==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 16-APR-08 2VRY . COMPND 2 MOLECULE: NEUROGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.ARCOVITO,T.MOSCHETTI,P.D'ANGELO,G.MANCINI,B.VALLONE,M.BRUN . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 81.6 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 59.2 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 1 0 0 0 0 0 0 0 0 1 1 1 0 1 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 86 0, 0.0 4,-0.3 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 -43.9 25.6 29.7 43.4 2 4 A P >> + 0 0 112 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.831 360.0 52.4 -73.3 -33.4 25.9 27.1 40.6 3 5 A E H 3> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.496 88.5 79.2 -76.6 -6.6 23.6 29.5 38.8 4 6 A S H 3> S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 96.8 46.8 -67.1 -33.2 26.2 32.3 39.6 5 7 A E H <> S+ 0 0 89 -3,-1.0 4,-3.3 -4,-0.3 5,-0.3 0.847 107.2 56.0 -67.4 -41.2 28.1 30.7 36.7 6 8 A L H X S+ 0 0 61 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.881 111.3 44.7 -59.9 -38.9 24.9 30.7 34.6 7 9 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.954 114.7 48.3 -66.2 -52.3 24.6 34.5 35.3 8 10 A R H X S+ 0 0 76 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.932 114.4 44.0 -55.4 -52.0 28.3 35.0 34.5 9 11 A Q H X S+ 0 0 113 -4,-3.3 4,-0.8 1,-0.2 3,-0.2 0.904 115.2 47.8 -65.3 -43.5 28.4 33.0 31.2 10 12 A S H X S+ 0 0 11 -4,-1.7 4,-0.8 -5,-0.3 3,-0.2 0.826 109.1 53.5 -66.7 -33.9 25.1 34.5 29.9 11 13 A W H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.814 94.1 72.6 -71.8 -25.7 26.1 38.1 30.7 12 14 A R H X S+ 0 0 62 -4,-1.3 4,-0.7 -3,-0.2 -1,-0.2 0.909 96.2 49.7 -56.4 -46.5 29.4 37.7 28.7 13 15 A V H >< S+ 0 0 48 -4,-0.8 3,-0.6 -3,-0.2 4,-0.3 0.931 116.5 40.6 -55.6 -48.1 27.5 37.7 25.4 14 16 A V H >< S+ 0 0 0 -4,-0.8 3,-1.4 1,-0.2 7,-0.3 0.843 104.6 63.4 -80.2 -31.0 25.5 40.8 26.2 15 17 A S H 3< S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.660 88.7 72.7 -70.3 -14.6 28.3 42.9 27.9 16 18 A R T << S+ 0 0 176 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.745 116.0 18.7 -71.2 -24.6 30.3 43.0 24.7 17 19 A S S <> S+ 0 0 32 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.3 -0.522 75.4 167.5-142.6 72.5 27.8 45.4 23.1 18 20 A P H > S+ 0 0 39 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.835 74.7 51.1 -62.0 -36.7 25.9 46.9 26.1 19 21 A L H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.925 110.2 49.3 -66.8 -43.5 24.2 49.8 24.1 20 22 A E H > S+ 0 0 145 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.917 118.2 39.9 -59.6 -46.6 22.9 47.5 21.4 21 23 A H H X S+ 0 0 30 -4,-2.0 4,-1.9 -7,-0.3 -2,-0.2 0.893 114.1 53.3 -69.4 -41.7 21.5 45.1 24.0 22 24 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.794 103.7 58.0 -61.8 -32.7 20.3 47.9 26.3 23 25 A T H X S+ 0 0 40 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.899 105.0 50.6 -67.8 -38.6 18.4 49.5 23.3 24 26 A V H X S+ 0 0 54 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.930 110.1 50.2 -57.0 -50.3 16.5 46.2 23.0 25 27 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.947 115.1 42.6 -56.9 -51.0 15.6 46.3 26.7 26 28 A F H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.870 111.8 52.2 -67.0 -38.8 14.4 49.9 26.5 27 29 A A H X S+ 0 0 46 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.944 