==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DISULFIDE OXIDOREDUCTASE 24-MAY-93 1DSB . COMPND 2 MOLECULE: DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.L.MARTIN,J.C.A.BARDWELL,J.KURIYAN . 376 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.4 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 0.5 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 . 1 0.3 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 . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.7 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 0 0 0 5 1 2 0 0 2 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 121 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.8 1.6 13.3 12.1 2 2 A Q + 0 0 177 1,-0.4 2,-0.5 0, 0.0 0, 0.0 0.726 360.0 34.2 -89.2 -30.5 1.2 11.6 15.5 3 3 A Y S S- 0 0 78 4,-0.1 2,-0.4 5,-0.0 -1,-0.4 -0.993 85.0-170.4-122.0 126.6 2.8 14.7 17.2 4 4 A E >>> - 0 0 106 -2,-0.5 3,-2.5 -3,-0.2 4,-1.0 -0.957 29.9-112.2-128.8 142.6 2.1 18.0 15.5 5 5 A D B 345S+a 9 0A 98 -2,-0.4 5,-0.2 1,-0.3 154,-0.0 -0.493 113.3 25.0 -62.6 126.4 3.4 21.6 15.7 6 6 A G T 345S+ 0 0 50 3,-3.3 -1,-0.3 -2,-0.2 4,-0.2 0.263 118.6 70.4 96.4 -10.3 0.4 23.5 17.1 7 7 A K T <45S- 0 0 78 -3,-2.5 158,-0.5 2,-0.5 -2,-0.2 0.816 118.6 -5.5-102.0 -82.9 -0.9 20.3 18.7 8 8 A Q T <5S+ 0 0 18 -4,-1.0 154,-2.6 1,-0.1 2,-0.3 0.572 137.2 9.8 -94.6 -4.5 1.0 19.0 21.7 9 9 A Y E < -aB 5 161A 14 -5,-1.0 -3,-3.3 152,-0.3 -2,-0.5 -0.965 66.2-135.7-160.4 167.2 3.8 21.5 21.3 10 10 A T E - B 0 160A 48 150,-2.1 150,-2.5 -2,-0.3 2,-0.5 -0.919 19.6-126.1-130.7 154.4 4.7 24.7 19.4 11 11 A T E - B 0 159A 58 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.888 31.0-113.9-105.3 129.1 7.9 25.7 17.7 12 12 A L - 0 0 17 146,-3.2 133,-0.0 -2,-0.5 -1,-0.0 -0.411 9.7-143.0 -62.4 134.7 9.5 29.0 18.7 13 13 A E S S+ 0 0 177 1,-0.3 -1,-0.2 -2,-0.1 145,-0.0 0.776 101.6 37.1 -68.7 -21.0 9.5 31.6 16.0 14 14 A K S S- 0 0 67 131,-0.1 -1,-0.3 144,-0.1 -2,-0.0 -0.859 89.2-147.6-133.7 91.8 12.9 32.5 17.4 15 15 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 143,-0.2 -0.189 16.3-124.9 -56.1 156.7 14.9 29.5 18.6 16 16 A V > - 0 0 24 141,-2.0 3,-1.3 140,-0.2 2,-0.1 -0.919 16.5-138.4-113.9 111.9 17.2 30.1 21.6 17 17 A A T 3 S+ 0 0 102 -2,-0.6 140,-0.1 1,-0.2 139,-0.0 -0.415 84.7 6.5 -68.4 134.4 20.9 29.2 21.3 18 18 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.1 139,-0.1 0.601 87.7 154.9 71.8 12.3 22.5 27.5 24.2 19 19 A A < - 0 0 26 -3,-1.3 -1,-0.2 1,-0.1 139,-0.1 -0.433 54.1 -90.1 -71.9 146.2 19.2 27.1 26.1 20 20 A P - 0 0 45 0, 0.0 137,-0.8 0, 0.0 3,-0.3 -0.109 36.6-115.4 -51.8 154.3 19.0 24.2 28.7 21 21 A Q S S+ 0 0 76 1,-0.3 135,-2.9 34,-0.2 2,-0.5 0.962 104.0 15.4 -58.8 -55.7 17.7 20.9 27.2 22 22 A V E S-cD 56 155A 0 33,-1.5 35,-2.8 133,-0.2 2,-0.5 -0.982 79.1-178.6-124.8 113.0 14.5 20.8 29.3 23 23 A L E -cD 57 154A 6 131,-2.7 131,-2.7 -2,-0.5 2,-0.4 -0.972 3.5-172.1-119.3 121.7 13.7 24.2 30.9 24 24 A E E -cD 58 153A 8 33,-3.2 35,-3.1 -2,-0.5 2,-0.4 -0.886 3.9-163.3-112.9 141.0 10.6 24.6 33.2 25 25 A F E +cD 59 152A 0 127,-2.4 127,-1.8 -2,-0.4 2,-0.3 -0.978 20.5 152.2-120.8 