==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-AUG-07 2QU7 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SAPROPHYTICUS SUBSP. . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,M.MENDOZA,R.ROMERO,D.SMITH, . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 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 . 2 0.4 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 . 38 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 1 0 0 0 0 0 0 0 6 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 9 2 2 2 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 2 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 1 1 0 1 0 0 0 0 0 1 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 63 A R 0 0 163 0, 0.0 57,-0.2 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 110.8 87.5 42.0 23.4 2 64 A S E -a 58 0A 21 55,-2.2 57,-0.5 54,-0.4 325,-0.0 -0.362 360.0-115.2 -79.5 158.9 88.0 41.8 27.2 3 65 A N E S+ 0 0 49 55,-0.1 30,-3.0 56,-0.1 2,-0.4 0.141 80.0 114.1 -79.4 21.2 89.3 38.8 29.2 4 66 A I E - b 0 33A 3 28,-0.2 55,-2.2 53,-0.1 56,-0.9 -0.777 50.7-160.1 -99.2 135.1 86.0 38.4 30.9 5 67 A I E -ab 60 34A 0 28,-3.1 30,-2.6 -2,-0.4 2,-0.5 -0.964 18.5-140.7-105.5 128.3 83.6 35.5 30.6 6 68 A A E -ab 61 35A 0 54,-2.7 56,-3.5 -2,-0.5 2,-0.6 -0.834 13.1-167.4 -96.9 127.4 80.0 36.3 31.6 7 69 A F E -ab 62 36A 0 28,-2.9 30,-2.0 -2,-0.5 2,-0.7 -0.960 7.5-164.0-112.3 108.6 78.1 33.6 33.5 8 70 A I E -ab 63 37A 0 54,-2.5 56,-2.3 -2,-0.6 30,-0.2 -0.882 10.5-173.0-103.0 114.7 74.4 34.5 33.6 9 71 A V E - b 0 38A 8 28,-2.2 30,-2.4 -2,-0.7 31,-0.6 -0.795 24.9-140.3-112.4 149.2 72.6 32.6 36.3 10 72 A P S S- 0 0 0 0, 0.0 31,-0.8 0, 0.0 2,-0.2 0.785 76.3 -11.2 -83.5 -25.2 68.8 32.5 36.9 11 73 A D S S- 0 0 3 29,-0.2 5,-0.1 2,-0.1 28,-0.1 -0.860 77.5 -85.1-156.5-174.8 68.8 32.4 40.8 12 74 A Q + 0 0 59 -2,-0.2 280,-0.0 4,-0.1 281,-0.0 -0.090 62.5 147.0-103.1 37.0 71.0 31.9 43.8 13 75 A N >> - 0 0 6 1,-0.1 3,-2.3 4,-0.0 4,-0.8 -0.576 55.1-129.9 -63.6 122.6 70.9 28.1 44.0 14 76 A P H 3> S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.687 102.8 78.7 -50.1 -20.4 74.3 27.1 45.4 15 77 A F H 3> S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.905 94.9 45.3 -52.8 -42.8 74.4 24.7 42.4 16 78 A F H <> S+ 0 0 6 -3,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.884 111.9 47.9 -75.7 -44.0 75.4 27.6 40.2 17 79 A T H X S+ 0 0 45 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.899 111.2 53.9 -62.6 -38.4 78.1 29.2 42.5 18 80 A E H X S+ 0 0 48 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.882 