==== 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 LYASE 18-JAN-99 1B6Z . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR T.PLOOM,B.THOENY,J.YIM,S.LEE,H.NAR,W.LEIMBACHER,R.HUBER,J.RI . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 4 0 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 7 A L 0 0 146 0, 0.0 2,-0.3 0, 0.0 275,-0.0 0.000 360.0 360.0 360.0-155.8 67.0 14.7 29.7 2 8 A R - 0 0 130 55,-0.0 55,-0.1 56,-0.0 2,-0.0 -0.991 360.0-101.4-134.4 142.9 66.2 15.3 26.0 3 9 A R - 0 0 212 -2,-0.3 53,-2.7 53,-0.1 2,-0.4 -0.298 34.4-140.4 -62.2 143.3 66.9 18.4 23.9 4 10 A R E +A 55 0A 146 51,-0.2 2,-0.3 49,-0.0 51,-0.2 -0.888 26.6 165.9-110.2 142.2 63.8 20.6 23.2 5 11 A A E -A 54 0A 37 49,-2.4 49,-1.8 -2,-0.4 2,-0.5 -0.877 33.9-113.2-145.2 171.9 63.1 22.3 19.8 6 12 A R E -A 53 0A 155 -2,-0.3 2,-0.5 47,-0.2 47,-0.3 -0.966 24.4-162.1-115.0 129.4 60.4 24.1 17.8 7 13 A L E -A 52 0A 41 45,-3.1 45,-3.0 -2,-0.5 2,-0.3 -0.965 10.0-171.7-114.4 125.5 59.0 22.5 14.6 8 14 A S E -A 51 0A 60 -2,-0.5 2,-0.4 43,-0.2 43,-0.2 -0.918 9.8-172.5-119.4 148.3 57.2 24.7 12.1 9 15 A R E -A 50 0A 64 41,-1.9 41,-2.2 -2,-0.3 2,-0.3 -1.000 14.1-145.0-138.6 135.8 55.2 23.9 9.0 10 16 A L E +A 49 0A 86 -2,-0.4 2,-0.3 39,-0.2 39,-0.2 -0.796 21.7 167.4-106.2 142.8 53.8 26.3 6.5 11 17 A V E -A 48 0A 22 37,-2.1 37,-3.0 -2,-0.3 2,-0.3 -0.946 16.3-150.1-143.5 161.5 50.5 26.0 4.6 12 18 A S E -A 47 0A 66 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.993 10.6-178.6-140.2 148.0 48.3 28.4 2.5 13 19 A F E -A 46 0A 3 33,-1.6 33,-2.5 -2,-0.3 2,-0.5 -0.952 23.1-127.9-141.3 154.8 44.6 28.7 1.7 14 20 A S E +A 45 0A 38 -2,-0.3 69,-2.5 31,-0.2 70,-0.8 -0.943 39.7 151.6-106.5 127.3 42.5 31.1 -0.5 15 21 A A E -Ab 44 84A 9 29,-1.8 29,-2.3 -2,-0.5 2,-0.3 -0.981 30.1-141.5-152.7 156.0 39.5 32.8 1.1 16 22 A S E +Ab 43 85A 43 68,-1.9 70,-3.1 -2,-0.3 71,-0.3 -0.802 26.2 154.3-116.2 161.8 37.4 35.9 0.8 17 23 A H E -A 42 0A 2 25,-2.8 25,-2.2 -2,-0.3 2,-0.3 -0.961 32.2-130.1-167.0-179.1 35.9 38.2 3.4 18 24 A R - 0 0 67 -2,-0.3 2,-0.8 23,-0.2 80,-0.5 -0.978 23.5-128.7-144.9 129.5 34.6 41.7 4.2 19 25 A L + 0 0 17 17,-2.6 2,-0.3 -2,-0.3 14,-0.1 -0.792 52.3 141.3 -84.0 112.1 35.7 43.6 7.3 20 26 A H - 0 0 68 -2,-0.8 78,-0.1 13,-0.0 -2,-0.1 -0.960 34.9-159.8-155.0 136.4 32.4 44.8 8.8 21 27 A S > - 0 0 19 -2,-0.3 3,-1.8 4,-0.1 8,-0.1 -0.967 13.3-154.0-120.3 126.5 30.9 45.2 12.3 22 28 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.662 96.7 67.4 -68.6 -15.0 27.1 45.4 13.0 23 29 A S T 3 S+ 0 0 108 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.515 97.1 63.8 -80.1 -8.2 28.0 47.4 16.2 24 30 A L S < S- 0 0 53 -3,-1.8 2,-0.0 1,-0.0 -3,-0.0 -0.871 89.7-114.3-116.3 150.2 29.2 50.2 14.0 25 31 A S > - 0 0 43 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.279 37.6 -95.0 -76.1 171.6 27.1 52.3 11.6 26 32 A A H > S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.892 127.9 43.1 -53.9 -40.5 27.4 52.2 7.8 27 33 A E H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 111.7 51.2 -76.2 -39.1 29.7 55.3 