==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-02 1IUP . COMPND 2 MOLECULE: META-CLEAVAGE PRODUCT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.FUSHINOBU,T.SAKU,M.HIDAKA,S.-Y.JUN,H.NOJIRI,H.YAMANE, . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 70.8 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 . 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 . 24 8.9 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 . 88 32.5 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 1 1 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 0 113 0, 0.0 3,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.7 27.4 29.3 -16.3 2 4 A L T 3 + 0 0 131 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.636 360.0 72.2 -63.5 -14.7 28.4 32.2 -14.0 3 5 A E T 3 S+ 0 0 18 36,-0.1 2,-0.5 2,-0.1 36,-0.3 0.669 83.9 81.8 -75.0 -15.1 25.1 31.8 -12.2 4 6 A I < + 0 0 88 -3,-2.0 3,-0.1 1,-0.1 2,-0.0 -0.786 58.5 151.7 -91.7 129.2 26.5 28.6 -10.7 5 7 A G - 0 0 36 -2,-0.5 13,-0.2 1,-0.4 2,-0.2 0.152 47.5 -23.2-122.4-121.1 28.8 29.3 -7.7 6 8 A K E -A 17 0A 107 11,-3.1 11,-2.5 -2,-0.0 -1,-0.4 -0.550 56.1-133.5 -96.8 165.0 29.7 27.3 -4.6 7 9 A S E +A 16 0A 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.950 27.1 163.0-124.2 141.6 27.7 24.5 -3.1 8 10 A I E -A 15 0A 35 7,-1.6 7,-3.2 -2,-0.4 2,-0.5 -0.988 40.0-112.2-154.9 145.7 26.8 23.9 0.6 9 11 A L E +A 14 0A 111 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.706 42.5 172.3 -81.2 122.7 24.2 21.8 2.5 10 12 A A E > -A 13 0A 1 3,-2.4 3,-2.1 -2,-0.5 76,-0.2 -0.981 65.9 -14.3-137.4 124.2 21.8 24.2 4.2 11 13 A A T 3 S- 0 0 60 -2,-0.4 -1,-0.1 74,-0.3 3,-0.1 0.860 129.2 -55.9 53.5 35.3 18.6 23.2 6.1 12 14 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 73,-0.1 -1,-0.3 0.553 118.1 110.8 76.6 8.8 19.1 19.8 4.4 13 15 A V E < S-A 10 0A 7 -3,-2.1 -3,-2.4 69,-0.1 2,-0.5 -0.963 73.7-121.3-121.2 129.7 19.1 21.2 0.9 14 16 A L E -A 9 0A 78 -2,-0.4 53,-2.9 -5,-0.2 2,-0.4 -0.554 42.6-158.6 -67.2 117.2 22.1 21.3 -1.4 15 17 A T E -A 8 0A 1 -7,-3.2 -7,-1.6 -2,-0.5 2,-0.4 -0.871 18.3-145.2-113.3 131.8 22.4 25.1 -2.0 16 18 A N E +A 7 0A 9 -2,-0.4 43,-2.8 43,-0.3 2,-0.3 -0.748 38.3 155.2 -87.7 131.9 24.1 27.1 -4.8 17 19 A Y E -AB 6 58A 21 -11,-2.5 -11,-3.1 -2,-0.4 2,-0.4 -0.991 39.1-130.6-155.8 162.4 25.5 30.4 -3.5 18 20 A H E - B 0 57A 23 39,-1.7 39,-2.4 -2,-0.3 2,-0.4 -0.908 17.5-173.5-115.9 145.2 28.1 33.1 -4.1 19 21 A D E + B 0 56A 24 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.910 15.2 161.4-143.1 106.8 30.4 34.3 -1.3 20 22 A V E + B 0 55A 64 35,-2.4 35,-3.5 -2,-0.4 2,-0.1 -0.995 39.2 14.8-134.9 135.0 