==== 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 21-JUL-06 2HS5 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR GNTR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR K.TAN,T.SKARINA,A.ONOPRIYENKO,A.SAVCHENKO,A.EDWARDS,A.JOACHI . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 81.2 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 . 8 3.9 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 . 1 0.5 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 1 0 0 0 0 1 0 1 2 0 0 0 2 2 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 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 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 25 A T > 0 0 141 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -15.9 21.1 40.8 35.4 2 26 A S H > + 0 0 93 2,-0.2 4,-1.0 3,-0.1 5,-0.1 0.775 360.0 45.7-104.3 -29.3 22.3 40.9 39.0 3 27 A R H > S+ 0 0 117 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.837 119.2 50.7 -68.3 -33.8 19.0 40.5 41.0 4 28 A T H > S+ 0 0 5 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.916 105.9 50.6 -65.7 -55.1 18.6 37.8 38.4 5 29 A T H X S+ 0 0 81 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.797 114.0 46.6 -54.6 -34.0 22.0 36.1 38.9 6 30 A R H X S+ 0 0 123 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.893 111.7 48.6 -83.9 -39.2 21.3 35.9 42.5 7 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.941 112.4 51.3 -58.0 -48.1 17.7 34.6 42.1 8 32 A A H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.856 107.7 52.4 -61.4 -35.5 19.1 32.0 39.7 9 33 A G H X S+ 0 0 12 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.901 107.5 50.3 -66.3 -43.9 21.8 31.0 42.2 10 34 A I H X S+ 0 0 70 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.937 116.3 43.9 -52.9 -46.8 19.2 30.4 45.1 11 35 A L H X S+ 0 0 5 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.913 113.6 48.4 -72.7 -40.1 17.2 28.3 42.7 12 36 A R H X S+ 0 0 53 -4,-2.5 4,-2.9 2,-0.2 3,-0.4 0.947 110.7 51.7 -65.4 -45.7 20.2 26.4 41.3 13 37 A D H X S+ 0 0 94 -4,-3.1 4,-2.4 1,-0.3 6,-0.2 0.877 108.0 52.8 -61.0 -35.3 21.5 25.7 44.8 14 38 A A H X>S+ 0 0 18 -4,-2.1 6,-2.2 1,-0.2 5,-1.0 0.779 110.4 46.3 -69.7 -29.0 18.1 24.3 45.8 15 39 A I H <5S+ 0 0 1 -4,-1.4 3,-0.4 -3,-0.4 -2,-0.2 0.917 112.0 51.9 -75.7 -40.3 18.1 22.0 42.8 16 40 A I H <5S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.965 112.2 46.0 -55.9 -47.0 21.8 20.9 43.6 17 41 A D H <5S- 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.598 115.5-115.4 -80.1 -9.6 20.9 20.1 47.1 18 42 A G T <5S+ 0 0 9 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.510 79.2 125.4 94.5 5.9 17.8 18.2 46.3 19 43 A T S - 0 0 93 -2,-0.6 3,-3.1 1,-0.1 44,-0.3 -0.443 28.7 -83.6 -83.1 152.9 13.3 17.2 43.5 22 46 A P T 3 S+ 0 0 25 0, 0.0 44,-0.2 0, 0.0 45,-0.2 -0.273 122.5 22.7 -52.0 135.8 13.7 16.0 39.8 23 47 A G T 3 S+ 0 0 35 42,-2.4 44,-0.1 1,-0.3 43,-0.1 0.190 91.6 134.8 87.2 -18.3 10.4 16.5 38.2 24 48 A A < - 0 0 33 -3,-3.1 41,-3.0 42,-0.1 -1,-0.3 -0.412 55.2-119.7 -68.8 145.2 9.2 19.2 40.7 25 49 A R E -A 64 0A 