==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-BINDING PROTEIN 18-JAN-13 3ZJJ . COMPND 2 MOLECULE: PROTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR A.PESCE,L.TILLEMAN,J.DONNE',E.ASTE,P.ASCENZI,C.CIACCIO,M.COL . 570 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 77.4 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 . 8 1.4 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 . 3 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 . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 2 0 0 0 3 0 2 3 6 0 0 0 0 0 4 0 3 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 . 4 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 0 111 0, 0.0 3,-1.6 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 106.7 -8.4 1.5 14.9 2 7 A P T 3 + 0 0 97 0, 0.0 3,-0.1 0, 0.0 85,-0.1 -0.279 360.0 7.3 -61.7 129.2 -8.3 5.0 16.4 3 8 A G T 3 S+ 0 0 26 1,-0.2 2,-0.7 84,-0.0 121,-0.1 0.101 92.3 127.3 88.9 -20.8 -5.3 7.0 15.4 4 9 A Y < + 0 0 40 -3,-1.6 -1,-0.2 1,-0.1 83,-0.0 -0.629 24.3 163.5 -72.2 112.4 -4.1 4.4 12.9 5 10 A T >> + 0 0 36 -2,-0.7 3,-2.4 -3,-0.1 4,-0.5 -0.097 6.7 156.0-127.4 29.9 -3.6 6.4 9.6 6 11 A Y T 34 S+ 0 0 20 1,-0.3 98,-0.1 2,-0.2 97,-0.0 -0.427 79.3 16.9 -58.5 134.2 -1.5 4.1 7.5 7 12 A G T 34 S+ 0 0 62 96,-0.4 -1,-0.3 -2,-0.1 97,-0.1 0.146 122.6 67.6 81.0 -16.2 -2.2 5.0 3.9 8 13 A E T <4 + 0 0 152 -3,-2.4 -2,-0.2 95,-0.1 -1,-0.0 0.287 63.5 143.9-119.4 9.5 -3.7 8.4 5.0 9 14 A T < - 0 0 26 -4,-0.5 98,-0.1 1,-0.1 97,-0.0 -0.123 51.9-131.9 -61.0 150.4 -0.8 10.4 6.5 10 15 A E S S+ 0 0 109 2,-0.0 2,-0.3 100,-0.0 -1,-0.1 0.541 82.9 58.7 -75.3 -11.1 -0.6 14.2 6.0 11 16 A N S S- 0 0 67 95,-0.1 2,-0.4 0, 0.0 99,-0.1 -0.910 72.0-128.9-128.2 150.0 3.0 14.1 4.9 12 17 A R - 0 0 170 -2,-0.3 91,-0.1 1,-0.1 -2,-0.0 -0.776 43.1-109.6 -83.8 137.9 5.4 12.6 2.3 13 18 A A - 0 0 9 -2,-0.4 93,-0.1 89,-0.2 -1,-0.1 -0.368 14.6-130.8 -66.2 145.3 8.4 11.0 3.9 14 19 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.427 92.9 66.7 -77.2 4.8 11.7 12.9 3.4 15 20 A F - 0 0 3 87,-0.1 -2,-0.2 90,-0.1 2,-0.1 -0.966 69.1-161.9-125.3 144.2 13.1 9.4 2.3 16 21 A N > - 0 0 84 -2,-0.3 4,-2.3 89,-0.0 5,-0.2 -0.470 42.1 -80.6-117.4-175.7 12.3 7.4 -0.9 17 22 A L H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.671 126.9 55.9 -65.6 -13.6 12.6 3.8 -2.2 18 23 A E H > S+ 0 0 101 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.891 107.3 47.6 -83.7 -44.5 16.2 4.4 -3.2 19 24 A D H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.919 114.8 49.4 -47.2 -48.4 17.1 5.5 0.4 20 25 A L H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.864 106.6 52.8 -66.1 -42.1 15.2 2.3 1.4 21 26 A K H X S+ 0 0 98 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.925 112.3 46.4 -57.7 -48.2 17.1 0.0 -1.0 22 27 A L H X S+ 0 0 44 