==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-03 1PJA . COMPND 2 MOLECULE: PALMITOYL-PROTEIN THIOESTERASE 2 PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.CALERO,P.GUPTA,M.C.NONATO,S.TANDEL,E.R.BIEHL,S.L.HOFMANN,J . 268 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 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 . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 2 0 2 2 2 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 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 35 A S 0 0 149 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 -46.0 15.3 38.3 71.0 2 36 A Y - 0 0 77 29,-0.1 31,-0.3 27,-0.1 266,-0.1 -0.976 360.0-110.8-134.0 147.9 15.8 42.1 70.4 3 37 A K - 0 0 47 -2,-0.3 68,-0.2 1,-0.1 69,-0.1 -0.446 46.8 -92.0 -74.9 148.7 15.0 44.4 67.5 4 38 A P - 0 0 32 0, 0.0 68,-2.6 0, 0.0 2,-0.4 -0.227 40.2-144.5 -57.7 148.4 18.0 45.8 65.5 5 39 A V E -ab 34 72A 0 28,-2.3 30,-3.1 66,-0.2 2,-0.5 -0.977 9.7-162.8-123.8 126.4 19.3 49.2 66.7 6 40 A I E -ab 35 73A 0 66,-2.8 68,-2.4 -2,-0.4 2,-0.5 -0.901 8.6-155.4-107.2 132.6 20.6 51.9 64.5 7 41 A V E -ab 36 74A 0 28,-2.6 30,-1.4 -2,-0.5 2,-0.6 -0.931 5.9-166.3-113.6 129.4 22.8 54.7 66.0 8 42 A V E - b 0 75A 2 66,-2.2 68,-2.8 -2,-0.5 71,-0.1 -0.963 16.3-152.0-115.6 116.1 23.1 58.2 64.4 9 43 A H - 0 0 5 -2,-0.6 3,-0.1 28,-0.5 2,-0.1 -0.148 6.3-130.3 -79.7 175.5 25.9 60.3 65.9 10 44 A G > - 0 0 0 1,-0.3 3,-1.0 68,-0.2 -1,-0.1 -0.099 53.6 -15.9-108.7-152.6 26.3 64.0 66.1 11 45 A L T 3 S- 0 0 27 1,-0.2 -1,-0.3 -2,-0.1 3,-0.1 -0.150 121.8 -7.2 -55.0 139.8 28.8 66.7 65.3 12 46 A F T 3 S+ 0 0 45 30,-0.8 -1,-0.2 1,-0.2 30,-0.2 0.793 107.7 122.9 44.3 42.8 32.5 65.8 64.6 13 47 A D < - 0 0 28 -3,-1.0 2,-0.3 28,-0.7 -1,-0.2 -0.632 39.9-174.7-126.2-178.8 31.9 62.1 65.6 14 48 A S > - 0 0 34 -2,-0.2 3,-1.3 -3,-0.1 4,-0.1 -0.906 55.2 -77.0-158.6-178.9 32.1 58.5 64.5 15 49 A S G > S+ 0 0 42 -2,-0.3 3,-1.9 1,-0.3 23,-0.1 0.704 116.1 80.8 -63.4 -16.8 31.1 55.1 65.8 16 50 A Y G > S+ 0 0 145 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.885 84.8 56.8 -57.2 -39.9 34.2 55.4 68.0 17 51 A S G < S+ 0 0 26 -3,-1.3 -1,-0.3 1,-0.3 4,-0.2 0.469 101.3 59.3 -72.8 -0.7 32.4 57.6 70.6 18 52 A F G <> + 0 0 0 -3,-1.9 4,-2.3 -4,-0.1 -1,-0.3 0.155 66.4 107.2-114.3 18.8 29.7 54.9 71.1 19 53 A R H <> S+ 0 0 109 -3,-1.3 4,-1.6 1,-0.2 -1,-0.1 0.903 82.4 50.2 -62.4 -40.7 31.9 52.0 72.3 20 54 A H H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 109.0 51.6 -64.6 -40.5 30.5 52.4 75.8 21 55 A L H > S+ 0 0 1 232,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.924 107.6 51.5 -63.1 -45.9 26.9 52.4 74.6 22 56 A L H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.849 