111.8 43.3 -61.1 -41.6 79.6 25.7 42.9 19 81 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.894 110.5 58.1 -68.1 -41.7 79.8 25.3 39.1 20 82 A L H X S+ 0 0 23 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.928 101.7 53.0 -52.4 -52.5 81.1 28.8 38.8 21 83 A T H X S+ 0 0 34 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 112.0 46.8 -51.9 -43.8 84.1 28.1 41.1 22 84 A E H X S+ 0 0 50 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.884 112.4 48.3 -67.6 -39.7 85.0 25.1 38.9 23 85 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 112.4 50.6 -63.2 -47.6 84.6 27.1 35.6 24 86 A S H X S+ 0 0 21 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.907 106.0 54.8 -54.8 -49.0 86.7 30.0 37.1 25 87 A H H < S+ 0 0 102 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.908 115.0 38.7 -56.4 -47.7 89.5 27.6 38.1 26 88 A E H >< S+ 0 0 22 -4,-1.6 3,-1.4 1,-0.2 4,-0.3 0.928 114.6 51.9 -68.8 -46.6 89.9 26.2 34.6 27 89 A C H ><>S+ 0 0 3 -4,-2.7 3,-1.8 1,-0.3 5,-1.6 0.798 98.4 64.5 -64.4 -33.3 89.4 29.5 32.6 28 90 A Q G ><5S+ 0 0 75 -4,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.654 84.4 75.4 -69.2 -12.2 92.0 31.4 34.6 29 91 A K G < 5S+ 0 0 120 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.772 102.8 42.0 -62.5 -23.7 94.6 29.0 33.2 30 92 A H G < 5S- 0 0 68 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.101 124.2-106.6-108.1 16.5 94.1 31.1 30.1 31 93 A H T < 5S+ 0 0 138 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.769 78.5 133.7 61.9 27.7 94.0 34.4 31.9 32 94 A L < - 0 0 20 -5,-1.6 2,-0.4 -8,-0.1 -1,-0.2 -0.925 43.3-149.1-110.5 135.4 90.2 34.7 31.4 33 95 A H E -b 4 0A 6 -30,-3.0 -28,-3.1 -2,-0.4 2,-0.5 -0.891 5.1-137.6-113.9 137.1 88.0 35.7 34.3 34 96 A V E -b 5 0A 4 -2,-0.4 279,-0.4 -30,-0.2 2,-0.4 -0.757 18.3-174.5 -93.9 123.9 84.4 34.6 35.1 35 97 A A E -b 6 0A 1 -30,-2.6 -28,-2.9 -2,-0.5 2,-0.4 -0.946 13.1-147.0-115.9 141.4 82.0 37.3 36.3 36 98 A V E +bC 7 311A 20 275,-2.9 275,-2.6 -2,-0.4 2,-0.3 -0.841 18.0 175.0-112.0 142.0 78.5 36.3 37.4 37 99 A A E -b 8 0A 3 -30,-2.0 -28,-2.2 -2,-0.4 2,-0.4 -0.984 20.4-139.3-143.4 143.7 75.2 38.2 37.1 38 100 A S E -b 9 0A 24 -2,-0.3 271,-0.1 271,-0.3 -30,-0.1 -0.859 13.2-166.0-107.5 134.5 71.7 36.9 38.0 39 101 A S > - 0 0 2 -30,-2.4 3,-2.2 -2,-0.4 6,-0.2 0.540 33.1-138.8 -85.0 -8.8 68.5 37.5 36.1 40 102 A E T 3 - 0 0 50 -31,-0.6 -29,-0.2 1,-0.3 3,-0.1 0.878 67.3 -60.1 43.1 45.5 66.5 36.3 39.1 41 103 A E T 3 S+ 0 0 14 -31,-0.8 2,-0.6 1,-0.2 -1,-0.3 0.533 106.1 131.8 66.5 9.4 