==== 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 11-FEB-09 3G85 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR (LACI FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM ATCC 824; . AUTHOR A.BAGARIA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 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 . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 1 0 1 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 4 0 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 65 A K 0 0 158 0, 0.0 34,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 143.0 -13.3 55.8 40.5 2 66 A P - 0 0 47 0, 0.0 34,-2.4 0, 0.0 2,-0.5 -0.435 360.0-134.1 -72.0 153.3 -12.8 52.0 39.8 3 67 A T E -a 36 0A 29 32,-0.2 57,-1.9 -2,-0.1 58,-1.0 -0.941 13.2-162.3-116.1 131.3 -10.4 50.1 42.1 4 68 A I E -ab 37 61A 1 32,-2.9 34,-2.1 -2,-0.5 2,-0.4 -0.926 14.3-149.2-105.5 127.9 -7.7 47.7 41.2 5 69 A A E -ab 38 62A 0 56,-2.5 58,-2.9 -2,-0.5 2,-0.8 -0.818 5.3-154.0-100.1 132.9 -6.4 45.4 43.9 6 70 A L E -ab 39 63A 1 32,-2.8 34,-2.9 -2,-0.4 2,-0.5 -0.923 16.1-150.2 -98.9 108.1 -2.9 44.1 44.1 7 71 A Y E -ab 40 64A 1 56,-2.7 58,-2.4 -2,-0.8 2,-0.6 -0.752 12.0-162.5 -81.5 124.6 -3.0 40.8 46.0 8 72 A W E -a 41 0A 18 32,-2.1 34,-2.1 -2,-0.5 56,-0.1 -0.898 8.5-142.8-119.8 99.1 0.3 40.4 47.8 9 73 A S E > -a 42 0A 0 -2,-0.6 3,-1.5 32,-0.2 34,-0.2 -0.283 15.8-128.3 -60.6 141.0 1.2 36.9 49.1 10 74 A S T 3 S+ 0 0 73 32,-1.7 -1,-0.1 1,-0.2 4,-0.1 0.675 104.0 68.1 -65.6 -17.3 3.0 36.6 52.4 11 75 A D T 3 S+ 0 0 44 55,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.715 80.1 98.3 -76.0 -15.4 5.7 34.3 50.9 12 76 A I S < S- 0 0 18 -3,-1.5 2,-0.2 1,-0.1 5,-0.1 -0.498 91.9-102.0 -74.0 137.2 7.0 37.2 48.7 13 77 A S > - 0 0 26 -2,-0.2 3,-1.6 1,-0.2 4,-0.4 -0.421 32.8-138.0 -52.6 120.3 10.1 39.1 49.9 14 78 A V G > S+ 0 0 102 1,-0.3 3,-1.4 -2,-0.2 4,-0.3 0.782 95.7 67.0 -62.6 -27.8 8.5 42.2 51.4 15 79 A N G > S+ 0 0 101 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.762 87.0 68.2 -65.0 -23.9 11.1 44.5 49.9 16 80 A I G X> S+ 0 0 18 -3,-1.6 3,-1.4 1,-0.2 4,-1.1 0.776 80.8 78.8 -65.8 -21.4 10.0 43.8 46.4 17 81 A I H <> S+ 0 0 44 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.833 79.7 68.5 -62.9 -26.5 6.7 45.6 47.1 18 82 A S H <> S+ 0 0 48 -3,-1.1 4,-2.8 -4,-0.3 -1,-0.3 0.849 98.4 49.6 -60.2 -36.8 8.5 49.0 46.6 19 83 A R H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.3 -1,-0.2 0.848 110.7 49.7 -70.9 -37.7 9.0 48.4 42.8 20 84 A F H X S+ 0 0 7 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.942 114.0 44.9 -63.5 -49.9 5.4 47.4 42.4 21 85 A L H X S+ 0 0 64 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.936 114.0 50.1 -59.1 -46.9 4.2 50.5 44.2 22 86 A R H X