==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTIONAL REGULATOR 22-JUN-05 2BV6 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR MGRA; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.R.CHEN,T.BAE,W.A.WILLIAMS,E.M.DUGUID,P.A.RICE, . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 75.9 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 . 10 7.3 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.4 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 2 0 1 0 0 1 0 0 0 1 0 0 0 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 . 0 0 1 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 ANTIPARALLEL 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 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 5 A X 0 0 188 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.3 82.6 -19.9 -1.9 2 6 A N - 0 0 79 1,-0.1 3,-0.3 2,-0.0 0, 0.0 -0.904 360.0-171.4-102.8 116.6 83.8 -17.0 0.3 3 7 A L S > S+ 0 0 79 -2,-0.7 3,-0.9 1,-0.2 7,-0.2 0.649 85.4 67.9 -81.0 -16.1 81.1 -14.4 0.6 4 8 A K T 3 S+ 0 0 183 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.812 101.0 52.3 -68.7 -25.8 83.4 -12.0 2.3 5 9 A E T 3 S+ 0 0 137 -3,-0.3 2,-0.9 1,-0.1 -1,-0.3 0.498 89.1 97.4 -84.0 -7.5 85.1 -12.1 -1.1 6 10 A Q X> - 0 0 55 -3,-0.9 4,-2.8 1,-0.2 3,-0.6 -0.758 55.8-167.5 -91.5 103.9 81.8 -11.2 -2.7 7 11 A L H 3> S+ 0 0 117 -2,-0.9 4,-3.3 1,-0.3 5,-0.4 0.891 88.5 61.5 -52.2 -45.1 81.6 -7.5 -3.4 8 12 A C H 3> S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.913 111.9 37.6 -50.1 -45.4 77.9 -7.8 -4.1 9 13 A F H <> S+ 0 0 99 -3,-0.6 4,-2.7 -6,-0.2 5,-0.2 0.880 115.5 54.8 -74.2 -38.4 77.4 -9.0 -0.5 10 14 A S H X S+ 0 0 48 -4,-2.8 4,-2.8 -7,-0.2 -2,-0.2 0.947 112.7 40.4 -59.5 -53.7 80.0 -6.7 0.9 11 15 A L H X S+ 0 0 64 -4,-3.3 4,-2.1 2,-0.2 5,-0.4 0.958 116.3 50.0 -59.6 -55.1 78.4 -3.5 -0.5 12 16 A Y H X S+ 0 0 140 -4,-1.7 4,-2.6 -5,-0.4 -2,-0.2 0.933 117.2 40.5 -48.6 -54.6 74.9 -4.6 0.2 13 17 A N H X S+ 0 0 73 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.873 110.4 56.0 -66.9 -41.3 75.7 -5.5 3.8 14 18 A A H X S+ 0 0 54 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.984 116.1 37.1 -54.6 -60.9 78.0 -2.5 4.6 15 19 A Q H X S+ 0 0 84 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.958 115.5 55.2 -54.3 -53.7 75.3 0.0 3.6 16 20 A R H X S+ 0 0 133 -4,-2.6 4,-2.5 -5,-0.4 -1,-0.2 0.882 111.5 45.3 -47.6 -44.4 72.6 -2.2 5.1 17 21 A Q H X S+ 0 0 87 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.968 111.2 49.7 -65.3 -55.6 74.5 -2.2 8.4 18 22 A V H X S+ 0 0 37 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.849 114.1 47.2 -54.0 -36.9 75.2 1.5 8.5 19 23 A N H X S+ 0 0 39 -4,-2.9 4,-3.4 -5,-0.2 5,-0.2 0.957 109.1 54.0 -70.4 -48.1 71.6 2.2 7.8 20 24 A R H X S+ 0 0 143 -4,-2.5 4,-1.9 -5,-0.3 5,-0.2 0.945 109.7 48.6 -46.3 -58.1 70.4 -0.2 10.4 21 25 A Y H >X S+ 0 0 110 -4,-2.8 4,-2.9 1,-0.2 3,-0.8 0.949 116.6 39.2 -46.3 -68.1 72.6 1.5 13.0 22 26 A Y H 3X>S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.3 5,-1.7 0.814 107.8 63.2 -56.1 -35.7 71.5 5.0 12.3 23 27 A S H 3<>S+ 0 0 47 -4,-3.4 5,-1.5 -5,-0.2 -1,-0.3 0.919 116.1 31.6 -58.5 -40.0 67.9 4.0 11.8 24 28 A N H <<5S+ 0 0 97 -4,-1.9 5,-0.2 -3,-0.8 -2,-0.2 0.943 119.8 49.2 -81.2 -53.5 67.8 2.8 15.4 25 29 A K H <5S- 0 0 92 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.800 137.5 -15.2 -58.5 -32.5 70.2 5.3 17.1 26 30 A V T >X5S+ 0 0 5 -4,-2.2 3,-1.7 -5,-0.3 4,-1.0 0.597 113.5 76.2-135.7 -63.0 68.7 8.4 15.6 27 31 A F H >>XS+ 0 0 2 -5,-1.7 5,-2.8 1,-0.3 4,-1.3 0.731 100.4 50.8 -29.8 -46.4 66.3 8.2 12.6 28 32 A K H 34 - 0 0 55 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.972 33.1-106.3-134.8 148.2 65.1 7.7 6.4 34 38 A Y H > S+ 0 0 42 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.903 119.4 44.1 -41.0 -61.7 68.7 7.3 5.2 35 39 A P H > S+ 0 0 55 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.940 111.6 52.8 -53.2 -48.2 68.2 9.4 2.0 36 40 A Q H > S+ 0 0 28 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.921 109.5 52.4 -49.9 -42.1 66.3 12.1 3.9 37 41 A F H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.927 106.7 51.1 -59.2 -47.2 69.3 12.0 6.2 38 42 A L H X S+ 0 0 57 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.908 108.0 53.0 -57.9 -43.8 71.6 12.5 3.3 39 43 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.948 109.9 47.0 -57.2 -50.8 69.6 15.5 2.0 40 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.882 107.1 59.1 -58.8 -37.1 69.8 17.1 5.4 41 45 A T H X S+ 0 0 50 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.939 107.8 45.1 -56.8 -48.3 73.5 16.4 5.4 42 46 A I H >X S+ 0 0 23 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.931 114.9 48.2 -61.4 -45.5 73.8 18.4 2.2 43 47 A L H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.791 104.6 58.4 -67.3 -27.9 71.6 21.2 3.7 44 48 A W H 3< S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.768 111.4 43.7 -72.1 -22.8 73.6 21.3 6.9 45 49 A D H << S+ 0 0 123 -4,-1.0 2,-0.4 -3,-0.6 -2,-0.2 0.767 124.3 34.7 -88.8 -29.6 76.6 22.0 4.8 46 50 A E S < S- 0 0 90 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.851 73.2-145.1-135.9 102.6 74.8 24.5 2.6 47 51 A S S S+ 0 0 84 -2,-0.4 47,-0.8 -3,-0.2 2,-0.4 0.734 88.6 5.3 -24.6 -79.3 72.1 26.8 4.0 48 52 A P E S-A 93 0A 60 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.944 81.4-174.7-113.6 140.7 69.8 26.9 0.9 49 53 A V E -A 92 0A 14 43,-2.5 43,-3.2 -2,-0.4 2,-0.3 -0.971 