108.6 53.2 -60.8 -33.3 27.4 49.2 72.6 23 57 A E H X S+ 0 0 92 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.983 107.4 50.0 -63.8 -55.9 28.9 47.7 75.8 24 58 A Y H X S+ 0 0 17 -4,-2.3 4,-0.7 1,-0.2 5,-0.3 0.914 113.6 46.1 -45.5 -53.8 25.8 48.6 77.8 25 59 A I H >X S+ 0 0 1 -4,-2.4 4,-3.7 1,-0.2 3,-0.9 0.909 114.6 46.5 -58.8 -45.2 23.5 47.1 75.2 26 60 A N H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.6 53.5 -66.5 -36.2 25.6 43.9 74.9 27 61 A E H 3< S+ 0 0 103 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.543 126.0 22.5 -75.9 -8.2 25.8 43.6 78.6 28 62 A T H << S+ 0 0 37 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.2 0.655 132.0 34.0-124.9 -42.3 22.0 43.8 79.0 29 63 A H S >< S- 0 0 18 -4,-3.7 3,-1.6 -5,-0.3 -2,-0.1 -0.651 82.4-160.2-119.8 73.0 20.5 42.8 75.6 30 64 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.219 72.3 22.5 -55.1 133.2 22.9 40.1 74.3 31 65 A G T 3 S+ 0 0 66 1,-0.3 2,-0.2 -30,-0.1 -29,-0.1 0.360 80.6 148.2 91.1 -6.4 22.8 39.4 70.6 32 66 A T < - 0 0 20 -3,-1.6 2,-1.0 -7,-0.2 -1,-0.3 -0.462 48.0-133.3 -64.6 126.2 21.3 42.8 69.7 33 67 A V - 0 0 95 -31,-0.3 -28,-2.3 -2,-0.2 2,-0.6 -0.730 28.1-172.4 -84.4 104.6 22.6 43.8 66.3 34 68 A V E -a 5 0A 33 -2,-1.0 2,-0.7 -30,-0.2 -28,-0.2 -0.882 9.3-166.3-104.0 121.6 23.6 47.4 66.8 35 69 A T E -a 6 0A 47 -30,-3.1 -28,-2.6 -2,-0.6 2,-1.0 -0.890 1.8-169.2-108.3 105.6 24.6 49.4 63.7 36 70 A V E -a 7 0A 19 -2,-0.7 2,-0.2 -30,-0.2 -21,-0.2 -0.826 25.9-136.0 -94.0 101.7 26.4 52.6 64.5 37 71 A L - 0 0 19 -30,-1.4 2,-1.2 -2,-1.0 -28,-0.5 -0.391 10.9-154.8 -65.4 122.9 26.5 54.3 61.1 38 72 A D + 0 0 79 -2,-0.2 2,-0.4 -24,-0.1 3,-0.2 -0.574 47.4 131.6 -96.0 69.1 29.8 56.0 60.1 39 73 A L S S+ 0 0 55 -2,-1.2 -30,-0.2 1,-0.2 13,-0.0 -0.949 72.5 5.2-119.5 142.4 28.3 58.5 57.7 40 74 A F S S+ 0 0 27 -2,-0.4 -27,-0.3 -28,-0.0 -1,-0.2 0.955 87.1 164.5 49.5 60.3 29.2 62.2 57.8 41 75 A D + 0 0 39 -3,-0.2 -28,-0.7 -29,-0.1 -2,-0.1 0.978 50.0 6.4 -78.7 -62.9 31.8 61.5 60.5 42 76 A G S > S- 0 0 37 -30,-0.2 3,-1.2 -31,-0.1 -30,-0.8 0.716 136.8 -14.2 -88.9-104.3 34.3 64.3 61.2 43 77 A R G > S+ 0 0 197 1,-0.2 3,-1.9 2,-0.1 4,-0.1 0.686 125.4 76.8 -72.3 -18.2 34.0 67.6 59.5 44 78 A E G > S+ 0 0 84 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.638 76.4 75.9 -67.0 -13.0 31.5 66.0 57.1 45 79 A S G < S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.590 83.9 67.1 -73.0 -9.2 29.0 66.3 59.9 46 80 A L G < S+ 0 0 22 -3,-1.9 94,-3.2 94,-0.1 -1,-0.3 0.449 76.4 114.4 -88.2 -3.0 28.8 70.0 59.1 47 81 A R S < S- 0 0 108 -3,-1.5 92,-0.1 92,-0.2 5,-0.1 -0.296 87.4 -73.0 -66.5 155.5 27.2 69.2 55.7 48 82 A P >> - 0 0 20 