127 39,-0.3 2,-0.7 -3,-0.1 39,-0.3 -0.621 14.7-140.1 -77.0 137.3 7.5 22.4 39.3 26 50 A L E -A 63 0A 2 37,-3.0 2,-0.7 -2,-0.3 37,-0.7 -0.890 19.8-144.5-101.8 121.7 9.0 25.8 40.0 27 51 A S > - 0 0 13 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 -0.737 10.1-160.6 -91.0 118.8 6.2 28.2 40.6 28 52 A E H > S+ 0 0 44 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.843 92.0 43.1 -60.3 -50.6 6.7 31.7 39.4 29 53 A P H > S+ 0 0 62 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.885 115.2 50.4 -65.6 -38.0 4.1 33.4 41.6 30 54 A D H > S+ 0 0 114 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.962 116.4 43.1 -61.4 -47.2 5.2 31.4 44.8 31 55 A I H X S+ 0 0 18 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.942 114.8 46.8 -61.3 -53.0 8.8 32.3 44.1 32 56 A C H X>S+ 0 0 13 -4,-2.7 4,-1.6 -5,-0.2 5,-0.8 0.888 114.3 49.9 -54.0 -47.1 8.1 36.0 43.3 33 57 A A H ><5S+ 0 0 66 -4,-2.6 3,-0.6 2,-0.2 -2,-0.2 0.995 115.5 40.9 -58.6 -61.5 5.9 36.3 46.3 34 58 A A H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.906 125.1 35.3 -55.2 -49.7 8.5 34.7 48.7 35 59 A L H 3<5S- 0 0 53 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.662 99.1-134.3 -79.9 -12.4 11.5 36.5 47.3 36 60 A D T <<5 + 0 0 143 -4,-1.6 2,-0.3 -3,-0.6 -3,-0.2 0.914 58.6 128.9 51.8 51.7 9.8 39.8 46.4 37 61 A V < - 0 0 16 -5,-0.8 -1,-0.2 -6,-0.2 2,-0.1 -0.714 61.6 -91.5-121.9 178.4 11.2 40.2 43.0 38 62 A S > - 0 0 52 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.428 32.5-109.0 -90.1 162.7 9.4 40.8 39.7 39 63 A R H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.807 119.2 54.4 -52.0 -38.8 8.2 38.2 37.3 40 64 A N H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.897 103.5 55.1 -66.4 -38.8 10.8 39.1 34.8 41 65 A T H > S+ 0 0 9 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.961 113.1 42.9 -56.1 -50.5 13.5 38.5 37.4 42 66 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.896 113.4 50.8 -66.7 -42.6 12.1 35.0 37.9 43 67 A R H X S+ 0 0 113 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.922 110.1 49.9 -62.3 -40.2 11.6 34.3 34.2 44 68 A E H X S+ 0 0 75 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.944 109.2 51.7 -64.8 -43.7 15.2 35.4 33.5 45 69 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.941 107.8 53.5 -50.2 -49.0 16.5 33.0 36.3 46 70 A F H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.901 105.7 53.9 -55.3 -39.8 14.4 30.2 34.7 47 71 A Q H X S+ 0 0 96 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.948 108.0 48.8 -59.2 -48.8 16.2 31.0 31.4 48 72 A I H X S+ 0 0 42 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.932 111.6 49.5 -54.0 -41.2 19.6 30.6 33.1 49 73 A L H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.3 6,-1.0 0.827 108.5 54.5 -75.4 -32.8 18.5 27.2 34.7 50 74 A I H ><5S+ 0 0 52 -4,-2.7 3,-1.1 -5,-0.3 -1,-0.3 0.923 109.3 45.1 -61.5 -45.8 17.3 26.1 31.3 51 75 A E H 3<5S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.953 108.8 57.8 -67.8 -39.4 20.7 26.8 29.7 52 76 A D T 3<5S- 0 0 8 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.576 