==== 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 1UKA . 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) . 11573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 72.3 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 . 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 0.4 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 . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.4 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 3 1 0 2 1 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 0 118 0, 0.0 3,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.5 27.8 29.4 -16.4 2 4 A L T 3 + 0 0 123 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.634 360.0 72.5 -61.9 -14.4 28.6 32.3 -14.0 3 5 A E T 3 S+ 0 0 20 36,-0.1 2,-0.5 2,-0.1 36,-0.3 0.709 83.1 82.2 -74.3 -17.6 25.3 31.7 -12.3 4 6 A I < + 0 0 94 -3,-2.1 3,-0.1 1,-0.1 60,-0.0 -0.766 58.7 152.7 -88.8 125.3 26.8 28.5 -10.9 5 7 A G - 0 0 36 -2,-0.5 2,-0.2 1,-0.4 13,-0.2 0.227 48.0 -28.6-118.0-119.7 28.8 29.3 -7.8 6 8 A K E -A 17 0A 105 11,-3.4 11,-2.4 -2,-0.0 2,-0.4 -0.610 54.8-132.8-102.3 165.0 29.7 27.2 -4.7 7 9 A S E +A 16 0A 79 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.959 28.2 161.1-124.5 139.5 27.7 24.4 -3.2 8 10 A I E -A 15 0A 35 7,-1.7 7,-3.3 -2,-0.4 2,-0.6 -0.992 40.8-112.0-154.6 147.1 26.7 23.8 0.4 9 11 A L E +A 14 0A 114 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.715 42.0 172.2 -81.7 122.3 24.2 21.8 2.4 10 12 A A E > -A 13 0A 1 3,-2.4 3,-2.1 -2,-0.6 76,-0.2 -0.982 67.4 -13.8-136.9 123.2 21.8 24.2 4.1 11 13 A A T 3 S- 0 0 61 -2,-0.4 -1,-0.1 74,-0.3 3,-0.1 0.861 129.3 -56.3 54.5 35.3 18.6 23.2 6.0 12 14 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 73,-0.1 -1,-0.3 0.529 117.4 112.1 76.4 6.5 19.1 19.8 4.3 13 15 A V E < S-A 10 0A 11 -3,-2.1 -3,-2.4 69,-0.1 2,-0.5 -0.950 73.1-122.2-117.6 129.4 19.1 21.2 0.8 14 16 A L E -A 9 0A 75 -2,-0.5 53,-2.9 -5,-0.2 2,-0.4 -0.562 42.6-158.7 -67.0 118.0 22.1 21.3 -1.5 15 17 A T E -A 8 0A 1 -7,-3.3 -7,-1.7 -2,-0.5 2,-0.4 -0.879 19.3-145.7-114.8 132.4 22.4 25.0 -2.2 16 18 A N E +A 7 0A 10 -2,-0.4 43,-2.9 43,-0.3 2,-0.3 -0.758 38.5 155.2 -88.5 131.6 24.1 27.0 -4.9 17 19 A Y E -AB 6 58A 21 -11,-2.4 -11,-3.4 -2,-0.4 2,-0.4 -0.985 39.4-128.6-154.8 164.4 25.5 30.3 -3.7 18 20 A H E - B 0 57A 24 39,-1.7 39,-2.6 -2,-0.3 2,-0.4 -0.922 18.2-174.6-116.6 143.0 28.0 33.0 -4.2 19 21 A D E + B 0 56A 23 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.893 15.7 160.0-142.4 103.7 30.4 34.2 -1.4 20 22 A V E + B 0 55A 65 35,-2.4 35,-3.9 -2,-0.4 2,-0.1 -0.985 38.7 17.1-132.2 139.7 32.6 37.2 -2.2 21 23 A G - 0 0 29 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.299 67.4-100.7 98.1 176.0 34.5 39.6 0.1 22 24 A E + 0 0 174 28,-0.5 2,-0.3 31,-0.3 -2,-0.0 -0.951 69.2 34.6-138.5 157.3 35.6 39.7 3.7 23 25 A G S S+ 0 0 58 -2,-0.3 30,-0.1 30,-0.2 29,-0.0 -0.810 97.2 26.1 107.7-146.1 