113.7 46.2 -59.4 -44.8 12.4 49.5 23.2 28 30 A R H X S+ 0 0 92 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.918 109.6 55.3 -60.2 -45.0 10.7 46.5 24.9 29 31 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.918 109.8 44.3 -57.0 -44.9 10.1 48.6 28.1 30 32 A F H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 109.6 57.4 -72.8 -29.2 8.3 51.4 26.2 31 33 A A H < S+ 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 115.8 36.1 -65.6 -33.9 6.3 48.8 24.2 32 34 A L H < S+ 0 0 77 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.818 135.0 20.6 -86.2 -35.2 5.0 47.3 27.4 33 35 A E >< + 0 0 39 -4,-2.5 3,-2.0 -5,-0.2 4,-0.3 -0.642 62.6 172.7-140.0 73.7 4.7 50.5 29.5 34 36 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.755 72.7 75.4 -56.4 -23.6 4.5 53.6 27.2 35 37 A S G 3 S+ 0 0 86 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.603 83.3 68.4 -71.3 -12.2 3.7 55.8 30.3 36 38 A L G X S+ 0 0 10 -3,-2.0 3,-1.6 1,-0.2 4,-0.4 0.719 78.5 82.0 -71.1 -23.5 7.4 55.6 31.3 37 39 A L G X S+ 0 0 11 -3,-1.7 3,-1.4 -4,-0.3 10,-0.4 0.871 84.3 54.9 -55.2 -42.8 8.5 57.7 28.3 38 40 A P G 3 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.616 91.6 75.0 -66.8 -12.2 7.8 61.2 29.8 39 41 A L G < S+ 0 0 60 -3,-1.6 2,-1.4 1,-0.2 -2,-0.2 0.749 78.4 77.7 -73.9 -20.0 9.9 60.4 32.8 40 42 A F < + 0 0 30 -3,-1.4 2,-0.7 -4,-0.4 7,-0.4 -0.656 65.8 169.7 -88.0 83.4 13.1 60.9 30.7 41 43 A Q + 0 0 98 -2,-1.4 2,-0.4 5,-0.1 3,-0.2 -0.868 4.9 173.0-106.5 107.7 13.0 64.6 30.7 42 44 A Y B > S-A 45 0A 59 3,-1.0 3,-1.3 -2,-0.7 -2,-0.0 -0.973 70.1 -1.0-118.7 131.1 16.2 66.2 29.2 43 45 A N T 3 S- 0 0 147 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.893 127.0 -64.9 56.9 40.2 16.6 69.9 28.6 44 46 A G T 3 S+ 0 0 63 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.617 109.3 117.4 64.3 15.7 13.0 70.5 29.9 45 47 A R B < -A 42 0A 190 -3,-1.3 -3,-1.0 -5,-0.0 2,-0.4 -0.854 55.7-138.6-119.8 153.3 11.4 68.5 27.0 46 48 A Q - 0 0 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.860 23.7-119.5-108.5 137.3 9.3 65.2 26.7 47 49 A F - 0 0 30 -10,-0.4 -7,-0.1 -2,-0.4 6,-0.0 -0.621 17.7-157.1 -70.8 134.4 9.9 62.6 24.0 48 50 A S S S+ 0 0 102 -2,-0.3 -1,-0.2 1,-0.2 -11,-0.1 0.915 73.2 18.1 -77.5 -46.0 6.7 62.1 22.0 49 51 A S S >> S- 0 0 37 1,-0.1 3,-1.0 -12,-0.1 4,-0.9 -0.865 79.6-111.5-125.8 158.3 7.4 58.6 20.7 50 52 A P H >> S+ 0 0 55 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.899 117.3 59.6 -56.3 -37.8 9.7 55.8 21.8 51 53 A E H 34 S+ 0 0 122 1,-0.3 4,-0.4 2,-0.2 3,-0.1 0.809 96.8 63.7 -62.6 -26.6 11.8 56.2 18.7 52 54 A D H X4 S+ 0 0 64 -3,-1.0 3,-1.3 1,-0.2 4,-0.4 0.873 96.3 56.5 -57.7 -39.9 12.5 59.8 19.8 53 55 A S H X< S+ 0 0 2 -3,-1.1 3,-1.5 -4,-0.9 7,-0.2 0.886 99.0 61.1 -64.7 -32.1 14.3 58.5 22.9 54 56 A L T 3< S+ 0 0 63 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.634 100.8 53.7 -71.7 -11.3 16.7 56.5 20.7 55 57 A S T < S+ 0 0 95 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.472 88.2 98.6 -94.8 -5.0 17.9 59.8 19.0 56 58 A S <> - 0 0 10 -3,-1.5 4,-2.4 -4,-0.4 5,-0.3 -0.731 60.6-157.5 -91.6 117.8 18.8 61.4 22.4 57 59 A P H > S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.914 97.6 52.2 -60.1 -36.3 22.5 61.2 23.4 58 60 A E H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.883 109.4 48.5 -64.4 -40.8 21.4 61.6 27.1 59 61 A F H > S+ 0 0 0 