==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-JAN-12 4AF2 . COMPND 2 MOLECULE: THIOL PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.S.H.BECKHAM,A.J.ROE,O.BYRON,M.GABRIELSEN . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 17.7 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0.6 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 . 16 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 4 0 1 0 3 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 1 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 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 -6 A Q 0 0 229 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.0 8.7 -31.4 21.6 2 -5 A G + 0 0 77 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.313 360.0 140.3 -93.3 47.1 5.5 -29.4 20.9 3 -4 A I - 0 0 142 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.428 51.6-113.4 -88.6 164.8 6.9 -27.4 18.0 4 -3 A D - 0 0 109 -2,-0.1 2,-0.1 1,-0.0 3,-0.1 -0.731 32.5-105.1 -97.7 144.2 5.2 -26.4 14.7 5 -2 A P - 0 0 116 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.484 49.1 -92.3 -70.8 140.4 6.3 -27.8 11.2 6 -1 A F - 0 0 186 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.286 46.3-175.2 -55.1 127.4 8.2 -25.2 9.1 7 0 A T - 0 0 79 1,-0.1 3,-0.1 -3,-0.1 -3,-0.0 -0.931 24.5-176.1-125.0 147.2 6.1 -23.0 6.7 8 1 A M S S- 0 0 167 1,-0.5 15,-0.5 -2,-0.3 2,-0.3 0.555 82.7 -5.6-109.9 -23.4 7.3 -20.5 4.1 9 2 A S S S- 0 0 51 13,-0.2 -1,-0.5 2,-0.0 2,-0.3 -0.931 73.1-115.3-162.5 163.5 3.7 -19.5 3.2 10 3 A Q E -A 21 0A 25 11,-3.0 11,-2.4 -2,-0.3 2,-0.4 -0.712 19.9-145.4-106.5 157.5 0.1 -20.6 4.1 11 4 A T E +A 20 0A 74 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.978 22.8 164.7-129.8 117.2 -2.4 -22.1 1.7 12 5 A V E -A 19 0A 2 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.476 30.8-118.4-109.7-174.3 -6.2 -21.4 1.9 13 6 A H E -Ab 18 159A 50 145,-1.4 147,-3.1 144,-0.3 2,-0.6 -0.992 10.1-156.4-136.4 141.6 -8.8 -22.2 -0.9 14 7 A F E > S-A 17 0A 67 3,-2.7 3,-1.6 -2,-0.4 145,-0.1 -0.947 91.8 -25.3-116.2 102.8 -11.2 -20.1 -2.9 15 8 A Q T 3 S- 0 0 142 -2,-0.6 -1,-0.1 1,-0.3 144,-0.0 0.876 128.9 -50.2 57.6 40.2 -14.0 -22.4 -4.1 16 9 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 0, 0.0 143,-0.0 0.082 114.2 118.1 89.1 -21.7 -11.5 -25.3 -3.8 17 10 A N E < S-A 14 0A 116 -3,-1.6 -3,-2.7 1,-0.1 -1,-0.2 -0.649 72.5-104.7 -81.4 129.9 -8.7 -23.6 -5.8 18 11 A P E -A 13 0A 89 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.243 