==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 16-SEP-13 4MQH . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SOMAN,J.S.OLSON . 285 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 78.9 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 1 0 0 1 1 0 0 3 0 0 1 0 1 3 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 . 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 V 0 0 185 0, 0.0 2,-0.6 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 172.7 8.9 19.6 1.8 2 2 A L - 0 0 13 71,-0.1 122,-0.0 4,-0.0 5,-0.0 -0.854 360.0-133.2 -87.9 124.0 7.7 20.5 5.3 3 3 A S > - 0 0 44 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.186 21.7-111.3 -62.2 162.5 6.0 23.9 5.2 4 4 A P H > S+ 0 0 97 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.896 124.0 52.4 -63.2 -37.8 6.8 26.4 7.8 5 5 A A H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.873 107.4 52.7 -64.8 -36.7 3.4 25.9 9.3 6 6 A D H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.963 110.5 48.2 -54.4 -54.2 4.1 22.2 9.3 7 7 A K H X S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.902 113.0 45.9 -54.9 -47.1 7.3 23.0 11.3 8 8 A T H X S+ 0 0 82 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.911 112.7 51.5 -70.0 -37.7 5.6 25.2 13.8 9 9 A N H X S+ 0 0 41 -4,-2.6 4,-3.3 -5,-0.2 5,-0.2 0.953 113.9 42.7 -56.1 -53.8 2.8 22.7 14.2 10 10 A V H X S+ 0 0 2 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.938 112.9 50.9 -61.6 -50.6 5.1 19.8 14.9 11 11 A K H X S+ 0 0 111 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.846 116.4 45.6 -55.3 -33.9 7.5 21.8 17.2 12 12 A A H X S+ 0 0 54 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.955 114.2 43.7 -74.0 -54.6 4.3 22.8 19.0 13 13 A A H < S+ 0 0 5 -4,-3.3 3,-0.4 1,-0.2 -2,-0.2 0.929 120.5 42.3 -60.5 -45.3 2.7 19.4 19.3 14 14 A W H >X S+ 0 0 19 -4,-3.4 3,-1.4 1,-0.2 4,-0.9 0.789 105.2 67.2 -70.1 -27.3 5.9 17.8 20.2 15 15 A G H 3< S+ 0 0 50 -4,-0.9 -1,-0.2 -5,-0.4 -2,-0.2 0.867 104.5 42.7 -58.4 -37.6 6.6 20.7 22.5 16 16 A K T 3< S+ 0 0 144 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.281 93.3 84.1 -93.3 9.4 3.7 19.6 24.7 17 17 A V T X4 S+ 0 0 1 -3,-1.4 3,-0.9 -5,-0.1 -1,-0.2 0.939 71.9 163.2 -70.2 -48.0 4.8 16.0 24.5 18 18 A G G >< - 0 0 38 -4,-0.9 3,-3.0 1,-0.2 -2,-0.1 -0.006 58.7 -20.5 64.0-169.2 7.1 16.6 27.3 19 19 A A G > S+ 0 0 97 1,-0.3 3,-0.7 2,-0.1 4,-0.5 0.592 122.9 79.9 -48.2 -15.5 8.9 14.0 29.6 20 20 A H G <> + 0 0 92 -3,-0.9 4,-2.7 1,-0.2 -1,-0.3 0.542 63.8 104.7 -67.7 -7.9 6.1 11.7 28.4 21 21 A A H <> S+ 0 0 8 -3,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.862 82.9 39.3 -40.6 -53.4 8.3 11.4 25.3 22 22 A G H <> S+ 0 0 9 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.932 113.5 53.9 -65.2 -49.2 9.6 8.0 26.4 23 23 A E H > S+ 0 0 106 -4,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.852 109.6 50.1 -50.9 -39.9 6.2 6.7 27.7 24 24 A Y H X S+ 0 0 12 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.875 107.1 50.6 -73.1 -41.8 4.5 7.6 24.4 25 25 A G H X S+ 0 0 2 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.797 110.8 51.6 -68.6 -28.4 7.0 5.9 22.1 26 26 A A H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.929 110.8 46.9 -72.1 -46.4 