==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 09-DEC-05 2C96 . COMPND 2 MOLECULE: PSP OPERON TRANSCRIPTIONAL ACTIVATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.RAPPAS,J.SCHUMACHER,H.NIWA,M.BUCK,X.ZHANG . 237 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 1 1 0 1 1 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 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 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 . 1 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 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 8 A L 0 0 105 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.2 33.8 30.8 -2.1 2 9 A L + 0 0 49 2,-0.0 2,-0.1 168,-0.0 164,-0.1 -0.629 360.0 90.4 -88.0 152.6 33.6 33.6 0.5 3 10 A G - 0 0 15 -2,-0.2 163,-0.0 162,-0.1 164,-0.0 -0.220 33.2-172.0 132.0 140.3 35.1 33.4 4.0 4 11 A E + 0 0 145 -2,-0.1 -1,-0.1 159,-0.1 2,-0.1 0.241 46.1 130.5-132.4 3.0 38.2 34.1 6.0 5 12 A A > - 0 0 6 1,-0.1 4,-2.4 158,-0.1 3,-0.4 -0.410 64.8-126.0 -64.0 138.3 37.2 32.5 9.3 6 13 A N H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 110.6 55.8 -50.3 -44.8 40.1 30.1 10.5 7 14 A S H > S+ 0 0 39 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.887 110.4 44.0 -59.6 -40.2 37.6 27.3 10.8 8 15 A F H > S+ 0 0 10 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.874 111.5 53.2 -69.7 -39.9 36.5 27.7 7.1 9 16 A L H X S+ 0 0 77 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.883 105.4 54.0 -66.0 -32.8 40.0 28.0 5.9 10 17 A E H X S+ 0 0 124 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.872 107.0 53.1 -70.2 -30.9 41.0 24.8 7.6 11 18 A V H X S+ 0 0 6 -4,-1.1 4,-2.8 -5,-0.2 5,-0.2 0.931 108.3 48.7 -64.6 -51.7 38.2 23.1 5.7 12 19 A L H X S+ 0 0 29 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.912 111.5 50.4 -57.2 -41.3 39.5 24.4 2.4 13 20 A E H X S+ 0 0 115 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.952 111.6 48.2 -58.8 -47.8 43.0 23.1 3.3 14 21 A Q H >X S+ 0 0 52 -4,-2.4 4,-2.0 1,-0.2 3,-0.6 0.910 109.3 51.9 -56.1 -50.8 41.6 19.8 4.2 15 22 A V H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.860 103.6 59.4 -55.0 -34.9 39.6 19.5 1.0 16 23 A S H 3< S+ 0 0 53 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 111.4 40.4 -68.2 -31.6 42.7 20.3 -1.0 17 24 A H H << S+ 0 0 127 -4,-1.2 4,-0.3 -3,-0.6 -1,-0.2 0.786 117.7 47.1 -80.6 -31.9 44.4 17.2 0.4 18 25 A L H >< S+ 0 0 8 -4,-2.0 3,-1.1 1,-0.2 5,-0.2 0.774 94.4 76.6 -80.1 -31.0 41.4 14.9 0.3 19 26 A A T 3< S+ 0 0 0 -4,-2.4 28,-0.2 1,-0.2 -1,-0.2 0.882 91.0 51.5 -54.1 -47.7 40.4 15.8 -3.3 20 27 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 27,-0.2 0.692 94.0 90.4 -69.3 -18.2 43.0 13.7 -5.1 21 28 A L S < S- 0 0 66 -3,-1.1 26,-0.1 -4,-0.3 -3,-0.0 -0.360 72.2-141.2 -66.4 157.8 42.2 10.5 -3.2 22 29 A D + 0 0 87 2,-0.1 103,-0.4 24,-0.1 -1,-0.1 0.302 65.9 