64.2 34.4 36.6 42 104 A N <> - 0 0 61 -3,-2.2 4,-2.0 -32,-0.2 -1,-0.2 -0.824 46.0-158.9 -94.3 119.8 63.3 37.7 34.9 43 105 A E H > S+ 0 0 65 -2,-0.6 4,-1.9 2,-0.2 -1,-0.1 0.796 93.3 53.8 -70.9 -28.6 63.6 37.5 31.0 44 106 A D H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 110.2 48.4 -64.6 -45.6 63.8 41.3 30.6 45 107 A K H > S+ 0 0 15 -6,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 109.2 53.5 -60.1 -39.2 66.7 41.3 33.1 46 108 A Q H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.924 109.5 47.6 -62.7 -44.9 68.3 38.4 31.2 47 109 A Q H X S+ 0 0 78 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.883 110.5 51.5 -66.1 -44.2 68.1 40.4 27.9 48 110 A D H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.887 110.5 48.8 -53.7 -47.5 69.5 43.5 29.5 49 111 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.933 112.3 48.0 -66.3 -45.7 72.5 41.6 31.0 50 112 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.956 112.8 48.7 -55.8 -52.0 73.2 39.9 27.6 51 113 A E H X S+ 0 0 63 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.840 111.9 51.2 -54.4 -38.2 73.0 43.3 25.8 52 114 A T H X S+ 0 0 9 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.905 111.9 43.9 -69.0 -42.4 75.3 44.8 28.5 53 115 A F H <>S+ 0 0 6 -4,-2.4 5,-1.8 2,-0.2 4,-0.3 0.863 112.4 52.8 -76.3 -32.1 78.0 42.0 28.1 54 116 A V H ><5S+ 0 0 21 -4,-2.8 3,-1.5 -5,-0.2 -2,-0.2 0.931 108.8 50.9 -61.7 -46.1 77.8 42.2 24.3 55 117 A S H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 108.7 51.9 -63.9 -29.3 78.3 46.0 24.4 56 118 A Q T 3<5S- 0 0 49 -4,-1.2 -54,-0.4 -5,-0.1 -1,-0.3 0.450 110.1-124.8 -90.4 1.3 81.3 45.5 26.6 57 119 A N T < 5 - 0 0 74 -3,-1.5 -55,-2.2 -4,-0.3 -3,-0.2 0.886 36.9-173.2 59.9 45.5 82.9 42.9 24.2 58 120 A V E < -a 2 0A 0 -5,-1.8 -53,-0.2 -57,-0.2 -55,-0.1 -0.205 33.2-118.1 -61.4 157.1 83.3 40.1 26.7 59 121 A S E S- 0 0 11 -55,-2.2 2,-0.3 -57,-0.5 -54,-0.2 0.789 84.8 -19.0 -69.3 -30.4 85.2 37.0 25.3 60 122 A A E -a 5 0A 0 -56,-0.9 -54,-2.7 19,-0.1 2,-0.4 -0.978 54.6-131.0-169.4 161.4 82.1 34.8 25.8 61 123 A I E -ad 6 81A 2 19,-2.4 21,-1.8 -2,-0.3 2,-0.6 -0.997 6.5-163.6-126.3 128.7 78.8 34.2 27.5 62 124 A I E -ad 7 82A 0 -56,-3.5 -54,-2.5 -2,-0.4 2,-0.5 -0.974 24.4-160.8-104.8 114.5 77.7 31.1 29.4 63 125 A L E -ad 8 83A 0 19,-3.2 21,-2.4 -2,-0.6 23,-0.2 -0.844 25.8-167.0-103.4 129.0 73.9 31.4 29.7 64 126 A V - 0 0 0 -56,-2.3 21,-0.1 -2,-0.5 19,-0.1 -0.907 36.9-139.7-100.9 96.1 71.6 29.6 32.1 65 127 A P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.300 11.1-143.4 -66.1 