34.3 41.3 6.9 24 26 A Q S S- 0 0 69 28,-0.4 30,-2.4 -2,-0.3 2,-0.2 -0.355 84.2-118.6 -58.6 129.0 30.7 42.0 8.1 25 27 A P E -c 54 0A 19 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.495 28.8-173.2 -77.0 141.4 28.4 39.5 6.4 26 28 A V E -cd 55 96A 0 28,-2.5 30,-3.0 69,-0.2 2,-0.6 -0.998 11.2-152.0-132.6 124.9 25.6 40.7 4.1 27 29 A I E -cd 56 97A 3 69,-2.9 71,-2.9 -2,-0.4 2,-0.6 -0.885 7.4-157.7-100.7 124.5 23.0 38.2 2.8 28 30 A L E - d 0 98A 0 28,-3.0 2,-0.6 -2,-0.6 71,-0.2 -0.900 5.4-164.5-103.0 123.7 21.4 39.1 -0.6 29 31 A I E - d 0 99A 0 69,-3.2 71,-2.8 -2,-0.6 74,-0.2 -0.928 13.9-140.2-113.6 113.6 18.0 37.5 -1.3 30 32 A H - 0 0 0 -2,-0.6 73,-0.2 28,-0.5 8,-0.1 -0.043 16.5-111.0 -65.7 166.1 16.9 37.6 -4.9 31 33 A G - 0 0 1 6,-0.2 2,-0.3 71,-0.2 70,-0.1 -0.127 35.1 -96.3 -85.8-171.9 13.3 38.2 -6.1 32 34 A S + 0 0 15 68,-0.1 70,-0.1 31,-0.0 -1,-0.1 -0.808 61.3 109.3-110.2 152.7 11.0 35.8 -7.7 33 35 A G S > S- 0 0 7 -2,-0.3 3,-1.7 3,-0.1 2,-0.2 -0.789 72.4 -55.7 158.2 160.8 10.4 35.3 -11.4 34 36 A P T 3 S+ 0 0 11 0, 0.0 142,-0.2 0, 0.0 141,-0.1 -0.424 122.3 2.0 -65.0 125.9 11.1 32.7 -14.2 35 37 A G T 3 S+ 0 0 8 1,-0.2 5,-0.1 141,-0.2 141,-0.1 0.479 92.3 152.6 78.7 2.6 14.8 31.9 -14.4 36 38 A V < + 0 0 6 -3,-1.7 28,-1.2 4,-0.1 2,-0.3 -0.315 12.2 161.9 -66.4 148.8 15.7 34.2 -11.5 37 39 A S > - 0 0 0 26,-0.1 4,-1.8 27,-0.1 5,-0.2 -0.935 53.2 -96.7-155.6 170.6 18.8 33.3 -9.5 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.916 123.3 46.5 -62.9 -42.9 21.2 35.1 -7.1 39 41 A Y H > S+ 0 0 58 -36,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.928 110.4 51.5 -66.1 -45.2 23.7 35.9 -9.9 40 42 A A H 4 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.869 118.4 39.7 -59.0 -36.9 21.1 37.2 -12.3 41 43 A N H < S+ 0 0 0 -4,-1.8 3,-0.2 1,-0.1 -2,-0.2 0.867 128.1 27.8 -79.8 -39.9 19.7 39.5 -9.6 42 44 A W H >X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 3,-1.7 0.284 76.8 113.5-112.8 12.0 22.9 40.6 -8.0 43 45 A R T 3< S+ 0 0 114 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.803 89.6 40.3 -53.6 -32.5 25.7 40.5 -10.6 44 46 A L T 34 S+ 0 0 58 -3,-0.2 4,-0.3 -4,-0.1 -1,-0.3 0.461 118.1 49.0 -95.7 -2.2 26.0 44.3 -10.5 45 47 A T T <> S+ 0 0 0 -3,-1.7 4,-2.4 2,-0.1 5,-0.3 0.806 98.2 62.0-102.3 -43.4 25.7 44.5 -6.8 46 48 A I H X S+ 0 0 15 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.900 100.3 54.4 -53.0 -48.3 28.1 41.9 -5.5 47 49 A P H 4 S+ 0 0 64 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.911 113.1 42.4 -54.3 -46.7 31.2 43.6 -7.0 48 50 A A H >4 S+ 0 0 33 -4,-0.3 3,-0.9 -3,-0.2 4,-0.2 0.939 119.8 41.1 -67.2 -49.8 30.5 46.9 -5.3 49 51 A L H >X S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 4,-1.9 0.852 104.2 65.6 -68.7 -36.0 29.5 45.6 -1.9 50 52 A S T 3< S+ 0 0 17 -4,-3.0 -28,-0.5 -5,-0.3 -1,-0.2 0.569 87.1 72.6 -65.3 -7.9 32.2 42.9 -1.7 51 53 A K T <4 S+ 0 0 139 