==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 27-JUL-06 2DUW . COMPND 2 MOLECULE: PUTATIVE COA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.W.HUNG,Y.C.LIN,C.C.CHENG,C.F.CHANG,S.F.TSAI,T.H.HUANG . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 1 0.7 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 . 14 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 1 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 0 214 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.4 2.1 -0.0 -1.2 2 2 A K + 0 0 179 2,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.203 360.0 148.3 -95.4 42.0 -0.3 -1.4 -3.8 3 3 A E - 0 0 134 -2,-0.2 2,-0.6 1,-0.1 5,-0.0 -0.679 29.8-168.4 -82.4 121.4 1.8 -0.3 -6.7 4 4 A N + 0 0 147 -2,-0.5 2,-0.3 4,-0.1 -1,-0.1 -0.623 46.8 100.9-110.1 71.7 1.5 -2.7 -9.7 5 5 A D S >> S- 0 0 105 -2,-0.6 3,-2.0 114,-0.0 4,-1.1 -0.896 89.9 -86.5-144.2 172.4 4.3 -1.5 -12.0 6 6 A I H 3> S+ 0 0 40 1,-0.3 4,-3.2 -2,-0.3 5,-0.4 0.782 118.6 73.4 -52.2 -27.6 7.9 -2.4 -13.1 7 7 A A H 3> S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.871 99.5 43.4 -55.5 -39.1 8.9 -0.3 -10.1 8 8 A G H <> S+ 0 0 26 -3,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.817 114.8 48.9 -77.1 -31.6 7.8 -3.1 -7.8 9 9 A I H X S+ 0 0 45 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.859 117.0 41.0 -75.3 -37.1 9.3 -5.9 -9.9 10 10 A L H < S+ 0 0 101 -4,-3.2 -2,-0.2 2,-0.2 -3,-0.2 0.840 117.8 47.2 -78.7 -35.3 12.7 -4.1 -10.2 11 11 A T H < S+ 0 0 109 -4,-1.7 -2,-0.2 -5,-0.4 -3,-0.2 0.779 119.1 41.6 -76.2 -27.7 12.7 -3.0 -6.5 12 12 A S H < S+ 0 0 96 -4,-1.3 2,-0.4 1,-0.3 -2,-0.2 0.962 130.5 7.5 -82.3 -63.6 11.7 -6.5 -5.4 13 13 A T < - 0 0 43 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.3 -0.982 62.3-160.9-128.3 124.3 13.8 -8.8 -7.6 14 14 A R + 0 0 141 -2,-0.4 2,-0.4 -3,-0.2 28,-0.3 -0.872 28.0 149.8-107.2 104.3 16.5 -7.7 -9.9 15 15 A T - 0 0 8 -2,-0.7 58,-1.3 26,-0.1 57,-0.5 -0.957 23.3-166.7-139.3 118.4 17.3 -10.3 -12.6 16 16 A I E -ab 43 73A 3 26,-2.5 28,-2.3 -2,-0.4 2,-0.5 -0.907 5.0-167.6-108.4 126.1 18.6 -9.6 -16.1 17 17 A A E -ab 44 74A 7 56,-2.9 58,-3.1 -2,-0.5 2,-0.4 -0.947 8.7-149.3-116.0 128.0 18.7 -12.3 -18.7 18 18 A L E -ab 45 75A 0 26,-0.9 28,-3.1 -2,-0.5 2,-0.5 -0.788 8.0-147.6 -97.4 135.5 20.5 -12.0 -22.0 19 19 A V E S+a 46 0A 20 56,-1.3 58,-0.3 -2,-0.4 59,-0.2 -0.886 77.9 5.8-105.5 126.4 19.2 -13.7 -25.1 20 20 A G S S- 0 0 18 26,-2.3 2,-1.2 -2,-0.5 27,-0.2 0.912 75.4-177.4 73.1 43.8 21.7 -15.0 -27.7 21 21 A