==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING, OXYGEN TRANSPORT 07-MAR-11 3QZX . COMPND 2 MOLECULE: METHANOSARCINA ACETIVORANS PROTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR A.PESCE,L.TILLEMAN,S.DEWILDE,P.ASCENZI,M.COLETTA,C.CIACCIO,S . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 75.8 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 1.1 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 0.5 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 2 0 0 0 0 1 0 1 1 1 0 0 0 0 1 0 1 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 6 A I > 0 0 99 0, 0.0 3,-2.3 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 108.5 -14.5 2.0 -23.9 2 7 A P T 3 + 0 0 94 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.237 360.0 7.9 -57.0 132.4 -15.7 5.4 -23.0 3 8 A G T 3 S+ 0 0 27 1,-0.2 2,-0.7 120,-0.0 121,-0.0 0.277 91.1 129.9 85.3 -8.4 -13.2 7.5 -21.2 4 9 A Y < + 0 0 35 -3,-2.3 -1,-0.2 1,-0.1 83,-0.0 -0.694 22.0 163.8 -85.8 113.2 -10.4 5.0 -21.6 5 10 A T > + 0 0 38 -2,-0.7 3,-2.2 -3,-0.1 4,-0.2 -0.019 8.1 158.6-123.4 30.0 -7.4 6.9 -23.0 6 11 A Y T 3 S+ 0 0 21 1,-0.3 98,-0.1 2,-0.2 97,-0.1 -0.293 75.1 9.4 -55.9 129.6 -4.4 4.6 -22.4 7 12 A G T 3 S+ 0 0 52 96,-0.5 -1,-0.3 1,-0.1 97,-0.1 0.525 123.2 68.7 80.9 5.6 -1.5 5.5 -24.7 8 13 A E < + 0 0 108 -3,-2.2 -2,-0.2 95,-0.1 -1,-0.1 0.094 52.7 107.9-148.6 28.4 -3.2 8.7 -25.8 9 14 A T - 0 0 35 -4,-0.2 3,-0.1 2,-0.1 -3,-0.1 0.783 66.9-148.4 -71.3 -25.3 -3.2 11.1 -22.9 10 15 A E + 0 0 164 1,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.717 61.5 115.5 57.8 25.0 -0.5 13.1 -24.7 11 16 A N - 0 0 74 95,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.965 63.9-139.9-126.2 117.8 0.8 14.0 -21.2 12 17 A R - 0 0 181 -2,-0.5 4,-0.1 -3,-0.1 91,-0.1 -0.628 29.3-122.3 -73.9 124.7 4.2 12.9 -20.0 13 18 A A - 0 0 10 -2,-0.4 93,-0.1 89,-0.3 -1,-0.1 -0.157 17.6-113.6 -60.1 159.5 3.9 11.8 -16.3 14 19 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.370 101.4 66.0 -78.6 7.3 6.1 13.4 -13.6 15 20 A F - 0 0 3 87,-0.1 -2,-0.2 90,-0.1 2,-0.2 -0.970 68.6-167.1-128.3 147.9 7.8 10.1 -13.2 16 21 A N > - 0 0 77 -2,-0.3 4,-2.4 -4,-0.1 5,-0.2 -0.437 43.4 -77.5-123.0-171.3 10.0 8.3 -15.7 17 22 A L H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.790 126.8 55.3 -69.6 -26.0 11.6 4.9 -16.3 18 23 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 108.5 48.8 -68.1 -43.5 14.3 5.5 -13.8 19 24 A D H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.924 112.5 49.3 -57.0 -44.9 11.7 6.2 -11.2 20 25 A L H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.912 107.3 53.8 -65.5 -39.0 9.9 3.0 -12.2 21 26 A K H X S+ 0 0 111 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.939 111.8 45.2 -56.9 -48.1 13.2 1.0 -12.0 22 27 A L H X S+ 0 0 87 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.854 113.5 49.4 -68.0 -35.0 13.7 2.1 -8.4 23 28 A L H X S+ 0 0 49 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.903 108.8 52.2 -70.5 -40.1 10.1 1.5 -7.5 24 29 A K H X>S+ 0 0 39 -4,-3.0 5,-2.5 1,-0.2 4,-0.5 