==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 17-FEB-96 1LBH . COMPND 2 MOLECULE: INTACT LACTOSE OPERON REPRESSOR WITH GRATUITOUS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.LEWIS,G.CHANG,N.C.HORTON,M.A.KERCHER,H.C.PACE,P.LU . 1184 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 167 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 1.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 0.2 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 . 104 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 414 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.5 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 1 2 4 4 10 4 3 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 2 10 13 2 3 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 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 2 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 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 62 A L 0 0 82 0, 0.0 31,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.2 60.8 2.4 -4.0 2 63 A L E -a 32 0A 30 29,-0.2 58,-2.5 55,-0.1 57,-2.2 -0.994 360.0-157.1-126.6 123.0 59.0 4.8 -6.4 3 64 A I E -ab 33 60A 0 29,-3.4 31,-2.2 -2,-0.4 2,-0.4 -0.816 5.7-161.5-102.1 135.1 55.3 4.3 -7.2 4 65 A G E -ab 34 61A 0 56,-2.3 58,-2.5 -2,-0.4 2,-0.4 -0.944 2.3-163.3-117.3 143.6 53.8 5.7 -10.4 5 66 A V E -ab 35 62A 1 29,-1.6 31,-2.8 -2,-0.4 2,-0.6 -0.995 12.6-158.9-131.0 125.9 50.1 6.2 -11.1 6 67 A A E -ab 36 63A 0 56,-2.3 58,-2.0 -2,-0.4 2,-0.4 -0.921 36.1-171.9 -96.3 127.5 48.2 6.8 -14.4 7 68 A T E -ab 37 64A 0 29,-1.6 31,-3.2 -2,-0.6 3,-0.2 -0.959 28.4-121.0-134.5 152.4 45.0 8.5 -13.3 8 69 A S S S- 0 0 14 56,-0.9 2,-0.2 -2,-0.4 30,-0.1 0.006 74.3 -45.9 -67.9-178.0 41.6 9.6 -14.5 9 70 A S > - 0 0 42 1,-0.2 3,-0.9 28,-0.1 7,-0.2 -0.365 51.3-140.7 -59.2 119.4 40.8 13.3 -14.1 10 71 A L T 3 S+ 0 0 0 1,-0.3 3,-0.4 -2,-0.2 -1,-0.2 0.408 91.9 78.0 -61.3 0.6 41.8 14.3 -10.6 11 72 A A T 3 S+ 0 0 24 1,-0.2 -1,-0.3 302,-0.1 -2,-0.1 0.077 70.7 81.7-100.5 25.0 38.6 16.3 -10.5 12 73 A L S < S- 0 0 41 -3,-0.9 2,-2.3 1,-0.1 -1,-0.2 0.389 82.7-134.6-116.0 12.0 36.1 13.6 -9.9 13 74 A H S > S+ 0 0 15 -3,-0.4 4,-3.5 1,-0.2 5,-0.2 -0.433 98.8 59.8 74.7 -71.6 36.2 12.9 -6.1 14 75 A A H > S+ 0 0 13 -2,-2.3 4,-1.9 1,-0.2 5,-0.2 0.980 111.2 39.9 -52.2 -60.7 36.4 9.1 -6.4 15 76 A P H > S+ 0 0 15 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.855 117.3 50.1 -57.3 -38.3 39.7 9.2 -8.4 16 77 A S H > S+ 0 0 0 -7,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 112.8 46.9 -64.7 -43.4 41.1 12.0 -6.3 17 78 A Q H X S+ 0 0 35 -4,-3.5 4,-1.1 1,-0.2 -1,-0.2 0.726 111.6 50.5 -71.8 -25.9 40.2 10.1 -3.1 18 79 A I H X S+ 0 0 14 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.770 112.7 47.4 -79.7 -31.2 41.7 6.9 -4.5 19 80 A V H X S+ 0 0 4 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.915 109.5 53.4 -73.1 -44.5 44.9 8.8 -5.4 20 81 A A H X S+ 0 0 20 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.862 110.3 47.5 -58.6 -39.7 45.0 10.4 -2.0 21 82 A A H X S+ 0 0 16 -4,-1.1 4,-1.9 2,-0.2 5,-0.3 0.967 103.9 57.0 -66.9 -55.2 44.8 7.1 -0.2 22 83 A I H X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.807 105.7 58.7 -45.6 -28.3 47.5 5.4 -2.3 23 84 A K H >X S+ 0 0 19 -4,-1.2 4,-2.4 2,-0.2 3,-0.8 0.999 101.3 50.3 -64.7 -64.7 49.5 8.3 -1.0 24 85 A S H 3X S+ 0 0 61 -4,-1.6 4,-2.0 1,-0.3 -2,-0.2 0.859 110.0 50.6 -41.8 -49.3 49.1 7.5 2.6 25 86 A R H 3X S+ 0 0 42 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.895 108.7 49.7 -64.1 -38.5 50.1 3.9 2.2 26 87 A A H X<>S+ 0 0 0 -4,-1.6 5,-0.8 -3,-0.8 3,-0.5 0.911 108.9 57.0 -64.1 -36.2 53.3 4.7 0.3 27 88 A D H ><5S+ 0 0 69 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.921 101.6 52.9 -57.2 -50.4 54.0 7.1 3.2 28 89 A Q H 3<5S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 114.8 43.7 -57.8 -28.6 53.8 4.4 5.9 29 90 A L T <<5S- 0 0 74 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.253 115.1-108.0-103.6 11.9 56.4 2.3 3.9 30 91 A G T < 5S+ 0 0 66 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.997 72.7 132.8 57.7 70.9 58.9 5.0 3.0 31 92 A A < - 0 0 14 -5,-0.8 2,-0.2 -29,-0.0 -1,-0.2 -0.982 49.4-129.9-152.0 139.9 58.1 5.2 -0.7 32 93 A S E -a 2 0A 41 -31,-1.7 -29,-3.4 -2,-0.3 2,-0.4 -0.623 16.2-151.4 -94.8 153.7 57.5 8.1 -3.0 33 94 A V E -a 3 0A 7 -2,-0.2 2,-0.4 -31,-0.2 301,-0.2 -0.977 9.3-173.0-129.9 138.4 54.6 8.5 -5.4 34 95 A V E -a 4 0A 0 -31,-2.2 -29,-1.6 -2,-0.4 2,-0.5 -0.990 12.8-150.2-129.7 133.3 54.4 10.4 -8.6 35 96 A V E -aC 5 332A 4 297,-1.9 297,-2.0 -2,-0.4 2,-0.4 -0.953 8.3-166.5-117.1 125.4 51.1 10.9 -10.5 36 97 A S E -a 6 0A 12 -31,-2.8 -29,-1.6 -2,-0.5 2,-0.4 -0.849 22.9-140.1-102.0 130.9 50.8 11.2 -14.3 37 98 A M E -a 7 0A 16 293,-0.5 2,-0.3 -2,-0.4 -29,-0.2 -0.880 15.4-154.4 -99.5 135.8 47.2 12.5 -15.2 38 99 A V - 0 0 5 -31,-3.2 2,-1.0 -2,-0.4 8,-0.1 -0.831 18.3-123.6-114.7 147.0 45.4 11.1 -18.2 39 100 A E > - 0 0 90 -2,-0.3 2,-1.4 -31,-0.1 3,-0.7 -0.771 32.2-126.0 -89.5 101.5 42.6 12.5 -20.5 40 101 A R T 3 S+ 0 0 85 -2,-1.0 3,-0.1 1,-0.2 -1,-0.1 -0.282 83.7 98.6 -52.5 83.2 39.8 10.0 -20.2 41 102 A S T 3 S- 0 0 100 -2,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.367 