==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-MAY-12 4F47 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE ECHA19; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 10 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 1 0 2 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 15 A G 0 0 95 0, 0.0 4,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0-160.2 12.7 6.0 15.7 2 16 A P - 0 0 70 0, 0.0 28,-0.0 0, 0.0 3,-0.0 -0.164 360.0-111.8 -56.4 153.7 12.1 7.9 19.0 3 17 A D S S+ 0 0 35 1,-0.1 15,-3.0 14,-0.1 2,-0.3 0.643 107.4 32.8 -75.2 -11.2 9.0 10.1 19.1 4 18 A A E S-A 17 0A 3 13,-0.2 2,-0.3 25,-0.1 13,-0.2 -0.984 79.7-146.8-136.2 133.7 11.2 13.2 19.1 5 19 A L E -A 16 0A 70 11,-2.9 11,-2.7 -2,-0.3 2,-0.4 -0.778 13.2-165.1 -95.3 143.7 14.5 13.4 17.4 6 20 A V E +A 15 0A 53 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 11.6 169.6-136.9 124.0 17.3 15.5 18.9 7 21 A E E -A 14 0A 90 7,-2.1 7,-3.2 -2,-0.4 2,-0.6 -0.998 24.1-146.3-135.9 132.9 20.5 16.7 17.2 8 22 A Q E -A 13 0A 60 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.883 16.7-178.4 -95.1 123.9 23.2 19.2 18.2 9 23 A R E > -A 12 0A 111 3,-3.3 3,-2.2 -2,-0.6 2,-0.2 -0.937 63.2 -60.2-126.4 100.2 24.6 21.0 15.2 10 24 A G T 3 S- 0 0 56 -2,-0.5 36,-0.0 1,-0.3 -1,-0.0 -0.400 121.2 -14.3 53.6-121.8 27.4 23.3 16.5 11 25 A H T 3 S+ 0 0 55 -2,-0.2 37,-3.1 36,-0.1 38,-1.4 0.337 122.9 88.2 -89.8 4.5 25.7 25.7 18.9 12 26 A T E < -Ab 9 49A 5 -3,-2.2 -3,-3.3 35,-0.2 2,-0.5 -0.890 60.3-154.9-110.6 131.8 22.2 24.8 17.8 13 27 A L E -Ab 8 50A 0 36,-2.1 38,-2.7 -2,-0.4 2,-0.5 -0.905 12.1-156.3 -99.5 131.7 19.9 22.0 19.1 14 28 A I E -Ab 7 51A 5 -7,-3.2 -7,-2.1 -2,-0.5 2,-0.5 -0.958 6.3-167.8-111.4 122.2 17.3 20.8 16.7 15 29 A V E -Ab 6 52A 0 36,-3.4 38,-2.6 -2,-0.5 2,-0.6 -0.955 4.3-169.7-113.0 118.9 14.2 19.1 18.1 16 30 A T E -Ab 5 53A 25 -11,-2.7 -11,-2.9 -2,-0.5 38,-0.3 -0.939 20.4-136.9-115.8 114.5 12.0 17.3 15.6 17 31 A M E -Ab 4 54A 0 36,-2.8 38,-2.5 -2,-0.6 2,-0.3 -0.530 29.9-165.3 -65.3 128.6 8.6 16.0 16.7 18 32 A N + 0 0 22 -15,-3.0 -1,-0.1 -2,-0.3 -14,-0.1 -0.602 50.7 101.1-140.5 69.3 8.5 12.5 15.1 19 33 A R > > + 0 0 78 -2,-0.3 5,-2.6 36,-0.1 3,-2.3 -0.524 37.4 165.0-133.5 64.8 5.3 10.5 14.6 20 34 A P G > 5S+ 0 0 52 0, 0.0 3,-1.1 0, 0.0 -1,-0.0 0.737 70.2 60.7 -65.1 -23.4 4.8 11.3 11.0 21 35 A S G 3 5S+ 0 0 129 1,-0.2 35,-0.0 2,-0.1 -3,-0.0 0.620 112.4 41.4 -71.2 -14.6 2.2 8.4 10.4 22 36 A R