==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 06-NOV-98 1B0B . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LUCINA PECTINATA; . AUTHOR C.ROSANO,M.RIZZI,P.ASCENZI,M.BOLOGNESI . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 81.7 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 . 24 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 219 0, 0.0 2,-0.3 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 -12.2 1.7 19.9 13.1 2 2 A L - 0 0 34 130,-0.1 2,-0.1 131,-0.0 124,-0.1 -0.825 360.0-158.2-146.8 98.6 -0.7 17.2 11.7 3 3 A S > - 0 0 45 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.401 28.7-115.9 -78.1 162.2 -2.9 18.3 8.8 4 4 A A H > S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.889 118.7 51.6 -58.0 -39.5 -6.2 16.8 7.6 5 5 A A H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.818 107.9 51.0 -65.0 -44.6 -4.5 15.9 4.3 6 6 A Q H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 111.6 48.2 -59.1 -45.7 -1.6 14.2 6.1 7 7 A K H X S+ 0 0 38 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.905 110.7 50.8 -59.0 -46.1 -4.0 12.1 8.2 8 8 A D H X S+ 0 0 84 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.896 110.9 48.6 -58.9 -45.2 -6.0 11.2 5.1 9 9 A N H X S+ 0 0 42 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.894 111.4 49.8 -60.8 -44.5 -2.8 10.1 3.3 10 10 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.941 113.6 46.0 -60.7 -46.3 -1.7 8.0 6.3 11 11 A K H X S+ 0 0 78 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.922 116.7 43.4 -61.0 -44.6 -5.1 6.3 6.5 12 12 A S H X S+ 0 0 75 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.879 116.3 45.5 -73.1 -41.7 -5.4 5.6 2.8 13 13 A S H X S+ 0 0 3 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.906 110.2 55.3 -70.9 -34.6 -1.9 4.4 2.4 14 14 A W H X S+ 0 0 8 -4,-2.7 4,-3.1 -5,-0.3 5,-0.3 0.901 103.2 56.7 -59.9 -38.6 -2.2 2.3 5.5 15 15 A A H X S+ 0 0 63 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.910 109.0 47.1 -57.6 -40.3 -5.2 0.7 3.9 16 16 A K H X S+ 0 0 134 -4,-1.3 4,-1.2 104,-0.2 -2,-0.2 0.936 114.7 43.6 -69.7 -46.1 -3.1 -0.3 1.0 17 17 A A H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.914 111.1 55.8 -65.1 -40.7 -0.2 -1.7 3.0 18 18 A S H >< S+ 0 0 24 -4,-3.1 3,-1.2 1,-0.2 4,-0.3 0.914 103.5 54.5 -57.9 -41.3 -2.6 -3.5 5.3 19 19 A A H 3< S+ 0 0 92 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.2 0.842 118.3 35.8 -62.2 -31.7 -4.2 -5.3 2.3 20 20 A A H >X S+ 0 0 34 -4,-1.2 4,-2.8 -3,-0.4 3,-2.0 0.354 84.5 110.6-100.0 7.2 -0.7 -6.5 1.4 21 21 A W H S+ 0 0 105 -3,-2.0 4,-1.1 2,-0.1 -2,-0.2 0.748 129.4 51.8-111.9 -38.9 3.8 -10.3 2.4 24 24 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 -7,-0.2 -3,-0.2 0.829 99.8 62.3 -71.5 -32.8 4.7 -6.7 3.1 25 25 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.959 103.3 48.2 -63.0 -49.4 4.9 -6.9 6.9 26 26 A P H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.890 112.5 51.5 -56.1 -36.0 7.8 -9.5 6.8 27 27 A E H X S+ 0 0 93 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.914 107.5 51.0 -67.5 -39.6 9.5 -7.2 4.4 28 28 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.939 