34.6-169.6 -62.6 141.0 -5.5 -23.0 -3.8 19 12 A V E -A 12 0A 12 -7,-2.7 -7,-2.6 113,-0.0 2,-0.4 -0.999 18.4-132.8-131.6 126.5 -4.6 -19.4 -2.6 20 13 A T E -A 11 0A 45 -2,-0.4 110,-3.1 -9,-0.2 111,-0.9 -0.677 19.3-167.2 -82.6 124.9 -1.2 -18.4 -1.1 21 14 A V E -AC 10 129A 0 -11,-2.4 -11,-3.0 -2,-0.4 108,-0.2 -0.981 27.9-111.2-115.9 124.2 -1.5 -16.3 2.1 22 15 A A - 0 0 18 106,-3.1 106,-0.2 -2,-0.5 -13,-0.2 -0.158 65.6 -27.0 -59.4 147.6 1.7 -14.6 3.2 23 16 A N S S- 0 0 84 -15,-0.5 2,-0.3 104,-0.1 -2,-0.1 -0.161 95.8 -52.0 55.5-131.2 3.8 -15.6 6.3 24 17 A S - 0 0 52 99,-0.3 103,-0.1 100,-0.1 3,-0.1 -0.987 43.4-116.6-148.5 133.4 2.0 -17.2 9.3 25 18 A I - 0 0 8 101,-0.3 101,-0.2 -2,-0.3 100,-0.1 -0.396 53.3 -89.7 -62.3 139.0 -1.1 -16.3 11.4 26 19 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.298 46.8-134.0 -56.7 137.6 -0.1 -15.6 15.1 27 20 A Q > - 0 0 79 1,-0.1 3,-1.3 4,-0.1 124,-0.3 -0.683 26.2 -89.6 -94.4 151.5 -0.2 -18.8 17.2 28 21 A A T 3 S+ 0 0 64 -2,-0.3 124,-0.3 1,-0.2 -1,-0.1 -0.279 113.4 31.4 -56.0 137.1 -1.8 -19.3 20.7 29 22 A G T 3 S+ 0 0 75 122,-3.5 2,-0.3 1,-0.3 -1,-0.2 0.510 98.9 109.5 88.0 8.4 0.7 -18.5 23.5 30 23 A S S < S- 0 0 43 -3,-1.3 121,-3.1 121,-0.3 -1,-0.3 -0.785 76.8 -92.6-114.3 158.7 2.6 -15.9 21.5 31 24 A K B -D 150 0B 131 -2,-0.3 2,-0.3 119,-0.2 119,-0.2 -0.477 38.7-123.0 -69.6 133.3 2.9 -12.1 21.8 32 25 A A - 0 0 6 117,-2.4 2,-0.1 -2,-0.2 -1,-0.1 -0.636 29.0-122.9 -77.6 131.3 0.5 -10.1 19.7 33 26 A Q - 0 0 116 -2,-0.3 -1,-0.1 91,-0.1 14,-0.0 -0.466 29.2 -99.8 -74.6 148.3 2.3 -7.7 17.3 34 27 A T - 0 0 133 -2,-0.1 2,-0.3 13,-0.1 -1,-0.1 -0.280 45.4-178.2 -64.7 150.8 1.6 -3.9 17.4 35 28 A F - 0 0 12 2,-0.0 12,-1.1 89,-0.0 2,-0.4 -0.987 24.0-154.9-151.4 154.5 -0.8 -2.5 14.8 36 29 A T E +E 46 0C 45 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.989 25.4 169.9-127.4 127.3 -2.3 0.8 13.7 37 30 A L E -E 45 0C 0 8,-2.2 8,-3.5 -2,-0.4 2,-0.5 -0.873 34.4-104.2-134.5 167.2 -5.6 0.7 11.8 38 31 A V E -EF 44 114C 0 76,-2.2 76,-2.3 -2,-0.3 6,-0.2 -0.885 31.6-154.2-105.4 122.9 -8.2 3.3 10.7 39 32 A A > - 0 0 11 4,-2.5 3,-1.7 -2,-0.5 74,-0.1 -0.110 38.6 -85.6 -81.0-179.0 -11.5 3.8 12.6 40 33 A K T 3 S+ 0 0 158 72,-0.3 59,-0.1 1,-0.3 73,-0.1 0.778 128.7 52.2 -59.1 -33.7 -15.0 5.2 11.5 41 34 A D T 3 S- 0 0 115 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.185 120.6-108.5 -88.1 12.1 -13.9 8.8 12.2 42 35 A L S < S+ 0 0 72 -3,-1.7 2,-0.2 1,-0.2 -2,-0.1 0.635 76.1 138.0 