==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-03 1UKB . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-7-METHYLOCTA-2,4-DIENOATE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.FUSHINOBU,S.-Y.JUN,M.HIDAKA,H.NOJIRI,H.YAMANE,H.SHOUN, . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.1 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 . 1 0.4 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 . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 32.8 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+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 2 1 2 0 0 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A N > 0 0 116 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.2 27.2 29.2 -16.5 2 4 A L T 3 + 0 0 124 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.629 360.0 72.9 -65.3 -13.2 28.1 32.0 -14.1 3 5 A E T 3 S+ 0 0 18 36,-0.1 2,-0.5 2,-0.1 36,-0.3 0.704 84.1 78.6 -74.4 -18.3 24.7 31.5 -12.3 4 6 A I < + 0 0 93 -3,-1.8 3,-0.1 1,-0.1 60,-0.0 -0.799 61.4 152.1 -91.5 126.7 26.1 28.3 -10.9 5 7 A G - 0 0 36 -2,-0.5 13,-0.2 1,-0.4 2,-0.2 0.195 46.8 -21.9-120.1-120.3 28.4 29.0 -7.9 6 8 A K E -A 17 0A 106 11,-3.2 11,-2.4 -2,-0.0 2,-0.4 -0.543 56.5-133.4 -96.0 164.4 29.3 27.0 -4.8 7 9 A S E +A 16 0A 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.959 27.7 161.9-124.4 138.3 27.3 24.2 -3.2 8 10 A I E -A 15 0A 35 7,-1.9 7,-3.2 -2,-0.4 2,-0.5 -0.993 39.9-113.6-153.5 145.7 26.4 23.6 0.4 9 11 A L E +A 14 0A 116 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.704 42.2 171.6 -81.0 123.0 23.9 21.5 2.4 10 12 A A E > -A 13 0A 2 3,-2.3 3,-2.3 -2,-0.5 76,-0.2 -0.980 66.2 -14.1-138.4 124.2 21.5 23.9 4.1 11 13 A A T 3 S- 0 0 56 -2,-0.4 3,-0.1 74,-0.3 -1,-0.1 0.847 128.9 -57.1 54.4 32.3 18.3 23.0 6.0 12 14 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 73,-0.1 -1,-0.3 0.562 117.2 112.9 77.5 8.6 18.7 19.6 4.3 13 15 A V E < S-A 10 0A 5 -3,-2.3 -3,-2.3 69,-0.1 2,-0.6 -0.955 73.1-122.0-118.2 129.5 18.7 21.1 0.8 14 16 A L E -A 9 0A 78 -2,-0.5 53,-2.9 -5,-0.2 2,-0.4 -0.574 43.0-159.6 -68.4 114.8 21.7 21.1 -1.5 15 17 A T E -A 8 0A 1 -7,-3.2 -7,-1.9 -2,-0.6 2,-0.4 -0.844 18.6-145.7-110.8 134.1 22.0 24.8 -2.1 16 18 A N E +A 7 0A 10 -2,-0.4 43,-2.8 43,-0.3 2,-0.3 -0.769 37.5 153.9 -90.9 134.4 23.7 26.8 -4.9 17 19 A Y E -AB 6 58A 21 -11,-2.4 -11,-3.2 -2,-0.4 2,-0.4 -0.990 39.4-127.6-157.5 165.3 25.2 30.1 -3.7 18 20 A H E - B 0 57A 25 39,-1.8 39,-2.4 -2,-0.3 2,-0.4 -0.911 18.6-174.7-117.2 145.3 27.8 32.8 -4.2 19 21 A D E + B 0 56A 23 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.909 14.9 159.8-144.7 107.7 30.2 34.0 -1.5 20 22 A V E + B 0 55A 65 35,-2.4 35,-3.6 -2,-0.4 2,-0.1 -0.997 38.7 16.5-136.6 137.7 