110.2 50.0 -60.2 -49.1 9.1 -4.2 6.6 29 29 A F H X S+ 0 0 3 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.915 109.3 51.3 -59.0 -40.1 10.6 -6.1 9.6 30 30 A M H X S+ 0 0 24 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.928 109.8 49.6 -65.7 -34.5 13.5 -7.2 7.5 31 31 A A H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 113.2 47.9 -65.5 -41.1 14.2 -3.5 6.5 32 32 A L H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 7,-0.2 0.933 113.4 46.2 -62.3 -48.4 13.9 -2.6 10.1 33 33 A F H < S+ 0 0 0 -4,-3.1 7,-0.2 1,-0.2 -1,-0.2 0.881 111.9 50.9 -64.2 -41.3 16.3 -5.3 11.2 34 34 A D H < S+ 0 0 114 -4,-2.7 3,-0.3 -5,-0.2 -1,-0.2 0.894 115.8 42.4 -64.9 -33.2 18.8 -4.5 8.5 35 35 A A H < S+ 0 0 60 -4,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.736 126.8 29.8 -80.9 -30.0 18.8 -0.8 9.4 36 36 A H >X - 0 0 54 -4,-1.9 4,-1.7 -5,-0.2 3,-1.2 -0.762 58.8-179.0-138.8 87.2 18.9 -1.4 13.2 37 37 A D H 3> S+ 0 0 98 -2,-0.3 4,-2.2 -3,-0.3 -1,-0.1 0.829 86.0 61.1 -59.5 -29.9 20.6 -4.5 14.4 38 38 A D H 3> S+ 0 0 78 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.777 100.5 54.0 -69.6 -25.4 19.8 -3.6 18.0 39 39 A V H X4 S+ 0 0 11 -3,-1.2 3,-1.0 -7,-0.2 4,-0.5 0.937 107.5 50.0 -68.9 -44.9 16.1 -3.7 17.2 40 40 A F H >< S+ 0 0 20 -4,-1.7 3,-2.3 1,-0.3 -2,-0.2 0.933 102.4 63.6 -60.6 -33.8 16.5 -7.2 15.8 41 41 A A H >< S+ 0 0 47 -4,-2.2 3,-1.5 1,-0.3 4,-0.3 0.806 94.4 58.4 -60.0 -35.5 18.3 -8.1 19.1 42 42 A K T << S+ 0 0 95 -3,-1.0 -1,-0.3 -4,-0.8 3,-0.2 0.616 102.8 56.0 -70.9 -11.7 15.2 -7.5 21.2 43 43 A F T <> S+ 0 0 41 -3,-2.3 4,-2.5 -4,-0.5 -1,-0.3 0.268 74.6 104.6 -99.5 11.6 13.4 -10.2 19.1 44 44 A S T <4>S+ 0 0 61 -3,-1.5 5,-2.1 1,-0.2 4,-0.4 0.875 79.3 50.8 -74.5 -17.8 15.9 -12.9 19.8 45 45 A G T >45S+ 0 0 60 -4,-0.3 3,-1.5 -3,-0.2 -1,-0.2 0.991 110.4 47.8 -75.6 -43.9 13.6 -14.6 22.2 46 46 A L T 345S+ 0 0 59 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.902 116.6 43.5 -54.7 -50.8 10.7 -14.6 19.7 47 47 A F T ><5S- 0 0 10 -4,-2.5 3,-1.6 3,-0.1 -1,-0.3 0.347 109.8-124.1 -85.9 12.0 13.0 -16.0 17.0 48 48 A S T < 5 - 0 0 100 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.873 68.8 -53.1 46.7 47.4 14.7 -18.5 19.4 49 49 A G T 3 - 0 0 65 1,-0.1 3,-2.4 3,-0.1 4,-0.4 -0.392 31.0-114.3 -72.1 148.1 20.2 -15.4 12.7 52 52 A K G > S+ 0 0 42 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.869 112.2 63.4 -50.9 -40.7 18.5 -12.4 11.0 53 53 A G G 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.576 104.6 47.4 -71.0 0.3 18.9 -13.8 7.6 54 54 A T G < S+ 0 0 90 -3,-2.4 3,-0.3 1,-0.1 -1,-0.3 0.462 92.5 76.0-111.7 -6.2 16.7 -16.8 8.4 55 55 A V X + 0 0 1 -3,-1.5 3,-1.7 -4,-0.4 6,-0.3 0.630 64.5 88.4 -91.7 -15.7 13.7 -15.2 10.1 56 56 A K T 3 S+ 0 0 65 -4,-0.4 -1,-0.2 1,-0.3 -27,-0.1 0.824 95.9 37.3 -54.7 -46.6 11.6 -13.7 7.3 57 57 A N T 3 S+ 0 0 150 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.206 91.1 119.7 -99.8 28.8 9.5 -16.7 6.4 58 58 A T S <> S- 0 0 33 -3,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.379 73.1-121.0 -85.8 158.4 9.0 -18.0 9.9 59 59 A P H > S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.887 