==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-NOV-04 1XWM . COMPND 2 MOLECULE: PHOSPHATE UPTAKE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR R.ZHANG,I.DEMENTIEVA,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 87.3 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 3 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 4 A T > 0 0 135 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -18.0 68.7 53.0 -13.2 2 5 A F H >> + 0 0 47 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.926 360.0 49.2 -46.0 -64.2 65.2 54.1 -12.2 3 6 A A H 3> S+ 0 0 76 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.881 112.5 52.2 -44.2 -41.8 63.3 52.5 -15.0 4 7 A D H 3> S+ 0 0 109 -3,-0.3 4,-1.5 2,-0.2 3,-0.3 0.878 104.1 55.9 -63.6 -41.0 65.3 49.4 -14.2 5 8 A D H XX S+ 0 0 24 -4,-2.2 4,-2.6 -3,-0.8 3,-1.1 0.972 106.7 48.6 -55.8 -56.7 64.3 49.5 -10.6 6 9 A L H 3X S+ 0 0 31 -4,-1.9 4,-1.1 1,-0.3 -1,-0.3 0.737 107.6 58.4 -57.0 -22.0 60.6 49.5 -11.4 7 10 A A H 3X S+ 0 0 45 -4,-0.9 4,-1.2 -5,-0.3 -1,-0.3 0.851 109.6 42.1 -76.7 -33.3 61.4 46.6 -13.7 8 11 A S H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 3,-0.6 0.980 112.2 52.5 -61.7 -62.2 56.0 40.4 -7.5 14 17 A I H 3X S+ 0 0 37 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.800 110.9 54.8 -45.0 -27.9 55.7 38.2 -10.6 15 18 A E H 3X S+ 0 0 64 -4,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.919 102.3 51.6 -72.8 -47.7 58.2 36.1 -8.7 16 19 A M H S+ 0 0 0 -4,-3.7 5,-3.2 1,-0.2 4,-0.5 0.895 113.2 43.6 -50.9 -48.2 48.5 16.9 -1.9 31 34 A F H <5S+ 0 0 2 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.2 0.936 114.6 46.7 -66.8 -49.0 45.0 17.1 -0.6 32 35 A Q H <5S+ 0 0 74 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 121.8 37.0 -63.8 -36.5 43.3 15.2 -3.4 33 36 A T H <5S- 0 0 76 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.491 109.3-126.2 -91.6 -5.7 45.9 12.4 -3.3 34 37 A Q T <5 + 0 0 47 -4,-0.5 2,-0.8 -5,-0.3 -3,-0.2 0.975 45.0 169.9 58.8 57.0 46.1 12.7 0.5 35 38 A N >< - 0 0 62 -5,-3.2 4,-2.6 1,-0.2 3,-0.4 -0.833 18.0-176.9-105.6 99.8 49.9 13.2 0.5 36 39 A A H > S+ 0 0 53 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.924 84.5 55.2 -59.3 -47.8 51.1 14.2 4.0 37 40 A N H > S+ 0 0 139 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.838 112.5 45.1 -55.4 -32.4 54.7 14.5 2.9 38 41 A L H > S+ 0 0 20 -3,-0.4 4,-1.9 2,-0.2 3,-0.4 0.932 104.7 58.2 -77.5 -48.0 53.5 16.9 0.3 39 42 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.3 -2,-0.2 0.876 109.0 50.4 -48.1 -37.7 51.2 18.9 2.5 40 43 A M H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.868 99.3 60.7 -69.4 -40.4 54.3 19.6 4.6 41 44 A A H X S+ 0 0 50 -4,-1.1 4,-1.5 -3,-0.4 -1,-0.2 0.928 107.6 50.1 -51.7 -40.9 56.4 20.7 1.6 42 45 A V H < S+ 0 0 3 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.890 114.4 40.9 -63.7 -45.6 53.7 23.4 1.3 43 46 A I H >X S+ 0 0 43 -4,-1.4 3,-1.8 -5,-0.2 4,-0.5 0.989 114.9 48.6 -67.9 -61.9 53.9 24.5 5.0 44 47 A D H 3< S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.765 112.4 50.2 -50.9 -33.2 57.7 24.4 5.5 45 48 A G T 3< S+ 0 0 49 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.1 -0.028 91.8 79.9-100.9 33.7 58.3 26.3 2.4 46 49 A D T X> + 0 0 12 -3,-1.8 3,-3.0 2,-0.1 4,-1.1 0.841 69.7 70.2-104.8 -43.6 55.9 29.2 2.9 47 50 A G H 3X S+ 0 0 50 -4,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.739 90.2 76.0 -45.7 -18.5 57.5 31.7 5.3 48 51 A S H 3> S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.848 93.9 45.0 -61.9 -38.2 59.7 32.2 2.2 49 52 A I H <> S+ 0 0 5 -3,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.810 105.1 59.3 -77.3 -32.1 56.9 34.3 0.5 50 53 A D H X S+ 0 0 74 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.871 105.3 55.5 -60.9 -31.4 56.3 36.3 3.6 51 54 A A H X S+ 0 0 48 -4,-1.3 4,-2.1 -5,-0.3 -2,-0.2 0.934 105.4 48.1 -64.2 -50.0 60.0 37.1 3.1 52 55 A L H X S+ 0 0 27 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.885 106.9 56.9 -61.0 -40.2 59.4 38.4 -0.5 53 56 A E H X S+ 0 0 44 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.917 106.1 49.4 -60.1 -41.1 56.5 40.5 0.6 54 57 A E H >X S+ 0 0 133 -4,-1.6 4,-2.9 1,-0.2 3,-0.9 0.965 110.3 52.0 -60.3 -47.6 58.6 42.3 3.1 55 58 A E H 3X S+ 0 0 100 -4,-2.1 4,-2.9 1,-0.3 5,-0.2 0.901 108.0 51.7 -51.7 -46.6 61.2 42.8 0.4 56 59 A V H 3X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 -1,-0.3 0.753 112.2 45.0 -66.0 -25.6 58.6 44.3 -1.9 57 60 A N H X S+ 0 0 124 -4,-1.6 4,-2.3 -5,-0.3 3,-1.5 0.973 108.1 45.2 -64.5 -56.3 62.3 53.2 -0.5 63 66 A L H 3<>S+ 0 0 0 -4,-2.1 5,-0.8 1,-0.3 3,-0.3 0.926 109.5 56.7 -53.0 -48.6 61.6 54.4 -4.1 64 67 A I H 3<5S+ 0 0 61 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.703 119.8 32.5 -57.5 -20.2 58.6 56.4 -2.9 65 68 A A H <<5S+ 0 0 79 -3,-1.5 -2,-0.3 -4,-0.6 -1,-0.3 0.580 130.5 29.3-112.2 -15.6 61.0 58.1 -0.5 66 69 A A T <5S+ 0 0 51 -4,-2.3 -3,-0.2 -3,-0.3 -2,-0.1 0.817 120.6 34.6-108.6 -73.0 64.3 58.2 -2.5 67 70 A Q T 5S- 0 0 70 -5,-0.1 -3,-0.1 1,-0.1 -4,-0.1 0.403 96.9-129.8 -69.7 4.0 64.0 58.3 -6.4 68 71 A Q < - 0 0 137 -5,-0.8 -4,-0.2 1,-0.1 6,-0.1 0.896 23.7-139.3 45.5 63.8 60.8 60.4 -6.1 69 72 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.044 10.9-124.4 -49.2 141.3 58.4 58.5 -8.4 70 73 A V >> - 0 0 95 1,-0.1 3,-2.0 4,-0.0 4,-1.9 -0.720 39.7 -87.2 -93.0 143.3 56.2 60.6 -10.7 71 74 A A H 3> S+ 0 0 49 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.582 126.6 43.9 -6.4 -71.9 52.4 60.1 -10.5 72 75 A T H 3> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.890 117.9 43.8 -52.9 -48.0 52.2 57.2 -13.0 73 76 A D H <> S+ 0 0 45 -3,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.831 110.8 58.4 -67.6 -32.1 55.2 55.3 -11.6 74 77 A L H X S+ 0 0 60 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.825 103.5 49.8 -67.4 -34.4 53.9 56.0 -8.1 75 78 A R H X S+ 0 0 82 -4,-1.8 4,-3.1 -5,-0.3 5,-0.3 0.890 110.5 50.9 -72.1 -37.9 50.6 54.2 -8.9 76 79 A R H < S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.608 110.2 49.1 -75.5 -13.4 52.5 51.2 -10.2 77 80 A I H X S+ 0 0 0 -4,-0.7 4,-0.6 -3,-0.2 -1,-0.2 0.793 114.1 46.8 -90.6 -36.5 54.7 51.1 -7.1 78 81 A V H >X S+ 0 0 58 -4,-1.7 3,-2.1 1,-0.2 4,-1.9 0.971 110.9 47.9 -69.8 -54.9 51.6 51.3 -4.8 79 82 A A H 3X S+ 0 0 9 -4,-3.1 4,-2.7 1,-0.3 5,-0.3 0.839 104.3 66.7 -55.0 -26.9 49.5 48.7 -6.6 80 83 A A H 3> S+ 0 0 0 -5,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.793 104.3 42.3 -63.6 -28.8 52.7 46.7 -6.4 81 84 A I H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 3,-0.5 0.977 103.0 51.2 -59.2 -55.3 47.4 27.3 0.4 95 98 A V H 3X S+ 0 0 9 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.819 113.0 48.9 -51.0 -30.9 49.3 26.6 3.6 96 99 A N H 3X S+ 0 0 18 -4,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.808 104.9 52.6 -81.8 -33.2 45.9 26.1 5.2 97 100 A I H < S+ 0 0 66 -4,-1.0 3,-3.5 1,-0.2 -2,-0.2 0.924 100.6 70.7 -76.9 -48.4 46.6 16.6 7.2 103 106 A R H 3< S+ 0 0 142 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.808 107.0 40.4 -35.4 -40.0 43.7 17.3 9.5 104 107 A I T >< S- 0 0 14 -4,-1.4 3,-0.9 1,-0.2 -1,-0.3 0.415 91.2-164.0 -97.5 2.9 42.0 14.3 7.8 105 108 A G T < - 0 0 43 -3,-3.5 -1,-0.2 1,-0.2 -2,-0.1 -0.229 52.7 -43.3 54.4-130.3 45.0 11.9 7.5 106 109 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.2 2,-0.1 -4,-0.0 -0.252 87.6 119.6-133.9 53.1 44.4 9.1 5.0 107 110 A Q S < S- 0 0 100 -3,-0.9 -1,-0.1 1,-0.0 -2,-0.1 -0.326 77.4-104.8-112.7 54.5 40.9 7.5 5.4 108 111 A P - 0 0 89 0, 0.0 -2,-0.1 0, 0.0 -74,-0.0 0.783 48.3 -75.9 24.3 126.3 39.5 8.2 1.9 109 112 A F - 0 0 36 1,-0.1 4,-0.1 2,-0.1 64,-0.0 0.021 30.2-126.9 -44.7 139.1 37.0 11.0 1.5 110 113 A V S S+ 0 0 28 63,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.628 92.9 2.3 -62.5 -15.1 33.4 10.5 2.6 111 114 A M S S- 0 0 31 55,-0.0 2,-0.5 66,-0.0 52,-0.1 -0.822 102.9 -54.4-152.8-168.9 32.4 11.5 -0.9 112 115 A D - 0 0 116 -2,-0.2 4,-0.3 1,-0.1 -2,-0.1 -0.712 33.1-165.7 -85.2 121.9 33.7 12.6 -4.3 113 116 A I > + 0 0 16 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.248 60.2 107.3 -89.1 14.1 36.2 15.5 -4.1 114 117 A G H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.944 78.0 42.3 -58.0 -56.6 35.9 16.1 -7.9 115 118 A P H > S+ 0 0 22 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.833 114.9 52.8 -61.7 -32.4 33.8 19.3 -8.0 116 119 A L H > S+ 0 0 4 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.922 107.1 51.7 -69.0 -43.6 35.9 20.7 -5.1 117 120 A V H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.926 112.0 46.4 -58.1 -44.6 39.1 20.0 -7.0 118 121 A L H X S+ 0 0 101 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.826 109.2 54.9 -68.0 -31.3 37.7 21.8 -10.0 119 122 A M H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.875 110.2 47.5 -68.6 -35.3 36.5 24.7 -7.8 120 123 A Y H X S+ 0 0 5 -4,-2.3 4,-3.0 2,-0.2 3,-0.4 0.971 112.7 46.1 -67.1 -55.9 40.1 25.0 -6.5 121 124 A R H X S+ 0 0 97 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.839 108.5 58.2 -56.0 -36.2 41.7 24.9 -10.0 122 125 A L H X S+ 0 0 23 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.895 111.8 40.8 -60.1 -44.1 39.1 27.4 -11.2 123 126 A A H X S+ 0 0 1 -4,-1.4 4,-1.8 -3,-0.4 -2,-0.2 0.925 110.6 57.7 -70.1 -47.8 40.2 29.9 -8.5 124 127 A T H X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.3 3,-0.5 0.916 107.3 48.4 -46.9 -51.4 43.9 29.0 -9.1 125 128 A D H X S+ 0 0 81 -4,-2.7 4,-3.2 1,-0.3 -1,-0.3 0.860 103.1 60.6 -59.8 -39.6 43.5 30.0 -12.7 126 129 A M H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -1,-0.3 0.897 108.3 47.4 -55.2 -36.5 41.8 33.2 -11.7 127 130 A V H X S+ 0 0 1 -4,-1.8 4,-3.4 -3,-0.5 5,-0.4 0.988 110.4 47.3 -67.3 -61.8 45.1 33.9 -9.9 