29.6-103.7-138.0 153.4 70.7 24.7 -2.1 50 54 A N E >> -A 91 0A 41 -2,-0.3 3,-2.9 41,-0.2 4,-0.8 -0.536 29.8-127.4 -73.0 132.5 69.4 24.1 -5.6 51 55 A V H >> S+ 0 0 23 39,-3.1 4,-2.1 1,-0.3 3,-0.9 0.850 106.2 71.7 -48.2 -34.6 67.4 20.9 -6.0 52 56 A K H 3> S+ 0 0 120 38,-0.4 4,-1.5 1,-0.3 -1,-0.3 0.776 91.9 57.4 -55.0 -27.1 69.8 19.9 -8.8 53 57 A K H <> S+ 0 0 87 -3,-2.9 4,-2.9 2,-0.2 -1,-0.3 0.880 104.2 50.3 -72.7 -36.7 72.5 19.4 -6.2 54 58 A V H S+ 0 0 51 -4,-2.1 5,-0.9 1,-0.2 -1,-0.2 0.862 113.8 47.9 -57.1 -34.9 69.7 15.0 -7.6 56 60 A T H <5S+ 0 0 100 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.955 110.5 46.8 -72.2 -50.7 73.5 15.1 -8.3 57 61 A E H <5S+ 0 0 113 -4,-2.9 2,-0.3 -5,-0.1 -1,-0.2 0.571 114.9 50.6 -70.3 -10.1 74.8 13.8 -4.9 58 62 A L T <5S- 0 0 25 -4,-1.2 2,-2.6 -5,-0.2 0, 0.0 -0.875 96.2-103.7-125.9 160.0 72.3 11.0 -4.8 59 63 A A T 5 + 0 0 99 -2,-0.3 2,-0.4 0, 0.0 -3,-0.1 -0.382 63.3 162.1 -79.4 63.1 71.3 8.3 -7.3 60 64 A L < - 0 0 37 -2,-2.6 2,-0.1 -5,-0.9 3,-0.1 -0.731 21.5-165.7 -93.8 134.6 68.1 10.1 -8.1 61 65 A D >> - 0 0 117 -2,-0.4 3,-1.0 1,-0.2 4,-0.7 -0.170 44.3 -56.3 -96.7-168.1 66.1 9.4 -11.2 62 66 A T T 34 S+ 0 0 141 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 -0.430 120.6 1.7 -74.2 150.9 63.4 11.5 -12.7 63 67 A G T 34 S+ 0 0 45 1,-0.2 -1,-0.3 -2,-0.1 -3,-0.0 0.718 108.5 93.7 43.9 28.4 60.4 12.3 -10.6 64 68 A T T <> S+ 0 0 49 -3,-1.0 4,-1.7 3,-0.1 -1,-0.2 0.590 83.7 50.7-111.6 -27.7 62.0 10.5 -7.6 65 69 A V H X S+ 0 0 9 -4,-0.7 4,-2.9 2,-0.2 5,-0.3 0.964 105.4 53.1 -71.2 -58.5 63.5 13.7 -6.3 66 70 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 112.1 46.0 -46.3 -50.5 60.4 15.8 -6.4 67 71 A P H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.974 111.2 51.0 -60.2 -56.2 58.5 13.2 -4.3 68 72 A L H X S+ 0 0 27 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.921 114.7 43.7 -47.0 -52.5 61.2 12.7 -1.8 69 73 A L H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.840 109.0 57.7 -65.1 -34.0 61.5 16.5 -1.2 70 74 A K H X S+ 0 0 122 -4,-2.2 4,-2.8 -5,-0.3 3,-0.3 0.949 107.8 47.8 -60.2 -47.4 57.7 16.9 -1.1 71 75 A R H X S+ 0 0 154 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.928 109.9 51.9 -58.1 -47.6 57.6 14.4 1.8 72 76 A X H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.2 6,-1.0 0.794 110.8 49.0 -61.0 -28.6 60.4 16.2 3.6 73 77 A E H ><5S+ 0 0 46 -4,-1.7 3,-3.0 -3,-0.3 -2,-0.2 0.960 104.9 56.1 -74.4 -52.8 58.5 19.4 3.3 74 78 A Q H 3<5S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.808 110.3 48.8 -46.3 -33.0 55.2 17.9 4.5 75 79 A V T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.021 116.2-115.0 -99.4 27.0 57.2 17.0 7.6 76 80 A D T < 5S+ 0 0 88 -3,-3.0 22,-0.5 2,-0.1 