6.6 2.8 24.2 27 27 A E H X S+ 0 0 31 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.858 108.4 55.8 -63.2 -38.8 2.8 2.9 23.9 28 28 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.929 108.9 48.7 -54.8 -45.2 3.1 3.5 20.2 29 29 A L H X S+ 0 0 2 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.934 111.2 47.7 -65.0 -46.9 5.1 0.3 20.0 30 30 A E H X S+ 0 0 26 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.944 111.7 51.0 -56.1 -50.0 2.7 -1.7 22.0 31 31 A R H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.908 113.0 46.3 -52.7 -46.0 -0.2 -0.4 19.9 32 32 A M H X S+ 0 0 7 -4,-2.7 4,-3.2 2,-0.2 7,-0.2 0.943 111.9 50.5 -62.2 -46.2 1.8 -1.4 16.8 33 33 A F H < S+ 0 0 5 -4,-3.4 7,-0.2 1,-0.2 -2,-0.2 0.927 116.7 40.2 -59.5 -45.6 2.6 -4.9 18.2 34 34 A L H < S+ 0 0 70 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.909 121.6 41.3 -67.9 -44.7 -1.1 -5.6 19.1 35 35 A S H < S+ 0 0 16 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.862 129.0 25.8 -77.3 -34.1 -2.6 -4.0 16.0 36 36 A F >< - 0 0 38 -4,-3.2 3,-2.2 -5,-0.2 -1,-0.3 -0.724 67.1-178.4-133.0 81.0 -0.0 -5.4 13.5 37 37 A P G > S+ 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.710 75.2 72.5 -60.2 -27.2 1.5 -8.6 14.9 38 38 A T G > S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.826 87.3 66.6 -53.0 -34.1 3.8 -9.1 11.9 39 39 A T G X S+ 0 0 1 -3,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.672 83.1 75.9 -64.5 -16.6 5.9 -6.2 13.2 40 40 A K G X S+ 0 0 94 -3,-1.9 3,-1.8 1,-0.2 -1,-0.3 0.741 74.3 78.0 -66.9 -23.9 6.8 -8.3 16.3 41 41 A T G < S+ 0 0 105 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.747 86.7 60.1 -59.4 -21.5 9.4 -10.3 14.3 42 42 A Y G < S+ 0 0 79 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.682 111.1 41.8 -79.5 -14.9 11.8 -7.4 14.5 43 43 A F < + 0 0 31 -3,-1.8 -1,-0.3 -4,-0.3 3,-0.2 -0.424 66.3 139.9-123.5 57.8 11.7 -7.7 18.3 44 44 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.392 80.9 44.3 -83.3 9.4 11.8 -11.5 18.8 45 45 A H S S+ 0 0 135 -3,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.499 95.8 86.7-124.7 -18.9 14.1 -10.9 21.7 46 46 A F S S- 0 0 48 -3,-0.2 2,-0.5 8,-0.1 -3,-0.1 -0.435 86.6-112.3 -71.6 157.3 12.4 -8.0 23.5 47 47 A D - 0 0 70 1,-0.1 8,-0.6 -2,-0.1 7,-0.1 -0.868 36.9-177.0 -84.0 129.5 9.6 -8.7 25.9 48 48 A L + 0 0 31 -2,-0.5 -1,-0.1 6,-0.1 3,-0.1 0.511 42.8 102.0-111.0 -8.6 6.6 -7.3 24.0 49 49 A S S > S- 0 0 71 1,-0.2 3,-1.5 2,-0.1 6,-0.2 -0.111 86.8 -68.0 -74.8 172.8 3.9 -7.8 26.6 50 50 A H T 3 S+ 0 0 157 1,-0.2 -1,-0.2 5,-0.0 -2,-0.1 -0.418 119.9 25.9 -70.6 132.9 2.4 -5.0 28.8 51 51 A G T 3 S+ 0 0 48 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.407 83.3 156.3 98.7 1.4 4.7 -3.6 31.4 52 52 A S <> - 0 0 5 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 -0.449 35.1-163.6 -68.4 123.5 7.8 -4.5 29.4 53 53 A A H > S+ 0 0 74 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.734 92.0 64.4 -72.8 -26.4 10.9 -2.4 30.3 54 54 A Q H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.953 108.1 38.5 -60.7 -51.1 12.4 -3.7 27.0 55 55 A V H > S+ 0 0 11 -8,-0.6 4,-3.3 -6,-0.2 -2,-0.2 0.924 116.0 53.9 -63.9 -44.1 9.7 -1.9 25.0 56 56 A K H X S+ 0 0 114 