G X 5S- 0 0 35 -3,-2.3 3,-1.9 3,-0.1 -1,-0.2 -0.048 123.0-102.2-118.5 31.0 0.1 10.3 13.1 23 37 A R T < 5S- 0 0 43 -3,-1.1 36,-0.1 1,-0.3 -2,-0.1 0.778 73.4 -67.7 52.6 31.6 0.8 13.9 11.8 24 38 A N T 3 - 0 0 21 -3,-0.1 4,-2.3 -24,-0.1 5,-0.2 -0.858 41.2-108.5-121.8 165.0 2.7 11.1 22.7 28 42 A G H > S+ 0 0 61 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.912 122.0 49.8 -55.1 -45.6 4.0 10.6 26.2 29 43 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 109.3 51.9 -60.8 -43.9 7.4 9.5 24.8 30 44 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.937 111.6 46.1 -58.0 -48.9 7.5 12.6 22.6 31 45 A M H X S+ 0 0 57 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.893 110.5 52.9 -63.5 -39.4 6.9 14.9 25.5 32 46 A Q H X S+ 0 0 50 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.927 112.1 45.1 -61.2 -44.8 9.5 13.2 27.7 33 47 A I H X S+ 0 0 27 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.880 110.8 54.5 -67.9 -39.1 12.2 13.6 25.1 34 48 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.928 107.7 49.2 -61.6 -43.2 11.1 17.2 24.5 35 49 A V H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.890 109.7 51.6 -65.2 -38.1 11.6 18.0 28.2 36 50 A E H X S+ 0 0 127 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.887 110.1 50.2 -62.2 -39.1 15.0 16.4 28.2 37 51 A A H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.883 108.3 51.7 -66.1 -39.1 15.8 18.6 25.2 38 52 A W H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 38,-0.2 0.876 108.9 51.5 -65.1 -39.2 14.6 21.7 27.0 39 53 A D H X S+ 0 0 65 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.901 109.9 49.2 -61.4 -42.0 16.8 20.8 29.9 40 54 A R H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 7,-0.2 0.906 109.9 51.3 -66.1 -43.2 19.8 20.4 27.6 41 55 A V H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.952 116.1 41.2 -56.6 -49.5 19.1 23.8 25.9 42 56 A D H < S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.854 123.0 37.1 -69.0 -35.5 19.0 25.6 29.3 43 57 A N H < S+ 0 0 129 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.650 95.2 81.0 -99.7 -17.9 21.9 23.8 31.0 44 58 A D >< - 0 0 47 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.1 -0.814 60.1-159.5 -95.3 112.4 24.5 23.3 28.2 45 59 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.755 89.3 65.8 -66.0 -18.9 26.5 26.5 27.8 46 60 A D T 3 S+ 0 0 75 -3,-0.1 2,-0.6 2,-0.0 -5,-0.1 0.730 83.9 86.6 -72.2 -21.0 27.5 25.4 24.3 47 