==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-AUG-07 2QVG . COMPND 2 MOLECULE: TWO COMPONENT RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. . AUTHOR R.TYAGI,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 7 A K 0 0 107 0, 0.0 2,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 -87.0 36.8 17.0 13.1 2 8 A V - 0 0 12 1,-0.2 53,-0.6 51,-0.1 28,-0.2 -0.770 360.0-171.1 -91.0 132.2 33.8 15.2 11.7 3 9 A D S S+ 0 0 31 26,-2.0 53,-2.0 -2,-0.4 52,-0.7 0.880 71.6 21.4 -87.7 -43.6 31.8 17.2 9.2 4 10 A I E -ab 30 56A 1 25,-2.3 27,-2.8 51,-0.2 2,-0.6 -0.987 55.6-160.0-133.3 134.8 28.8 14.9 8.8 5 11 A L E -ab 31 57A 0 51,-2.4 53,-2.5 -2,-0.4 2,-0.6 -0.965 21.3-162.0-109.6 113.8 27.4 12.2 11.0 6 12 A Y E -ab 32 58A 1 25,-3.0 27,-2.5 -2,-0.6 2,-0.9 -0.892 9.3-153.1-104.2 116.4 25.2 10.0 8.7 7 13 A L E +ab 33 59A 0 51,-2.8 53,-2.0 -2,-0.6 2,-0.3 -0.806 45.7 128.6 -89.7 106.7 22.6 7.7 10.4 8 14 A E - 0 0 1 25,-2.1 27,-0.1 -2,-0.9 -2,-0.1 -0.975 39.6-174.8-159.8 140.8 22.2 4.9 7.9 9 15 A D + 0 0 72 -2,-0.3 2,-0.7 51,-0.1 25,-0.1 0.353 60.0 101.4-121.7 4.6 22.3 1.1 8.0 10 16 A D > - 0 0 71 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.812 61.9-152.3 -90.8 115.9 22.0 0.4 4.3 11 17 A E H > S+ 0 0 96 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.773 93.9 51.0 -60.8 -28.9 25.5 -0.5 3.0 12 18 A V H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.916 109.1 50.4 -75.1 -41.5 24.7 0.7 -0.5 13 19 A D H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.888 110.3 52.5 -60.2 -39.3 23.4 4.0 0.7 14 20 A I H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.948 112.5 42.5 -62.5 -49.4 26.5 4.4 2.8 15 21 A Q H X S+ 0 0 92 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.896 115.0 51.6 -64.7 -39.8 28.8 3.8 -0.2 16 22 A S H X S+ 0 0 49 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.930 112.1 43.9 -63.9 -48.1 26.7 6.0 -2.4 17 23 A V H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.906 114.4 49.9 -65.6 -41.7 26.6 9.0 -0.1 18 24 A E H X S+ 0 0 62 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.890 111.5 49.9 -64.5 -37.2 30.3 8.7 0.7 19 25 A R H X S+ 0 0 126 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.904 108.6 51.3 -68.2 -42.0 31.2 8.5 -3.0 20 26 A V H X S+ 0 0 33 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.937 116.1 40.9 -61.3 -46.4 29.1 11.6 -4.0 21 27 A F H >X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 3,-1.0 0.878 110.0 59.3 -69.7 -35.5 30.8 13.7 -1.3 22 28 A H H 3< S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 99.3 57.5 -61.9 -33.7 34.2 12.2 -2.1 23 29 A K H 3< S+ 0 0 165 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.739 110.7 44.0 -69.1 -22.3 33.9 13.4 -5.7 24 30 A I H << S- 0 0 41 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.882 