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.852 108.6 46.5 -62.4 -41.4 9.7 1.1 27.3 57 57 A G H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.900 116.8 43.5 -71.0 -42.4 13.4 1.8 27.0 58 58 A H H X S+ 0 0 54 -4,-1.6 4,-3.0 -5,-0.3 5,-0.3 0.906 107.9 60.1 -68.3 -39.1 13.5 1.4 23.3 59 59 A G H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.845 107.7 47.9 -50.8 -34.9 10.3 3.5 23.2 60 60 A K H X S+ 0 0 82 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.920 108.6 51.0 -73.4 -47.5 12.5 6.1 24.8 61 61 A K H X S+ 0 0 155 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.898 113.4 47.2 -56.1 -44.0 15.3 5.8 22.3 62 62 A M H X S+ 0 0 29 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.931 111.3 49.1 -65.4 -47.3 12.9 6.1 19.5 63 63 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.839 109.0 54.0 -65.4 -31.6 11.1 9.1 20.9 64 64 A D H X S+ 0 0 73 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.842 106.1 51.9 -69.6 -32.0 14.5 10.8 21.6 65 65 A A H X S+ 0 0 18 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.913 110.1 50.2 -69.2 -37.4 15.4 10.3 17.9 66 66 A L H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 3,-0.4 0.951 109.0 50.0 -60.3 -51.4 12.1 12.0 17.0 67 67 A T H X S+ 0 0 56 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.826 109.1 53.7 -56.1 -32.2 12.8 14.9 19.3 68 68 A N H X S+ 0 0 69 -4,-1.5 4,-1.2 2,-0.2 -1,-0.3 0.855 109.2 47.7 -70.8 -34.5 16.2 15.1 17.6 69 69 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.878 106.2 57.3 -72.3 -39.9 14.4 15.3 14.2 70 70 A V H >< S+ 0 0 15 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.857 109.6 46.7 -56.8 -35.4 12.0 18.0 15.5 71 71 A A H 3< S+ 0 0 71 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 121.8 33.9 -79.2 -31.1 15.1 20.1 16.4 72 72 A H T >< S+ 0 0 95 -4,-1.2 3,-1.7 1,-0.1 7,-0.3 -0.234 75.1 144.2-117.5 44.7 16.8 19.6 13.1 73 73 A V G X S+ 0 0 15 -3,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.725 70.7 52.8 -62.1 -21.5 13.7 19.4 11.0 74 74 A D G 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.665 118.9 33.8 -88.0 -18.5 15.4 21.2 8.1 75 75 A D G X> S+ 0 0 83 -3,-1.7 4,-2.3 -6,-0.2 3,-0.7 -0.176 73.7 141.9-128.3 40.0 18.4 18.9 8.0 76 76 A M H <> + 0 0 11 -3,-0.5 4,-3.3 1,-0.2 5,-0.2 0.802 67.4 58.7 -51.5 -37.9 16.7 15.6 9.0 77 77 A P H 34 S+ 0 0 81 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.912 111.5 41.6 -62.1 -39.2 18.7 13.4 6.6 78 78 A N H X4 S+ 0 0 114 -3,-0.7 3,-0.6 2,-0.2 4,-0.3 0.914 118.5 47.7 -68.7 -42.9 22.0 14.5 8.2 79 79 A A H 3< S+ 0 0 30 -4,-2.3 3,-0.3 -7,-0.3 -3,-0.2 0.896 119.8 35.8 -61.8 -44.5 20.4 14.2 11.7 80 80 A L T >X S+ 0 0 4 -4,-3.3 4,-1.8 1,-0.2 3,-0.7 0.314 86.2 113.4 -98.1 10.8 18.8 10.8 11.2 81 81 A S H <> S+ 0 0 40 -3,-0.6 4,-1.6 1,-0.3 3,-0.4 0.878 75.0 46.6 -50.5 -54.3 21.7 9.5 9.1 82 82 A A H 3> S+ 0 0 75 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.3 0.779 112.5 50.5 -63.3 -29.5 23.0 6.9 11.5 83 83 A L H <> S+ 0 0 55 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.768 102.8 62.3 -80.2 -24.3 19.5 5.5 12.1 84 84 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.4 5,-0.4 0.942 108.0 41.7 -58.8 -51.2 19.0 5.3 8.3 85 85 A D H X>S+ 0 0 63 -4,-1.6 4,-1.6 2,-0.2 5,-1.3 