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.187 41.8-129.7 -48.7 132.9 23.6 70.3 55.2 49 83 A L H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.844 106.4 59.5 -58.9 -34.6 21.2 68.2 57.3 50 84 A W H 3> S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.891 105.7 50.0 -62.2 -34.7 18.9 67.5 54.3 51 85 A E H <> S+ 0 0 77 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.929 110.2 49.6 -65.7 -45.6 21.9 65.9 52.6 52 86 A Q H X S+ 0 0 4 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.872 104.9 59.5 -60.8 -36.6 22.6 63.8 55.6 53 87 A V H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.930 108.2 43.6 -58.9 -46.5 18.9 62.8 55.7 54 88 A Q H X S+ 0 0 85 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.906 114.6 50.3 -64.3 -43.1 19.2 61.2 52.2 55 89 A G H X S+ 0 0 14 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.956 113.5 43.3 -60.4 -53.0 22.6 59.6 53.0 56 90 A F H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.895 111.6 57.1 -60.6 -38.7 21.3 58.0 56.2 57 91 A R H X S+ 0 0 69 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.943 104.8 49.3 -57.5 -51.1 18.2 57.0 54.4 58 92 A E H < S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.4 44.3 -56.9 -37.9 20.0 55.1 51.8 59 93 A A H X S+ 0 0 31 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.828 115.1 47.2 -75.5 -33.7 22.0 53.4 54.5 60 94 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.793 94.9 72.5 -81.7 -29.6 19.0 52.7 56.8 61 95 A V H X S+ 0 0 58 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.894 97.6 48.3 -54.2 -46.9 16.5 51.3 54.2 62 96 A P H > S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.921 112.1 49.8 -62.0 -42.4 18.3 47.9 53.8 63 97 A I H X S+ 0 0 36 -4,-0.7 4,-0.7 1,-0.2 3,-0.5 0.919 114.2 44.3 -61.5 -45.2 18.6 47.5 57.6 64 98 A M H >< S+ 0 0 8 -4,-2.5 3,-1.1 1,-0.2 6,-0.2 0.902 106.1 60.7 -66.9 -42.1 14.9 48.2 58.1 65 99 A A H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.3 45.6 -56.9 -26.9 13.9 46.0 55.1 66 100 A K H 3< S+ 0 0 161 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.612 90.6 93.8 -92.3 -15.0 15.4 43.0 57.0 67 101 A A X< - 0 0 7 -3,-1.1 3,-1.1 -4,-0.7 4,-0.1 -0.705 55.0-169.8 -84.3 105.9 13.9 43.8 60.3 68 102 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.908 88.5 32.5 -60.4 -45.1 10.6 41.8 60.6 69 103 A Q T 3 S- 0 0 142 1,-0.4 -66,-0.1 0, 0.0 -2,-0.1 0.042 121.2-101.2-103.5 26.8 9.4 43.5 63.7 70 104 A G < - 0 0 6 -3,-1.1 -1,-0.4 -6,-0.2 2,-0.3 -0.140 35.9 -97.8 83.8 178.0 11.0 46.9 63.0 71 105 A V E - c 0 95A 0 23,-1.8 25,-3.0 -68,-0.2 2,-0.3 -0.834 21.8-124.4-133.5 167.4 14.1 48.6 64.3 72 106 A H E -b 5 0A 0 -68,-2.6 -66,-2.8 -2,-0.3 2,-0.4 -0.841 