==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 20-FEB-06 2G3H . COMPND 2 MOLECULE: GLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.DE SANCTIS,P.ASCENZI,A.BOCEDI,S.DEWILDE,T.BURMESTER, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 79.1 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 1.3 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 . 1 0.7 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 . 22 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 0 0 0 0 0 0 2 1 0 1 0 2 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 1 A M 0 0 96 0, 0.0 2,-0.1 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 161.6 -3.6 -0.3 24.5 2 2 A N > - 0 0 87 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.280 360.0 -95.1 -91.0 174.8 -7.1 -1.6 24.9 3 3 A S H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.880 123.1 51.9 -58.5 -41.9 -9.1 -4.1 22.9 4 4 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 109.6 49.6 -62.0 -41.5 -10.7 -1.4 20.7 5 5 A E H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.917 110.0 50.7 -63.7 -43.6 -7.3 0.1 19.9 6 6 A V H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 109.9 51.7 -59.4 -44.0 -6.0 -3.4 19.0 7 7 A Q H X S+ 0 0 132 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.915 108.7 49.7 -54.4 -51.2 -9.1 -3.9 16.7 8 8 A L H X S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.865 111.2 49.2 -62.4 -38.1 -8.5 -0.5 14.9 9 9 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 112.9 46.6 -69.9 -42.1 -4.8 -1.4 14.3 10 10 A K H X S+ 0 0 73 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.927 115.2 46.3 -63.2 -46.0 -5.6 -4.8 12.9 11 11 A K H >< S+ 0 0 134 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.938 114.9 44.2 -65.1 -48.7 -8.4 -3.5 10.7 12 12 A T H >< S+ 0 0 14 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.814 105.2 63.6 -69.4 -28.9 -6.5 -0.5 9.3 13 13 A W H 3X S+ 0 0 9 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.773 83.7 79.1 -63.6 -24.6 -3.3 -2.6 8.7 14 14 A E H 4 S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 7,-0.3 0.860 115.3 58.0 -62.7 -32.5 -1.0 -1.5 3.5 17 17 A V H 3< S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.722 88.7 74.9 -71.4 -15.8 -0.3 -5.3 4.2 18 18 A A T << S+ 0 0 77 -3,-1.2 -1,-0.3 -4,-0.7 -3,-0.1 0.768 109.6 29.8 -61.7 -25.1 -2.3 -6.2 1.1 19 19 A T S <> S+ 0 0 65 -3,-1.4 4,-2.6 -4,-0.4 -1,-0.3 -0.674 73.9 171.9-133.3 74.4 0.7 -4.9 -0.9 20 20 A P H > S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.898 77.5 47.9 -58.1 -45.3 3.9 -5.6 1.2 21 21 A T H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 115.6 44.6 -59.7 -51.1 6.5 -4.7 -1.4 22 22 A D H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 115.4 47.8 -60.5 -40.7 4.8 -1.4 -2.3 23 23 A S H X S+ 0 0 13 -4,-2.6 4,-1.8 -7,-0.3 -2,-0.2 0.950 114.2 45.1 -68.8 -45.2 4.1 -0.4 1.3 24 24 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.878 110.5 56.3 -63.2 -38.0 7.6 -1.2 2.4 25 25 A A H X S+ 0 0 19 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 0.870 104.7 52.5 -60.6 -39.5 8.9 0.7 -0.7 26 26 A A H X S+ 0 0 30 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.923 110.4 47.7 -62.4 -45.7 7.0 3.8 0.2 27 27 A I H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.959 116.5 42.6 -56.0 -55.4 8.6 3.8 3.7 28 28 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.895 112.8 51.6 -65.2 -44.4 12.1 3.2 2.4 29 29 A T H X S+ 0 0 53 