==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-OCT-12 4HFV . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR K.MICHALSKA,X.XU,H.CUI,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST CENT . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 1 0.5 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 . 11 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL 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 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 1 A X 0 0 145 0, 0.0 2,-0.3 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 118.2 0.4 13.2 14.0 2 2 A S B -a 115 0A 65 112,-1.0 114,-0.8 115,-0.1 2,-0.5 -0.938 360.0-122.3-142.2 160.4 -2.2 10.5 14.9 3 3 A F - 0 0 14 -2,-0.3 2,-0.6 112,-0.2 112,-0.1 -0.909 11.3-151.4-114.2 126.5 -3.1 7.0 13.8 4 4 A E - 0 0 159 -2,-0.5 2,-0.1 106,-0.1 111,-0.0 -0.802 29.2-119.1 -88.8 125.8 -6.5 5.9 12.5 5 5 A L - 0 0 41 -2,-0.6 2,-0.4 1,-0.1 69,-0.1 -0.389 24.6-121.5 -61.6 136.2 -7.2 2.2 13.3 6 6 A V - 0 0 16 67,-0.2 71,-0.2 1,-0.1 -1,-0.1 -0.651 39.7 -97.2 -73.2 135.2 -7.7 0.1 10.1 7 7 A A > - 0 0 68 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.151 34.1-120.8 -53.7 141.6 -11.1 -1.5 10.3 8 8 A Y H > S+ 0 0 10 61,-0.3 4,-3.0 1,-0.2 5,-0.3 0.900 105.7 48.6 -56.1 -49.5 -10.9 -5.1 11.6 9 9 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 114.1 47.1 -60.9 -43.4 -12.3 -7.1 8.6 10 10 A K H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 114.5 46.3 -61.5 -46.2 -10.1 -5.2 6.1 11 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.901 110.8 52.3 -65.5 -43.9 -7.0 -5.7 8.2 12 12 A K H X S+ 0 0 44 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.927 111.1 50.0 -53.1 -48.3 -7.7 -9.3 8.8 13 13 A G H X S+ 0 0 39 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.917 112.2 43.9 -60.2 -44.6 -8.1 -9.7 5.0 14 14 A S H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.883 113.3 51.3 -77.7 -28.7 -4.8 -8.0 4.1 15 15 A I H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.917 110.7 48.7 -69.1 -40.4 -2.9 -9.8 6.8 16 16 A R H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.911 111.0 52.0 -64.7 -37.8 -4.2 -13.1 5.6 17 17 A E H X S+ 0 0 106 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 109.0 48.9 -65.9 -42.2 -3.3 -12.1 2.0 18 18 A S H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.831 109.4 52.8 -66.5 -30.1 0.3 -11.2 3.0 19 19 A I H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.946 108.5 49.8 -70.6 -46.5 0.6 -14.6 4.8 20 20 A I H X S+ 0 0 23 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.889 111.6 49.2 -53.1 -41.8 -0.5 -16.4 1.7 21 21 A T H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 109.8 51.3 -68.8 -43.0 2.1 -14.5 -0.3 22 22 A L H X S+ 0 0 28 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.912 111.4 47.9 -56.8 -46.4 4.8 -15.3 2.2 23 23 A I H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-1.1 0.940 112.7 47.9 -59.8 -47.8 3.9 -19.0 2.0 24 24 A K H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 98.7 68.1 -69.0 -25.9 4.0 -18.9 -1.8 25 25 A S H 3< S+ 0 0 90 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.748 111.4 35.4 -65.8 -24.4 7.3 -17.0 -1.9 26 26 A H H << S+ 0 0 132 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.817 136.8 17.5 -90.7 -38.3 8.9 -20.3 -0.5 27 27 A N >< - 0 0 51 -4,-2.1 3,-2.0 -5,-0.1 -1,-0.3 -0.869 60.0-168.3-142.3 104.8 6.6 -22.7 -2.4 28 28 A E T 3 S+ 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.726 91.0 52.7 -71.3 -20.2 4.7 -21.5 -5.4 29 29 A K T 3 S+ 0 0 168 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.350 75.1 142.9 -95.4 8.9 2.6 -24.7 -5.4 30 30 A A < - 0 0 12 -3,-2.0 2,-0.9 -7,-0.1 -6,-0.1 -0.153 51.1-131.7 -53.9 135.8 1.5 -24.6 -1.8 31 31 A K - 0 0 148 2,-0.0 2,-0.6 9,-0.0 -1,-0.1 -0.823 22.7-153.9 -95.3 108.6 -2.0 -25.8 -1.4 32 32 A I - 0 0 28 -2,-0.9 2,-0.8 8,-0.0 5,-0.1 -0.725 6.9-155.8 -85.6 117.7 -3.8 -23.2 0.7 33 33 A I > - 0 0 68 -2,-0.6 3,-1.8 3,-0.3 6,-0.2 -0.846 14.7-145.1 -89.3 114.0 -6.8 -24.4 2.6 34 34 A E G > S+ 0 0 157 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.901 96.1 36.9 -45.4 -57.2 -8.8 -21.3 3.2 35 35 A D G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.433 121.0 49.7 -84.8 8.9 -10.2 -22.1 6.6 36 36 A K G X + 0 0 88 -3,-1.8 3,-1.7 1,-0.1 4,-0.4 -0.218 59.0 145.3-136.9 48.0 -6.9 -23.7 7.7 37 37 A L G X + 0 0 1 -3,-0.7 3,-1.9 1,-0.3 4,-0.3 0.838 66.2 69.3 -57.8 -31.5 -4.2 -21.3 6.8 38 38 A E G > S+ 0 0 51 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.780 86.9 66.0 -60.3 -27.8 -2.1 -22.3 9.9 39 39 A Y G < S+ 0 0 148 -3,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.673 99.8 52.5 -65.6 -19.5 -1.4 -25.8 8.3 40 40 A S G X S+ 0 0 10 -3,-1.9 3,-2.0 -4,-0.4 -1,-0.2 0.425 80.7 94.6 -93.3 -2.8 0.7 -24.0 5.6 41 41 A V G X + 0 0 14 -3,-1.3 3,-2.0 1,-0.3 -1,-0.2 0.788 65.2 76.7 -66.5 -27.6 2.8 -22.1 8.1 42 42 A K G 3 S+ 0 0 155 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.722 85.5 67.6 -51.3 -20.4 5.4 -24.8 7.9 43 43 A E G < S+ 0 0 38 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.727 88.3 76.5 -77.0 -20.8 6.4 -23.2 4.5 44 44 A V S < S- 0 0 10 -3,-2.0 5,-0.1 -4,-0.2 -21,-0.1 -0.385 97.2 -76.8 -90.5 165.2 7.7 -19.9 6.0 45 45 A S >> - 0 0 63 1,-0.1 4,-1.9 -2,-0.1 3,-0.5 -0.186 40.2-112.6 -60.5 155.0 11.0 -19.4 7.8 46 46 A R T 34 S+ 0 0 175 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.924 119.4 54.3 -56.2 -39.9 11.5 -20.6 11.4 47 47 A E T 3> S+ 0 0 108 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.879 111.6 41.3 -60.0 -42.4 11.7 -16.9 12.4 48 48 A R H <> S+ 0 0 20 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.714 95.5 84.1 -80.7 -21.0 8.3 -15.9 10.8 49 49 A Q H X S+ 0 0 39 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.931 92.9 40.9 -53.3 -53.1 6.5 -19.0 11.9 50 50 A P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.856 113.8 53.9 -70.2 -28.8 5.5 -17.9 15.4 51 51 A Q H X S+ 0 0 29 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.937 111.5 45.9 -65.2 -42.8 4.7 -14.4 14.2 52 52 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.938 113.1 48.6 -64.5 -44.3 2.3 -15.8 11.6 53 53 A L H X S+ 0 0 41 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.889 110.9 51.0 -66.1 -36.3 0.7 -18.3 14.1 54 54 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.942 111.1 48.2 -66.4 -41.3 0.2 -15.5 16.7 55 55 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.934 115.2 44.8 -60.7 -48.1 -1.4 -13.3 14.1 56 56 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.844 113.8 48.5 -66.6 -39.0 -3.7 -16.1 12.9 57 57 A K H X S+ 0 0 52 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.920 110.9 52.3 -66.2 -39.8 -4.6 -17.3 16.5 58 58 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.948 110.4 47.9 -58.6 -48.5 -5.3 -13.6 17.3 59 59 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.915 111.0 50.0 -60.3 -45.6 -7.7 -13.4 14.4 60 60 A E H X S+ 0 0 77 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.892 113.2 47.2 -56.9 -41.6 -9.4 -16.7 15.2 61 61 A L H < S+ 0 0 24 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.941 112.7 47.0 -73.5 -43.8 -10.0 -15.6 18.8 62 62 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.2 5,-0.3 0.924 109.5 55.2 -60.5 -42.2 -11.3 -12.1 17.9 63 63 A D H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.878 112.3 43.6 -56.9 -39.2 -13.6 -13.7 15.3 64 64 A N T 3< S+ 0 0 126 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.388 100.6 99.4 -84.4 -1.2 -15.0 -15.9 18.1 65 65 A S S < S- 0 0 41 -3,-1.5 -3,-0.1 -4,-0.3 7,-0.0 -0.351 74.3-133.1 -86.7 169.4 -15.2 -13.0 20.6 66 66 A S + 0 0 120 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.1 0.156 63.0 135.1 -97.2 12.9 -18.1 -10.8 21.6 67 67 A K - 0 0 64 -5,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.275 60.0-111.5 -66.9 148.1 -16.0 -7.7 21.1 68 68 A E >> - 0 0 142 1,-0.1 4,-2.4 4,-0.0 3,-0.8 -0.427 36.0-103.0 -73.8 154.6 -17.2 -4.6 19.3 69 69 A P H 3> S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 -61,-0.3 0.821 119.2 50.8 -53.4 -37.9 -15.6 -3.8 16.0 70 70 A E H 3> S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.875 110.9 48.0 -70.2 -35.5 -13.4 -1.0 17.2 71 71 A D H <> S+ 0 0 50 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.917 112.1 50.3 -70.4 -41.1 -12.0 -3.1 20.1 72 72 A K H X S+ 0 0 33 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.941 112.5 48.0 -56.7 -46.2 -11.4 -6.0 17.7 73 73 A A H X S+ 0 0 5 -4,-2.5 4,-3.3 -5,-0.3 5,-0.4 0.931 107.7 54.7 -63.1 -43.5 -9.6 -3.5 15.4 74 74 A R H X S+ 0 0 60 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 110.4 46.6 -58.4 -44.9 -7.5 -2.0 18.2 75 75 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.945 115.6 43.3 -60.2 -50.9 -6.2 -5.5 19.1 76 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.933 114.9 49.3 -67.1 -43.0 -5.4 -6.6 15.6 77 77 A N H X S+ 0 0 0 -4,-3.3 4,-3.0 -5,-0.2 5,-0.2 0.937 111.2 51.4 -56.9 -48.0 -3.8 -3.2 14.6 78 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.4 -1,-0.2 0.918 111.2 46.1 -55.2 -49.4 -1.7 -3.3 17.8 79 79 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.900 113.3 48.8 -64.1 -39.7 -0.4 -6.8 17.1 80 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.945 113.9 47.0 -64.2 -45.5 0.4 -6.0 13.5 81 81 A Y H X S+ 0 0 26 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.926 113.2 49.3 -60.1 -45.2 2.2 -2.8 14.6 82 82 A Y H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.909 112.2 46.0 -60.5 -47.3 4.1 -4.7 17.3 83 83 A I H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.923 110.5 54.6 -66.7 -39.5 5.2 -7.5 15.0 84 84 A R H X S+ 0 0 33 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.938 109.7 47.4 -53.0 -47.4 6.3 -4.9 12.4 85 85 A D H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.898 107.4 56.6 -64.5 -36.8 8.4 -3.2 15.1 86 86 