138.6 68.4 30.7 30.3 66 128 A V S S+ 0 0 7 1,-0.2 2,-0.3 -24,-0.1 -23,-0.1 0.818 86.9 14.0 -67.8 -29.3 65.4 31.6 32.4 67 129 A K S S- 0 0 69 1,-0.1 61,-0.2 61,-0.1 -1,-0.2 -0.983 71.1-122.4-145.4 157.4 63.1 30.0 29.8 68 130 A S S S+ 0 0 20 59,-2.6 21,-2.2 -2,-0.3 2,-1.3 0.839 94.9 77.5 -64.8 -39.2 63.4 27.6 26.8 69 131 A K + 0 0 124 58,-0.3 2,-0.4 19,-0.2 -1,-0.1 -0.629 67.1 135.7 -77.0 94.9 61.8 29.9 24.2 70 132 A F - 0 0 14 -2,-1.3 2,-0.4 20,-0.1 20,-0.3 -0.996 33.3-169.2-144.2 135.3 64.7 32.2 23.5 71 133 A Q - 0 0 158 -2,-0.4 2,-0.1 17,-0.0 20,-0.1 -0.998 23.5-123.5-126.3 132.8 66.2 33.6 20.3 72 134 A M - 0 0 31 -2,-0.4 2,-0.3 1,-0.1 5,-0.0 -0.415 24.5-120.6 -59.0 137.8 69.5 35.4 19.9 73 135 A K > - 0 0 88 1,-0.1 3,-1.1 -2,-0.1 4,-0.5 -0.661 25.8-124.0 -71.6 143.2 69.5 38.9 18.5 74 136 A R G > S+ 0 0 207 -2,-0.3 3,-1.2 1,-0.3 4,-0.2 0.842 111.3 62.4 -64.3 -32.8 71.7 38.6 15.3 75 137 A E G > S+ 0 0 98 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.788 99.9 56.4 -53.5 -34.0 73.9 41.5 16.7 76 138 A W G X S+ 0 0 9 -3,-1.1 3,-1.9 1,-0.2 -1,-0.2 0.663 82.5 86.7 -72.9 -19.7 74.7 39.2 19.7 77 139 A L G < S+ 0 0 105 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.631 73.1 70.6 -67.2 -15.5 76.0 36.4 17.4 78 140 A K G < S+ 0 0 148 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.751 88.3 73.9 -66.1 -29.1 79.6 37.9 17.3 79 141 A I S < S- 0 0 8 -3,-1.9 -19,-0.1 -4,-0.1 -20,-0.1 -0.799 94.4-115.1 -92.6 122.9 80.1 36.9 21.0 80 142 A P - 0 0 26 0, 0.0 -19,-2.4 0, 0.0 2,-0.4 -0.322 42.4-177.2 -57.0 137.9 80.6 33.2 21.6 81 143 A I E +d 61 0A 17 -21,-0.2 2,-0.3 -4,-0.1 -19,-0.2 -1.000 17.8 170.6-149.3 133.1 77.8 31.7 23.6 82 144 A M E -d 62 0A 0 -21,-1.8 -19,-3.2 -2,-0.4 2,-0.4 -0.876 26.2-128.1-127.4 165.2 76.8 28.4 25.2 83 145 A T E -de 63 95A 2 11,-2.2 13,-1.4 -2,-0.3 2,-0.4 -0.892 18.8-157.4-110.3 151.1 74.0 27.4 27.6 84 146 A L E - e 0 96A 0 -21,-2.4 2,-2.6 -2,-0.4 13,-0.2 -0.955 68.6 -1.8-127.3 149.3 74.5 25.5 30.8 85 147 A D S S+ 0 0 6 11,-2.2 13,-0.4 -2,-0.4 2,-0.3 -0.230 122.8 62.4 73.1 -50.8 72.1 23.4 32.8 86 148 A R - 0 0 12 -2,-2.6 2,-0.3 -23,-0.2 10,-0.2 -0.813 69.3-145.1-113.2 148.4 69.2 24.2 30.4 87 149 A E - 0 0 72 -2,-0.3 42,-0.4 8,-0.1 2,-0.2 -0.816 20.2-128.5-105.0 145.3 68.6 23.5 26.7 88 150 A L - 0 0 22 -2,-0.3 3,-0.3 5,-0.2 -19,-0.2 -0.540 18.3-118.4 -89.7 161.8 66.8 26.0 24.4 89 151 A E S S+ 0 0 123 -21,-2.2 2,-0.4 1,-0.3 -20,-0.1 0.984 95.5 3.4 -64.0 -62.7 63.9 25.1 22.1 90 152 A S S S+ 0 0 95 -20,-0.3 2,-0.3 -22,-0.3 -1,-0.3 -0.944 93.3 109.7-134.7 108.0 