==== 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 3QZZ . 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) . 10316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 79.5 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 . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 49.5 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 1 0 1 0 2 0 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 0 110 0, 0.0 3,-1.3 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 103.5 -14.7 2.0 -24.0 2 7 A P T 3 + 0 0 102 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.142 360.0 7.9 -67.2 137.7 -15.6 5.6 -23.2 3 8 A G T 3 S+ 0 0 30 1,-0.2 2,-0.9 84,-0.0 121,-0.0 0.012 90.5 126.9 86.3 -28.4 -13.2 7.7 -21.3 4 9 A Y < + 0 0 35 -3,-1.3 -1,-0.2 1,-0.1 0, 0.0 -0.507 27.7 163.2 -64.4 103.5 -10.6 5.0 -21.5 5 10 A T > + 0 0 36 -2,-0.9 3,-2.2 -3,-0.1 2,-0.2 -0.055 3.8 155.7-127.0 28.2 -7.7 7.1 -22.9 6 11 A Y T 3 S+ 0 0 23 1,-0.2 98,-0.1 2,-0.1 97,-0.1 -0.415 76.0 24.2 -48.8 121.1 -4.6 5.0 -22.4 7 12 A G T 3 S+ 0 0 63 96,-0.3 -1,-0.2 -2,-0.2 97,-0.0 0.063 120.8 56.4 111.1 -21.9 -2.2 6.2 -25.0 8 13 A E < + 0 0 119 -3,-2.2 -2,-0.1 1,-0.1 95,-0.0 -0.117 63.8 107.0-139.5 26.8 -3.6 9.7 -25.6 9 14 A T + 0 0 25 2,-0.1 2,-0.8 94,-0.1 3,-0.1 0.875 51.7 178.8 -80.2 -47.5 -3.6 11.3 -22.1 10 15 A E + 0 0 169 1,-0.1 2,-0.3 93,-0.1 -1,-0.1 0.172 40.4 108.7 77.8 -7.8 -0.9 13.3 -23.5 11 16 A N S S- 0 0 69 -2,-0.8 2,-0.4 95,-0.1 -1,-0.1 -0.606 79.4-112.6 -70.3 148.7 -0.3 15.4 -20.5 12 17 A R - 0 0 162 -2,-0.3 94,-0.0 -3,-0.1 -1,-0.0 -0.820 20.4-109.4-113.7 137.4 3.0 13.9 -19.3 13 18 A A - 0 0 4 -2,-0.4 93,-0.1 89,-0.2 92,-0.1 -0.349 12.2-141.1 -75.4 132.6 3.8 12.0 -16.1 14 19 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.460 87.9 67.5 -73.9 -1.7 5.8 13.6 -13.3 15 20 A F S S- 0 0 3 90,-0.1 2,-0.1 3,-0.0 -2,-0.1 -0.909 72.9-158.5-112.9 152.4 7.6 10.3 -12.8 16 21 A N > - 0 0 63 -2,-0.3 4,-1.7 89,-0.0 5,-0.1 -0.351 34.6 -84.2-120.7-162.4 10.0 8.7 -15.3 17 22 A L H > S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 83,-0.0 0.641 124.6 48.9 -91.6 -18.6 11.5 5.4 -16.3 18 23 A E H > S+ 0 0 93 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.876 109.1 54.8 -76.1 -49.4 14.3 5.5 -13.9 19 24 A D H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.878 110.6 47.1 -45.7 -43.9 11.8 6.3 -11.1 20 25 A L H >X S+ 0 0 5 -4,-1.7 4,-3.3 1,-0.2 3,-0.9 0.964 108.2 53.0 -68.2 -51.7 9.9 3.2 -12.2 21 26 A K H 3X S+ 0 0 102 -4,-1.4 4,-1.3 1,-0.3 -1,-0.2 0.855 111.3 48.0 -49.1 -39.2 13.0 0.9 -12.3 22 27 A L H 3X S+ 0 0 87 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.758 112.4 48.0 -78.7 -25.1 13.8 2.0 -8.7 23 28 A L H S+ 0 0 40 -4,-3.3 5,-3.3 1,-0.2 3,-0.3 0.921 109.6 49.6 -42.0 -46.0 10.2 -2.0 -9.2 25 30 A E H ><5S+ 0 0 108 -4,-1.3 3,-1.6 -5,-0.3 -2,-0.2 0.908 106.1 51.7 -69.7 -45.5 13.2 -2.6 -7.0 26 31 A A H 3<5S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.781 114.0 47.4 -56.6 -26.3 11.6 -1.3 -3.8 27 32 A V T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.246 113.3-115.7-105.7 14.1 8.7 -3.7 -4.5 28 33 A M T < 5 + 0 0 148 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.745 61.9 154.2 56.4 29.3 10.9 -6.8 -5.3 29 34 A F < + 0 0 11 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.774 10.7 159.3 -97.7 123.8 9.6 -6.8 -9.0 30 35 A T > - 0 0 73 -2,-0.5 4,-0.6 -3,-0.1 -1,-0.0 -0.220 59.9 -84.2-118.3-157.3 12.0 -8.3 -11.5 31 36 A A H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.541 122.3 70.8 -86.9 -10.2 11.7 -9.8 -15.0 32 37 A E H > S+ 0 0 120 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.739 101.4 42.2 -79.1 -23.8 10.7 -13.0 -13.2 33 38 A D H > S+ 0 0 12 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.756 103.0 71.2 -84.0 -32.6 7.4 -11.4 -12.3 34 39 A E H X S+ 0 0 86 -4,-0.6 4,-1.6 1,-0.2 3,-0.4 0.946 103.7 40.0 -46.3 -59.2 7.2 -9.9 -15.8 35 40 A E H X S+ 0 0 63 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.932 116.8 50.4 -48.9 -50.9 6.6 -13.4 -17.3 36 41 A Y H < S+ 0 0 33 -4,-0.7 4,-0.5 1,-0.2 -2,-0.2 0.635 104.1 55.4 -83.2 -15.5 4.3 -14.4 -14.5 37 42 A I H >X S+ 0 0 6 -4,-2.7 3,-1.1 -3,-0.4 4,-0.9 0.929 108.5 50.5 -68.8 -50.2 2.1 -11.3 -14.6 38 43 A Q H >X S+ 0 0 110 -4,-1.6 3,-1.3 -5,-0.3 4,-1.1 0.900 106.1 55.1 -49.1 -48.0 1.4 -12.1 -18.3 39 44 A K H 3< S+ 0 0 72 -4,-1.9 4,-0.4 1,-0.3 -1,-0.3 0.745 100.0 60.7 -62.9 -23.9 0.5 -15.7 -17.5 40 45 A A H <> S+ 0 0 0 -3,-1.1 4,-3.4 -4,-0.5 -1,-0.3 0.747 99.3 59.9 -75.2 -24.0 -2.1 -14.4 -15.1 41 46 A G H 4 S+ 0 0 0 -4,-0.4 3,-0.6 -5,-0.2 4,-0.3 0.896 118.1 33.5 -89.3 -63.7 -5.7 -17.1 -16.8 44 49 A L H 3< S+ 0 0 1 -4,-3.4 3,-0.5 1,-0.2 4,-0.4 0.475 97.8 97.5 -72.3 -0.6 -7.9 -14.3 -15.5 45 50 A E T >< S+ 0 0 105 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.903 85.3 34.8 -60.4 -51.6 -8.9 -13.5 -19.1 46 51 A D T < S+ 0 0 93 -3,-0.6 -1,-0.2 1,-0.2 3,-0.2 0.568 115.0 56.8 -85.0 -9.0 -12.2 -15.3 -19.4 47 52 A Q T 3> + 0 0 18 -3,-0.5 4,-2.3 -4,-0.3 3,-0.5 0.335 65.6 116.7-105.2 6.1 -13.4 -14.7 -15.8 48 53 A V H <> S+ 0 0 10 -3,-0.7 4,-2.6 -4,-0.4 5,-0.2 0.862 78.0 48.7 -41.6 -49.8 -13.2 -10.9 -15.8 49 54 A E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 109.7 49.1 -63.6 -44.3 -17.0 -10.6 -15.3 50 55 A E H > S+ 0 0 91 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.834 