112.9-124.5 -59.4 -8.5 22.3 25.0 32.8 53 77 A R T < 5S+ 0 0 96 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.713 81.6 114.6 63.1 26.8 20.2 22.0 31.8 54 78 A L S > -B 62 0A 76 4,-3.2 4,-2.1 -2,-0.4 3,-1.9 -0.977 29.8-107.7-103.2 124.9 6.7 22.4 29.4 59 83 A L T 34 S- 0 0 150 -2,-0.5 -1,-0.1 1,-0.3 4,-0.0 0.675 101.1 -10.2 -7.7 -74.3 4.3 23.9 26.8 60 84 A N T 34 S+ 0 0 157 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.115 126.5 76.3-125.3 25.3 1.5 25.2 28.9 61 85 A R T <4 S- 0 0 139 -3,-1.9 2,-0.2 1,-0.4 -2,-0.2 0.616 90.5-126.6-114.3 -21.5 2.5 23.6 32.2 62 86 A G E < - B 0 58A 18 -4,-2.1 -4,-3.2 -37,-0.1 2,-0.4 -0.711 47.6 -28.7 109.2-160.1 5.4 25.8 33.4 63 87 A V E -AB 26 57A 5 -37,-0.7 -37,-3.0 -2,-0.2 2,-0.4 -0.790 52.8-175.1-105.1 138.9 9.0 24.9 34.4 64 88 A F E -AB 25 56A 22 -8,-2.4 -8,-2.2 -2,-0.4 -39,-0.3 -0.975 34.5-106.8-132.7 137.8 10.0 21.5 36.0 65 89 A V E - B 0 55A 2 -41,-3.0 -42,-2.4 -2,-0.4 -10,-0.3 -0.476 55.5-102.5 -59.0 134.0 13.4 20.4 37.3 66 90 A R - 0 0 43 -12,-3.3 -42,-0.1 -44,-0.2 -1,-0.1 -0.193 20.6-152.1 -61.5 148.1 14.7 17.9 34.7 67 91 A V - 0 0 54 -45,-0.2 -1,-0.1 -44,-0.1 87,-0.1 -0.929 25.8-137.9-115.4 100.8 14.7 14.2 34.8 68 92 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 89,-0.0 -0.281 16.4-132.1 -58.1 135.8 17.8 13.0 32.7 69 93 A T > - 0 0 72 1,-0.1 4,-1.9 137,-0.0 3,-0.2 -0.385 28.8 -98.7 -76.8 161.6 17.1 9.9 30.4 70 94 A A H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.875 128.2 54.0 -41.9 -49.3 19.4 6.9 30.1 71 95 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 105.1 52.9 -57.9 -40.3 20.8 8.5 26.9 72 96 A D H > S+ 0 0 25 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.902 108.9 50.7 -61.3 -39.9 21.6 11.7 28.9 73 97 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.884 108.8 49.0 -69.6 -42.8 23.5 9.6 31.4 74 98 A T H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.918 111.7 51.8 -60.0 -39.8 25.6 7.8 28.7 75 99 A E H X S+ 0 0 102 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 108.2 50.9 -63.5 -40.4 26.4 11.3 27.3 76 100 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.859 108.9 50.0 -66.0 -45.0 27.5 12.6 30.6 77 101 A Y H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.866 107.3 54.4 -61.7 -38.3 29.8 9.6 31.2 78 102 A I H X S+ 0 0 83 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.983 111.7 46.0 -58.1 -49.8 31.4 10.0 27.7 79 103 A C H X S+ 0 0 45 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.849 114.0 48.4 -57.4 -42.0 32.2 13.7 28.7 80 104 A R H X>S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.6 0.910 110.9 49.4 -71.1 -38.4 33.5 12.8 32.1 81 105 A R H X5S+ 0 0 54 -4,-2.7 4,-1.4 2,-0.2 5,-0.4 0.933 113.3 47.5 -62.8 -45.7 35.7 10.1 30.8 82 106 A V H X5S+ 0 0 100 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.960 122.7 30.7 -58.6 -53.4 37.2 12.4 28.2 83 107 A V H X5S+ 0 0 23 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.859 122.0 45.6 -85.7 -40.9 37.9 15.3 30.4 84 108 A E H X5S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.919 113.7 49.2 -69.0 -40.0 