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.719 118.3 15.5 -77.7 -19.8 34.8 45.7 -1.5 52 54 A F T <4 S+ 0 0 130 -3,-2.0 -28,-0.4 -4,-0.2 2,-0.3 0.502 128.9 37.5-128.6 -11.9 33.7 46.4 2.0 53 55 A Y S < S- 0 0 16 -4,-1.9 2,-0.8 -30,-0.1 -31,-0.3 -0.895 79.1-104.7-139.5 166.3 31.6 43.4 3.1 54 56 A R E - c 0 25A 64 -30,-2.4 -28,-2.5 -2,-0.3 2,-0.6 -0.867 44.3-155.3 -92.1 115.6 31.4 39.6 2.9 55 57 A V E -Bc 20 26A 2 -35,-3.9 -35,-2.4 -2,-0.8 2,-0.5 -0.852 13.9-173.3-103.2 121.1 28.6 39.1 0.4 56 58 A I E +Bc 19 27A 0 -30,-3.0 -28,-3.0 -2,-0.6 -37,-0.2 -0.947 5.7 175.6-113.6 120.8 26.6 35.9 0.4 57 59 A A E -B 18 0A 0 -39,-2.6 -39,-1.7 -2,-0.5 2,-0.2 -0.865 9.3-176.0-130.1 98.1 24.0 35.4 -2.3 58 60 A P E -B 17 0A 1 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.571 31.5-117.2 -92.8 154.9 22.2 32.0 -2.4 59 61 A D - 0 0 0 -43,-2.9 -43,-0.3 -2,-0.2 3,-0.1 -0.828 39.9-126.3 -87.9 118.1 19.7 30.6 -4.9 60 62 A M > - 0 0 0 -2,-0.7 3,-2.4 1,-0.1 6,-0.3 -0.334 39.3 -80.9 -63.7 148.3 16.6 30.2 -2.8 61 63 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 18,-0.1 7,-0.1 -0.239 121.8 27.1 -52.8 130.6 15.1 26.7 -2.9 62 64 A G T 3 S+ 0 0 1 5,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.252 113.4 80.8 98.9 -11.1 13.0 26.3 -6.0 63 65 A F S X S- 0 0 5 -3,-2.4 3,-1.3 4,-0.1 -1,-0.3 -0.844 89.4 -12.9-124.7 161.3 15.1 28.9 -7.9 64 66 A G T 3 S- 0 0 1 -28,-1.2 -27,-0.1 -2,-0.3 -60,-0.1 -0.106 114.8 -31.4 52.3-140.9 18.4 28.9 -9.7 65 67 A F T 3 S+ 0 0 53 -62,-0.3 -1,-0.2 -49,-0.1 2,-0.1 0.211 98.1 117.0-100.2 14.4 20.8 25.9 -9.3 66 68 A T S < S- 0 0 1 -3,-1.3 -51,-0.2 -6,-0.3 -4,-0.2 -0.482 80.7 -85.7 -76.3 153.6 19.9 25.0 -5.7 67 69 A D - 0 0 82 -53,-2.9 -5,-0.5 -2,-0.1 -4,-0.1 -0.294 31.9-141.5 -61.2 145.6 18.4 21.5 -5.5 68 70 A R - 0 0 66 -7,-0.1 -1,-0.1 -6,-0.1 3,-0.1 -0.841 23.4-142.3-111.0 89.8 14.6 21.2 -6.0 69 71 A P > - 0 0 43 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.188 22.1-105.0 -53.6 138.8 13.5 18.6 -3.4 70 72 A E T 3 S+ 0 0 175 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.466 103.9 3.5 -68.0 134.8 10.8 16.1 -4.5 71 73 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.765 93.0 170.2 60.7 25.8 7.4 17.0 -3.0 72 74 A Y < - 0 0 58 -3,-1.6 2,-0.9 1,-0.1 -1,-0.2 -0.431 33.4-131.4 -69.2 142.7 9.0 20.0 -1.4 73 75 A N - 0 0 113 -3,-0.1 2,-0.5 -2,-0.1 5,-0.2 -0.808 16.8-152.1-100.6 97.4 6.6 22.5 0.2 74 76 A Y + 0 0 40 -2,-0.9 2,-0.3 113,-0.1 3,-0.1 -0.552 37.7 138.0 -70.9 119.4 7.4 26.0 -1.0 75 77 A S > - 0 0 33 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.981 65.9-102.8-157.2 162.2 6.3 28.4 1.7 76 78 A K H > S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.931 121.4 47.1 -53.9 -50.3 7.4 31.6 3.5 77 79 A D H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 111.4 49.7 -63.5 -37.6 8.4 29.6 6.6 78 80 A S H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 111.5 49.4 -69.3 -36.6 10.3 27.0 4.6 79 