A + 0 0 2 25,-0.8 29,-0.2 -3,-0.4 -1,-0.2 -0.628 17.5 157.2 -79.1 95.9 24.8 -14.2 -25.8 22 22 A S - 0 0 47 -2,-1.2 2,-0.3 2,-0.1 24,-0.0 -0.315 58.5 -85.8-106.3-169.1 27.6 -15.1 -28.1 23 23 A D S S+ 0 0 101 -2,-0.1 3,-0.1 1,-0.1 -2,-0.1 -0.241 82.7 122.9 -94.9 44.6 31.3 -14.2 -28.5 24 24 A K > + 0 0 117 -2,-0.3 3,-1.1 1,-0.1 6,-0.4 -0.739 27.1 168.7-109.8 83.5 30.5 -11.1 -30.7 25 25 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.540 73.4 70.9 -69.8 -5.9 32.0 -8.1 -28.8 26 26 A D T 3 S+ 0 0 153 -3,-0.1 -3,-0.0 4,-0.1 -2,-0.0 0.073 89.3 80.6 -98.0 22.8 31.3 -6.1 -32.0 27 27 A R S X> S- 0 0 149 -3,-1.1 4,-1.8 1,-0.1 3,-0.9 -0.880 84.4-120.3-128.1 159.8 27.5 -6.2 -31.3 28 28 A P H 3> S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.694 110.4 65.9 -69.8 -19.4 25.1 -4.2 -29.1 29 29 A S H 34 S+ 0 0 14 2,-0.2 4,-0.5 1,-0.1 49,-0.1 0.743 106.8 41.1 -74.4 -23.8 24.1 -7.5 -27.4 30 30 A Y H <> S+ 0 0 50 -3,-0.9 4,-2.0 -6,-0.4 5,-0.4 0.895 109.4 54.6 -88.6 -48.9 27.6 -7.8 -26.0 31 31 A R H X S+ 0 0 167 -4,-1.8 4,-0.7 1,-0.3 -2,-0.2 0.835 111.9 47.9 -54.4 -34.0 28.2 -4.2 -25.0 32 32 A V H X S+ 0 0 6 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.3 0.806 109.4 54.4 -77.2 -31.1 25.0 -4.3 -23.0 33 33 A M H >> S+ 0 0 1 -4,-0.5 4,-1.8 -3,-0.4 3,-0.5 0.996 112.7 37.8 -65.4 -66.3 26.0 -7.6 -21.4 34 34 A K H 3X S+ 0 0 104 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.756 113.9 62.1 -57.7 -24.0 29.4 -6.6 -19.9 35 35 A Y H 3X S+ 0 0 46 -4,-0.7 4,-1.9 -5,-0.4 -1,-0.2 0.926 105.6 42.1 -68.5 -46.2 27.8 -3.3 -19.2 36 36 A L H S+ 0 0 7 -4,-1.8 5,-2.0 -3,-0.5 4,-0.7 0.801 113.4 55.4 -70.8 -29.3 25.2 -4.7 -16.8 37 37 A L H ><5S+ 0 0 33 -4,-1.8 3,-0.6 3,-0.2 -2,-0.2 0.929 110.4 42.9 -69.1 -46.8 27.8 -7.0 -15.3 38 38 A D H 3<5S+ 0 0 117 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 105.8 62.9 -66.6 -40.2 30.2 -4.2 -14.4 39 39 A Q H 3<5S- 0 0 33 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.766 122.6-105.8 -56.5 -25.4 27.3 -2.0 -13.1 40 40 A G T <<5S+ 0 0 56 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.805 72.5 137.0 101.0 39.7 26.8 -4.7 -10.5 41 41 A Y < - 0 0 94 -5,-2.0 2,-0.9 -4,-0.1 -1,-0.3 -0.854 63.3 -98.6-118.4 154.0 23.6 -6.4 -11.7 42 42 A H - 0 0 91 -28,-0.3 -26,-2.5 -2,-0.3 2,-0.5 -0.580 44.3-169.4 -73.1 105.0 22.7 -10.1 -12.0 43 43 A V E -a 16 0A 3 -2,-0.9 -26,-0.2 -28,-0.1 -10,-0.0 -0.848 13.8-177.9-101.7 129.9 23.4 -11.0 -15.6 44 44 A I E -a 17 0A 11 -28,-2.3 -26,-0.9 -2,-0.5 2,-0.3 -0.670 9.7-169.1-127.5 77.3 