0.901 109.0 52.2 -59.6 -39.7 10.2 -2.0 -9.0 25 30 A E H ><5S+ 0 0 113 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.922 108.8 49.4 -61.5 -42.0 13.3 -2.6 -6.9 26 31 A A H 3<5S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 114.9 43.4 -68.1 -32.6 11.5 -1.5 -3.7 27 32 A V H 3<5S- 0 0 31 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.381 112.4-119.4 -93.2 2.7 8.5 -3.7 -4.4 28 33 A M T <<5 + 0 0 145 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.780 57.8 155.5 65.7 31.5 10.7 -6.7 -5.4 29 34 A F < + 0 0 10 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.783 12.0 161.2 -92.3 129.5 9.3 -6.9 -9.0 30 35 A T >> - 0 0 71 -2,-0.4 4,-1.8 -5,-0.0 3,-0.8 -0.711 58.8 -76.9-133.4-175.9 11.7 -8.4 -11.5 31 36 A A H 3> S+ 0 0 61 1,-0.3 4,-2.0 -2,-0.2 5,-0.1 0.806 126.8 63.4 -57.0 -27.9 11.6 -10.0 -15.0 32 37 A E H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.910 103.5 46.3 -63.7 -40.5 10.2 -13.1 -13.2 33 38 A D H <> S+ 0 0 11 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.860 106.9 57.8 -70.5 -33.9 7.1 -11.2 -12.2 34 39 A E H X S+ 0 0 79 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.926 108.4 48.1 -58.6 -43.7 6.7 -9.8 -15.7 35 40 A E H X S+ 0 0 67 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.939 116.5 41.3 -60.0 -48.5 6.6 -13.4 -16.9 36 41 A Y H X S+ 0 0 34 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.826 109.5 55.5 -79.2 -27.9 4.0 -14.5 -14.4 37 42 A I H X S+ 0 0 5 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.885 109.9 50.2 -65.0 -36.9 1.8 -11.4 -14.5 38 43 A Q H X S+ 0 0 95 -4,-1.5 4,-0.8 -5,-0.3 3,-0.5 0.898 108.0 51.4 -68.0 -41.0 1.5 -12.1 -18.2 39 44 A K H X S+ 0 0 74 -4,-1.7 4,-1.2 1,-0.2 3,-0.4 0.862 103.1 60.0 -63.5 -33.2 0.6 -15.7 -17.6 40 45 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.848 93.4 69.5 -59.1 -33.0 -2.1 -14.5 -15.2 41 46 A G H X S+ 0 0 4 -4,-1.0 4,-1.9 -3,-0.5 -1,-0.2 0.909 100.1 43.1 -53.4 -50.0 -3.6 -12.6 -18.2 42 47 A E H X S+ 0 0 115 -4,-0.8 4,-0.5 -3,-0.4 -1,-0.2 0.859 115.2 51.5 -68.3 -32.7 -4.7 -15.8 -20.0 43 48 A V H < S+ 0 0 0 -4,-1.2 -2,-0.2 1,-0.2 3,-0.2 0.906 118.1 35.3 -67.5 -41.6 -6.0 -17.2 -16.7 44 49 A L H >< S+ 0 0 2 -4,-2.8 3,-2.3 1,-0.2 4,-0.5 0.686 93.1 90.2 -89.1 -20.9 -8.0 -14.2 -15.7 45 50 A E H >< S+ 0 0 122 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.871 92.8 39.3 -47.1 -51.8 -9.3 -13.1 -19.1 46 51 A D T 3< S+ 0 0 104 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.380 113.3 56.7 -87.4 10.2 -12.4 -15.2 -19.1 47 52 A Q T X> + 0 0 18 -3,-2.3 4,-2.2 1,-0.1 3,-0.5 0.312 69.6 107.9-117.1 5.7 -13.3 -14.5 -15.5 48 53 A V H <> S+ 0 0 9 -3,-1.0 4,-2.8 -4,-0.5 5,-0.2 0.842 76.7 53.7 -60.7 -35.3 -13.3 -10.8 -15.5 49 54 A E H 3> S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.905 110.6 46.5 -66.9 -36.0 -17.1 -10.5 -15.2 50 55 A E H <> S+ 0 0 88 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.864 112.4 50.6 -74.7 -35.1 -17.1 -12.7 -12.1 51 56 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.947 112.1 47.7 -61.3 -49.1 -14.2 -10.7 -10.6 52 57 A L H X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.859 110.1 52.3 -59.6 -40.3 -16.1 -7.5 -11.3 53 58 A D H X S+ 0 0 92 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.926 110.6 48.3 -62.5 -44.7 -19.2 -9.0 -9.7 54 59 A T H X S+ 0 0 64 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.921 114.4 44.6 -59.2 -47.0 -17.2 -9.9 -6.6 55 60 A W H X S+ 0 0 22 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.814 110.6 54.2 -75.8 -29.0 -15.6 -6.4 -6.4 56 61 A A H X S+ 0 0 46 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.915 108.5 51.4 -63.7 -42.2 -19.0 -4.7 -7.0 57 62 A G H X S+ 0 0 41 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.874 108.2 49.9 -64.4 -41.8 -20.5 -6.7 -4.1 58 63 A F H < S+ 0 0 79 -4,-1.9 3,-0.4 2,-0.2 4,-0.3 0.966 117.4 39.9 -59.6 -54.1 -17.7 -5.7 -1.7 59 64 A V H >< S+ 0 0 21 -4,-1.9 3,-1.6 1,-0.2 7,-0.7 0.930 114.7 53.8 -60.6 -43.8 -18.0 -2.0 -2.5 60 65 A G H 3< S+ 0 0 41 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.6 54.2 -68.9 -21.6 -21.9 -2.2 -2.6 61 66 A S T 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.455 99.6 68.9 -91.6 -2.0 -22.2 -3.7 0.8 62 67 A H X> - 0 0 76 -3,-1.6 4,-2.8 -4,-0.3 3,-2.3 -0.886 65.2-163.3-119.5 99.8 -20.2 -1.0 2.5 63 68 A P H 3> S+ 0 0 103 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.837 91.0 56.0 -52.1 -35.4 -22.0 2.4 2.5 64 69 A H H 34 S+ 0 0 152 2,-0.2 4,-0.1 1,-0.2 -5,-0.1 0.621 115.1 38.2 -76.4 -11.3 -18.8 4.3 3.2 65 70 A L H X4 S+ 0 0 23 -3,-2.3 3,-1.9 -6,-0.3 4,-0.2 0.787 112.1 54.2 -99.2 -45.0 -17.1 2.8 0.1 66 71 A L H >< S+ 0 0 36 -4,-2.8 3,-2.6 -7,-0.7 4,-0.2 0.824 92.4 81.5 -56.3 -29.5 -20.2 2.9 -2.2 67 72 A Y G >< S+ 0 0 114 -4,-1.7 3,-1.9 -5,-0.3 62,-0.4 0.791 78.2 65.4 -37.3 -43.5 -20.2 6.6 -1.1 68 73 A Y G < S+ 0 0 37 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.655 105.0 43.4 -66.5 -15.1 -17.5 7.4 -3.7 69 74 A F G < S+ 0 0 46 -3,-2.6 8,-2.7 -4,-0.2 -1,-0.3 0.211 94.0 117.7-105.9 7.2 -19.9 6.5 -6.6 70 75 A T B < -A 76 0A 11 -3,-1.9 59,-0.5 6,-0.3 -3,-0.0 -0.471 61.7-127.8 -85.9 148.9 -22.9 8.4 -5.1 71 76 A S > - 0 0 26 4,-3.2 3,-2.5 -2,-0.2 57,-0.2 -0.383 45.9 -91.9 -72.5 168.7 -24.9 11.3 -6.5 72 77 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.831 126.3 64.6 -54.8 -33.1 -25.3 14.3 -4.1 73 78 A D T 3 S- 0 0 117 2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 0.449 118.8-109.8 -74.6 2.0 -28.6 12.7 -2.9 74 79 A G S < S+ 0 0 50 -3,-2.5 -1,-0.1 1,-0.3 -4,-0.1 0.392 80.7 120.5 90.1 -0.5 -26.7 9.8 -1.5 75 80 A T S S- 0 0 70 1,-0.1 -4,-3.2 -6,-0.0 -1,-0.3 -0.688 73.7 -94.6 -95.7 150.9 -27.9 7.2 -4.0 76 81 A P B -A 70 0A 42 0, 0.0 2,-0.9 0, 0.0 -6,-0.3 -0.371 31.9-127.4 -62.7 136.7 -25.4 5.3 -6.3 77 82 A N > - 0 0 26 -8,-2.7 4,-2.6 1,-0.2 5,-0.2 -0.778 21.7-165.3 -84.5 107.5 -25.0 6.9 -9.7 78 83 A E H > S+ 0 0 133 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.840 85.2 53.8 -69.2 -32.1 -25.7 4.0 -11.9 79 84 A K H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 111.1 47.6 -63.4 -45.3 -24.2 5.6 -15.1 80 85 