81.0 -18.0-134.9 -66.5 39.7 9.6 -24.0 42 103 A G <> - 0 0 26 -3,-0.7 4,-1.8 1,-0.1 -1,-0.3 -0.875 58.8 -92.5-149.8 178.7 41.6 6.5 -25.0 43 104 A V H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.739 119.9 56.6 -61.1 -28.0 44.1 3.6 -24.6 44 105 A E H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.972 100.5 56.3 -70.0 -46.0 46.8 5.7 -26.2 45 106 A A H >> S+ 0 0 16 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.931 111.5 48.2 -46.2 -45.9 46.2 8.5 -23.6 46 107 A C H 3X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.3 -1,-0.3 0.914 104.7 54.3 -64.3 -47.6 46.9 5.7 -21.2 47 108 A K H 3X S+ 0 0 49 -4,-2.6 4,-3.3 1,-0.2 -1,-0.3 0.822 106.7 56.1 -58.8 -29.4 50.0 4.4 -22.9 48 109 A T H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 3,-0.5 0.928 118.4 47.3 -46.8 -49.0 51.3 8.5 -18.9 50 111 A V H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.1 0.987 111.1 51.7 -52.9 -62.4 52.6 5.0 -18.5 51 112 A H H 3< S+ 0 0 97 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.625 114.6 41.6 -48.3 -28.5 55.3 5.7 -21.1 52 113 A N H XX S+ 0 0 54 -4,-2.1 3,-1.0 -3,-0.5 4,-0.6 0.763 112.8 52.7 -91.7 -31.6 56.5 8.9 -19.3 53 114 A L H X<>S+ 0 0 3 -4,-2.7 5,-1.3 -3,-1.1 3,-0.5 0.803 105.2 57.1 -69.6 -28.5 56.2 7.3 -15.9 54 115 A L T 3<5S+ 0 0 42 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.413 101.3 57.1 -81.9 0.9 58.4 4.5 -17.2 55 116 A A T <45S+ 0 0 63 -3,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.585 95.8 63.1-102.1 -17.2 60.9 7.2 -18.1 56 117 A Q T <<5S- 0 0 36 -4,-0.6 -2,-0.2 -3,-0.5 -3,-0.1 0.562 109.8-124.0 -81.0 -9.0 61.0 8.3 -14.4 57 118 A R T 5 - 0 0 204 -4,-0.2 -3,-0.2 1,-0.2 -55,-0.1 0.891 44.4-179.1 62.9 39.1 62.3 4.8 -13.6 58 119 A V < - 0 0 5 -5,-1.3 -55,-0.2 1,-0.1 -1,-0.2 -0.341 25.4-138.9 -64.5 145.9 59.4 4.5 -11.2 59 120 A S S S+ 0 0 42 -57,-2.2 2,-0.3 1,-0.2 -56,-0.2 0.912 78.8 22.0 -80.9 -43.6 59.5 1.1 -9.5 60 121 A G E -b 3 0A 1 -58,-2.5 -56,-2.3 22,-0.1 2,-0.4 -0.901 68.0-148.1-123.1 156.2 55.8 0.2 -9.5 61 122 A L E -bd 4 84A 0 22,-2.1 24,-1.4 -2,-0.3 2,-0.5 -0.980 7.3-170.1-124.7 135.0 53.0 1.3 -11.8 62 123 A I E -bd 5 85A 0 -58,-2.5 -56,-2.3 -2,-0.4 2,-0.8 -0.992 7.6-161.2-123.5 120.2 49.3 1.6 -10.8 63 124 A I E +bd 6 86A 0 22,-3.2 24,-2.1 -2,-0.5 2,-1.4 -0.777 14.0 173.9-107.4 89.7 46.9 2.2 -13.7 64 125 A N E +b 7 0A 13 -58,-2.0 -56,-0.9 -2,-0.8 22,-0.1 -0.768 41.7 112.5 -94.7 87.0 43.6 3.7 -12.3 65 126 A Y E S- 0 0 3 -2,-1.4 2,-1.5 -58,-0.2 23,-0.6 -0.950 77.5-101.9-157.9 142.6 42.0 4.3 -15.6 66 127 A P E + d 0 88A 14 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.567 