==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 27-FEB-96 1MOH . COMPND 2 MOLECULE: MONOMERIC HEMOGLOBIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: LUCINA PECTINATA; . AUTHOR M.RIZZI,J.B.WITTENBERG,P.ASCENZI,M.BOLOGNESI . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 80.3 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 . 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 59.9 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 2 2 0 1 0 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 1 A S 0 0 168 0, 0.0 2,-0.3 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 -58.8 17.7 19.9 6.7 2 2 A L - 0 0 42 131,-0.0 2,-0.0 128,-0.0 124,-0.0 -0.814 360.0-157.9-142.4 104.7 20.1 17.5 8.5 3 3 A E > - 0 0 105 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.320 30.7-113.9 -79.7 164.3 22.2 18.8 11.4 4 4 A A H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.872 120.3 52.8 -58.7 -40.5 25.4 17.3 12.7 5 5 A A H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 107.9 51.3 -62.0 -40.8 23.5 16.4 16.0 6 6 A Q H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 110.6 47.5 -64.0 -43.6 20.8 14.6 13.9 7 7 A K H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.904 111.4 51.6 -62.9 -47.2 23.4 12.6 12.1 8 8 A S H X S+ 0 0 75 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 109.9 47.8 -58.2 -44.9 25.1 11.7 15.3 9 9 A N H X S+ 0 0 43 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.916 112.5 50.7 -61.8 -45.6 21.9 10.5 17.0 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.940 113.0 45.0 -58.5 -48.3 21.0 8.4 13.9 11 11 A T H X S+ 0 0 62 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.898 116.5 45.2 -62.3 -47.4 24.4 6.7 13.8 12 12 A S H X S+ 0 0 68 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.944 114.7 45.1 -64.0 -48.7 24.5 6.0 17.5 13 13 A S H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.850 111.0 55.9 -65.4 -35.5 21.0 4.7 17.9 14 14 A W H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.910 102.3 55.6 -64.7 -41.9 21.5 2.5 14.8 15 15 A A H X S+ 0 0 62 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.831 109.9 47.7 -55.6 -36.6 24.6 0.9 16.4 16 16 A K H X S+ 0 0 127 -4,-1.2 4,-0.9 104,-0.2 -2,-0.2 0.933 113.2 44.7 -73.7 -47.8 22.4 -0.1 19.3 17 17 A A H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 4,-0.2 0.843 111.0 57.4 -61.8 -34.2 19.5 -1.5 17.2 18 18 A S H >< S+ 0 0 35 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.874 101.4 52.4 -66.3 -38.5 22.1 -3.3 15.1 19 19 A A H 3< S+ 0 0 96 -4,-1.3 -1,-0.2 1,-0.2 3,-0.2 0.776 117.8 40.8 -69.1 -21.9 23.6 -5.2 18.0 20 20 A A T >X S+ 0 0 32 -4,-0.9 4,-3.0 -3,-0.2 3,-1.7 0.319 80.2 111.9-104.1 2.5 20.1 -6.4 18.9 21 21 A W H <> + 0 0 10 -3,-1.0 4,-2.4 1,-0.3 -1,-0.1 0.742 60.1 74.8 -56.4 -25.1 18.8 -7.1 15.3 22 22 A G H 34 S+ 0 0 74 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.862 120.1 15.5 -56.4 -35.7 18.6 -10.9 15.8 23 23 A T H <> S+ 0 0 96 -3,-1.7 4,-0.8 2,-0.1 -2,-0.2 0.774 128.2 53.7-107.3 -33.4 15.5 -10.3 17.8 24 24 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -7,-0.2 -3,-0.2 0.854 97.0 