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.864 113.1 49.2 -64.8 -39.1 20.4 1.3 0.3 23 28 A L H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.897 107.6 54.4 -65.3 -40.9 19.2 0.9 4.0 24 29 A K H <>S+ 0 0 46 -4,-2.8 5,-2.8 1,-0.2 3,-0.3 0.891 106.8 52.8 -60.6 -40.0 18.1 -2.7 3.3 25 30 A E H ><5S+ 0 0 60 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.872 105.7 52.6 -61.3 -42.3 21.5 -3.5 2.0 26 31 A A H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 112.3 46.0 -65.1 -23.1 23.2 -2.1 5.2 27 32 A V T 3<5S- 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.252 113.2-118.5-105.3 10.1 20.9 -4.4 7.3 28 33 A M T < 5 + 0 0 56 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.841 59.5 156.1 58.7 37.6 21.5 -7.5 5.0 29 34 A F < + 0 0 11 -5,-2.8 2,-0.2 -6,-0.1 -1,-0.2 -0.852 9.9 157.1-103.9 128.1 17.9 -7.7 4.1 30 35 A T >> - 0 0 73 -2,-0.5 4,-1.3 -5,-0.0 3,-1.1 -0.723 59.8 -78.0-138.0 179.3 17.0 -9.4 0.8 31 36 A A H 3> S+ 0 0 60 1,-0.2 4,-1.1 -2,-0.2 -2,-0.0 0.833 125.1 63.2 -52.1 -34.0 14.1 -11.1 -1.0 32 37 A E H 3> S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.856 102.7 49.2 -62.9 -33.1 14.9 -14.2 1.1 33 38 A D H <> S+ 0 0 14 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.873 98.7 64.9 -73.7 -38.1 14.0 -12.3 4.3 34 39 A E H X S+ 0 0 87 -4,-1.3 4,-1.6 1,-0.3 -1,-0.2 0.804 103.9 47.7 -63.6 -27.3 10.7 -11.0 3.0 35 40 A E H X S+ 0 0 90 -4,-1.1 4,-2.1 2,-0.2 -1,-0.3 0.850 110.6 51.4 -76.7 -32.3 9.3 -14.5 2.9 36 41 A Y H X S+ 0 0 37 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.815 109.1 50.3 -73.6 -27.2 10.6 -15.3 6.4 37 42 A I H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.919 108.8 51.8 -71.9 -44.9 9.0 -12.1 7.8 38 43 A Q H X S+ 0 0 96 -4,-1.6 4,-1.7 1,-0.2 3,-0.3 0.923 111.0 49.2 -50.6 -45.2 5.6 -13.2 6.1 39 44 A K H X S+ 0 0 84 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.861 106.2 56.3 -64.8 -36.3 6.1 -16.6 7.8 40 45 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.837 105.9 51.6 -64.0 -32.4 6.8 -14.8 11.2 41 46 A G H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.3 -2,-0.2 0.909 106.2 52.3 -70.4 -43.2 3.4 -13.0 10.9 42 47 A E H < S+ 0 0 113 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.879 114.3 45.1 -58.9 -38.2 1.5 -16.3 10.3 43 48 A V H < S+ 0 0 4 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.894 119.8 38.8 -69.4 -43.7 3.2 -17.6 13.4 44 49 A L H >X S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 4,-0.5 0.730 91.4 88.6 -84.1 -24.3 2.6 -14.5 15.6 45 50 A E G >< S+ 0 0 102 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.856 94.6 37.4 -47.8 -55.3 -0.9 -13.5 14.4 46 51 A D G 34 S+ 0 0 117 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.401 115.8 58.1 -81.0 7.5 -3.0 -15.5 16.9 47 52 A Q G X> + 0 0 16 -3,-2.2 