119.0-100.5 14.1 39.6 8.1 -4.4 23 30 A K S S- 0 0 102 -5,-0.2 -2,-0.1 101,-0.1 127,-0.1 -0.444 72.3-101.9 -82.1 146.0 38.4 7.5 -0.9 24 31 A P - 0 0 16 0, 0.0 129,-0.8 0, 0.0 128,-0.5 -0.306 36.3-155.5 -68.8 140.8 34.9 8.3 0.3 25 32 A V E -ab 126 153A 1 100,-1.9 102,-2.6 127,-0.2 2,-0.5 -0.978 7.2-151.1-123.2 137.3 34.4 11.5 2.2 26 33 A L E -ab 127 154A 7 127,-2.2 129,-2.5 -2,-0.4 2,-0.5 -0.930 8.9-160.5-103.9 127.5 31.7 12.5 4.7 27 34 A I E -ab 128 155A 0 100,-2.9 102,-1.8 -2,-0.5 2,-0.5 -0.902 7.4-163.7-106.5 116.7 30.7 16.2 5.1 28 35 A I E +ab 129 156A 37 127,-3.0 129,-2.6 -2,-0.5 2,-0.3 -0.928 31.0 113.6-103.8 129.8 28.9 17.2 8.3 29 36 A G - 0 0 4 100,-2.2 3,-0.1 -2,-0.5 102,-0.1 -0.902 58.5 -86.2 174.6 163.7 27.1 20.4 8.6 30 37 A E > - 0 0 33 127,-0.4 3,-1.2 -2,-0.3 5,-0.3 -0.083 63.7 -73.7 -72.1 170.8 23.8 22.2 9.0 31 38 A R T 3 S+ 0 0 148 173,-0.3 -1,-0.2 1,-0.2 176,-0.1 -0.326 118.1 20.6 -60.8 147.4 21.6 23.1 6.1 32 39 A G T 3 S+ 0 0 13 174,-0.2 175,-1.6 175,-0.1 176,-0.7 0.643 85.6 119.4 75.4 11.1 22.9 26.0 4.0 33 40 A T S < S- 0 0 2 -3,-1.2 -2,-0.1 173,-0.2 -1,-0.1 0.484 88.8 -98.2 -91.9 -5.2 26.5 25.7 5.1 34 41 A G S > S+ 0 0 24 -4,-0.1 4,-2.4 -5,-0.1 5,-0.2 0.627 73.1 142.5 97.4 25.4 28.0 24.9 1.7 35 42 A K H > S+ 0 0 18 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.933 76.7 48.1 -65.4 -42.1 28.3 21.1 1.8 36 43 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.9 51.9 -63.9 -41.6 27.3 20.8 -1.9 37 44 A L H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.4 48.1 -59.0 -42.7 29.8 23.5 -2.9 38 45 A I H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 109.3 51.8 -65.1 -40.4 32.5 21.6 -1.0 39 46 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.922 109.6 51.3 -59.6 -43.0 31.6 18.3 -2.6 40 47 A S H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.937 109.0 50.5 -63.5 -38.1 31.9 20.0 -6.0 41 48 A R H X S+ 0 0 85 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.875 104.2 57.5 -62.8 -41.1 35.3 21.3 -5.0 42 49 A L H < S+ 0 0 0 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.860 112.4 43.3 -58.5 -38.0 36.4 17.8 -4.0 43 50 A H H >< S+ 0 0 0 -4,-1.5 3,-1.0 -5,-0.2 -2,-0.2 0.951 114.3 45.8 -74.6 -50.8 35.5 16.7 -7.6 44 51 A Y H 3< S+ 0 0 128 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.769 113.8 50.2 -66.2 -23.9 37.0 19.7 -9.5 45 52 A L T 3< S+ 0 0 88 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.492 100.4 83.9 -90.8 -3.1 40.3 19.5 -7.5 46 53 A S S X S- 0 0 6 -3,-1.0 3,-0.9 -4,-0.3 -27,-0.1 -0.267 95.4-104.8 -90.5 175.9 40.6 15.7 -8.0 47 54 A S G > S+ 0 0 95 1,-0.2 3,-0.5 -28,-0.2 -1,-0.1 0.754 119.4 65.5 -69.1 -26.4 42.2 13.8 -11.0 48 55 A R G > + 0 0 17 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 0.074 65.6 115.7 -79.0 17.2 38.6 13.0 -12.0 49 56 A W G < S+ 0 0 137 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.796 