111.7 53.5 -63.8 -31.3 -17.2 -13.1 -12.4 51 56 A I H >X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 3,-0.6 0.943 105.7 50.6 -63.7 -50.9 -14.3 -11.2 -10.9 52 57 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.842 107.2 56.3 -57.1 -32.9 -16.1 -7.9 -11.2 53 58 A D H 3< S+ 0 0 92 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.828 109.7 43.2 -72.1 -32.9 -19.1 -9.5 -9.5 54 59 A T H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 3,-1.2 0.957 109.9 46.7 -62.6 -51.1 -15.4 -7.1 -6.5 56 61 A W H 3X S+ 0 0 40 -4,-3.1 4,-1.6 1,-0.3 -1,-0.2 0.547 103.8 62.3 -80.4 -6.2 -18.7 -5.2 -6.6 57 62 A G H 34 S+ 0 0 48 -4,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.634 106.8 47.1 -85.2 -20.0 -20.1 -7.4 -3.8 58 63 A F H < S+ 0 0 7 -4,-2.0 3,-1.9 1,-0.2 7,-0.6 0.972 117.8 50.6 -65.2 -55.8 -17.9 -2.3 -2.7 60 65 A G T 3< S+ 0 0 45 -4,-1.6 -1,-0.2 1,-0.3 -3,-0.2 0.723 106.5 59.9 -50.5 -24.7 -21.7 -2.6 -3.0 61 66 A S T 34 S+ 0 0 71 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.708 95.0 66.5 -80.7 -20.0 -21.7 -4.1 0.5 62 67 A H XX - 0 0 77 -3,-1.9 4,-3.3 -4,-0.6 3,-2.7 -0.863 60.7-163.9-117.7 103.2 -20.1 -1.1 2.3 63 68 A P H 3> S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.853 92.5 55.2 -54.8 -41.2 -22.1 2.1 2.5 64 69 A H H 34 S+ 0 0 147 2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.487 118.7 35.8 -71.2 -1.8 -19.0 4.2 3.5 65 70 A L H X4 S+ 0 0 26 -3,-2.7 3,-2.0 -6,-0.3 -1,-0.2 0.681 112.3 53.6-117.0 -46.7 -17.3 2.9 0.3 66 71 A L H >< S+ 0 0 39 -4,-3.3 3,-3.0 -7,-0.6 4,-0.5 0.853 92.8 85.2 -45.4 -37.5 -20.2 2.7 -2.0 67 72 A Y G >< S+ 0 0 108 -4,-2.1 3,-1.2 -5,-0.5 62,-0.3 0.768 78.4 62.7 -27.4 -39.6 -20.3 6.3 -0.7 68 73 A Y G < S+ 0 0 32 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.524 101.7 46.2 -86.2 -7.5 -17.8 7.1 -3.5 69 74 A F G < S+ 0 0 29 -3,-3.0 8,-2.0 -4,-0.1 -1,-0.3 0.321 92.1 119.2-105.1 3.3 -20.0 6.3 -6.4 70 75 A T B < -A 76 0A 15 -3,-1.2 59,-0.5 -4,-0.5 -3,-0.0 -0.469 60.3-129.5 -84.5 140.5 -23.1 8.2 -5.0 71 76 A S > - 0 0 25 4,-3.0 3,-2.3 -2,-0.2 57,-0.2 -0.287 43.2 -95.4 -63.2 163.0 -25.0 11.2 -6.4 72 77 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.858 125.0 67.7 -53.2 -36.9 -25.6 14.1 -4.0 73 78 A D T 3 S- 0 0 118 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.382 119.3-112.7 -69.2 7.8 -29.0 12.7 -3.1 74 79 A G S < S+ 0 0 53 -3,-2.3 -1,-0.1 1,-0.3 -4,-0.1 0.563 79.4 119.6 77.3 9.4 -26.9 9.9 -1.5 75 80 A T S S- 0 0 66 -4,-0.1 -4,-3.0 -6,-0.0 -1,-0.3 -0.757 75.5 -92.0 -97.8 154.7 -28.0 7.2 -3.9 76 81 A P B -A 70 0A 47 0, 0.0 2,-1.1 0, 0.0 -6,-0.2 -0.491 34.5-129.9 -61.5 124.0 -25.6 