4,-1.7 1,-0.1 3,-0.8 0.433 69.3 109.7-107.4 -1.0 -0.4 -14.8 19.6 48 53 A V H S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 109.9 39.6 -64.4 -46.9 -2.3 -10.7 22.9 50 55 A E H <> S+ 0 0 97 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.757 113.0 56.5 -74.2 -25.2 0.4 -12.4 25.0 51 56 A I H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.965 110.1 46.1 -64.8 -50.3 3.1 -10.7 22.9 52 57 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.903 112.1 49.7 -58.0 -45.9 1.6 -7.4 23.9 53 58 A D H X S+ 0 0 90 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.860 113.0 47.5 -60.5 -38.7 1.2 -8.4 27.6 54 59 A T H X S+ 0 0 66 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.909 113.6 48.8 -66.1 -43.9 4.9 -9.5 27.6 55 60 A W H >X S+ 0 0 21 -4,-3.1 4,-2.1 2,-0.2 3,-1.1 0.984 116.0 40.1 -61.0 -59.4 5.9 -6.3 25.9 56 61 A Y H 3X S+ 0 0 35 -4,-3.2 4,-3.2 1,-0.3 -1,-0.2 0.811 108.4 64.9 -63.6 -25.6 3.9 -4.0 28.3 57 62 A G H 3X S+ 0 0 44 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.3 0.873 106.5 42.6 -55.9 -41.2 5.1 -6.3 31.1 58 63 A F H << S+ 0 0 19 -4,-1.5 3,-0.4 -3,-1.1 4,-0.3 0.908 116.5 45.6 -72.2 -47.3 8.6 -5.1 30.3 59 64 A V H >< S+ 0 0 4 -4,-2.1 3,-1.3 1,-0.2 7,-0.6 0.936 112.3 54.2 -61.8 -44.3 7.7 -1.4 29.9 60 65 A G H 3< S+ 0 0 35 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.700 100.5 57.4 -62.2 -29.5 5.6 -1.5 33.1 61 66 A S T 3< S+ 0 0 80 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.404 98.4 65.9 -90.1 5.9 8.3 -2.9 35.4 62 67 A H X> - 0 0 36 -3,-1.3 4,-2.7 -4,-0.3 3,-1.9 -0.935 66.9-160.9-126.6 104.1 10.7 -0.0 34.7 63 68 A P H 3> S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.849 91.5 58.8 -55.6 -35.2 9.4 3.3 36.0 64 69 A H H 34 S+ 0 0 30 1,-0.2 4,-0.1 2,-0.2 -5,-0.0 0.639 115.5 37.5 -67.9 -12.6 11.8 5.3 33.7 65 70 A L H X4 S+ 0 0 4 -3,-1.9 3,-1.6 -6,-0.3 4,-0.2 0.778 112.2 52.4-100.4 -46.0 10.2 3.6 30.7 66 71 A L H >< S+ 0 0 38 -4,-2.7 3,-3.1 -7,-0.6 4,-0.2 0.880 95.0 82.3 -57.7 -33.9 6.5 3.4 31.9 67 72 A Y G >< S+ 0 0 112 -4,-2.1 3,-1.8 -5,-0.3 62,-0.4 0.725 76.9 64.2 -32.7 -45.5 7.3 7.2 32.3 68 73 A Y G < S+ 0 0 34 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.634 105.7 45.1 -68.9 -12.7 6.6 7.8 28.6 69 74 A F G < S+ 0 0 28 -3,-3.1 8,-2.5 -4,-0.2 -1,-0.3 0.286 95.0 114.6-101.9 5.4 3.0 6.8 29.1 70 75 A T B < -A 76 0A 11 -3,-1.8 59,-0.4 6,-0.2 -3,-0.0 -0.451 62.3-125.0 -91.7 156.3 2.4 8.8 32.3 71 76 A S > - 0 0 30 4,-3.7 3,-2.1 -2,-0.1 57,-0.1 -0.362 43.3 -96.7 -78.1 166.1 0.2 11.7 33.3 72 77 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.816 124.6 66.1 -57.3 -29.0 1.8 14.8 34.9 73 78 A D T 3 S- 0 0 117 2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 0.402 120.6-109.3 -71.5 5.7 0.9 13.4 38.3 74 79 A G S < S+ 0 0 52 -3,-2.1 -1,-0.1 1,-0.3 -4,-0.1 0.416 81.3 119.8 81.7 1.1 3.3 10.5 37.6 75 80 A T S S- 0 0 70 1,-0.1 -4,-3.7 -6,-0.0 -1,-0.3 -0.673 73.2 -93.1 -98.5 153.1 0.7 7.8 37.1 76 81 A P B -A 70 0A 54 0, 0.0 2,-0.9 0, 0.0 -6,-0.2 -0.351 31.6-128.4 -63.7 141.6 0.1 5.8 33.9 77 82 A N > - 0 0 27 -8,-2.5 4,-2.0 1,-0.2 3,-0.2 -0.824 23.0-164.4 -88.3 107.9 -2.4 7.3 31.6 78 83 A E H > S+ 0 0 126 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.827 84.8 51.7 -69.2 -30.6 -4.6 4.2 31.0 79 84 A K H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.824 109.3 52.5 -74.0 -28.1 -6.5 5.5 28.0 80 85 A Y H > S+ 0 0 16 2,-0.2 4,-2.2 -11,-0.2 5,-0.2 0.934 110.6 46.6 -69.9 -46.3 -3.1 6.3 26.4 81 86 A L H X S+ 0 0 22 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.898 113.2 48.1 -63.7 -42.4 -1.7 2.8 26.9 82 87 A A H X S+ 0 0 40 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.882 113.0 47.9 -69.9 -36.9 -4.8 1.1 25.7 83 88 A A H X S+ 0 0 21 -4,-1.7 4,-0.9 2,-0.2 3,-0.3 0.905 114.5 45.0 -67.5 -45.1 -5.0 3.2 22.5 84 89 A V H >X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.875 103.4 65.1 -70.6 -38.2 -1.4 2.7 21.7 85 90 A R H 3X S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 101.0 53.2 -46.2 -39.5 -1.6 -1.0 22.4 86 91 A K H 3X S+ 0 0 122 -4,-1.0 4,-1.3 -3,-0.3 -1,-0.2 0.835 109.4 44.4 -75.0 -34.5 -4.0 -1.3 19.4 87 92 A R H X S+ 0 0 69 -4,-1.3 4,-2.6 1,-0.2 3,-0.5 0.894 103.9 59.2 -63.5 -43.1 -1.3 -3.6 14.2 91 96 A W H 3X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.846 97.9 60.8 -55.3 -35.8 2.4 -2.8 13.6 92 97 A I H 3X S+ 0 0 1 -4,-1.7 4,-1.1 -3,-0.2 -1,-0.2 0.925 111.3 40.3 -56.6 -40.8 3.2 -6.5 14.3 93 98 A L H S- 0 0 71 -2,-2.0 4,-2.3 -81,-0.0 3,-0.3 -0.289 76.7 -69.6-103.8-166.2 6.8 0.6 -0.6 102 107 A Q H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -89,-0.2 0.816 131.6 53.1 -57.1 -35.5 6.4 4.4 -0.4 103 108 A A H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -96,-0.4 0.871 108.3 50.5 -69.7 -38.8 3.2 4.2 1.7 104 109 A W H > S+ 0 0 1 -3,-0.3 4,-1.9 -5,-0.2 -2,-0.2 0.952 111.8 48.7 -57.8 -49.5 5.1 2.0 4.2 105 110 A L H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.848 107.6 54.2 -58.1 -39.8 7.8 4.6 4.2 106 111 A D H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.857 109.8 48.2 -67.3 -33.0 5.3 7.4 4.8 107 112 A Y H X S+ 0 0 9 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.840 105.8 56.6 -76.5 -30.0 4.0 5.6 7.8 108 113 A Q H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.808 106.3 51.4 -65.5 -32.8 7.5 5.0 9.2 109 114 A Y H X S+ 0 0 46 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.946 110.9 49.3 -67.8 -44.1 8.0 8.8 9.1 110 115 A E H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.884 109.3 49.0 -57.7 -50.3 4.7 9.2 11.0 111 116 A I H X S+ 0 0 22 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.871 