.7 49.4 -68.1 -39.6 24.9 54.2 32.1 65 68 A V H X S+ 0 0 35 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.878 110.7 48.6 -60.4 -44.2 22.2 51.5 32.7 66 69 A M H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.836 109.1 54.4 -70.6 -31.1 24.2 48.8 30.9 67 70 A L H X S+ 0 0 122 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.923 109.1 47.9 -66.9 -41.5 27.3 49.9 33.0 68 71 A V H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 111.5 49.0 -67.3 -39.0 25.3 49.4 36.2 69 72 A I H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.893 109.8 53.4 -61.6 -41.7 24.0 46.0 35.1 70 73 A D H X S+ 0 0 58 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.894 105.6 53.0 -59.8 -40.7 27.6 45.1 34.2 71 74 A A H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.968 109.6 49.2 -57.3 -51.1 28.6 46.1 37.8 72 75 A A H < S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 111.2 49.6 -57.3 -36.2 25.9 43.7 39.1 73 76 A V H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.934 110.6 48.5 -68.0 -44.6 27.2 40.9 36.8 74 77 A T H 3< S+ 0 0 100 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.877 119.8 40.2 -62.5 -36.5 30.8 41.4 37.9 75 78 A N T 3< S+ 0 0 56 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.197 77.3 123.5-102.8 39.1 29.6 41.3 41.5 76 79 A V S < S+ 0 0 21 -3,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.835 70.3 55.1 -73.4 -31.4 27.0 38.5 41.3 77 80 A E S S+ 0 0 167 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.811 126.9 17.7 -68.5 -33.8 28.5 36.3 44.0 78 81 A D + 0 0 49 -3,-0.1 3,-0.4 1,-0.1 -1,-0.3 -0.816 59.2 168.3-145.2 105.2 28.3 39.1 46.5 79 82 A L >> + 0 0 34 -3,-0.3 3,-3.0 -2,-0.3 4,-1.5 0.573 68.6 86.5 -90.8 -15.9 26.1 42.1 45.8 80 83 A S H 3> S+ 0 0 99 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.875 84.3 60.9 -43.5 -42.5 26.6 43.3 49.3 81 84 A S H 34 S+ 0 0 81 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.514 115.0 32.7 -66.0 -5.5 29.6 45.0 47.8 82 85 A L H <> S+ 0 0 20 -3,-3.0 4,-2.0 -7,-0.1 3,-0.4 0.419 91.3 95.7-121.8 -11.2 27.2 46.9 45.5 83 86 A E H X S+ 0 0 34 -4,-1.5 4,-2.3 -3,-0.3 5,-0.2 0.821 81.2 54.6 -57.6 -38.3 24.2 47.3 47.7 84 87 A E H X S+ 0 0 160 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.896 108.2 49.0 -64.1 -45.0 25.1 50.9 48.9 85 88 A Y H > S+ 0 0 104 -3,-0.4 4,-3.1 2,-0.2 3,-0.3 0.978 112.7 48.6 -55.5 -54.2 25.4 52.2 45.4 86 89 A L H X S+ 0 0 3 -4,-2.0 4,-3.4 1,-0.3 -2,-0.2 0.863 106.7 54.6 -58.0 -41.6 21.9 50.6 44.4 87 90 A T H X S+ 0 0 25 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.922 112.5 43.9 -60.9 -41.0 20.1 52.0 47.5 88 91 A S H X S+ 0 0 41 -4,-1.7 4,-2.3 -3,-0.3 -2,-0.2 0.952 111.6 53.6 -68.3 -46.4 21.4 55.5 46.5 89 92 A L H X S+ 0 0 33 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.903 106.6 54.3 -45.1 -46.0 20.4 54.7 42.9 90 93 A G H X S+ 0 0 0 -4,-3.4 4,-2.2 -5,-0.2 -1,-0.2 0.921 106.2 51.0 -56.0 -44.7 17.0 53.9 44.2 91 94 A R H X S+ 0 0 140 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.897 105.9 53.9 -61.6 -46.5 16.7 57.3 45.9 92 95 A K H X S+ 0 0 136 