==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 20-FEB-09 3GBV . COMPND 2 MOLECULE: PUTATIVE LACI-FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR B.SYED IBRAHIM,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK S . 576 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 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 0.3 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 4 1 2 1 0 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 5 0 0 0 4 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 . 2 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 0 0 0 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 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 64 A K 0 0 240 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.9 14.2 110.4 37.9 2 65 A K - 0 0 109 36,-0.0 2,-0.5 2,-0.0 35,-0.2 -0.975 360.0 -90.5-163.0 173.3 13.6 108.6 34.6 3 66 A Y E -a 37 0A 81 33,-1.7 35,-2.3 -2,-0.3 2,-0.5 -0.844 38.5-166.5 -96.9 129.7 13.8 108.8 30.8 4 67 A T E -a 38 0A 32 -2,-0.5 61,-1.9 33,-0.2 62,-1.4 -0.968 8.2-170.4-124.0 119.9 10.7 110.1 29.1 5 68 A F E -ab 39 66A 0 33,-2.7 35,-2.3 -2,-0.5 2,-0.5 -0.933 14.6-148.2-110.2 115.2 10.0 109.8 25.4 6 69 A A E -ab 40 67A 1 60,-2.6 62,-2.0 -2,-0.6 2,-0.6 -0.717 10.0-163.2 -85.1 123.9 7.0 111.8 24.2 7 70 A C E -ab 41 68A 0 33,-2.1 35,-2.2 -2,-0.5 2,-0.7 -0.914 1.6-164.8-111.0 110.2 5.2 110.2 21.3 8 71 A L E +ab 42 69A 0 60,-2.2 62,-2.2 -2,-0.6 35,-0.2 -0.838 20.0 161.9-100.0 111.3 2.9 112.5 19.3 9 72 A L E -a 43 0A 0 33,-1.8 35,-1.6 -2,-0.7 2,-0.1 -0.878 44.1 -89.5-126.5 157.6 0.5 110.7 17.1 10 73 A P E -a 44 0A 8 0, 0.0 35,-0.2 0, 0.0 8,-0.1 -0.405 50.9-101.5 -65.8 137.9 -2.8 111.6 15.3 11 74 A K + 0 0 118 33,-2.2 2,-0.3 -2,-0.1 7,-0.1 -0.278 59.5 156.2 -55.7 147.0 -6.0 110.9 17.3 12 75 A H - 0 0 42 -3,-0.1 2,-0.3 4,-0.1 3,-0.0 -0.964 42.2 -95.9-163.3 174.4 -7.6 107.7 16.1 13 76 A L > - 0 0 128 -2,-0.3 3,-2.2 1,-0.1 6,-0.3 -0.785 53.6 -88.6-102.2 147.9 -9.9 104.8 17.0 14 77 A E T 3 S+ 0 0 177 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.297 116.8 34.3 -54.6 130.8 -8.6 101.5 18.3 15 78 A G T 3 S+ 0 0 44 1,-0.4 214,-0.5 214,-0.0 -1,-0.3 0.239 92.0 115.0 105.2 -13.0 -7.9 99.2 15.3 16 79 A E S X> S- 0 0 37 -3,-2.2 3,-1.4 212,-0.1 4,-0.5 -0.253 88.2 -80.3 -80.9 178.2 -6.8 102.1 13.0 17 80 A Y H >> S+ 0 0 8 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.853 124.8 55.4 -46.6 -48.8 -3.3 102.3 11.6 18 81 A W H 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.679 86.8 78.0 -65.1 -19.7 -1.7 103.8 14.7 19 82 A T H <> S+ 0 0 19 -3,-1.4 4,-1.7 -6,-0.3 -1,-0.2 0.883 97.5 46.9 -57.7 -36.4 -2.8 101.1 17.1 20 83 A D H < S+ 0 0 83 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.922 109.7 56.5 -64.1 -42.7 9.0 96.8 28.3 31 94 A T H 3< S+ 0 0 69 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.885 116.7 35.9 -56.0 -39.5 12.1 95.5 26.5 32 95 A Y T >< S+ 0 0 42 -4,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.088 77.0 121.4-103.0 23.4 14.2 98.4 27.8 33 96 A S G X + 0 0 63 -3,-1.8 3,-2.6 1,-0.3 -1,-0.2 0.813 64.2 73.7 -53.5 -30.6 12.5 98.6 31.3 34 