2,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.909 111.7 48.2 -64.2 -43.4 18.9 58.8 26.8 60 62 A L H X S+ 0 0 40 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.876 108.5 56.1 -65.7 -34.0 21.5 56.4 25.2 61 63 A D H X S+ 0 0 85 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.873 104.9 51.8 -62.0 -40.9 23.9 57.5 28.0 62 64 A H H X S+ 0 0 30 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.912 104.9 56.0 -62.8 -44.2 21.3 56.3 30.5 63 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 107.8 49.1 -48.5 -46.3 21.1 53.0 28.7 64 66 A R H X S+ 0 0 116 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.920 110.3 50.2 -61.4 -40.9 24.8 52.7 29.2 65 67 A K H X S+ 0 0 128 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.900 109.1 52.4 -60.9 -43.5 24.5 53.5 33.0 66 68 A V H X S+ 0 0 29 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.939 109.9 48.2 -59.2 -47.3 21.7 50.9 33.4 67 69 A M H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.851 108.6 54.0 -66.7 -34.9 24.0 48.3 31.8 68 70 A L H X S+ 0 0 114 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.878 107.3 50.2 -68.5 -32.4 26.9 49.2 34.0 69 71 A V H X S+ 0 0 25 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.922 112.1 47.5 -70.8 -39.6 24.7 48.8 37.2 70 72 A I H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 109.3 54.6 -63.3 -41.5 23.6 45.3 36.0 71 73 A D H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.861 106.4 51.5 -59.0 -35.5 27.3 44.6 35.2 72 74 A A H X S+ 0 0 28 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.840 107.1 53.6 -67.3 -35.5 28.1 45.5 38.9 73 75 A A H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 6,-0.2 0.893 108.9 48.3 -66.5 -41.3 25.4 43.1 40.0 74 76 A V H >< S+ 0 0 8 -4,-2.3 3,-1.6 2,-0.2 4,-0.2 0.916 109.2 53.3 -61.0 -46.7 26.9 40.3 38.0 75 77 A T H 3< S+ 0 0 104 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.867 119.3 35.3 -57.3 -37.0 30.4 41.1 39.4 76 78 A N T >< S+ 0 0 46 -4,-1.8 3,-2.3 1,-0.2 -1,-0.3 0.093 79.6 125.4-104.7 25.8 28.9 40.8 42.9 77 79 A V T < S+ 0 0 29 -3,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.807 72.8 54.7 -54.2 -32.4 26.5 38.0 42.1 78 80 A E T 3 S+ 0 0 137 -3,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.580 127.0 15.2 -81.1 -13.6 27.9 35.9 44.9 79 81 A D X + 0 0 84 -3,-2.3 3,-0.9 -6,-0.2 -1,-0.3 -0.504 61.0 173.9-162.9 93.9 27.3 38.6 47.5 80 82 A L G > + 0 0 32 -3,-0.3 3,-1.8 1,-0.2 4,-0.5 0.569 66.4 86.0 -80.9 -10.7 24.9 41.5 46.6 81 83 A S G > S+ 0 0 86 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.734 78.1 69.4 -63.7 -19.6 24.9 43.1 50.1 82 84 A S G < S+ 0 0 75 -3,-0.9 -1,-0.3 1,-0.2 4,-0.2 0.766 105.4 40.5 -65.4 -25.1 28.1 45.0 49.0 83 85 A L G <> S+ 0 0 25 -3,-1.8 4,-3.3 1,-0.1 5,-0.3 0.447 85.3 100.5-101.8 -4.3 25.9 47.0 46.6 84 86 A E H <> S+ 0 0 42 -3,-0.5 4,-3.0 -4,-0.5 5,-0.2 0.878 83.9 47.6 -51.0 -47.6 22.9 47.5 48.9 85 87 A E H > S+ 0 0 150 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.925 114.5 45.3 -62.0 -45.8 23.9 51.0 49.9 86 88 A Y H > S+ 0 0 115 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.934 115.9 47.5 -64.5 -41.4 24.5 52.1 46.4 87 89 A L H X S+ 0 0 2 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.892 107.1 55.7 -71.9 -37.5 21.3 50.4 45.2 88 90 A T H X S+ 0 0 36 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.926 110.9 45.2 -54.9 -46.9 19.1 