==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-OCT-10 3P82 . COMPND 2 MOLECULE: PENTAERYTHRITOL TETRANITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR H.S.TOOGOOD,N.S.SCRUTTON . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 0 0 2 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 2 2 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 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 E > 0 0 139 0, 0.0 3,-1.4 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 69.4 4.9 -3.9 -2.8 2 4 A K G > + 0 0 65 1,-0.2 3,-1.6 2,-0.1 15,-0.1 0.639 360.0 83.6 -53.3 -22.1 1.7 -1.9 -2.1 3 5 A L G 3 S+ 0 0 1 1,-0.3 14,-3.2 13,-0.1 15,-0.4 0.767 92.3 45.8 -56.6 -29.1 2.5 -2.6 1.6 4 6 A F G < S+ 0 0 30 -3,-1.4 -1,-0.3 12,-0.2 -2,-0.1 -0.051 93.9 100.5-108.7 32.7 4.8 0.4 1.6 5 7 A T S < S- 0 0 43 -3,-1.6 9,-0.1 1,-0.1 -3,-0.0 -0.904 77.9 -95.5-117.9 147.0 2.5 2.9 -0.2 6 8 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.031 35.0-167.7 -57.8 163.9 0.4 5.6 1.4 7 9 A L E -A 14 0A 20 7,-2.5 7,-3.1 9,-0.2 2,-0.6 -0.952 21.6-129.7-158.4 127.7 -3.3 5.2 2.3 8 10 A K E -A 13 0A 123 -2,-0.3 2,-0.6 5,-0.3 5,-0.3 -0.769 24.3-174.5 -82.4 121.5 -5.9 7.8 3.3 9 11 A V E > -A 12 0A 0 3,-3.0 3,-2.3 -2,-0.6 256,-0.1 -0.876 55.3 -74.3-117.4 95.3 -7.5 6.6 6.5 10 12 A G T 3 S+ 0 0 17 -2,-0.6 217,-0.2 254,-0.4 -1,-0.1 -0.319 119.5 2.2 51.6-122.8 -10.3 9.0 7.2 11 13 A A T 3 S+ 0 0 24 215,-2.6 -1,-0.3 163,-0.2 2,-0.3 0.569 129.9 54.1 -76.6 -5.2 -8.8 12.3 8.5 12 14 A V E < S-A 9 0A 19 -3,-2.3 -3,-3.0 214,-0.3 2,-0.5 -0.751 71.4-128.9-127.1 174.4 -5.2 11.1 8.2 13 15 A T E -A 8 0A 76 -5,-0.3 -5,-0.3 -2,-0.3 -2,-0.0 -0.959 15.3-152.0-127.9 114.6 -2.8 9.6 5.7 14 16 A A E -A 7 0A 1 -7,-3.1 -7,-2.5 -2,-0.5 36,-0.1 -0.650 8.5-148.0 -81.1 134.7 -0.8 6.5 6.5 15 17 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.550 80.8 12.5 -84.3 -3.9 2.5 6.4 4.6 16 18 A N S S- 0 0 12 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.910 73.0-118.1-155.1 178.6 2.4 2.6 4.4 17 19 A R S S+ 0 0 31 -14,-3.2 301,-2.5 -2,-0.3 2,-1.0 0.133 77.4 109.2-111.1 12.7 -0.1 -0.3 5.0 18 20 A V E -b 318 0B 0 -15,-0.4 32,-2.8 299,-0.2 33,-0.6 -0.828 52.2-177.5 -95.1 100.7 1.8 -1.9 7.8 19 21 A F E -bc 319 51B 0 299,-3.1 301,-2.4 -2,-1.0 2,-0.8 -0.722 29.9-120.6-102.7 151.4 -0.4 -1.2 10.8 20 22 A M E -bc 320 52B 2 31,-2.8 33,-1.8 -2,-0.3 301,-0.2 -0.819 33.0-130.7 -88.9 119.6 0.2 -2.0 14.3 21 23 A A - 0 0 7 299,-2.1 2,-0.3 -2,-0.8 32,-0.1 -0.188 33.3 -90.5 -59.3 