==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-05 1ZYN . COMPND 2 MOLECULE: ALKYL HYDROPEROXIDE REDUCTASE SUBUNIT F; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR B.R.ROBERTS,Z.A.WOOD,T.J.JONSSON,L.B.POOLE,P.A.KARPLUS . 392 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.2 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 . 2 0.5 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 . 33 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 2 1 2 1 1 2 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 A M 0 0 170 0, 0.0 2,-0.3 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 166.6 30.8 13.5 -39.9 2 2 A L - 0 0 9 4,-0.1 2,-0.2 2,-0.1 81,-0.0 -0.534 360.0-141.2 -68.0 125.7 30.8 16.8 -38.1 3 3 A D >> - 0 0 81 -2,-0.3 4,-2.4 1,-0.1 3,-0.7 -0.553 30.1 -99.2 -84.8 156.4 27.9 16.9 -35.6 4 4 A T H 3> S+ 0 0 112 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.836 124.4 53.4 -42.0 -44.7 25.9 20.1 -35.2 5 5 A N H 3> S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.932 110.9 45.2 -58.3 -48.4 27.8 20.9 -32.1 6 6 A M H <> S+ 0 0 26 -3,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.899 112.9 50.7 -63.3 -43.5 31.2 20.5 -33.7 7 7 A K H X S+ 0 0 81 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.928 113.2 44.0 -62.8 -47.1 30.3 22.5 -36.8 8 8 A T H X S+ 0 0 66 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.932 116.3 47.6 -63.9 -45.6 28.9 25.4 -34.8 9 9 A Q H X S+ 0 0 73 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.907 111.1 51.4 -62.9 -41.0 31.9 25.3 -32.5 10 10 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.900 105.6 54.7 -63.3 -41.9 34.3 25.1 -35.5 11 11 A R H < S+ 0 0 115 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.914 109.8 49.9 -58.5 -40.3 32.8 28.1 -37.2 12 12 A A H >< S+ 0 0 52 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.893 111.0 45.4 -65.9 -44.9 33.4 30.0 -33.9 13 13 A Y H >< S+ 0 0 94 -4,-2.1 3,-2.3 1,-0.2 4,-0.2 0.903 104.4 63.8 -67.5 -38.1 37.1 29.1 -33.5 14 14 A L G >< S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.584 83.2 75.7 -66.0 -6.6 37.8 29.8 -37.2 15 15 A E G < S+ 0 0 156 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.776 87.7 64.9 -71.4 -22.1 37.0 33.5 -36.7 16 16 A K G < S+ 0 0 118 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.617 75.8 108.8 -74.3 -15.5 40.4 33.5 -35.0 17 17 A L < + 0 0 6 -3,-1.0 82,-0.2 -4,-0.2 78,-0.1 -0.423 37.3 172.0 -63.9 139.6 42.2 32.7 -38.2 18 18 A T + 0 0 96 80,-3.4 81,-0.2 77,-0.2 -1,-0.1 0.448 63.6 46.9-125.4 -11.5 44.1 35.7 -39.6 19 19 A K S S- 0 0 92 79,-1.5 2,-0.2 30,-0.0 -1,-0.2 -0.911 96.7 -90.7-128.0 155.5 46.1 34.1 -42.4 20 20 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.462 40.8-159.7 -72.1 139.1 44.8 31.7 -45.2 21 21 A V E -a 50 0A 0 28,-3.4 30,-2.1 48,-0.2 2,-0.4 -0.944 1.4-152.9-121.6 139.4 45.0 28.0 -44.3 22 22 A E E -aB 51 68A 10 46,-3.4 46,-2.9 -2,-0.4 2,-0.7 -0.942 7.7-156.3-119.1 136.6 45.0 25.0 -46.8 23 23 A L E -aB 52 67A 0 28,-3.2 30,-2.5 -2,-0.4 2,-0.7 -0.944 16.8-170.5-107.2 110.5 43.8 21.4 -46.2 24 24 A I E -aB 53 66A 3 42,-2.4 42,-2.7 -2,-0.7 30,-0.2 -0.893 8.3-165.0-109.0 105.3 45.7 19.3 -48.8 25 25 A A E -aB 54 65A 0 28,-2.5 30,-3.1 -2,-0.7 2,-0.5 -0.568 17.4-156.8 -92.6 151.6 44.3 15.8 -48.9 26 26 A T E + B 0 64A 0 38,-2.8 38,-1.1 -2,-0.2 2,-0.2 -0.957 31.5 173.7-126.1 108.7 45.7 12.6 -50.4 27 27 A L - 0 0 1 -2,-0.5 2,-0.2 36,-0.2 35,-0.0 -0.706 26.1-162.7-119.0 165.0 42.9 10.1 -51.1 28 28 A D - 0 0 57 -2,-0.2 299,-0.1 2,-0.1 28,-0.0 -0.550 48.2 -88.9-124.9-167.1 42.2 6.8 -52.6 29 29 A D S S+ 0 0 121 -2,-0.2 5,-0.0 4,-0.1 -2,-0.0 0.298 83.2 120.6 -93.9 12.9 38.8 5.5 -53.6 30 30 A S S > S- 0 0 45 1,-0.1 4,-1.1 3,-0.0 -2,-0.1 -0.166 74.9-114.2 -72.4 169.3 37.9 3.8 -50.3 31 31 A A H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.829 117.3 57.4 -70.9 -34.6 34.9 4.7 -48.2 32 32 A K H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 104.7 53.5 -63.1 -38.6 37.1 6.1 -45.4 33 33 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 105.0 53.8 -63.9 -33.3 38.5 8.4 -48.1 34 34 A A H X S+ 0 0 44 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.909 106.0 52.9 -67.9 -42.1 35.0 9.6 -48.9 35 35 A E H X S+ 0 0 101 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 111.0 46.5 -58.0 -45.4 34.4 10.4 -45.2 36 36 A I H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.906 110.9 51.8 -65.3 -42.0 37.5 12.6 -45.1 37 37 A K H X S+ 0 0 27 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.945 112.3 46.5 -59.5 -46.0 36.6 14.3 -48.4 38 38 A E H X S+ 0 0 106 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.833 114.1 48.4 -64.9 -34.3 33.2 15.1 -46.9 39 39 A L H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.961 111.2 47.4 -72.0 -51.1 34.6 16.3 -43.6 40 40 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.804 110.4 55.7 -61.5 -26.7 37.3 18.6 -45.2 41 41 A A H X S+ 0 0 5 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.963 108.6 45.8 -68.5 -49.6 34.6 20.0 -47.5 42 42 A E H < S+ 0 0 43 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.859 111.7 52.6 -59.8 -39.8 32.4 21.0 -44.5 43 43 A I H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.899 106.7 53.2 -64.9 -39.9 35.3 22.5 -42.7 44 44 A A H >< S+ 0 0 17 -4,-1.8 3,-1.0 1,-0.2 6,-0.4 0.781 104.3 53.1 -69.0 -29.3 36.3 24.6 -45.7 45 45 A E T 3< S+ 0 0 134 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.517 94.3 73.0 -86.7 4.0 32.9 26.2 -46.1 46 46 A L T < S+ 0 0 27 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.507 109.8 22.3 -87.3 -6.2 32.9 27.2 -42.5 47 47 A S X - 0 0 17 -3,-1.0 3,-1.0 3,-0.2 -1,-0.2 -0.959 61.7-140.1-161.6 142.0 35.5 29.9 -43.3 48 48 A D T 3 S+ 0 0 145 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.453 103.1 66.1 -80.3 -3.0 36.7 31.9 -46.3 49 49 A K T 3 S+ 0 0 64 -35,-0.1 -28,-3.4 -29,-0.1 2,-0.5 0.459 89.5 79.9 -94.5 -4.3 40.3 31.5 -45.0 50 50 A V E < -a 21 0A 8 -3,-1.0 2,-0.4 -6,-0.4 -28,-0.2 -0.917 56.4-173.6-115.6 124.8 40.2 27.7 -45.6 51 51 A T E -a 22 0A 42 -30,-2.1 -28,-3.2 -2,-0.5 2,-0.6 -0.942 11.3-152.9-117.3 133.7 40.7 26.0 -48.9 52 52 A F E +a 23 0A 2 -2,-0.4 330,-1.7 328,-0.2 2,-0.3 -0.933 28.9 153.3-108.4 116.9 40.3 22.3 -49.4 53 53 A K E -a 24 0A 1 -30,-2.5 -28,-2.5 -2,-0.6 2,-0.4 -0.836 27.1-139.8-131.2 169.0 42.4 20.8 -52.3 54 54 A E E -aC 25 368A 1 314,-2.3 314,-2.6 -2,-0.3 2,-0.2 -0.982 19.6-177.8-139.9 152.0 43.8 17.4 -53.0 55 55 A D > + 0 0 41 -30,-3.1 