==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-APR-12 4EM2 . COMPND 2 MOLECULE: UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATO . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Y.M.CHANG,T.-P.KO,C.K.-M.CHEN,A.H.-J.WANG . 150 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 76.7 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 . 6 4.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 0 1 0 1 0 0 3 0 0 0 0 0 0 0 1 0 1 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 . 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 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 7 A T > 0 0 110 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.8 17.6 45.2 -8.6 2 8 A A H > + 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.995 360.0 38.3 -59.2 -63.9 15.6 44.0 -5.5 3 9 A A H > S+ 0 0 7 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.895 120.7 49.5 -52.9 -42.0 16.7 40.3 -5.9 4 10 A A H >4 S+ 0 0 67 2,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.890 108.5 51.6 -63.5 -44.2 20.2 41.6 -6.9 5 11 A K H 3< S+ 0 0 108 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.972 107.1 52.7 -57.0 -55.1 20.4 44.0 -3.9 6 12 A F H 3< 0 0 55 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.700 360.0 360.0 -54.5 -21.1 19.5 41.1 -1.6 7 13 A E << 0 0 165 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 -0.701 360.0 360.0 82.0 360.0 22.4 39.2 -3.3 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 39 A M > 0 0 186 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 147.9 25.6 11.5 -2.9 10 40 A L H > + 0 0 139 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.880 360.0 54.9 -76.2 -39.3 21.8 11.6 -2.2 11 41 A S H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 108.9 48.9 -63.6 -34.6 22.3 14.0 0.7 12 42 A Q H > S+ 0 0 126 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.945 113.6 43.5 -69.0 -48.4 24.1 16.4 -1.5 13 43 A E H X S+ 0 0 133 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.883 113.6 55.8 -64.0 -35.8 21.6 16.4 -4.4 14 44 A F H X S+ 0 0 71 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.962 110.8 40.7 -59.9 -57.5 18.9 16.6 -1.6 15 45 A F H >X S+ 0 0 82 -4,-2.5 4,-2.7 1,-0.2 3,-0.7 0.924 114.7 54.1 -61.9 -40.0 20.3 19.8 -0.1 16 46 A N H 3X S+ 0 0 81 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.863 98.0 64.5 -62.1 -35.7 21.0 21.2 -3.5 17 47 A S H 3< S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.4 26.4 -59.1 -35.4 17.4 20.7 -4.6 18 48 A F H << S+ 0 0 42 -4,-1.0 4,-0.5 -3,-0.7 3,-0.5 0.780 118.5 54.9-101.2 -25.9 16.1 23.1 -2.0 19 49 A I H >< S+ 0 0 109 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.906 107.3 51.8 -72.8 -36.6 19.1 25.5 -1.5 20 50 A T T 3< S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 0.597 97.8 67.2 -76.8 -8.9 19.3 26.3 -5.2 21 51 A I T 3> S+ 0 0 110 -3,-0.5 4,-2.1 -5,-0.2 -1,-0.2 0.719 83.5 76.8 -79.4 -20.9 15.7 27.2 -5.5 22 52 A Y H <> S+ 0 0 107 -3,-1.0 4,-2.3 -4,-0.5 5,-0.2 0.943 95.2 42.2 -55.2 -58.0 16.1 30.3 -3.3 23 53 A R H > S+ 0 0 104 