32.5 36.9 -2.2 21 23 A G - 0 0 31 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.307 66.8 -99.4 99.7 176.0 34.4 39.3 0.1 22 24 A E + 0 0 175 28,-0.5 2,-0.3 31,-0.4 -2,-0.0 -0.930 69.2 34.7-136.6 159.8 35.4 39.4 3.7 23 25 A G S S+ 0 0 59 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.786 97.0 26.1 105.7-145.9 34.2 41.1 6.9 24 26 A Q S S- 0 0 67 28,-0.4 30,-2.3 -2,-0.3 2,-0.2 -0.368 83.9-119.0 -59.6 127.7 30.6 41.8 8.1 25 27 A P E -c 54 0A 19 0, 0.0 71,-2.1 0, 0.0 2,-0.4 -0.497 29.4-173.8 -76.5 140.0 28.3 39.3 6.4 26 28 A V E -cd 55 96A 0 28,-2.5 30,-2.9 69,-0.2 2,-0.5 -0.997 10.9-152.2-132.4 124.2 25.5 40.5 4.2 27 29 A I E -cd 56 97A 3 69,-2.8 71,-3.1 -2,-0.4 2,-0.5 -0.872 5.8-158.1-102.0 125.3 22.9 38.1 2.8 28 30 A L E - d 0 98A 0 28,-2.9 2,-0.6 -2,-0.5 71,-0.2 -0.905 5.9-164.6-104.0 125.5 21.2 39.0 -0.6 29 31 A I E - d 0 99A 0 69,-3.1 71,-2.9 -2,-0.5 74,-0.2 -0.942 13.9-139.9-115.8 116.0 17.9 37.4 -1.2 30 32 A H - 0 0 0 -2,-0.6 73,-0.7 28,-0.5 8,-0.1 0.049 16.1-102.9 -67.3 173.9 16.5 37.4 -4.8 31 33 A G - 0 0 4 6,-0.2 70,-0.1 71,-0.2 -1,-0.1 0.105 30.5-109.2 -81.6-162.4 13.1 38.0 -6.3 32 34 A S + 0 0 12 2,-0.0 3,-0.1 31,-0.0 69,-0.0 0.010 61.9 128.6-128.3 33.5 10.6 35.4 -7.7 33 35 A G S > S- 0 0 10 1,-0.1 3,-1.8 4,-0.1 2,-0.2 -0.308 70.3 -74.7 -83.2 170.4 10.4 35.7 -11.4 34 36 A P T 3 S+ 0 0 14 0, 0.0 142,-0.2 0, 0.0 -1,-0.1 -0.440 119.3 8.3 -66.1 130.8 10.8 32.9 -14.0 35 37 A G T 3 S+ 0 0 8 1,-0.2 5,-0.1 141,-0.2 142,-0.1 0.533 93.2 157.6 77.6 6.0 14.4 31.8 -14.4 36 38 A V < + 0 0 12 -3,-1.8 28,-1.1 4,-0.1 2,-0.3 -0.262 11.0 167.1 -64.8 149.8 15.5 34.0 -11.5 37 39 A S > - 0 0 0 26,-0.1 4,-2.1 27,-0.1 5,-0.2 -0.960 49.6-103.5-155.2 163.2 18.7 33.2 -9.6 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.918 121.9 47.4 -58.7 -43.7 20.9 34.9 -7.1 39 41 A Y H > S+ 0 0 68 -36,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.936 109.5 51.3 -64.7 -47.4 23.5 35.7 -9.8 40 42 A A H 4 S+ 0 0 14 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.889 118.1 40.3 -56.8 -39.6 20.9 37.1 -12.3 41 43 A N H < S+ 0 0 3 -4,-2.1 3,-0.2 1,-0.1 -2,-0.2 0.891 128.3 28.0 -75.5 -42.2 19.5 39.3 -9.5 42 44 A W H >X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 3,-1.3 0.266 76.8 113.6-110.7 13.5 22.8 40.4 -7.9 43 45 A R T 3< S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.3 -3,-0.1 0.785 90.1 39.3 -55.8 -30.2 25.5 40.3 -10.6 44 46 A L T 34 S+ 0 0 61 -3,-0.2 4,-0.3 -4,-0.1 -1,-0.3 0.495 117.5 50.6 -97.5 -4.6 26.0 44.1 -10.4 45 47 A T T <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.1 5,-0.3 0.824 99.0 60.2 -98.6 -42.1 25.6 44.3 -6.6 46 48 A I H X S+ 0 0 15 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.909 100.9 53.8 -55.6 -49.1 28.0 41.7 -5.4 47 49 A P H 4 S+ 0 0 63 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.902 113.6 43.0 -54.7 -43.6 31.1 43.3 -6.9 48 50 A A H >4 S+ 0 0 31 -4,-0.3 3,-1.0 1,-0.2 4,-0.2 0.957 119.6 39.8 -68.6 -52.6 30.4 46.7 -5.3 49 51 A L H >X S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-2.0 0.845 104.3 67.3 -67.7 -34.5 29.4 45.4 -1.8 50 52 A S T 3< S+ 0 0 16 -4,-3.0 -28,-0.5 -5,-0.3 -1,-0.2 0.601 86.1 72.0 -64.2 -9.9 32.1 42.7 -1.6 51 53 A K T <4 S+ 0 0 143 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.720 118.3 16.3 -76.6 -19.0 34.7 45.4 -1.5 52 54 A F T <4 S+ 0 0 133 -3,-2.1 -28,-0.4 -4,-0.2 2,-0.3 0.506 129.0 35.3-128.5 -12.5 33.6 46.2 2.1 53 55 A Y S < S- 0 0 17 -4,-2.0 2,-0.8 -30,-0.2 -31,-0.4 -0.878 79.5-103.7-139.3 169.0 31.6 43.2 3.2 54 56 A R E - c 0 25A 65 -30,-2.3 -28,-2.5 -2,-0.3 2,-0.6 -0.888 44.0-155.6 -95.5 114.4 31.3 39.4 2.9 55 57 A V E -Bc 20 26A 1 -35,-3.6 -35,-2.4 -2,-0.8 2,-0.5 -0.838 13.7-173.7-101.8 121.7 28.4 38.9 0.4 56 58 A I E +Bc 19 27A 0 -30,-2.9 -28,-2.9 -2,-0.6 -37,-0.2 -0.955 5.1 176.1-114.9 123.5 26.4 35.7 0.4 57 59 A A E -B 18 0A 0 -39,-2.4 -39,-1.8 -2,-0.5 2,-0.2 -0.875 9.3-176.8-131.9 99.6 23.8 35.2 -2.3 58 60 A P E -B 17 0A 1 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.572 31.7-117.5 -95.4 157.2 22.0 31.9 -2.4 59 61 A D - 0 0 0 -43,-2.8 -43,-0.3 -2,-0.2 3,-0.1 -0.852 40.7-124.4 -90.4 118.2 19.4 30.5 -4.7 60 62 A M > - 0 0 0 -2,-0.7 3,-2.6 1,-0.1 6,-0.3 -0.315 37.7 -84.6 -63.0 146.5 16.3 29.9 -2.6 61 63 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 18,-0.1 7,-0.1 -0.282 121.5 29.5 -54.4 129.7 14.9 26.4 -2.6 62 64 A G T 3 S+ 0 0 2 5,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.223 114.3 77.5 102.0 -11.5 12.6 26.1 -5.6 63 65 A F S X S- 0 0 6 -3,-2.6 3,-1.4 4,-0.2 -1,-0.3 -0.854 89.2 -10.8-128.3 162.9 14.6 28.6 -7.6 64 66 A G T 3 S- 0 0 1 -28,-1.1 -27,-0.1 -2,-0.3 -60,-0.1 -0.160 115.5 -31.3 53.8-138.4 17.8 28.8 -9.5 65 67 A F T 3 S+ 0 0 48 -62,-0.2 -1,-0.2 -49,-0.1 2,-0.1 0.226 100.5 114.7-102.2 13.7 20.2 25.9 -9.3 66 68 A T S < S- 0 0 2 -3,-1.4 -51,-0.2 -6,-0.3 -4,-0.2 -0.472 81.4 -84.7 -77.4 155.5 19.4 24.9 -5.7 67 69 A D - 0 0 81 -53,-2.9 -5,-0.6 -2,-0.1 -4,-0.2 -0.278 29.8-145.8 -62.4 147.6 17.8 21.4 -5.4 68 70 A R - 0 0 67 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.828 24.7-143.1-115.7 84.7 14.1 21.2 -5.8 69 71 A P > - 0 0 43 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.169 24.8 -99.5 -50.0 136.4 13.2 18.3 -3.4 70 72 A E T 3 S+ 0 0 181 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.396 106.0 0.1 -61.8 128.6 10.5 15.9 -4.4 71 73 A N T 3 S+ 0 0 153 1,-0.2 -1,-0.3 -2,-0.1 2,-0.0 0.730 91.0 173.9 63.8 23.3 7.2 16.9 -2.7 72 74 