114.5 58.2 -63.4 -33.2 5.7 -18.5 11.7 60 60 A E H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 104.7 50.1 -63.7 -40.1 6.9 -16.1 14.4 61 61 A M H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.916 108.3 52.0 -64.6 -42.8 7.5 -13.4 11.8 62 62 A A H X S+ 0 0 62 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.933 112.9 46.0 -61.1 -40.4 4.0 -13.9 10.4 63 63 A A H X S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 112.4 50.1 -65.9 -42.1 2.5 -13.5 13.9 64 64 A Q H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.910 106.8 53.8 -66.3 -39.9 4.7 -10.4 14.6 65 65 A A H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.927 110.2 49.3 -59.4 -39.1 3.7 -8.7 11.4 66 66 A Q H X S+ 0 0 149 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.898 110.2 50.4 -65.8 -41.1 0.0 -9.3 12.5 67 67 A S H X S+ 0 0 70 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.945 111.5 47.0 -61.6 -50.2 0.7 -7.9 16.0 68 68 A F H X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.944 111.6 51.9 -57.0 -47.2 2.4 -4.7 14.6 69 69 A K H X S+ 0 0 63 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.851 101.3 60.1 -59.1 -42.5 -0.4 -4.1 12.1 70 70 A G H X S+ 0 0 45 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.892 109.5 41.9 -60.0 -36.7 -3.2 -4.4 14.6 71 71 A L H X S+ 0 0 37 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.932 113.0 51.6 -76.9 -41.2 -1.8 -1.4 16.6 72 72 A V H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.931 109.1 52.9 -61.5 -39.1 -1.0 0.7 13.6 73 73 A S H X S+ 0 0 26 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.899 108.3 50.5 -60.8 -40.4 -4.5 0.2 12.3 74 74 A N H < S+ 0 0 52 -4,-1.4 4,-0.4 -5,-0.2 -2,-0.2 0.960 112.7 46.0 -64.2 -42.3 -5.9 1.3 15.7 75 75 A W H >< S+ 0 0 10 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.954 112.1 49.2 -59.3 -52.4 -3.8 4.5 15.6 76 76 A V H >< S+ 0 0 3 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.807 106.8 56.6 -68.4 -20.5 -4.6 5.4 12.0 77 77 A D T 3< S+ 0 0 124 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.560 111.6 44.3 -83.4 -4.7 -8.3 4.9 12.6 78 78 A N T X + 0 0 45 -3,-2.0 3,-2.1 -4,-0.4 7,-0.3 -0.064 65.2 133.3-130.3 33.7 -8.2 7.5 15.5 79 79 A L T < S+ 0 0 14 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.599 77.0 49.3 -72.8 -5.4 -6.1 10.4 14.2 80 80 A D T 3 S+ 0 0 140 1,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.270 98.1 79.7-103.9 11.6 -8.6 13.0 15.3 81 81 A N <> + 0 0 75 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.790 49.8 176.7-128.5 81.5 -8.9 11.5 18.8 82 82 A A H > S+ 0 0 54 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.883 83.0 53.3 -53.6 -40.7 -6.0 12.4 21.1 83 83 A G H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 110.2 45.7 -66.3 -37.6 -7.5 10.6 24.1 84 84 A A H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.903 114.5 49.1 -67.9 -42.1 -7.9 7.4 22.2 85 85 A L H X S+ 0 0 9 -4,-2.6 4,-2.5 -7,-0.3 -2,-0.2 0.941 110.0 51.5 -62.5 -42.4 -4.4 7.7 20.8 86 86 A E H X S+ 0 0 108 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.868 108.1 52.3 -61.0 -44.6 -3.0 8.4 