8.1 28 34 A E H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.938 108.5 52.9 -64.1 -44.0 31.7 54.2 11.1 29 35 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.844 110.3 48.9 -57.5 -35.1 32.5 50.9 9.3 30 36 A L H X S+ 0 0 108 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.870 112.8 46.2 -72.8 -41.4 33.7 52.9 6.3 31 37 A K H < S+ 0 0 187 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.926 119.8 39.6 -66.8 -45.6 35.9 55.1 8.4 32 38 A V H < S+ 0 0 87 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.885 130.9 24.2 -70.9 -46.9 37.4 52.2 10.4 33 39 A F H >< S+ 0 0 39 -4,-2.2 3,-1.8 -5,-0.3 4,-0.3 0.539 81.2 177.6 -99.8 -10.4 37.8 49.6 7.7 34 40 A G G >< S+ 0 0 32 -4,-1.6 3,-2.4 1,-0.3 4,-0.2 -0.062 73.3 3.3 45.7-130.4 38.0 51.7 4.4 35 41 A K G > S+ 0 0 199 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.752 126.4 67.2 -54.3 -31.4 38.6 49.7 1.3 36 42 A C G < S+ 0 0 45 -3,-1.8 -17,-2.6 1,-0.3 -1,-0.3 0.607 92.0 63.5 -67.6 -9.9 38.4 46.4 3.4 37 43 A N G < + 0 0 13 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.494 67.5 143.9 -91.4 -5.8 34.7 47.3 3.9 38 44 A N X - 0 0 79 -3,-1.7 3,-2.3 -4,-0.2 -19,-0.1 -0.062 55.8-130.7 -35.4 117.9 33.8 47.0 0.2 39 45 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.832 103.8 50.1 -51.4 -34.0 30.3 45.5 0.4 40 46 A N T 3 S- 0 0 158 1,-0.2 -2,-0.1 -22,-0.0 2,-0.1 0.529 108.8-133.3 -83.6 -2.8 31.0 42.7 -2.1 41 47 A G < - 0 0 18 -3,-2.3 2,-0.3 -4,-0.1 -23,-0.2 -0.272 13.7-127.3 87.1-178.2 34.2 41.7 -0.3 42 48 A H E -A 17 0A 55 -25,-2.2 -25,-2.8 -6,-0.1 2,-0.3 -0.920 19.2-130.0-159.2-178.7 37.7 40.8 -1.3 43 49 A G E -A 16 0A 44 -27,-0.3 2,-0.3 -2,-0.3 -27,-0.2 -0.887 10.1-159.7-146.2 174.1 40.2 38.0 -0.9 44 50 A H E -A 15 0A 37 -29,-2.3 -29,-1.8 -2,-0.3 2,-0.9 -0.986 29.1-125.8-150.7 157.4 43.7 36.7 0.0 45 51 A N E -A 14 0A 122 -2,-0.3 -31,-0.2 82,-0.3 2,-0.2 -0.922 45.3-155.4-103.0 97.4 46.1 33.9 -0.4 46 52 A Y E -A 13 0A 0 -33,-2.5 -33,-1.6 -2,-0.9 2,-0.4 -0.571 7.8-154.7 -77.0 143.6 46.7 33.5 3.4 47 53 A K E -AC 12 126A 81 79,-2.1 79,-3.4 -2,-0.2 2,-0.4 -0.982 10.4-169.3-119.9 131.0 49.9 31.9 4.6 48 54 A V E -AC 11 125A 0 -37,-3.0 -37,-2.1 -2,-0.4 2,-0.6 -0.986 10.2-166.6-125.3 128.2 50.0 30.1 8.0 49 55 A V E -AC 10 124A 26 75,-2.5 75,-2.4 -2,-0.4 2,-0.5 -0.978 11.0-165.4-113.4 117.5 53.0 28.9 9.9 50 56 A V E -AC 9 123A 0 -41,-2.2 -41,-1.9 -2,-0.6 2,-0.4 -0.921 4.5-163.0-103.6 130.7 52.1 26.7 12.8 51 57 A T E -AC 8 122A 9 71,-2.8 70,-2.7 -2,-0.5 71,-1.7 -0.959 9.2-178.6-118.3 131.8 54.8 26.0 15.4 52 58 A I E -AC 7 120A 1 -45,-3.0 -45,-3.1 -2,-0.4 2,-0.3 -0.869 9.5-159.8-119.8 157.7 54.9 23.2 17.9 53 59 A H E +A 6 0A 54 66,-2.1 2,-0.3 -2,-0.3 -47,-0.2 -0.983 28.6 115.3-138.3 150.5 57.6 22.6 20.5 54 60 A G E -A 5 0A 14 -49,-1.8 -49,-2.4 -2,-0.3 2,-0.1 -0.966 62.5 -45.1 173.1-174.3 58.7 19.6 22.5 55 61 A E E -A 4 0A 84 -2,-0.3 2,-0.5 -51,-0.2 -51,-0.2 -0.439 53.5-114.1 -79.5 150.6 61.5 17.2 23.1 56 62 A I - 0 0 58 -53,-2.7 7,-0.2 -2,-0.1 -53,-0.1 -0.747 37.6-117.3 -83.2 123.6 63.3 15.6 20.2 57 63 A D > - 0 0 61 5,-1.7 4,-1.4 -2,-0.5 -1,-0.1 -0.466 14.0-137.0 -62.4 132.4 62.6 11.9 20.3 58 64 A P T 4 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.706 98.0 35.3 -67.1 -19.3 65.8 9.8 20.9 59 65 A V T 4 S+ 0 0 132 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.888 129.4 25.7 -99.2 -57.0 64.9 7.2 18.3 60 66 A T T 4 S- 0 0 79 2,-0.1 3,-0.1 1,-0.0 -4,-0.0 0.665 92.0-135.1 -81.4 -21.9 63.1 8.9 15.4 61 67 A G < + 0 0 49 -4,-1.4 2,-0.3 1,-0.2 3,-0.1 0.700 61.2 125.8 75.1 22.2 64.7 12.3 16.0 62 68 A M - 0 0 63 1,-0.1 -5,-1.7 -7,-0.0 -1,-0.2 -0.882 57.0-154.8-118.0 146.7 61.4 14.1 15.6 63 69 A V S S- 0 0 40 1,-0.5 2,-0.3 -2,-0.3 -8,-0.2 0.888 95.6 -15.5 -75.3 -44.9 59.6 16.6 17.9 64 70 A M S S- 0 0 26 -3,-0.1 -1,-0.5 -10,-0.1 2,-0.4 -0.942 87.2 -96.4-154.0 142.5 56.3 15.5 16.2 65 71 A N >> - 0 0 63 -2,-0.3 4,-1.8 -3,-0.2 3,-1.2 -0.543 26.9-138.7 -68.3 122.5 56.1 13.6 13.0 66 72 A L H 3> S+ 0 0 47 -2,-0.4 4,-3.0 1,-0.3 5,-0.2 0.804 103.1 65.4 -50.5 -30.9 55.4 16.1 10.2 67 73 A T H 3> S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.930 105.5 42.5 -57.9 -45.0 52.9 13.6 8.8 68 74 A D H <> S+ 0 0 67 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.868 111.7 53.8 -70.5 -36.7 50.8 14.1 11.9 69 75 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 108.5 50.5 -62.8 -42.6 51.3 17.9 11.8 70 76 A K H X S+ 0 0 89 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.930 110.5 49.9 -59.9 -46.9 50.1 17.9 8.2 71 77 A E H X S+ 0 0 115 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.917 110.8 48.0 -59.5 -47.2 47.0 16.0 9.2 72 78 A Y H X S+ 0 0 65 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.902 113.6 48.0 -60.4 -44.2 46.2 18.3 12.2 73 79 A M H X>S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-1.6 0.826 108.4 53.9 -66.8 -33.7 46.6 21.4 9.9 74 80 A E H <>S+ 0 0 92 -4,-2.2 5,-3.0 3,-0.2 -2,-0.2 0.951 115.8 41.7 -61.7 -48.9 44.4 19.8 7.1 75 81 A E H <5S+ 0 0 93 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.878 123.5 34.7 -66.4 -44.3 41.7 19.3 9.7 76 82 A A H <5S+ 0 0 2 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.728 136.2 12.7 -88.4 -22.2 42.1 22.6 11.6 77 83 A I T X5S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.5 0.774 122.4 45.0-117.3 -60.5 42.9 24.9 8.7 78 84 A M H >< S+ 0 0 0 -4,-2.1 3,-1.2 3,-0.1 2,-0.2 0.757 86.0 104.7-110.9 -26.4 39.0 27.6 5.5 82 88 A D T 3< S- 0 0 48 -4,-2.4 -67,-0.2 -5,-0.5 3,-0.1 -0.392 99.9 -2.4 -67.0 129.4 40.3 26.7 2.1 83 89 A H T 3 S+ 0 0 145 -69,-2.5 -1,-0.3 1,-0.2 2,-0.3 0.896 107.5 125.2 58.3 43.2 38.3 28.1 -0.8 84 90 A K E < -b 15 0A 75 -3,-1.2 -68,-1.9 -70,-0.8 2,-0.7 -0.811 67.8-120.6-127.5 162.0 35.7 29.6 1.6 85 91 A N E > -b 16 0A 42 -2,-0.3 4,-3.2 -70,-0.2 5,-0.4 -0.964 30.6-146.7-101.4 112.2 34.1 33.1 2.2 86 92 A L H > S+ 0 0 0 -70,-3.1 4,-1.2 -2,-0.7 7,-0.4 0.879 89.4 43.3 -50.5 -50.4 35.1 33.7 5.9 87 93 A D H 4 S+ 0 0 37 -71,-0.3 -1,-0.2 1,-0.2 -70,-0.1 0.757 126.5 29.8 -72.5 -26.5 32.0 35.6 7.0 88 94 A L H 4 S+ 0 0 138 -3,-0.4 -2,-0.2 1,-0.0 -1,-0.2 0.712 122.6 43.2-107.4 -24.5 