66.8 17.6 -10.7 8.3 10.0 43 36 A S - 0 0 44 1,-0.0 -4,-2.5 0, 0.0 2,-0.5 -0.531 60.0-103.7 -89.4 159.1 -8.6 8.3 13.3 44 37 A D E -E 38 0C 88 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.757 34.3-163.7 -89.0 125.0 -5.6 6.0 13.9 45 38 A V E -E 37 0C 14 -8,-3.5 -8,-2.2 -2,-0.5 2,-0.2 -0.945 2.3-163.5-115.8 126.2 -6.3 3.1 16.4 46 39 A T E > -E 36 0C 49 -2,-0.5 3,-0.9 -10,-0.2 -10,-0.2 -0.590 32.7-117.2-101.1 164.8 -3.5 1.0 18.1 47 40 A L G > S+ 0 0 8 -12,-1.1 3,-1.7 1,-0.2 -1,-0.1 0.881 114.2 65.1 -64.5 -38.1 -3.7 -2.4 19.9 48 41 A G G > S+ 0 0 50 1,-0.3 3,-1.0 -13,-0.2 -1,-0.2 0.599 84.4 73.9 -59.6 -17.8 -2.5 -0.5 23.0 49 42 A Q G < S+ 0 0 111 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.393 94.6 52.6 -78.4 1.0 -5.8 1.4 23.0 50 43 A F G X S+ 0 0 26 -3,-1.7 3,-1.8 3,-0.1 -1,-0.2 0.099 77.9 154.7-123.1 21.5 -7.6 -1.8 24.2 51 44 A A T < + 0 0 75 -3,-1.0 97,-0.1 1,-0.3 3,-0.1 -0.201 66.7 21.4 -55.5 133.2 -5.4 -2.5 27.3 52 45 A G T 3 S+ 0 0 46 95,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.216 109.4 94.7 90.2 -11.9 -7.0 -4.5 30.1 53 46 A K S < S- 0 0 82 -3,-1.8 -1,-0.3 94,-0.2 32,-0.2 -0.775 77.0-117.7-109.8 153.9 -9.6 -5.9 27.6 54 47 A R E -g 85 0C 36 30,-2.7 32,-2.9 -2,-0.3 2,-0.4 -0.601 31.7-141.5 -87.3 148.8 -9.7 -9.1 25.6 55 48 A K E -gH 86 145C 0 90,-2.7 90,-2.9 30,-0.2 2,-0.6 -0.972 15.9-166.5-126.5 129.2 -9.7 -8.7 21.8 56 49 A V E -gH 87 144C 0 30,-2.8 32,-3.2 -2,-0.4 2,-0.7 -0.937 12.4-161.0-107.0 115.8 -11.5 -10.7 19.0 57 50 A L E -gH 88 143C 0 86,-3.0 86,-1.8 -2,-0.6 2,-0.9 -0.895 4.1-169.1-102.9 110.1 -10.1 -9.9 15.6 58 51 A N E -gH 89 142C 0 30,-3.0 32,-2.1 -2,-0.7 2,-0.4 -0.854 13.0-173.4-101.2 93.6 -12.6 -10.8 12.9 59 52 A I E +gH 90 141C 0 82,-2.4 82,-2.5 -2,-0.9 32,-0.2 -0.749 12.2 158.0 -92.3 130.7 -10.5 -10.5 9.7 60 53 A F - 0 0 0 30,-1.9 78,-0.4 -2,-0.4 32,-0.4 -0.973 48.0-113.3-150.2 161.3 -12.3 -10.9 6.3 61 54 A P S S- 0 0 10 0, 0.0 31,-0.5 0, 0.0 77,-0.3 0.888 92.7 -9.3 -68.0 -43.3 -11.8 -10.0 2.5 62 55 A S > - 0 0 22 29,-0.1 3,-1.4 3,-0.1 6,-0.3 -0.874 41.6-147.9-159.8 131.8 -14.7 -7.5 2.1 63 56 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.1 -2,-0.3 9,-0.1 0.716 102.6 69.3 -66.7 -18.3 -17.7 -6.5 4.2 64 57 A D T 3 S+ 0 0 91 4,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.191 88.6 81.2 -85.7 13.6 -19.4 -6.0 0.7 65 58 A T S <> S- 0 0 67 -3,-1.4 4,-2.2 1,-0.1 5,-0.1 -0.946 85.9-119.3-123.1 143.9 -19.4 -9.8 0.2 66 59 A G H > S+ 0 0 58 