==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-10 3N1U . COMPND 2 MOLECULE: HYDROLASE, HAD SUPERFAMILY, SUBFAMILY III A; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR U.A.RAMAGOPAL,R.TORO,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEAR . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.7 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 . 1 0.5 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 2 0 0 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A S > 0 0 101 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 176.2 21.2 5.9 30.5 2 3 A L H > + 0 0 131 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 360.0 51.8 -52.7 -46.4 25.0 5.5 30.4 3 4 A N H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 106.8 50.0 -64.6 -39.9 24.6 2.5 28.0 4 5 A T H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.832 110.8 51.7 -68.6 -33.7 22.4 4.3 25.4 5 6 A E H X S+ 0 0 130 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.937 111.3 47.0 -63.8 -51.8 24.9 7.3 25.3 6 7 A I H X S+ 0 0 78 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.951 115.5 44.9 -52.9 -53.3 27.8 4.9 24.7 7 8 A E H X S+ 0 0 128 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 112.1 51.8 -62.9 -42.7 25.9 3.1 22.0 8 9 A X H X S+ 0 0 92 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.920 112.3 47.3 -59.8 -41.7 24.7 6.3 20.4 9 10 A N H X S+ 0 0 93 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.905 109.9 51.5 -66.0 -40.7 28.3 7.6 20.4 10 11 A E H X S+ 0 0 121 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.883 111.6 48.3 -64.4 -36.2 29.7 4.3 18.9 11 12 A L H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 111.1 49.9 -68.1 -46.3 27.0 4.6 16.1 12 13 A L H X S+ 0 0 49 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.884 107.6 54.5 -58.3 -42.1 27.9 8.2 15.5 13 14 A E H X S+ 0 0 96 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.863 109.1 48.3 -61.3 -39.7 31.6 7.3 15.2 14 15 A K H >< S+ 0 0 73 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.932 113.1 47.7 -59.5 -46.4 30.8 4.7 12.5 15 16 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.773 100.0 66.8 -69.4 -30.1 28.7 7.2 10.6 16 17 A K H 3< S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 101.0 50.7 -60.3 -24.3 31.4 9.9 10.8 17 18 A K T << S+ 0 0 99 -3,-1.0 2,-0.2 -4,-0.5 -1,-0.2 0.525 80.0 124.0 -89.9 -8.8 33.7 7.8 8.6 18 19 A I < + 0 0 1 -3,-1.1 94,-0.2 -4,-0.3 93,-0.1 -0.359 20.3 160.0 -72.9 124.5 31.2 7.2 5.8 19 20 A K S S+ 0 0 120 92,-3.3 44,-1.9 1,-0.3 2,-0.3 0.466 71.2 29.7-115.9 -9.5 32.3 8.2 2.3 20 21 A C E -ab 63 112A 0 91,-1.5 93,-2.3 42,-0.2 2,-0.5 -0.942 62.2-155.0-150.0 129.3 29.8 6.0 0.4 21 22 A L E -ab 64 113A 0 42,-2.5 44,-2.6 -2,-0.3 2,-0.5 -0.925 13.7-162.0 -97.9 130.0 26.4 4.6 1.1 22 23 A I E -ab 65 114A 0 91,-2.5 93,-2.0 -2,-0.5 2,-0.4 -0.930 8.8-167.4-109.6 131.1 25.4 1.4 -0.7 23 24 A C E -ab 66 115A 0 42,-2.8 44,-1.9 -2,-0.5 2,-0.2 -0.947 17.5-139.5-117.4 