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.933 114.3 43.4 -57.2 -46.0 11.9 5.7 -0.5 30 30 A Q H X S+ 0 0 74 -4,-2.1 4,-2.1 -5,-0.3 5,-0.3 0.917 113.2 52.7 -68.8 -41.2 10.6 8.4 1.8 31 31 A F H X S+ 0 0 12 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.936 114.5 40.7 -54.2 -52.1 13.2 7.6 4.5 32 32 A F H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.0 50.6 -73.2 -34.7 16.1 7.7 2.1 33 33 A N H < S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.842 120.4 35.3 -70.8 -31.6 14.9 10.8 0.2 34 34 A R H < S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.763 136.2 20.8 -89.2 -30.6 14.3 12.8 3.4 35 35 A F >< + 0 0 53 -4,-2.3 3,-1.6 -5,-0.3 4,-0.3 -0.570 67.1 168.1-140.9 67.6 17.2 11.4 5.4 36 36 A P G >> + 0 0 70 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.658 64.9 82.0 -66.4 -15.1 19.8 9.9 3.0 37 37 A S G >4 S+ 0 0 81 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.913 89.3 58.4 -48.4 -40.3 22.5 9.6 5.7 38 38 A N G X4 S+ 0 0 8 -3,-1.6 3,-1.7 1,-0.3 4,-0.4 0.786 90.1 68.9 -64.4 -27.4 20.7 6.4 6.5 39 39 A L G X4 S+ 0 0 11 -3,-1.0 3,-1.6 -4,-0.3 -1,-0.3 0.833 86.9 69.0 -63.0 -27.8 21.1 5.0 3.0 40 40 A E G << S+ 0 0 110 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.693 89.8 62.1 -63.7 -17.7 24.8 4.7 3.8 41 41 A K G < S+ 0 0 86 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.694 93.6 80.9 -76.5 -17.5 24.1 1.9 6.3 42 42 A F S X S- 0 0 44 -3,-1.6 3,-1.8 -4,-0.4 0, 0.0 -0.599 83.2-126.6 -99.8 150.2 22.6 -0.3 3.5 43 43 A P T 3 S+ 0 0 88 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.716 110.4 60.3 -67.3 -19.7 24.5 -2.5 1.0 44 44 A F T > + 0 0 9 1,-0.2 3,-2.1 -5,-0.1 -4,-0.1 0.155 68.5 123.3 -89.5 20.3 22.7 -0.7 -1.9 45 45 A R T < S+ 0 0 95 -3,-1.8 -1,-0.2 1,-0.3 -5,-0.1 0.719 70.0 51.6 -52.3 -31.3 24.1 2.6 -0.8 46 46 A D T 3 S+ 0 0 140 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.491 81.0 106.7 -89.8 -4.4 25.7 3.2 -4.2 47 47 A V S < S- 0 0 32 -3,-2.1 5,-0.1 1,-0.1 -3,-0.0 -0.631 80.4-111.6 -75.8 126.7 22.6 2.6 -6.2 48 48 A P >> - 0 0 58 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.246 20.5-118.4 -58.0 149.8 21.3 6.0 -7.5 49 49 A L T 34 S+ 0 0 69 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.792 114.7 59.4 -58.5 -28.0 18.0 7.2 -6.0 50 50 A E T 34 S+ 0 0 165 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.706 113.8 36.1 -71.4 -21.8 16.5 7.1 -9.5 51 51 A E T X4 S+ 0 0 126 -3,-2.0 3,-0.9 1,-0.1 4,-0.4 0.402 92.9 91.9-108.4 -3.1 17.2 3.3 -9.8 52 52 A L G >< S+ 0 0 5 -4,-0.9 3,-1.6 -3,-0.3 6,-0.2 0.894 77.7 57.5 -69.4 -37.0 16.7 2.3 -6.3 53 53 A S G 3 S+ 0 0 76 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.642 109.3 47.0 -70.5 -16.0 12.9 1.4 -6.5 54 54 A G G < S+ 0 0 61 -3,-0.9 -1,-0.3 4,-0.0 2,-0.2 0.416 85.7 115.7 -98.4 -1.5 13.7 -1.2 -9.2 55 55 A N <> - 0 0 43 -3,-1.6 4,-2.7 -4,-0.4 5,-0.2 -0.525 64.6-139.0 -73.5 134.9 16.6 -2.7 -7.3 56 56 A A H > S+ 0 0 82 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.841 102.3 48.9 -65.6 -35.6 16.1 -6.4 -6.3 57 57 A R H > S+ 0 0 132 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 112.1 48.0 -67.4 -48.2 17.7 -5.9 -2.9 58 58 A F H > S+ 0 0 0 -6,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 113.5 48.4 -56.4 -47.9 15.6 -2.8 -2.1 59 59 A R H X S+ 0 0 123 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.909 114.0 44.9 -62.7 -43.0 12.4 -4.5 -3.2 60 60 A A H X S+ 0 0 42 -4,-2.2 4,-1.4 -5,-0.2 3,-0.4 0.903 111.3 53.8 -67.1 -37.1 13.1 -7.7 -1.2 61 61 A H