65.3 25.9 18.7 91 153 A T - 0 0 61 -2,-0.4 -20,-0.0 -3,-0.3 -3,-0.0 -0.974 63.4-126.1-165.5 166.5 69.0 27.0 18.4 92 154 A S + 0 0 113 -2,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.373 69.3 124.6 -94.7 -0.5 72.5 26.2 17.3 93 155 A L - 0 0 21 1,-0.1 -5,-0.2 -11,-0.1 -11,-0.1 -0.432 61.8-127.5 -66.8 125.3 73.8 27.0 20.8 94 156 A P - 0 0 19 0, 0.0 -11,-2.2 0, 0.0 2,-0.3 -0.380 29.7-162.8 -68.6 153.1 75.8 24.1 22.3 95 157 A S E -e 83 0A 13 -13,-0.2 164,-2.1 -10,-0.0 2,-0.4 -0.932 20.8-148.2-131.2 155.7 74.7 23.1 25.8 96 158 A I E +ef 84 259A 0 -13,-1.4 -11,-2.2 -2,-0.3 2,-0.2 -0.998 38.8 147.6-122.5 128.1 76.1 21.2 28.7 97 159 A T E - f 0 260A 3 162,-2.3 164,-2.7 -2,-0.4 2,-0.2 -0.777 39.9-117.6-141.3 175.2 73.4 19.4 30.8 98 160 A V E - f 0 261A 1 -13,-0.4 2,-1.2 162,-0.3 164,-0.2 -0.687 44.6 -90.0-108.5 172.5 72.7 16.2 32.8 99 161 A D > + 0 0 61 162,-1.6 4,-1.9 -2,-0.2 164,-0.3 -0.747 47.8 179.5 -83.1 91.9 70.2 13.4 32.1 100 162 A N H > S+ 0 0 6 -2,-1.2 4,-2.6 2,-0.2 5,-0.3 0.839 75.6 55.0 -67.6 -35.1 67.2 15.0 34.0 101 163 A E H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.972 110.8 45.0 -61.9 -54.9 64.8 12.2 33.2 102 164 A E H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 111.4 56.1 -55.9 -38.3 67.2 9.6 34.7 103 165 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.973 114.3 35.8 -60.7 -54.5 67.8 11.9 37.7 104 166 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.815 114.7 58.4 -71.1 -29.9 64.1 12.2 38.7 105 167 A Y H X S+ 0 0 24 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.932 108.8 44.2 -57.4 -52.7 63.4 8.6 37.7 106 168 A I H X S+ 0 0 43 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.880 115.5 48.7 -60.2 -43.7 66.1 7.3 40.2 107 169 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.879 113.1 45.6 -67.0 -39.5 64.9 9.6 42.9 108 170 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.935 111.2 52.9 -74.0 -42.6 61.2 8.7 42.5 109 171 A K H X S+ 0 0 54 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.881 104.8 56.4 -53.8 -45.1 62.0 5.0 42.4 110 172 A R H < S+ 0 0 51 -4,-1.9 3,-0.4 1,-0.2 4,-0.4 0.926 109.5 44.7 -55.8 -47.7 63.9 5.3 45.6 111 173 A V H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.876 110.3 55.3 -60.6 -41.8 60.8 6.8 47.3 112 174 A L H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.697 92.0 73.1 -66.6 -22.6 58.6 4.1 45.7 113 175 A E T 3< S+ 0 0 110 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.723 90.5 70.8 -63.3 -22.5 60.9 1.4 47.3 114 176 A S S < S- 0 0 29 -3,-1.3 158,-0.1 -4,-0.4 70,-0.0 -0.123 112.1 -90.2 -75.7-176.1 59.3 2.3 50.6 115 177 A T S S+ 0 0 131 2,-0.0 -1,-0.1 -2,-0.0 -3,-0.0 0.940 94.5 112.8 -59.4 -43.3 55.7 1.4 51.5 116 178 A C + 0 0 5 1,-0.1 -2,-0.1 67,-0.1 3,-0.1 0.117 37.0 172.7 -37.1 131.5 54.6 4.7 50.1 117 179 A K + 0 0 101 1,-0.2 2,-0.4 -4,-0.0 -1,-0.1 0.318 64.2 66.0-129.0 -1.6 52.5 4.6 46.9 118 180 A E - 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0 0 133 -5,-3.0 -1,-0.3 -6,-0.1 2,-0.1 -0.515 56.7 -96.1 -84.0 153.3 79.7 63.5 45.3 530 317 B D - 0 0 164 -2,-0.2 2,-0.4 1,-0.0 -1,-0.1 -0.441 44.2-170.2 -67.9 141.2 81.6 63.3 48.7 531 318 B V - 0 0 30 -2,-0.1 2,-0.3 -3,-0.1 -10,-0.0 -0.999 10.2-152.3-136.3 132.0 80.8 60.1 50.7 532 319 B T - 0 0 115 -2,-0.4 -164,-0.0 -163,-0.1 -11,-0.0 -0.827 32.0 -97.1-105.8 153.1 81.6 59.1 54.2 533 320 B S - 0 0 62 -2,-0.3 2,-0.4 1,-0.1 -162,-0.2 -0.238 35.9-148.1 -61.5 146.2 82.1 55.6 55.5 534 321 B I E -k 371 0A 60 -164,-2.5 -162,-2.0 -161,-0.0 2,-0.4 -0.970 8.8-164.6-122.8 134.0 79.1 53.9 57.2 535 322 B K E -k 372 0A 108 -2,-0.4 -162,-0.3 -164,-0.2 2,-0.2 -0.976 13.1-165.7-116.1 133.6 79.2 51.4 60.0 536 323 B L E -k 373 0A 15 -164,-2.7 -162,-2.0 -2,-0.4 2,-0.4 -0.578 17.3-110.7-113.8 176.5 76.1 49.3 60.9 537 324 B S - 0 0 74 -164,-0.2 2,-0.1 -2,-0.2 -162,-0.1 -0.888 17.6-150.8-113.6 136.7 74.9 47.1 63.8 538 325 B T - 0 0 16 -2,-0.4 2,-0.3 -164,-0.3 -29,-0.2 -0.375 13.0-148.6 -86.9 176.8 74.5 43.4 63.9 539 326 B K E -V 508 0E 141 -31,-1.8 -31,-3.1 -2,-0.1 2,-0.4 -0.981 14.4-120.6-144.9 144.5 71.9 41.7 66.1 540 327 B L E -V 507 0E 39 -2,-0.3 2,-0.7 -33,-0.2 -33,-0.2 -0.704 17.6-152.1 -82.2 133.3 72.0 38.4 67.8 541 328 B I E -V 506 0E 39 -35,-3.1 -35,-1.3 -2,-0.4 2,-0.5 -0.923 13.3-150.6-107.6 105.9 69.2 36.0 67.0 542 329 B I + 0 0 97 -2,-0.7 2,-0.1 -37,-0.2 -37,-0.1 -0.668 34.9 143.4 -79.3 119.3 68.7 33.7 69.9 543 330 B R - 0 0 42 -2,-0.5 -39,-0.2 -40,-0.2 -1,-0.1 0.085 63.4 -61.9-120.7-121.3 67.4 30.3 68.9 544 331 B E S > S+ 0 0 73 -41,-1.1 3,-0.9 1,-0.1 -40,-0.2 0.669 108.2 71.9-110.1 -21.5 68.2 26.9 70.4 545 332 B S T 3 S+ 0 0 1 -42,-1.6 -57,-2.4 1,-0.2 -62,-0.3 0.528 86.9 65.2 -87.5 -4.8 71.9 26.1 70.1 546 333 B C T 3 S+ 0 0 1 -59,-0.2 2,-0.3 -64,-0.1 -1,-0.2 0.309 94.0 62.9-100.1 4.1 73.4 28.6 72.6 547 334 B S S < S- 0 0 38 -3,-0.9 2,-0.2 -61,-0.1 -61,-0.1 -0.963 78.0-118.3-130.2 148.5 71.8 27.1 75.8 548 335 B F 0 0 52 -2,-0.3 -64,-0.2 1,-0.1 -65,-0.1 -0.587 360.0 360.0 -78.6 145.0 72.2 23.8 77.7 549 336 B N 0 0 138 -66,-3.2 -1,-0.1 -2,-0.2 -66,-0.0 -0.265 360.0 360.0 -52.1 360.0 69.1 21.6 78.2