22.2 -14.4 -17.0 45 45 A P E -a 18 0A 0 0, 0.0 2,-0.5 0, 0.0 16,-0.4 -0.495 3.5-167.2 -69.8 126.5 23.3 -14.7 -20.6 46 46 A V E +a 19 0A 14 -28,-3.1 -26,-2.3 -2,-0.3 -25,-0.8 -0.968 17.6 152.3-121.9 122.1 21.8 -17.6 -22.5 47 47 A S - 0 0 1 14,-1.4 4,-0.5 -2,-0.5 16,-0.1 -0.988 52.2-121.6-146.6 153.4 23.0 -18.9 -25.8 48 48 A P S S+ 0 0 111 0, 0.0 14,-0.1 0, 0.0 15,-0.1 0.572 117.1 45.2 -69.7 -8.6 23.1 -22.1 -27.8 49 49 A K S S+ 0 0 139 12,-0.2 13,-0.1 -28,-0.2 -27,-0.1 0.725 108.5 52.3-103.8 -32.5 26.9 -21.8 -27.9 50 50 A V S > S+ 0 0 6 11,-0.3 3,-3.0 -29,-0.2 2,-0.8 0.413 75.2 133.9 -84.3 2.0 27.5 -20.9 -24.2 51 51 A A T 3 S+ 0 0 43 -4,-0.5 10,-0.2 1,-0.3 3,-0.1 -0.361 86.0 2.5 -57.2 99.4 25.5 -24.0 -23.2 52 52 A G T 3 S+ 0 0 68 -2,-0.8 -1,-0.3 8,-0.8 2,-0.2 0.657 117.4 100.1 94.8 18.9 27.7 -25.4 -20.6 53 53 A K S < S- 0 0 127 -3,-3.0 7,-2.8 5,-0.1 2,-0.5 -0.721 72.2-108.2-127.2 177.6 30.3 -22.7 -20.7 54 54 A T E -E 59 0B 101 -2,-0.2 2,-0.7 5,-0.2 5,-0.2 -0.947 23.7-168.5-115.7 121.0 31.3 -19.6 -18.8 55 55 A L E > S-E 58 0B 25 3,-3.2 3,-2.2 -2,-0.5 -5,-0.0 -0.896 77.4 -30.5-111.8 105.8 30.7 -16.1 -20.2 56 56 A L T 3 S- 0 0 75 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.772 125.5 -50.3 60.1 26.0 32.4 -13.3 -18.3 57 57 A G T 3 S+ 0 0 59 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.288 116.3 118.8 95.8 -10.0 32.0 -15.4 -15.2 58 58 A Q E < S-E 55 0B 54 -3,-2.2 -3,-3.2 1,-0.1 -1,-0.3 -0.780 71.2-111.8 -94.7 131.5 28.3 -16.0 -15.8 59 59 A Q E -E 54 0B 109 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.324 34.0-134.6 -60.3 136.0 27.1 -19.6 -16.4 60 60 A G - 0 0 2 -7,-2.8 -8,-0.8 -10,-0.3 2,-0.3 -0.568 19.1-167.3 -94.0 158.7 25.9 -20.2 -19.9 61 61 A Y - 0 0 46 -16,-0.4 -14,-1.4 -10,-0.2 -10,-0.3 -0.998 27.3-140.7-147.2 141.8 22.8 -22.0 -21.0 62 62 A A S S+ 0 0 42 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.826 92.5 8.5 -68.5 -32.3 21.5 -23.5 -24.3 63 63 A T S >> S- 0 0 75 -16,-0.1 3,-2.0 -3,-0.1 4,-0.6 -0.990 71.0-117.4-149.0 154.3 18.0 -22.2 -23.5 64 64 A L T 34 S+ 0 0 41 -2,-0.3 3,-0.2 1,-0.3 7,-0.2 0.668 115.0 63.9 -64.8 -15.4 16.2 -20.1 -20.9 65 65 A A T 34 S+ 0 0 77 1,-0.2 -1,-0.3 -4,-0.0 -3,-0.0 0.264 96.4 58.2 -91.4 11.0 14.3 -23.2 -19.9 66 66 A D T <4 S+ 0 0 93 -3,-2.0 -1,-0.2 0, 0.0 -2,-0.2 0.596 84.1 91.4-110.9 -21.2 17.6 -24.8 -18.8 67 67 A V < - 0 0 19 -4,-0.6 4,-0.1 -3,-0.2 -6,-0.1 -0.617 62.5-152.6 -81.6 133.1 18.6 -22.3 -16.2 68 68 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.896 72.0 89.5 -69.8 -42.2 17.4 -22.9 -12.6 69 69 A E S S- 0 0 88 1,-0.1 2,-0.5 0, 0.0 -2,-0.1 -0.322 85.3-118.3 -60.1 135.4 17.4 -19.2 -11.6 70 70 A K - 0 0 146 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.655 25.8-129.7 -80.7 123.9 14.0 -17.5 -12.3 71 71 A V + 0 0 11 -2,-0.5 3,-0.1 -7,-0.2 -55,-0.1 -0.483 27.4 176.4 -74.1 140.5 14.3 -14.6 -14.8 72 72 A D S S+ 0 0 3 -57,-0.5 25,-0.8 1,-0.3 2,-0.3 0.623 72.9 27.1-114.4 -26.4 12.8 -11.3 -13.8 73 73 A M E -bc 16 97A 37 -58,-1.3 -56,-2.9 23,-0.2 2,-0.7 -0.915 67.3-153.0-144.9 114.0 13.8 -9.2 -16.8 74 74 A V E -bc 17 98A 8 23,-1.8 25,-2.9 -2,-0.3 2,-0.9 -0.773 10.6-153.6 -90.4 113.9 14.5 -10.5 -20.3 75 75 A D E -bc 18 99A 0 -58,-3.1 -56,-1.3 -2,-0.7 2,-0.8 -0.764 13.3-174.9 -90.7 104.2 16.9 -8.3 -22.2 76 76 A V + 0 0 1 23,-3.4 7,-0.1 -2,-0.9 -58,-0.1 -0.860 29.2 137.3-104.2 105.1 16.2 -8.7 -26.0 77 77 A F + 0 0 1 -2,-0.8 -1,-0.2 -58,-0.3 -48,-0.1 0.396 47.0 93.8-122.2 -5.2 18.7 -6.8 -28.1 78 78 A R S S- 0 0 103 -59,-0.2 2,-0.3 -3,-0.2 -49,-0.1 0.975 100.5 -36.5 -52.0 -66.8 19.3 -9.4 -30.8 79 79 A N - 0 0 118 1,-0.1 4,-0.4 22,-0.0 22,-0.2 -0.864 55.6 -99.7-149.5-178.2 16.8 -8.1 -33.2 80 80 A S S > S+ 0 0 66 -2,-0.3 3,-1.7 2,-0.2 4,-0.4 0.976 120.5 40.3 -74.1 -59.6 13.3 -6.5 -33.5 81 81 A E T >> S+ 0 0 154 1,-0.3 3,-1.5 2,-0.2 4,-1.2 0.778 102.0 75.4 -60.7 -26.3 11.2 -9.6 -34.4 82 82 A A H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.808 82.6 68.0 -55.7 -30.5 13.3 -11.5 -31.8 83 83 A A H <> S+ 0 0 2 -3,-1.7 4,-1.4 -4,-0.4 -1,-0.3 0.853 98.7 50.9 -58.5 -35.8 11.3 -9.7 -29.1 84 84 A W H <> S+ 0 0 96 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 0.965 112.9 42.4 -67.2 -54.4 8.3 -11.7 -30.2 85 85 A G H X S+ 0 0 26 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.898 118.1 46.3 -60.0 -42.3 9.9 -15.1 -30.0 86 86 A V H X S+ 0 0 6 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.765 110.7 56.0 -71.6 -25.6 11.7 -14.2 -26.8 87 87 A A H X S+ 0 0 0 -4,-1.4 4,-2.9 -5,-0.3 5,-0.3 0.969 106.4 45.9 -70.4 -55.9 8.5 -12.8 -25.4 88 88 A Q H X S+ 0 0 87 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.899 114.1 50.6 -54.1 -44.2 6.3 -15.9 -25.8 89 89 A E H X S+ 0 0 100 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.7 47.3 -61.1 -45.9 9.0 -18.1 -24.4 90 90 A A H X>S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 5,-1.8 0.944 112.3 48.1 -61.4 -50.4 9.4 -15.8 -21.3 91 91 A I H <5S+ 0 0 41 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.775 109.4 57.3 -62.0 -26.1 5.7 -15.6 -20.7 92 