65.4 -71.6 -38.3 14.6 -6.7 16.9 25 25 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.941 104.0 44.6 -47.2 -53.2 14.5 -7.2 13.1 26 26 A P H > S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.850 111.5 54.0 -64.7 -30.6 11.6 -9.5 13.1 27 27 A E H X S+ 0 0 83 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.901 106.7 51.7 -69.6 -40.6 9.7 -7.3 15.6 28 28 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.970 109.3 50.6 -59.8 -47.2 10.2 -4.3 13.3 29 29 A F H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.891 109.1 51.0 -53.3 -39.9 8.7 -6.4 10.4 30 30 A M H X S+ 0 0 30 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.909 108.3 51.4 -69.1 -37.6 5.7 -7.4 12.5 31 31 A A H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.936 112.4 47.2 -61.6 -45.8 5.1 -3.7 13.4 32 32 A L H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.909 112.7 47.8 -58.5 -47.5 5.2 -2.8 9.8 33 33 A F H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.876 111.8 50.3 -68.2 -36.2 2.9 -5.6 8.6 34 34 A D H < S+ 0 0 116 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.864 114.9 44.2 -69.0 -36.3 0.3 -4.9 11.3 35 35 A A H < S+ 0 0 60 -4,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.791 124.7 31.2 -76.5 -34.2 0.3 -1.2 10.4 36 36 A H >X + 0 0 56 -4,-2.3 4,-1.7 -5,-0.2 3,-1.0 -0.785 55.2 179.5-134.2 95.1 0.1 -1.8 6.6 37 37 A D H 3> S+ 0 0 107 -2,-0.4 4,-2.2 -3,-0.3 -1,-0.1 0.791 86.2 59.7 -56.6 -33.6 -1.6 -4.8 5.2 38 38 A D H 3> S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.777 104.1 52.5 -69.1 -25.6 -0.8 -3.8 1.6 39 39 A V H X4 S+ 0 0 15 -3,-1.0 3,-0.9 -7,-0.2 4,-0.3 0.907 106.7 51.8 -75.0 -43.4 2.9 -3.9 2.5 40 40 A F H >< S+ 0 0 24 -4,-1.7 3,-2.6 -7,-0.3 4,-0.3 0.923 100.8 64.5 -58.5 -43.1 2.4 -7.5 3.9 41 41 A A H >< S+ 0 0 48 -4,-2.2 3,-1.4 1,-0.3 4,-0.3 0.795 91.3 63.2 -49.5 -32.9 0.8 -8.5 0.6 42 42 A K T << S+ 0 0 107 -3,-0.9 -1,-0.3 -4,-0.6 3,-0.2 0.646 100.0 53.5 -73.5 -9.8 3.9 -7.9 -1.3 43 43 A F T <> S+ 0 0 44 -3,-2.6 4,-2.3 -4,-0.3 -1,-0.3 0.351 72.6 107.4-103.9 6.2 5.7 -10.6 0.6 44 44 A S T <4>S+ 0 0 69 -3,-1.4 5,-2.3 1,-0.3 4,-0.3 0.845 81.0 52.7 -53.8 -34.5 3.1 -13.4 -0.1 45 45 A G T >45S+ 0 0 62 -4,-0.3 3,-1.0 -3,-0.2 -1,-0.3 0.939 108.6 46.8 -68.1 -47.2 5.6 -15.0 -2.4 46 46 A L T 345S+ 0 0 63 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.877 118.7 41.1 -63.2 -36.6 8.4 -15.1 0.1 47 47 A F T ><5S- 0 0 12 -4,-2.3 3,-1.6 3,-0.1 -1,-0.2 0.266 107.5-122.9 -96.0 4.8 6.1 -16.5 2.9 48 48 A S T < 5 - 0 0 109 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.875 68.2 -52.4 55.3 47.0 4.3 -18.9 0.6 49 49 A G T 3 - 0 0 66 1,-0.1 3,-1.9 3,-0.1 4,-0.4 -0.397 29.9-114.9 -71.7 148.1 -1.0 -15.7 7.3 52 52 A K G > S+ 0 0 43 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.844 112.3 61.7 -50.3 -42.9 0.8 -12.7 8.9 53 53 A G G 3 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.738 103.2 51.7 -61.1 -21.7 0.4 -13.9 12.4 54 54 A T G < S+ 0 0 92 -3,-1.9 3,-0.3 1,-0.1 -1,-0.2 0.504 91.0 75.4 -94.7 -3.1 2.5 -17.0 11.6 55 55 A V X + 0 0 1 -3,-1.3 3,-1.9 -4,-0.4 6,-0.3 0.663 60.4 93.2 -86.2 -18.7 5.6 -15.5 10.0 56 56 A K