A Y < - 0 0 59 -3,-1.9 2,-1.0 1,-0.1 -1,-0.2 -0.352 32.0-128.9 -62.6 140.9 8.9 19.8 -1.0 73 75 A N - 0 0 121 2,-0.0 2,-0.3 5,-0.0 5,-0.1 -0.781 23.9-157.5 -97.7 96.2 6.5 22.0 1.0 74 76 A Y + 0 0 56 -2,-1.0 2,-0.3 4,-0.1 3,-0.1 -0.527 30.1 137.1 -75.0 133.5 7.1 25.5 -0.1 75 77 A S > - 0 0 37 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.974 66.5 -98.4-167.2 162.9 6.0 28.2 2.3 76 78 A K H > S+ 0 0 52 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.930 125.6 47.6 -54.4 -46.0 7.1 31.5 3.9 77 79 A D H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 110.2 50.7 -65.3 -38.0 8.2 29.6 6.9 78 80 A S H > S+ 0 0 20 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 110.7 49.3 -67.7 -37.7 10.1 26.9 4.9 79 81 A W H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.881 109.5 51.6 -68.5 -36.8 11.9 29.6 3.0 80 82 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.919 108.6 52.4 -63.5 -41.6 12.8 31.3 6.3 81 83 A D H X S+ 0 0 63 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.854 107.5 52.1 -61.8 -35.4 14.1 28.0 7.5 82 84 A H H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.933 108.8 49.5 -66.9 -45.1 16.3 27.7 4.4 83 85 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.938 114.3 44.7 -58.6 -47.9 17.8 31.2 5.0 84 86 A I H X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.881 111.4 54.1 -64.4 -37.1 18.6 30.2 8.6 85 87 A G H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.2 -74,-0.3 0.885 108.7 49.0 -63.1 -38.8 19.9 26.9 7.4 86 88 A I H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.924 112.5 47.6 -66.2 -44.7 22.2 28.7 5.0 87 89 A M H <>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 4,-0.3 0.932 113.5 48.0 -63.0 -44.2 23.4 31.0 7.8 88 90 A D H ><5S+ 0 0 94 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.925 109.3 53.1 -61.2 -46.3 23.9 28.1 10.2 89 91 A A H 3<5S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.2 42.5 -59.1 -32.9 25.8 26.1 7.5 90 92 A L T 3<5S- 0 0 24 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.313 112.0-117.3 -97.5 8.1 28.2 29.0 7.0 91 93 A E T < 5 + 0 0 129 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.849 58.7 157.4 59.2 35.0 28.6 29.9 10.7 92 94 A I < + 0 0 7 -5,-3.1 -1,-0.2 -6,-0.2 3,-0.1 -0.819 16.1 178.4 -93.0 102.6 27.0 33.3 10.0 93 95 A E + 0 0 124 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.851 67.9 2.9 -75.6 -36.8 25.7 34.2 13.5 94 96 A K S S+ 0 0 103 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.982 73.7 166.9-151.0 139.2 24.3 37.6 12.6 95 97 A A E - e 0 118A 0 22,-2.0 24,-2.6 -2,-0.3 -69,-0.2 -0.984 36.8-109.0-152.1 161.6 24.1 39.4 9.3 96 98 A H E -d 26 0A 2 -71,-2.1 -69,-2.8 -2,-0.3 2,-0.4 -0.583 38.4-147.9 -83.5 155.4 22.5 42.3 