81 A W H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.894 110.0 50.5 -68.7 -38.6 12.2 29.7 2.7 80 82 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.913 108.2 54.0 -63.2 -39.9 13.0 31.5 6.0 81 83 A D H X S+ 0 0 63 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 107.2 51.4 -60.6 -36.4 14.3 28.1 7.2 82 84 A H H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.927 108.9 49.6 -66.7 -45.4 16.5 27.9 4.1 83 85 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 114.2 44.8 -59.0 -48.0 18.0 31.4 4.8 84 86 A I H X S+ 0 0 8 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.881 111.5 54.2 -64.5 -36.9 18.7 30.5 8.4 85 87 A G H X S+ 0 0 9 -4,-2.2 4,-2.6 -5,-0.2 -74,-0.3 0.876 107.9 49.8 -64.0 -37.0 20.1 27.1 7.3 86 88 A I H X S+ 0 0 2 -4,-2.3 4,-1.5 -76,-0.2 -2,-0.2 0.925 111.9 47.5 -67.1 -44.8 22.5 28.9 4.9 87 89 A M H <>S+ 0 0 1 -4,-2.2 5,-3.2 2,-0.2 4,-0.2 0.921 113.3 48.6 -62.5 -43.8 23.6 31.3 7.7 88 90 A D H ><5S+ 0 0 92 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.929 108.7 53.4 -61.2 -47.0 24.1 28.3 10.1 89 91 A A H 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 114.4 42.0 -58.7 -31.4 26.1 26.4 7.5 90 92 A L T 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.279 112.6-116.5 -99.8 9.0 28.4 29.3 7.0 91 93 A E T < 5 + 0 0 128 -3,-1.6 2,-1.0 1,-0.2 -3,-0.2 0.842 59.0 157.4 58.8 34.7 28.7 30.1 10.7 92 94 A I < + 0 0 8 -5,-3.2 -1,-0.2 -6,-0.2 3,-0.1 -0.809 15.7 177.9 -92.4 100.5 27.1 33.5 10.1 93 95 A E + 0 0 128 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.835 68.7 3.9 -74.7 -34.9 25.7 34.4 13.5 94 96 A K S S+ 0 0 93 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.985 73.9 166.8-150.6 141.5 24.3 37.8 12.6 95 97 A A E - e 0 118A 0 22,-1.9 24,-2.5 -2,-0.3 2,-0.2 -0.988 37.1-108.7-153.9 161.6 24.2 39.6 9.2 96 98 A H E -d 26 0A 1 -71,-2.2 -69,-2.9 -2,-0.3 2,-0.4 -0.605 38.7-149.5 -84.2 155.4 22.7 42.5 7.3 97 99 A I E -de 27 121A 0 23,-2.5 25,-2.3 -2,-0.2 2,-0.5 -0.996 15.1-164.8-134.8 134.8 20.1 41.4 4.7 98 100 A V E -de 28 122A 0 -71,-2.9 -69,-3.2 -2,-0.4 2,-0.5 -0.981 16.3-169.5-115.1 118.6 19.1 42.9 1.4 99 101 A G E -de 29 123A 0 23,-3.0 25,-2.7 -2,-0.5 2,-0.7 -0.948 10.8-153.5-117.8 124.2 15.8 41.5 0.1 100 102 A N E > - e 0 124A 0 -71,-2.8 3,-2.7 -2,-0.5 2,-0.2 -0.840 57.0 -64.7 -98.0 115.5 14.5 42.1 -3.4 101 103 A A T >> S+ 0 0 6 23,-3.6 26,-2.4 -2,-0.7 4,-1.8 -0.260 138.3 22.9 51.9-109.4 10.8 41.9 -3.8 102 104 A F H 3> S+ 0 0 4 1,-0.3 4,-1.7 -2,-0.2 3,-0.4 0.918 129.5 52.0 -48.0 -45.6 9.9 38.3 -3.0 103 105 A G H <> S+ 0 0 0 -3,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.763 102.6 58.3 -65.0 -26.5 13.2 38.3 -1.1 104 106 A G H <> S+ 0 0 0 -3,-1.0 4,-2.1 20,-0.3 -1,-0.2 0.861 103.9 51.7 -70.9 -35.7 12.2 41.4 0.8 105 107 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.4 -2,-0.2 0.909 111.3 47.8 -65.3 -40.4 9.2 39.5 2.1 106 108 