152.2 -2.6 -4.2 15.5 22 24 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 33,-0.3 -0.585 53.0-170.3 -66.6 127.5 -4.3 -3.2 18.8 23 25 A L - 0 0 25 -2,-0.3 32,-0.4 30,-0.3 2,-0.3 -0.911 20.8-144.9-136.2 102.0 -2.3 -5.2 21.3 24 26 A T + 0 0 28 -2,-0.5 45,-0.1 1,-0.2 33,-0.1 -0.523 28.5 165.1 -56.2 118.8 -3.3 -5.5 24.9 25 27 A R - 0 0 1 -2,-0.3 325,-2.9 43,-0.2 -1,-0.2 0.446 36.5-139.5-122.1 -12.0 0.1 -5.5 26.8 26 28 A L + 0 0 1 323,-0.2 43,-0.2 1,-0.1 325,-0.2 0.888 60.6 126.8 57.2 50.5 -1.3 -4.9 30.3 27 29 A R + 0 0 14 41,-0.5 42,-0.1 323,-0.2 12,-0.1 0.224 31.8 123.1-121.4 11.8 1.4 -2.5 31.3 28 30 A S - 0 0 2 40,-2.5 2,-0.3 1,-0.1 5,-0.1 -0.276 68.6 -95.8 -78.7 160.0 -0.6 0.5 32.5 29 31 A I B >> -L 34 0C 78 5,-3.1 5,-1.8 3,-0.1 4,-1.1 -0.578 41.3-128.2 -73.4 133.3 -0.4 2.0 35.9 30 32 A E T 45S+ 0 0 60 -2,-0.3 2,-0.2 3,-0.2 37,-0.0 -0.997 85.1 48.7-117.7 139.1 -2.9 0.9 38.5 31 33 A P T 45S+ 0 0 118 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 0.467 128.0 21.7 -77.1 158.3 -4.6 2.6 40.2 32 34 A G T 45S- 0 0 35 1,-0.2 39,-0.2 -2,-0.2 -2,-0.2 0.011 99.7-114.6 111.0 -26.0 -6.0 4.9 37.5 33 35 A D T <5 + 0 0 16 -4,-1.1 38,-2.1 1,-0.2 -3,-0.2 0.938 57.3 177.6 59.1 53.2 -5.4 2.6 34.5 34 36 A I B < -L 29 0C 37 -5,-1.8 -5,-3.1 -3,-0.3 -1,-0.2 -0.758 33.6-121.2-107.1 127.9 -2.9 5.1 33.3 35 37 A P - 0 0 4 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 -0.285 36.1-142.4 -54.6 147.7 -0.6 5.0 30.2 36 38 A T > - 0 0 15 1,-0.1 4,-2.5 45,-0.0 5,-0.1 -0.723 24.3-112.5-116.2 160.0 3.1 5.2 31.1 37 39 A P H > S+ 0 0 118 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.852 121.0 60.3 -58.4 -32.8 6.2 6.9 29.6 38 40 A L H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.932 106.0 44.3 -57.1 -45.5 7.3 3.3 29.0 39 41 A M H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 109.6 57.1 -65.8 -40.4 4.2 2.8 26.8 40 42 A G H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.920 109.5 45.9 -49.8 -47.2 4.9 6.1 25.2 41 43 A E H X S+ 0 0 99 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.908 110.3 51.8 -66.5 -44.2 8.4 4.8 24.3 42 44 A Y H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.907 114.7 43.2 -56.5 -44.7 7.0 1.5 23.0 43 45 A Y H >< S+ 0 0 0 -4,-2.6 3,-0.7 2,-0.2 -2,-0.2 0.904 113.3 51.7 -68.9 -43.3 4.6 3.4 20.8 44 46 A R H >< S+ 0 0 105 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.902 106.1 54.5 -57.4 -43.1 7.3 5.9 19.7 45 47 A Q H 3< S+ 0 0 54 -4,-2.9 3,-0.3 1,-0.3 -1,-0.3 0.769 113.3 44.1 -58.7 -27.4 9.6 3.0 18.8 46 48 A R T X< S+ 0 0 0 -3,-0.7 3,-2.1 -4,-0.6 -1,-0.3 0.187 78.0 115.2-103.7 13.3 6.8 1.8 16.6 47 49 A A T < + 0 0 2 -3,-1.9 47,-0.3 1,-0.3 -1,-0.2 0.611 62.6 71.4 -67.0 -12.4 6.0 5.2 15.2 48 50 A S T 3 S+ 0 0 57 -3,-0.3 -1,-0.3 280,-0.3 -30,-0.2 0.667 71.6 113.9 -72.5 -16.4 7.0 4.2 11.6 49 51 A A S < S- 0 0 0 -3,-2.1 45,-0.4 279,-0.2 3,-0.3 -0.175 81.2-121.5 -47.5 144.8 3.8 2.0 11.4 50 52 A G S S- 0 0 0 -32,-2.8 2,-0.3 1,-0.3 -31,-0.2 0.901 98.1 -1.8 -60.8 -34.8 1.4 3.3 8.8 51 53 A L E -c 19 0B 1 -33,-0.6 -31,-2.8 -37,-0.1 2,-0.6 -0.926 68.9-144.2-151.6 133.5 -0.9 3.5 11.7 52 54 A I E -cd 20 95B 0 42,-2.9 44,-4.0 -2,-0.3 2,-0.6 -0.836 12.3-164.8 -89.2 126.6 -0.6 2.6 15.3 53 55 A I E - d 0 96B 0 -33,-1.8 -30,-0.3 -2,-0.6 44,-0.2 -0.972 24.9-132.0-105.4 124.5 -3.8 1.2 16.8 54 56 A S - 0 0 0 42,-3.0 44,-0.2 -2,-0.6 3,-0.1 -0.223 28.2 -80.8 -69.6 161.1 -3.4 1.2 20.5 55 57 A E S S- 0 0 1 -32,-0.4 43,-0.4 -33,-0.3 -1,-0.2 -0.220 71.1 -74.0 -41.0 144.2 -4.1 -1.5 22.9 56 58 A A - 0 0 0 -3,-0.1 2,-0.4 41,-0.1 43,-0.2 -0.299 58.6-159.8 -51.3 135.4 -7.8 -1.7 23.7 57 59 A T E -e 99 0B 0 41,-2.6 43,-2.3 -3,-0.1 14,-0.3 -0.982 18.7-109.7-131.9 124.9 -8.5 1.2 26.0 58 60 A Q E -ef 100 71B 0 12,-2.4 14,-2.6 -2,-0.4 43,-0.2 -0.300 12.0-156.6 -59.6 134.9 -11.5 1.5 28.4 59 61 A I S S- 0 0 4 41,-1.7 2,-0.3 12,-0.2 -1,-0.1 0.639 83.3 -4.1 -79.5 -14.6 -14.3 4.0 27.5 60 62 A S S S- 0 0 13 40,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.937 81.2 -96.0-169.1 165.1 -15.2 4.1 31.2 61 63 A A S > S+ 0 0 44 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.876 123.7 58.0 -63.6 -40.7 -14.3 2.4 34.4 62 64 A Q T 3 S+ 0 0 43 1,-0.3 56,-0.3 49,-0.1 -1,-0.2 0.839 96.1 65.4 -59.8 -31.4 -17.1 -0.1 33.9 63 65 A A T 3 S+ 0 0 0 -3,-0.2 39,-2.1 38,-0.1 -1,-0.3 0.664 78.2 113.0 -60.4 -20.2 -15.6 -1.0 30.5 64 66 A K < + 0 0 19 -3,-1.8 43,-0.3 -4,-0.3 46,-0.1 -0.327 22.7 149.8 -65.3 131.3 -12.5 -2.5 32.4 65 67 A G + 0 0 0 1,-0.2 2,-0.4 41,-0.2 -1,-0.2 0.485 60.3 57.5-131.7 -11.0 -12.1 -6.3 32.1 66 68 A Y S > S- 0 0 12 63,-0.1 3,-1.4 44,-0.1 2,-0.4 -0.983 77.6-122.6-128.1 135.5 -8.3 -6.6 32.4 67 69 A A T 3 S+ 0 0 3 63,-2.5 -37,-0.1 -2,-0.4 283,-0.1 -0.592 101.2 22.8 -71.8 126.9 -5.8 -5.5 35.0 68 70 A G T 3 S+ 0 0 0 1,-0.4 -40,-2.5 -2,-0.4 -41,-0.5 0.320 87.6 129.2 95.8 -8.2 -3.2 -3.2 33.4 69 71 A A < - 0 0 1 -3,-1.4 -1,-0.4 -43,-0.2 -12,-0.1 -0.641 58.4-122.3 -73.0 137.3 -5.4 -2.2 30.4 70 72 A P - 0 0 0 0, 0.0 -12,-2.4 0, 0.0 2,-0.2 -0.399 