61 A I < + 0 0 0 -3,-1.7 -35,-0.2 -7,-0.2 -36,-0.1 -0.719 46.1 165.7 -81.4 121.9 23.9 25.6 23.1 48 62 A R + 0 0 16 -37,-3.1 2,-0.3 -2,-0.6 -36,-0.2 0.534 64.3 10.5-106.1 -14.6 23.1 29.1 21.9 49 63 A C E -b 12 0A 0 -38,-1.4 -36,-2.1 28,-0.2 2,-0.3 -0.981 60.3-146.3-160.7 160.6 19.8 28.5 20.1 50 64 A C E -bc 13 79A 0 28,-2.2 30,-2.7 -2,-0.3 2,-0.4 -0.984 3.9-155.3-138.3 143.7 17.1 25.8 19.5 51 65 A I E -bc 14 80A 0 -38,-2.7 -36,-3.4 -2,-0.3 2,-0.5 -0.970 5.5-160.6-117.2 133.5 14.9 24.9 16.6 52 66 A L E +bc 15 81A 0 28,-2.6 30,-2.2 -2,-0.4 2,-0.2 -0.984 28.2 147.2-112.0 123.8 11.6 23.1 16.9 53 67 A T E -b 16 0A 6 -38,-2.6 -36,-2.8 -2,-0.5 2,-0.3 -0.819 36.9-120.1-143.7 179.5 10.3 21.3 13.8 54 68 A G E -b 17 0A 10 28,-0.5 3,-0.4 -38,-0.3 -36,-0.2 -0.923 23.9-118.3-129.8 152.4 8.2 18.3 12.8 55 69 A A S > S+ 0 0 19 -38,-2.5 3,-1.5 -2,-0.3 -36,-0.1 -0.438 81.8 21.0 -83.9 158.2 9.0 15.3 10.6 56 70 A G T 3 S- 0 0 61 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.548 127.8 -55.0 70.4 16.2 7.5 14.1 7.4 57 71 A G T 3 S+ 0 0 40 1,-0.4 2,-0.3 -3,-0.4 -1,-0.3 0.561 115.3 95.3 91.3 10.7 5.8 17.3 6.2 58 72 A Y < - 0 0 86 -3,-1.5 -1,-0.4 27,-0.2 27,-0.2 -0.852 54.3-159.6-121.3 162.1 3.8 18.0 9.3 59 73 A F 0 0 0 27,-2.2 -4,-0.2 -2,-0.3 28,-0.2 0.740 360.0 360.0-100.1 -82.2 4.5 20.2 12.3 60 74 A C 0 0 18 26,-0.7 31,-0.8 -6,-0.1 -36,-0.2 -0.929 360.0 360.0-162.5 360.0 2.2 18.7 15.0 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 97 A D > 0 0 119 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 -1.3 20.1 37.7 63 98 A P T 3 + 0 0 81 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.409 360.0 86.3 -77.3 8.8 -2.0 21.0 34.1 64 99 A S T 3 S+ 0 0 97 1,-0.2 2,-0.4 8,-0.0 0, 0.0 0.643 96.2 44.1 -72.5 -18.0 -1.3 24.8 34.6 65 100 A R < + 0 0 159 -3,-1.8 2,-0.4 7,-0.1 7,-0.2 -0.982 63.0 167.2-127.7 118.5 2.4 23.9 33.9 66 101 A I B > -F 71 0B 34 5,-2.4 5,-2.0 -2,-0.4 3,-0.4 -0.906 14.2-168.3-127.7 101.0 3.2 21.5 31.1 67 102 A D T > 5S+ 0 0 30 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.889 83.5 56.0 -60.6 -42.0 7.0 21.7 30.4 68 103 A A T 3 5S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.1 -36,-0.0 0.873 110.7 45.4 -60.0 -34.5 7.0 19.8 27.1 69 104 A L T 3 5S- 0 0 25 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.269 112.5-118.1 -96.1 10.8 4.5 22.3 25.6 70 105 A L T < 5 + 0 0 1 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.889 67.4 140.4 58.2 40.3 