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.908 115.4 48.0 -59.2 -48.4 17.6 32.7 -5.8 24 54 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.882 112.6 53.4 -59.5 -38.0 15.4 31.8 -8.7 25 55 A Y H X S+ 0 0 83 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.927 109.0 46.2 -63.2 -45.6 12.5 32.1 -6.3 26 56 A L H X S+ 0 0 13 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.854 109.1 55.0 -69.0 -32.4 13.5 35.6 -5.3 27 57 A K H < S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.2 48.6 -66.0 -40.1 14.0 36.7 -8.8 28 58 A L H < S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.855 115.6 41.9 -69.1 -33.6 10.6 35.7 -9.7 29 59 A T H >X S+ 0 0 5 -4,-1.7 3,-1.4 1,-0.2 4,-1.0 0.629 90.5 94.2 -88.3 -9.3 8.9 37.4 -6.7 30 60 A E H 3X S+ 0 0 35 -4,-1.4 4,-2.7 1,-0.3 3,-0.5 0.864 76.6 56.9 -47.7 -51.2 11.1 40.6 -7.1 31 61 A P H 3> S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.820 98.7 62.9 -56.8 -30.1 8.7 42.6 -9.3 32 62 A I H <4 S+ 0 0 16 -3,-1.4 4,-0.5 -4,-0.2 -2,-0.2 0.939 111.3 37.0 -61.7 -45.8 6.0 42.2 -6.5 33 63 A L H ><>S+ 0 0 3 -4,-1.0 5,-1.7 -3,-0.5 3,-1.5 0.917 114.0 55.5 -70.9 -44.3 8.1 44.1 -4.1 34 64 A E H ><5S+ 0 0 75 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.881 100.1 60.6 -57.2 -40.7 9.5 46.6 -6.7 35 65 A K T 3<5S+ 0 0 147 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.785 108.6 45.7 -56.5 -26.8 6.0 47.5 -7.7 36 66 A H T < 5S- 0 0 51 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.172 113.3-117.4-102.2 14.9 5.6 48.7 -4.1 37 67 A N T < 5S+ 0 0 142 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.830 75.7 121.0 55.5 40.2 8.9 50.5 -3.9 38 68 A I < - 0 0 3 -5,-1.7 -2,-0.2 4,-0.0 -1,-0.2 -0.968 53.4-137.7-132.5 148.1 10.2 48.2 -1.2 39 69 A Y > - 0 0 92 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.572 30.7-103.1 -98.9 167.9 13.3 46.0 -1.2 40 70 A Y H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.876 118.9 49.3 -60.4 -47.5 13.6 42.5 0.1 41 71 A G H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 114.3 48.3 -55.7 -47.0 15.4 43.3 3.4 42 72 A Q H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.915 109.8 52.2 -57.6 -46.4 12.8 45.9 4.1 43 73 A W H X S+ 0 0 18 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.934 107.0 52.1 -61.9 -41.7 10.0 43.6 3.3 44 74 A L H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 113.4 42.7 -62.2 -42.5 11.2 40.9 5.6 45 75 A I H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.924 114.2 52.8 -69.3 -41.0 11.4 43.3 8.6 46 76 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.943 111.9 45.3 -57.4 -46.9 8.0 44.8 7.6 47 77 A R H X S+ 0 0 90 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.900 110.9 53.8 -63.5 -43.7 6.4 41.4 7.5 48 78 A D H X S+ 0 0 10 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.919 110.8 45.3 -59.0 -45.1 8.1 40.5 10.8 49 79 A I H >X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 3,-0.6 0.929 108.8 57.9 -64.2 -42.0 6.6 43.6 12.5 50 80 A A H 3< S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.918 112.1 41.5 -54.7 -45.4 3.2 42.9 10.9 51 81 