17.8-147.5-113.8 154.6 15.0 51.1 67.0 73 107 A L E -bc 6 98A 1 24,-3.2 26,-3.5 -2,-0.3 2,-0.5 -0.977 11.9-172.9-125.2 134.6 16.9 54.4 66.6 74 108 A I E -bc 7 99A 0 -68,-2.4 -66,-2.2 -2,-0.4 2,-0.6 -0.955 15.8-177.2-124.3 105.9 19.3 56.1 69.0 75 109 A a E -bc 8 100A 0 24,-2.7 26,-2.0 -2,-0.5 2,-0.3 -0.933 11.8-149.7-113.1 116.9 20.1 59.5 67.6 76 110 A Y E > - c 0 101A 11 -68,-2.8 3,-2.4 -2,-0.6 26,-0.2 -0.661 47.8 -48.9 -93.2 137.3 22.6 61.7 69.5 77 111 A S T >> S+ 0 0 15 24,-2.5 3,-2.6 -2,-0.3 4,-0.5 -0.109 133.6 9.0 46.3-127.1 22.7 65.4 69.6 78 112 A Q H >> S+ 0 0 2 1,-0.3 4,-1.3 2,-0.2 3,-1.2 0.829 124.0 70.3 -48.1 -35.1 22.5 66.9 66.1 79 113 A G H <> S+ 0 0 2 -3,-2.4 4,-2.6 1,-0.3 -1,-0.3 0.798 84.2 69.2 -54.4 -31.1 21.7 63.4 65.0 80 114 A G H <> S+ 0 0 0 -3,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.893 100.1 47.0 -55.0 -42.7 18.4 63.7 66.6 81 115 A L H < - 0 0 2 -4,-1.6 3,-1.0 -5,-0.2 -1,-0.1 -0.879 56.5-169.0-104.1 116.1 10.0 58.2 54.6 91 125 A D T 3 S+ 0 0 100 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.1 0.437 84.4 52.1 -78.3 0.5 6.5 56.9 54.6 92 126 A D T 3 S+ 0 0 91 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.141 73.8 127.9-123.7 18.8 7.7 53.3 54.9 93 127 A H < - 0 0 1 -3,-1.0 -32,-0.0 -6,-0.2 -6,-0.0 -0.414 44.9-154.8 -74.3 156.0 10.0 53.3 57.9 94 128 A N + 0 0 48 -2,-0.1 -23,-1.8 -22,-0.0 2,-0.5 -0.264 32.8 155.4-124.9 44.0 9.4 50.8 60.6 95 129 A V E +c 71 0A 4 -25,-0.2 89,-0.8 1,-0.2 -23,-0.2 -0.621 15.1 176.7 -78.0 123.9 11.0 52.6 63.6 96 130 A D E S+ 0 0 35 -25,-3.0 89,-2.6 -2,-0.5 88,-1.7 0.891 70.5 25.8 -87.1 -81.8 9.6 51.5 66.9 97 131 A S E - d 0 185A 2 87,-0.2 -24,-3.2 169,-0.2 2,-0.8 -0.776 66.2-168.8 -91.0 119.1 11.6 53.3 69.6 98 132 A F E -cd 73 186A 0 87,-3.2 89,-2.0 -2,-0.6 2,-0.8 -0.903 10.0-164.6-106.6 101.0 13.0 56.7 68.4 99 133 A I E -cd 74 187A 0 -26,-3.5 -24,-2.7 -2,-0.8 2,-1.1 -0.805 6.8-160.3 -95.1 110.0 15.4 57.7 71.1 100 134 A S E -cd 75 188A 1 87,-3.1 89,-2.3 -2,-0.8 2,-1.5 -0.764 9.6-157.4 -90.4 95.8 16.4 61.4 70.9 101 135 A L E -cd 76 189A 0 -26,-2.0 -24,-2.5 -2,-1.1 -21,-0.2 -0.589 66.5 -46.4 -82.5 88.0 19.6 61.5 73.0 102 136 A S S S+ 0 0 0 87,-2.1 -1,-0.2 -2,-1.5 88,-0.1 0.932 87.5 165.4 53.5 59.3 19.8 65.2 73.9 103 137 A S - 0 0 0 86,-0.3 2,-2.3 -3,-0.3 3,-0.2 -0.691 51.1-113.4-102.5 155.7 19.1 66.7 70.5 104 138 A P > + 0 0 2 0, 0.0 3,-2.7 0, 0.0 99,-0.2 -0.424 48.9 167.1 -83.2 63.8 18.2 70.4 69.8 105 139 A Q T 3 S+ 0 0 0 -2,-2.3 98,-0.2 1,-0.3 3,-0.1 0.794 77.5 35.8 -50.9 -33.6 14.8 69.2 68.7 106 140 A M T 3 S- 0 0 1 96,-0.5 -1,-0.3 1,-0.4 2,-0.1 0.105 127.8 -93.5-108.3 22.8 13.5 72.8 68.7 107 141 A G < - 0 0 0 -3,-2.7 -1,-0.4 95,-0.1 