3,-1.1 -2,-0.4 312,-0.1 -0.751 7.0 178.2-143.9 87.3 47.0 15.8 -54.3 56 56 A N T 3 + 0 0 9 1,-0.2 -30,-0.1 -2,-0.2 311,-0.0 0.145 69.9 79.8 -81.6 20.5 46.4 12.0 -54.3 57 57 A T T 3 + 0 0 116 2,-0.0 -1,-0.2 0, 0.0 -31,-0.1 0.601 64.2 106.4-100.8 -18.8 49.8 11.7 -55.9 58 58 A L S < S- 0 0 41 -3,-1.1 2,-2.4 1,-0.1 -3,-0.0 -0.389 77.9-119.2 -69.0 137.4 52.0 12.1 -52.7 59 59 A P S S+ 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.403 76.9 108.2 -77.5 68.4 53.6 9.0 -51.2 60 60 A V S S- 0 0 50 -2,-2.4 4,-0.1 1,-0.1 19,-0.0 -0.816 79.0 -65.5-133.1 173.2 51.8 9.2 -47.9 61 61 A R - 0 0 49 -2,-0.3 -35,-0.2 2,-0.1 -1,-0.1 -0.237 59.8-106.5 -60.4 147.9 49.0 7.3 -46.2 62 62 A K S S+ 0 0 85 1,-0.3 -35,-0.2 17,-0.1 -29,-0.1 -0.995 100.1 28.6-127.9 126.3 45.6 7.4 -47.8 63 63 A P S S+ 0 0 2 0, 0.0 17,-1.2 0, 0.0 2,-0.3 0.546 92.8 116.8 -87.6 153.2 43.4 8.9 -46.6 64 64 A S E -BD 26 79A 0 -38,-1.1 -38,-2.8 15,-0.3 2,-0.3 -0.958 40.0-150.0-165.1 161.6 45.3 11.7 -44.9 65 65 A F E -BD 25 78A 0 13,-2.3 13,-2.1 -2,-0.3 2,-0.4 -0.999 10.0-131.9-147.6 151.6 45.6 15.5 -45.2 66 66 A L E -BD 24 77A 6 -42,-2.7 -42,-2.4 -2,-0.3 2,-0.7 -0.796 11.1-148.5-101.0 139.6 48.1 18.2 -44.6 67 67 A I E +B 23 0A 0 9,-2.3 2,-0.2 -2,-0.4 -44,-0.2 -0.929 46.2 126.0-108.6 110.2 47.3 21.4 -42.7 68 68 A T E -B 22 0A 0 -46,-2.9 -46,-3.4 -2,-0.7 7,-0.1 -0.712 55.1 -90.6-146.7-165.6 49.4 24.2 -44.2 69 69 A N > - 0 0 42 5,-0.3 3,-1.3 -48,-0.3 -48,-0.2 -0.811 54.2 -83.6-114.7 158.5 49.5 27.7 -45.7 70 70 A P T 3 S+ 0 0 62 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.390 118.4 20.4 -63.1 137.4 49.4 28.5 -49.4 71 71 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -2,-0.0 0, 0.0 0.781 111.9 99.7 75.8 26.2 52.8 28.2 -51.1 72 72 A S < - 0 0 31 -3,-1.3 -1,-0.3 1,-0.0 -4,-0.1 -0.979 51.5-170.0-143.3 153.4 53.9 25.9 -48.3 73 73 A Q + 0 0 105 -2,-0.3 2,-0.4 -3,-0.1 -6,-0.1 0.032 59.5 110.8-128.0 22.6 54.3 22.2 -47.6 74 74 A Q + 0 0 66 -5,-0.2 -5,-0.3 -8,-0.1 76,-0.1 -0.820 44.8 72.1-103.1 138.4 55.0 22.6 -43.9 75 75 A G S S- 0 0 18 -2,-0.4 76,-0.4 74,-0.1 -7,-0.1 -0.768 75.4 -52.1 146.3 168.7 52.6 21.4 -41.2 76 76 A P - 0 0 0 0, 0.0 -9,-2.3 0, 0.0 2,-0.4 -0.364 44.6-150.9 -71.8 151.3 51.0 18.6 -39.3 77 77 A R E -De 66 152A 28 74,-2.5 76,-3.1 -11,-0.2 2,-0.5 -0.971 3.9-155.3-125.8 139.3 49.2 15.8 -41.1 78 78 A F E -De 65 153A 0 -13,-2.1 -13,-2.3 -2,-0.4 2,-0.6 -0.970 7.1-162.1-113.4 129.3 46.3 13.7 -39.9 79 79 A A E -De 64 154A 0 74,-3.1 76,-3.2 -2,-0.5 -15,-0.3 -0.957 64.6 -4.1-113.7 119.0 45.9 10.2 -41.4 80 80 A G S S- 0 0 0 -17,-1.2 -15,-0.1 -2,-0.6 76,-0.1 -0.597 120.1 -7.6 97.3-162.1 42.5 8.8 -40.9 81 81 A S - 0 0 12 -2,-0.2 76,-0.1 1,-0.1 -2,-0.1 -0.560 48.3-165.8 -78.3 129.1 39.7 10.4 -38.9 82 82 A P + 0 0 0 0, 0.0 8,-0.4 0, 0.0 -1,-0.1 0.205 62.7 90.5 -92.9 13.2 40.6 13.6 -36.9 83 83 A L > + 0 0 18 3,-0.1 3,-2.0 4,-0.1 6,-0.1 0.178 52.9 60.6 -91.1-149.7 37.4 13.5 -34.9 84 84 A G G > S- 0 0 36 1,-0.3 3,-1.8 2,-0.2 4,-0.2 -0.397 127.8 -17.5 63.0-146.3 36.5 11.9 -31.6 85 85 A H G 3 S+ 0 0 84 42,-2.5 3,-0.4 1,-0.3 4,-0.3 0.521 136.0 68.4 -69.8 -3.7 38.7 13.3 -28.8 86 86 A E G <> + 0 0 0 -3,-2.0 4,-2.2 41,-0.2 -1,-0.3 0.440 69.7 94.5 -93.6 -0.2 41.1 14.6 -31.5 87 87 A F H <> S+ 0 0 