A Q H X S+ 0 0 55 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.892 109.0 46.6 -60.9 -38.9 9.9 -6.6 16.1 87 87 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.916 108.5 54.8 -70.3 -43.3 11.0 -7.1 12.5 88 88 A A H >< S+ 0 0 26 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.888 102.0 59.1 -56.3 -36.9 12.4 -3.6 12.3 89 89 A A H 3< S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.728 95.9 62.5 -67.7 -20.5 14.5 -4.4 15.4 90 90 A T T << S+ 0 0 72 -3,-1.3 2,-0.6 -4,-0.5 -1,-0.3 0.518 89.0 80.3 -81.9 -5.4 16.2 -7.3 13.6 91 91 A Y < + 0 0 66 -3,-1.9 -1,-0.0 -4,-0.3 4,-0.0 -0.920 55.0 176.7-102.0 120.0 17.7 -4.8 11.0 92 92 A K S S- 0 0 164 -2,-0.6 -1,-0.1 3,-0.1 3,-0.1 0.597 75.9 -0.3-103.1 -16.2 20.8 -3.1 12.4 93 93 A Y S S+ 0 0 221 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.485 117.3 55.0-154.3 1.1 22.0 -1.1 9.5 94 94 A T S S- 0 0 90 1,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.759 92.6 -69.2-129.5 176.0 19.8 -1.4 6.3 95 95 A S > - 0 0 56 -2,-0.2 3,-1.8 1,-0.1 4,-0.1 -0.427 23.7-141.7 -72.9 137.2 16.1 -0.9 5.7 96 96 A P G > S+ 0 0 25 0, 0.0 3,-2.3 0, 0.0 7,-0.3 0.665 96.0 85.3 -66.1 -11.0 13.5 -3.3 7.2 97 97 A D G 3 + 0 0 80 1,-0.3 6,-0.2 5,-0.1 -2,-0.1 0.713 69.1 79.7 -60.3 -17.2 11.8 -2.7 3.8 98 98 A N G < S+ 0 0 108 -3,-1.8 2,-0.6 4,-0.1 -1,-0.3 0.739 80.5 75.7 -58.1 -24.3 14.1 -5.5 2.7 99 99 A S S <> S- 0 0 10 -3,-2.3 4,-2.4 1,-0.1 5,-0.1 -0.848 71.7-157.5 -90.2 115.8 11.5 -7.8 4.3 100 100 A D H > S+ 0 0 111 -2,-0.6 4,-2.0 2,-0.2 -1,-0.1 0.839 96.0 54.0 -58.8 -35.4 8.5 -8.2 2.0 101 101 A F H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 107.3 50.3 -68.7 -39.4 6.4 -9.2 5.1 102 102 A Y H > S+ 0 0 21 -6,-0.2 4,-2.2 1,-0.2 3,-0.2 0.951 110.3 49.8 -58.0 -50.2 7.5 -6.0 6.9 103 103 A K H X S+ 0 0 95 -4,-2.4 4,-2.2 -7,-0.3 -1,-0.2 0.874 108.2 53.7 -55.0 -41.2 6.5 -4.0 3.9 104 104 A S H X S+ 0 0 19 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.847 106.7 51.9 -65.4 -33.6 3.1 -5.7 3.8 105 105 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 -3,-0.2 -2,-0.2 0.926 108.3 50.6 -69.7 -40.3 2.5 -4.8 7.5 106 106 A T H <>S+ 0 0 25 -4,-2.2 5,-2.1 1,-0.2 4,-0.5 0.933 115.6 43.7 -59.0 -47.2 3.3 -1.1 6.7 107 107 A I H ><5S+ 0 0 131 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.912 110.8 53.0 -62.7 -46.5 0.8 -1.3 3.8 108 108 A S H 3<5S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.8 45.4 -60.6 -36.8 -1.9 -3.2 5.8 109 109 A L T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.546 105.9-130.8 -82.8 -10.6 -1.8 -0.6 8.5 110 110 A D T < 5 + 0 0 104 -3,-1.1 2,-0.2 -4,-0.5 -3,-0.2 0.831 41.1 179.0 59.3 39.0 -1.8 2.3 6.0 111 111 A L < + 0 0 17 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.456 10.2 144.8 -76.7 136.8 1.1 3.9 7.7 112 112 A N B > -B 115 0A 68 3,-2.0 3,-0.7 -2,-0.2 -5,-0.0 -0.938 64.0 -74.4-159.7 174.8 2.5 7.1 6.4 113 113 A K T 3 S+ 0 0 166 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.824 131.4 30.3 -49.9 -37.8 4.1 10.4 7.4 114 114 A D T 3 S+ 0 0 114 1,-0.2 -112,-1.0 -113,-0.1 2,-0.6 0.565 116.2 59.6-100.7 -11.3 0.8 11.8 8.7 115 115 A N B < S+aB 2 112A 24 -3,-0.7 -3,-2.0 -114,-0.1 -112,-0.2 -0.838 76.0 116.9-120.7 89.2 -0.9 8.6 9.7 116 116 A N - 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