A K H 3< S+ 0 0 131 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.677 127.5 28.1 -79.9 -15.4 3.1 39.5 12.5 52 82 A H H << S+ 0 0 87 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.447 89.6 175.0-125.9 -1.1 4.5 40.5 15.9 53 83 A Q < + 0 0 59 -4,-2.8 46,-0.1 -5,-0.1 2,-0.1 -0.185 60.5 52.2 -60.2 149.4 3.6 44.1 16.6 54 84 A P S S+ 0 0 82 0, 0.0 2,-0.2 0, 0.0 45,-0.2 0.433 92.3 143.6 -71.7 134.3 3.9 45.9 18.8 55 85 A T B -A 98 0A 0 43,-1.9 43,-3.0 -2,-0.1 2,-0.3 -0.775 39.0-126.9-134.5 179.7 7.5 44.8 18.7 56 86 A T > - 0 0 8 -2,-0.2 4,-2.9 41,-0.2 5,-0.2 -0.898 29.4-109.3-130.0 160.7 11.0 46.2 19.1 57 87 A L H > S+ 0 0 6 39,-0.4 4,-2.7 36,-0.4 5,-0.2 0.906 121.0 56.7 -51.6 -41.8 14.4 46.4 17.2 58 88 A I H > S+ 0 0 65 36,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.941 110.2 40.1 -54.0 -55.6 15.6 43.9 19.9 59 89 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 115.0 53.6 -63.3 -41.0 12.9 41.3 19.2 60 90 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.968 107.6 49.1 -58.7 -55.9 13.1 41.9 15.4 61 91 A S H X>S+ 0 0 11 -4,-2.7 5,-1.6 1,-0.2 4,-1.2 0.855 112.8 50.4 -50.4 -40.8 16.9 41.3 15.3 62 92 A H H <5S+ 0 0 156 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.943 113.4 40.7 -69.0 -50.1 16.6 38.2 17.3 63 93 A R H <5S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.4 45.0 -67.1 -34.5 13.8 36.5 15.3 64 94 A R H <5S- 0 0 80 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.682 100.8-136.4 -81.0 -18.0 15.4 37.6 11.9 65 95 A A T <5 + 0 0 86 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.957 58.4 129.8 61.7 48.6 18.9 36.6 13.0 66 96 A I < - 0 0 55 -5,-1.6 2,-0.3 -6,-0.1 -1,-0.2 -0.800 63.5 -93.4-123.2 171.4 20.5 39.7 11.6 67 97 A E >> - 0 0 140 -2,-0.3 4,-2.1 1,-0.1 3,-2.0 -0.716 32.7-114.6 -92.0 140.3 22.9 42.2 13.3 68 98 A K H 3> S+ 0 0 61 -2,-0.3 4,-3.7 1,-0.3 5,-0.2 0.750 115.6 55.5 -34.2 -47.0 21.5 45.3 15.1 69 99 A P H 3> S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.859 110.8 45.4 -59.5 -40.0 23.3 47.6 12.5 70 100 A T H <> S+ 0 0 74 -3,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 116.3 44.5 -70.3 -47.8 21.5 45.8 9.7 71 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.935 113.2 51.6 -62.2 -44.0 18.2 45.9 11.5 72 102 A R H X S+ 0 0 69 -4,-3.7 4,-2.6 -5,-0.2 -2,-0.2 0.947 110.9 48.1 -58.6 -49.9 18.6 49.6 12.5 73 103 A K H X S+ 0 0 142 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.871 113.4 45.6 -59.2 -41.6 19.4 50.6 9.0 74 104 A T H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.914 113.8 49.4 -70.9 -41.9 16.4 48.8 7.4 75 105 A L H X S+ 0 0 9 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.922 106.0 57.3 -62.6 -42.4 14.0 50.1 10.1 76 106 A K H X S+ 0 0 143 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.890 108.8 45.6 -55.9 -40.0 15.3 53.5 9.5 77 107 A A H X S+ 0 0 27 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.931 110.7 52.6 -70.5 -43.0 14.3 53.2 5.9 78 108 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 6,-0.7 0.936 113.1 45.4 -55.0 -43.4 10.9 51.7 6.8 79 109 A I H ><5S+ 