6.3 25.4 27.0 71 106 A K B +g 109 0C 0 21,-2.3 23,-0.6 -28,-0.2 5,-0.5 -0.197 26.2 147.2-135.1 38.9 0.1 22.8 12.6 88 123 A I E > 5 -g 110 0C 41 3,-0.2 3,-1.4 21,-0.2 2,-0.4 -0.437 62.4 -12.6 -78.7 149.9 -3.5 22.7 13.8 89 124 A A T >>5S+ 0 0 26 21,-2.3 4,-2.1 1,-0.3 3,-0.7 -0.475 140.5 23.4 69.4-117.3 -4.4 22.4 17.5 90 125 A G H 3>5S+ 0 0 26 -2,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.826 123.6 56.3 -48.6 -39.8 -1.3 21.4 19.4 91 126 A G H <>5S+ 0 0 0 -3,-1.4 4,-1.9 -31,-0.8 -1,-0.2 0.891 108.3 44.7 -66.9 -41.7 1.0 22.8 16.8 92 127 A T H <>< S+ 0 0 15 -4,-2.1 3,-0.9 2,-0.2 4,-0.3 0.953 111.9 42.7 -65.5 -50.0 -0.4 26.2 20.7 94 129 A I H >< S+ 0 0 4 -4,-2.7 3,-2.3 1,-0.3 4,-0.4 0.880 103.6 68.1 -68.8 -30.1 3.2 25.3 21.0 95 130 A L H >< S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.3 0.858 92.0 61.8 -48.6 -39.9 4.1 27.7 18.2 96 131 A Q T << S+ 0 0 1 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.612 97.6 56.6 -70.0 -10.7 3.1 30.5 20.7 97 132 A G T < S+ 0 0 2 -3,-2.3 -22,-0.3 -4,-0.3 -1,-0.3 0.431 92.8 88.3 -96.1 -2.6 5.9 29.4 23.1 98 133 A T < - 0 0 1 -3,-1.7 -18,-0.2 -4,-0.4 3,-0.1 -0.578 66.8-149.4 -89.5 162.0 8.5 29.9 20.3 99 134 A D S S+ 0 0 48 -20,-2.5 2,-0.4 1,-0.3 -19,-0.2 0.861 78.1 31.0-100.5 -42.4 10.3 33.2 19.7 100 135 A I E S-d 80 0A 55 -21,-1.7 -19,-2.8 2,-0.0 2,-0.4 -0.949 75.0-157.1-128.0 140.3 11.1 33.4 16.0 101 136 A R E -d 81 0A 22 -2,-0.4 58,-2.0 -21,-0.2 59,-1.6 -0.966 16.5-177.3-140.2 117.4 8.9 31.7 13.4 102 137 A V E -de 82 160A 0 -21,-2.6 -19,-2.9 -2,-0.4 2,-0.4 -0.952 11.7-171.0-112.5 129.6 9.3 30.3 9.9 103 138 A A E -de 83 161A 0 57,-2.7 59,-2.1 -2,-0.4 -19,-0.2 -0.968 20.2-130.1-121.9 133.1 6.3 28.8 8.0 104 139 A A E > - e 0 162A 0 -21,-3.0 3,-2.1 -2,-0.4 45,-0.2 -0.477 36.8-103.5 -71.2 152.2 6.4 27.0 4.7 105 140 A E T 3 S+ 0 0 115 57,-2.3 44,-0.7 1,-0.3 45,-0.4 0.822 120.0 45.0 -45.5 -42.8 3.8 28.3 2.1 106 141 A S T 3 S+ 0 0 74 42,-0.1 -1,-0.3 43,-0.1 -22,-0.1 0.431 83.6 125.3 -88.6 1.6 1.4 25.3 2.6 107 142 A A < - 0 0 0 -3,-2.1 42,-0.8 -24,-0.2 2,-0.4 -0.267 46.8-153.0 -59.1 146.8 1.5 25.4 6.4 108 143 A K E -gH 86 148C 82 -23,-1.6 -21,-2.3 40,-0.2 2,-0.3 -0.985 10.0-169.5-127.6 132.6 -1.9 25.7 8.1 109 144 A F E +gH 87 147C 1 38,-2.5 38,-3.2 -2,-0.4 2,-0.2 -0.862 20.5 128.1-118.2 153.9 -2.5 27.1 11.5 110 145 A G E -g 88 0C 2 -23,-0.6 -21,-2.3 -2,-0.3 2,-0.5 -0.838 46.2-132.7 170.4 158.1 -5.6 27.2 13.8 111 146 A I + 0 