21,-0.3 0.800 82.1 121.3 45.0 37.3 58.8 20.4 8.1 77 81 A L S S- 0 0 50 3,-0.1 3,-2.4 1,-0.0 -3,-0.4 -0.880 73.0-156.4-134.0 104.9 63.1 30.5 -14.0 87 91 A Q T 3 S+ 0 0 140 -2,-0.4 -3,-0.1 1,-0.3 -1,-0.0 0.418 88.4 61.7 -63.3 -0.7 60.2 28.6 -12.7 88 92 A R T 3 S+ 0 0 197 -6,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.449 86.7 90.5-102.4 0.3 61.7 25.2 -13.3 89 93 A E < - 0 0 46 -3,-2.4 -6,-2.4 -6,-0.1 2,-0.4 -0.746 59.1-174.0 -91.8 139.7 64.5 26.0 -10.8 90 94 A V E - B 0 82A 17 -2,-0.4 -39,-3.1 -8,-0.2 -38,-0.4 -0.998 9.3-156.4-138.3 139.9 63.8 25.0 -7.2 91 95 A F E -AB 50 81A 70 -10,-3.5 -10,-2.6 -2,-0.4 2,-0.4 -0.851 8.8-141.2-116.3 155.7 65.8 25.7 -4.0 92 96 A I E -AB 49 80A 0 -43,-3.2 -43,-2.5 -2,-0.3 2,-0.3 -0.939 14.8-167.2-118.7 135.1 65.8 23.9 -0.7 93 97 A H E -AB 48 79A 55 -14,-2.4 -14,-2.1 -2,-0.4 2,-0.1 -0.925 22.9-118.0-122.8 146.3 66.0 25.4 2.7 94 98 A L E - B 0 78A 30 -47,-0.8 2,-0.2 -2,-0.3 -16,-0.2 -0.426 29.7-147.6 -73.4 154.2 66.6 24.0 6.2 95 99 A T > - 0 0 16 -18,-0.8 4,-1.5 -19,-0.1 5,-0.1 -0.660 29.5-101.6-114.5 174.8 63.8 24.5 8.7 96 100 A D H > S+ 0 0 140 -2,-0.2 4,-2.5 2,-0.2 5,-0.1 0.930 123.6 54.4 -64.9 -40.9 64.1 25.0 12.4 97 101 A K H > S+ 0 0 70 -21,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.932 113.1 41.8 -55.3 -47.9 63.2 21.4 13.0 98 102 A S H > S+ 0 0 0 -22,-0.5 4,-0.6 1,-0.2 -1,-0.3 0.722 109.8 58.5 -73.2 -20.7 66.0 20.3 10.7 99 103 A E H >< S+ 0 0 75 -4,-1.5 3,-0.6 2,-0.2 -1,-0.2 0.892 104.2 54.0 -72.5 -38.0 68.3 22.8 12.2 100 104 A T H 3< S+ 0 0 86 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.944 102.3 54.4 -58.7 -54.0 67.7 21.2 15.5 101 105 A I H >X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-1.0 0.725 83.8 97.1 -55.9 -20.6 68.7 17.7 14.3 102 106 A R H < S+ 0 0 1 -4,-1.5 3,-0.7 -3,-0.2 4,-0.2 0.443 96.1 92.4-114.9 2.4 73.8 13.6 12.6 106 110 A S T 3< S+ 0 0 68 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.1 0.819 91.6 48.7 -66.2 -28.7 76.2 16.1 11.1 107 111 A N T >> S+ 0 0 61 -4,-0.4 3,-2.5 -5,-0.2 4,-0.9 0.580 80.4 116.4 -84.6 -12.9 79.2 14.1 12.2 108 112 A A H <> + 0 0 4 -3,-0.7 4,-2.2 1,-0.3 5,-0.2 0.673 61.0 61.4 -23.2 -63.1 77.8 10.8 10.8 109 113 A S H 3> S+ 0 0 105 -3,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.597 116.1 38.3 -54.7 -5.0 80.4 9.9 8.1 110 114 A D H <> S+ 0 0 107 -3,-2.5 4,-3.6 2,-0.2 5,-0.4 0.707 101.2 64.4-114.0 -34.2 82.9 9.7 10.9 111 115 A K H X S+ 0 0 83 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.927 113.1 46.6 -52.1 -37.4 80.9 8.2 13.8 112 116 A V H X S+ 0 0 35 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.998 110.3 46.9 -63.9 -69.5 81.0 5.5 11.1 113 117 A A H <>S+ 0 0 8 -4,-0.9 5,-2.3 1,-0.2 3,-0.4 0.821 117.0 45.6 -43.8 -41.9 84.7 5.6 10.2 114 118 A S H ><5S+ 0 0 85 -4,-3.6 3,-2.3 1,-0.2 -1,-0.2 0.959 110.5 51.6 -69.3 -49.9 85.7 5.7 13.9 115 119 A A H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.545 111.8 51.3 -64.1 -4.9 83.3 2.8 14.8 116 120 A S T 3<5S- 0 0 65 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.204 108.6-121.8-115.9 13.1 84.9 0.9 12.0 117 121 A S T < 5 + 0 0 108 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.921 55.3 162.2 43.8 53.2 88.5 1.4 13.0 118 122 A L < - 0 0 47 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.907 30.0-140.2-106.3 128.5 89.2 3.0 9.7 119 123 A S > - 0 0 41 -2,-0.5 4,-3.2 -3,-0.1 5,-0.3 -0.320 28.7-103.2 -81.2 169.1 92.4 5.2 9.4 120 124 A Q H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.871 126.4 43.6 -58.0 -38.8 92.6 8.4 7.5 121 125 A D H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.860 113.3 50.6 -74.7 -39.6 94.4 6.6 4.7 122 126 A E H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.924 110.7 48.8 -64.6 -47.5 91.9 3.6 4.8 123 127 A V H X S+ 0 0 36 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.938 109.5 52.8 -58.2 -48.4 88.9 5.9 4.6 124 128 A K H X S+ 0 0 141 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.863 113.7 43.9 -55.0 -39.2 90.4 7.8 1.7 125 129 A E H X S+ 0 0 68 -4,-1.7 4,-3.6 2,-0.2 5,-0.2 0.866 110.9 52.8 -76.0 -38.3 90.9 4.5 -0.1 126 130 A L H X S+ 0 0 74 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.982 112.6 44.9 -59.2 -56.5 87.5 3.1 0.7 127 131 A N H X S+ 0 0 104 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.848 114.4 52.6 -54.3 -35.0 85.9 6.2 -0.7 128 132 A R H X S+ 0 0 120 -4,-1.2 4,-1.8 -5,-0.3 -2,-0.2 0.955 111.8 42.1 -67.0 -51.8 88.3 5.9 -3.6 129 133 A L H X S+ 0 0 81 -4,-3.6 4,-1.8 1,-0.2 3,-0.3 0.950 114.0 52.1 -60.7 -49.3 87.4 2.3 -4.4 130 134 A L H X S+ 0 0 58 -4,-3.4 4,-2.7 1,-0.3 -1,-0.2 0.872 104.3 59.8 -54.5 -36.7 83.7 3.0 -3.8 131 135 A G H X S+ 0 0 20 -4,-1.7 4,-2.1 -5,-0.3 5,-0.3 0.941 103.0 49.8 -56.9 -48.0 84.2 5.9 -6.3 132 136 A K H < S+ 0 0 138 -4,-1.8 4,-0.4 -3,-0.3 -1,-0.2 0.870 110.7 50.5 -58.3 -39.0 85.3 3.4 -9.0 133 137 A V H < S+ 0 0 54 -4,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.907 108.6 54.0 -64.7 -43.4 82.2 1.3 -8.2 134 138 A I H >< S+ 0 0 119 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.950 116.2 33.0 -58.0 -57.9 79.9 4.3 -8.5 135 139 A H T 3< S+ 0 0 158 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.433 85.9 113.6 -81.8 2.7 81.0 5.6 -12.0 136 140 A A T 3 0 0 57 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.563 360.0 360.0 -50.8 -8.5 81.5 2.0 -13.0 137 141 A F < 0 0 219 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.1 0.192 360.0 360.0-137.1 360.0 78.6 2.4 -15.4