32.6 37.3 -2.0 21 23 A G - 0 0 30 -2,-0.4 2,-0.3 33,-0.3 33,-0.2 -0.285 67.8 -98.1 99.7 173.9 34.4 39.7 0.3 22 24 A E + 0 0 171 28,-0.5 2,-0.3 31,-0.3 -2,-0.0 -0.928 69.1 31.2-135.0 158.4 35.4 39.9 3.9 23 25 A G S S+ 0 0 56 -2,-0.3 30,-0.1 30,-0.2 29,-0.0 -0.785 96.3 30.0 105.7-145.2 34.1 41.4 7.1 24 26 A Q S S- 0 0 67 28,-0.4 30,-2.2 -2,-0.3 2,-0.2 -0.341 84.3-118.4 -57.4 125.8 30.6 42.2 8.2 25 27 A P E -c 54 0A 21 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.457 30.4-175.5 -73.0 138.8 28.2 39.6 6.6 26 28 A V E -cd 55 96A 0 28,-2.4 30,-3.0 69,-0.2 2,-0.5 -0.994 10.8-154.4-134.4 123.4 25.5 40.8 4.2 27 29 A I E -cd 56 97A 2 69,-2.9 71,-2.9 -2,-0.4 2,-0.5 -0.882 5.6-157.2-102.3 127.1 22.9 38.3 2.8 28 30 A L E - d 0 98A 0 28,-2.8 2,-0.6 -2,-0.5 71,-0.2 -0.911 5.7-162.4-104.1 124.7 21.3 39.2 -0.6 29 31 A I E - d 0 99A 0 69,-3.4 71,-2.7 -2,-0.5 74,-0.2 -0.927 12.8-141.4-113.0 115.1 18.0 37.6 -1.3 30 32 A H - 0 0 0 -2,-0.6 73,-0.2 28,-0.5 8,-0.1 -0.003 17.3-106.6 -66.3 170.9 16.8 37.5 -4.9 31 33 A G - 0 0 5 6,-0.2 70,-0.1 71,-0.2 -1,-0.1 0.033 30.1-103.8 -84.5-163.3 13.2 38.0 -6.2 32 34 A S + 0 0 14 31,-0.0 3,-0.1 2,-0.0 69,-0.0 -0.010 62.7 131.5-121.7 33.7 10.8 35.5 -7.7 33 35 A G > - 0 0 14 1,-0.1 3,-1.8 4,-0.1 2,-0.2 -0.347 69.8 -79.9 -80.2 165.2 10.8 35.9 -11.5 34 36 A P T 3 S+ 0 0 12 0, 0.0 142,-0.2 0, 0.0 -1,-0.1 -0.448 118.4 10.8 -65.4 131.8 11.1 32.9 -13.9 35 37 A G T 3 S+ 0 0 9 1,-0.2 5,-0.1 141,-0.2 142,-0.1 0.489 93.7 155.9 79.6 3.1 14.7 31.9 -14.3 36 38 A V < + 0 0 12 -3,-1.8 28,-1.2 4,-0.1 2,-0.3 -0.225 12.2 167.0 -63.8 151.1 15.8 34.1 -11.4 37 39 A S > - 0 0 0 26,-0.1 4,-2.2 27,-0.1 5,-0.2 -0.958 49.3-102.9-155.9 163.8 19.0 33.4 -9.5 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.918 121.8 46.0 -59.2 -43.6 21.1 35.2 -6.9 39 41 A Y H > S+ 0 0 60 -36,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.921 110.0 52.2 -67.1 -44.5 23.7 36.0 -9.6 40 42 A A H 4 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.905 117.9 39.1 -57.4 -42.1 21.2 37.2 -12.2 41 43 A N H < S+ 0 0 23 -4,-2.2 3,-0.2 1,-0.1 -2,-0.2 0.868 128.6 28.6 -75.6 -39.7 19.7 39.5 -9.6 42 44 A W H >X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 3,-2.2 0.361 77.3 111.4-110.7 6.9 22.9 40.7 -7.9 43 45 A R T 3< S+ 0 0 115 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.772 88.7 43.3 -52.6 -29.8 25.7 40.6 -10.4 44 46 A L T 34 S+ 0 0 62 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.455 117.5 47.1 -95.7 -0.4 26.0 44.4 -10.5 45 47 A T T <> S+ 0 0 0 -3,-2.2 4,-2.3 2,-0.1 3,-0.3 0.784 98.5 64.4-104.5 -42.6 25.6 44.7 -6.7 46 48 A I H X S+ 0 0 12 