0 3 34,-0.4 3,-0.4 29,-0.3 33,-0.1 -0.904 34.0 164.6-123.3 94.0 -7.0 26.4 17.3 112 147 A S >> + 0 0 5 -2,-0.5 3,-1.4 1,-0.2 4,-0.6 0.337 36.2 113.0-101.2 10.5 -10.1 24.4 16.6 113 148 A E G >4>S+ 0 0 33 1,-0.3 5,-2.1 2,-0.2 3,-1.6 0.854 73.8 58.3 -49.3 -44.0 -10.7 23.0 20.0 114 149 A A G >45S+ 0 0 54 -3,-0.4 3,-1.5 27,-0.3 -1,-0.3 0.816 93.6 66.5 -63.0 -27.8 -13.9 25.1 20.5 115 150 A K G <45S+ 0 0 110 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.789 110.4 36.8 -57.3 -30.1 -15.4 23.5 17.3 116 151 A W G <<5S- 0 0 170 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.192 119.5-107.3-110.4 14.4 -15.5 20.2 19.3 117 152 A S T < 5S+ 0 0 113 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.834 78.2 130.9 57.7 37.0 -16.4 21.7 22.7 118 153 A L < - 0 0 108 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.784 55.9-125.4-108.4 158.4 -12.9 21.1 24.0 119 154 A Y - 0 0 159 -2,-0.3 2,-0.6 -3,-0.1 0, 0.0 -0.871 28.6-109.4-104.8 140.3 -10.7 23.7 25.8 120 155 A P > - 0 0 17 0, 0.0 3,-0.7 0, 0.0 5,-0.4 -0.581 30.2-172.2 -74.5 116.9 -7.2 24.5 24.5 121 156 A M T 3 S+ 0 0 94 -2,-0.6 -31,-0.0 1,-0.2 -2,-0.0 0.450 70.1 75.9 -90.6 -2.0 -4.8 23.1 27.1 122 157 A G T 3 S- 0 0 5 -52,-0.0 -1,-0.2 -33,-0.0 -56,-0.0 0.280 111.4-100.8 -94.3 8.1 -1.7 24.6 25.6 123 158 A G S X> S+ 0 0 15 -3,-0.7 4,-2.1 -52,-0.1 3,-1.4 0.452 78.0 133.6 92.1 5.5 -2.2 28.2 26.8 124 159 A S H 3> + 0 0 1 1,-0.3 4,-2.0 2,-0.2 5,-0.4 0.794 67.2 63.8 -55.5 -34.3 -3.6 29.8 23.6 125 160 A A H 34 S+ 0 0 45 -5,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.750 113.1 36.7 -65.7 -23.5 -6.5 31.6 25.5 126 161 A V H <4 S+ 0 0 80 -3,-1.4 -2,-0.2 2,-0.1 4,-0.2 0.878 125.3 34.8 -83.2 -50.4 -3.8 33.5 27.4 127 162 A R H >X S+ 0 0 30 -4,-2.1 3,-1.5 1,-0.2 4,-0.7 0.805 98.5 68.6 -85.3 -35.8 -1.2 34.1 24.7 128 163 A L H >X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.3 3,-1.6 0.901 98.9 52.1 -62.2 -42.6 -2.8 34.6 21.3 129 164 A V H 34 S+ 0 0 55 -5,-0.4 -1,-0.3 1,-0.3 5,-0.2 0.668 110.4 52.4 -64.0 -16.2 -4.3 38.0 22.1 130 165 A R H <4 S+ 0 0 148 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.558 114.4 40.6 -90.9 -12.9 -0.9 39.1 23.3 131 166 A Q H << S+ 0 0 57 -3,-1.6 -2,-0.2 -4,-0.7 -3,-0.1 0.593 120.3 25.3-115.3 -22.7 0.9 38.0 20.0 132 167 A I S < S- 0 0 10 -4,-1.9 24,-0.1 -5,-0.2 -1,-0.1 -0.866 107.6 -59.1-133.6 172.3 -1.5 39.0 17.2 133 168 A P >> - 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