7.4 97 99 A I E -de 27 121A 0 23,-2.5 25,-2.4 -71,-0.2 2,-0.6 -0.995 15.5-164.4-134.4 132.3 19.9 41.2 4.8 98 100 A V E -de 28 122A 0 -71,-3.1 -69,-3.1 -2,-0.4 2,-0.6 -0.965 17.2-170.2-111.8 113.0 19.0 42.7 1.5 99 101 A G E -de 29 123A 0 23,-3.0 25,-2.3 -2,-0.6 2,-0.7 -0.927 9.1-156.6-112.7 120.4 15.7 41.3 0.3 100 102 A N E > - e 0 124A 2 -71,-2.9 3,-2.4 -2,-0.6 2,-0.2 -0.840 56.8 -63.1 -97.4 115.5 14.4 42.0 -3.2 101 103 A A T >> S+ 0 0 8 23,-3.2 26,-2.3 -2,-0.7 4,-1.7 -0.275 139.0 23.6 52.7-111.6 10.6 41.7 -3.6 102 104 A F H >> S+ 0 0 5 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.929 129.7 51.0 -43.9 -51.0 9.9 38.0 -2.7 103 105 A G H <> S+ 0 0 0 -3,-2.4 4,-2.2 -73,-0.7 -1,-0.3 0.762 102.2 60.0 -61.4 -28.0 13.2 38.1 -0.8 104 106 A G H <> S+ 0 0 0 -3,-1.2 4,-2.1 20,-0.2 -1,-0.2 0.875 104.3 49.4 -68.7 -36.8 12.1 41.3 1.1 105 107 A G H X + 0 0 56 -4,-3.1 3,-2.3 -5,-0.2 4,-0.6 -0.429 68.4 158.5-131.3 57.4 15.0 35.0 14.3 115 117 A S G >4 S+ 0 0 52 -3,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.840 73.4 59.1 -50.1 -39.5 15.5 38.6 15.5 116 118 A E G 34 S+ 0 0 121 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.658 103.2 53.5 -68.4 -13.6 18.9 37.8 17.0 117 119 A R G <4 S+ 0 0 35 -3,-2.3 -22,-2.0 -7,-0.2 2,-0.5 0.561 98.2 72.9 -97.2 -9.9 20.2 36.6 13.6 118 120 A V E << +e 95 0A 3 -3,-1.1 -22,-0.2 -4,-0.6 3,-0.1 -0.914 47.4 170.1-114.3 130.2 19.3 39.8 11.7 119 121 A D E - 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0 0 19 -2,-0.7 2,-0.1 63,-0.1 3,-0.1 -0.951 48.7 -88.1-133.6 150.5 -1.6 44.9 -1.4 132 134 A D - 0 0 140 -2,-0.3 62,-0.0 1,-0.1 -2,-0.0 -0.417 55.3 -97.7 -64.3 131.6 -4.0 44.1 -4.2 133 135 A V - 0 0 57 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.172 41.9-141.0 -49.6 135.7 -2.5 41.8 -6.8 134 136 A T > - 0 0 30 90,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.628 19.0-119.8 -98.2 159.2 -1.2 43.8 -9.8 135 137 A E H > S+ 0 0 134 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.860 115.7 59.3 -65.6 -31.1 -1.4 42.8 -13.4 136 138 A G H > S+ 0 0 7 87,-0.7 4,-2.2 2,-0.2 88,-0.2 0.939 108.8 39.9 -62.0 -49.4 2.4 43.0 -13.4 137 139 A L H > S+ 0 0 12 87,-0.4 4,-3.0 86,-0.4 5,-0.3 0.894 114.3 53.4 -69.2 -38.2 2.8 40.4 -10.6 138 140 A N H X S+ 0 0 39 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.870 111.5 47.2 -64.1 -35.0 0.0 38.2 -12.1 139 141 A A H < S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 112.5 49.4 -71.1 -42.3 1.8 38.3 -15.4 140 142 A V H >< S+ 0 0 3 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.957 117.4 39.0 -61.6 -52.1 5.2 37.5 -13.8 141 143 A W H 3< S+ 0 0 10 -4,-3.0 48,-0.2 1,-0.2 -1,-0.2 0.750 115.2 54.9 -71.3 -22.4 3.8 34.5 -11.8 142 144 A G T 3< S+ 0 0 27 