==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 19-JUL-11 3SZT . COMPND 2 MOLECULE: QUORUM-SENSING CONTROL REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.E.A.CHURCHILL,M.J.LINTZ . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 72.4 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 . 52 11.4 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 . 2 0.4 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 . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 1 0 0 2 4 3 1 3 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 0 3 1 0 1 2 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 1 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 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 5 A R 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.0 15.9 8.3 -3.3 2 6 A E - 0 0 183 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.959 360.0 -51.2 66.6 53.9 14.5 7.9 -6.9 3 7 A G S > S+ 0 0 39 1,-0.1 4,-2.2 3,-0.1 -1,-0.1 0.801 85.6 143.9 57.0 39.8 16.6 4.9 -7.8 4 8 A Y H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.929 76.2 58.0 -65.3 -42.6 20.1 6.2 -6.9 5 9 A L H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 108.6 44.5 -50.1 -47.5 20.7 2.5 -5.9 6 10 A E H > S+ 0 0 42 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.954 112.5 50.2 -63.4 -51.3 19.8 1.4 -9.4 7 11 A I H X S+ 0 0 80 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.778 114.3 48.5 -57.4 -25.8 21.9 4.1 -11.0 8 12 A L H < S+ 0 0 14 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.777 102.1 56.9 -90.8 -29.9 24.7 3.1 -8.8 9 13 A S H < S+ 0 0 103 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.744 107.4 54.5 -70.6 -21.9 24.6 -0.7 -9.4 10 14 A R H < S+ 0 0 185 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.911 79.5 108.7 -72.4 -47.3 25.1 0.2 -13.1 11 15 A I < + 0 0 23 -4,-1.0 3,-0.1 1,-0.2 -3,-0.0 -0.031 27.5 150.2 -42.2 118.6 28.2 2.3 -12.6 12 16 A T + 0 0 80 1,-0.0 2,-0.3 147,-0.0 -1,-0.2 0.425 55.2 57.2-129.5 -10.1 31.2 0.4 -14.0 13 17 A T S > S- 0 0 82 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.833 77.3-121.3-124.8 162.8 33.5 3.2 -15.1 14 18 A E H > S+ 0 0 105 -2,-0.3 4,-3.6 2,-0.2 -1,-0.1 0.880 114.9 50.6 -65.8 -43.5 35.2 6.3 -13.5 15 19 A E H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.848 109.8 51.9 -65.2 -34.5 33.5 8.7 -15.9 16 20 A E H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.968 112.1 45.3 -62.4 -51.5 30.2 7.1 -15.0 17 21 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 111.0 55.8 -55.3 -46.7 31.2 7.6 -11.3 18 22 A F H X S+ 0 0 62 -4,-3.6 4,-2.7 1,-0.2 -2,-0.2 0.937 107.8 46.6 -50.8 -52.7 32.2 11.2 -12.2 19 23 A S H X S+ 0 0 57 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.886 108.7 53.7 -67.4 -37.6 28.8 12.1 -13.7 20 24 A L H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.969 112.9 44.4 -56.2 -53.0 26.8 10.6 -10.8 21 25 A V H X S+ 0 0 1 