74.7 50.0 -67.0 -32.2 37.8 16.7 -12.7 50 57 A Q G < S+ 0 0 164 -3,-0.5 -1,-0.3 32,-0.1 -2,-0.1 0.515 102.6 84.5 -79.7 -7.7 37.1 16.2 -16.5 51 58 A G S < S- 0 0 21 -3,-1.2 32,-0.2 1,-0.2 31,-0.1 -0.303 95.7 -70.8 -87.0 176.9 34.8 13.3 -15.4 52 59 A P - 0 0 43 0, 0.0 32,-2.6 0, 0.0 2,-0.5 -0.357 29.3-152.4 -68.2 154.5 31.3 13.7 -14.5 53 60 A F E -c 84 0A 45 30,-0.2 2,-0.3 -3,-0.1 32,-0.2 -0.947 22.8-180.0-122.7 106.4 29.9 15.3 -11.3 54 61 A I E -c 85 0A 22 30,-2.4 32,-2.1 -2,-0.5 2,-0.3 -0.805 3.9-170.1-104.0 143.8 26.6 13.7 -10.6 55 62 A S E +c 86 0A 31 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.928 9.5 176.7-135.0 159.8 24.6 14.6 -7.5 56 63 A L E -c 87 0A 15 30,-2.1 32,-1.8 -2,-0.3 2,-0.6 -0.901 22.5-143.5-167.5 136.2 21.6 13.4 -5.7 57 64 A N E > -c 88 0A 44 -2,-0.3 3,-2.4 30,-0.2 2,-0.5 -0.918 15.3-145.5-106.5 111.4 19.6 14.2 -2.7 58 65 A C T 3 S+ 0 0 7 30,-2.1 34,-0.1 -2,-0.6 31,-0.1 -0.077 101.1 51.8 -66.3 26.6 18.3 11.1 -1.0 59 66 A A T 3 S+ 0 0 59 -2,-0.5 -1,-0.3 3,-0.0 4,-0.1 0.298 88.6 77.6-131.5 3.3 15.2 13.2 0.0 60 67 A A S < S+ 0 0 79 -3,-2.4 2,-0.3 2,-0.1 -2,-0.1 0.025 98.5 49.3 -97.3 26.7 14.4 14.5 -3.5 61 68 A L S S- 0 0 52 0, 0.0 5,-0.1 0, 0.0 2,-0.0 -0.972 98.0 -84.9-168.9 138.3 12.9 11.1 -4.3 62 69 A N >> - 0 0 89 -2,-0.3 3,-2.1 1,-0.1 4,-0.8 -0.288 41.5-120.7 -50.7 130.2 10.5 8.5 -2.9 63 70 A E T 34 S+ 0 0 57 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.705 111.6 52.8 -44.9 -36.0 12.2 6.1 -0.4 64 71 A N T 34 S+ 0 0 126 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.654 106.7 52.3 -82.4 -19.6 11.3 3.0 -2.5 65 72 A L T <> S+ 0 0 88 -3,-2.1 4,-2.5 1,-0.1 5,-0.3 0.459 84.6 87.8 -91.9 -4.9 12.9 4.5 -5.7 66 73 A L H X S+ 0 0 4 -4,-0.8 4,-2.7 1,-0.2 5,-0.2 0.924 84.6 55.3 -53.8 -45.2 16.2 5.3 -4.0 67 74 A D H > S+ 0 0 33 -4,-0.3 4,-3.9 2,-0.2 -1,-0.2 0.908 113.5 36.4 -55.7 -62.1 17.6 1.8 -4.8 68 75 A S H 4 S+ 0 0 56 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 117.2 54.6 -66.3 -37.0 17.0 1.8 -8.6 69 76 A E H < S+ 0 0 38 -4,-2.5 7,-2.9 6,-0.1 -2,-0.2 0.903 118.8 34.2 -58.3 -37.7 17.9 5.5 -8.8 70 77 A L H < 0 0 4 -4,-2.7 7,-1.9 5,-0.3 8,-0.4 0.976 360.0 360.0 -83.7 -55.5 21.2 4.8 -7.0 71 78 A F < 0 0 13 -4,-3.9 7,-0.2 -5,-0.2 -3,-0.2 0.628 360.0 360.0-111.7 360.0 22.0 1.4 -8.4 72 ! 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 73 92 A H 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.0 16.0 3.0 -15.1 74 93 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.020 360.0-117.9 -66.6 177.6 19.8 3.4 -14.7 75 94 A G > - 0 0 1 -5,-0.1 4,-2.2 1,-0.1 -5,-0.3 -0.826 17.6-107.8-129.8 166.1 21.5 4.9 -11.7 76 95 A R H > S+ 0 0 53 -7,-2.9 4,-2.5 -2,-0.3 5,-0.2 0.874 116.6 57.2 -50.7 -43.7 23.6 7.7 -10.4 77 96 A F H >> S+ 0 0 6 -7,-1.9 4,-0.6 1,-0.2 3,-0.5 0.948 107.6 48.4 -55.4 -49.9 26.6 5.3 -9.9 78 97 A E H >4 