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.819 104.8 44.5 -47.7 -60.1 -22.0 -12.3 1.7 67 60 A V H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 117.1 47.2 -58.4 -46.3 -20.0 -14.7 4.0 68 61 A S H > S+ 0 0 0 -6,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.896 109.7 54.9 -62.2 -40.0 -18.0 -11.7 5.5 69 62 A A H X S+ 0 0 5 -4,-2.2 4,-1.6 -7,-0.3 -2,-0.2 0.854 107.8 49.7 -61.1 -38.9 -21.3 -9.8 6.0 70 63 A A H X S+ 0 0 27 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.900 107.1 54.2 -67.6 -42.0 -22.7 -12.8 8.0 71 64 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.863 108.2 49.5 -60.5 -36.5 -19.6 -13.0 10.2 72 65 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.897 111.9 48.3 -69.7 -41.0 -20.0 -9.3 11.2 73 66 A R H X S+ 0 0 103 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.867 114.6 46.7 -66.4 -40.5 -23.8 -9.9 12.0 74 67 A K H X S+ 0 0 80 -4,-2.5 4,-2.4 2,-0.2 3,-0.4 0.948 112.5 47.8 -67.0 -51.2 -22.9 -13.0 14.1 75 68 A F H X S+ 0 0 2 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.808 105.8 59.5 -61.8 -32.7 -20.0 -11.3 16.0 76 69 A N H < S+ 0 0 14 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.894 111.6 40.8 -61.8 -39.8 -22.2 -8.2 16.7 77 70 A Q H >< S+ 0 0 86 -4,-1.2 3,-1.4 -3,-0.4 4,-0.5 0.921 112.3 53.6 -74.3 -44.0 -24.7 -10.6 18.5 78 71 A L H >< S+ 0 0 17 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.682 95.1 71.2 -64.2 -21.5 -22.0 -12.7 20.3 79 72 A A G >< S+ 0 0 25 -4,-1.3 3,-0.8 1,-0.2 -1,-0.3 0.771 90.7 60.2 -65.4 -28.5 -20.4 -9.5 21.7 80 73 A T G < S+ 0 0 95 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.798 106.0 46.4 -68.8 -33.1 -23.4 -9.1 24.1 81 74 A E G < S+ 0 0 123 -3,-0.5 2,-0.3 -4,-0.5 -1,-0.2 0.262 96.8 89.8 -96.9 11.0 -22.7 -12.5 25.8 82 75 A I S < S- 0 0 31 -3,-0.8 3,-0.4 -4,-0.2 2,-0.3 -0.873 70.9-125.5-113.8 142.2 -18.9 -12.1 26.3 83 76 A D S S- 0 0 128 -2,-0.3 -29,-0.2 1,-0.2 -2,-0.1 -0.680 78.1 -17.8 -88.1 137.3 -17.1 -10.6 29.4 84 77 A N S S+ 0 0 73 -2,-0.3 -30,-2.7 1,-0.1 2,-0.3 0.827 98.9 134.4 37.1 55.8 -14.5 -7.7 29.1 85 78 A T E -g 54 0C 20 -3,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.999 46.8-151.0-137.1 139.1 -14.0 -8.1 25.4 86 79 A V E -g 55 0C 16 -32,-2.9 -30,-2.8 -2,-0.3 2,-0.6 -0.900 14.3-148.3-105.4 132.0 -13.7 -5.8 22.3 87 80 A V E -g 56 0C 4 -2,-0.4 24,-2.7 22,-0.3 2,-0.6 -0.933 13.9-166.4-104.9 113.0 -14.8 -7.3 18.8 88 81 A L E -gi 57 111C 0 -32,-3.2 -30,-3.0 -2,-0.6 2,-0.7 -0.913 9.8-155.0-106.1 