5.2 -6.1 77 82 A N >> - 0 0 24 -8,-2.0 4,-0.9 -2,-0.3 3,-0.8 -0.694 20.4-162.6 -78.4 99.9 -25.3 6.9 -9.5 78 83 A E H 3> S+ 0 0 125 -2,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.751 86.0 54.4 -63.8 -27.6 -25.9 3.8 -11.7 79 84 A K H 3> S+ 0 0 148 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.897 104.1 55.7 -67.5 -40.8 -24.4 5.5 -14.8 80 85 A Y H <> S+ 0 0 17 -3,-0.8 4,-1.2 1,-0.2 -2,-0.2 0.712 110.7 46.2 -65.7 -23.7 -21.2 6.2 -12.9 81 86 A L H X S+ 0 0 30 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.884 107.8 50.7 -90.4 -45.7 -20.8 2.5 -12.0 82 87 A A H X S+ 0 0 62 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.886 113.8 49.7 -58.3 -37.8 -21.5 0.8 -15.3 83 88 A A H >X S+ 0 0 24 -4,-1.8 4,-1.3 2,-0.2 3,-1.1 0.961 112.7 42.9 -66.9 -56.0 -19.0 3.2 -16.9 84 89 A V H 3X S+ 0 0 30 -4,-1.2 4,-3.6 1,-0.3 5,-0.4 0.896 107.0 61.9 -55.9 -44.7 -16.2 2.6 -14.4 85 90 A R H 3X S+ 0 0 61 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.682 102.8 52.9 -61.7 -18.0 -16.8 -1.1 -14.4 86 91 A K H X S+ 0 0 39 -4,-0.8 4,-1.4 2,-0.2 3,-0.7 0.946 113.2 55.1 -83.6 -54.7 -5.9 -6.9 -18.7 94 99 A D H >X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 3,-1.4 0.921 107.3 54.4 -31.8 -58.6 -3.8 -3.8 -19.3 95 100 A T H 3< S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.861 114.3 38.9 -49.7 -43.2 -2.0 -4.7 -16.1 96 101 A S H << S+ 0 0 3 -4,-0.9 -1,-0.3 -3,-0.7 -55,-0.2 0.597 129.1 32.8 -81.0 -11.4 -1.2 -8.2 -17.4 97 102 A N H << S+ 0 0 103 -3,-1.4 -3,-0.2 -4,-1.4 -2,-0.2 0.853 88.9 82.9-120.1 -63.8 -0.5 -7.0 -20.9 98 103 A R S < S- 0 0 66 -4,-1.8 2,-0.2 -5,-0.2 0, 0.0 -0.261 75.6-121.5 -51.2 132.2 1.0 -3.5 -21.4 99 104 A S - 0 0 86 1,-0.1 2,-2.0 -3,-0.0 5,-0.3 -0.590 35.7-107.4 -65.7 142.2 4.8 -3.4 -21.1 100 105 A Y S S+ 0 0 29 -2,-0.2 -1,-0.1 4,-0.1 2,-0.1 -0.482 71.8 133.2 -82.6 78.0 5.5 -0.9 -18.3 101 106 A D S > S- 0 0 73 -2,-2.0 4,-2.0 -81,-0.0 5,-0.1 -0.053 73.4 -68.5-110.5-154.2 6.8 1.9 -20.5 102 107 A Q H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.970 131.2 50.7 -68.9 -54.1 6.3 5.7 -20.9 103 108 A A H >> S+ 0 0 34 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.921 110.2 51.8 -38.1 -56.9 2.7 5.4 -22.2 104 109 A W H >> S+ 0 0 2 -5,-0.3 4,-2.1 1,-0.3 3,-1.0 0.901 107.7 51.2 -54.3 -48.7 1.9 3.1 -19.2 105 110 A L H 3X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.840 104.0 58.6 -55.4 -36.5 3.3 5.6 -16.7 106 111 A D H X S+ 0 0 39 -4,-1.7 4,-2.2 -5,-0.2 3,-1.0 0.962 113.5 49.6 -66.0 -59.1 -0.8 9.3 -13.6 110 115 A E H 3X S+ 0 0 3 -4,-1.7 4,-1.4 1,-0.3 3,-0.3 0.905 110.0 48.8 -43.5 -57.1 -4.1 9.5 -15.3 111 116 A I H 3X S+ 0 0 28 -4,-4.2 