H X S+ 0 0 42 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.892 99.4 62.7 -65.8 -37.0 14.1 -5.6 1.8 62 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.899 104.9 47.7 -49.4 -44.1 10.8 -3.7 1.6 63 63 A G H X S+ 0 0 23 -4,-1.1 4,-2.2 -3,-0.4 -1,-0.2 0.831 106.2 58.2 -68.1 -33.8 9.0 -7.0 2.3 64 64 A R H X S+ 0 0 117 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.899 106.4 45.8 -65.1 -41.7 11.2 -7.8 5.1 65 65 A I H X S+ 0 0 29 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.888 113.0 50.6 -72.1 -33.9 10.4 -4.7 7.1 66 66 A I H X S+ 0 0 4 -4,-1.5 4,-2.7 -5,-0.2 -1,-0.2 0.883 103.2 60.6 -66.8 -38.4 6.7 -5.1 6.5 67 67 A R H X S+ 0 0 190 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.871 101.8 53.1 -58.3 -41.1 6.9 -8.7 7.7 68 68 A V H X S+ 0 0 29 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.922 111.0 45.6 -59.4 -45.0 8.1 -7.6 11.1 69 69 A F H X S+ 0 0 13 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.908 112.0 51.8 -64.5 -40.6 5.2 -5.3 11.5 70 70 A D H X S+ 0 0 43 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 109.2 49.0 -61.5 -44.0 2.8 -7.9 10.3 71 71 A E H X S+ 0 0 101 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.904 113.2 49.0 -61.6 -42.0 4.1 -10.5 12.8 72 72 A S H X S+ 0 0 3 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.895 111.5 47.5 -61.7 -45.6 3.7 -7.8 15.6 73 73 A I H < S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 107.6 56.6 -72.1 -31.2 0.2 -6.9 14.6 74 74 A Q H < S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.0 47.6 -63.0 -40.0 -0.9 -10.5 14.4 75 75 A V H >< S+ 0 0 17 -4,-1.5 3,-2.5 -5,-0.2 -1,-0.2 0.737 84.9 113.7 -78.7 -20.4 0.2 -11.2 18.0 76 76 A L T 3< S+ 0 0 7 -4,-1.2 3,-0.1 1,-0.3 -3,-0.0 -0.245 82.8 17.9 -49.8 131.5 -1.5 -8.0 19.4 77 77 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.212 97.9 122.4 85.5 -11.7 -4.4 -9.0 21.7 78 78 A Q S X S- 0 0 87 -3,-2.5 3,-1.7 1,-0.1 -1,-0.3 -0.384 79.4 -86.6 -70.6 156.2 -3.1 -12.5 22.2 79 79 A D T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.483 119.6 14.0 -57.5 130.1 -2.3 -13.8 25.7 80 80 A G T 3> S+ 0 0 21 -2,-0.2 4,-2.2 -3,-0.1 -1,-0.3 0.764 80.6 144.0 72.2 24.7 1.3 -12.8 26.4 81 81 A D H <> + 0 0 36 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.884 68.7 58.1 -62.7 -33.9 1.4 -10.4 23.5 82 82 A L H > S+ 0 0 101 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 109.3 43.2 -61.5 -43.2 3.6 -8.0 25.6 83 83 A E H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 113.7 51.8 -69.9 -38.2 6.2 -10.7 26.0 84 84 A K H X S+ 0 0 89 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 110.7 47.9 -68.5 -41.0 5.9 -11.7 22.3 85 85 A L H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.894 108.5 55.3 -62.8 -40.8 6.4 -8.1 21.2 86 86 A D H X S+ 0 0 60 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.918 109.7 46.8 -59.4 -41.3 9.4 -7.8 23.5 87 87 A E H X S+ 0 0 143 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.951 113.7 47.0 -64.9 -49.4 11.0 -10.8 21.9 88 88 A I H X S+ 0 0 16 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.921 118.7 39.8 -58.9 -46.1 10.3 -9.6 18.3 89 89 A W H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.768 111.0 54.8 -86.4 -26.5 11.6 -6.1 18.9 90 90 A T H X S+ 0 0 41 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.902 107.7 53.8 -64.4 -37.9 14.6 -7.0 21.1 91 91 A K H X S+ 0 0 159 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.913 108.9 48.6 -63.1 -39.0 15.6 -9.2 