2,-0.4 -0.287 39.7 -83.6 97.7 176.9 16.7 74.3 67.5 108 142 A Q B +f 145 0B 15 36,-2.1 38,-2.6 33,-0.2 89,-0.1 -0.944 34.6 166.6-126.6 145.0 19.8 75.8 69.1 109 143 A Y + 0 0 1 89,-2.4 2,-0.3 -2,-0.4 15,-0.1 -0.489 41.5 94.9-157.2 77.9 20.5 79.3 70.3 110 144 A G S S- 0 0 1 14,-0.1 2,-0.3 13,-0.1 88,-0.1 -0.985 70.3 -99.1-166.5 155.4 23.6 79.6 72.5 111 145 A D + 0 0 95 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.602 47.6 172.5 -76.7 135.4 27.3 80.4 72.6 112 146 A T > - 0 0 27 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.972 46.3-113.1-143.2 158.3 29.4 77.2 72.5 113 147 A D H > S+ 0 0 152 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.948 120.3 48.0 -54.6 -51.7 33.1 76.3 72.3 114 148 A Y H > S+ 0 0 116 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.935 112.5 49.6 -53.6 -49.7 32.5 74.7 68.9 115 149 A L H > S+ 0 0 9 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.893 111.5 47.1 -59.0 -43.5 30.5 77.8 67.7 116 150 A K H < S+ 0 0 120 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.837 113.3 49.9 -68.4 -32.4 33.2 80.2 68.8 117 151 A W H < S+ 0 0 172 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.919 116.5 40.9 -70.5 -43.7 35.8 78.1 67.2 118 152 A L H < S+ 0 0 41 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.887 130.9 26.7 -71.7 -40.4 33.8 78.0 63.9 119 153 A F >< + 0 0 29 -4,-3.3 3,-2.1 -5,-0.2 -1,-0.3 -0.665 69.7 177.0-126.5 76.5 32.8 81.6 64.1 120 154 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.672 80.6 47.3 -50.5 -25.1 35.5 83.5 66.0 121 155 A T T 3 S+ 0 0 130 2,-0.0 2,-0.3 5,-0.0 -5,-0.1 0.178 99.9 83.6-108.0 18.1 33.8 86.9 65.5 122 156 A S < - 0 0 15 -3,-2.1 2,-0.2 -7,-0.2 -3,-0.1 -0.888 50.5-163.9-126.4 155.4 30.2 86.0 66.4 123 157 A M >> - 0 0 95 -2,-0.3 4,-2.5 -12,-0.1 3,-1.2 -0.647 47.5 -92.6-117.6 177.8 28.0 85.6 69.5 124 158 A R H 3> S+ 0 0 45 1,-0.3 4,-0.5 -2,-0.2 -14,-0.1 0.890 127.7 51.8 -62.2 -39.6 24.6 83.8 69.7 125 159 A S H 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.545 115.0 43.8 -76.3 -5.4 22.8 87.1 68.9 126 160 A N H X4 S+ 0 0 31 -3,-1.2 3,-3.4 2,-0.1 4,-0.4 0.781 87.7 84.1-103.0 -41.8 25.0 87.7 65.9 127 161 A L H >X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.3 3,-2.8 0.743 79.8 68.2 -33.5 -43.4 25.1 84.2 64.2 128 162 A Y H 3X S+ 0 0 33 -4,-0.5 4,-2.2 1,-0.3 -1,-0.3 0.853 87.9 67.3 -50.7 -36.3 21.8 84.9 62.5 129 163 A R H <4 S+ 0 0 166 -3,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.767 119.4 21.5 -57.5 -22.6 23.7 87.5 60.4 130 164 A I H X4 S+ 0 0 61 -3,-2.8 3,-1.0 -4,-0.4 6,-0.3 0.786 121.7 55.4-108.5 -51.3 25.6 84.5 58.9 131 165 A b H 3< S+ 0 0 0 -4,-3.3 -3,-0.2 1,-0.3 2,-0.2 0.774 101.5 58.3 -56.9 -32.4 23.4 81.5 59.5 132 166 A Y T 3< S+ 0 0 17 -4,-2.2 -1,-0.3 -5,-0.3 -4,-0.1 -0.151 85.1 99.4 -95.5 41.9 20.3 82.9 57.8 133 167 A S S <> S- 0 0 13 -3,-1.0 4,-2.4 -2,-0.2 5,-0.1 -0.808 88.7-107.1-116.1 160.3 21.9 83.5 54.4 134 168 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.931 123.9 42.1 -55.1 -44.2 21.6 81.1 51.5 135 169 A W T >4 S+ 0 0 189 1,-0.2 3,-1.5 2,-0.2 -4,-0.1 0.811 109.0 59.5 -72.3 -28.7 25.2 79.8 52.0 136 170 A G G >4 S+ 0 0 5 -6,-0.3 3,-1.9 1,-0.3 6,-0.3 0.910 97.5 60.1 -63.9 -38.3 24.7 79.8 55.7 137 171 A Q G 3< S+ 0 0 10 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.361 92.2 69.4 -71.2 9.4 21.8 77.3 55.2 138 172 A E G < S+ 0 0 120 -3,-1.5 2,-0.5 -5,-0.1 -1,-0.3 0.221 85.3 81.7-107.6 8.8 24.4 75.1 53.6 139 173 A F S <> S- 0 0 55 -3,-1.9 4,-1.4 -8,-0.2 3,-0.3 -0.970 80.6-133.9-117.7 124.9 26.1 74.5 57.0 140 174 A S T >4 S+ 0 0 0 -94,-3.2 3,-1.0 -2,-0.5 4,-0.4 0.882 103.2 50.8 -45.4 -54.8 24.5 71.9 59.3 141 175 A I G >4 S+ 0 0 8 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.923 108.5 53.5 -51.9 -47.5 24.5 74.0 62.5 142 176 A b G >4 S+ 0 0 1 -3,-0.3 3,-1.0 -6,-0.3 -1,-0.3 0.792 92.8 73.9 -58.2 -30.3 22.8 76.8 60.7 143 177 A N G << S+ 0 0 1 -4,-1.4 18,-2.4 -3,-1.0 17,-0.4 0.616 113.9 22.8 -60.8 -14.3 20.1 74.4 59.6 144 178 A Y G < S+ 0 0 13 -3,-1.9 -36,-2.1 -4,-0.4 2,-0.6 0.202 83.2 132.1-138.2 16.5 18.7 74.5 63.1 145 179 A W B < -f 108 0B 0 -3,-1.0 2,-0.7 -4,-0.3 -36,-0.2 -0.627 39.5-165.6 -71.6 117.2 20.0 77.7 64.5 146 180 A H - 0 0 8 -38,-2.6 62,-0.2 -2,-0.6 5,-0.1 -0.803 6.9-169.2-114.7 90.4 16.8 79.2 66.0 147 181 A D > - 0 0 0 -2,-0.7 3,-1.7 3,-0.2 7,-0.2 -0.675 8.5-162.3 -82.7 109.4 17.1 82.9 66.9 148 182 A P T 3 S+ 0 0 14 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.559 89.0 57.0 -67.9 -4.7 14.1 83.9 69.0 149 183 A H T 3 S+ 0 0 83 1,-0.2 3,-0.1 2,-0.1 61,-0.1 0.388 111.5 38.7-104.9 -0.3 14.8 87.6 68.2 150 184 A H <> + 0 0 61 -3,-1.7 4,-2.8 1,-0.1 3,-0.3 -0.257 68.5 147.8-141.4 45.0 14.7 87.2 64.4 151 185 A D H > S+ 0 0 71 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.809 71.1 56.0 -53.3 -35.3 11.8 84.8 64.1 152 186 A D H > S+ 0 0 137 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.937 110.0 42.8 -67.0 -45.2 10.8 86.4 60.8 153 187 A L H > S+ 0 0 71 -3,-0.3 4,-3.5 1,-0.2 5,-0.3 0.934 114.3 53.9 -65.7 -41.2 14.2 85.9 59.1 154 188 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.934 108.1 46.8 -54.4 -53.7 14.3 82.4 60.6 155 189 A L H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 119.3 45.9 -60.2 -26.6 10.9 81.3 59.2 156 190 A N H < S+ 0 0 116 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.886 123.8 26.0 -83.4 -42.8 