128 131 A S H X S+ 0 0 39 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.918 116.2 48.6 -43.2 -51.8 47.4 33.0 -12.8 129 132 A T H X S+ 0 0 21 -4,-3.2 4,-3.6 2,-0.2 -1,-0.2 0.939 112.5 45.5 -53.2 -57.6 45.2 35.2 -14.9 130 133 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.880 116.9 45.5 -56.4 -43.3 45.2 38.2 -12.5 131 134 A I H X S+ 0 0 12 -4,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.869 113.6 49.1 -69.3 -38.7 48.9 37.9 -12.0 132 135 A A H X S+ 0 0 21 -4,-3.1 4,-2.2 -5,-0.4 5,-0.5 0.932 109.3 53.3 -65.1 -44.3 49.4 37.6 -15.8 133 136 A A H X>S+ 0 0 2 -4,-3.6 5,-2.0 1,-0.2 4,-1.2 0.872 110.5 47.9 -57.2 -38.4 47.2 40.6 -16.2 134 137 A Y H <5S+ 0 0 16 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.935 110.4 51.6 -68.0 -47.4 49.5 42.4 -13.8 135 138 A D H <5S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.982 121.9 29.4 -52.2 -70.8 52.6 41.3 -15.5 136 139 A R H <5S- 0 0 155 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.748 107.4-128.1 -61.8 -24.1 51.6 42.4 -19.0 137 140 A E T <5 + 0 0 72 -4,-1.2 2,-0.7 -5,-0.5 -3,-0.2 0.911 48.3 164.4 73.1 43.1 49.5 45.1 -17.3 138 141 A D > < - 0 0 54 -5,-2.0 3,-0.6 -6,-0.2 4,-0.3 -0.852 22.6-169.6 -95.5 108.6 46.4 44.1 -19.3 139 142 A A T 3 S+ 0 0 10 -2,-0.7 4,-0.3 1,-0.2 -1,-0.1 0.243 76.8 64.7 -85.3 15.6 43.3 45.6 -17.6 140 143 A S T 3> S+ 0 0 71 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.602 77.0 76.0-112.3 -15.9 40.9 43.6 -19.7 141 144 A L H X> S+ 0 0 32 -3,-0.6 4,-1.6 1,-0.2 3,-0.8 0.804 85.3 77.8 -63.1 -25.1 41.6 40.0 -18.5 142 145 A A H >> S+ 0 0 6 -4,-0.3 3,-2.5 1,-0.3 4,-1.8 0.949 86.0 50.3 -45.8 -73.8 39.7 41.2 -15.5 143 146 A A H 3> S+ 0 0 50 1,-0.3 4,-0.8 -4,-0.3 -1,-0.3 0.736 110.7 54.3 -41.8 -26.1 36.1 41.0 -16.9 144 147 A Q H X S+ 0 0 83 -4,-2.0 4,-2.4 2,-0.2 3,-0.7 0.980 112.8 41.1 -71.4 -61.6 29.9 30.1 -7.5 154 157 A E H 3X S+ 0 0 114 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.828 115.0 55.7 -57.2 -30.1 27.8 27.6 -9.4 155 158 A Q H 3< S+ 0 0 7 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.867 107.4 50.2 -68.4 -36.3 30.7 25.2 -8.6 156 159 A Y H XX S+ 0 0 41 -4,-1.2 3,-2.6 -3,-0.7 4,-1.6 0.942 107.5 49.3 -67.9 -53.1 30.2 26.0 -4.9 157 160 A G H 3X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.3 3,-0.2 0.962 105.7 58.8 -51.2 -49.7 26.5 25.4 -4.7 158 161 A E H 3X S+ 0 0 105 -4,-1.8 4,-0.5 1,-0.2 -1,-0.3 0.396 105.3 55.3 -61.2 8.4 27.2 22.1 -6.5 159 162 A M H <> S+ 0 0 4 -3,-2.6 4,-0.7 2,-0.1 -1,-0.2 0.799 103.6 46.2-104.0 -55.0 29.4 21.5 -3.4 160 163 A M H X S+ 0 0 60 -4,-1.6 4,-2.3 -3,-0.2 3,-0.4 0.828 109.8 64.9 -57.3 -31.5 26.9 22.0 -0.6 161 164 A A H X S+ 0 0 51 -4,-2.4 4,-1.1 -5,-0.3 5,-0.3 0.982 105.4 34.9 -53.5 -79.8 24.7 19.8 -2.8 162 165 A S H < S+ 0 0 51 -4,-0.5 -1,-0.2 1,-0.2 4,-0.2 0.506 125.6 51.5 -56.1 -2.7 26.6 16.5 -2.7 163 166 A L H < S+ 0 0 15 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.2 0.879 109.3 34.5-100.9 -72.9 27.5 17.5 0.9 164 167 A L H < S+ 0 0 146 -4,-2.3 -2,-0.1 1,-0.2 -3,-0.1 0.446 118.7 58.0 -68.0 2.6 24.5 18.5 3.1 165 168 A A S < S+ 0 0 70 -4,-1.1 -1,-0.2 -5,-0.3 -3,-0.1 0.889 78.6 93.4 -91.9 -63.0 22.5 15.8 1.2 166 169 A V - 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