S+ 0 0 77 -8,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.859 112.7 48.4 -57.9 -40.3 26.4 4.4 -13.6 79 98 A R H 3< S+ 0 0 130 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.792 110.7 50.8 -69.3 -30.0 26.2 8.1 -14.5 80 99 A A H X< S+ 0 0 0 -4,-2.5 3,-3.1 -3,-0.5 44,-0.3 0.460 75.3 135.0 -89.9 1.3 29.2 9.0 -12.2 81 100 A D T << S+ 0 0 80 -3,-0.8 42,-0.2 -4,-0.6 3,-0.1 -0.238 80.3 14.9 -59.9 127.2 31.5 6.3 -13.6 82 101 A G T 3 S+ 0 0 30 40,-3.3 -1,-0.3 1,-0.3 41,-0.2 0.342 132.3 57.2 90.9 -0.5 34.9 7.9 -14.2 83 102 A G S < S- 0 0 0 -3,-3.1 41,-2.2 39,-0.5 2,-0.4 -0.168 91.2 -70.2-137.3-148.9 33.7 10.7 -12.1 84 103 A T E -cd 53 124A 0 -32,-2.6 -30,-2.4 39,-0.2 2,-0.5 -0.986 25.3-151.9-131.3 143.6 32.3 11.6 -8.7 85 104 A L E -cd 54 125A 0 39,-2.8 41,-2.8 -2,-0.4 2,-0.6 -0.943 6.5-161.5-117.4 120.9 29.0 11.1 -6.9 86 105 A F E -cd 55 126A 0 -32,-2.1 -30,-2.1 -2,-0.5 2,-0.7 -0.849 4.7-170.9-102.1 122.9 27.6 13.4 -4.2 87 106 A L E -cd 56 127A 1 39,-3.6 41,-2.1 -2,-0.6 3,-0.3 -0.879 6.3-171.9-116.3 102.0 24.9 12.0 -1.9 88 107 A D E +c 57 0A 29 -32,-1.8 -30,-2.1 -2,-0.7 41,-0.1 -0.587 66.0 29.2 -90.0 159.3 23.3 14.6 0.4 89 108 A E > + 0 0 77 39,-0.5 3,-0.5 -2,-0.2 -1,-0.2 0.951 66.8 158.2 56.5 58.8 20.9 13.7 3.1 90 109 A L G > + 0 0 2 38,-1.7 3,-1.9 -3,-0.3 39,-0.1 0.719 58.6 74.4 -78.3 -33.0 22.3 10.2 3.9 91 110 A A G 3 S+ 0 0 16 37,-0.3 -1,-0.2 1,-0.3 38,-0.1 0.502 97.8 51.0 -68.0 4.7 21.0 9.9 7.4 92 111 A T G < S+ 0 0 90 -3,-0.5 -1,-0.3 -34,-0.1 -2,-0.1 -0.078 80.9 118.1-126.4 18.9 17.4 9.2 5.9 93 112 A A S < S- 0 0 12 -3,-1.9 2,-0.2 1,-0.1 -30,-0.0 -0.725 75.3-103.3 -84.8 140.2 18.5 6.5 3.4 94 113 A P >> - 0 0 27 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.496 27.7-116.8 -54.6 128.8 16.8 3.1 4.1 95 114 A M H 3> S+ 0 0 67 -2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.801 115.4 56.5 -26.1 -51.0 19.1 0.5 5.8 96 115 A M H 3> S+ 0 0 117 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.933 109.1 45.2 -62.0 -43.0 18.9 -1.7 2.7 97 116 A V H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.904 114.3 50.7 -65.1 -36.0 20.2 1.1 0.5 98 117 A Q H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.861 112.4 45.0 -68.1 -40.7 22.8 1.7 3.2 99 118 A E H X S+ 0 0 76 -4,-3.5 4,-1.9 2,-0.2 -2,-0.2 0.915 116.8 47.0 -67.8 -40.6 23.9 -2.0 3.3 100 119 A K H X S+ 0 0 85 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.841 109.2 53.9 -69.4 -32.8 23.9 -2.0 -0.5 101 120 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.937 105.4 53.0 -63.5 -48.0 25.8 1.2 -0.4 102 121 A L H X S+ 0 0 4 -4,-2.2 4,-3.7 1,-0.2 -2,-0.2 0.921 109.1 51.7 -50.1 -44.4 28.4 -0.5 1.8 103 122 A R H X S+ 0 0 38 -4,-1.9 4,-3.5 2,-0.2 5,-0.5 0.877 108.4 48.7 -64.1 -37.7 28.7 -3.3 -0.8 104 123 A V H X S+ 0 0 12 -4,-1.9 4,-1.6 3,-0.2 -1,-0.2 0.876 117.0 42.9 -71.5 -34.1 29.3 -0.9 -3.6 105 