4,-0.8 1,-0.3 -1,-0.3 0.746 111.2 51.2 -64.1 -25.9 -5.8 6.9 -13.2 112 117 A G H > S+ 0 0 71 -6,-2.2 3,-1.7 -7,-0.1 4,-0.7 0.382 92.1 133.2-127.5 3.2 -10.1 14.7 -12.3 120 125 A K T 3< S+ 0 0 7 -4,-0.5 -5,-0.1 -7,-0.5 8,-0.1 -0.269 80.3 8.3 -58.2 141.5 -12.7 12.8 -10.3 121 126 A N T 34>S+ 0 0 25 -7,-0.3 5,-1.4 1,-0.1 -1,-0.2 0.451 105.8 96.2 71.2 2.8 -16.2 12.7 -11.9 122 127 A Q T X45S+ 0 0 118 -3,-1.7 3,-0.9 3,-0.2 -2,-0.1 0.829 70.9 60.6 -95.8 -35.6 -15.0 14.4 -15.1 123 128 A T T 3<5S+ 0 0 41 -4,-0.7 -1,-0.1 1,-0.2 -3,-0.1 0.936 118.2 30.5 -51.8 -52.3 -14.4 11.3 -17.3 124 129 A D T 3 5S- 0 0 22 2,-0.1 -1,-0.2 -44,-0.0 -2,-0.2 0.133 105.3-125.4-101.6 19.7 -18.1 10.3 -17.1 125 130 A N T < 5 + 0 0 143 -3,-0.9 2,-0.2 1,-0.2 -3,-0.2 0.816 62.8 141.9 45.0 42.0 -19.4 13.9 -16.7 126 131 A V < - 0 0 12 -5,-1.4 2,-0.6 -46,-0.1 -1,-0.2 -0.689 53.4-124.6-112.8 163.5 -21.2 12.9 -13.5 127 132 A E + 0 0 152 -2,-0.2 2,-0.2 -3,-0.1 -47,-0.1 -0.941 54.2 120.3-111.8 116.0 -21.9 14.6 -10.2 128 133 A S - 0 0 24 -2,-0.6 -57,-0.2 -57,-0.2 -60,-0.1 -0.698 67.9 -30.0-146.9-163.4 -20.7 12.7 -7.2 129 134 A V - 0 0 14 -59,-0.5 -1,-0.2 -62,-0.3 3,-0.1 -0.331 54.5-136.7 -61.8 146.6 -18.3 13.1 -4.2 130 135 A P S S+ 0 0 80 0, 0.0 2,-0.4 0, 0.0 -10,-0.3 0.856 76.7 25.7 -85.0 -36.7 -15.3 15.3 -5.1 131 136 A N - 0 0 28 -14,-0.1 2,-0.6 -13,-0.0 -15,-0.2 -0.988 58.4-145.4-130.0 142.4 -12.4 13.3 -3.6 132 137 A I - 0 0 29 -17,-1.4 2,-0.1 -2,-0.4 5,-0.1 -0.908 40.2-115.4 -94.0 119.1 -11.7 9.7 -2.6 133 138 A G >> - 0 0 17 -2,-0.6 3,-2.9 1,-0.2 4,-0.7 -0.317 15.6-133.7 -59.2 124.5 -9.5 9.8 0.6 134 139 A Y H >> S+ 0 0 58 1,-0.3 4,-1.4 2,-0.2 3,-1.1 0.818 99.3 77.2 -49.6 -33.5 -6.1 8.4 -0.2 135 140 A R H 3> S+ 0 0 181 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.771 96.3 47.0 -48.7 -29.1 -6.3 6.3 2.9 136 141 A Y H <> S+ 0 0 72 -3,-2.9 4,-2.7 2,-0.2 -1,-0.3 0.773 101.5 61.6 -88.1 -27.9 -8.6 4.0 1.1 137 142 A L H << S+ 0 0 11 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.739 108.7 46.1 -67.1 -25.1 -6.5 3.7 -2.1 138 143 A V H >< S+ 0 0 67 -4,-1.4 3,-1.0 2,-0.1 4,-0.4 0.797 110.6 53.4 -82.1 -30.9 -3.8 2.2 0.1 139 144 A A H >< S+ 0 0 49 -4,-0.7 3,-1.4 -5,-0.3 -2,-0.2 0.910 97.1 64.0 -76.3 -42.9 -6.3 -0.0 1.9 140 145 A F T 3X S+ 0 0 50 -4,-2.7 4,-1.4 1,-0.3 -1,-0.3 0.430 81.1 82.2 -60.0 -2.0 -7.7 -1.6 -1.4 141 146 A I H <> S+ 0 0 28 -3,-1.0 4,-1.1 2,-0.2 -1,-0.3 0.954 92.9 49.9 -64.4 -47.8 -4.2 -3.1 -2.0 142 147 A Y H X> S+ 0 0 166 -3,-1.4 4,-1.8 -4,-0.4 3,-0.7 0.931 114.8 38.9 -53.7 -58.1 -5.3 -5.9 0.4 143 148 A P H 3> S+ 0 0 17 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.682 112.0 57.9 -72.5 -18.5 -8.7 -6.7 -1.2 144 149 A I H 3< S+ 0 0 13 -4,-1.4 -2,-0.2 3,-0.1 4,-0.2 0.707 117.8 35.2 -76.1 -18.2 -7.4 -6.3 -4.8 145 150 A T H XX S+ 0 0 4 -4,-1.1 3,-1.8 -3,-0.7 4,-0.9 0.889 115.8 46.4 -94.2 -75.4 -4.8 -8.9 -4.0 146 151 A A H >< S+ 0 0 21 -4,-1.8 3,-0.7 1,-0.3 -2,-0.1 0.774 115.9 47.5 -32.7 -47.1 -6.4 -11.5 -1.7 147 152 A T T 3< S+ 0 0 53 -4,-0.6 4,-0.4 -5,-0.3 -1,-0.3 0.689 102.5 59.9 -86.7 -19.6 -9.5 -11.7 -3.8 148 153 A M T X> S+ 0 0 7 -3,-1.8 4,-0.6 -4,-0.2 3,-0.6 0.730 93.4 77.0 -64.9 -22.1 -7.8 -12.1 -7.1 149 154 A K H XX S+ 0 0 60 -4,-0.9 3,-1.9 -3,-0.7 4,-1.2 0.900 83.0 53.0 -70.2 -51.4 -6.2 -15.2 -5.8 150 155 A P H 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.817 108.8 56.9 -51.9 -27.5 -8.9 -17.9 -5.9 151 156 A F H X4 S+ 0 0 29 -3,-0.6 3,-0.5 -4,-0.4 4,-0.5 0.684 101.7 52.9 -80.6 -20.0 -9.3 -16.9 -9.5 152 157 A L H << S+ 0 0 0 -3,-1.9 -1,-0.2 -4,-0.6 5,-0.2 0.675 98.6 67.6 -80.6 -18.8 -5.6 -17.7 -10.2 153 158 A A T 3< S+ 0 0 54 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.1 0.181 95.1 64.3 -83.9 17.4 -6.2 -21.1 -8.7 154 159 A R < + 0 0 149 -3,-0.5 2,-0.8 1,-0.1 -1,-0.1 0.901 69.4 72.3-111.7 -63.3 -8.4 -22.1 -11.6 155 160 A K S S- 0 0 114 -4,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.323 111.9 -92.7 -64.4 15.1 -7.2 -22.4 -15.2 156 161 A G S S+ 0 0 68 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.961 72.4 148.2 85.3 56.7 -5.3 -25.6 -14.2 157 162 A H - 0 0 61 -5,-0.2 -1,-0.2 2,-0.0 5,-0.0 -0.771 55.5 -88.5-120.2 164.4 -1.8 -24.6 -13.2 158 163 A T >> - 0 0 75 -2,-0.3 3,-3.6 1,-0.1 4,-1.0 -0.628 41.1-120.3 -80.0 116.5 0.7 -26.0 -10.7 159 164 A P H 3> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.611 114.7 59.6 -32.0 -31.9 0.2 -24.3 -7.3 160 165 A E H 3> S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 105.3 47.7 -61.0 -48.4 3.8 -23.0 -7.5 161 166 A E H <> S+ 0 0 34 -3,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.814 109.6 54.8 -61.3 -31.7 2.8 -21.2 -10.7 162 167 A V H X S+ 0 0 10 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.930 108.3 47.7 -67.0 -45.6 -0.2 -20.0 -8.8 163 168 A E H X S+ 0 0 78 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.960 110.7 51.1 -55.2 -52.1 2.0 -18.6 -6.1 164 169 A K H X S+ 0 0 100 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.831 113.4 46.3 -60.8 -31.3 4.2 -16.9 -8.6 165 170 A M H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.961 111.9 49.6 -71.9 -55.6 1.2 -15.3 -10.2 166 171 A Y H X S+ 0 0 47 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.927 113.4 47.5 -38.9 -56.9 -0.4 -14.2 -6.9 167 172 A Q H X S+ 0 0 71 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.942 