115.8 -12.8 -5.7 16.0 89 82 A C E -gi 58 112C 0 22,-1.9 24,-2.4 -2,-0.6 2,-0.4 -0.841 22.7-170.2 -92.6 108.6 -14.0 -6.2 12.3 90 83 A I E +gi 59 113C 0 -32,-2.1 -30,-1.9 -2,-0.7 2,-0.3 -0.910 18.9 131.4-111.2 130.1 -10.9 -5.9 10.2 91 84 A S E - i 0 114C 0 22,-1.4 24,-1.7 -2,-0.4 25,-0.3 -0.970 63.1-102.9-160.2 171.8 -10.6 -5.7 6.3 92 85 A A S S+ 0 0 30 -31,-0.5 22,-0.1 -32,-0.4 -30,-0.1 0.381 81.1 117.8 -83.4 2.5 -9.2 -3.8 3.3 93 86 A D S S- 0 0 17 20,-0.2 23,-0.4 1,-0.1 -2,-0.2 -0.420 77.6-104.5 -64.3 149.4 -12.6 -2.0 2.8 94 87 A L >> - 0 0 86 1,-0.1 4,-1.7 20,-0.1 3,-1.2 -0.410 32.0-107.6 -71.4 152.0 -12.4 1.7 3.2 95 88 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.806 119.8 60.2 -48.0 -31.3 -13.9 3.0 6.5 96 89 A F H 3> S+ 0 0 136 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.838 105.0 46.1 -66.5 -38.4 -16.8 4.4 4.5 97 90 A A H <> S+ 0 0 17 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.896 113.6 49.2 -69.6 -43.1 -17.8 1.0 3.1 98 91 A Q H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.889 114.1 44.9 -63.5 -45.4 -17.5 -0.6 6.7 99 92 A S H X S+ 0 0 43 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.778 108.8 57.2 -67.1 -35.8 -19.6 2.2 8.3 100 93 A R H X S+ 0 0 120 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.909 111.0 43.1 -63.6 -42.9 -22.3 2.0 5.5 101 94 A F H X S+ 0 0 15 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.922 117.2 45.1 -66.0 -52.3 -22.8 -1.7 6.2 102 95 A C H X>S+ 0 0 14 -4,-2.0 5,-2.1 2,-0.2 4,-1.0 0.867 115.9 48.2 -60.6 -41.5 -22.9 -1.4 10.0 103 96 A G H ><5S+ 0 0 54 -4,-2.5 3,-0.9 2,-0.2 -2,-0.2 0.972 114.0 44.4 -62.4 -55.8 -25.1 1.7 9.8 104 97 A A H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.766 119.6 43.6 -60.9 -28.8 -27.6 0.1 7.4 105 98 A E H 3<5S- 0 0 81 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.533 105.1-126.9 -94.1 -11.4 -27.6 -3.2 9.5 106 99 A G T <<5 + 0 0 46 -4,-1.0 2,-0.9 -3,-0.9 -3,-0.2 0.807 51.9 157.0 66.4 35.5 -27.8 -1.4 12.9 107 100 A L < + 0 0 22 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.804 2.9 155.6 -97.3 98.1 -24.8 -3.3 14.2 108 101 A N + 0 0 136 -2,-0.9 -1,-0.2 -3,-0.1 -5,-0.0 0.527 55.1 70.7-104.6 -6.7 -23.3 -1.2 17.0 109 102 A N S S+ 0 0 80 2,-0.0 -22,-0.3 -23,-0.0 -1,-0.1 0.935 85.5 73.0 -77.1 -47.2 -21.4 -3.7 19.2 110 103 A V S S- 0 0 13 -38,-0.2 2,-0.5 -24,-0.1 -22,-0.2 -0.170 74.8-133.9 -66.1 158.9 -18.4 -4.4 16.8 111 104 A I E - 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