S+ 0 0 121 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.940 113.2 46.0 -58.4 -46.7 6.7 52.7 42.3 23 87 A G H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.889 116.1 45.5 -63.5 -41.1 5.5 51.2 39.0 24 88 A L H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.934 112.1 49.6 -68.3 -49.8 1.9 51.6 39.9 25 89 A Q H X S+ 0 0 114 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.914 114.4 48.4 -50.7 -43.7 2.2 55.2 41.3 26 90 A S H X S+ 0 0 59 -4,-2.1 4,-1.1 -5,-0.3 -2,-0.2 0.881 111.2 47.1 -70.5 -42.2 4.1 56.1 38.0 27 91 A K H X S+ 0 0 37 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.904 114.0 47.6 -63.9 -46.8 1.6 54.5 35.6 28 92 A L H ><>S+ 0 0 10 -4,-2.6 5,-3.4 1,-0.2 3,-0.9 0.884 107.4 55.8 -65.4 -39.0 -1.4 56.2 37.4 29 93 A A H ><5S+ 0 0 50 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.814 106.6 51.7 -60.0 -33.7 0.3 59.6 37.5 30 94 A K H 3<5S+ 0 0 144 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.627 112.7 45.6 -77.7 -14.6 0.7 59.4 33.7 31 95 A Q T X<5S- 0 0 47 -3,-0.9 3,-0.6 -4,-0.6 -1,-0.2 0.067 118.1-107.5-114.9 18.9 -3.0 58.6 33.3 32 96 A N T < 5 - 0 0 138 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.853 64.3 -71.8 51.7 42.2 -4.3 61.3 35.7 33 97 A Y T 3 - 0 0 148 -2,-0.3 3,-2.3 -34,-0.2 4,-0.1 -0.485 54.1 -86.3 -76.6 140.1 -1.4 34.7 53.7 44 108 A T T 3 S+ 0 0 38 1,-0.3 -1,-0.1 -2,-0.2 23,-0.1 -0.125 115.4 12.7 -41.1 134.6 0.2 32.2 51.3 45 109 A D T 3 S+ 0 0 70 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.514 104.1 97.6 71.7 7.6 -2.5 29.8 50.0 46 110 A C X + 0 0 30 -3,-2.3 3,-1.5 1,-0.1 4,-0.3 0.260 39.5 107.3-111.0 16.2 -5.3 31.9 51.2 47 111 A L G > S+ 0 0 1 1,-0.3 3,-2.5 2,-0.2 6,-0.2 0.928 74.2 64.0 -60.2 -41.4 -6.2 33.9 48.0 48 112 A H G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.715 97.9 55.6 -53.7 -24.9 -9.4 31.8 47.7 49 113 A L G < S+ 0 0 113 -3,-1.5 2,-0.4 5,-0.0 -1,-0.3 0.471 80.0 115.9 -85.4 -7.0 -10.7 33.2 51.0 50 114 A E X - 0 0 56 -3,-2.5 3,-1.1 -4,-0.3 4,-0.0 -0.548 54.2-156.5 -75.0 125.3 -10.4 36.9 49.8 51 115 A K G > S+ 0 0 143 -2,-0.4 3,-2.0 1,-0.2 6,-0.7 0.779 85.8 72.9 -71.8 -27.8 -13.7 38.7 49.6 52 116 A G G 3 S+ 0 0 9 1,-0.3 7,-2.6 6,-0.2 -1,-0.2 0.521 102.2 44.8 -65.4 -8.0 -12.5 41.3 47.1 53 117 A I G < S+ 0 0 2 -3,-1.1 28,-0.3 5,-0.2 -1,-0.3 0.244 96.5 104.9-112.6 8.0 -12.4 38.5 44.4 54 118 A S S <> S- 0 0 29 -3,-2.0 4,-0.7 26,-0.1 -3,-0.0 -0.400 85.0-108.0 -85.2 163.9 -15.9 37.0 45.4 55 119 A K T 4 S+ 0 0 158 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.845 116.1 40.3 -48.3 -38.2 -19.2 37.4 43.6 56 120 A E T 4 S+ 0 0 137 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.793 123.4 25.5 -95.3 -34.4 -20.4 39.7 46.3 57 121 A N T 4 S+ 0 0 92 -6,-0.7 -1,-0.2 2,-0.0 -2,-0.1 0.057 83.0 158.5-121.2 26.1 -17.6 42.1 47.4 58 122 A S < - 0 0 47 -4,-0.7 -5,-0.2 -3,-0.2 -6,-0.2 -0.141 37.2-133.1 -72.6 143.4 -15.4 42.3 44.3 59 123 A F - 0 0 51 -7,-2.6 -55,-0.1 1,-0.1 3,-0.1 -0.210 36.4-104.7 -65.8 173.5 -12.9 45.0 43.3 60 124 A D S S- 0 0 78 -57,-1.9 2,-0.3 1,-0.3 -56,-0.2 0.737 96.7 -13.2 -76.1 -23.9 -13.2 46.2 39.7 61 125 A A E -b 4 0A 0 -58,-1.0 -56,-2.5 21,-0.2 2,-0.3 -0.956 64.9-148.1-166.7 160.9 -10.0 44.2 38.8 62 126 A A E -bc 5 84A 0 21,-2.3 23,-2.6 -2,-0.3 2,-0.4 -0.995 4.9-158.8-139.7 150.5 -7.2 42.3 40.6 63 127 A I E -bc 6 85A 4 -58,-2.9 -56,-2.7 -2,-0.3 2,-0.7 -0.996 15.7-149.3-121.9 129.7 -3.5 41.6 39.9 64 128 A I E -bc 7 86A 0 21,-2.7 23,-2.2 -2,-0.4 3,-0.4 -0.907 4.2-161.8-104.3 114.2 -2.0 38.6 41.8 65 129 A A S S- 0 0 9 -58,-2.4 -1,-0.2 -2,-0.7 -57,-0.1 0.852 81.0 -0.5 -63.5 -41.8 1.7 39.2 42.5 66 130 A N S S- 0 0 9 -59,-0.4 -1,-0.2 -54,-0.0 -55,-0.2 -0.583 74.8-162.4-151.5 79.9 2.7 35.6 43.2 67 131 A I - 0 0 2 -3,-0.4 2,-0.1 20,-0.3 -23,-0.0 -0.433 16.2-133.7 -71.4 136.2 -0.2 33.1 43.0 68 132 A S > - 0 0 13 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.480 22.2-111.2 -79.8 162.4 0.5 29.7 44.6 69 133 A N H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 120.9 51.4 -56.8 -43.7 -0.3 26.4 43.0 70 134 A Y H > S+ 0 0 139 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.939 113.3 43.3 -58.2 -50.1 -3.1 25.8 45.5 71 135 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 111.3 55.6 -66.0 -34.3 -4.6 29.3 44.8 72 136 A L H X S+ 0 0 27 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.885 102.5 55.0 -68.1 -41.1 -4.2 28.9 41.1 73 137 A E H X S+ 0 0 121 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.911 108.9 49.5 -57.3 -42.6 -6.2 25.6 41.1 74 138 A Y H X S+ 0 0 88 -4,-1.5 4,-1.5 1,-0.2 3,-0.3 0.909 113.4 45.4 -61.1 -46.1 -9.0 27.5 42.8 75 139 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 107.5 59.3 -63.7 -39.9 -8.8 30.3 40.2 76 140 A N H < S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.795 114.9 34.5 -58.4 -31.9 -8.6 27.7 37.3 77 141 A K H < S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.614 102.3 93.9 -99.8 -17.1 -12.0 26.2 38.3 78 142 A A < - 0 0 13 -4,-1.5 2,-0.6 -5,-0.2 -3,-0.0 -0.387 63.2-146.8 -75.9 150.8 -13.7 29.4 39.5 79 143 A S - 0 0 118 -2,-0.1 2,-0.1 2,-0.0 -3,-0.1 -0.831 32.2-168.5-115.7 93.6 -15.9 31.6 37.3 80 144 A L - 0 0 44 -2,-0.6 -26,-0.1 -5,-0.2 4,-0.1 -0.421 28.0-134.8 -94.7 160.2 -15.1 35.1 38.7 81 145 A T S S+ 0 0 81 -28,-0.3 -1,-0.1 -2,-0.1 -27,-0.1 0.204 81.2 53.8 -98.3 10.0 -16.8 38.4 38.2 82 146 A L S S- 0 0 15 -29,-0.2 -21,-0.2 -20,-0.0 2,-0.2 -0.985 89.6 -94.8-145.7 148.4 -13.7 40.7 37.7 83 147 A P - 0 0 20 0, 0.0 -21,-2.3 0, 0.0 2,-0.4 -0.495 40.6-163.1 -66.1 136.6 -10.7 40.7 35.4 84 148 A I E -c 62 0A 3 -23,-0.2 11,-0.5 -2,-0.2 2,-0.5 -0.990 7.1-160.1-125.6 126.7 -7.6 39.1 37.0 85 149 A I E -cd 63 95A 0 -23,-2.6 -21,-2.7 -2,-0.4 2,-0.4 -0.923 10.5-147.6-104.8 126.0 -4.1 39.5 35.9 86 150 A L E -cd 64 96A 0 9,-2.5 11,-1.9 -2,-0.5 2,-0.6 -0.786 13.7-136.3 -89.2 134.8 -1.5 36.9 36.9 87 151 A F E S- d 0 97A 12 -23,-2.2 -20,-0.3 -2,-0.4 11,-0.2 -0.834 80.0 -13.2 -96.1 120.4 2.0 38.3 37.4 88 152 A N S S+ 0 0 17 9,-3.2 43,-0.3 -2,-0.6 2,-0.3 0.884 106.5 109.7 54.7 47.7 4.7 36.0 36.0 89 153 A R - 0 0 22 -3,-0.4 -3,-0.2 8,-0.1 -1,-0.1 -0.886 62.8-136.0-143.4 119.6 2.5 32.9 35.4 90 154 A L + 0 0 134 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.445 31.0 175.4 -69.4 143.6 1.5 31.8 32.0 91 155 A S - 0 0 15 3,-0.2 5,-0.1 -2,-0.1 -2,-0.0 -0.993 36.9-154.0-147.0 144.3 -2.2 30.8 31.8 92 156 A N S S+ 0 0 153 -2,-0.3 3,-0.1 3,-0.1 -2,-0.0 0.283 103.3 39.4-100.4 11.3 -4.4 29.7 29.0 93 157 A K S S+ 0 0 73 1,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.696 112.9 45.8-117.3 -48.0 -7.4 31.1 31.0 94 158 A Y S S- 0 0 20 162,-0.1 -1,-0.3 163,-0.1 -3,-0.2 -0.780 82.8-111.4-101.2 147.0 -6.2 34.4 32.6 95 159 A S E -d 85 0A 0 -11,-0.5 -9,-2.5 -2,-0.3 2,-0.3 -0.344 42.5-171.3 -67.2 154.6 -4.3 37.3 31.1 96 160 A S E -de 86 259A 0 162,-2.5 164,-2.4 -11,-0.2 2,-0.5 -0.990 31.2-145.9-152.0 153.4 -0.8 37.7 32.4 97 161 A V E +de 87 260A 0 -11,-1.9 -9,-3.2 -2,-0.3 2,-0.2 -0.990 41.1 163.2-122.7 117.2 2.3 39.9 32.5 98 162 A N E - e 0 261A 9 162,-3.0 164,-3.1 -2,-0.5 2,-0.3 -0.735 33.6-132.3-131.4 168.9 5.4 37.8 32.6 99 163 A V E - e 0 262A 2 -2,-0.2 2,-1.6 162,-0.2 164,-0.2 -0.915 37.5-103.4-121.6 154.1 9.1 37.9 32.1 100 164 A D > + 0 0 36 162,-2.0 4,-1.5 -2,-0.3 164,-0.3 -0.607 44.9 179.4 -80.4 91.2 11.1 35.3 30.0 101 165 A N H > S+ 0 0 15 -2,-1.6 4,-1.7 1,-0.2 3,-0.4 0.904 73.7 50.8 -63.4 -51.5 12.6 33.5 33.1 102 166 A Y H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 109.8 52.0 -53.2 -48.6 14.6 30.8 31.3 103 167 A K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.799 103.6 58.4 -62.3 -30.6 16.2 33.5 29.1 104 168 A X H X S+ 0 0 1 -4,-1.5 4,-1.6 -3,-0.4 -1,-0.2 0.946 108.9 43.7 -60.4 -49.6 17.2 35.5 32.1 105 169 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.914 112.2 55.5 -57.9 -44.7 19.2 32.5 33.5 106 170 A E H X S+ 0 0 63 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.917 104.3 51.7 -55.0 -47.4 20.6 32.0 30.1 107 171 A K H X S+ 0 0 47 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.865 108.7 51.5 -58.4 -39.2 21.9 35.6 29.8 108 172 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 3,-0.2 0.953 113.1 45.8 -63.0 -46.6 23.7 35.1 33.2 109 173 