137.7 -17.5 -85.9 -45.6 33.5 17.0 -4.2 25 31 A S >< - 0 0 34 -4,-2.7 3,-0.9 3,-0.1 -1,-0.3 -0.919 40.5-149.9-163.7 135.3 36.3 16.6 -1.7 26 32 A S T 3 S+ 0 0 90 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 0.510 100.2 66.3 -81.3 -3.0 38.2 13.7 -0.1 27 33 A L T 3 + 0 0 133 -5,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.378 68.3 104.7 -99.0 1.1 38.5 16.0 3.0 28 34 A I < - 0 0 18 -3,-0.9 2,-0.7 -7,-0.2 -3,-0.1 -0.781 69.1-144.0 -82.7 113.3 34.8 16.0 3.9 29 35 A K - 0 0 128 -2,-0.8 -25,-2.3 -28,-0.2 -26,-2.0 -0.738 20.2-175.5 -89.1 115.5 34.8 13.7 6.9 30 36 A I E -a 4 0A 31 -2,-0.7 2,-0.4 -27,-0.2 -25,-0.2 -0.933 6.6-165.3-112.9 129.3 31.8 11.5 7.2 31 37 A E E -a 5 0A 77 -27,-2.8 -25,-3.0 -2,-0.5 2,-0.5 -0.891 14.2-139.8-110.7 143.4 31.1 9.2 10.1 32 38 A I E -a 6 0A 24 -2,-0.4 2,-0.5 -27,-0.2 -25,-0.2 -0.901 14.9-173.0-109.8 130.5 28.5 6.5 9.9 33 39 A A E -a 7 0A 0 -27,-2.5 -25,-2.1 -2,-0.5 3,-0.0 -0.987 8.0-163.3-116.7 126.5 26.1 5.5 12.8 34 40 A K S S+ 0 0 93 -2,-0.5 2,-0.3 -27,-0.2 -27,-0.1 0.316 73.2 18.6 -95.9 10.5 24.0 2.4 12.0 35 41 A S S > S- 0 0 37 1,-0.1 4,-1.9 -27,-0.1 5,-0.1 -0.956 81.1-107.6-165.7 162.2 21.5 3.0 14.7 36 42 A G H > S+ 0 0 14 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.892 119.5 57.2 -64.9 -38.2 20.2 5.9 16.9 37 43 A N H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 108.3 45.4 -57.5 -45.6 22.0 4.2 19.8 38 44 A Q H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 108.4 56.7 -68.7 -36.4 25.3 4.3 18.1 39 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.941 110.4 44.8 -60.4 -45.6 24.9 7.9 16.9 40 46 A L H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.896 109.6 55.5 -65.6 -39.4 24.4 8.9 20.6 41 47 A D H X>S+ 0 0 19 -4,-2.1 5,-2.2 1,-0.2 4,-1.3 0.889 110.2 46.4 -59.7 -38.0 27.4 6.8 21.6 42 48 A X H <5S+ 0 0 9 -4,-2.2 10,-2.1 2,-0.2 -1,-0.2 0.870 111.8 50.1 -72.3 -37.3 29.5 8.6 19.1 43 49 A L H <5S+ 0 0 2 -4,-2.1 -2,-0.2 8,-0.2 -1,-0.2 0.798 120.3 36.5 -71.0 -28.6 28.2 12.0 20.2 44 50 A Y H <5S- 0 0 68 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.581 106.7-124.7 -99.0 -12.7 28.9 11.2 23.9 45 51 A G T <5 + 0 0 32 -4,-1.3 6,-0.2 5,-0.3 2,-0.2 0.939 65.8 122.6 68.6 50.4 32.1 9.2 23.3 46 52 A R > < + 0 0 110 -5,-2.2 3,-1.9 1,-0.2 -1,-0.2 -0.761 41.0 44.5-133.1 176.9 31.0 6.0 25.1 47 53 A N T 3 S- 0 0 110 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.896 133.2 -52.1 50.8 46.5 30.6 2.3 24.4 48 54 A K T 3 S+ 0 0 195 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.497 109.8 126.9 71.3 6.7 33.9 2.1 22.6 49 55 A E < - 0 0 49 -3,-1.9 2,-0.3 -8,-0.1 -1,-0.2 -0.762 61.6-123.2 -96.8 140.8 33.1 5.0 20.3 50 56 A N - 0 0 138 -2,-0.4 -5,-0.3 -3,-0.1 -4,-0.1 -0.653 36.6-104.4 -81.1 134.7 35.4 8.0 20.0 51 57 A K - 0 0 127 -2,-0.3 2,-0.3 -6,-0.2 -8,-0.2 -0.372 43.7-173.1 -63.2 130.5 33.7 11.3 20.7 52 58 A I - 0 0 16 -10,-2.1 -7,-0.1 -2,-0.1 -47,-0.0 -0.903 22.9-155.5-125.8 155.2 32.8 13.3 17.7 53 59 A H - 0 0 126 -2,-0.3 -51,-0.1 -49,-0.0 2,-0.1 -0.739 23.5-170.3-128.7 79.9 31.5 16.9 17.1 54 60 A P - 0 0 6 0, 0.0 -51,-0.2 0, 0.0 -50,-0.2 -0.402 23.6-147.3 -74.3 149.2 29.8 16.9 13.7 55 61 A K S S+ 0 0 81 -52,-0.7 30,-2.2 -53,-0.6 2,-0.3 0.839 85.7 25.7 -80.0 -35.7 28.6 20.1 12.1 56 62 A L E -bc 4 85A 3 -53,-2.0 -51,-2.4 28,-0.2 2,-0.5 -0.961 63.4-152.6-131.7 148.1 25.7 18.3 10.4 57 63 A I E -bc 5 86A 0 28,-2.5 30,-2.7 -2,-0.3 2,-0.6 -0.984 9.7-161.5-119.0 125.9 23.6 15.2 11.0 58 64 A L E -bc 6 87A 4 -53,-2.5 -51,-2.8 -2,-0.5 2,-0.6 -0.953 12.4-165.7-108.0 118.0 22.1 13.5 8.0 59 65 A L E -bc 7 88A 0 28,-2.7 30,-3.1 -2,-0.6 2,-0.9 -0.919 15.8-148.8-114.5 117.5 19.3 11.2 9.1 60 66 A D E > - c 0 89A 1 -53,-2.0 3,-0.6 -2,-0.6 30,-0.2 -0.721 15.1-175.0 -81.3 109.5 17.8 8.5 6.8 61 67 A I T 3 + 0 0 34 28,-2.0 -1,-0.1 -2,-0.9 29,-0.1 0.261 66.3 83.1 -91.6 13.7 14.2 8.4 8.0 62 68 A N T 3 + 0 0 58 27,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.172 64.9 99.8 -98.6 15.8 13.2 5.5 5.8 63 69 A I X - 0 0 16 -3,-0.6 3,-1.8 3,-0.3 5,-0.2 -0.830 54.6-168.6-107.0 94.5 14.5 3.0 8.3 64 70 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.804 87.3 53.8 -48.3 -38.3 11.5 1.6 10.3 65 71 A K T 3 S+ 0 0 205 1,-0.2 2,-0.8 -3,-0.1 -2,-0.0 0.688 100.1 67.9 -74.6 -19.1 13.8 -0.1 12.8 66 72 A X S < S- 0 0 13 -3,-1.8 2,-1.3 -6,-0.1 -3,-0.3 -0.874 78.8-148.5-106.4 102.9 15.7 3.1 13.5 67 73 A N > + 0 0 79 -2,-0.8 4,-1.8 1,-0.2 5,-0.1 -0.555 18.1 179.7 -73.4 94.4 13.4 5.6 15.2 68 74 A G H > S+ 0 0 9 -2,-1.3 4,-2.9 1,-0.2 5,-0.2 0.840 77.6 57.0 -64.8 -34.8 14.7 8.9 13.9 69 75 A I H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 107.3 46.8 -64.8 -43.1 12.1 10.9 15.9 70 76 A E H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 113.6 50.3 -65.8 -37.8 13.2 9.4 19.3 71 77 A F H X S+ 0 0 6 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.960 112.7 45.1 -62.9 -51.6 16.8 10.1 18.3 72 78 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.852 109.7 56.0 -61.5 -36.3 16.1 13.7 17.4 73 79 A K H < S+ 0 0 116 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.937 112.2 41.9 -62.6 -45.0 14.0 14.2 20.5 74 80 A E H >< S+ 0 0 87 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.897 112.8 54.3 -68.6 -40.1 16.9 13.1 22.7 75 81 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 6,-0.3 0.933 108.9 48.4 -57.9 -47.9 19.4 15.1 20.6 76 82 A R T 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.538 102.3 63.3 -73.2 -6.8 17.4 18.3 21.0 77 83 A D T < S+ 0 0 138 -3,-0.9 2,-0.6 -4,-0.5 -1,-0.2 0.519 91.9 73.2 -93.0 -7.0 17.1 17.8 24.8 78 84 A D S X S- 0 0 37 -3,-1.3 3,-1.9 -4,-0.5 