0 0 74 -4,-3.1 3,-2.4 1,-0.2 -2,-0.2 0.952 112.1 51.1 -64.8 -48.5 10.3 54.7 9.1 80 110 A E H 3<5S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 108.2 52.7 -60.8 -30.5 11.5 57.2 6.5 81 111 A N T 3<5S- 0 0 59 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.355 114.6-117.0 -86.2 6.3 9.2 55.6 4.0 82 112 A D T < 5S+ 0 0 94 -3,-2.4 22,-0.4 2,-0.2 21,-0.3 0.829 82.6 118.8 66.1 29.6 6.2 56.0 6.4 83 113 A L S > - 0 0 92 1,-0.1 3,-2.5 2,-0.0 4,-0.9 -0.466 43.4-121.7 -71.0 140.9 16.5 53.8 23.8 93 123 A K G >4 S+ 0 0 154 1,-0.3 3,-1.2 2,-0.2 -36,-0.4 0.891 113.5 61.2 -47.8 -42.9 15.4 53.5 20.1 94 124 A R G 34 S+ 0 0 90 1,-0.2 -36,-1.8 -37,-0.1 -1,-0.3 0.656 106.8 46.1 -62.1 -14.4 16.1 49.8 20.3 95 125 A Q G <4 S+ 0 0 90 -3,-2.5 -1,-0.2 -38,-0.1 -2,-0.2 0.511 88.1 110.5-100.5 -16.1 13.5 49.4 23.1 96 126 A K S << S- 0 0 34 -3,-1.2 -39,-0.4 -4,-0.9 2,-0.2 -0.317 74.5-109.0 -67.2 142.5 10.7 51.6 21.4 97 127 A F - 0 0 96 -41,-0.1 -10,-3.4 -43,-0.1 2,-0.4 -0.530 32.1-156.8 -76.8 141.1 7.6 49.8 20.2 98 128 A L E +AB 55 86A 8 -43,-3.0 -43,-1.9 -12,-0.2 2,-0.3 -0.963 17.6 164.0-121.8 135.2 7.1 49.5 16.5 99 129 A T E - B 0 85A 43 -14,-1.9 -14,-3.1 -2,-0.4 2,-0.1 -0.962 40.5 -93.3-143.3 161.3 3.9 49.0 14.5 100 130 A L E - B 0 84A 10 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.1 -0.460 33.9-134.0 -75.0 145.9 2.8 49.4 10.9 101 131 A T > - 0 0 4 -18,-1.8 4,-2.3 -2,-0.1 5,-0.2 -0.435 35.9 -96.9 -84.8 171.4 1.3 52.6 9.7 102 132 A P H > S+ 0 0 115 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.876 129.6 51.1 -58.3 -37.6 -1.9 52.5 7.6 103 133 A K H > S+ 0 0 109 -21,-0.3 4,-2.8 2,-0.2 5,-0.2 0.933 107.6 53.9 -62.5 -44.5 0.3 52.8 4.5 104 134 A G H > S+ 0 0 0 -22,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.914 108.6 48.3 -56.5 -44.7 2.4 49.9 5.8 105 135 A H H X S+ 0 0 66 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.887 110.5 50.5 -64.6 -39.7 -0.7 47.7 6.2 106 136 A E H X S+ 0 0 118 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.936 112.3 46.5 -64.7 -44.4 -1.9 48.5 2.7 107 137 A L H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.967 113.1 51.7 -62.0 -45.1 1.4 47.6 1.2 108 138 A Y H X S+ 0 0 37 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.902 108.8 47.7 -57.7 -49.5 1.6 44.4 3.3 109 139 A E H X S+ 0 0 118 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.895 113.3 49.7 -63.2 -36.4 -1.8 43.1 2.3 110 140 A I H X S+ 0 0 54 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.932 113.7 42.4 -69.6 -46.6 -1.1 43.7 -1.3 111 141 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.956 113.2 54.2 -62.1 -46.9 2.3 42.0 -1.4 112 142 A C H X S+ 0 0 37 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.912 110.2 44.8 -56.7 -46.2 1.1 39.1 0.7 113 143 A L H X S+ 0 0 89 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.938 113.0 50.8 -65.9 -46.4 -1.8 38.4 -1.6 114 144 A D H X S+ 0 0 49 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.918 111.8 48.1 -56.5 -43.8 0.3 38.7 -4.8 115 145 A V H X S+ 0 0 27 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.945 