10 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.886 86.1 50.0 -56.8 -37.7 38.6 17.2 -32.7 88 88 A T H > S+ 0 0 68 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.884 107.2 53.6 -67.6 -38.9 40.2 19.7 -30.4 89 89 A S H > S+ 0 0 0 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.863 110.5 48.2 -64.0 -34.5 43.7 18.8 -31.8 90 90 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -8,-0.4 5,-0.2 0.957 110.5 50.4 -69.7 -50.5 42.3 19.5 -35.2 91 91 A V H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.938 112.4 46.6 -51.4 -52.3 40.8 22.8 -34.2 92 92 A L H X S+ 0 0 39 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.898 109.3 54.6 -60.6 -39.0 44.1 23.9 -32.6 93 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.896 110.4 46.1 -61.4 -41.1 46.1 22.8 -35.6 94 94 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.900 114.1 49.5 -68.1 -40.2 44.0 24.9 -37.9 95 95 A L H <>S+ 0 0 5 -4,-2.3 5,-2.4 -5,-0.2 -77,-0.2 0.959 112.7 44.7 -62.7 -54.9 44.2 27.9 -35.5 96 96 A W H ><5S+ 0 0 34 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.931 114.1 49.4 -55.8 -50.3 48.0 27.8 -35.1 97 97 A T H 3<5S+ 0 0 7 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.800 109.1 56.9 -61.0 -27.8 48.5 27.3 -38.8 98 98 A G T 3<5S- 0 0 0 -4,-1.2 -80,-3.4 -3,-0.2 -79,-1.5 0.197 127.7 -91.7 -91.4 17.2 46.1 30.2 -39.3 99 99 A G T < 5S+ 0 0 32 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.368 80.4 135.8 95.8 -7.6 48.0 32.8 -37.2 100 100 A H < - 0 0 64 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.672 57.2-118.5 -78.9 126.4 46.4 32.2 -33.8 101 101 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.308 20.9-113.0 -68.0 143.3 49.2 32.1 -31.2 102 102 A S - 0 0 20 1,-0.1 7,-0.0 -6,-0.1 -10,-0.0 -0.345 20.0-126.7 -67.8 153.6 49.8 29.1 -29.0 103 103 A K S S+ 0 0 208 -2,-0.0 -1,-0.1 2,-0.0 3,-0.1 0.473 76.1 111.7 -82.9 0.8 49.1 29.6 -25.3 104 104 A E S S- 0 0 89 1,-0.1 -2,-0.0 2,-0.1 5,-0.0 -0.305 79.7 -87.6 -76.2 158.4 52.6 28.4 -24.5 105 105 A A >> - 0 0 61 1,-0.1 4,-1.9 4,-0.0 3,-0.6 -0.321 34.1-122.3 -64.5 147.0 55.4 30.6 -23.0 106 106 A Q H 3> S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.823 108.1 54.6 -59.9 -40.2 57.5 32.4 -25.5 107 107 A S H 3> S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.788 108.4 50.1 -68.6 -26.6 60.9 31.0 -24.4 108 108 A L H <> S+ 0 0 17 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.919 108.9 51.8 -75.4 -42.8 59.6 27.4 -24.9 109 109 A L H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.947 112.1 47.8 -55.3 -47.9 58.3 28.4 -28.4 110 110 A E H X S+ 0 0 98 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.913 107.6 53.0 -60.7 -45.2 61.8 29.7 -29.1 111 111 A Q H X S+ 0 0 73 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.905 111.2 49.3 -57.4 -38.7 63.6 26.6 -27.8 112 112 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.949 109.7 49.8 -66.5 -45.6 61.3 24.6 -30.1 113 113 A R H 3< S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 111.8 50.7 -59.9 -34.6 62.2 26.9 -33.1 114 114 A D H 3< S+ 0 0 114 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.464 76.1 125.1 -85.6 -1.0 65.9 26.5 -32.2 115 115 A I << - 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