51.9 48.0 89 91 A S H X S+ 0 0 67 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.843 108.5 56.4 -68.8 -34.1 20.2 55.4 46.9 90 92 A L H X S+ 0 0 33 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.889 107.7 50.5 -63.9 -36.2 19.6 54.6 43.3 91 93 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.913 107.3 51.8 -65.8 -43.6 16.1 53.7 44.3 92 94 A R H X S+ 0 0 64 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.902 109.7 51.5 -58.3 -47.5 15.7 57.0 46.1 93 95 A K H X S+ 0 0 135 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.909 110.9 46.2 -46.2 -59.6 16.9 58.8 42.9 94 96 A H H X>S+ 0 0 34 -4,-2.0 5,-2.5 2,-0.2 4,-1.0 0.911 109.2 54.0 -64.8 -38.0 14.4 57.1 40.8 95 97 A R H ><5S+ 0 0 128 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.955 109.8 50.5 -52.8 -49.5 11.6 57.7 43.3 96 98 A A H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.851 107.0 52.8 -56.5 -38.3 12.6 61.4 43.0 97 99 A V H 3<5S- 0 0 68 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.646 125.4-101.6 -79.2 -11.2 12.4 61.3 39.2 98 100 A G T <<5 + 0 0 38 -3,-1.1 2,-0.4 -4,-1.0 -3,-0.2 0.537 69.5 146.4 108.9 7.6 8.9 59.9 39.4 99 101 A V < - 0 0 20 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.652 43.5-134.4 -78.2 127.3 9.4 56.2 38.8 100 102 A R > - 0 0 188 -2,-0.4 3,-1.2 1,-0.1 4,-0.5 -0.594 16.8-123.7 -75.8 144.1 6.9 54.0 40.7 101 103 A L T > S+ 0 0 68 1,-0.3 3,-2.0 -2,-0.2 4,-0.3 0.892 110.9 61.6 -54.6 -42.4 8.4 51.0 42.4 102 104 A S T >> S+ 0 0 82 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.800 89.1 69.5 -57.4 -31.6 6.0 48.7 40.5 103 105 A S H <> S+ 0 0 5 -3,-1.2 4,-1.7 1,-0.3 -1,-0.3 0.729 84.9 71.4 -59.9 -21.5 7.5 49.9 37.1 104 106 A F H <> S+ 0 0 19 -3,-2.0 4,-1.9 -4,-0.5 -1,-0.3 0.726 88.3 61.6 -71.1 -17.7 10.7 48.0 38.0 105 107 A S H <> S+ 0 0 79 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.930 103.7 49.0 -70.0 -40.7 8.8 44.7 37.5 106 108 A T H X S+ 0 0 27 -4,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.880 108.3 54.1 -62.5 -40.2 8.3 45.7 33.8 107 109 A V H X S+ 0 0 25 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.922 107.5 50.8 -55.8 -47.4 12.0 46.5 33.7 108 110 A G H X S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.912 110.1 49.0 -56.4 -45.7 12.7 43.0 34.9 109 111 A E H X S+ 0 0 116 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.886 111.6 49.8 -63.2 -35.5 10.4 41.6 32.2 110 112 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.878 110.4 49.5 -72.0 -36.3 12.2 43.7 29.6 111 113 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.943 112.6 46.9 -64.2 -47.6 15.7 42.5 30.9 112 114 A L H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.887 111.5 53.2 -63.9 -34.5 14.5 38.8 30.7 113 115 A Y H X S+ 0 0 72 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.947 109.2 47.0 -64.7 -47.1 13.1 39.5 27.2 114 116 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.888 113.2 49.2 -64.0 -41.4 16.4 41.0 25.9 115 117 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.940 110.4 50.3 -62.0 -49.2 18.3 38.0 27.4 116 118 A E H X S+ 0 0 111 -4,-2.7 4,-1.8 1,-0.2 7,-0.2 0.919 113.5 45.8 -54.0 -45.8 15.9 35.5 25.8 117 119 A K H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.5 43.5 -70.0 -33.9 16.3 37.2 22.4 118 120 A S H < S+ 0 0 42 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.868 121.3 37.6 -75.1 -40.7 20.1 37.4 