111.3 50.7 -61.9 -44.5 2.9 36.3 -3.3 116 146 A Q H X S+ 0 0 89 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.890 113.0 45.0 -60.7 -42.6 0.2 33.9 -2.4 117 147 A K H X S+ 0 0 104 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.889 112.2 51.4 -69.8 -40.1 -1.3 33.9 -5.8 118 148 A L H X S+ 0 0 47 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.914 109.9 50.0 -63.8 -41.7 2.1 33.6 -7.5 119 149 A Q H X S+ 0 0 88 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.942 110.4 50.1 -59.8 -46.3 2.9 30.6 -5.3 120 150 A Q H X S+ 0 0 140 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.916 110.2 51.7 -58.7 -40.1 -0.4 29.0 -6.2 121 151 A A H X S+ 0 0 49 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.954 107.9 49.9 -61.5 -53.5 0.3 29.6 -9.9 122 152 A V H >< S+ 0 0 70 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.920 112.9 47.5 -50.8 -48.1 3.8 28.0 -9.7 123 153 A V H >< S+ 0 0 44 -4,-2.5 3,-2.6 1,-0.2 5,-0.4 0.930 104.4 60.4 -61.8 -42.0 2.3 24.9 -8.1 124 154 A A H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.700 99.8 57.3 -59.0 -23.9 -0.5 24.7 -10.6 125 155 A K T << S+ 0 0 190 -4,-1.1 -1,-0.3 -3,-0.9 2,-0.2 0.440 104.0 65.5 -86.8 0.1 2.0 24.3 -13.4 126 156 A T S < S- 0 0 56 -3,-2.6 -3,-0.0 -4,-0.2 0, 0.0 -0.671 85.8-118.4-116.0 175.5 3.5 21.2 -11.7 127 157 A N + 0 0 170 -2,-0.2 2,-0.2 2,-0.0 -3,-0.1 0.223 65.8 137.0 -95.1 13.5 2.3 17.7 -10.8 128 158 A I - 0 0 77 -5,-0.4 2,-0.2 4,-0.1 -2,-0.1 -0.406 41.4-149.8 -68.5 132.8 2.7 18.3 -7.2 129 159 A S > - 0 0 48 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.520 27.3-110.5 -97.6 165.9 -0.1 17.1 -5.0 130 160 A Q H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 122.3 51.5 -61.4 -36.9 -1.4 18.4 -1.7 131 161 A D H > S+ 0 0 123 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.935 107.1 50.7 -66.9 -46.1 0.0 15.3 -0.1 132 162 A Q H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.886 109.2 54.1 -59.1 -36.3 3.4 15.8 -1.7 133 163 A M H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.918 110.9 43.0 -65.5 -42.6 3.3 19.4 -0.3 134 164 A Q H X S+ 0 0 104 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.885 112.7 52.7 -72.5 -36.8 2.7 18.3 3.3 135 165 A E H X S+ 0 0 113 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.921 111.0 48.0 -60.5 -45.5 5.2 15.5 3.1 136 166 A T H X S+ 0 0 79 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.943 110.2 51.5 -59.6 -48.3 7.8 18.1 1.9 137 167 A I H X S+ 0 0 75 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.920 108.3 53.6 -52.6 -46.4 6.9 20.4 4.7 138 168 A N H X S+ 0 0 65 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.888 112.0 42.7 -57.3 -44.9 7.4 17.6 7.1 139 169 A V H >X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 3,-0.5 0.952 112.7 52.3 -66.7 -51.2 10.9 16.9 5.9 140 170 A M H 3X S+ 0 0 54 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.899 106.6 52.7 -55.1 -45.5 11.9 20.5 5.6 141 171 A N H 3X S+ 0 0 86 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.849 105.3 55.7 -61.3 -32.4 10.8 21.3 9.2 142 172 A Q H