A Y H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.951 111.3 49.5 -63.0 -50.6 -21.0 6.2 -13.1 81 86 A L H X S+ 0 0 45 -4,-2.6 4,-2.3 -12,-0.2 -1,-0.2 0.921 113.1 47.2 -52.9 -46.8 -20.8 2.7 -11.8 82 87 A A H X S+ 0 0 54 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.901 113.5 46.5 -66.9 -41.2 -21.3 1.2 -15.2 83 88 A A H X S+ 0 0 19 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.906 113.9 47.1 -70.7 -43.1 -18.8 3.4 -17.0 84 89 A V H X S+ 0 0 31 -4,-2.5 4,-2.9 -5,-0.2 3,-0.3 0.904 105.7 61.1 -65.2 -39.0 -16.1 2.9 -14.4 85 90 A R H X S+ 0 0 75 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.892 101.9 51.8 -54.1 -41.9 -16.7 -0.9 -14.4 86 91 A K H X S+ 0 0 130 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.879 112.7 44.7 -65.2 -37.8 -15.7 -1.1 -18.1 87 92 A R H X S+ 0 0 31 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.868 112.3 51.9 -74.7 -33.8 -12.5 0.8 -17.4 88 93 A F H X S+ 0 0 69 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.916 107.0 53.5 -65.3 -43.8 -11.7 -1.3 -14.3 89 94 A S H X S+ 0 0 28 -4,-2.6 4,-1.3 -5,-0.2 3,-0.3 0.940 110.0 47.9 -53.3 -47.9 -12.3 -4.5 -16.4 90 95 A R H X S+ 0 0 79 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.873 104.9 59.6 -63.6 -38.0 -9.7 -3.3 -18.9 91 96 A W H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.854 98.9 58.0 -60.2 -35.8 -7.3 -2.4 -16.2 92 97 A I H X S+ 0 0 0 -4,-1.7 4,-1.1 -3,-0.3 -1,-0.2 0.957 112.2 40.8 -58.2 -45.4 -7.2 -6.0 -15.1 93 98 A L H X S+ 0 0 35 -4,-1.3 4,-2.7 1,-0.2 5,-0.3 0.893 113.1 54.0 -68.2 -41.8 -6.1 -7.0 -18.6 94 99 A D H X S+ 0 0 7 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.892 103.0 56.8 -61.2 -42.9 -3.7 -4.1 -18.9 95 100 A T H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 117.4 35.0 -57.2 -37.5 -2.0 -5.0 -15.6 96 101 A S H < S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.841 129.0 31.2 -81.8 -37.0 -1.2 -8.5 -17.1 97 102 A N H < S+ 0 0 85 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.863 94.2 89.1 -97.2 -42.0 -0.6 -7.6 -20.7 98 103 A R S < S- 0 0 74 -4,-2.0 2,-0.3 -5,-0.3 -60,-0.0 -0.268 74.2-121.1 -67.5 141.8 0.9 -4.2 -21.0 99 104 A S - 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0 0 16 -5,-1.7 2,-0.7 -47,-0.0 -1,-0.2 -0.733 52.6-124.9-109.7 159.6 -21.0 13.0 -13.4 127 132 A E + 0 0 159 -2,-0.3 2,-0.2 -5,-0.0 -6,-0.1 -0.932 56.8 125.8-102.1 112.3 -21.9 14.8 -10.2 128 133 A S - 0 0 21 -2,-0.7 -57,-0.2 -57,-0.2 -59,-0.1 -0.801 64.3 -41.9-149.7-168.8 -20.5 12.9 -7.3 129 134 A V - 0 0 15 -59,-0.5 -1,-0.1 -62,-0.4 3,-0.1 -0.323 54.7-126.2 -71.3 150.1 -18.2 13.3 -4.2 130 135 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 0.768 77.4 14.9 -72.5 -29.2 -15.1 15.4 -4.9 131 136 A N - 0 0 32 -14,-0.1 2,-0.7 -12,-0.1 -15,-0.2 -0.999 58.6-132.1-148.5 145.1 -12.2 13.1 -3.8 132 137 A I - 0 0 28 -17,-2.0 5,-0.1 -2,-0.3 -15,-0.1 -0.880 43.3-117.4 -98.5 112.7 -11.4 9.6 -2.9 133 138 A G >> - 0 0 17 -2,-0.7 3,-1.8 1,-0.2 4,-0.7 -0.210 17.6-131.9 -52.8 133.2 -9.5 9.8 0.4 134 139 A Y H >> S+ 0 0 58 