97 A D G 3 S+ 0 0 135 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.862 97.4 45.4 -50.2 -42.2 16.0 98.0 32.7 35 98 A F G < S- 0 0 74 -3,-1.7 -1,-0.3 2,-0.0 -32,-0.3 0.254 114.7-123.9 -88.2 11.4 16.9 101.5 31.8 36 99 A N < + 0 0 116 -3,-2.6 -33,-1.7 1,-0.1 2,-0.3 0.928 48.2 165.1 42.2 80.0 13.6 102.7 33.3 37 100 A I E -a 3 0A 11 -8,-0.3 2,-0.4 -5,-0.2 -33,-0.2 -0.881 21.7-157.5-120.9 153.1 12.1 104.6 30.3 38 101 A S E -a 4 0A 34 -35,-2.3 -33,-2.7 -2,-0.3 2,-0.7 -0.996 8.7-146.3-137.2 131.9 8.5 105.7 29.8 39 102 A A E -a 5 0A 8 -2,-0.4 2,-0.9 -35,-0.2 -33,-0.2 -0.860 11.1-158.7 -98.2 116.2 6.7 106.5 26.6 40 103 A N E -a 6 0A 54 -35,-2.3 -33,-2.1 -2,-0.7 2,-0.5 -0.814 10.7-162.3 -98.8 100.2 4.2 109.3 27.0 41 104 A I E +a 7 0A 28 -2,-0.9 2,-0.4 -35,-0.2 -33,-0.2 -0.683 13.0 174.3 -85.2 126.2 1.7 109.0 24.2 42 105 A T E -a 8 0A 28 -35,-2.2 -33,-1.8 -2,-0.5 2,-0.3 -0.991 19.6-142.1-130.8 141.3 -0.4 112.0 23.4 43 106 A H E -a 9 0A 69 -2,-0.4 2,-0.3 -35,-0.2 -35,-0.1 -0.757 16.2-159.0-102.7 150.5 -2.8 112.3 20.5 44 107 A Y E -a 10 0A 4 -35,-1.6 -33,-2.2 -2,-0.3 8,-0.1 -0.921 26.3-112.2-131.1 155.1 -3.4 115.5 18.5 45 108 A D - 0 0 51 -2,-0.3 3,-0.4 3,-0.2 7,-0.2 -0.760 29.5-159.7 -82.2 117.7 -6.0 117.0 16.3 46 109 A P S S+ 0 0 16 0, 0.0 27,-0.3 0, 0.0 -1,-0.2 0.696 84.4 39.7 -74.3 -18.8 -4.3 117.0 12.9 47 110 A Y S S+ 0 0 42 1,-0.1 2,-0.7 25,-0.1 95,-0.1 0.409 95.1 82.0-113.9 4.2 -6.5 119.6 11.3 48 111 A D > - 0 0 67 -3,-0.4 4,-3.3 1,-0.2 5,-0.2 -0.874 57.5-170.1-111.2 96.3 -7.0 122.1 14.1 49 112 A Y H > S+ 0 0 118 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.924 86.7 47.8 -49.6 -57.1 -3.9 124.3 14.1 50 113 A N H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 115.2 47.6 -55.8 -36.9 -4.7 126.0 17.4 51 114 A S H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 111.1 49.1 -69.4 -49.8 -5.4 122.6 18.9 52 115 A F H X S+ 0 0 5 -4,-3.3 4,-2.9 -7,-0.2 5,-0.2 0.883 111.2 51.1 -56.2 -42.0 -2.2 121.0 17.6 53 116 A V H X S+ 0 0 48 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.936 108.7 51.2 -61.2 -48.3 -0.2 124.0 18.9 54 117 A A H X S+ 0 0 63 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.908 115.5 40.9 -56.9 -45.6 -1.8 123.7 22.4 55 118 A T H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.905 115.6 49.9 -71.3 -40.9 -1.0 120.0 22.6 56 119 A S H X S+ 0 0 8 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.896 111.0 50.3 -63.7 -40.5 2.5 120.3 21.1 57 120 A Q H X S+ 0 0 83 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.887 107.8 53.5 -63.0 -40.3 3.2 123.1 23.5 58 121 A A H < S+ 0 0 48 -4,-1.7 4,-0.3 -5,-0.3 -2,-0.2 0.904 109.4 49.3 -61.6 -40.0 2.0 120.9 26.3 59 122 A V H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.939 111.7 47.0 -63.9 -48.5 4.5 118.2 25.1 60 123 A I H >< S+ 0 0 18 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.897 109.7 55.3 -60.1 -39.5 7.3 120.7 24.9 61 124 A E T 3< S+ 0 0 127 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.517 94.2 68.1 -73.7 -3.5 6.4 121.9 28.4 62 125 A E T < S- 0 0 90 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.519 102.0-134.4 -89.5 -6.7 6.7 118.4 29.7 63 126 A Q < - 0 0 164 -3,-1.6 -3,-0.1 -4,-0.3 -59,-0.1 0.943 31.5-168.4 54.3 56.9 10.4 118.6 29.1 64 127 A P - 0 0 7 0, 0.0 -59,-0.2 0, 0.0 -1,-0.1 -0.408 27.7-136.8 -77.9 154.8 10.9 115.2 27.5 65 128 A D S S+ 0 0 54 -61,-1.9 2,-0.3 1,-0.2 -60,-0.2 0.856 86.4 3.3 -73.2 -39.9 14.3 113.6 26.8 66 129 A G E -b 5 0A 0 -62,-1.4 -60,-2.6 23,-0.1 2,-0.4 -0.969 63.3-151.4-146.5 162.0 13.2 112.5 23.3 67 130 A V E -bc 6 91A 0 23,-1.8 25,-2.7 -2,-0.3 2,-0.4 -0.998 5.2-168.7-139.0 138.4 10.3 112.8 20.9 68 131 A X E -bc 7 92A 0 -62,-2.0 -60,-2.2 -2,-0.4 2,-0.4 -0.959 23.2-175.3-119.2 140.4 9.0 110.6 18.1 69 132 A F E -bc 8 93A 2 23,-3.5 25,-1.5 -2,-0.4 -60,-0.2 -0.982 26.2-151.1-148.3 132.6 6.4 112.3 16.0 70 133 A A - 0 0 0 -62,-2.2 2,-0.2 -2,-0.4 25,-0.1 -0.892 26.9-147.2-102.5 106.7 4.1 111.3 13.1 71 134 A P + 0 0 4 0, 0.0 75,-0.2 0, 0.0 25,-0.1 -0.470 28.4 164.0 -75.4 141.7 3.4 114.4 11.0 72 135 A T S S+ 0 0 15 1,-0.2 74,-0.3 -2,-0.2 -25,-0.1 0.640 77.5 23.5-117.0 -71.4 0.1 114.9 9.2 73 136 A V S > S- 0 0 8 -27,-0.3 3,-1.6 71,-0.2 -1,-0.2 -0.842 70.6-168.7 -99.8 97.8 -0.2 118.6 8.1 74 137 A P G >> S+ 0 0 24 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.815 77.5 70.7 -58.4 -31.0 3.4 119.7 8.0 75 138 A Q G 34 S+ 0 0 135 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.514 95.1 55.5 -67.5 -1.5 2.6 123.5 7.7 76 139 A Y G <4 S+ 0 0 69 -3,-1.6 -1,-0.3 1,-0.1 4,-0.3 0.397 99.5 65.7-105.5 0.9 1.4 123.4 11.3 77 140 A T T X> + 0 0 5 -3,-2.2 4,-2.1 -4,-0.2 3,-0.7 0.662 62.7 91.5-101.6 -19.0 4.8 122.1 12.6 78 141 A K H 3X S+ 0 0 125 -4,-0.5 4,-2.4 1,-0.3 5,-0.3 0.884 92.3 51.7 -44.8 -44.6 7.6 124.6 12.1 79 142 A G H 3> S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.911 110.6 48.4 -60.3 -41.4 6.9 126.1 15.5 80 143 A F H <> S+ 0 0 5 -3,-0.7 4,-1.9 -4,-0.3 -2,-0.2 0.970 115.1 41.6 -63.6 -56.1 7.1 122.6 17.2 81 144 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.821 112.9 53.9 -63.5 -34.8 10.3 121.5 15.5 82 145 A D H X S+ 0 0 73 -4,-2.4 4,-2.8 -5,-0.4 -1,-0.2 0.913 110.1 48.9 -65.6 -39.7 12.0 124.8 16.0 83 146 A A H X S+ 0 0 27 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.854 110.5 50.1 -67.3 -36.4 11.2 124.7 19.7 84 147 A L H X>S+ 0 0 1 -4,-1.9 5,-2.9 2,-0.2 4,-0.6 0.925 113.4 44.8 -69.1 -43.9 12.6 121.1 19.9 85 148 A N H ><5S+ 0 0 92 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.949 111.5 53.5 -63.4 -47.2 15.8 122.0 18.2 86 149 A E H 3<5S+ 0 0 173 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 112.6 44.5 -56.2 -34.9 16.1 125.2 20.3 87 150 A L H 3<5S- 0 0 99 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.501 113.1-118.8 -88.3 -4.3 15.7 123.1 23.5 88 151 A G T <<5 + 0 0 58 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.795 62.2 149.9 71.7 27.0 18.1 120.4 22.2 89 152 A I < - 0 0 17 -5,-2.9 -1,-0.2 -6,-0.2 -23,-0.1 -0.832 42.4-136.4 -97.1 107.1 15.4 117.8 22.4 90 153 A P - 0 0 25 0, 0.0 -23,-1.8 0, 0.0 2,-0.3 -0.320 24.0-164.8 -61.9 141.4 16.1 115.2 19.7 91 154 A Y E -c 67 0A 4 -25,-0.2 13,-3.1 -10,-0.0 14,-0.7 -0.972 12.3-148.2-134.8 149.3 13.1 114.0 17.6 92 155 A I E -cd 68 