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.916 110.0 52.7 -59.3 -47.4 25.3 31.9 31.9 110 174 A L H X S+ 0 0 56 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.783 103.2 58.2 -63.6 -28.0 26.3 33.4 28.5 111 175 A L H X S+ 0 0 11 -4,-1.5 4,-0.9 -3,-0.2 -1,-0.2 0.926 111.6 41.6 -64.6 -44.4 28.0 36.3 30.3 112 176 A F H <>S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.2 3,-0.4 0.902 114.7 51.6 -65.4 -43.1 30.2 33.7 32.0 113 177 A A H ><5S+ 0 0 21 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.878 106.7 54.1 -59.3 -41.4 30.6 31.7 28.8 114 178 A K H 3<5S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 109.0 48.2 -66.0 -28.5 31.7 34.9 26.9 115 179 A K T 3<5S- 0 0 111 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.351 114.2-121.8 -92.5 2.1 34.4 35.4 29.6 116 180 A R T < 5 + 0 0 188 -3,-1.2 -3,-0.2 -4,-0.2 2,-0.1 0.765 46.0 171.4 61.3 33.8 35.4 31.7 29.2 117 181 A Y < - 0 0 31 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.475 24.6-152.5 -65.0 144.4 34.9 30.7 32.8 118 182 A K + 0 0 131 1,-0.2 31,-2.3 -2,-0.1 2,-0.3 0.629 69.7 11.1-103.0 -15.9 35.3 26.9 33.2 119 183 A S B -f 149 0B 38 29,-0.3 62,-0.5 -7,-0.1 61,-0.4 -0.979 61.8-164.3-152.3 167.7 33.0 26.4 36.2 120 184 A A - 0 0 0 29,-2.2 31,-0.3 -2,-0.3 2,-0.3 -0.981 10.6-144.1-147.6 156.3 30.5 28.2 38.4 121 185 A A E -g 182 0C 2 60,-2.4 62,-2.4 -2,-0.3 2,-0.4 -0.777 15.2-151.3-113.5 164.6 28.7 28.0 41.7 122 186 A A E -gh 183 155C 0 32,-2.5 34,-2.8 -2,-0.3 2,-0.6 -0.996 7.4-159.3-140.1 129.6 25.1 29.1 42.4 123 187 A I E -gh 184 156C 0 60,-2.6 62,-2.0 -2,-0.4 2,-0.5 -0.971 25.9-174.0-109.3 118.6 23.5 30.3 45.6 124 188 A L E - h 0 157C 26 32,-2.3 34,-1.6 -2,-0.6 2,-0.2 -0.957 24.2-150.7-125.6 122.6 19.8 29.8 45.4 125 189 A T - 0 0 12 -2,-0.5 34,-0.2 32,-0.2 3,-0.1 -0.598 53.1 -81.3 -77.1 147.7 16.9 30.8 47.6 126 190 A E - 0 0 153 32,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.185 50.2-104.3 -57.6 140.5 14.1 28.2 47.3 127 191 A S - 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0 0 3 -5,-2.7 2,-0.3 -6,-0.2 -29,-0.3 -0.931 46.9-139.8-102.8 114.8 30.8 25.5 32.3 149 213 A K B -f 119 0B 138 -31,-2.3 -29,-2.2 -2,-0.6 2,-0.4 -0.568 18.1-173.7 -74.2 131.5 30.8 22.9 35.0 150 214 A I - 0 0 16 -2,-0.3 -29,-0.1 -31,-0.2 2,-0.1 -0.808 14.1-153.5-123.5 95.4 28.4 23.2 37.8 151 215 A S > - 0 0 19 -2,-0.4 3,-2.4 -31,-0.3 -32,-0.0 -0.366 21.6-123.2 -61.2 138.3 29.1 20.6 40.4 152 216 A E G > S+ 0 0 173 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.773 111.9 57.4 -59.3 -30.0 25.9 19.7 42.4 153 217 A N G 3 S+ 0 0 101 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.532 94.8 67.4 -81.2 -4.7 27.7 20.5 45.7 154 218 A H G < S+ 0 0 21 -3,-2.4 -32,-2.5 -34,-0.1 2,-0.6 