92 A A H <5S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.948 111.0 38.4 -70.0 -50.7 5.6 -19.4 -21.1 93 93 A I H <5S- 0 0 81 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.761 129.6 -93.9 -71.7 -25.2 8.1 -20.1 -18.3 94 94 A G T <5 - 0 0 52 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.788 55.5-176.3 111.0 54.3 6.6 -17.4 -16.2 95 95 A A < - 0 0 13 -5,-1.8 -23,-0.1 -8,-0.2 3,-0.1 0.012 17.5-160.5 -68.9-178.3 8.6 -14.2 -16.8 96 96 A K + 0 0 61 1,-0.5 23,-1.4 -24,-0.1 2,-0.3 0.551 68.3 22.1-133.6 -40.8 8.0 -10.9 -15.1 97 97 A T E -cd 73 119A 3 -25,-0.8 -23,-1.8 21,-0.2 -1,-0.5 -0.927 56.8-158.7-134.0 158.2 9.6 -8.1 -17.2 98 98 A L E -cd 74 120A 0 21,-2.2 23,-2.0 -2,-0.3 2,-0.5 -0.965 5.7-172.4-142.7 122.4 10.6 -7.7 -20.8 99 99 A W E -cd 75 121A 3 -25,-2.9 -23,-3.4 -2,-0.4 23,-0.2 -0.960 8.0-174.9-118.8 127.5 13.1 -5.2 -22.3 100 100 A L - 0 0 8 21,-2.6 2,-0.2 -2,-0.5 24,-0.1 -0.311 39.1 -64.7-104.9-170.0 13.6 -4.6 -26.0 101 101 A Q > - 0 0 47 -22,-0.2 3,-1.1 -2,-0.1 22,-1.0 -0.560 52.2-112.8 -81.1 142.5 16.0 -2.5 -28.1 102 102 A L T 3 S+ 0 0 75 21,-0.3 3,-0.1 -2,-0.2 22,-0.1 -0.565 99.4 28.0 -76.8 133.4 15.9 1.2 -27.8 103 103 A G T 3 S+ 0 0 50 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.237 100.4 101.2 102.5 -12.7 14.7 3.0 -30.9 104 104 A V < - 0 0 54 -3,-1.1 19,-0.5 2,-0.0 2,-0.4 -0.771 54.8-155.6-106.9 151.9 12.5 0.2 -32.2 105 105 A I + 0 0 122 -2,-0.3 2,-0.5 17,-0.1 -3,-0.0 -0.966 13.4 174.3-131.6 117.5 8.8 -0.2 -31.9 106 106 A N > + 0 0 27 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.872 8.7 177.6-125.8 98.6 7.0 -3.6 -32.0 107 107 A E H > S+ 0 0 155 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 0.805 84.4 58.7 -66.9 -29.6 3.3 -3.5 -31.4 108 108 A Q H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 110.3 39.6 -65.2 -49.2 3.1 -7.3 -31.9 109 109 A A H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.780 112.7 59.4 -71.1 -27.4 5.5 -8.0 -29.1 110 110 A A H >X S+ 0 0 14 -4,-1.7 4,-1.2 2,-0.2 3,-0.6 0.951 113.3 34.4 -66.1 -51.1 4.0 -5.3 -26.9 111 111 A V H 3X S+ 0 0 72 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.823 105.3 72.3 -73.5 -32.4 0.5 -6.8 -27.0 112 112 A L H 3< S+ 0 0 30 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.791 104.9 41.3 -52.9 -28.5 1.9 -10.4 -26.9 113 113 A A H XX>S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.6 3,-1.9 0.845 105.2 62.1 -87.4 -39.3 2.8 -9.7 -23.3 114 114 A R H 3<5S+ 0 0 203 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.1 