0.892 112.7 56.2 -63.6 -42.4 21.8 2.8 8.1 86 86 A L H <>S+ 0 0 62 -4,-1.5 5,-2.4 1,-0.2 4,-0.3 0.951 115.7 33.9 -55.2 -54.7 20.7 1.0 11.2 87 87 A H H <5S+ 0 0 36 -4,-2.5 6,-2.5 3,-0.2 5,-0.3 0.878 127.3 35.9 -73.1 -41.1 17.1 0.3 10.0 88 88 A A H <5S+ 0 0 25 -4,-2.4 -3,-0.2 48,-0.3 -2,-0.2 0.952 126.2 30.6 -83.0 -49.6 17.8 -0.2 6.3 89 89 A H T <5S+ 0 0 135 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.979 132.1 19.9 -72.7 -61.8 21.2 -2.0 6.2 90 90 A K T - 0 0 72 -2,-0.6 3,-2.2 1,-0.1 4,-0.5 -0.382 18.5-129.3 -52.8 123.4 10.3 -3.3 5.7 95 95 A P T >> S+ 0 0 77 0, 0.0 4,-1.2 0, 0.0 3,-1.0 0.765 105.2 70.2 -50.7 -33.8 9.2 0.3 4.7 96 96 A V H 3> S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.850 90.9 61.8 -48.2 -38.5 5.5 -0.8 5.3 97 97 A N H <> S+ 0 0 16 -3,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.815 94.8 58.9 -65.9 -31.1 6.4 -0.9 9.0 98 98 A F H <> S+ 0 0 19 -3,-1.0 4,-2.9 -4,-0.5 -1,-0.2 0.929 106.1 48.7 -61.9 -42.0 7.2 2.7 9.1 99 99 A K H X S+ 0 0 148 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.941 112.0 49.0 -62.2 -45.6 3.7 3.5 8.0 100 100 A L H X S+ 0 0 21 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 114.9 44.2 -59.0 -46.5 2.2 1.2 10.6 101 101 A L H X S+ 0 0 33 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.906 111.2 54.4 -65.6 -42.6 4.4 2.7 13.4 102 102 A S H X S+ 0 0 14 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.889 108.0 49.0 -56.1 -46.5 3.6 6.3 12.2 103 103 A H H X S+ 0 0 18 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.923 110.6 50.6 -59.1 -47.5 -0.1 5.6 12.4 104 104 A C H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.883 108.2 53.4 -61.5 -40.1 0.2 4.2 16.0 105 105 A L H X S+ 0 0 9 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.909 109.5 47.7 -52.5 -50.1 2.2 7.3 17.0 106 106 A L H X S+ 0 0 4 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.969 112.1 49.9 -57.4 -53.3 -0.6 9.6 15.7 107 107 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.909 112.8 47.0 -49.8 -47.0 -3.1 7.4 17.6 108 108 A T H X S+ 0 0 1 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.893 114.9 46.3 -64.5 -42.6 -0.9 7.7 20.7 109 109 A L H >X S+ 0 0 5 -4,-3.2 4,-1.7 1,-0.2 3,-0.6 0.902 110.9 51.8 -64.2 -42.2 -0.6 11.5 20.2 110 110 A A H 3< S+ 0 0 0 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 110.7 50.3 -62.2 -33.0 -4.3 11.9 19.5 111 111 A A H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.3 149,-0.2 0.635 117.9 35.8 -82.1 -18.1 -5.0 10.0 22.8 112 112 A H H << S+ 0 0 58 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.513 119.1 47.0-110.2 -12.9 -2.8 12.0 25.0 113 113 A L X + 0 0 13 -4,-1.7 4,-2.3 1,-0.1 -1,-0.2 -0.493 58.9 164.0-131.4 69.0 -3.2 15.5 23.5 114 114 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.881 80.8 41.2 -53.2 -46.1 -6.9 16.0 23.0 115 115 A A T 4 S+ 0 0 80 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.832 116.0 46.8 -74.9 -36.2 -6.5 19.8 22.6 116 116 A E T 4 S+ 0 0 60 1,-0.2 2,-2.4 -3,-0.1 -1,-0.2 0.759 89.3 85.3 -80.6 -25.7 -3.4 19.8 20.4 117 117 A F < + 0 0 3 -4,-2.3 -1,-0.2 -8,-0.2 139,-0.0 -0.400 59.6 153.6 -79.7 67.0 -4.5 17.1 17.9 118 118 A T > - 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