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.803 99.3 73.4 -61.5 -30.9 -6.0 8.4 -0.2 135 140 A R H 3> S+ 0 0 182 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.853 97.0 51.2 -51.1 -33.0 -6.1 6.2 2.9 136 141 A Y H <> S+ 0 0 75 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.798 100.6 59.5 -82.7 -25.8 -8.6 3.9 1.1 137 142 A L H << S+ 0 0 11 -3,-0.8 4,-0.4 -4,-0.7 -1,-0.2 0.926 111.2 43.1 -61.5 -44.1 -6.4 3.5 -2.1 138 143 A V H >< S+ 0 0 68 -4,-1.7 3,-2.0 1,-0.2 4,-0.4 0.949 112.6 52.1 -62.9 -50.2 -3.7 2.0 0.2 139 144 A A H >< S+ 0 0 56 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.890 101.1 62.8 -55.6 -39.4 -6.2 -0.1 2.1 140 145 A F T 3X S+ 0 0 61 -4,-2.3 4,-2.6 1,-0.3 5,-0.4 0.630 79.0 84.0 -67.0 -12.2 -7.6 -1.5 -1.1 141 146 A I H <> S+ 0 0 27 -3,-2.0 4,-1.8 -4,-0.4 -1,-0.3 0.916 91.8 51.8 -51.7 -40.2 -4.2 -3.1 -1.9 142 147 A Y H <> S+ 0 0 161 -3,-1.6 4,-3.2 -4,-0.4 5,-0.4 0.992 113.5 36.7 -64.9 -59.9 -5.4 -5.9 0.3 143 148 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.915 117.2 52.9 -62.7 -36.5 -8.8 -6.7 -1.2 144 149 A I H < S+ 0 0 19 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.874 119.1 37.0 -64.2 -33.9 -7.7 -6.1 -4.8 145 150 A T H >X S+ 0 0 3 -4,-1.8 3,-1.2 -5,-0.4 4,-0.6 0.961 120.1 43.1 -75.3 -58.9 -4.8 -8.5 -4.2 146 151 A A H >< S+ 0 0 3 -4,-3.2 3,-1.1 -5,-0.3 -2,-0.2 0.848 108.0 56.3 -66.8 -37.4 -6.3 -11.2 -2.1 147 152 A T T 3< S+ 0 0 42 -4,-2.1 4,-0.4 -5,-0.4 -1,-0.3 0.636 98.6 64.2 -76.0 -9.2 -9.6 -11.6 -3.9 148 153 A M T X> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.2 3,-0.8 0.780 84.0 79.7 -71.4 -31.2 -7.8 -12.3 -7.1 149 154 A K H S+ 0 0 29 -3,-0.8 3,-1.0 -4,-0.4 4,-0.6 0.859 109.3 49.4 -68.0 -38.7 -9.6 -16.8 -9.7 152 157 A L H 3< S+ 0 0 0 -4,-1.8 5,-0.3 1,-0.2 3,-0.3 0.853 106.3 58.2 -67.9 -33.6 -6.0 -17.5 -10.3 153 158 A A T 3< S+ 0 0 54 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.441 97.0 67.9 -77.4 0.5 -6.4 -20.9 -8.7 154 159 A R T <4 S+ 0 0 160 -3,-1.0 2,-0.9 1,-0.2 -1,-0.2 0.923 72.1 75.8 -85.2 -48.9 -9.1 -21.9 -11.2 155 160 A K S < S- 0 0 96 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.251 105.0-105.2 -71.2 19.8 -7.7 -22.4 -14.7 156 161 A G S S+ 0 0 73 -2,-0.9 -1,-0.2 -3,-0.3 2,-0.1 0.639 73.3 141.5 74.3 14.0 -6.1 -25.7 -14.0 157 162 A H - 0 0 59 -5,-0.3 -1,-0.2 1,-0.1 5,-0.0 -0.392 63.4 -81.7 -75.4 164.7 -2.5 -24.3 -13.8 158 163 A T > - 0 0 62 1,-0.1 4,-2.3 -2,-0.1 -1,-0.1 -0.356 33.2-121.3 -68.4 150.7 -0.2 -25.8 -11.2 159 164 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.815 114.6 56.5 -58.6 -32.8 -0.4 -24.4 -7.7 160 165 A E H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.919 108.7 46.0 -66.1 -41.1 3.2 -23.3 -7.9 161 166 A E H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 110.2 55.1 -67.2 -39.6 2.4 -21.3 -11.0 162 167 A V H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.920 106.7 50.3 -58.1 -45.5 -0.7 -19.9 -9.2 163 168 A E H X S+ 0 0 100 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 110.9 48.4 -61.8 -40.0 1.4 -18.7 -6.3 164 169 A K H X S+ 0 0 