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.946 114.0 50.9 -56.6 -47.3 28.8 12.8 -8.3 22 26 A L H X S+ 0 0 69 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.878 110.0 48.3 -59.7 -41.9 28.5 15.8 -10.7 23 27 A E H X S+ 0 0 112 -4,-2.9 4,-3.9 2,-0.2 -1,-0.2 0.894 113.2 48.5 -63.2 -41.3 24.7 15.4 -11.0 24 28 A I H X S+ 0 0 4 -4,-2.4 4,-3.2 -5,-0.2 6,-0.3 0.939 109.7 52.1 -63.6 -45.8 24.5 15.1 -7.2 25 29 A C H <>S+ 0 0 1 -4,-3.2 5,-2.4 -5,-0.2 -2,-0.2 0.940 117.6 38.4 -54.6 -49.5 26.7 18.2 -6.8 26 30 A G H ><5S+ 0 0 47 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.958 116.7 49.6 -66.1 -54.5 24.4 20.1 -9.1 27 31 A N H 3<5S+ 0 0 113 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.858 109.7 53.5 -52.0 -40.4 21.1 18.6 -7.9 28 32 A Y T 3<5S- 0 0 54 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.270 121.4-100.5 -89.4 14.5 22.0 19.3 -4.3 29 33 A G T < 5S+ 0 0 41 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.605 81.1 113.3 89.3 14.5 22.8 23.0 -4.8 30 34 A F < - 0 0 15 -5,-2.4 -1,-0.3 -6,-0.3 98,-0.2 -0.425 52.5-148.6-110.3-169.7 26.5 23.2 -5.0 31 35 A E S S+ 0 0 97 96,-2.3 2,-0.3 1,-0.4 97,-0.2 0.657 75.5 33.0-134.2 -39.2 29.0 24.1 -7.7 32 36 A F E +A 127 0A 24 95,-3.1 95,-3.1 -7,-0.1 -1,-0.4 -0.888 60.2 179.4-123.6 158.1 32.2 22.1 -7.1 33 37 A F E -A 126 0A 0 -2,-0.3 20,-1.3 93,-0.2 2,-0.3 -0.980 9.1-164.5-146.8 158.0 32.8 18.6 -5.7 34 38 A S E -AB 125 52A 21 91,-2.0 91,-2.5 -2,-0.3 2,-0.3 -0.989 4.5-177.9-139.7 154.2 35.6 16.2 -5.0 35 39 A F E +AB 124 51A 0 16,-2.4 16,-2.7 -2,-0.3 2,-0.3 -0.967 17.6 145.7-146.9 136.3 35.7 12.6 -4.3 36 40 A G E -AB 123 50A 13 87,-1.0 87,-1.8 -2,-0.3 2,-0.4 -0.966 29.2-141.5-160.6 171.3 38.7 10.5 -3.5 37 41 A A E -AB 122 49A 3 12,-2.1 12,-2.3 -2,-0.3 2,-0.6 -0.984 13.9-134.4-141.1 147.1 40.0 7.6 -1.5 38 42 A R E -AB 121 48A 11 83,-2.8 83,-1.3 -2,-0.4 10,-0.2 -0.925 17.0-149.5-105.7 119.0 43.1 6.9 0.3 39 43 A A - 0 0 1 8,-2.6 8,-0.2 -2,-0.6 81,-0.1 -0.603 14.0-135.1 -78.6 148.9 44.7 3.5 -0.2 40 44 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.687 60.0 124.7 -78.7 -20.2 46.6 2.2 2.8 41 45 A F + 0 0 17 123,-0.3 6,-0.9 1,-0.1 -2,-0.1 -0.761 61.2 26.8-105.2 147.1 49.7 1.0 0.9 42 46 A P S > S- 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.631 74.0-152.1 -81.3 155.3 52.4 1.5 1.1 43 47 A L T 3 S+ 0 0 17 1,-0.3 -2,-0.1 2,-0.1 365,-0.1 0.765 92.8 68.0 -58.9 -24.1 52.3 2.4 4.8 44 48 A T T 3 S- 0 0 36 1,-0.3 -1,-0.3 363,-0.1 364,-0.1 0.816 127.9 -6.7 -67.1 -34.0 55.3 4.7 4.2 45 49 A A S < S- 0 0 60 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.615 78.3-144.3-161.6 97.2 53.2 7.1 2.1 46 50 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.340 20.8-125.0 -65.0 147.9 49.7 6.0 1.2 47 51 A K - 0 0 128 -6,-0.9 -8,-2.6 -8,-0.2 2,-0.3 -0.723 16.8-142.2 -98.5 145.4 48.5 7.1 -2.3 48 52 A Y E -B 38 0A 51 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.778 7.8-163.0-106.4 