T 3 S+ 0 0 83 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.789 93.2 36.5 -48.4 -40.3 7.8 -14.0 12.8 57 57 A N T 3 S+ 0 0 149 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.247 88.6 122.3 -99.8 14.8 10.0 -16.9 13.6 58 58 A T S <> S- 0 0 34 -3,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.293 71.6-122.3 -71.5 159.1 10.4 -18.3 10.0 59 59 A P H > S+ 0 0 99 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.873 116.0 57.2 -68.0 -32.3 13.8 -18.7 8.4 60 60 A E H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 104.5 52.0 -61.9 -47.6 12.5 -16.4 5.6 61 61 A M H > S+ 0 0 0 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.912 108.9 50.9 -52.0 -44.7 11.7 -13.7 8.2 62 62 A A H X S+ 0 0 60 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.875 110.3 47.1 -63.2 -40.8 15.3 -14.0 9.5 63 63 A A H X S+ 0 0 51 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.915 111.6 52.2 -69.4 -39.8 16.9 -13.7 6.0 64 64 A Q H X S+ 0 0 55 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.874 107.4 51.6 -69.8 -32.6 14.7 -10.7 5.2 65 65 A A H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.894 109.0 50.9 -71.7 -31.0 15.7 -8.9 8.4 66 66 A Q H X S+ 0 0 145 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.851 108.6 52.0 -71.2 -31.8 19.3 -9.4 7.6 67 67 A S H X S+ 0 0 67 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.933 109.1 49.6 -66.6 -48.3 18.8 -7.9 4.1 68 68 A F H >X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 3,-0.5 0.939 110.0 52.4 -53.5 -47.0 17.1 -4.8 5.6 69 69 A K H 3X S+ 0 0 73 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.820 102.9 56.5 -64.0 -35.2 19.9 -4.3 8.0 70 70 A G H 3X S+ 0 0 40 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.857 111.1 41.7 -70.4 -31.8 22.7 -4.5 5.5 71 71 A L H < S+ 0 0 13 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.927 110.8 50.9 -61.0 -43.7 23.2 4.5 4.2 76 76 A V H >< S+ 0 0 11 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.797 105.4 56.6 -67.8 -26.8 24.0 5.4 7.9 77 77 A D T 3< S+ 0 0 123 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.534 110.2 44.6 -79.8 -5.5 27.7 5.1 7.2 78 78 A N T X + 0 0 42 -3,-1.6 3,-1.9 -4,-0.3 7,-0.4 -0.062 65.4 128.3-131.4 29.5 27.6 7.6 4.4 79 79 A L T < S+ 0 0 26 -3,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.727 79.1 48.8 -63.1 -23.4 25.4 10.5 5.7 80 80 A D T 3 S+ 0 0 139 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.278 101.2 76.3 -94.4 10.8 28.1 13.1 4.8 81 81 A N <> + 0 0 78 -3,-1.9 4,-2.4 1,-0.1 3,-0.3 -0.724 49.4 174.0-128.4 83.0 28.4 11.6 1.2 82 82 A A H > S+ 0 0 70 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.841 81.5 58.3 -57.2 -38.5 25.6 12.5 -1.1 83 83 A G H > S+ 0 0 58 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 108.7 44.7 -57.7 -44.5 27.3 10.8 -4.1 84 84 A A H > S+ 0 0 32 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.926 111.8 53.1 -67.6 -44.2 27.4 7.4 -2.3 85 85 A L H X S+ 0 0 15 -4,-2.4 4,-2.9 -7,-0.4 -2,-0.2 0.908 105.6 54.1 -55.4 -47.0 23.8 7.7 -1.1 86 86 A E H X S+ 0 0 106 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.887 107.4 50.7 -56.9 -45.8 22.5 8.4 -4.6 87 87 A G H X S+ 0 0 33 -4,-1.5 4,-1.6 2,-0.2 3,-0.2 0.955 113.6 42.3 -60.8 -49.5 24.2 5.2 -5.9 88 88 A Q H X S+ 0 0 75 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.913 112.7 55.8 -62.3 -40.9 22.7 2.9 -3.3 89 89 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.836 103.6 54.6 -59.5 -34.4 19.4 4.7 -3.6 90 90 A K H X S+ 0 0 98 -4,-1.8 4,-2.5 -3,-0.2 -1,-0.2 0.927 109.9 44.2 -68.3 -43.9 19.2 4.0 -7.3 91 91 A T H X S+ 0 0 83 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.944 114.3 51.6 -63.5 -46.2 19.7 0.3 -7.1 92 92 A F H X S+ 0 0 28 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.914 111.9 45.3 -56.4 -49.7 17.3 0.1 -4.2 93 93 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.930 111.0 52.4 -63.9 -43.6 14.6 2.0 -6.1 94 94 A A H X S+ 0 0 56 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.930 111.0 47.5 -59.9 -46.2 15.0 0.0 -9.3 95 95 A N H < S+ 0 0 84 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.897 116.0 42.8 -64.1 -41.8 14.6 -3.3 -7.5 96 96 A H H ><>S+ 0 0 50 -4,-2.0 3,-1.7 -5,-0.2 5,-1.6 0.890 110.5 54.9 -74.8 -38.0 11.5 -2.3 -5.5 97 97 A K H ><5S+ 0 0 82 -4,-2.8 3,-2.7 1,-0.3 -1,-0.2 0.896 99.6 62.8 -56.7 -40.5 9.8 -0.5 -8.4 98 98 A A T 3<5S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.681 98.6 56.6 -60.9 -14.5 10.1 -3.7 -10.4 99 99 A R T < 5S- 0 0 143 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.259 120.5-107.3 -99.2 7.0 7.9 -5.4 -7.8 100 100 A G T < 5 + 0 0 46 -3,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.767 68.5 152.8 76.6 20.8 5.1 -2.9 -8.3 101 101 A I < - 0 0 23 -5,-1.6 -1,-0.3 -59,-0.0 2,-0.1 -0.731 37.2-133.3 -90.0 135.0 5.9 -1.2 -4.9 102 102 A S > - 0 0 53 -2,-0.4 4,-1.5 -3,-0.1 5,-0.2 -0.447 17.2-117.9 -86.0 158.1 4.9 2.5 -4.7 103 103 A A H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 116.4 60.3 -58.9 -35.5 6.9 5.4 -3.3 104 104 A G H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 102.5 50.6 -60.2 -39.7 4.1 5.8 -0.7 105 105 A Q H > S+ 0 0 32 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.863 107.8 51.5 -67.9 -37.1 4.8 2.3 0.6 106 106 A L H X S+ 0 0 12 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.911 109.4 52.3 -62.5 -41.2 8.5 3.0 1.0 107 107 A E H X S+ 0 0 80 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.892 103.9 55.9 -62.3 -38.8 7.6 6.1 2.9 108 108 A A H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.904 106.0 52.8 -62.1 -40.1 5.3 4.1 5.2 109 109 A A H X S+ 0 0 21 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.902 107.4 49.4 -63.4 -44.0 8.3 1.9 6.1 110 110 A F H X S+ 0 0 27 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.906 109.7 53.2 -64.4 -35.2 10.5 4.8 7.0 111 111 A K H X S+ 0 0 142 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.939 110.1 46.0 -62.1 -51.2 7.7 6.2 9.2 112 112 A V H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.945 112.9 51.5 -58.8 -42.7 7.4 2.9 11.2 113 113 A L H X S+ 0 0 3 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.871 105.1 54.5 -62.3 -38.5 11.1 2.7 11.5 114 114 A S H < S+ 0 0 3 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.967 