19.7-144.5 -81.0 159.4 -5.5 1.7 30.0 71 73 A G B -f 58 0B 0 -38,-2.1 -12,-0.2 -14,-0.3 -10,-0.1 -0.716 12.9-158.1-109.8 166.6 -8.6 3.9 30.1 72 74 A L S S+ 0 0 0 -14,-2.6 95,-0.2 -2,-0.2 96,-0.1 -0.262 74.7 83.1-132.1 45.7 -9.5 7.1 28.2 73 75 A H S S+ 0 0 59 94,-0.1 -14,-0.1 -13,-0.0 -12,-0.1 0.656 74.8 68.2-117.4 -23.5 -12.1 8.4 30.6 74 76 A S S > S- 0 0 22 -42,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.615 82.6-115.5-102.9 157.3 -10.2 10.3 33.4 75 77 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.849 116.1 52.7 -58.7 -33.7 -8.2 13.6 33.2 76 78 A E H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.780 108.3 49.0 -74.0 -28.7 -5.0 11.7 34.1 77 79 A Q H > S+ 0 0 1 -3,-0.3 4,-3.3 2,-0.2 5,-0.2 0.940 112.0 49.2 -73.6 -46.2 -5.5 9.1 31.4 78 80 A I H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 112.6 47.7 -56.2 -49.2 -6.1 12.0 28.9 79 81 A A H X S+ 0 0 50 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.841 115.0 45.3 -56.6 -43.9 -2.9 13.8 30.1 80 82 A A H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 3,-0.4 0.913 113.4 49.4 -71.2 -42.4 -0.8 10.6 29.9 81 83 A W H X S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.867 103.2 62.4 -64.2 -38.6 -2.2 9.7 26.5 82 84 A K H X S+ 0 0 78 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.857 105.1 46.7 -51.6 -42.1 -1.4 13.2 25.3 83 85 A K H X S+ 0 0 130 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.882 112.2 50.1 -66.5 -36.6 2.3 12.6 25.9 84 86 A I H X S+ 0 0 3 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.908 113.4 44.4 -73.1 -43.9 2.1 9.3 24.1 85 87 A T H X S+ 0 0 4 -4,-3.2 4,-2.6 86,-0.3 -1,-0.2 0.883 112.2 53.7 -66.6 -37.0 0.4 10.7 21.1 86 88 A A H X S+ 0 0 55 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.898 108.5 50.6 -64.6 -36.9 2.8 13.7 21.1 87 89 A G H X S+ 0 0 11 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.918 110.8 46.9 -63.2 -46.6 5.7 11.2 21.1 88 90 A V H ><>S+ 0 0 0 -4,-1.9 5,-3.4 2,-0.2 3,-0.9 0.924 115.2 47.6 -59.4 -46.7 4.3 9.3 18.1 89 91 A H H ><5S+ 0 0 66 -4,-2.6 3,-2.9 3,-0.3 -2,-0.2 0.889 102.6 61.4 -62.9 -40.9 3.7 12.6 16.4 90 92 A A H 3<5S+ 0 0 64 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 108.3 46.1 -55.0 -22.7 7.2 13.8 17.2 91 93 A E T <<5S- 0 0 98 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.128 125.1-107.5-105.6 14.2 8.3 10.9 15.1 92 94 A D T < 5S+ 0 0 135 -3,-2.9 -3,-0.3 1,-0.1 -2,-0.1 0.828 74.0 144.6 63.4 33.2 5.8 11.7 12.5 93 95 A G < - 0 0 4 -5,-3.4 