29.4 33.5 5.3 89 95 A D H < S+ 0 0 84 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.1 0.641 103.8 61.1 -98.5 -16.2 30.9 30.0 5.2 90 96 A V >< - 0 0 6 -4,-1.2 3,-2.5 -5,-0.4 -1,-0.2 -0.927 69.1-148.6-118.9 109.3 32.5 29.6 8.7 91 97 A P G > S+ 0 0 115 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.801 93.5 67.2 -36.8 -46.1 30.0 29.8 11.7 92 98 A Y G > S+ 0 0 75 1,-0.3 3,-0.6 2,-0.1 -5,-0.1 0.786 97.9 52.6 -50.6 -34.8 32.7 31.3 13.9 93 99 A F G < S+ 0 0 6 -3,-2.5 3,-0.4 -7,-0.4 -1,-0.3 0.290 77.1 98.9 -90.3 13.1 32.8 34.6 11.9 94 100 A A G < S+ 0 0 79 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.909 107.4 10.5 -62.8 -39.7 29.0 35.2 12.0 95 101 A D S < S+ 0 0 141 -3,-0.6 2,-0.4 -4,-0.3 -1,-0.2 -0.092 115.6 82.5-131.9 32.3 29.6 37.7 14.9 96 102 A V S S- 0 0 36 -3,-0.4 2,-0.1 -9,-0.1 -75,-0.0 -0.985 82.4-116.1-137.9 123.0 33.4 38.2 14.9 97 103 A V - 0 0 33 -2,-0.4 2,-1.3 1,-0.1 5,-0.2 -0.413 27.6-126.1 -58.9 132.1 35.0 40.6 12.5 98 104 A S + 0 0 0 -80,-0.5 -1,-0.1 -5,-0.2 -12,-0.1 -0.148 52.9 150.2 -79.7 45.3 37.3 38.5 10.2 99 105 A T > - 0 0 30 -2,-1.3 4,-1.9 1,-0.1 5,-0.2 -0.213 63.9-104.5 -66.4 168.0 40.6 40.5 10.8 100 106 A T H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 123.5 58.3 -61.7 -36.5 44.0 38.7 10.5 101 107 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 108.6 43.6 -56.8 -50.7 44.1 38.8 14.3 102 108 A N H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.783 109.7 55.3 -70.2 -25.8 40.8 36.9 14.5 103 109 A V H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.902 109.1 49.3 -70.6 -40.4 41.8 34.4 11.8 104 110 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 112.5 46.9 -62.4 -45.8 44.9 33.6 13.9 105 111 A V H X S+ 0 0 31 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.934 111.3 51.8 -61.0 -46.3 42.8 33.2 17.1 106 112 A Y H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 112.6 45.4 -56.7 -46.0 40.3 31.0 15.2 107 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.914 110.5 53.8 -65.9 -43.1 43.2 28.8 13.9 108 114 A W H X S+ 0 0 25 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.965 110.5 46.4 -54.1 -52.7 44.8 28.6 17.4 109 115 A E H X S+ 0 0 74 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.887 110.2 53.0 -59.5 -42.6 41.5 27.4 19.0 110 116 A N H X S+ 0 0 21 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.931 111.8 45.6 -58.4 -47.6 40.9 24.8 16.2 111 117 A L H >X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 3,-1.1 0.857 105.7 59.7 -64.3 -40.9 44.4 23.3 16.7 112 118 A Q H 3< S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.890 100.5 57.2 -55.3 -40.1 44.1 23.3 20.5 113 119 A R H 3< S+ 0 0 174 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.753 119.1 30.9 -60.6 -27.0 41.1 21.0 20.1 114 120 A L H << S+ 0 0 54 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.817 101.9 80.2-102.1 -42.4 43.3 18.5 18.2 115 121 A L S < S- 0 0 14 -4,-3.1 3,-0.1 1,-0.1 2,-0.1 -0.210 85.7 -91.5 -73.1 159.2 46.9 18.7 19.4 116 122 A P > - 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