144.4 21.7 0.4 -0.9 24 25 A D - 0 0 7 91,-1.8 5,-0.4 -2,-0.4 44,-0.2 -0.481 20.8-142.7 -79.5 162.4 20.0 -2.7 -1.9 25 26 A V S >>>S+ 0 0 0 42,-0.3 3,-2.2 3,-0.2 4,-2.1 0.864 72.6 57.7 -92.6 -76.7 16.8 -2.2 -4.1 26 27 A D T 345S+ 0 0 36 1,-0.3 -1,-0.2 2,-0.2 91,-0.1 -0.383 122.3 8.2 -71.0 123.2 13.9 -4.5 -3.4 27 28 A G T 345S+ 0 0 2 -2,-0.2 126,-0.4 6,-0.1 -1,-0.3 0.235 134.4 51.0 95.4 -12.0 12.7 -4.3 0.3 28 29 A V T <45S+ 0 0 0 -3,-2.2 126,-1.9 125,-0.2 130,-0.4 0.678 122.9 21.3-122.7 -60.6 15.1 -1.4 1.0 29 30 A L T <5S+ 0 0 6 -4,-2.1 18,-0.6 -5,-0.4 2,-0.3 0.659 136.5 42.3 -82.6 -16.6 14.5 1.3 -1.6 30 31 A S B - 0 0 64 4,-2.4 3,-1.5 -2,-0.4 6,-0.0 -0.396 36.5 -95.1-100.2 179.3 0.4 -7.3 -14.7 38 39 A N T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.665 125.6 48.6 -63.1 -20.8 -1.4 -9.8 -17.0 39 40 A H T 3 S- 0 0 174 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.369 121.6-104.5 -99.6 5.4 1.2 -9.1 -19.8 40 41 A G < + 0 0 44 -3,-1.5 -2,-0.1 1,-0.3 2,-0.1 0.530 70.0 146.9 78.7 6.4 4.2 -9.6 -17.5 41 42 A N - 0 0 101 -5,-0.0 -4,-2.4 1,-0.0 2,-0.3 -0.434 33.7-153.5 -63.6 153.6 5.0 -5.8 -17.2 42 43 A E E -G 36 0C 84 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.950 15.1-174.5-133.0 151.7 6.5 -5.1 -13.7 43 44 A L E -G 35 0C 90 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.3 -0.949 7.0-162.4-140.4 158.2 6.7 -2.1 -11.5 44 45 A K - 0 0 21 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.1 -0.953 18.8-130.2-130.8 165.4 8.3 -1.2 -8.2 45 46 A S - 0 0 47 -12,-0.4 -14,-0.6 -2,-0.3 2,-0.2 -0.949 22.2-173.5-122.4 121.1 7.4 1.7 -5.8 46 47 A F B -F 30 0B 52 -2,-0.5 2,-0.5 -16,-0.2 -16,-0.1 -0.721 22.7-119.9-110.4 163.5 10.1 4.0 -4.5 47 48 A H >> - 0 0 52 -18,-0.6 4,-2.0 -2,-0.2 3,-0.8 -0.863 6.4-141.5-112.8 133.2 9.7 6.8 -1.9 48 49 A V H 3> S+ 0 0 116 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 0.773 101.0 57.8 -59.6 -32.9 10.4 10.4 -2.5 49 50 A Q H 3> S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.829 107.6 48.1 -68.5 -30.5 12.0 11.1 0.9 50 51 A D H <> S+ 0 0 1 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.888 109.1 52.6 -72.4 -41.6 14.6 8.3 0.2 51 52 A G H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.930 110.8 47.7 -59.2 -41.0 15.3 9.8 -3.2 52 53 A X H X S+ 0 0 51 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.902 108.1 56.7 -63.7 -43.9 15.9 13.2 -1.5 53 54 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 109.0 45.4 -48.9 -50.9 18.1 11.4 1.1 54 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 112.3 50.9 -66.0 -39.5 20.4 10.1 -1.6 55 56 A K H X S+ 0 0 78 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.848 108.7 52.4 -66.3 -33.6 20.5 13.4 -3.4 56 57 A L H X S+ 0 0 9 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.886 107.8 51.1 -67.9 -42.0 21.4 15.1 -0.1 57 58 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.5 0.963 112.7 46.1 -57.3 -48.8 24.3 12.7 0.4 58 59 A X H ><5S+ 0 0 47 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.876 