2,-0.3 -8,-0.1 -1,-0.1 -0.274 43.6-137.3 -88.5 179.0 3.6 8.8 13.5 94 96 A R - 0 0 25 -45,-0.4 -42,-2.9 -47,-0.3 2,-0.4 -0.988 18.2-167.8-135.3 140.6 -0.1 8.4 13.5 95 97 A I E -d 52 0B 0 -2,-0.3 79,-2.2 77,-0.2 80,-1.0 -0.980 9.9-165.8-134.4 130.5 -2.1 6.7 16.4 96 98 A A E -dg 53 175B 0 -44,-4.0 -42,-3.0 -2,-0.4 2,-0.6 -0.860 21.0-134.8-103.4 143.5 -5.6 5.5 16.7 97 99 A V E - g 0 176B 0 78,-2.0 80,-3.0 -2,-0.4 2,-0.6 -0.893 12.5-141.7 -96.4 124.4 -7.0 4.6 20.1 98 100 A Q E - g 0 177B 4 -2,-0.6 -41,-2.6 -43,-0.4 2,-0.5 -0.784 20.2-158.6 -83.2 125.0 -9.0 1.4 20.3 99 101 A L E +eg 57 178B 0 78,-2.5 80,-2.8 -2,-0.6 2,-0.3 -0.853 18.2 166.6-109.1 122.5 -11.9 1.9 22.6 100 102 A W E -e 58 0B 1 -43,-2.3 -41,-1.7 -2,-0.5 2,-0.4 -0.881 38.0-152.6-128.9 169.7 -13.7 -0.9 24.3 101 103 A H - 0 0 1 78,-0.4 84,-2.6 -2,-0.3 85,-0.4 -0.978 19.9-153.3-125.6 128.1 -16.0 -2.1 26.8 102 104 A T > - 0 0 0 -39,-2.1 3,-2.2 -2,-0.4 -39,-0.1 0.659 23.0-175.6 -77.9 -13.6 -15.1 -5.7 27.8 103 105 A G T 3 S- 0 0 0 1,-0.3 16,-0.2 81,-0.1 -1,-0.2 -0.321 70.7 -2.9 52.8-128.9 -18.7 -6.6 28.9 104 106 A R T 3 S+ 0 0 10 1,-0.2 2,-1.7 13,-0.1 21,-0.5 0.478 114.7 87.1 -76.5 -5.0 -18.7 -10.1 30.3 105 107 A I S < S+ 0 0 0 -3,-2.2 2,-0.3 78,-0.1 -1,-0.2 -0.626 82.3 81.7 -90.4 80.0 -15.0 -10.8 29.6 106 108 A S S S- 0 0 0 -2,-1.7 38,-1.8 38,-0.3 2,-0.4 -0.895 75.1-119.0-165.8 180.0 -14.2 -9.2 32.9 107 109 A H > - 0 0 40 -43,-0.3 3,-1.7 -2,-0.3 4,-0.3 -0.994 21.4-124.8-144.3 142.1 -14.1 -10.0 36.5 108 110 A S G > S+ 0 0 33 -2,-0.4 3,-2.0 1,-0.3 6,-0.2 0.850 104.4 71.6 -55.1 -32.1 -16.1 -8.4 39.3 109 111 A S G 3 S+ 0 0 71 1,-0.3 -1,-0.3 5,-0.1 4,-0.1 0.691 105.2 36.4 -63.7 -19.4 -12.8 -7.6 41.1 110 112 A I G < S+ 0 0 32 -3,-1.7 -1,-0.3 5,-0.1 -2,-0.2 0.270 98.0 101.5-116.2 12.4 -11.9 -4.9 38.7 111 113 A Q S X S- 0 0 14 -3,-2.0 3,-2.1 -4,-0.3 -49,-0.1 -0.611 90.3 -88.5 -87.2 153.1 -15.5 -3.6 38.1 112 114 A P G > S+ 0 0 67 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.446 118.5 9.0 -60.4 132.2 -16.8 -0.4 39.8 113 115 A G G 3 S- 0 0 66 1,-0.3 3,-0.1 -2,-0.1 -4,-0.1 0.484 118.6 -87.8 76.1 4.7 -18.2 -1.6 43.2 114 116 A G G < S+ 0 0 39 -3,-2.1 -1,-0.3 -6,-0.2 -5,-0.1 0.709 87.5 151.7 62.0 22.1 -16.8 -5.1 42.7 115 117 A Q < - 0 0 128 -3,-1.3 -1,-0.2 1,-0.2 -4,-0.2 -0.323 55.7 -79.4 -86.7 165.9 -20.1 -5.8 40.9 116 118 A A - 0 0 36 -3,-0.1 -1,-0.2 1,-0.1 31,-0.1 -0.304 52.5-111.0 -58.7 142.2 -20.7 -8.3 38.1 117 119 A P - 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