4,-0.1 -0.940 71.1-153.1-111.0 116.6 20.8 18.1 25.3 79 85 A S G > S+ 0 0 101 -2,-0.6 3,-1.0 1,-0.3 4,-0.3 0.624 87.8 76.6 -63.1 -14.6 22.2 21.7 24.8 80 86 A S G 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.749 100.1 44.3 -67.5 -20.2 25.6 20.4 23.8 81 87 A F G X S+ 0 0 11 -3,-1.9 3,-1.7 -6,-0.3 -1,-0.2 0.314 77.2 108.2-107.6 8.7 24.0 19.6 20.4 82 88 A T T < S+ 0 0 80 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.839 80.3 50.8 -54.0 -37.9 22.0 22.8 19.8 83 89 A D T 3 S+ 0 0 146 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.506 83.2 105.5 -82.5 -4.4 24.4 24.0 17.1 84 90 A I < - 0 0 14 -3,-1.7 2,-0.3 -28,-0.1 -28,-0.2 -0.656 66.3-141.3 -78.5 125.9 24.3 20.7 15.1 85 91 A E E -c 56 0A 42 -30,-2.2 -28,-2.5 -2,-0.5 2,-0.4 -0.706 14.8-149.7 -88.9 140.4 22.2 21.2 12.0 86 92 A V E -c 57 0A 0 19,-0.4 21,-1.7 -2,-0.3 22,-1.1 -0.928 16.0-177.4-119.5 134.6 20.0 18.3 10.9 87 93 A F E -cd 58 108A 8 -30,-2.7 -28,-2.7 -2,-0.4 2,-0.4 -0.986 17.8-144.4-123.9 133.4 18.8 17.2 7.5 88 94 A V E -cd 59 109A 0 20,-2.0 22,-2.8 -2,-0.4 2,-0.4 -0.815 10.8-154.5 -99.1 141.8 16.4 14.3 7.0 89 95 A L E +cd 60 110A 1 -30,-3.1 -28,-2.0 -2,-0.4 -27,-0.4 -0.966 25.0 155.0-117.8 129.7 16.9 12.1 4.0 90 96 A T E - d 0 111A 1 20,-2.3 22,-2.6 -2,-0.4 3,-0.2 -0.988 50.9-135.9-154.1 158.8 14.0 10.1 2.5 91 97 A A S S+ 0 0 66 -2,-0.3 2,-0.2 1,-0.3 20,-0.1 0.490 106.7 25.8 -90.6 -6.9 12.6 8.5 -0.6 92 98 A A - 0 0 56 2,-0.0 2,-0.7 -3,-0.0 -1,-0.3 -0.740 68.6-162.1-159.6 104.3 9.2 10.1 0.3 93 99 A Y - 0 0 69 -3,-0.2 2,-0.2 -2,-0.2 18,-0.0 -0.812 26.9-170.3 -91.9 115.4 8.8 13.2 2.4 94 100 A T > - 0 0 64 -2,-0.7 4,-2.3 1,-0.1 5,-0.1 -0.495 40.4-106.8-106.3 172.0 5.2 13.3 3.7 95 101 A S H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 122.0 56.1 -60.8 -36.0 2.7 15.6 5.4 96 102 A K H > S+ 0 0 156 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 106.3 49.0 -62.8 -43.6 3.2 13.4 8.5 97 103 A D H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 108.6 54.1 -61.3 -45.6 6.9 14.0 8.4 98 104 A K H X S+ 0 0 131 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.943 111.4 44.2 -54.2 -51.5 6.4 17.7 8.1 99 105 A L H >< S+ 0 0 132 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.901 112.9 52.6 -61.0 -41.9 4.2 17.8 11.2 100 106 A A H 3< S+ 0 0 34 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.837 111.9 42.1 -65.7 -36.3 6.6 15.5 13.1 101 107 A F H ><>S+ 0 0 11 -4,-2.3 3,-1.5 1,-0.2 5,-0.6 0.512 84.2 99.8 -92.1 -3.2 9.8 17.6 12.6 102 108 A E T <<5S+ 0 0 144 -4,-0.8 3,-0.4 -3,-0.5 -1,-0.2 0.838 92.4 32.7 -50.0 -43.0 8.2 21.0 13.1 103 109 A S T 3 5S+ 0 0 108 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.302 102.9 77.0-101.1 10.3 9.5 21.4 16.7 104 110 A L T < 5S- 0 0 14 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.1 