124 A I H < S+ 0 0 29 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.951 120.6 41.2 -68.4 -49.2 31.9 0.8 -1.6 106 125 A E H < S+ 0 0 88 -4,-3.7 -2,-0.2 -5,-0.2 -3,-0.2 0.910 129.5 27.1 -71.0 -38.1 33.3 -2.5 -0.4 107 126 A Y H < S- 0 0 180 -4,-3.5 -3,-0.2 -5,-0.2 -1,-0.2 0.635 89.3-134.3-106.6 -16.2 33.1 -4.4 -3.8 108 127 A G S < S+ 0 0 33 -4,-1.6 13,-1.8 -5,-0.5 2,-0.3 0.682 70.8 91.7 78.3 18.0 33.3 -1.7 -6.5 109 128 A E E S-E 120 0B 88 -6,-0.4 2,-0.5 11,-0.2 11,-0.3 -0.994 74.4-115.6-150.8 151.8 30.4 -3.1 -8.6 110 129 A L E -E 119 0B 0 9,-3.3 9,-2.1 -2,-0.3 -10,-0.0 -0.745 37.5-117.8 -93.4 125.2 26.6 -2.8 -9.0 111 130 A E - 0 0 68 -2,-0.5 2,-0.4 7,-0.2 6,-0.1 -0.354 27.1-162.4 -65.6 138.3 24.6 -5.9 -8.1 112 131 A R - 0 0 81 1,-0.2 3,-0.1 4,-0.1 -1,-0.0 -0.995 8.7-148.6-130.0 127.8 22.6 -7.4 -11.0 113 132 A V - 0 0 114 -2,-0.4 -1,-0.2 1,-0.1 2,-0.2 0.952 64.5 -25.9 -66.3 -85.0 19.8 -9.8 -10.3 114 133 A G S S+ 0 0 61 3,-0.1 2,-1.9 0, 0.0 -1,-0.1 -0.675 119.6 20.5-118.2 178.7 19.6 -12.2 -13.2 115 134 A G S S+ 0 0 95 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.478 106.5 69.8 69.6 -84.4 20.6 -12.1 -16.8 116 135 A S S S- 0 0 65 -2,-1.9 -4,-0.1 1,-0.1 3,-0.1 -0.346 83.2-124.1 -70.7 139.6 23.1 -9.2 -16.7 117 136 A Q - 0 0 79 1,-0.1 -4,-0.1 -2,-0.1 -1,-0.1 -0.481 48.8 -76.2 -76.2 156.8 26.4 -9.7 -15.0 118 137 A P - 0 0 64 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 -0.182 51.1-116.3 -59.6 146.9 27.2 -7.2 -12.2 119 138 A L E -E 110 0B 34 -9,-2.1 -9,-3.3 -3,-0.1 2,-0.3 -0.773 18.6-141.9 -97.8 114.7 28.3 -3.7 -13.4 120 139 A Q E -E 109 0B 84 -2,-0.7 2,-0.3 -11,-0.3 -11,-0.2 -0.562 24.8-175.6 -69.6 127.2 31.8 -2.5 -12.6 121 140 A V - 0 0 24 -13,-1.8 2,-0.5 -2,-0.3 -43,-0.1 -0.920 26.0-154.0-129.4 153.0 32.0 1.2 -11.7 122 141 A N + 0 0 82 -2,-0.3 -40,-3.3 -45,-0.2 -39,-0.5 -0.895 39.3 153.9-130.9 87.0 34.9 3.7 -10.9 123 142 A V - 0 0 28 -2,-0.5 2,-0.7 -42,-0.2 -39,-0.2 -0.990 40.8-143.2-133.9 120.4 33.2 6.3 -8.7 124 143 A R E - d 0 84A 0 -41,-2.2 -39,-2.8 -2,-0.4 2,-0.4 -0.793 31.0-144.7 -78.8 119.7 34.6 8.7 -6.1 125 144 A L E + d 0 85A 9 -2,-0.7 -100,-1.9 -103,-0.4 2,-0.4 -0.712 22.6 177.3 -94.4 133.6 31.9 9.0 -3.4 126 145 A V E -ad 25 86A 0 -41,-2.8 -39,-3.6 -2,-0.4 2,-0.3 -0.997 7.6-174.1-128.4 129.6 31.0 12.0 -1.2 127 146 A C E -ad 26 87A 0 -102,-2.6 -100,-2.9 -2,-0.4 2,-0.3 -0.887 3.0-163.7-118.8 154.5 28.2 12.0 1.4 128 147 A A E +a 27 0A 0 -41,-2.1 -38,-1.7 -2,-0.3 -39,-0.5 -0.973 17.7 141.2-137.8 146.3 26.6 14.8 3.5 129 148 A T E -a 28 0A 10 -102,-1.8 -100,-2.2 -2,-0.3 4,-0.1 -0.966 42.0-136.3-163.6 169.3 24.4 15.1 6.6 130 149 A N S S+ 0 0 101 -2,-0.3 -100,-0.1 -102,-0.2 2,-0.1 0.299 70.6 107.1-113.9 6.8 23.7 17.0 10.0 131 150 A A S S- 0 0 29 -102,-0.1 2,-1.3 1,-0.1 -102,-0.1 -0.402 84.5-113.2 -75.9 153.2 23.0 14.0 12.2 132 151 A D >> - 0 0 111 1,-0.2 