0.190 79.3 89.6 -98.2 15.3 28.4 24.0 44.3 155 219 A I E < -h 122 0C 66 -3,-1.1 2,-0.5 -34,-0.2 -32,-0.2 -0.978 65.9-169.8-104.1 118.7 24.7 24.8 44.5 156 220 A I E -h 123 0C 19 -34,-2.8 -32,-2.3 -2,-0.6 2,-0.1 -0.964 17.4-132.0-120.0 123.3 24.1 26.2 47.9 157 221 A A E +h 124 0C 79 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.429 33.0 175.7 -67.4 146.4 20.7 26.9 49.4 158 222 A A - 0 0 15 -34,-1.6 -32,-0.5 -2,-0.1 2,-0.2 -0.995 34.3-108.0-148.5 153.0 20.2 30.3 51.1 159 223 A E - 0 0 135 -2,-0.3 2,-2.0 5,-0.2 9,-0.1 -0.578 43.5-109.8 -73.1 145.7 17.5 32.4 52.7 160 224 A N S S+ 0 0 44 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.525 84.6 84.5 -82.5 77.8 16.4 35.3 50.5 161 225 A S S > S- 0 0 39 -2,-2.0 4,-1.9 1,-0.1 31,-0.1 -0.952 90.6-100.7-160.3 167.9 17.9 38.2 52.5 162 226 A I H > S+ 0 0 85 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.929 126.3 50.6 -62.0 -45.0 21.2 40.0 52.9 163 227 A H H > S+ 0 0 119 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 107.4 54.7 -58.5 -39.2 21.9 37.9 56.1 164 228 A G H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 107.8 49.1 -59.0 -40.8 21.1 34.8 54.0 165 229 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 23,-0.2 -2,-0.2 0.863 109.8 52.0 -65.0 -39.0 23.7 35.8 51.5 166 230 A V H X S+ 0 0 22 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.970 111.2 46.7 -61.6 -51.4 26.2 36.4 54.3 167 231 A D H X S+ 0 0 57 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.894 113.3 49.5 -56.7 -41.6 25.5 32.8 55.7 168 232 A A H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.882 108.3 51.9 -67.4 -40.8 25.8 31.3 52.2 169 233 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.850 104.4 57.3 -66.2 -35.3 29.1 33.0 51.4 170 234 A K H < S+ 0 0 94 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.892 111.8 42.3 -63.0 -38.0 30.6 31.7 54.7 171 235 A K H >X S+ 0 0 120 -4,-1.4 3,-1.6 2,-0.2 4,-0.7 0.931 110.8 55.2 -70.3 -48.3 29.7 28.2 53.5 172 236 A L H >< S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.3 -2,-0.2 0.894 104.9 55.7 -47.6 -42.7 30.9 28.9 50.0 173 237 A X T 3< S+ 0 0 41 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.688 99.4 60.1 -68.4 -20.5 34.2 29.9 51.6 174 238 A K T <4 S+ 0 0 169 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.635 79.4 110.9 -80.1 -16.1 34.5 26.5 53.3 175 239 A L S << S- 0 0 42 -3,-1.3 3,-0.3 -4,-0.7 -21,-0.0 -0.297 70.9-135.9 -60.4 138.4 34.6 24.7 50.0 176 240 A K S S+ 0 0 192 1,-0.3 2,-0.5 0, 0.0 -1,-0.1 0.915 98.8 24.0 -60.1 -45.4 37.9 23.1 49.1 177 241 A N S S- 0 0 129 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.956 76.1-169.2-124.9 107.0 37.6 24.5 45.6 178 242 A T - 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