149.5 45.4 9.1 -2.9 49 53 A H E +B 37 0A 68 -12,-2.3 -12,-2.1 -2,-0.3 2,-0.3 -0.954 30.5 144.1-133.6 112.9 43.0 8.6 -5.8 50 54 A F E -B 36 0A 75 -2,-0.4 2,-0.3 -14,-0.3 -14,-0.3 -0.993 29.5-165.1-154.2 155.3 40.6 11.5 -6.5 51 55 A L E +B 35 0A 19 -16,-2.7 -16,-2.4 -2,-0.3 2,-0.3 -0.905 14.9 162.5-134.7 161.7 38.7 13.7 -9.0 52 56 A S E -B 34 0A 2 -2,-0.3 -18,-0.2 -18,-0.2 -30,-0.0 -0.947 42.3-125.1-161.5 176.6 37.0 17.0 -8.8 53 57 A N + 0 0 44 -20,-1.3 3,-0.1 -2,-0.3 -19,-0.1 -0.115 59.0 143.6-120.7 31.0 35.7 19.8 -11.1 54 58 A Y - 0 0 26 -21,-0.3 5,-0.1 1,-0.2 -2,-0.1 -0.271 69.8 -71.8 -62.7 157.4 37.7 22.4 -9.3 55 59 A P >> - 0 0 39 0, 0.0 3,-2.6 0, 0.0 4,-1.9 -0.292 49.4-117.6 -53.2 139.6 39.0 25.2 -11.5 56 60 A G H 3> S+ 0 0 53 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.805 112.6 60.1 -50.9 -36.6 41.9 23.7 -13.5 57 61 A E H 3> S+ 0 0 119 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.677 108.6 44.4 -70.4 -12.4 44.4 26.0 -12.0 58 62 A W H <> S+ 0 0 5 -3,-2.6 4,-3.7 2,-0.2 -2,-0.2 0.827 107.9 56.2 -98.1 -38.5 43.6 24.6 -8.5 59 63 A K H X S+ 0 0 88 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.952 109.1 49.8 -50.9 -51.9 43.6 21.0 -9.6 60 64 A S H X S+ 0 0 58 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.896 114.1 42.1 -57.8 -44.9 47.1 21.6 -10.9 61 65 A R H X S+ 0 0 92 -4,-0.8 4,-2.9 2,-0.2 6,-0.3 0.930 111.6 56.4 -69.7 -37.9 48.3 23.2 -7.6 62 66 A Y H <>S+ 0 0 24 -4,-3.7 5,-2.3 1,-0.2 6,-0.4 0.905 116.7 35.0 -59.8 -46.9 46.5 20.6 -5.5 63 67 A I H ><5S+ 0 0 114 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.898 117.8 54.5 -67.4 -48.5 48.3 17.7 -7.3 64 68 A S H 3<5S+ 0 0 79 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.944 114.3 37.1 -54.1 -54.9 51.6 19.7 -7.7 65 69 A E T 3<5S- 0 0 107 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 0.322 108.6-118.7 -85.9 7.5 52.1 20.6 -4.1 66 70 A D T X 5 + 0 0 93 -3,-1.1 3,-1.9 -5,-0.2 -3,-0.2 0.911 45.4 173.7 59.6 43.1 50.8 17.3 -2.8 67 71 A Y G >>< + 0 0 10 -5,-2.3 4,-3.1 -6,-0.3 3,-2.0 0.671 60.3 82.5 -61.8 -14.6 48.0 19.0 -0.9 68 72 A T G 34 S+ 0 0 11 -6,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.849 95.2 48.0 -57.3 -26.5 46.4 15.7 0.1 69 73 A S G <4 S+ 0 0 53 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.404 121.7 32.8 -96.7 8.1 48.9 15.7 3.0 70 74 A I T <4 S+ 0 0 66 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.605 82.9 111.9-126.6 -41.9 48.3 19.3 4.0 71 75 A D >X - 0 0 17 -4,-3.1 4,-2.2 1,-0.2 3,-0.7 -0.156 57.8-150.0 -45.6 110.1 44.6 19.9 3.4 72 76 A P H 3> S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.807 94.4 60.1 -58.0 -28.1 43.0 20.3 6.8 73 77 A I H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.919 106.8 46.5 -69.4 -36.7 39.8 18.9 5.6 74 78 A V H <> S+ 0 0 16 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.924 110.5 52.8 -65.7 -45.3 41.5 15.7 4.6 75 79 A R H X S+ 0 0 70 