50.6 171.8 -69.9 81.7 39.0 2.8 -17.4 67 128 A L - 0 0 2 21,-1.6 2,-0.2 -2,-1.5 64,-0.1 -0.664 28.5-122.4 -93.9 151.7 40.6 0.4 -20.0 68 129 A D > - 0 0 62 -2,-0.3 4,-3.0 21,-0.1 5,-0.3 -0.570 34.9 -95.7 -88.7 157.6 38.7 -2.1 -22.1 69 130 A D H > S+ 0 0 77 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.807 129.1 34.1 -37.4 -48.4 39.4 -5.9 -22.1 70 131 A Q H > S+ 0 0 141 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.833 116.0 55.8 -82.0 -32.8 41.6 -5.5 -25.2 71 132 A D H > S+ 0 0 52 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.889 99.3 60.3 -64.9 -42.7 43.0 -2.0 -24.2 72 133 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.945 104.7 50.3 -48.1 -53.0 44.3 -3.3 -20.9 73 134 A I H X S+ 0 0 68 -4,-0.8 4,-2.3 -5,-0.3 5,-0.3 0.932 107.1 52.5 -54.5 -49.9 46.4 -5.7 -22.7 74 135 A A H X S+ 0 0 42 -4,-1.6 4,-1.5 1,-0.3 -1,-0.2 0.924 116.0 43.1 -53.6 -42.5 47.9 -3.0 -25.0 75 136 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.3 0.822 106.6 57.3 -76.7 -32.2 48.7 -1.1 -21.9 76 137 A E H < S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.940 110.8 45.4 -63.1 -42.4 50.1 -3.9 -19.9 77 138 A A H < S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 107.9 59.9 -64.0 -36.7 52.6 -4.5 -22.6 78 139 A A H < S+ 0 0 7 -4,-1.5 2,-2.5 -5,-0.3 -1,-0.2 0.923 93.0 65.8 -58.1 -48.2 53.1 -0.8 -22.6 79 140 A C S >< S- 0 0 6 -4,-2.4 3,-1.0 2,-0.0 -1,-0.2 -0.448 92.0-158.3 -78.5 72.6 54.3 -0.9 -18.9 80 141 A T T 3 - 0 0 73 -2,-2.5 -3,-0.1 1,-0.2 -2,-0.1 -0.197 54.8 -17.7 -56.1 140.7 57.4 -2.9 -19.9 81 142 A N T 3 S+ 0 0 166 -4,-0.1 -1,-0.2 1,-0.1 -4,-0.1 0.550 112.0 98.8 31.3 26.3 59.3 -5.1 -17.4 82 143 A V S < S- 0 0 29 -3,-1.0 2,-0.2 -22,-0.0 -22,-0.1 -0.967 80.7-108.5-132.1 140.5 57.7 -3.4 -14.4 83 144 A P - 0 0 29 0, 0.0 -22,-2.1 0, 0.0 2,-0.3 -0.538 37.5-171.2 -71.9 139.3 54.8 -4.7 -12.4 84 145 A A E -d 61 0A 6 -2,-0.2 2,-0.4 -24,-0.2 12,-0.2 -0.926 14.4-150.4-130.3 152.2 51.6 -2.8 -12.9 85 146 A L E -d 62 0A 0 -24,-1.4 -22,-3.2 -2,-0.3 2,-0.5 -0.999 11.5-148.9-125.8 124.2 48.3 -3.0 -11.1 86 147 A F E +de 63 97A 0 10,-2.5 12,-1.6 -2,-0.4 3,-0.2 -0.847 17.5 176.4 -96.8 127.8 45.1 -2.2 -13.0 87 148 A L E S+ 0 0 15 -24,-2.1 2,-0.4 -2,-0.5 13,-0.2 0.633 72.4 45.1-104.7 -23.3 42.3 -0.7 -10.9 88 149 A D E S+d 66 0A 19 -25,-0.8 -21,-1.6 -23,-0.6 2,-0.2 -0.704 92.9 84.3-125.1 81.1 39.5 0.1 -13.5 89 150 A V S S- 0 0 3 -2,-0.4 2,-0.4 -3,-0.2 -21,-0.1 -0.637 80.6 -72.4-149.8-157.5 39.3 -2.9 -15.7 90 151 A S > - 0 0 2 -2,-0.2 3,-1.6 1,-0.1 5,-0.3 -0.945 16.2-135.4-122.3 140.9 37.5 -6.3 -15.4 91 152 A D T 3 S+ 0 0 46 -2,-0.4 164,-0.2 1,-0.3 -1,-0.1 0.810 107.6 75.2 -54.0 -21.9 38.0 -9.3 -13.2 92 153 A Q T 3 S+ 0 0 121 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.119 83.3 90.2 -76.0 18.0 37.4 -10.9 -16.7 93 154 A T S < S- 0 0 5 -3,-1.6 2,-1.5 2,-0.1 4,-0.1 -0.980 77.5-133.7-132.3 129.5 40.9 -9.8 -17.7 94 155 A P S S+ 0 0 112 0, 0.0 2,-0.2 0, 0.0 160,-0.1 0.014 74.1 104.6 -60.3 26.9 44.2 -11.7 -17.4 95 156 A I S S- 0 0 2 -2,-1.5 2,-0.7 -5,-0.3 -2,-0.1 -0.690 88.6 -92.0-111.3 161.3 46.0 -8.7 -15.9 96 157 A N + 0 0 32 -2,-0.2 -10,-2.5 -12,-0.2 2,-0.3 -0.692 65.3 164.2 -76.2 115.3 47.0 -8.1 -12.4 97 158 A S B -e 86 0A 0 157,-1.5 2,-0.4 -2,-0.7 159,-0.2 -0.935 35.3-165.5-137.0 156.0 44.0 -6.2 -11.1 98 159 A I + 0 0 0 -12,-1.6 2,-0.3 -2,-0.3 159,-0.2 -0.982 30.9 157.4-137.1 119.4 42.4 -5.2 -7.8 99 160 A I E -k 257 0B 10 157,-1.3 159,-3.0 -2,-0.4 2,-0.3 -0.911 40.7-101.6-142.2 171.1 38.8 -4.0 -8.1 100 161 A F E -k 258 0B 17 -2,-0.3 2,-0.5 -13,-0.2 3,-0.1 -0.752 49.2 -94.6 -93.8 146.2 35.5 -3.6 -6.1 101 162 A S > + 0 0 6 157,-2.6 4,-1.7 -2,-0.3 159,-0.1 -0.434 37.6 178.7 -67.8 114.2 32.7 -6.0 -6.5 102 163 A H H > S+ 0 0 16 -2,-0.5 4,-2.2 2,-0.2 5,-0.4 0.782 80.4 64.0 -81.0 -29.2 30.4 -4.8 -9.0 103 164 A E H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.883 111.6 34.3 -66.4 -37.0 28.3 -7.9 -8.5 104 165 A D H > S+ 0 0 58 2,-0.2 4,-3.3 3,-0.2 5,-0.4 0.951 113.0 59.1 -80.1 -52.2 27.5 -7.0 -4.9 105 166 A G H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.3 -2,-0.2 0.845 115.8 35.6 -43.7 -44.2 27.3 -3.3 -5.4 106 167 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.876 115.0 58.1 -80.3 -35.1 24.6 -3.7 -7.9 107 168 A R H X S+ 0 0 71 -4,-1.1 4,-2.7 -5,-0.4 -2,-0.2 0.933 110.7 41.2 -57.8 -53.0 23.1 -6.6 -6.1 108 169 A L H X S+ 0 0 38 -4,-3.3 4,-3.8 2,-0.2 5,-0.4 0.961 108.9 58.8 -61.7 -53.9 22.6 -4.7 -2.9 109 170 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.4 -1,-0.2 0.878 115.4 36.4 -44.4 -46.6 21.4 -1.5 -4.6 110 171 A V H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.990 115.4 54.7 -70.0 -57.9 18.5 -3.4 -6.2 111 172 A E H X S+ 0 0 94 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.832 111.4 45.4 -40.5 -49.0 18.0 -5.6 -3.2 112 173 A H H X S+ 0 0 27 -4,-3.8 4,-0.6 2,-0.2 -1,-0.3 0.945 114.0 49.3 -64.2 -48.3 17.6 -2.6 -1.0 113 174 A L H ><>S+ 0 0 0 -4,-1.9 5,-1.3 -5,-0.4 3,-1.1 0.920 113.8 43.5 -58.3 -48.1 15.3 -0.9 -3.4 114 175 A V H ><5S+ 0 0 30 -4,-3.2 3,-1.9 1,-0.2 -1,-0.2 0.851 103.2 69.2 -68.1 -30.2 13.0 -3.8 -3.9 115 176 A A H 3<5S+ 0 0 80 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.658 96.9 52.2 -58.5 -25.3 13.0 -4.5 -0.2 116 177 A L T <<5S- 0 0 44 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.214 124.1 -97.7 -97.6 9.7 11.0 -1.3 0.5 117 178 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.586 72.4 147.8 87.6 9.1 8.2 -2.1 -2.0 118 179 A H < + 0 0 0 -5,-1.3 -1,-0.3 1,-0.2 3,-0.1 -0.638 10.9 161.5 -79.7 138.2 9.5 -0.0 -5.0 119 180 A Q + 0 0 104 -2,-0.3 2,-1.2 1,-0.2 -1,-0.2 0.606 60.0 67.4-121.9 -48.4 8.6 -1.5 -8.3 120 181 A Q S S+ 0 0 96 31,-0.1 59,-1.6 29,-0.1 60,-0.8 -0.647 70.1 173.1 -80.8 101.8 9.0 1.3 -10.8 121 182 A I E -l 180 0C 0 -2,-1.2 31,-2.1 29,-0.2 32,-0.6 -0.880 19.8-153.8-114.4 139.4 12.8 1.9 -10.8 122 183 A A E -lm 181 153C 1 58,-1.8 60,-2.8 -2,-0.4 2,-0.4 -0.876 9.2-145.4-108.3 146.1 14.8 4.3 -13.0 123 184 A L E -lm 182 154C 2 30,-3.4 32,-1.9 -2,-0.3 2,-0.5 -0.913 11.2-171.8-115.9 135.9 18.5 3.8 -13.8 124 185 A L E -lm 183 155C 4 58,-2.6 60,-1.8 -2,-0.4 32,-0.2 -0.920 19.5-167.7-128.2 100.9 21.0 6.6 -14.3 125 186 A A E - m 0 156C 3 30,-2.1 32,-3.2 -2,-0.5 34,-0.2 -0.305 17.6-116.8 -86.2 168.8 24.3 5.2 -15.6 126 187 A G - 0 0 0 30,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.480 65.5 -46.4 -95.7 175.9 27.7 6.7 -16.0 127 188 A P > - 0 0 7 0, 0.0 3,-1.3 0, 0.0 7,-0.3 -0.155 54.6-134.7 -42.6 118.8 29.6 7.2 -19.3 128 189 A L T 3 S+ 0 0 53 1,-0.3 30,-0.1 29,-0.2 6,-0.1 0.418 98.9 75.5 -65.8 9.8 29.1 3.8 -21.0 129 190 A S T 3 S+ 0 0 76 4,-0.0 -1,-0.3 5,-0.0 3,-0.0 0.923 73.4 88.3 -79.9 -51.4 32.8 4.1 -21.9 130 191 A S S <> S- 0 0 3 -3,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.251 74.6-143.1 -54.8 126.4 33.9 3.1 -18.3 131 192 A V H > S+ 0 0 9 1,-0.2 4,-2.1 -43,-0.2 -1,-0.1 0.986 106.8 52.1 -48.7 -55.1 34.2 -0.6 -18.0 132 193 A S H > S+ 0 0 17 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.836 104.6 52.8 -47.2 -51.6 32.8 0.1 -14.5 133 194 A A H > S+ 0 0 1 1,-0.3 4,-2.5 -6,-0.3 -1,-0.2 0.975 112.8 44.8 -50.4 -58.8 29.9 2.1 -15.8 134 195 A R H X S+ 0 0 101 -4,-2.5 4,-0.9 -7,-0.3 -1,-0.3 0.778 112.2 54.2 -56.6 -31.8 28.9 -0.7 -18.0 135 196 A L H >X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 3,-0.6 0.936 107.8 47.4 -69.9 -47.0 29.5 -3.2 -15.2 136 197 A R H 3X S+ 0 0 28 -4,-3.2 4,-2.0 1,-0.3 5,-0.2 0.896 110.7 53.7 -64.1 -33.9 27.2 -1.4 -12.8 137 198 A L H 3X S+ 0 0 22 -4,-2.5 4,-0.9 -5,-0.3 -1,-0.3 0.742 105.9 53.3 -72.1 -23.9 24.7 -1.3 -15.6 138 199 A A H <>S+ 0 0 0 -4,-1.9 5,-3.0 -5,-0.3 3,-1.6 0.977 111.6 51.4 -62.2 -41.6 16.0 -6.1 -11.1 145 206 A T H ><5S+ 0 0 54 -4,-1.5 3,-2.0 -5,-0.3 -2,-0.2 0.845 102.5 55.0 -59.8 -43.0 15.3 -9.0 -13.4 146 207 A R H 3<5S+ 0 0 147 