102 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.903 112.6 48.9 -68.2 -41.1 3.9 -16.9 -8.7 165 170 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.916 112.0 49.6 -58.3 -44.4 1.0 -15.3 -10.5 166 171 A Y H X S+ 0 0 34 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.916 110.4 48.3 -65.5 -44.8 -0.5 -14.2 -7.2 167 172 A Q H X S+ 0 0 67 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 110.8 52.3 -63.8 -38.0 2.8 -12.7 -5.9 168 173 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.918 110.0 48.8 -62.0 -41.1 3.2 -10.8 -9.2 169 174 A W H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.904 109.5 51.6 -66.6 -40.5 -0.3 -9.4 -8.9 170 175 A F H X S+ 0 0 90 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.958 113.3 45.7 -59.3 -50.7 0.3 -8.3 -5.2 171 176 A K H X S+ 0 0 43 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.911 113.4 48.6 -61.0 -44.7 3.5 -6.5 -6.4 172 177 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.862 111.3 49.5 -65.5 -36.9 1.9 -4.9 -9.4 173 178 A T H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.935 113.6 46.5 -66.0 -45.0 -1.1 -3.7 -7.3 174 179 A T H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.924 110.5 53.1 -61.8 -45.7 1.2 -2.2 -4.7 175 180 A L H X S+ 0 0 2 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.908 110.9 46.9 -56.2 -45.9 3.4 -0.5 -7.4 176 181 A Q H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.943 109.8 50.3 -66.2 -46.9 0.4 1.1 -9.0 177 182 A V H X S+ 0 0 10 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.883 107.9 56.4 -62.1 -34.1 -1.1 2.5 -5.8 178 183 A A H >< S+ 0 0 34 -4,-2.3 3,-0.9 -5,-0.2 4,-0.2 0.945 110.0 44.7 -59.6 -46.7 2.4 3.9 -4.9 179 184 A L H >< S+ 0 0 1 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.877 105.2 61.7 -64.1 -36.2 2.4 5.8 -8.2 180 185 A W H 3< S+ 0 0 23 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.656 87.4 74.5 -69.6 -12.0 -1.2 7.0 -7.7 181 186 A S T XX S+ 0 0 15 -3,-0.9 4,-1.8 -4,-0.8 3,-1.3 0.727 71.8 92.7 -65.8 -18.1 -0.2 8.8 -4.5 182 187 A Y G X4 S+ 0 0 53 -3,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.884 86.7 40.0 -50.5 -54.1 1.5 11.5 -6.7 183 188 A P G 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 118.0 51.0 -69.4 -17.9 -1.5 14.0 -7.0 184 189 A Y G <4 S+ 0 0 42 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.713 94.9 84.7 -82.9 -28.3 -2.4 13.4 -3.3 185 190 A V S << S- 0 0 47 -4,-1.8 5,-0.2 -3,-0.6 3,-0.1 -0.604 90.1-100.5 -89.9 139.6 1.1 14.0 -1.9 186 191 A K > - 0 0 166 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.251 56.4 -87.4 -52.4 138.3 2.5 17.4 -1.1 187 192 A Y T 3 S+ 0 0 212 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 -0.249 115.2 17.3 -58.4 127.5 4.8 18.6 -3.8 188 193 A G T 3 S+ 0 0 67 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.329 106.5 86.3 94.4 -3.4 8.3 17.3 -3.2 189 194 A D < 0 0 113 -3,-2.4 -2,-0.1 -7,-0.1 -3,-0.1 0.452 360.0 360.0-108.4 -1.8 7.3 14.6 -0.7 190 195 A F 0 0 116 -4,-0.3 -1,-0.1 -5,-0.2 -3,-0.1 0.849 360.0 360.0 -82.8 360.0 6.5 11.8 -3.2