18.2 92 92 A I H X S+ 0 0 34 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.972 111.6 49.2 -63.5 -46.5 15.4 -6.2 15.8 93 93 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.929 111.9 48.6 -59.7 -45.1 17.4 -4.1 18.2 94 94 A V H < S+ 0 0 85 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.892 109.1 51.2 -66.9 -36.8 20.1 -6.7 18.6 95 95 A S H < S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.6 47.7 -73.3 -22.8 20.5 -7.3 14.8 96 96 A H H ><>S+ 0 0 50 -4,-1.7 3,-1.5 -3,-0.3 5,-0.8 0.674 87.6 86.3 -89.3 -15.4 20.9 -3.5 14.2 97 97 A I G ><5S+ 0 0 37 -4,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.899 87.4 52.1 -51.5 -44.7 23.5 -3.0 17.0 98 98 A P G 3 5S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.720 105.4 57.4 -65.9 -17.8 26.4 -3.8 14.7 99 99 A R G < 5S- 0 0 120 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.383 105.9-132.2 -87.5 -0.2 25.1 -1.4 12.2 100 100 A T T < 5 - 0 0 61 -3,-2.1 2,-0.8 -4,-0.3 -3,-0.2 0.907 32.5-176.9 45.0 54.6 25.2 1.4 14.9 101 101 A V < - 0 0 21 -5,-0.8 -1,-0.2 49,-0.4 -2,-0.1 -0.757 17.0-142.7 -83.2 111.1 21.8 2.7 14.2 102 102 A S > - 0 0 20 -2,-0.8 4,-2.4 1,-0.1 47,-0.2 -0.219 20.0-114.0 -73.0 162.5 21.3 5.7 16.4 103 103 A K H > S+ 0 0 33 45,-2.3 4,-2.5 1,-0.2 5,-0.2 0.879 119.3 57.7 -61.2 -39.4 18.2 6.7 18.3 104 104 A E H > S+ 0 0 138 44,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.917 107.8 46.6 -55.3 -43.8 18.1 9.8 16.0 105 105 A S H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.901 110.7 51.5 -68.4 -40.7 18.0 7.5 12.9 106 106 A Y H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.915 110.5 50.3 -57.9 -41.5 15.3 5.3 14.4 107 107 A N H X S+ 0 0 72 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.844 105.3 55.9 -71.8 -30.0 13.2 8.4 15.1 108 108 A Q H X S+ 0 0 33 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.934 111.1 44.0 -61.2 -47.3 13.7 9.6 11.6 109 109 A L H X S+ 0 0 23 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.879 106.8 63.1 -66.6 -36.2 12.2 6.3 10.3 110 110 A K H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.930 104.0 45.8 -53.2 -50.1 9.5 6.4 13.0 111 111 A G H X S+ 0 0 30 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.878 112.4 51.1 -63.8 -37.0 8.0 9.6 11.6 112 112 A V H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.934 109.0 50.7 -65.5 -47.3 8.2 8.3 8.0 113 113 A I H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.946 111.8 47.3 -59.1 -45.6 6.4 5.0 9.0 114 114 A L H X S+ 0 0 34 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.904 112.6 49.8 -64.0 -39.8 3.6 6.9 10.7 115 115 A D H X S+ 0 0 82 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.927 112.2 47.5 -61.3 -43.8 3.3 9.3 7.7 116 116 A V H X S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.908 114.4 45.7 -67.1 -39.6 3.1 6.4 5.2 117 117 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 6,-0.3 0.879 109.5 54.6 -72.6 -38.1 0.5 4.4 7.2 118 118 A T H <>S+ 0 0 48 -4,-2.3 5,-1.9 -5,-0.3 4,-0.3 0.920 114.5 41.6 -58.0 -47.0 -1.6 7.5 7.8 119 119 A A H ><5S+ 0 0 80 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.940 114.1 50.9 -61.9 -49.8 -1.7 8.0 4.0 120 120 A A H 3<5S+ 0 0 43 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.878 121.9 30.6 -64.4 -41.0 -2.2 4.4 3.1 121 121 A S T 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.295 104.8-122.3-103.3 12.1 -5.1 3.7 5.4 122 122 A S T < 5 - 0 0 103 -3,-0.9 2,-0.2 -4,-0.3 -3,-0.2 0.922 41.7-166.5 47.0 