4,-2.4 -2,-0.1 3,-1.7 -0.864 40.0-165.5 -79.4 89.7 25.5 12.8 14.8 133 152 A L H 3> S+ 0 0 3 -2,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.849 85.9 56.4 -54.4 -39.5 25.9 9.6 12.6 134 153 A P H 3> S+ 0 0 80 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.656 107.6 49.9 -60.0 -24.7 27.6 7.9 15.5 135 154 A A H <> S+ 0 0 31 -3,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.851 107.1 51.4 -81.2 -45.1 24.4 8.6 17.4 136 155 A M H <>S+ 0 0 25 -4,-2.4 5,-2.3 2,-0.2 6,-1.2 0.898 108.5 55.1 -58.1 -33.0 22.2 7.3 14.6 137 156 A V H ><5S+ 0 0 40 -4,-2.2 3,-1.2 4,-0.2 7,-0.2 0.953 110.2 43.6 -63.1 -50.5 24.4 4.0 14.8 138 157 A N H 3<5S+ 0 0 146 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 110.7 58.1 -62.6 -27.2 23.8 3.7 18.4 139 158 A E T 3<5S- 0 0 136 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.490 113.4-115.6 -82.2 -1.6 20.1 4.5 17.8 140 159 A G T < 5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.590 94.0 103.5 78.1 9.0 19.7 1.6 15.3 141 160 A T S - 0 0 95 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.573 16.6-153.1 -73.7 122.0 24.5 1.0 10.1 144 163 A A H > S+ 0 0 47 -2,-0.4 4,-2.1 -7,-0.2 -1,-0.2 0.898 98.7 52.0 -56.2 -45.3 27.6 0.7 12.3 145 164 A D H > S+ 0 0 50 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.855 107.4 50.5 -59.3 -37.9 29.3 -1.3 9.5 146 165 A L H >> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 3,-1.0 0.942 111.9 47.4 -68.2 -43.5 28.5 1.3 6.8 147 166 A L H 3X S+ 0 0 27 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.892 102.6 63.7 -65.8 -35.5 30.0 4.1 9.0 148 167 A D H 3< S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.733 119.7 25.3 -61.3 -22.8 33.1 2.0 9.7 149 168 A R H << S+ 0 0 105 -3,-1.0 3,-0.3 -4,-0.6 -2,-0.2 0.694 117.4 56.2-111.4 -29.3 33.9 2.1 6.0 150 169 A L H < S+ 0 0 0 -4,-2.9 2,-1.9 1,-0.2 3,-0.4 0.896 93.0 68.5 -77.9 -38.3 32.3 5.2 4.6 151 170 A A < + 0 0 34 -4,-1.5 -1,-0.2 -5,-0.3 3,-0.1 -0.415 50.6 150.8 -83.8 69.4 33.8 7.8 6.9 152 171 A F S S- 0 0 99 -2,-1.9 2,-0.3 -128,-0.5 -1,-0.2 0.934 82.8 -8.6 -59.4 -48.5 37.4 7.5 5.6 153 172 A D E S-b 25 0A 72 -129,-0.8 -127,-2.2 -3,-0.4 2,-0.4 -0.962 72.0-137.2-147.6 160.1 37.6 11.1 6.6 154 173 A V E -b 26 0A 40 -2,-0.3 2,-0.6 -129,-0.2 -127,-0.2 -0.982 3.9-157.8-122.2 130.9 35.1 13.7 7.8 155 174 A V E -b 27 0A 0 -129,-2.5 -127,-3.0 -2,-0.4 2,-0.8 -0.954 13.0-158.2-104.7 117.5 34.9 17.4 6.8 156 175 A Q E -b 28 0A 142 -2,-0.6 -127,-0.2 -129,-0.2 -145,-0.1 -0.870 4.1-155.9-101.5 107.8 33.1 19.4 9.4 157 176 A L - 0 0 7 -129,-2.6 -127,-0.4 -2,-0.8 -149,-0.1 -0.764 18.8-127.0 -84.0 121.1 31.6 22.6 8.0 158 177 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.445 20.9-117.2 -67.0 140.4 31.1 25.3 10.6 159 178 A P > - 0 0 12 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.287 31.4-106.7 -67.2 159.7 27.7 26.9 10.9 160 179 A