22.6 119 121 A L H >< S+ 0 0 19 -4,-3.1 3,-2.5 1,-0.2 -2,-0.2 0.684 79.6 174.6 -88.0 -18.6 20.7 33.9 24.0 120 122 A G G >< S+ 0 0 38 -4,-1.8 3,-2.6 -5,-0.3 -1,-0.2 -0.206 76.8 6.8 45.2-123.1 18.1 32.0 22.0 121 123 A P G 3 S+ 0 0 127 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.779 127.9 66.7 -56.6 -26.1 18.5 28.2 22.7 122 124 A D G < S+ 0 0 119 -3,-2.5 2,-1.7 1,-0.2 -2,-0.2 0.561 74.6 90.5 -73.4 -8.9 21.1 29.2 25.4 123 125 A F < - 0 0 29 -3,-2.6 -1,-0.2 -7,-0.2 -3,-0.1 -0.587 66.3-177.2 -88.0 76.3 18.4 30.9 27.6 124 126 A T >> - 0 0 59 -2,-1.7 4,-2.6 1,-0.1 3,-0.9 -0.339 41.2-108.6 -74.0 157.7 17.6 27.8 29.6 125 127 A P H 3> S+ 0 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.848 123.5 55.4 -60.1 -26.6 14.8 27.9 32.2 126 128 A A H 3> S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.831 107.7 49.4 -69.2 -32.1 17.6 27.6 34.9 127 129 A T H <> S+ 0 0 6 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.908 110.7 49.8 -70.9 -42.3 19.2 30.7 33.3 128 130 A R H X S+ 0 0 79 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.932 112.7 46.8 -55.8 -52.2 15.8 32.5 33.4 129 131 A T H X S+ 0 0 79 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.879 110.9 52.2 -57.6 -45.5 15.3 31.6 37.1 130 132 A A H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.935 112.5 44.2 -60.1 -45.8 18.8 32.7 38.0 131 133 A W H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.878 110.7 56.2 -68.1 -34.4 18.4 36.1 36.3 132 134 A S H X S+ 0 0 63 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.9 42.4 -62.5 -42.4 14.9 36.4 37.9 133 135 A R H X S+ 0 0 163 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.899 114.4 49.1 -75.9 -39.3 16.4 35.9 41.3 134 136 A L H X S+ 0 0 14 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.954 115.8 44.3 -59.6 -49.9 19.5 38.2 40.7 135 137 A Y H X S+ 0 0 29 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.906 110.4 56.0 -62.8 -40.1 17.2 41.0 39.3 136 138 A G H X S+ 0 0 38 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.885 107.8 48.8 -56.1 -41.1 14.7 40.4 42.2 137 139 A A H X S+ 0 0 34 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.839 109.2 52.2 -68.8 -35.2 17.6 41.0 44.7 138 140 A V H X S+ 0 0 13 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.938 112.6 44.4 -65.5 -48.4 18.6 44.2 42.9 139 141 A V H X S+ 0 0 27 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.856 108.5 58.1 -67.5 -35.1 15.1 45.6 43.1 140 142 A Q H X S+ 0 0 142 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.969 110.2 43.9 -55.3 -53.3 14.7 44.5 46.7 141 143 A A H >< S+ 0 0 16 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.897 114.8 49.4 -56.6 -44.1 17.8 46.6 47.6 142 144 A M H >< S+ 0 0 9 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.842 98.3 68.3 -64.8 -32.9 16.5 49.5 45.4 143 145 A S H >< S+ 0 0 35 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.757 83.2 72.2 -63.9 -26.5 13.0 49.3 47.1 144 146 A R G X< S+ 0 0 58 -4,-0.8 3,-1.4 -3,-0.7 -1,-0.3 0.784 86.4 67.9 -53.1 -29.7 14.6 50.6 50.3 145 147 A G G < S+ 0 0 3 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.702 88.6 64.9 -65.8 -21.4 14.8 53.9 48.5 146 148 A W G < 0 0 43 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.288 360.0 360.0 -88.6 6.6 11.0 54.2 48.5 147 149 A D < 0 0 162 -3,-1.4 -3,-0.0 -4,-0.1 -55,-0.0 -0.664 360.0 360.0-148.5 360.0 10.7 54.4 52.3