38.6 13.7 33.8 85 109 A C H X< S+ 0 0 0 -4,-2.5 3,-1.3 2,-0.2 -2,-0.2 0.936 116.8 47.0 -68.2 -52.1 44.5 12.7 35.6 89 113 A N H 3< S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.767 115.3 46.4 -65.8 -28.9 46.7 11.3 32.8 90 114 A G T 3< S+ 0 0 60 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.387 83.1 128.4 -92.9 2.4 48.2 14.7 32.1 91 115 A F < - 0 0 19 -3,-1.3 93,-0.1 -5,-0.1 -3,-0.1 -0.335 48.8-149.6 -68.7 140.8 48.8 15.5 35.7 92 116 A D >> - 0 0 85 1,-0.2 4,-4.8 -2,-0.0 3,-0.7 -0.897 7.9-167.7-114.2 101.8 52.4 16.7 36.5 93 117 A P T 34 S+ 0 0 69 0, 0.0 2,-3.3 0, 0.0 -1,-0.2 0.954 85.0 64.0 -53.2 -59.4 53.4 15.7 40.1 94 118 A A T 34 S+ 0 0 97 1,-0.2 -2,-0.0 88,-0.1 0, 0.0 0.030 129.8 0.9 -47.7 29.5 56.5 18.0 40.0 95 119 A T T <4 S+ 0 0 109 -2,-3.3 -1,-0.2 -3,-0.7 -4,-0.0 0.144 101.8 105.2 171.2 -42.7 54.3 21.1 39.6 96 120 A G < - 0 0 28 -4,-4.8 2,-0.5 1,-0.1 -1,-0.3 -0.164 61.9-128.0 -66.0 159.6 50.6 20.3 39.7 97 121 A D - 0 0 115 1,-0.1 3,-0.3 37,-0.1 4,-0.2 -0.934 22.7-179.5-114.7 125.6 48.4 21.0 42.7 98 122 A L >> + 0 0 20 -2,-0.5 4,-2.1 1,-0.2 3,-0.6 0.443 53.7 105.7 -96.2 5.4 46.2 18.3 44.4 99 123 A S H 3> S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.726 79.5 46.6 -64.8 -33.4 44.7 20.4 47.2 100 124 A R H 3> S+ 0 0 162 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.817 110.4 53.3 -78.8 -31.6 41.3 20.9 45.8 101 125 A V H <> S+ 0 0 1 -3,-0.6 4,-1.6 29,-0.2 -2,-0.2 0.946 113.5 46.5 -57.6 -44.4 41.0 17.1 44.9 102 126 A A H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.3 5,-0.2 0.879 108.8 53.6 -71.7 -42.0 41.9 16.6 48.6 103 127 A E H X S+ 0 0 114 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.862 105.6 53.4 -61.4 -37.6 39.5 19.1 49.9 104 128 A A H X S+ 0 0 7 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.895 110.4 47.5 -66.2 -38.8 36.7 17.5 48.1 105 129 A L H X S+ 0 0 5 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.912 109.5 51.9 -63.4 -47.5 37.6 14.2 49.7 106 130 A D H X S+ 0 0 100 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.899 111.6 50.2 -48.8 -43.6 37.8 15.7 53.3 107 131 A L H X S+ 0 0 56 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.861 110.1 47.3 -67.4 -38.9 34.4 17.2 52.6 108 132 A A H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.891 109.7 54.0 -66.4 -45.4 32.9 13.8 51.4 109 133 A D H X S+ 0 0 64 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.904 108.1 50.8 -56.0 -48.0 34.3 12.0 54.5 110 134 A E H X S+ 0 0 112 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.873 111.3 46.2 -54.0 -47.4 32.6 14.6 56.7 111 135 A R H <>S+ 0 0 69 -4,-1.7 5,-3.0 2,-0.2 9,-0.2 0.819 112.4 51.4 -61.1 -40.0 29.1 14.2 55.0 112 136 A Y H ><5S+ 0 0 93 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.947 105.9 54.4 -65.3 -43.3 29.6 10.5 55.2 113 137 A A H 3<5S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.784 113.9 43.6 -59.8 -30.9 30.4 10.7 59.1 114 138 A V T 3<5S- 0 0 93 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.306 113.9-119.9 -99.7 8.2 27.1 12.6 59.5 115 139 A E T < 5 + 0 0 132 -3,-2.1 