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.546 108.2 52.6 -68.8 -9.3 15.7 -11.7 -10.7 147 208 A N T <<5S- 0 0 64 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 -0.004 122.3-111.4-113.0 26.9 13.0 -9.7 -8.9 148 209 A Q T < 5S+ 0 0 165 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.646 78.9 133.2 51.7 17.9 10.8 -9.9 -12.0 149 210 A I < - 0 0 19 -5,-3.0 -2,-0.3 -6,-0.2 -1,-0.2 -0.798 38.9-169.8-101.8 137.0 11.5 -6.1 -12.3 150 211 A Q - 0 0 115 -2,-0.4 -29,-0.2 -31,-0.1 -9,-0.1 -0.994 34.9-104.5-124.2 127.6 12.4 -4.3 -15.5 151 212 A P - 0 0 29 0, 0.0 -29,-0.2 0, 0.0 3,-0.1 -0.235 15.2-149.1 -55.5 135.7 13.6 -0.6 -15.3 152 213 A I S S+ 0 0 67 -31,-2.1 2,-0.3 1,-0.2 -30,-0.2 0.453 80.8 10.6 -83.0 -4.9 11.1 2.0 -16.4 153 214 A A E -m 122 0C 11 -32,-0.6 -30,-3.4 2,-0.1 2,-0.3 -0.907 53.4-172.9-170.9 148.8 13.9 4.3 -17.5 154 215 A E E +m 123 0C 89 -2,-0.3 -30,-0.2 -32,-0.2 2,-0.2 -0.776 15.1 170.4-154.4 94.5 17.6 4.3 -18.2 155 216 A R E -m 124 0C 57 -32,-1.9 -30,-2.1 -2,-0.3 2,-0.3 -0.433 25.9-127.1 -93.5 179.7 19.5 7.6 -19.0 156 217 A E E -m 125 0C 99 -32,-0.2 -30,-0.2 -2,-0.2 2,-0.1 -0.994 21.8-174.0-135.4 134.1 23.3 8.0 -19.1 157 218 A G - 0 0 5 -32,-3.2 -29,-0.2 -2,-0.3 4,-0.1 -0.397 31.2-123.2-114.0-167.3 25.5 10.5 -17.4 158 219 A D - 0 0 89 2,-0.3 -32,-0.1 -32,-0.2 3,-0.1 -0.005 61.9 -91.1-127.8 27.7 29.2 11.5 -17.5 159 220 A W S S+ 0 0 27 -34,-0.2 2,-0.3 1,-0.2 29,-0.2 0.375 92.3 112.0 81.3 -1.8 30.0 11.0 -13.9 160 221 A S S >> S- 0 0 24 27,-0.1 4,-1.6 1,-0.1 3,-1.1 -0.694 76.5-117.3-110.8 164.1 29.2 14.5 -12.9 161 222 A A H >> S+ 0 0 4 1,-0.3 4,-2.1 -2,-0.3 3,-0.7 0.939 113.1 54.3 -55.8 -49.9 26.6 16.4 -10.8 162 223 A M H 3> S+ 0 0 82 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.660 107.0 49.8 -62.5 -20.5 25.4 18.3 -13.7 163 224 A S H <> S+ 0 0 6 -3,-1.1 4,-1.8 2,-0.2 -1,-0.3 0.787 108.1 52.5 -88.3 -28.9 24.7 15.2 -15.8 164 225 A G H <>S+ 0 0 2 -4,-2.3 3,-2.2 2,-0.2 5,-1.0 0.976 115.0 45.7 -51.1 -61.2 13.3 12.2 -17.7 172 233 A L H ><5S+ 0 0 13 -4,-3.4 3,-1.2 1,-0.3 -2,-0.2 0.937 109.6 54.3 -47.6 -55.0 10.9 13.9 -15.3 173 234 A N H 3<5S+ 0 0 122 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.643 99.3 68.0 -55.7 -16.3 9.9 16.5 -17.9 174 235 A E T <<5S- 0 0 110 -3,-2.2 -1,-0.3 -4,-0.9 -2,-0.2 -0.070 121.3-100.8 -95.1 32.7 9.0 13.5 -20.1 175 236 A G T < 5S+ 0 0 71 -3,-1.2 2,-0.6 1,-0.2 -3,-0.2 0.225 87.3 127.6 71.8 -21.6 6.1 12.3 -18.0 176 237 A I < + 0 0 48 -5,-1.0 -2,-0.2 -6,-0.2 -1,-0.2 -0.582 28.1 165.9 -77.2 115.8 8.4 9.6 -16.6 177 238 A V - 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