24.2 87 87 A G H X S+ 0 0 40 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.951 111.7 44.5 -62.5 -42.3 -4.7 5.4 25.7 88 88 A Q H X S+ 0 0 69 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 113.3 51.6 -67.9 -39.2 -3.3 3.0 23.1 89 89 A C H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.847 104.2 57.8 -61.9 -40.1 0.2 4.6 23.4 90 90 A K H X S+ 0 0 140 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 110.0 42.8 -61.9 -44.4 0.3 4.2 27.2 91 91 A T H X S+ 0 0 84 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.950 115.6 49.4 -64.6 -44.7 -0.2 0.4 26.9 92 92 A F H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.927 111.8 48.3 -60.1 -47.9 2.2 0.1 24.1 93 93 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.907 109.6 51.9 -59.0 -48.8 4.9 2.1 25.9 94 94 A A H X S+ 0 0 54 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.934 111.8 46.8 -59.5 -42.9 4.5 0.2 29.1 95 95 A N H X S+ 0 0 87 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.884 117.1 41.5 -64.1 -41.5 4.9 -3.1 27.3 96 96 A H H ><>S+ 0 0 45 -4,-2.3 5,-1.7 2,-0.2 3,-1.2 0.924 111.4 55.1 -79.3 -34.1 7.9 -2.1 25.3 97 97 A K H ><5S+ 0 0 110 -4,-3.3 3,-2.1 1,-0.3 -2,-0.2 0.891 102.7 58.6 -57.6 -41.3 9.6 -0.2 28.2 98 98 A A H 3<5S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.760 101.1 56.3 -65.5 -18.2 9.3 -3.4 30.2 99 99 A R T <<5S- 0 0 144 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.366 121.6-106.7 -85.5 -4.0 11.4 -5.1 27.5 100 100 A G T < 5 + 0 0 56 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.637 70.0 151.4 84.7 11.2 14.3 -2.6 27.9 101 101 A I < - 0 0 21 -5,-1.7 -1,-0.3 1,-0.1 2,-0.2 -0.589 36.6-136.2 -77.8 137.8 13.3 -1.0 24.6 102 102 A S > - 0 0 54 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.579 19.3-116.3 -92.0 161.6 14.1 2.7 24.3 103 103 A A H > S+ 0 0 20 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.907 117.2 58.2 -59.9 -34.8 12.1 5.6 23.0 104 104 A G H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 102.5 52.1 -68.6 -32.2 14.8 6.0 20.3 105 105 A Q H > S+ 0 0 27 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 110.0 48.7 -68.3 -36.2 14.3 2.4 19.1 106 106 A L H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.928 110.3 52.1 -66.8 -42.5 10.5 3.0 18.7 107 107 A E H X S+ 0 0 89 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.885 106.6 53.9 -59.9 -37.5 11.4 6.2 16.8 108 108 A A H X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.891 106.5 51.7 -63.8 -42.3 13.6 4.2 14.5 109 109 A A H X S+ 0 0 19 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.930 109.5 49.2 -60.3 -44.6 10.8 1.8 13.7 110 110 A F H X S+ 0 0 25 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.870 110.8 51.2 -61.6 -35.1 8.5 4.8 12.9 111 111 A K H X S+ 0 0 155 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 110.9 46.9 -71.1 -41.2 11.3 6.2 10.6 112 112 A V H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.941 113.6 49.9 -64.0 -42.6 11.7 2.9 8.8 113 113 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 105.0 56.9 -61.1 -44.2 7.9 2.7 8.4 114 114 A A H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.920 