111.7 52.3 -62.0 -35.6 5.6 6.6 13.7 112 117 A G H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.891 108.8 49.1 -64.1 -41.6 8.9 8.5 14.0 113 118 A L H < S+ 0 0 4 -4,-2.3 6,-2.6 1,-0.2 7,-0.5 0.833 108.0 55.9 -64.4 -33.9 7.1 11.8 14.5 114 119 A R H < S+ 0 0 36 -4,-1.9 7,-0.2 5,-0.2 -2,-0.2 0.799 109.3 42.9 -75.3 -35.1 4.8 10.2 17.1 115 120 A H H < S+ 0 0 60 -4,-1.5 17,-1.6 5,-0.1 -1,-0.2 0.822 110.6 72.5 -68.5 -38.5 7.6 9.0 19.4 116 121 A H S >X S- 0 0 7 -4,-1.6 4,-1.8 15,-0.2 3,-0.7 -0.332 101.5-104.0 -73.1 161.1 9.4 12.5 18.9 117 122 A R T 34 S+ 0 0 108 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.809 110.4 78.5 -56.3 -30.3 8.2 15.8 20.4 118 123 A T T 34 S- 0 0 68 1,-0.2 -1,-0.2 65,-0.1 -4,-0.2 0.908 119.6 -1.2 -46.3 -55.7 6.8 16.8 16.9 119 124 A K T X> S+ 0 0 30 -6,-2.6 3,-1.8 -3,-0.7 4,-0.8 0.410 90.6 133.8-121.3 3.0 3.6 14.6 17.2 120 125 A K T 3< S+ 0 0 6 -4,-1.8 -5,-0.1 -7,-0.5 8,-0.1 -0.328 81.0 7.9 -56.9 136.8 3.8 12.8 20.6 121 126 A N T 34>S+ 0 0 25 -7,-0.2 5,-2.3 6,-0.1 -1,-0.2 0.350 105.6 94.7 77.6 -5.1 0.5 12.9 22.6 122 127 A Q T X45S+ 0 0 124 -3,-1.8 3,-0.6 3,-0.2 -2,-0.1 0.857 75.0 59.2 -84.1 -42.3 -1.5 14.5 19.7 123 128 A T T 3<5S+ 0 0 40 -4,-0.8 -1,-0.1 1,-0.2 -3,-0.1 0.888 119.8 27.9 -49.4 -47.0 -2.9 11.3 18.2 124 129 A D T 3 5S- 0 0 17 2,-0.1 -1,-0.2 -121,-0.1 -2,-0.2 0.440 106.5-123.2-100.0 2.8 -4.7 10.3 21.4 125 130 A N T < 5 + 0 0 143 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.946 59.6 150.6 53.4 55.4 -5.1 13.9 22.6 126 131 A V < - 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0 0 44 -2,-0.2 2,-1.5 1,-0.1 5,-0.3 -0.667 33.7-123.7 -65.3 134.3 34.2 -2.1 33.3 291 105 B Y + 0 0 24 -2,-0.3 2,-0.1 4,-0.1 -1,-0.1 -0.711 64.2 132.1 -88.8 84.7 31.6 0.1 31.8 292 106 B D S > S- 0 0 16 -2,-1.5 4,-2.1 -81,-0.0 5,-0.1 -0.280 77.4 -65.1-118.1-158.5 32.3 3.2 34.0 293 107 B Q H > S+ 0 0 1 95,-0.5 4,-2.2 1,-0.2 -89,-0.3 0.845 132.1 55.1 -68.5 -31.9 32.9 6.9 33.3 294 108 B A H > S+ 0 0 7 94,-0.2 4,-1.9 2,-0.2 -96,-0.5 0.893 109.7 46.7 -61.1 -46.8 36.1 6.2 31.4 295 109 B W H > S+ 0 0 0 -5,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.918 112.8 50.0 -58.5 -47.9 34.2 3.8 29.0 296 110 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.871 107.6 53.1 -60.0 -42.6 31.4 6.3 28.6 297 111 B D H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.910 111.1 47.7 -62.6 -40.5 33.8 9.1 27.8 298 112 B Y H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.845 108.1 53.6 -66.2 -38.0 35.2 6.8 25.1 299 113 B Q H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.900 108.7 50.9 -60.5 -40.3 31.7 6.0 23.8 300 114 B Y H X S+ 0 0 46 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.975 110.8 49.5 -59.8 -50.1 31.1 9.8 23.5 301 115 B E