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.248 80.5 145.8 -94.7 13.5 1.6 33.4 -14.7 143 145 A Y < - 0 0 10 -3,-1.2 -3,-0.1 -4,-0.1 7,-0.0 -0.182 29.8-169.3 -54.4 138.2 4.5 33.3 -17.2 144 146 A T - 0 0 89 2,-0.1 5,-0.1 -110,-0.0 -2,-0.1 -0.978 40.2 -91.4-125.2 136.1 4.5 30.6 -19.9 145 147 A P S S+ 0 0 39 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.264 71.2 111.6 -59.8 132.0 7.8 30.2 -21.8 146 148 A S > - 0 0 33 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.795 68.8-113.6 173.6 149.0 8.4 32.2 -25.0 147 149 A I H > S+ 0 0 90 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.860 118.7 51.0 -64.8 -32.2 10.8 35.0 -26.0 148 150 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 109.8 48.2 -71.3 -40.2 7.8 37.3 -26.5 149 151 A N H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.880 113.6 48.0 -67.3 -35.9 6.3 36.5 -23.0 150 152 A M H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.898 108.4 54.1 -70.3 -39.8 9.8 37.0 -21.5 151 153 A R H X S+ 0 0 52 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 107.8 51.1 -59.9 -40.7 10.2 40.3 -23.3 152 154 A N H X S+ 0 0 76 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 110.5 48.4 -63.4 -40.6 6.8 41.5 -21.9 153 155 A L H X S+ 0 0 8 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.904 110.1 50.7 -66.8 -40.3 8.0 40.5 -18.4 154 156 A L H X S+ 0 0 30 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.897 109.9 51.4 -63.8 -37.1 11.3 42.4 -18.8 155 157 A D H < S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 108.8 51.1 -64.7 -38.1 9.2 45.4 -20.0 156 158 A I H < S+ 0 0 12 -4,-1.9 67,-0.7 1,-0.2 94,-0.3 0.846 110.4 50.8 -66.5 -34.9 7.1 45.1 -16.9 157 159 A F H < S+ 0 0 37 -4,-2.0 93,-2.0 -5,-0.1 94,-0.7 0.805 106.9 55.9 -74.4 -33.5 10.2 45.0 -14.7 158 160 A A < - 0 0 12 -4,-1.7 3,-0.1 91,-0.2 90,-0.1 -0.748 57.4-152.0-113.0 155.6 12.0 48.1 -16.1 159 161 A Y S S+ 0 0 85 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.915 93.5 56.3 -79.5 -49.0 11.3 51.8 -16.6 160 162 A D > - 0 0 66 1,-0.2 3,-1.9 87,-0.1 -1,-0.2 -0.735 65.3-173.6 -90.7 96.5 13.7 52.2 -19.5 161 163 A R G > S+ 0 0 138 -2,-1.1 3,-1.9 1,-0.3 -1,-0.2 0.646 75.0 80.3 -64.4 -15.4 12.5 49.6 -22.1 162 164 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.725 85.9 62.7 -64.1 -17.8 15.5 50.4 -24.3 163 165 A L G < S+ 0 0 87 -3,-1.9 2,-1.2 1,-0.1 -1,-0.3 0.647 82.1 88.5 -79.7 -16.1 17.4 48.1 -22.0 164 166 A V < + 0 0 13 -3,-1.9 2,-0.2 -4,-0.2 -1,-0.1 -0.709 63.8 174.5 -87.4 95.3 15.1 45.2 -23.0 165 167 A T > - 0 0 65 -2,-1.2 4,-2.3 1,-0.1 5,-0.2 -0.531 46.3-111.2 -98.3 165.9 17.0 43.8 -26.0 166 168 A D H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.868 119.6 53.5 -62.1 -36.3 16.3 40.7 -28.1 