112.4 44.7 -63.4 -42.4 11.5 6.2 12.9 115 115 A G H >< S+ 0 0 24 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.866 111.7 53.1 -61.8 -42.7 8.9 5.4 15.6 116 116 A F H >< S+ 0 0 36 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.807 97.6 65.5 -64.6 -32.8 10.6 2.0 16.3 117 117 A M G ><>S+ 0 0 0 -4,-1.8 5,-2.4 -3,-0.3 3,-2.0 0.633 77.3 83.8 -71.0 -9.6 14.0 3.6 16.9 118 118 A K G X 5S+ 0 0 109 -3,-1.0 3,-1.6 -4,-0.4 -1,-0.2 0.875 84.2 62.2 -62.1 -30.8 12.8 5.4 20.0 119 119 A S G < 5S+ 0 0 100 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.634 102.4 48.8 -64.1 -22.5 13.6 2.2 21.8 120 120 A Y G < 5S- 0 0 48 -3,-2.0 -1,-0.3 -4,-0.1 -104,-0.2 0.130 131.4 -89.0-107.5 21.9 17.2 2.4 20.9 121 121 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.547 77.2 156.2 83.9 11.2 17.6 6.1 22.0 122 122 A G < - 0 0 9 -5,-2.4 2,-0.7 -109,-0.1 -1,-0.3 -0.461 43.6-132.7 -72.5 139.1 16.6 7.4 18.6 123 123 A D >> - 0 0 82 -2,-0.2 4,-2.3 1,-0.2 3,-0.5 -0.827 12.9-146.5 -87.3 119.4 15.2 10.9 18.2 124 124 A E H 3> S+ 0 0 78 -2,-0.7 4,-2.3 1,-0.3 -1,-0.2 0.841 98.5 54.8 -60.8 -31.7 12.2 10.5 16.0 125 125 A G H 3> S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.889 107.7 49.6 -69.8 -37.9 12.7 13.9 14.5 126 126 A A H <> S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.923 112.1 47.9 -64.4 -43.2 16.3 12.9 13.5 127 127 A W H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.885 110.8 52.1 -62.8 -40.5 15.0 9.6 11.9 128 128 A T H X S+ 0 0 71 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.878 109.1 50.0 -65.7 -35.4 12.3 11.6 10.0 129 129 A A H X S+ 0 0 22 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.887 109.9 49.7 -69.4 -43.8 14.9 14.0 8.6 130 130 A V H X S+ 0 0 8 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.938 111.1 50.5 -61.5 -41.4 17.1 11.2 7.4 131 131 A A H X S+ 0 0 13 -4,-2.2 4,-2.8 1,-0.3 -2,-0.2 0.898 107.8 52.7 -65.9 -39.3 14.1 9.6 5.8 132 132 A G H X S+ 0 0 48 -4,-2.0 4,-1.3 2,-0.2 -1,-0.3 0.903 110.0 48.2 -65.2 -41.7 13.2 12.9 4.1 133 133 A A H X S+ 0 0 52 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.934 114.3 45.9 -65.8 -44.3 16.7 13.2 2.6 134 134 A L H >X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 3,-1.4 0.936 109.8 53.5 -59.5 -46.3 16.7 9.6 1.3 135 135 A M H 3X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.797 101.4 61.2 -60.6 -28.3 13.2 9.8 -0.2 136 136 A G H 3< S+ 0 0 48 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.774 109.3 41.8 -70.4 -26.7 14.4 12.9 -2.1 137 137 A E H << S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.781 120.8 42.5 -87.8 -26.6 16.9 10.7 -3.8 138 138 A I H >< S+ 0 0 0 -4,-2.0 3,-2.3 1,-0.1 -2,-0.2 0.884 99.7 65.6 -84.1 -44.3 14.5 7.7 -4.3 139 139 A E G >< S+ 0 0 101 -4,-2.6 3,-2.3 1,-0.3 -1,-0.1 0.872 93.1 61.6 -51.9 -44.5 11.3 9.3 -5.4 140 140 A P G 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.680 107.7 46.8 -61.2 -13.3 12.7 10.5 -8.7 141 141 A D G < 0 0 59 -3,-2.3 -2,-0.2 -4,-0.1 -44,-0.1 0.322 360.0 360.0-107.9 5.1 13.4 6.9 -9.6 142 142 A M < 0 0 107 -3,-2.3 -3,-0.1 -4,-0.2 -40,-0.0 0.622 360.0 360.0-108.3 360.0 10.0 5.5 -8.6