H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.847 108.8 50.4 -53.8 -48.0 34.4 10.0 21.6 302 116 B I H X S+ 0 0 20 -4,-2.5 4,-1.4 2,-0.2 5,-0.2 0.899 110.1 51.8 -61.4 -39.8 33.6 7.2 19.2 303 117 B G H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.913 108.5 50.6 -61.2 -42.1 30.3 8.8 18.4 304 118 B L H < S+ 0 0 6 -4,-2.2 6,-1.7 1,-0.2 7,-0.5 0.805 106.8 56.5 -63.1 -29.8 32.1 12.1 17.7 305 119 B R H < S+ 0 0 31 -4,-1.5 7,-0.2 1,-0.2 -1,-0.2 0.777 109.0 42.9 -78.5 -30.1 34.4 10.3 15.3 306 120 B H H < S+ 0 0 60 -4,-1.4 17,-1.8 -3,-0.3 -1,-0.2 0.769 110.1 74.3 -73.9 -35.4 31.6 8.9 13.1 307 121 B H S >X S- 0 0 7 -4,-1.7 4,-1.6 -5,-0.2 3,-1.2 -0.330 100.7-106.7 -74.5 163.9 29.9 12.3 13.3 308 122 B R T 34 S+ 0 0 106 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.768 108.8 80.9 -62.2 -26.4 31.1 15.4 11.4 309 123 B T T 34 S- 0 0 69 1,-0.2 -1,-0.2 65,-0.1 -4,-0.2 0.814 119.7 -3.7 -46.4 -40.8 32.4 16.8 14.7 310 124 B K T X> S+ 0 0 37 -6,-1.7 3,-1.7 -3,-1.2 4,-0.7 0.348 90.2 134.4-141.7 1.5 35.7 14.7 14.6 311 125 B K T 3< S+ 0 0 10 -4,-1.6 -5,-0.1 -7,-0.5 8,-0.1 -0.411 81.0 11.0 -60.4 133.4 35.5 12.4 11.6 312 126 B N T 34>S+ 0 0 26 -7,-0.2 5,-1.3 6,-0.1 -1,-0.2 0.391 105.2 92.8 77.7 3.6 38.8 12.4 9.6 313 127 B Q T <45S+ 0 0 121 -3,-1.7 3,-0.4 3,-0.2 -2,-0.1 0.797 75.1 60.0 -88.1 -35.9 40.8 14.2 12.3 314 128 B T T <5S+ 0 0 40 -4,-0.7 -1,-0.1 1,-0.2 -3,-0.1 0.892 119.0 29.2 -63.1 -39.0 42.2 11.2 14.2 315 129 B D T 5S- 0 0 13 2,-0.1 -1,-0.2 -121,-0.1 -2,-0.1 0.414 104.3-125.5-100.2 2.1 44.0 9.9 11.2 316 130 B N T 5 + 0 0 144 -3,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.926 62.3 142.7 51.6 49.5 44.6 13.3 9.6 317 131 B V < - 0 0 15 -5,-1.3 2,-0.5 -47,-0.0 -1,-0.2 -0.771 53.8-123.9-116.3 159.3 42.9 12.1 6.4 318 132 B E + 0 0 157 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.1 -0.948 55.5 120.8-108.4 123.5 40.7 13.8 3.8 319 133 B S - 0 0 18 -2,-0.5 -57,-0.2 -57,-0.2 -59,-0.1 -0.856 65.1 -29.0-163.2-176.0 37.4 12.0 3.3 320 134 B V - 0 0 12 -59,-0.6 3,-0.1 -62,-0.4 -1,-0.0 -0.277 54.1-135.5 -56.6 135.9 33.6 12.3 3.6 321 135 B P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -10,-0.3 0.794 77.7 19.2 -65.4 -31.0 32.7 14.8 6.3 322 136 B N - 0 0 17 -13,-0.1 2,-0.7 -14,-0.1 -15,-0.2 -0.999 58.4-138.8-146.2 140.1 29.9 12.8 8.0 323 137 B I - 0 0 26 -17,-1.8 5,-0.1 -2,-0.3 -15,-0.1 -0.895 41.7-119.8 -96.1 111.5 28.5 9.2 8.3 324 138 B G >> - 0 0 4 -2,-0.7 3,-1.6 1,-0.2 4,-0.7 -0.257 16.8-129.0 -51.7 133.4 24.7 9.6 8.1 325 139 B Y H >> S+ 0 0 0 -136,-2.5 4,-1.9 1,-0.3 3,-0.5 0.790 100.2 77.1 -61.5 -29.3 23.2 8.3 11.4 326 140 B R H 3> S+ 0 0 40 -136,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.848 97.7 46.7 -45.4 -38.9 20.8 6.1 9.5 327 141 B Y H <> S+ 0 0 13 -3,-1.6 4,-2.7 -137,-0.3 -1,-0.2 0.781 102.0 60.9 -82.0 -32.5 