110.2 49.1 -64.3 -55.1 2.9 -12.6 -5.9 168 173 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 5,-0.2 0.944 112.7 50.9 -41.3 -55.8 3.5 -10.8 -9.1 169 174 A W H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-0.3 0.911 110.0 48.4 -51.5 -48.6 -0.1 -9.5 -8.8 170 175 A F H X S+ 0 0 88 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.903 111.8 51.2 -58.9 -41.2 0.5 -8.4 -5.3 171 176 A K H X S+ 0 0 44 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.805 113.1 43.7 -65.9 -32.3 3.7 -6.6 -6.4 172 177 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.3 -1,-0.2 0.782 108.8 54.9 -91.0 -28.5 2.0 -4.8 -9.3 173 178 A T H X S+ 0 0 5 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.911 113.5 45.0 -65.3 -40.8 -1.1 -3.7 -7.4 174 179 A T H X S+ 0 0 38 -4,-1.8 4,-3.2 -5,-0.2 -2,-0.2 0.976 109.3 53.3 -67.1 -58.7 1.3 -2.1 -4.8 175 180 A L H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.894 111.8 49.5 -34.4 -49.7 3.5 -0.5 -7.4 176 181 A Q H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 3,-0.4 0.981 110.2 44.6 -67.5 -59.0 0.4 1.0 -8.9 177 182 A V H X S+ 0 0 8 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.926 109.4 61.4 -42.9 -48.1 -1.1 2.5 -5.8 178 183 A A H >< S+ 0 0 32 -4,-3.2 3,-0.6 1,-0.2 -1,-0.2 0.907 110.3 38.1 -48.0 -51.4 2.4 3.7 -4.9 179 184 A L H >< S+ 0 0 3 -4,-1.9 3,-2.4 -3,-0.4 -1,-0.2 0.883 105.3 67.9 -67.1 -42.1 2.4 5.8 -8.1 180 185 A W H 3< S+ 0 0 26 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.774 85.1 73.0 -49.7 -27.8 -1.2 6.9 -7.8 181 186 A S T XX + 0 0 13 -4,-1.3 4,-2.1 -3,-0.6 3,-1.5 0.588 68.8 98.6 -69.3 -6.9 -0.4 8.9 -4.8 182 187 A Y G X4 S+ 0 0 56 -3,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.922 85.1 40.2 -48.9 -64.0 1.3 11.5 -6.9 183 188 A P G 34 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.666 116.7 56.8 -60.3 -10.8 -1.5 14.1 -7.1 184 189 A Y G <4 S+ 0 0 41 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.860 91.1 78.9 -88.3 -38.6 -2.2 13.3 -3.4 185 190 A V S << S- 0 0 51 -4,-2.1 2,-0.2 -3,-0.7 5,-0.1 -0.355 92.2 -97.2 -78.5 148.8 1.1 14.1 -1.8 186 191 A K > - 0 0 165 1,-0.1 3,-2.6 3,-0.1 4,-0.3 -0.455 56.7 -92.0 -57.7 129.6 2.4 17.5 -1.0 187 192 A Y T 3 S+ 0 0 213 1,-0.3 -1,-0.1 -2,-0.2 -5,-0.0 -0.231 115.5 28.1 -44.9 125.9 4.7 18.6 -3.8 188 193 A G T 3 S+ 0 0 63 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.151 104.4 77.6 107.8 -17.1 8.2 17.6 -2.9 189 194 A D < 0 0 112 -3,-2.6 -2,-0.1 1,-0.1 -3,-0.1 0.454 360.0 360.0-106.2 -2.2 7.4 14.6 -0.7 190 195 A F 0 0 116 -4,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.873 360.0 360.0 -73.9 360.0 6.6 11.9 -3.3