2,-1.2 1,-0.2 -3,-0.2 0.811 59.8 151.8 53.6 31.7 25.2 10.3 57.3 116 140 A D >< + 0 0 51 -5,-3.0 4,-1.7 1,-0.2 -1,-0.2 -0.764 17.3 176.5 -87.1 83.1 24.3 13.1 54.9 117 141 A W H > S+ 0 0 46 -2,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.933 77.4 50.8 -67.4 -37.2 24.0 10.7 51.9 118 142 A T H >> S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.934 109.0 50.9 -61.5 -52.6 22.9 13.4 49.6 119 143 A G H 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.781 105.1 57.8 -55.5 -30.3 25.8 15.6 50.7 120 144 A V H 3X S+ 0 0 2 -4,-1.7 4,-1.2 -9,-0.2 -1,-0.2 0.853 106.8 46.7 -66.8 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18.4 36.8 149 173 A N H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.884 112.9 39.9 -47.3 -56.4 24.7 19.9 37.1 150 174 A E H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.808 109.1 59.8 -68.9 -37.4 23.2 17.1 35.2 151 175 A A H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.934 107.9 49.8 -53.1 -45.8 25.4 14.4 37.0 152 176 A R H X S+ 0 0 36 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.844 108.1 50.3 -58.6 -45.9 23.8 15.7 40.3 153 177 A L H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.872 106.4 55.2 -59.1 -48.0 20.3 15.5 39.0 154 178 A V H X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.901 106.4 52.8 -48.9 -43.0 21.0 11.9 37.9 155 179 A F H X S+ 0 0 13 -4,-1.5 4,-0.8 1,-0.2 5,-0.4 0.864 110.3 47.3 -64.4 -34.1 22.1 11.1 41.5 156 180 A H H < S+ 0 0 12 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.789 106.5 55.7 -72.6 -33.9 18.8 12.6 42.9 157 181 A V H < S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 104.1 60.8 -69.3 -23.5 16.6 10.7 40.5 158 182 A X H < S- 0 0 29 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.872 74.8-172.3 -70.2 -42.3 18.4 7.6 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4,-1.9 2,-0.2 -1,-0.2 0.843 110.9 52.8 -70.1 -39.0 43.1 3.4 34.8 190 214 A L H X S+ 0 0 48 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.948 110.6 48.9 -57.2 -52.3 41.4 3.3 38.2 191 215 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.882 108.3 52.7 -59.6 -39.9 39.2 6.2 37.1 192 216 A K H X S+ 0 0 103 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.942 111.1 44.9 -64.7 -49.3 38.3 4.7 33.8 193 217 A T H X S+ 0 0 61 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.950 114.1 54.8 -57.6 -39.7 37.0 1.4 35.3 194 218 A Y H X S+ 0 0 3 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.916 108.3 44.7 -56.0 -48.3 35.2 3.6 37.9 195 219 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.888 114.8 48.9 -71.9 -37.0 33.4 5.7 35.4 196 220 A E H X S+ 0 0 82 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.907 112.9 47.9 -66.0 -46.5 32.4 2.6 33.5 197 221 A D H X S+ 0 0 59 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.939 112.0 50.2 -51.4 -53.8 31.3 0.9 36.8 198 222 A A H X S+ 0 0 2 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.880 111.1 47.3 -59.7 -42.4 29.3 3.9 37.8 199 223 A E H X S+ 0 0 27 -4,-2.2 4,-2.6 -5,-0.2 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