23.7 3.6 8.8 328 142 B L H << S+ 0 0 11 -4,-0.7 4,-0.5 -3,-0.5 -2,-0.2 0.936 110.5 43.8 -53.5 -47.2 25.1 3.6 12.4 329 143 B V H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-0.4 0.949 112.7 51.7 -63.8 -47.8 21.7 2.1 13.5 330 144 B A H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.3 -2,-0.2 0.895 99.6 65.7 -54.4 -43.0 21.6 -0.2 10.5 331 145 B F T 3X S+ 0 0 41 -4,-2.7 4,-2.5 1,-0.3 -1,-0.3 0.584 79.3 79.2 -63.0 -15.4 25.1 -1.6 11.3 332 146 B I H <> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.5 -1,-0.3 0.928 95.7 49.7 -48.9 -47.9 23.9 -3.1 14.6 333 147 B Y H <> S+ 0 0 13 -3,-1.8 4,-3.1 -4,-0.4 5,-0.2 0.983 113.9 39.5 -62.2 -60.6 22.5 -5.9 12.4 334 148 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.852 113.6 55.4 -61.2 -33.4 25.7 -6.7 10.3 335 149 B I H X S+ 0 0 19 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.957 113.8 42.6 -59.5 -48.3 28.0 -6.2 13.3 336 150 B T H X S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.901 113.1 50.8 -60.5 -49.9 25.9 -8.8 15.1 337 151 B A H < S+ 0 0 25 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 109.2 53.4 -60.3 -33.3 25.6 -11.2 12.1 338 152 B T H X S+ 0 0 9 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.908 109.7 45.8 -69.8 -42.8 29.4 -11.1 11.6 339 153 B M H X S+ 0 0 6 -4,-1.7 4,-1.5 1,-0.2 3,-0.4 0.845 95.4 79.8 -68.3 -34.6 30.3 -12.1 15.2 340 154 B K H >X S+ 0 0 43 -4,-1.7 4,-0.7 1,-0.2 3,-0.5 0.839 92.1 42.9 -49.8 -54.9 27.8 -14.9 15.4 341 155 B P H >4 S+ 0 0 71 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.884 111.0 56.8 -60.1 -37.7 29.7 -17.7 13.5 342 156 B F H >< S+ 0 0 10 -4,-0.6 3,-1.2 -3,-0.4 -2,-0.2 0.804 98.8 59.5 -66.5 -31.3 33.0 -16.9 15.2 343 157 B L H << S+ 0 0 0 -4,-1.5 3,-0.4 -3,-0.5 5,-0.3 0.746 103.2 53.5 -66.7 -24.0 31.5 -17.4 18.7 344 158 B A T X< S+ 0 0 57 -3,-0.9 3,-0.6 -4,-0.7 -1,-0.2 0.451 90.9 83.3 -83.3 -1.1 30.6 -21.0 17.8 345 159 B R T < S+ 0 0 142 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.079 77.0 59.8-101.3 24.5 34.2 -21.8 16.7 346 160 B K T 3 S- 0 0 100 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.154 117.4 -86.0-138.7 16.6 35.9 -22.7 20.0 347 161 B G S < S+ 0 0 79 -3,-0.6 -2,-0.1 1,-0.2 -3,-0.1 0.445 71.6 155.1 100.2 4.5 33.9 -25.7 21.2 348 162 B H - 0 0 55 -5,-0.3 -1,-0.2 1,-0.1 5,-0.1 -0.301 46.0-107.2 -79.3 146.4 31.0 -24.1 23.2 349 163 B T >> - 0 0 80 1,-0.1 4,-2.2 -2,-0.1 3,-0.6 -0.297 35.2-110.4 -59.6 149.2 27.6 -25.6 23.9 350 164 B P H 3> S+ 0 0 109 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.768 119.1 53.8 -52.2 -33.3 24.6 -24.1 21.9 351 165 B E H 3> S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.848 109.8 46.7 -72.4 -36.3 23.3 -22.4 25.0 352 166 B E H <> S+ 0 0 57 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.861 112.1 50.2 -72.0 -37.5 26.6 -20.8 25.8 353 167 B V H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.920 111.1 50.0 -63.8 -46.6 27.0 -19.6 22.1 354 168 B E H X S+ 0 0 53 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.910 110.8 48.5 -59.1 -46.8 23.4 -18.1 22.3 355 169 B K H X S+ 0 0 81 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.850 112.5 48.8 -66.3 -34.8 24.2 -16.3 25.6 356 170 B M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 113.5 46.7 -64.6 -48.0 27.4 -14.9 24.1 357 171 B Y H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.885 112.2 49.8 -60.3 -42.9 25.7 -13.7 20.9 358 172 B Q H X S+ 0 0 21 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.933 109.6 51.7 -66.5 -41.7 22.8 -12.2 22.9 359 173 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.909 111.0 47.7 -58.9 -45.1 25.3 -10.3 25.1 360 174 B W H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.905 110.1 52.5 -60.0 -47.1 27.1 -9.0 22.0 361 175 B F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.958 113.5 43.1 -54.7 -50.9 23.7 -7.9 20.5 362 176 B K H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 114.9 50.4 -60.9 -40.4 22.8 -6.0 23.7 363 177 B A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.849 112.1 46.1 -70.6 -35.1 26.3 -4.5 24.1 364 178 B T H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.921 113.6 49.0 -72.2 -43.9 26.4 -3.2 20.4 365 179 B T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.930 110.2 52.1 -59.8 -47.8 22.9 -1.8 20.7 366 180 B L H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.913 112.4 45.4 -51.4 -50.2 23.8 -0.0 23.9 367 181 B Q H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 3,-0.5 0.953 109.5 52.1 -64.2 -51.2 26.9 1.5 22.4 368 182 B V H X S+ 0 0 8 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.852 107.7 55.4 -55.4 -36.6 25.2 2.7 19.2 369 183 B A H >< S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.890 109.4 45.1 -62.7 -42.2 22.5 4.4 21.3 370 184 B L H >< S+ 0 0 3 -4,-1.5 3,-1.9 -3,-0.5 -2,-0.2 0.907 107.1 60.3 -66.7 -42.6 25.1 6.4 23.2 371 185 B W H 3< S+ 0 0 24 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.652 89.1 72.7 -59.3 -20.6 26.9 7.3 19.9 372 186 B S T XX S+ 0 0 0 -4,-0.8 4,-1.4 -3,-0.5 3,-1.4 0.649 70.6 95.9 -70.4 -15.3 23.7 9.0 18.7 373 187 B Y G X4 S+ 0 0 51 -3,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.881 83.7 43.3 -43.0 -58.8 24.4 11.9 21.1 374 188 B P G 34 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.700 115.6 52.4 -66.1 -14.2 26.2 14.3 18.6 375 189 B Y G <4 S+ 0 0 0 -3,-1.4 -189,-3.0 -4,-0.3 2,-0.3 0.701 91.4 88.3 -86.8 -26.0 23.6 13.4 15.9 376 190 B V B << S-B 185 0B 5 -4,-1.4 -191,-0.2 -3,-0.8 5,-0.1 -0.602 89.0-103.6 -85.5 133.9 20.4 14.2 18.0 377 191 B K > - 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