L G > S+ 0 0 1 43,-0.3 3,-2.0 1,-0.3 6,-0.2 0.853 119.8 62.1 -58.2 -37.7 27.6 30.7 10.2 161 180 A R G 3 S+ 0 0 101 41,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.648 106.1 47.6 -66.8 -16.6 27.1 31.5 13.9 162 181 A E G < S+ 0 0 129 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.354 109.0 53.6-100.8 3.1 30.6 29.8 14.5 163 182 A R S X> S+ 0 0 4 -3,-2.0 3,-2.2 -4,-0.2 4,-0.6 -0.496 70.3 153.6-122.5 47.3 32.1 31.8 11.5 164 183 A E H >> + 0 0 53 -3,-0.3 3,-1.1 1,-0.3 4,-0.7 0.840 64.6 61.8 -59.7 -35.3 30.9 35.1 13.0 165 184 A S H 3> S+ 0 0 86 1,-0.2 4,-0.6 2,-0.1 -1,-0.3 0.735 103.4 51.8 -55.8 -26.1 33.7 37.1 11.3 166 185 A D H <> S+ 0 0 1 -3,-2.2 4,-2.7 -6,-0.2 5,-0.3 0.581 87.1 80.9 -86.6 -16.0 32.3 36.0 8.0 167 186 A I H S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.890 108.9 47.5 -61.2 -43.1 22.2 46.6 -5.3 180 199 A R H ><5S+ 0 0 119 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.896 109.4 53.5 -60.0 -43.5 23.4 45.7 -8.9 181 200 A E H 3<5S+ 0 0 135 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.882 117.1 36.4 -61.9 -37.0 20.3 43.6 -9.5 182 201 A I T 3<5S- 0 0 57 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.260 114.4-115.3-100.3 6.9 18.0 46.5 -8.5 183 202 A K T < 5 + 0 0 190 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.769 54.9 158.8 64.8 34.3 20.2 49.2 -10.1 184 203 A L < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.720 42.3-134.1 -78.4 139.7 21.2 51.2 -7.0 185 204 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.782 80.9 3.4 -66.9 -26.3 24.4 53.2 -7.6 186 205 A L S S- 0 0 121 -7,-0.1 -10,-0.0 3,-0.0 37,-0.0 -0.988 71.3-112.2-156.3 141.4 26.1 52.2 -4.3 187 206 A F - 0 0 17 -2,-0.3 37,-0.1 1,-0.1 3,-0.1 -0.770 31.0-151.6 -70.1 123.1 25.5 49.9 -1.3 188 207 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.504 37.8-112.7 -83.2 3.4 25.0 52.6 1.5 189 208 A G - 0 0 17 38,-0.1 39,-3.1 37,-0.1 2,-0.4 -0.207 28.9 -76.5 98.0 172.6 26.2 50.3 4.3 190 209 A F B -f 228 0C 13 37,-0.2 39,-0.2 -3,-0.1 2,-0.1 -0.905 39.6-130.0-113.3 131.0 24.7 48.7 7.4 191 210 A T > - 0 0 31 37,-2.3 4,-2.4 -2,-0.4 5,-0.2 -0.266 31.6-104.6 -63.1 165.4 23.9 50.6 10.5 192 211 A E H > S+ 0 0 129 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 124.5 55.9 -64.8 -32.5 25.0 49.3 13.8 193 212 A R H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 108.5 48.2 -64.7 -46.7 21.5 48.2 14.5 194 213 A A H > S+ 0 0 0 34,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.902 110.9 49.7 -53.0 -46.6 21.6 46.2 11.3 195 214 A R H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.901 109.8 51.5 -64.1 -39.7 24.9 44.7 12.2 196 215 A E H X S+ 0 0 111 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.908 110.5 49.3 -62.4 -47.7 23.6 43.7 15.7 197 216 A T H X S+ 0 0 43 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.929 113.8 45.9 -54.8 -47.8 20.6 42.1 14.2 198 217 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 117.5 41.7 -62.9 -40.6 22.8 40.2 11.7 199 218 A L H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.690 113.1 51.1 -87.4 -16.9 25.4 39.1 14.2 200 219 A N H < S+ 0 0 141 -4,-1.8 2,-0.2 -5,-0.2 -1,-0.2 0.576 88.9 95.3 -95.4 -12.7 23.0 38.1 17.1 201 220 A Y S < S- 0 0 62 -4,-0.9 -4,-0.0 -5,-0.2 0, 0.0 -0.597 74.1-136.1 -80.5 144.3 20.8 35.9 15.0 202 221 A R - 0 0 53 -2,-0.2 -41,-0.4 -42,-0.0 4,-0.1 0.588 22.9-142.0 -82.2 -5.2 21.5 32.2 15.0 203 222 A W > - 0 0 0 1,-0.1 3,-1.8 -43,-0.1 -43,-0.3 0.947 22.4-178.1 48.2 63.7 21.2 31.6 11.2 204 223 A P T 3 S+ 0 0 50 0, 0.0 -173,-0.3 0, 0.0 -1,-0.1 0.784 88.2 44.1 -67.0 -21.2 19.5 28.1 11.4 205 224 A G T >> S- 0 0 5 1,-0.2 4,-1.6 -175,-0.1 3,-0.7 0.263 97.7-165.0-103.1 8.0 19.6 28.2 7.5 206 225 A N H <> - 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 -0.043 60.6 -2.9 51.3-130.5 23.1 29.5 7.5 207 226 A I H 3> S+ 0 0 31 -175,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.879 132.9 54.3 -70.4 -33.0 24.5 31.0 4.2 208 227 A R H <> S+ 0 0 172 -176,-0.7 4,-1.9 -3,-0.7 -1,-0.2 0.944 113.1 44.3 -62.0 -44.0 21.3 30.3 2.1 209 228 A E H X S+ 0 0 39 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.900 110.0 54.7 -69.8 -43.7 19.3 32.2 4.7 210 229 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.910 108.1 48.9 -52.8 -48.7 21.7 35.0 5.0 211 230 A K H X S+ 0 0 99 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.920 113.5 46.0 -60.7 -46.8 21.7 35.7 1.2 212 231 A N H X S+ 0 0 93 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.939 114.4 48.7 -64.4 -46.0 17.9 35.7 1.1 213 232 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 19,-0.4 0.942 114.1 45.3 -54.1 -45.5 17.6 37.9 4.2 214 233 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.916 112.8 49.3 -71.4 -41.3 20.1 40.4 2.9 215 234 A E H X S+ 0 0 39 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.952 112.6 48.1 -63.9 -45.5 18.7 40.5 -0.6 216 235 A R H X S+ 0 0 39 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.920 112.1 50.1 -59.4 -44.5 15.2 41.1 0.8 217 236 A S H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.889 109.4 49.4 -63.9 -41.4 16.4 43.8 3.1 218 237 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.927 113.2 49.1 -62.2 -47.5 18.3 45.7 0.4 219 238 A Y H < S+ 0 0 144 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.939 111.2 47.4 -59.5 -47.5 15.1 45.6 -1.8 220 239 A R H < S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.0 50.2 -62.4 -38.9 12.8 46.8 1.0 221 240 A H H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.928 82.7 179.8 -63.6 -54.0 15.3 49.6 1.8 222 241 A G < + 0 0 42 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.585 39.4 88.1 73.3 12.9 15.4 50.5 -1.8 223 242 A T - 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