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.920 108.9 50.5 -55.4 -44.2 43.3 15.6 8.0 76 80 A H H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.958 109.1 51.8 -57.5 -51.0 40.0 15.9 9.8 77 81 A G H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 116.1 39.1 -55.7 -44.8 38.6 13.1 7.7 78 82 A L H < S+ 0 0 7 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.975 126.2 35.0 -67.1 -51.3 41.4 10.7 8.5 79 83 A L H < S+ 0 0 79 -4,-3.1 265,-0.3 -5,-0.2 -3,-0.2 0.920 126.9 28.0 -79.1 -52.5 41.8 11.8 12.2 80 84 A E S < S- 0 0 69 -4,-2.5 264,-0.0 -5,-0.3 262,-0.0 -0.130 80.8-142.6 -81.7-161.1 38.2 12.5 13.4 81 85 A Y + 0 0 42 -2,-0.1 -4,-0.1 2,-0.1 34,-0.1 0.219 56.3 93.5-152.0 19.1 35.6 10.5 11.4 82 86 A T S S- 0 0 27 -6,-0.2 -2,-0.1 1,-0.1 32,-0.1 -0.718 76.0 -84.1-122.2 167.6 32.6 12.7 10.9 83 87 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 29,-0.2 -0.313 44.1-162.1 -64.9 149.6 31.0 15.1 8.4 84 88 A L E -C 111 0A 46 27,-2.7 27,-3.0 -2,-0.0 2,-0.5 -0.999 17.1-152.5-145.6 132.3 32.1 18.7 8.5 85 89 A I E -C 110 0A 55 -2,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.897 31.1-178.3-100.4 133.2 30.8 22.0 7.2 86 90 A W E -C 109 0A 19 23,-2.9 23,-2.5 -2,-0.5 2,-0.4 -0.961 28.3-157.1-138.3 159.0 33.5 24.4 6.6 87 91 A N E >> -C 108 0A 32 -2,-0.3 3,-3.1 21,-0.2 4,-0.6 -0.923 15.2-148.6-134.6 107.8 34.2 28.0 5.5 88 92 A G T 34 S+ 0 0 0 19,-2.6 3,-0.1 -2,-0.4 14,-0.1 0.673 96.7 65.0 -45.3 -24.5 37.6 28.8 4.0 89 93 A E T 34 S+ 0 0 96 18,-0.3 -1,-0.3 1,-0.2 19,-0.1 0.731 95.0 59.7 -70.6 -23.5 37.3 32.3 5.4 90 94 A D T <4 S+ 0 0 105 -3,-3.1 -1,-0.2 2,-0.0 -2,-0.2 0.852 76.8 103.1 -80.6 -33.6 37.3 31.1 9.0 91 95 A F < - 0 0 62 -4,-0.6 7,-0.0 -3,-0.1 -3,-0.0 -0.215 46.9-166.6 -63.5 133.8 40.7 29.3 9.3 92 96 A Q S S+ 0 0 157 2,-0.0 3,-0.2 3,-0.0 2,-0.2 0.721 70.5 45.9 -89.3 -23.9 43.5 31.0 11.1 93 97 A E S S+ 0 0 143 1,-0.2 5,-0.1 2,-0.1 -2,-0.0 -0.691 96.5 41.7-114.6 170.5 46.5 28.8 10.0 94 98 A N > + 0 0 67 -2,-0.2 4,-3.1 3,-0.1 3,-0.2 0.866 63.1 155.9 59.9 35.4 47.5 27.4 6.6 95 99 A R H >> + 0 0 63 2,-0.2 4,-3.6 -3,-0.2 5,-0.6 0.909 68.6 61.7 -58.7 -41.3 46.6 30.8 4.9 96 100 A F H >5S+ 0 0 116 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.927 113.8 39.2 -51.3 -42.1 49.0 30.0 2.0 97 101 A F H >5S+ 0 0 5 -3,-0.2 4,-1.5 2,-0.1 -2,-0.2 0.952 120.5 41.9 -69.5 -55.0 46.6 27.1 1.5 98 102 A W H X5S+ 0 0 4 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.852 109.3 55.5 -67.9 -36.6 43.3 28.8 2.2 99 103 A E H X5S+ 0 0 104 -4,-3.6 4,-2.9 1,-0.2 -1,-0.2 0.937 109.3 48.6 -61.7 -43.3 43.9 32.1 0.4 100 104 A E H X<>S+ 0 0 2 -4,-1.5 5,-2.3 2,-0.2 3,-1.2 0.935 111.1 52.4 -71.1 -42.4 41.6 28.2 -2.5 102 106 A L H ><5S+ 0 0 13 -4,-3.3 3,-2.4 1,-0.3 -2,-0.2 0.949 103.7 59.9 -53.7 -47.3 39.4 31.2 -1.6 103 107 A H H 3<5S+ 0 0 152 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.750 106.1 47.1 -47.6 -31.1 40.8 32.9 -4.8 104 108 A H T <<5S- 0 0 35 