54.8 -6.5 7.3 5.3 123 123 A L < - 0 0 15 -5,-1.9 -1,-0.2 -6,-0.3 2,-0.1 -0.477 11.0-140.9 -74.6 135.8 -6.2 7.5 9.1 124 124 A D > - 0 0 90 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.270 38.2 -89.6 -83.6 178.7 -7.9 10.4 10.8 125 125 A E H > S+ 0 0 179 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.902 126.8 47.3 -65.2 -39.0 -6.2 12.1 13.7 126 126 A S H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.857 114.2 47.2 -69.0 -37.5 -7.6 9.8 16.4 127 127 A Q H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.890 110.2 52.6 -67.3 -43.3 -6.7 6.7 14.5 128 128 A A H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.875 106.2 54.9 -59.1 -38.2 -3.2 8.0 13.8 129 129 A A H X S+ 0 0 57 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.874 105.3 52.5 -64.4 -37.9 -2.8 8.6 17.5 130 130 A T H X S+ 0 0 17 -4,-1.3 4,-1.5 2,-0.2 3,-0.2 0.927 109.7 48.5 -61.7 -45.1 -3.6 5.0 18.2 131 131 A W H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.902 106.3 56.9 -60.3 -40.6 -0.9 3.9 15.7 132 132 A A H X S+ 0 0 26 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.843 103.3 55.5 -60.4 -32.6 1.5 6.3 17.4 133 133 A K H X S+ 0 0 109 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.921 109.1 46.1 -64.0 -45.5 0.8 4.4 20.7 134 134 A L H X S+ 0 0 7 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.949 115.2 45.6 -63.0 -45.5 1.8 1.1 19.1 135 135 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.917 111.4 51.9 -69.4 -38.9 4.9 2.4 17.5 136 136 A D H X S+ 0 0 83 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.895 109.3 53.5 -61.1 -39.4 6.0 4.3 20.6 137 137 A H H X S+ 0 0 82 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.958 111.0 42.4 -60.0 -50.4 5.5 1.0 22.5 138 138 A V H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.854 111.2 56.8 -71.4 -29.6 7.8 -1.0 20.2 139 139 A Y H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.842 101.4 57.8 -66.1 -35.2 10.3 1.8 20.1 140 140 A G H X S+ 0 0 40 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.887 105.3 50.5 -60.0 -36.7 10.5 1.7 23.8 141 141 A I H X S+ 0 0 7 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.935 113.0 44.9 -67.4 -46.3 11.5 -2.0 23.5 142 142 A I H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.950 111.8 53.2 -59.5 -47.8 14.3 -1.1 20.9 143 143 A F H >< S+ 0 0 38 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.768 97.6 62.3 -69.7 -23.6 15.5 1.8 23.0 144 144 A K H 3< S+ 0 0 113 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.717 102.6 53.7 -74.9 -10.9 16.0 -0.1 26.2 145 145 A A T << S+ 0 0 24 -3,-1.7 8,-2.1 -4,-0.5 2,-0.3 0.587 110.7 48.5 -89.7 -14.0 18.6 -2.3 24.4 146 146 A I B < -A 152 0A 3 -3,-0.9 6,-0.2 -4,-0.4 2,-0.1 -0.873 68.4-127.5-135.2 154.5 20.8 0.6 23.1 147 147 A D > - 0 0 52 4,-2.4 3,-1.8 -2,-0.3 -44,-0.2 -0.318 55.0 -83.7 -84.4 179.5 22.5 3.9 24.0 148 148 A D T 3 S+ 0 0 112 1,-0.3 -45,-2.3 -46,-0.1 -44,-0.5 0.802 130.2 50.2 -58.4 -29.6 22.0 7.1 22.0 149 149 A D T 3 S- 0 0 111 -47,-0.2 -1,-0.3 -46,-0.1 3,-0.1 0.495 120.9-103.6 -90.1 -2.1 24.5 6.0 19.3 150 150 A G S < S+ 0 0 1 -3,-1.8 -49,-0.4 1,-0.3 -50,-0.3 0.560 77.5 131.7 92.1 5.9 23.0 2.6 18.8 151 151 A N S S- 0 0 72 -51,-0.2 -4,-2.4 1,-0.1 -1,-0.3 -0.519 72.9 -76.6 -81.9 161.6 25.6 0.6 20.7 152 152 A A B A 146 0A 62 -6,-0.2 -6,-0.3 -2,-0.2 -1,-0.1 -0.326 360.0 360.0 -56.6 138.6 24.5 -2.0 23.2 153 153 A K 0 0 169 -8,-2.1 -1,-0.1 -6,-0.1 -6,-0.0 -0.290 360.0 360.0 -67.6 360.0 23.4 -0.3 26.4