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.870 108.1 55.1 -67.5 -37.3 11.5 36.8 3.3 107 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.933 109.4 46.7 -61.6 -46.4 13.9 39.2 4.9 108 110 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.936 113.5 48.7 -60.2 -47.3 11.1 40.7 7.0 109 111 A A H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.864 111.7 49.6 -62.0 -36.9 9.9 37.2 7.9 110 112 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.924 109.1 51.3 -68.8 -43.3 13.4 36.2 8.9 111 113 A A H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 111.7 49.4 -64.1 -27.0 13.9 39.3 11.0 112 114 A L H < S+ 0 0 47 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 0.864 119.2 34.2 -80.4 -38.6 10.6 38.5 12.8 113 115 A R H < S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.775 134.6 26.9 -86.0 -29.0 11.3 34.8 13.6 114 116 A Y S >X S+ 0 0 72 -4,-2.9 3,-2.2 -5,-0.2 4,-0.6 -0.406 70.2 159.1-131.8 55.6 15.1 35.2 14.1 115 117 A S G >4 S+ 0 0 37 -3,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.820 74.0 55.8 -49.1 -39.4 15.5 38.8 15.3 116 118 A E G 34 S+ 0 0 147 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.667 103.1 56.4 -72.1 -14.1 18.9 38.2 16.9 117 119 A R G <4 S+ 0 0 48 -3,-2.2 -22,-1.9 -7,-0.2 2,-0.5 0.575 99.0 70.8 -91.6 -11.4 20.3 36.8 13.6 118 120 A V E << +e 95 0A 3 -3,-1.0 -22,-0.2 -4,-0.6 3,-0.1 -0.921 49.6 170.6-114.8 130.7 19.4 40.0 11.6 119 121 A D E + 0 0 47 -24,-2.5 2,-0.2 -2,-0.5 -23,-0.2 0.678 64.8 0.4 -97.3-102.2 21.2 43.4 11.9 120 122 A R E - 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0 0 51 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.208 42.7 -45.1 -64.9 154.1 -0.8 29.1 -8.7 191 193 A E S S+ 0 0 107 1,-0.1 2,-0.1 2,-0.1 -53,-0.0 -0.305 119.4 51.0 -60.8 142.0 -4.1 31.0 -9.3 192 194 A P S > S- 0 0 75 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.423 72.6-177.6 -78.0 133.8 -5.6 32.7 -7.4 193 195 A R T >> + 0 0 31 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.635 67.3 79.7 -78.1 -12.9 -2.3 34.5 -6.8 194 196 A Q H 3> S+ 0 0 48 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.866 86.0 66.2 -59.8 -33.1 -3.5 37.0 -4.1 195 197 A R H <> S+ 0 0 109 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.869 102.2 45.4 -53.3 -41.4 -3.2 34.1 -1.7 196 198 A W H <> S+ 0 0 70 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.2 0.805 108.3 53.7 -77.7 -31.1 0.5 34.1 -2.1 197 199 A I H X S+ 0 0 4 -4,-1.4 4,-1.1 2,-0.2 -69,-0.3 0.949 114.4 44.7 -65.3 -45.5 1.0 37.8 -1.8 198 200 A D H < S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.872 111.4 52.3 -64.8 -38.9 -0.9 37.5 1.5 199 201 A A H < S+ 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.829 110.5 48.2 -67.4 -32.6 1.0 34.4 2.6 200 202 A L H < S+ 0 0 6 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.686 98.8 91.4 -80.3 -19.8 4.4 36.2 2.0 201 203 A A < - 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