108.3 54.9 -64.5 -36.0 25.6 13.4 -3.1 59 60 A A H 3<5S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.789 108.2 52.3 -62.5 -28.9 25.2 17.2 -2.7 60 61 A A T <<5S- 0 0 16 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.289 126.6-100.9 -90.0 5.4 27.4 16.8 0.5 61 62 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.591 80.8 133.1 86.1 13.0 30.2 14.9 -1.5 62 63 A I < - 0 0 5 -5,-2.7 -1,-0.3 -6,-0.2 -42,-0.2 -0.866 52.4-131.1 -96.6 125.5 29.1 11.5 -0.2 63 64 A Q E -a 20 0A 56 -44,-1.9 -42,-2.5 -2,-0.5 2,-0.4 -0.280 15.7-151.5 -77.5 155.8 28.9 8.9 -2.9 64 65 A V E +a 21 0A 0 -44,-0.2 22,-0.6 -42,-0.0 2,-0.3 -0.991 16.1 173.2-126.4 138.7 25.9 6.6 -3.5 65 66 A A E -ac 22 86A 0 -44,-2.6 -42,-2.8 -2,-0.4 2,-0.4 -0.981 17.8-146.2-140.9 156.8 25.8 3.1 -5.0 66 67 A I E -ac 23 87A 0 20,-1.9 22,-2.1 -2,-0.3 2,-0.4 -0.959 8.7-175.2-120.3 140.8 23.3 0.3 -5.5 67 68 A I E + c 0 88A 0 -44,-1.9 2,-0.3 -2,-0.4 -42,-0.3 -0.964 24.6 164.4-132.1 117.0 23.9 -3.5 -5.4 68 69 A T - 0 0 0 20,-3.3 23,-2.9 -2,-0.4 -44,-0.0 -0.949 48.2-146.2-136.0 151.6 20.8 -5.5 -6.3 69 70 A T S S+ 0 0 62 -2,-0.3 -1,-0.1 21,-0.3 23,-0.1 0.723 77.1 104.0 -78.4 -26.7 19.6 -9.0 -7.4 70 71 A A - 0 0 11 1,-0.1 20,-2.4 20,-0.1 21,-0.3 -0.209 46.2-179.8 -54.8 143.1 16.9 -7.3 -9.4 71 72 A Q + 0 0 152 18,-0.2 -1,-0.1 19,-0.1 18,-0.1 0.397 39.9 113.1-121.5 -8.9 17.6 -7.3 -13.2 72 73 A N S >> S- 0 0 25 1,-0.1 3,-1.1 3,-0.0 4,-0.7 -0.227 76.8-111.7 -78.9 164.8 14.7 -5.5 -14.7 73 74 A A H 3> S+ 0 0 54 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.692 106.1 78.8 -69.3 -19.6 14.6 -2.0 -16.4 74 75 A V H 3> S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.913 93.9 52.2 -46.1 -46.0 12.6 -0.4 -13.5 75 76 A V H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.940 108.0 49.6 -60.9 -47.2 15.9 -0.3 -11.6 76 77 A D H X S+ 0 0 48 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.906 110.4 50.8 -60.1 -42.9 17.7 1.5 -14.5 77 78 A H H X S+ 0 0 115 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 112.4 46.4 -62.6 -43.5 15.0 4.1 -14.8 78 79 A R H X S+ 0 0 33 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.904 111.4 50.2 -65.5 -42.2 15.1 4.8 -11.1 79 80 A X H X>S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 4,-0.8 0.900 110.9 50.0 -63.0 -41.5 18.9 5.1 -11.0 80 81 A E H ><5S+ 0 0 154 -4,-2.5 3,-0.6 -5,-0.2 -1,-0.2 0.898 108.6 53.6 -60.5 -41.5 18.8 7.5 -14.0 81 82 A Q H 3<5S+ 0 0 134 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.7 40.5 -58.3 -44.1 16.2 9.6 -12.2 82 83 A L H 3<5S- 0 0 12 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.522 109.4-121.5 -85.5 -5.5 18.4 9.9 -9.2 83 84 A G T <<5 + 0 0 49 -4,-0.8 2,-0.7 -3,-0.6 -3,-0.2 0.764 56.5 155.8 67.2 29.4 21.7 10.4 -11.1 84 85 A I < + 0 0 5 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.783 15.0 170.8 -90.4 115.7 23.2 7.3 -9.5 85 86 A T + 0 0 107 -2,-0.7 2,-1.3 -21,-0.2 -1,-0.2 0.739 57.0 77.5 -97.5 -26.5 26.0 5.9 -11.7 86 87 A H E +c 65 0A 39 -22,-0.6 -20,-1.9 2,-0.0 2,-0.3 -0.690 67.6 134.6 -86.6 93.4 27.6 3.3 -9.4 87 88 A Y E -c 66 0A 72 -2,-1.3 2,-0.4 -22,-0.2 -20,-0.2 -0.998 38.7-158.5-150.8 154.6 25.2 0.3 -9.6 88 89 A Y E -c 67 0A 36 -22,-2.1 -20,-3.3 -2,-0.3 3,-0.3 -0.986 13.0-168.2-135.3 122.8 25.1 -3.4 -10.0 89 90 A K + 0 0 60 -2,-0.4 -18,-0.2 -22,-0.2 -20,-0.2 -0.698 64.2 23.8-113.6 157.6 22.2 -5.5 -11.1 90 91 A G S S+ 0 0 20 -20,-2.4 2,-0.8 -2,-0.2 -21,-0.3 0.735 73.5 153.3 66.1 23.4 21.5 -9.2 -11.1 91 92 A Q + 0 0 55 -23,-2.9 -1,-0.2 -3,-0.3 3,-0.2 -0.792 16.0 171.7 -93.9 110.9 24.0 -9.9 -8.3 92 93 A V S S+ 0 0 109 -2,-0.8 2,-0.5 1,-0.4 -1,-0.2 0.922 82.6 34.4 -84.3 -53.3 22.8 -13.0 -6.5 93 94 A D S S- 0 0 83 1,-0.1 -1,-0.4 -24,-0.0 4,-0.3 -0.947 80.9-165.7 -93.0 127.3 25.9 -13.3 -4.4 94 95 A K > + 0 0 4 -2,-0.5 4,-2.0 26,-0.5 5,-0.2 0.453 63.5 91.0 -96.8 -6.7 26.8 -9.6 -3.7 95 96 A R H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 86.1 51.8 -61.8 -41.8 30.4 -9.9 -2.4 96 97 A S H > S+ 0 0 90 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 108.9 49.3 -67.7 -38.2 32.0 -9.6 -5.9 97 98 A A H > S+ 0 0 3 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.893 109.8 52.6 -65.1 -41.6 30.2 -6.4 -6.7 98 99 A Y H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.915 108.6 49.8 -58.0 -42.6 31.2 -4.9 -3.4 99 100 A Q H X S+ 0 0 74 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.890 111.0 49.7 -67.6 -35.0 34.8 -5.7 -4.1 100 101 A H H X S+ 0 0 103 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.913 111.6 48.0 -66.5 -44.1 34.6 -4.1 -7.5 101 102 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.902 109.9 53.5 -62.0 -40.7 33.0 -1.0 -6.1 102 103 A K H X>S+ 0 0 45 -4,-2.6 4,-2.3 1,-0.2 5,-0.8 0.919 110.0 46.8 -61.4 -43.8 35.7 -0.9 -3.4 103 104 A K H <5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.907 112.0 51.6 -62.5 -42.8 38.4 -1.0 -6.1 104 105 A T H <5S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 118.5 35.1 -62.9 -42.6 36.7 1.7 -8.1 105 106 A L H <5S- 0 0 51 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.707 95.2-135.0 -88.8 -24.5 36.4 4.1 -5.2 106 107 A G T <5 + 0 0 64 -4,-2.3 2,-0.2 -5,-0.2 -3,-0.2 0.724 53.6 148.0 78.0 23.7 39.7 3.4 -3.3 107 108 A L < - 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0 0 1 -16,-2.3 8,-0.1 -2,-0.4 9,-0.1 -0.430 11.2-135.0 -79.5 161.5 16.1 2.0 11.1 150 151 A E S S+ 0 0 151 -2,-0.1 -1,-0.1 7,-0.1 7,-0.1 0.867 88.0 68.5 -77.1 -44.5 12.7 2.7 12.7 151 152 A R S S- 0 0 125 5,-0.2 -16,-1.8 6,-0.1 -15,-0.2 -0.360 85.8-116.1 -78.5 161.0 11.0 3.0 9.3 152 153 A T > > - 0 0 59 -18,-0.2 3,-1.7 -17,-0.2 5,-1.0 -0.460 45.9 -74.9 -90.9 161.0 10.4 0.1 6.8 153 154 A G T 3 5S+ 0 0 1 -126,-0.4 -124,-0.2 1,-0.3 -125,-0.2 -0.284 119.3 16.8 -54.4 141.6 12.0 -0.2 3.3 154 155 A G T 3 5S+ 0 0 1 -126,-1.9 -123,-0.3 -124,-0.1 -1,-0.3 0.582 110.4 82.6 65.2 12.3 10.3 2.1 0.8 155 156 A R T < 5S- 0 0 122 -3,-1.7 -2,-0.1 -127,-0.2 -3,-0.1 