0.852 90.9 69.6 -54.9 -36.3 -0.4 -7.8 -22.3 115 115 A E T 3<5S+ 0 0 168 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.796 115.5 26.0 -52.9 -29.2 -2.3 -11.1 -23.1 116 116 A A T <45S- 0 0 64 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.640 114.3-112.3-106.8 -23.5 -0.5 -12.5 -20.0 117 117 A G T <5 + 0 0 59 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.274 61.4 153.4 107.8 -9.4 0.0 -9.2 -18.1 118 118 A L < - 0 0 22 -5,-1.2 2,-1.1 1,-0.1 -1,-0.3 -0.119 54.5-106.7 -51.9 148.9 3.8 -9.2 -18.4 119 119 A S E -d 97 0A 38 -23,-1.4 -21,-2.2 -114,-0.0 2,-0.4 -0.695 40.6-168.5 -85.0 98.5 5.5 -5.8 -18.4 120 120 A V E -d 98 0A 34 -2,-1.1 2,-0.4 -10,-0.2 -21,-0.2 -0.749 7.4-176.7 -91.6 131.2 6.6 -5.2 -21.9 121 121 A V E +d 99 0A 16 -23,-2.0 -21,-2.6 -2,-0.4 3,-0.3 -0.909 6.4 175.2-132.3 105.9 9.0 -2.3 -22.6 122 122 A M + 0 0 66 -2,-0.4 -17,-0.1 1,-0.2 -20,-0.1 -0.588 61.5 29.8-104.4 168.2 10.0 -1.4 -26.2 123 123 A D S S+ 0 0 55 -22,-1.0 2,-0.3 -19,-0.5 -21,-0.3 0.871 100.3 106.5 51.8 40.1 12.1 1.4 -27.6 124 124 A R - 0 0 111 -3,-0.3 -1,-0.2 -23,-0.2 -24,-0.1 -0.985 48.9-167.2-151.1 136.8 14.0 1.5 -24.3 125 125 A C > - 0 0 14 -2,-0.3 4,-1.4 -24,-0.1 3,-0.5 -0.931 26.1-134.9-126.6 149.7 17.5 0.4 -23.2 126 126 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.796 101.1 70.2 -69.8 -29.7 19.1 -0.1 -19.8 127 127 A A H 4 S+ 0 0 35 1,-0.2 -3,-0.0 2,-0.2 5,-0.0 0.866 114.5 26.4 -56.0 -38.3 22.3 1.8 -21.0 128 128 A I H 4 S+ 0 0 100 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.640 116.8 62.6 -98.3 -19.9 20.3 5.0 -21.0 129 129 A E H < S+ 0 0 46 -4,-1.4 4,-0.3 2,-0.2 -2,-0.2 0.771 100.0 55.8 -75.5 -26.9 17.8 3.9 -18.4 130 130 A L S >X>S+ 0 0 21 -4,-2.4 3,-1.2 1,-0.2 5,-1.0 0.976 111.2 39.5 -68.6 -57.6 20.5 3.6 -15.8 131 131 A P T 345S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.556 89.6 97.4 -69.7 -7.3 21.9 7.2 -16.1 132 132 A R T 345S+ 0 0 153 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.799 100.2 25.1 -51.9 -29.7 18.3 8.4 -16.4 133 133 A L T <45S- 0 0 145 -3,-1.2 -1,-0.2 -4,-0.3 -3,-0.1 0.687 119.1-104.8-105.9 -28.7 18.5 9.1 -12.7 134 134 A G T <5S+ 0 0 61 -4,-0.8 -2,-0.1 3,-0.0 -4,-0.1 0.709 81.5 123.9 107.5 30.1 22.3 9.6 -12.3 135 135 A L < + 0 0 124 -5,-1.0 2,-0.4 2,-0.1 -3,-0.1 0.010 35.9 128.0-107.7 26.0 23.3 6.4 -10.6 136 136 A A 0 0 52 -5,-0.1 -97,-0.0 -6,-0.1 0, 0.0 -0.713 360.0 360.0 -87.7 129.6 25.8 5.4 -13.3 137 137 A K 0 0 200 -2,-0.4 -2,-0.1 -98,-0.0 -1,-0.1 -0.649 360.0 360.0 -80.3 360.0 29.3 4.5 -12.1