167 169 A E H > S+ 0 0 122 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.923 108.4 47.2 -65.4 -45.7 19.5 39.2 -26.7 168 170 A L H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.923 113.1 48.7 -62.8 -43.8 18.4 39.7 -23.1 169 171 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.910 113.3 48.7 -62.1 -40.6 14.9 38.3 -23.8 170 172 A R H X S+ 0 0 125 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.940 112.3 47.2 -63.7 -48.9 16.5 35.3 -25.5 171 173 A L H X S+ 0 0 83 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.887 115.2 44.3 -62.8 -41.0 19.0 34.7 -22.6 172 174 A R H X S+ 0 0 45 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.811 110.8 55.1 -75.2 -28.5 16.3 35.0 -19.9 173 175 A Y H X S+ 0 0 66 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.946 108.9 48.6 -65.7 -46.6 13.9 32.9 -21.9 174 176 A E H >< S+ 0 0 99 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.890 109.0 52.6 -60.3 -39.7 16.6 30.2 -22.1 175 177 A A H >< S+ 0 0 7 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.888 106.1 55.7 -63.8 -35.9 17.2 30.4 -18.3 176 178 A S H 3< S+ 0 0 1 -4,-1.8 6,-0.4 1,-0.2 -1,-0.2 0.704 106.3 49.6 -70.9 -20.2 13.4 29.9 -17.8 177 179 A I T << S+ 0 0 79 -4,-1.0 -1,-0.2 -3,-0.6 3,-0.2 0.256 77.0 129.9-104.0 14.1 13.3 26.7 -19.7 178 180 A Q S X> S- 0 0 35 -3,-1.1 3,-2.2 -4,-0.2 4,-0.6 -0.275 80.0 -62.1 -62.6 155.2 16.2 24.9 -18.0 179 181 A P T 34 S- 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.116 120.4 -6.7 -43.5 120.5 15.4 21.4 -16.8 180 182 A G T 3> S+ 0 0 29 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 0.291 103.1 110.4 76.4 -9.5 12.6 21.5 -14.1 181 183 A F H <> S+ 0 0 14 -3,-2.2 4,-2.2 2,-0.2 -4,-0.1 0.968 81.0 37.1 -62.1 -58.6 12.6 25.3 -13.9 182 184 A Q H X S+ 0 0 30 -4,-0.6 4,-3.0 -6,-0.4 5,-0.3 0.859 113.8 58.9 -64.6 -36.0 9.2 26.1 -15.5 183 185 A E H > S+ 0 0 123 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.934 113.0 37.0 -59.4 -47.6 7.6 23.0 -13.9 184 186 A S H < S+ 0 0 15 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.841 117.5 53.2 -75.1 -32.1 8.4 24.1 -10.4 185 187 A F H >X S+ 0 0 8 -4,-2.2 3,-1.3 -5,-0.2 4,-1.0 0.949 106.7 49.3 -67.3 -50.0 7.7 27.8 -11.2 186 188 A S H 3< S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 115.0 46.1 -62.2 -25.1 4.3 27.3 -12.6 187 189 A S T 3< S+ 0 0 82 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.481 99.8 73.3 -95.7 -2.6 3.3 25.2 -9.6 188 190 A M T <4 S+ 0 0 14 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.922 110.2 17.1 -77.2 -46.8 4.8 27.7 -7.1 189 191 A F S < S+ 0 0 6 -4,-1.0 -1,-0.2 -48,-0.2 -2,-0.1 -0.422 82.5 175.4-126.8 58.7 2.3 30.6 -7.2 190 192 A P - 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