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.887 98.9 53.3 -51.7 -49.1 28.1 42.1 -5.4 47 49 A P H 4 S+ 0 0 65 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.899 112.0 45.3 -56.6 -42.8 31.2 43.8 -6.7 48 50 A A H >4 S+ 0 0 34 -3,-0.3 3,-0.8 -4,-0.2 -2,-0.2 0.936 119.1 39.8 -67.6 -47.7 30.4 47.1 -5.1 49 51 A L H >X S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 4,-1.9 0.844 104.5 66.2 -72.1 -34.7 29.4 45.7 -1.7 50 52 A S T 3< S+ 0 0 16 -4,-3.0 -28,-0.5 1,-0.3 -1,-0.2 0.586 86.6 72.4 -65.9 -8.7 32.2 43.1 -1.5 51 53 A K T <4 S+ 0 0 140 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.692 118.6 15.4 -78.2 -16.5 34.8 45.8 -1.3 52 54 A F T <4 S+ 0 0 132 -3,-2.0 -28,-0.4 -4,-0.2 2,-0.3 0.482 128.7 37.8-131.6 -11.2 33.6 46.6 2.2 53 55 A Y S < S- 0 0 15 -4,-1.9 2,-0.8 -30,-0.1 -31,-0.3 -0.890 79.0-105.2-139.5 167.2 31.6 43.5 3.3 54 56 A R E - c 0 25A 63 -30,-2.2 -28,-2.4 -2,-0.3 2,-0.6 -0.879 43.6-155.4 -94.3 113.9 31.4 39.8 3.0 55 57 A V E -Bc 20 26A 2 -35,-3.5 -35,-2.4 -2,-0.8 2,-0.5 -0.832 14.2-173.3-101.3 122.9 28.5 39.2 0.6 56 58 A I E +Bc 19 27A 0 -30,-3.0 -28,-2.8 -2,-0.6 -37,-0.2 -0.961 5.0 177.0-114.8 120.3 26.5 36.0 0.5 57 59 A A E -B 18 0A 0 -39,-2.4 -39,-1.7 -2,-0.5 2,-0.2 -0.877 10.8-177.0-127.6 97.4 24.0 35.6 -2.3 58 60 A P E -B 17 0A 0 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.607 31.0-118.2 -96.2 154.1 22.2 32.2 -2.3 59 61 A D - 0 0 0 -43,-2.8 -43,-0.3 -2,-0.2 3,-0.1 -0.811 38.4-126.2 -87.6 118.7 19.7 30.7 -4.7 60 62 A M > - 0 0 0 -2,-0.7 3,-2.5 1,-0.1 6,-0.3 -0.361 37.9 -84.9 -64.9 145.8 16.5 30.1 -2.6 61 63 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 18,-0.1 7,-0.1 -0.241 120.9 29.2 -53.6 132.2 15.2 26.6 -2.7 62 64 A G T 3 S+ 0 0 1 5,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.263 114.3 77.8 98.5 -10.4 12.9 26.2 -5.7 63 65 A F S X S- 0 0 7 -3,-2.5 3,-1.4 4,-0.2 -1,-0.3 -0.852 90.0 -11.6-127.8 163.0 14.9 28.8 -7.6 64 66 A G T 3 S- 0 0 1 -28,-1.2 -27,-0.1 -2,-0.3 -60,-0.1 -0.117 114.9 -31.1 51.8-138.3 18.2 29.0 -9.5 65 67 A F T 3 S+ 0 0 48 -62,-0.2 -1,-0.2 -49,-0.1 2,-0.1 0.211 99.0 115.7-102.8 14.1 20.7 26.1 -9.1 66 68 A T S < S- 0 0 1 -3,-1.4 -51,-0.2 -6,-0.3 -4,-0.2 -0.488 81.2 -85.2 -77.2 153.2 19.8 25.0 -5.6 67 69 A D - 0 0 82 -53,-2.9 -5,-0.6 -2,-0.1 -4,-0.2 -0.250 31.6-143.1 -59.8 148.6 18.4 21.5 -5.3 68 70 A R - 0 0 66 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.833 22.7-144.1-115.7 87.8 14.6 21.2 -5.9 69 71 A P > - 0 0 43 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.189 23.5-102.6 -54.2 138.5 13.6 18.5 -3.4 70 72 A E T 3 S+ 0 0 177 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.422 