105A 0 -25,-2.7 -23,-3.5 -2,-0.3 2,-0.4 -0.933 10.3-144.7-116.9 133.4 12.2 111.2 15.3 93 156 A Y E -cd 69 106A 0 12,-2.4 14,-2.0 -2,-0.4 2,-0.4 -0.761 15.5-169.9 -95.2 141.9 9.8 111.3 12.3 94 157 A I E - d 0 107A 1 -25,-1.5 2,-2.4 -2,-0.4 14,-0.2 -0.968 64.1 -4.8-129.4 146.4 7.7 108.3 11.5 95 158 A D S S+ 0 0 17 12,-2.6 2,-0.3 -2,-0.4 14,-0.2 -0.382 126.3 42.1 73.8 -64.9 5.6 107.7 8.4 96 159 A S S S- 0 0 0 -2,-2.4 2,-0.2 -25,-0.1 -2,-0.2 -0.893 71.0-144.7-116.8 147.2 6.2 111.1 6.8 97 160 A Q - 0 0 42 -2,-0.3 2,-0.4 -4,-0.1 49,-0.1 -0.665 5.1-148.4-101.7 160.5 9.4 113.2 6.5 98 161 A I > - 0 0 5 -2,-0.2 3,-2.6 3,-0.2 -2,-0.0 -0.831 12.7-163.9-131.3 87.1 9.4 117.0 6.7 99 162 A K T 3 S+ 0 0 164 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.784 84.4 54.7 -41.7 -46.3 12.3 118.0 4.4 100 163 A D T 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.0 0, 0.0 0.452 114.7 44.2 -74.7 2.6 12.8 121.6 5.6 101 164 A A S < S- 0 0 11 -3,-2.6 -1,-0.3 -19,-0.0 -3,-0.2 -0.442 81.9-159.8-144.9 67.3 13.1 120.2 9.1 102 165 A P - 0 0 95 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.151 10.4-150.0 -51.9 135.2 15.4 117.2 9.3 103 166 A P - 0 0 24 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.216 30.7-100.3 -93.6-172.4 15.0 114.9 12.4 104 167 A L S S- 0 0 42 -13,-3.1 2,-0.3 1,-0.3 -12,-0.2 0.867 103.0 -8.3 -76.9 -38.5 17.5 112.8 14.3 105 168 A A E -d 92 0A 0 -14,-0.7 -12,-2.4 2,-0.0 2,-0.4 -0.990 61.5-146.8-157.9 155.6 16.0 109.7 12.5 106 169 A F E -de 93 272A 1 165,-3.7 167,-1.9 -2,-0.3 2,-0.4 -0.986 6.5-171.0-131.5 138.7 13.1 108.7 10.2 107 170 A F E +de 94 273A 1 -14,-2.0 -12,-2.6 -2,-0.4 2,-0.3 -0.987 44.2 82.7-131.6 118.3 11.2 105.4 10.0 108 171 A G E S- e 0 274A 0 165,-1.7 167,-2.6 -2,-0.4 2,-0.1 -0.949 75.7 -58.6 169.4 178.7 8.8 104.9 7.1 109 172 A Q - 0 0 0 -2,-0.3 2,-1.5 165,-0.3 3,-0.1 -0.392 49.6-105.9 -81.2 160.2 8.5 103.9 3.5 110 173 A N > - 0 0 28 165,-0.5 4,-2.7 1,-0.2 5,-0.2 -0.778 40.8-158.5 -81.7 96.2 10.3 105.5 0.6 111 174 A S H > S+ 0 0 13 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.839 84.3 53.2 -49.4 -42.5 7.0 107.1 -0.5 112 175 A H H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 114.3 40.6 -61.0 -50.7 8.2 107.6 -4.0 113 176 A Q H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.822 110.8 58.7 -67.3 -33.9 9.2 104.0 -4.5 114 177 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.886 110.0 43.2 -64.0 -38.6 6.2 102.7 -2.7 115 178 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.865 111.0 53.7 -74.4 -37.7 3.9 104.4 -5.2 116 179 A Y H X S+ 0 0 45 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.921 112.2 46.1 -61.0 -45.1 6.0 103.4 -8.2 117 180 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 455,-0.2 -1,-0.2 0.881 108.9 55.1 -63.6 -41.5 5.7 99.8 -6.9 118 181 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.868 106.1 52.7 -61.5 -37.2 1.9 100.2 -6.3 119 182 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 106.9 51.7 -64.2 -46.3 1.6 101.3 -9.9 120 183 A R H X S+ 0 0 42 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 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