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.179 123.9 -98.8-103.5 16.5 39.3 30.1 -6.9 105 109 A G T < 5S+ 0 0 11 -3,-2.4 2,-1.5 1,-0.2 3,-0.3 0.553 78.6 136.6 82.8 8.0 35.9 30.1 -5.3 106 110 A I < + 0 0 4 -5,-2.3 -1,-0.2 1,-0.2 23,-0.1 -0.574 29.9 120.8 -90.3 78.0 36.4 27.2 -2.9 107 111 A R + 0 0 54 -2,-1.5 -19,-2.6 21,-0.8 2,-0.6 0.872 57.9 40.9-110.8 -55.8 34.8 28.8 0.1 108 112 A H E S+CD 87 128A 14 20,-2.8 20,-2.3 -3,-0.3 2,-0.3 -0.906 71.6 172.0-107.5 116.6 31.8 26.9 1.6 109 113 A G E -CD 86 127A 0 -23,-2.5 -23,-2.9 -2,-0.6 2,-0.4 -0.874 28.3-158.7-128.7 158.3 32.2 23.2 1.8 110 114 A W E -CD 85 126A 3 16,-2.2 16,-2.4 -2,-0.3 2,-0.4 -0.991 20.3-173.7-133.2 118.7 30.5 20.1 3.1 111 115 A S E -CD 84 125A 1 -27,-3.0 -27,-2.7 -2,-0.4 14,-0.2 -0.970 11.7-169.6-124.4 135.6 32.7 17.0 3.6 112 116 A I E - 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0 0 105 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.260 29.1-125.0 -61.9 142.3 56.5 -27.0 15.6 200 204 A Q H 3> S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 111.0 61.1 -48.2 -39.9 58.6 -24.0 14.9 201 205 A R H 3> S+ 0 0 192 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 106.1 46.9 -64.4 -33.4 59.1 -25.2 11.3 202 206 A T H <> S+ 0 0 41 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.888 107.3 54.4 -75.5 -42.4 55.3 -25.1 10.7 203 207 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.958 112.8 46.1 -50.3 -51.6 54.9 -21.7 12.2 204 208 A K H X S+ 0 0 114 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.942 106.8 57.8 -55.7 -51.4 57.6 -20.6 9.6 205 209 A F H X S+ 0 0 125 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.896 110.5 43.3 -45.0 -48.7 55.9 -22.5 6.8 206 210 A H H X S+ 0 0 33 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.844 113.0 48.9 -74.7 -34.8 52.7 -20.5 7.2 207 211 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.916 108.5 54.3 -70.4 -43.6 54.3 -17.1 7.7 208 212 A V H X S+ 0 0 62 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.927 111.8 45.9 -52.6 -47.1 56.5 -17.5 4.6 209 213 A N H X S+ 0 0 23 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.840 111.2 51.3 -63.1 -37.4 53.3 -18.3 2.6 210 214 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.858 109.6 51.6 -69.7 -33.1 51.5 -15.3 4.2 211 215 A M H <>S+ 0 0 31 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.921 109.8 48.5 -66.5 -45.6 54.4 -13.2 3.2 212 216 A R H ><5S+ 0 0 152 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.910 111.7 48.6 -63.7 -44.3 54.3 -14.4 -0.4 213 217 A K H 3<5S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.0 43.0 -61.9 -39.7 50.5 -13.9 -0.8 214 218 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.215 111.6-124.2 -92.0 12.5 50.8 -10.3 0.7 215 219 A N T < 5 + 0 0 133 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.861 58.8 147.1 44.1 52.4 53.8 -9.7 -1.4 216 220 A S < - 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