0.282 99.5-121.2-101.4 10.3 12.7 19.5 16.3 105 111 A N T 5 + 0 0 89 -3,-0.4 2,-0.5 -4,-0.2 -19,-0.4 0.947 43.5 175.5 48.8 63.2 14.6 22.3 14.5 106 112 A I < - 0 0 31 -5,-0.6 -1,-0.2 1,-0.1 -19,-0.2 -0.862 27.0-147.5 -98.2 127.8 15.4 20.4 11.3 107 113 A R - 0 0 118 -21,-1.7 2,-0.3 -2,-0.5 -20,-0.2 0.812 65.0 -47.1 -66.7 -30.1 17.1 22.6 8.7 108 114 A G E -d 87 0A 20 -22,-1.1 -20,-2.0 -3,-0.1 2,-0.3 -0.986 49.9-100.7 176.1 175.8 15.6 20.8 5.8 109 115 A H E -d 88 0A 86 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.905 22.7-155.1-120.9 150.6 14.8 17.6 4.0 110 116 A L E -d 89 0A 4 -22,-2.8 -20,-2.3 -2,-0.3 2,-0.5 -0.975 12.6-136.0-125.8 139.3 16.5 15.9 1.1 111 117 A I E -d 90 0A 74 -2,-0.4 -20,-0.2 -22,-0.2 7,-0.1 -0.825 44.5 -75.9 -98.6 128.0 14.9 13.5 -1.4 112 118 A K S S+ 0 0 50 -22,-2.6 2,-0.1 -2,-0.5 -1,-0.0 -0.298 106.0 54.9 -62.8 147.6 16.8 10.4 -2.3 113 119 A P S S- 0 0 101 0, 0.0 2,-1.4 0, 0.0 5,-0.2 0.521 76.0-143.8 -81.7 151.2 19.1 9.9 -4.0 114 120 A L + 0 0 11 -2,-0.1 -94,-0.1 -4,-0.1 -2,-0.1 -0.663 39.0 172.5 -78.8 96.9 21.5 12.3 -2.4 115 121 A D > - 0 0 75 -2,-1.4 4,-2.7 -95,-0.1 3,-0.3 -0.226 49.2 -75.6 -97.8-172.7 23.3 13.4 -5.5 116 122 A Y H > S+ 0 0 148 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.889 126.9 56.0 -51.4 -47.2 25.8 16.1 -6.4 117 123 A G H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.901 113.1 40.2 -54.6 -45.2 23.2 18.9 -6.3 118 124 A E H > S+ 0 0 29 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.901 115.7 51.5 -71.4 -41.7 22.2 18.0 -2.7 119 125 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 108.2 49.6 -64.5 -43.3 25.8 17.3 -1.6 120 126 A I H X S+ 0 0 31 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.859 107.8 55.7 -66.5 -31.4 27.3 20.6 -2.9 121 127 A K H X S+ 0 0 96 -4,-1.2 4,-1.3 -5,-0.3 -1,-0.2 0.923 110.6 45.1 -64.1 -42.0 24.4 22.4 -1.1 122 128 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.862 107.1 59.3 -69.2 -35.8 25.5 20.8 2.1 123 129 A F H X S+ 0 0 38 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.914 106.2 47.3 -59.3 -43.0 29.1 21.5 1.4 124 130 A W H X S+ 0 0 157 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.833 109.1 54.1 -70.0 -29.7 28.4 25.2 1.3 125 131 A I H X S+ 0 0 14 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.908 106.7 52.5 -68.0 -39.9 26.4 25.0 4.5 126 132 A L H < S+ 0 0 3 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.933 113.9 43.4 -59.2 -44.8 29.4 23.3 6.1 127 133 A Q H < S+ 0 0 112 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.955 112.8 50.2 -65.0 -52.4 31.6 26.2 5.0 128 134 A S H < 0 0 83 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.733 360.0 360.0 -58.7 -30.4 29.1 28.9 5.9 129 135 A X < 0 0 78 -4,-2.0 -1,-0.3 -5,-0.2 -3,-0.1 -0.036 360.0 360.0 -59.3 360.0 28.9 27.3 9.3