12.1 82.8 56.0 157 191 A A H < S+ 0 0 24 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.768 85.6 105.8 -95.5 -32.9 15.6 81.4 55.8 158 192 A S < - 0 0 0 -4,-2.7 -15,-0.1 -5,-0.3 -26,-0.1 -0.322 41.5-176.4 -55.9 118.9 15.7 78.1 57.7 159 193 A S S S+ 0 0 36 -2,-0.2 -1,-0.2 3,-0.1 -16,-0.1 0.621 77.2 22.1 -92.3 -12.4 15.8 75.4 55.1 160 194 A F S > S+ 0 0 0 -17,-0.4 4,-2.7 -18,-0.1 5,-0.3 0.769 121.6 37.5-117.0 -68.6 15.6 72.6 57.6 161 195 A L H > S+ 0 0 0 -18,-2.4 4,-1.8 1,-0.2 6,-0.3 0.965 118.5 46.5 -56.3 -58.6 14.2 73.2 61.1 162 196 A A H 4>S+ 0 0 0 1,-0.2 6,-1.5 -19,-0.2 5,-1.5 0.834 115.8 50.5 -54.8 -31.6 11.5 75.6 60.2 163 197 A L H >45S+ 0 0 28 2,-0.2 3,-1.5 1,-0.2 -2,-0.2 0.965 110.8 42.2 -74.7 -54.1 10.5 73.2 57.4 164 198 A I H 3<5S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.706 113.6 56.7 -67.4 -17.1 10.3 69.9 59.3 165 199 A N T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.561 108.0-125.9 -87.6 -9.8 8.5 71.7 62.1 166 200 A G T < 5S+ 0 0 18 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.637 73.2 129.8 74.1 12.1 5.8 73.0 59.7 167 201 A E S - 0 0 30 -7,-0.1 3,-2.0 -4,-0.1 4,-0.3 -0.982 46.7-103.4-152.8 148.8 5.1 73.4 52.4 171 205 A P T 3 S+ 0 0 127 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.746 115.7 43.7 -43.7 -35.5 3.1 71.0 50.1 172 206 A N T 3> S+ 0 0 80 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.281 73.5 111.9-103.1 15.9 4.0 67.8 52.0 173 207 A A H <> S+ 0 0 20 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 0.888 81.1 50.3 -52.3 -44.2 3.6 69.0 55.7 174 208 A T H > S+ 0 0 113 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.902 112.3 45.7 -63.0 -43.4 0.6 66.7 56.1 175 209 A V H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.907 110.8 53.2 -67.8 -41.3 2.4 63.6 54.7 176 210 A W H X S+ 0 0 39 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.908 110.4 48.0 -59.3 -42.2 5.5 64.3 56.8 177 211 A R H X S+ 0 0 74 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.914 111.1 50.7 -63.7 -43.6 3.3 64.5 59.9 178 212 A K H < S+ 0 0 128 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.912 111.9 48.4 -61.2 -42.5 1.6 61.3 58.9 179 213 A N H >< S+ 0 0 2 -4,-2.9 3,-1.9 -91,-0.3 4,-0.3 0.940 109.3 50.3 -64.8 -48.9 5.0 59.6 58.4 180 214 A F H >< S+ 0 0 0 -4,-2.8 3,-1.5 -92,-0.3 -1,-0.2 0.832 101.5 64.8 -60.2 -30.0 6.5 60.8 61.8 181 215 A L T 3< S+ 0 0 22 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.605 83.5 76.8 -69.1 -10.4 3.3 59.4 63.5 182 216 A R T < S+ 0 0 112 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.706 71.5 108.5 -71.4 -21.2 4.3 55.9 62.4 183 217 A V < - 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