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.838 111.2 49.6 -54.6 -35.7 17.6 59.1 42.7 93 96 A H H ><>S+ 0 0 50 -4,-1.6 5,-1.9 -3,-0.2 3,-0.7 0.930 108.3 47.8 -71.2 -52.0 14.7 57.2 41.1 94 97 A R H ><5S+ 0 0 153 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.823 110.9 54.8 -57.4 -36.4 11.9 57.8 43.6 95 98 A A H 3<5S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.754 104.4 54.2 -69.5 -28.3 12.9 61.5 43.5 96 99 A V T <<5S- 0 0 75 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.228 125.7 -92.2 -97.9 15.6 12.5 61.7 39.8 97 100 A G T < 5S+ 0 0 43 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.443 73.4 149.1 97.2 4.5 8.9 60.3 39.6 98 101 A V < - 0 0 31 -5,-1.9 2,-0.4 -60,-0.1 -1,-0.3 -0.517 37.7-140.0 -76.3 131.6 9.6 56.6 39.1 99 102 A R > - 0 0 180 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.747 12.0-132.5 -92.6 138.7 7.1 54.2 40.6 100 103 A L G > S+ 0 0 78 -2,-0.4 3,-1.6 1,-0.2 4,-0.3 0.811 106.7 62.2 -48.2 -38.4 8.2 51.0 42.3 101 104 A S G > S+ 0 0 93 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.708 89.3 69.8 -71.4 -16.4 5.6 49.0 40.3 102 105 A S G <> S+ 0 0 25 -3,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.596 79.3 80.7 -69.2 -13.8 7.4 50.0 37.1 103 106 A F H <> S+ 0 0 22 -3,-1.6 4,-2.4 -4,-0.2 -1,-0.2 0.814 84.7 57.2 -64.2 -38.0 10.3 47.7 38.1 104 107 A S H <> S+ 0 0 76 -3,-0.7 4,-2.5 -4,-0.3 -1,-0.2 0.918 106.3 48.8 -62.0 -42.3 8.5 44.6 36.8 105 108 A T H > S+ 0 0 27 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.853 111.8 50.1 -62.3 -39.2 8.1 46.0 33.3 106 109 A V H X S+ 0 0 44 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.892 111.0 49.3 -68.9 -41.3 11.8 47.0 33.3 107 110 A G H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.915 110.6 49.4 -64.0 -42.9 12.7 43.5 34.4 108 111 A E H X S+ 0 0 106 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.845 110.4 51.2 -63.4 -34.6 10.5 41.9 31.7 109 112 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.841 110.5 49.3 -71.3 -39.4 12.2 44.2 29.1 110 113 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.947 113.0 46.3 -56.5 -51.9 15.6 43.1 30.3 111 114 A L H X S+ 0 0 16 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.904 111.9 52.7 -56.8 -41.3 14.6 39.4 30.1 112 115 A Y H X S+ 0 0 71 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.946 109.6 47.3 -59.5 -51.2 13.1 40.0 26.7 113 116 A M H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.906 113.8 48.0 -57.6 -44.1 16.4 41.6 25.5 114 117 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.938 113.4 47.2 -62.8 -47.8 18.4 38.7 26.9 115 118 A E H X S+ 0 0 105 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.927 113.6 47.7 -59.0 -46.4 16.1 36.1 25.4 116 119 A K H < S+ 0 0 125 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 116.9 44.0 -64.1 -36.3 16.2 37.8 22.0 117 120 A S H < S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.932 120.6 38.0 -71.2 -46.1 20.0 38.1 22.1 118 121 A L H >< S+ 0 0 17 -4,-3.1 3,-1.7 1,-0.2 -2,-0.2 0.784 79.5 177.2 -81.4 -28.9 20.7 34.6 23.3 119 122 A G G >< S+ 0 0 40 -4,-2.5 3,-2.0 -5,-0.3 -1,-0.2 -0.407 74.9 7.3 59.5-123.1 18.1 32.5 21.4 120 123 A P G 3 S+ 0 0 124 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.790 125.7 67.3 -62.7 -24.8 18.5 28.8 22.1 121 124 A D G < S+ 0 0 114 -3,-1.7 2,-1.0 1,-0.2 -2,-0.2 0.404 75.5 91.7 -74.2 1.2 21.1 29.6 24.8 122 125 A F < + 0 0 26 -3,-2.0 -1,-0.2 -7,-0.2 -3,-0.1 -0.480 62.6 175.3 -96.1 64.1 18.4 31.3 26.9 123 126 A T >> - 0 0 62 -2,-1.0 4,-2.0 1,-0.1 3,-1.2 -0.302 47.7-104.9 -67.0 150.6 17.5 28.2 28.9 124 127 A P H 3> S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.765 123.8 59.6 -47.4 -32.1 15.0 28.4 31.8 125 128 A A H 3> S+ 0 0 52 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.925 107.0 46.2 -61.6 -44.6 18.0 28.1 34.2 126 129 A T H <> S+ 0 0 7 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.962 112.5 49.6 -62.5 -53.5 19.4 31.3 32.6 127 130 A R H X S+ 0 0 102 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 113.2 47.4 -45.4 -52.3 16.0 33.1 32.8 128 131 A T H X S+ 0 0 77 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.880 111.6 50.0 -59.4 -44.4 15.7 32.1 36.5 129 132 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.949 113.3 45.5 -62.4 -47.8 19.2 33.2 37.3 130 133 A W H X S+ 0 0 3 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.893 110.9 53.4 -63.7 -37.6 18.7 36.6 35.7 131 134 A S H X S+ 0 0 51 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.880 110.8 46.9 -66.2 -37.3 15.3 37.0 37.4 132 135 A R H X S+ 0 0 175 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 113.6 48.0 -65.7 -47.8 16.9 36.3 40.8 133 136 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.971 113.6 47.0 -58.4 -50.5 19.7 38.8 40.0 134 137 A Y H X S+ 0 0 42 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.897 110.3 53.7 -58.6 -39.6 17.3 41.5 38.9 135 138 A G H X S+ 0 0 38 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.875 108.6 48.8 -62.1 -38.0 15.1 40.8 41.9 136 139 A A H X S+ 0 0 37 -4,-2.1 4,-2.0 -3,-0.2 -2,-0.2 0.935 111.4 50.2 -65.8 -47.1 18.1 41.4 44.3 137 140 A V H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.899 111.5 47.9 -53.1 -47.2 19.0 44.6 42.4 138 141 A V H X S+ 0 0 24 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.868 106.3 58.3 -67.8 -34.8 15.4 45.8 42.7 139 142 A Q H X S+ 0 0 135 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.945 109.0 44.9 -55.0 -49.6 15.3 44.9 46.5 140 143 A A H >X S+ 0 0 9 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.919 113.8 48.1 -62.5 -46.4 18.3 47.2 47.1 141 144 A M H 3< S+ 0 0 13 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.782 102.9 63.5 -68.5 -28.4 16.9 50.1 45.0 142 145 A S H >< S+ 0 0 43 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.841 90.5 66.9 -66.3 -31.2 13.5 49.8 46.8 143 146 A R H << S+ 0 0 123 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.921 91.4 63.1 -49.2 -48.7 15.2 50.8 50.1 144 147 A G T 3< 0 0 9 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.610 360.0 360.0 -54.8 -16.0 15.8 54.2 48.6 145 148 A W < 0 0 63 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.1 -0.221 360.0 360.0 -76.7 360.0 12.0 54.7 48.4