0.224 122.0 -69.0-126.6 13.4 8.8 4.3 3.5 156 157 A G T >5S+ 0 0 1 -5,-0.1 4,-1.8 -4,-0.1 -5,-0.2 0.537 93.4 124.3 110.4 8.3 11.8 6.5 4.4 157 158 A A H > S+ 0 0 0 -130,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.922 109.5 52.7 -66.1 -36.6 17.0 5.0 3.6 159 160 A R H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.899 105.0 56.0 -61.8 -38.6 16.3 8.7 4.3 160 161 A E H X S+ 0 0 26 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.920 110.6 44.5 -62.4 -41.7 16.7 8.0 8.1 161 162 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.901 110.9 53.6 -65.4 -45.3 20.2 6.6 7.4 162 163 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.938 111.0 46.6 -53.1 -47.3 21.1 9.5 5.1 163 164 A D H X S+ 0 0 55 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.900 109.3 54.2 -66.8 -41.5 20.1 12.0 7.8 164 165 A L H X S+ 0 0 23 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.933 112.1 44.7 -54.5 -46.9 22.1 10.0 10.5 165 166 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.955 115.1 46.8 -66.6 -48.0 25.2 10.2 8.3 166 167 A L H <>S+ 0 0 2 -4,-2.5 5,-2.8 1,-0.2 6,-0.7 0.930 114.0 48.2 -62.4 -42.9 24.8 13.9 7.4 167 168 A N H ><5S+ 0 0 98 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.911 109.1 52.8 -63.5 -42.7 24.1 14.8 11.0 168 169 A A H 3<5S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 114.8 42.1 -58.0 -35.1 27.1 12.8 12.3 169 170 A Q T 3<5S- 0 0 29 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.327 109.9-120.3 -97.4 3.5 29.4 14.6 9.9 170 171 A N T < 5S+ 0 0 148 -3,-1.1 4,-0.2 -4,-0.4 -3,-0.2 0.842 80.6 119.7 57.4 38.9 27.8 18.1 10.4 171 172 A K >< + 0 0 65 -5,-2.8 4,-2.8 -6,-0.2 -4,-0.2 0.299 32.5 100.5-113.1 4.6 26.9 18.2 6.7 172 173 A A H > S+ 0 0 35 -6,-0.7 4,-2.3 2,-0.2 5,-0.2 0.931 88.3 42.7 -60.3 -49.8 23.1 18.5 6.9 173 174 A E H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 114.5 51.3 -60.8 -49.2 23.1 22.3 6.2 174 175 A L H > S+ 0 0 117 -4,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.913 110.9 50.6 -47.3 -49.8 25.8 21.9 3.4 175 176 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.929 113.4 40.7 -60.2 -52.7 23.7 19.2 1.8 176 177 A I H X S+ 0 0 50 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 116.5 50.7 -69.0 -35.5 20.3 21.1 1.7 177 178 A T H X S+ 0 0 60 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.978 114.1 44.3 -62.2 -54.2 22.0 24.3 0.7 178 179 A G H >< S+ 0 0 20 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.891 114.5 49.1 -57.2 -47.4 23.9 22.5 -2.1 179 180 A Y H >< S+ 0 0 75 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.904 107.6 54.0 -52.7 -49.5 20.8 20.6 -3.3 180 181 A L H 3< S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.594 101.6 61.8 -70.2 -9.7 18.6 23.7 -3.3 181 182 A K T << 0 0 162 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.1 -0.030 360.0 360.0-105.8 25.8 21.1 25.5 -5.6 182 183 A Q < 0 0 202 -3,-1.3 -3,-0.0 0, 0.0 0, 0.0 -0.893 360.0 360.0-146.1 360.0 20.8 23.0 -8.5