113.4 40.0 -58.3 -41.7 7.5 6.2 7.1 115 115 A G H >< S+ 0 0 25 -4,-1.8 3,-1.4 1,-0.2 4,-0.3 0.904 112.5 54.9 -73.7 -35.9 9.9 5.4 4.2 116 116 A F H >< S+ 0 0 37 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.864 99.5 63.3 -61.3 -34.6 8.5 1.9 3.6 117 117 A M G ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.3 3,-2.0 0.601 78.6 83.6 -71.6 -11.0 5.1 3.4 3.2 118 118 A K G X 5S+ 0 0 125 -3,-1.4 3,-1.1 -4,-0.3 -1,-0.3 0.824 84.6 61.1 -59.1 -26.7 6.2 5.4 0.1 119 119 A S G < 5S+ 0 0 101 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.609 102.8 50.4 -77.5 -10.2 5.5 2.1 -1.8 120 120 A Y G < 5S- 0 0 52 -3,-2.0 -1,-0.3 -4,-0.1 -104,-0.2 -0.110 131.9 -86.7-115.6 27.0 1.8 2.3 -0.8 121 121 A G T < 5S+ 0 0 53 -3,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.595 78.8 155.6 78.2 4.0 1.2 5.9 -1.8 122 122 A G < - 0 0 10 -5,-2.3 2,-0.7 -109,-0.1 -1,-0.3 -0.508 45.1-135.2 -68.3 138.6 2.4 7.2 1.5 123 123 A D >> - 0 0 81 -2,-0.2 4,-2.1 1,-0.2 3,-0.8 -0.859 14.2-148.3 -84.2 109.5 3.7 10.7 1.8 124 124 A E H 3> S+ 0 0 74 -2,-0.7 4,-2.5 1,-0.3 -1,-0.2 0.863 98.3 56.8 -54.2 -32.3 6.8 10.2 4.0 125 125 A G H 3> S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.831 105.9 49.7 -67.0 -33.8 6.2 13.6 5.5 126 126 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.923 111.1 47.5 -70.2 -45.1 2.7 12.6 6.6 127 127 A W H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.908 111.3 53.4 -63.1 -33.6 3.9 9.4 8.2 128 128 A T H X S+ 0 0 77 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.900 108.6 48.9 -64.7 -42.1 6.6 11.5 9.9 129 129 A A H X S+ 0 0 18 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.909 112.5 47.1 -64.9 -43.8 4.0 13.9 11.2 130 130 A V H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.947 112.7 49.7 -63.9 -43.6 1.8 11.1 12.6 131 131 A A H X S+ 0 0 12 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.895 108.4 53.3 -61.4 -38.0 4.9 9.4 14.2 132 132 A G H X S+ 0 0 44 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.894 109.3 49.0 -64.4 -42.9 5.9 12.7 15.8 133 133 A A H X S+ 0 0 36 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.952 114.3 44.8 -61.2 -46.0 2.4 13.0 17.3 134 134 A L H >X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 3,-1.1 0.941 110.4 53.7 -66.3 -41.4 2.5 9.5 18.6 135 135 A M H 3X S+ 0 0 2 -4,-3.2 4,-3.0 1,-0.3 -1,-0.2 0.868 101.6 60.2 -63.2 -31.5 6.1 9.9 20.0 136 136 A G H 3< S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.818 111.9 40.0 -63.9 -27.5 5.0 13.0 21.9 137 137 A M H << S+ 0 0 41 -3,-1.1 4,-0.2 -4,-1.0 -2,-0.2 0.798 120.2 45.1 -82.4 -38.3 2.6 10.7 23.7 138 138 A I H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.1 4,-0.3 0.908 99.1 65.7 -74.8 -49.8 5.0 7.8 24.0 139 139 A R G >< S+ 0 0 113 -4,-3.0 3,-2.1 1,-0.3 -1,-0.1 0.833 94.7 57.3 -48.6 -45.7 8.2 9.4 25.2 140 140 A P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.747 110.2 48.3 -59.0 -23.4 6.9 10.6 28.6 141 141 A D G < 0 0 75 -3,-2.0 -2,-0.2 -4,-0.2 -44,-0.1 0.363 360.0 360.0-100.2 9.3 6.1 7.0 29.3 142 142 A M < 0 0 55 -3,-2.1 -40,-0.1 -4,-0.3 -48,-0.1 -0.224 360.0 360.0-105.5 360.0 9.4 5.5 28.2