104.2 1.3 -65.4 133.4 10.8 16.1 -4.5 71 73 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -2,-0.1 2,-0.0 0.702 92.1 173.2 61.5 20.2 7.5 16.9 -2.9 72 74 A Y < - 0 0 59 -3,-1.8 2,-1.0 1,-0.1 -1,-0.2 -0.339 32.3-129.8 -61.2 137.8 9.2 19.9 -1.2 73 75 A N - 0 0 119 -3,-0.1 2,-0.2 2,-0.0 5,-0.1 -0.760 22.6-157.0 -95.8 95.0 6.7 22.1 0.7 74 76 A Y + 0 0 47 -2,-1.0 2,-0.3 4,-0.1 3,-0.1 -0.503 31.8 134.6 -72.3 133.7 7.4 25.7 -0.4 75 77 A S > - 0 0 37 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.974 67.3 -95.6-170.4 163.2 6.3 28.4 2.0 76 78 A K H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.939 124.4 46.6 -52.4 -50.8 7.3 31.6 3.7 77 79 A D H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 110.9 50.7 -63.7 -36.3 8.4 29.6 6.8 78 80 A S H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 110.8 49.6 -69.7 -36.1 10.3 27.0 4.8 79 81 A W H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.873 109.6 51.1 -69.5 -35.8 12.2 29.7 2.9 80 82 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.923 108.5 52.7 -64.9 -41.9 13.0 31.4 6.2 81 83 A D H X S+ 0 0 62 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.877 108.0 51.5 -59.8 -38.1 14.3 28.1 7.4 82 84 A H H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.926 109.0 49.3 -65.7 -44.4 16.5 27.9 4.3 83 85 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 114.5 44.7 -60.2 -46.7 17.9 31.4 5.0 84 86 A I H X S+ 0 0 8 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.878 111.0 54.7 -65.5 -37.0 18.7 30.5 8.6 85 87 A G H X S+ 0 0 9 -4,-2.4 4,-2.4 -5,-0.2 -74,-0.3 0.868 107.8 49.6 -63.8 -35.9 20.1 27.2 7.4 86 88 A I H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.926 111.7 47.8 -68.2 -44.9 22.5 29.0 5.1 87 89 A M H <>S+ 0 0 0 -4,-2.2 5,-3.1 1,-0.2 4,-0.2 0.920 113.1 48.8 -62.4 -43.0 23.6 31.3 7.8 88 90 A D H ><5S+ 0 0 95 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.925 108.2 53.9 -62.3 -45.2 24.1 28.4 10.2 89 91 A A H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 114.5 41.3 -59.3 -32.3 26.1 26.4 7.6 90 92 A L T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.284 112.4-116.3 -99.4 9.1 28.5 29.4 7.1 91 93 A E T < 5 + 0 0 130 -3,-1.5 2,-1.0 -4,-0.2 -3,-0.2 0.853 59.0 157.5 58.1 36.2 28.7 30.2 10.8 92 94 A I < + 0 0 5 -5,-3.1 -1,-0.2 -6,-0.2 3,-0.1 -0.818 16.3 178.9 -93.0 101.0 27.1 33.6 10.2 93 95 A E + 0 0 125 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.833 68.3 3.3 -74.7 -33.9 25.7 34.5 13.6 94 96 A K S S+ 0 0 91 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.983 73.4 167.8-151.5 141.7 24.2 37.9 12.6 95 97 A A E - e 0 118A 0 22,-1.9 24,-2.7 -2,-0.3 -69,-0.2 -0.987 35.9-109.4-153.4 161.9 24.0 39.6 9.3 96 98 A H E -d 26 0A 0 -71,-2.2 -69,-2.9 -2,-0.3 2,-0.4 -0.599 37.8-147.2 -84.8 156.4 22.5 42.5 7.4 97 99 A I E -de 27 121A 0 23,-2.4 25,-2.6 -2,-0.2 2,-0.5 -0.994 15.5-167.3-133.9 134.9 19.9 41.5 4.8 98 100 A V E -de 28 122A 0 -71,-2.9 -69,-3.4 -2,-0.4 2,-0.5 -0.984 16.8-171.3-117.0 120.5 19.0 43.0 1.4 99 101 A G E -de 29 123A 0 23,-2.8 25,-2.7 -2,-0.5 2,-0.7 -0.962 15.8-150.5-123.1 130.3 15.8 41.6 -0.1 100 102 A N E > - e 0 124A 5 -71,-2.7 3,-2.7 -2,-0.5 2,-0.3 -0.853 60.2 -66.1 -98.3 112.2 14.4 42.1 -3.6 101 103 A A T >> S+ 0 0 7 23,-3.2 26,-2.4 -2,-0.7 4,-1.9 -0.259 138.4 25.1 51.2-107.3 10.6 41.9 -3.7 102 104 A F H 3> S+ 0 0 7 1,-0.3 4,-1.8 -2,-0.3 -1,-0.3 0.910 128.0 52.1 -47.9 -45.3 9.9 38.3 -2.8 103 105 A G H <> S+ 0 0 0 -3,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.780 103.8 56.3 -64.6 -28.5 13.2 38.3 -1.1 104 106 A G H <> S+ 0 0 0 -3,-1.0 4,-2.1 20,-0.2 -1,-0.2 0.855 105.0 52.0 -71.3 -35.1 12.2 41.4 0.9 105 107 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.903 110.4 48.4 -65.9 -40.1 9.2 39.6 2.2 106 108 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.854 107.8 55.6 -67.4 -35.1 11.5 36.8 3.3 107 109 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.937 109.7 45.6 -62.3 -47.1 13.8 39.3 5.0 108 110 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.931 113.0 50.2 -61.1 -47.0 11.0 40.7 7.1 109 111 A A H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.855 111.3 49.2 -60.9 -36.4 9.8 37.2 7.9 110 112 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.900 108.7 52.1 -70.5 -41.3 13.3 36.2 9.0 111 113 A A H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.812 110.9 49.4 -65.0 -29.9 13.8 39.3 11.2 112 114 A L H < S+ 0 0 47 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.874 119.7 34.4 -77.1 -38.8 10.5 38.5 12.9 113 115 A R H < S+ 0 0 100 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.775 134.3 26.7 -85.9 -29.0 11.2 34.8 13.7 114 116 A Y S >X S+ 0 0 72 -4,-2.9 3,-2.0 -5,-0.2 4,-0.6 -0.449 70.3 160.8-132.7 58.8 15.0 35.2 14.2 115 117 A S G >4 S+ 0 0 42 -3,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.836 74.2 54.3 -50.0 -41.9 15.3 38.8 15.4 116 118 A E G 34 S+ 0 0 146 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.646 103.6 57.0 -72.2 -12.3 18.8 38.3 16.9 117 119 A R G <4 S+ 0 0 50 -3,-2.0 -22,-1.9 -7,-0.2 2,-0.5 0.574 98.4 71.0 -92.5 -11.8 20.2 36.9 13.7 118 120 A V E << +e 95 0A 2 -3,-1.0 -22,-0.2 -4,-0.6 3,-0.1 -0.919 51.0 171.7-114.2 130.5 19.3 40.0 11.6 119 121 A D E - 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