141.9 9.3 27.9 34.6 26 26 A F E -c 60 0A 5 33,-2.2 35,-1.3 -2,-0.4 2,-0.3 -0.900 29.5-141.3-152.6 179.4 6.9 28.2 37.5 27 27 A S > - 0 0 0 -2,-0.3 3,-1.3 33,-0.2 6,-0.2 -0.982 21.8-132.6-147.4 142.6 5.8 30.4 40.3 28 28 A F T 3 S+ 0 0 0 -2,-0.3 69,-0.1 1,-0.3 37,-0.1 0.614 111.6 56.5 -69.9 -8.8 4.7 29.5 43.8 29 29 A F T 3 S+ 0 0 61 35,-0.1 -1,-0.3 67,-0.1 36,-0.1 0.555 85.0 100.4 -95.4 -11.7 1.8 31.9 43.2 30 30 A a <> - 0 0 3 -3,-1.3 4,-1.1 1,-0.1 3,-0.2 -0.678 60.1-157.0 -84.2 117.6 0.7 29.9 40.1 31 31 A P H > S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.870 93.4 48.4 -60.5 -48.1 -2.3 27.5 40.8 32 32 A H H > S+ 0 0 124 1,-0.2 4,-3.4 2,-0.2 5,-0.1 0.774 108.5 58.6 -66.4 -21.5 -1.7 25.1 37.9 33 33 A a H > S+ 0 0 3 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.820 104.1 49.3 -72.4 -34.9 1.9 25.0 39.0 34 34 A Y H X>S+ 0 0 7 -4,-1.1 4,-3.0 -3,-0.3 5,-0.6 0.927 115.5 44.6 -67.7 -46.2 0.8 23.8 42.4 35 35 A Q H X>S+ 0 0 16 -4,-2.1 5,-2.8 1,-0.2 4,-1.6 0.966 112.3 51.5 -60.0 -54.3 -1.3 21.1 40.6 36 36 A F H <5S+ 0 0 24 -4,-3.4 6,-2.6 3,-0.2 5,-0.3 0.861 122.3 32.4 -50.6 -40.9 1.6 20.3 38.2 37 37 A E H <5S+ 0 0 24 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.931 126.0 29.9 -85.7 -56.6 3.9 19.8 41.2 38 38 A E H <5S+ 0 0 24 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.740 133.2 22.8 -83.3 -24.4 2.1 18.5 44.2 39 39 A V T < + 0 0 49 -6,-0.5 4,-2.2 -5,-0.3 5,-0.2 0.875 27.7 169.5 50.6 45.5 4.3 15.5 39.8 42 42 A I H > + 0 0 1 -6,-2.6 4,-3.1 1,-0.2 5,-0.3 0.919 68.3 51.3 -50.5 -51.9 5.1 16.5 36.2 43 43 A S H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.902 111.2 47.2 -56.5 -47.5 8.8 17.2 36.7 44 44 A D H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 114.8 46.3 -60.7 -43.6 9.5 13.8 38.3 45 45 A N H X S+ 0 0 29 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.924 113.5 47.7 -68.7 -39.8 7.6 12.0 35.7 46 46 A V H >X S+ 0 0 2 -4,-3.1 3,-1.3 -5,-0.2 4,-0.6 0.933 111.2 52.4 -64.8 -41.9 9.3 13.9 32.9 47 47 A K H >< S+ 0 0 102 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 0.907 102.6 59.2 -59.6 -42.6 12.6 13.3 34.5 48 48 A K H 3< S+ 0 0 160 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.648 109.4 44.4 -62.9 -15.5 11.9 9.5 34.7 49 49 A K H << S+ 0 0 66 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.480 86.7 108.0-110.5 -2.5 11.5 9.4 30.9 50 50 A L S << S- 0 0 25 -3,-1.2 3,-0.1 -4,-0.6 133,-0.1 -0.413 71.5-110.1 -77.5 152.2 14.5 11.5 29.6 51 51 A P > - 0 0 48 0, 0.0 3,-0.9 0, 0.0 2,-0.2 -0.021 51.1 -78.4 -65.9 180.0 17.5 10.0 27.9 52 52 A E T 3 S+ 0 0 187 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.588 116.2 23.7 -85.5 148.3 20.8 10.0 29.8 53 53 A G T 3 S+ 0 0 55 1,-0.3 2,-0.7 -2,-0.2 -1,-0.2 0.598 87.9 124.2 78.3 5.5 22.8 13.2 29.9 54 54 A V < - 0 0 29 -3,-0.9 2,-0.3 -7,-0.1 -1,-0.3 -0.937 49.1-158.9-100.3 113.6 19.6 15.2 29.3 55 55 A K - 0 0 130 -2,-0.7 -33,-1.5 -3,-0.1 2,-0.4 -0.745 7.4-143.1 -99.4 146.2 19.4 17.7 32.2 56 56 A M E -c 22 0A 30 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.903 10.6-166.8-109.9 137.4 16.3 19.6 33.5 57 57 A T E -c 23 0A 20 -35,-2.8 -33,-3.2 -2,-0.4 2,-0.5 -0.965 2.4-163.2-124.5 130.7 16.4 23.1 34.9 58 58 A K E -c 24 0A 39 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.976 11.8-174.1-117.0 125.3 13.5 24.6 36.8 59 59 A Y E -c 25 0A 17 -35,-3.1 -33,-2.2 -2,-0.5 2,-0.2 -0.957 18.6-133.3-122.1 146.9 13.3 28.4 37.2 60 60 A H E -c 26 0A 2 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.571 23.4-138.2 -89.7 154.0 11.1 30.8 39.2 61 61 A V - 0 0 4 -35,-1.3 3,-0.3 -2,-0.2 -33,-0.2 -0.826 9.4-145.3-115.2 159.1 9.5 33.9 37.5 62 62 A N S S+ 0 0 41 -2,-0.3 2,-0.3 1,-0.2 4,-0.2 0.781 77.9 87.3 -91.7 -27.9 8.9 37.5 38.8 63 63 A F S S+ 0 0 95 6,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.290 80.3 59.6 -65.7 12.6 5.6 38.3 37.1 64 64 A M S S+ 0 0 61 -2,-0.3 -36,-0.1 -3,-0.3 -35,-0.1 -0.995 102.0 19.9-138.4 142.9 3.2 37.0 39.7 65 65 A G S >> S- 0 0 39 -2,-0.4 4,-1.2 4,-0.1 3,-0.9 0.552 87.2-134.7 81.4 5.9 2.8 38.1 43.4 66 66 A G H 3> S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 -0.164 81.4 7.8 51.4-117.8 4.6 41.4 43.0 67 67 A D H 3> S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.949 136.4 46.2 -60.3 -55.7 7.1 42.1 45.7 68 68 A L H <> S+ 0 0 25 -3,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.874 106.2 64.3 -54.9 -38.0 6.8 38.6 47.3 69 69 A G H X S+ 0 0 0 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.894 105.8 41.6 -52.9 -47.6 7.1 37.2 43.7 70 70 A K H X S+ 0 0 113 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.842 111.3 56.3 -69.7 -38.0 10.6 38.6 43.4 71 71 A D H X S+ 0 0 39 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.892 107.7 49.7 -57.7 -41.4 11.5 37.5 46.9 72 72 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.839 106.2 55.0 -68.2 -33.4 10.6 34.0 46.0 73 73 A T H X S+ 0 0 1 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.896 111.8 44.7 -66.4 -36.6 12.7 34.1 42.8 74 74 A Q H X S+ 0 0 45 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.917 112.3 51.4 -70.5 -43.5 15.6 35.1 45.1 75 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.876 108.6 51.9 -58.0 -42.5 14.7 32.3 47.6 76 76 A W H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.919 107.2 52.3 -61.6 -43.0 14.6 29.8 44.7 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.887 109.3 50.2 -59.5 -38.4 18.1 31.0 43.7 78 78 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 110.3 50.1 -65.5 -42.1 19.1 30.3 47.4 79 79 A A H X>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 4,-1.4 0.932 112.4 47.4 -64.0 -41.4 17.6 26.8 47.1 80 80 A M H <5S+ 0 0 42 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.935 112.3 48.0 -66.2 -44.5 19.5 26.2 44.0 81 81 A A H <5S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 119.3 39.7 -65.0 -35.7 22.8 27.4 45.4 82 82 A L H <5S- 0 0 53 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.601 106.9-127.8 -86.5 -14.8 22.4 25.3 48.5 83 83 A G T <5S+ 0 0 52 -4,-1.4 -3,-0.2 -5,-0.2 3,-0.2 0.851 70.5 126.2 70.6 34.8 20.9 22.3 46.6 84 84 A V >>< + 0 0 18 -5,-2.0 3,-1.7 -6,-0.2 4,-1.5 0.144 20.0 124.1-111.2 22.7 17.9 22.1 48.9 85 85 A E H 3> S+ 0 0 59 -6,-0.5 4,-2.1 1,-0.3 3,-0.3 0.861 75.1 51.3 -47.8 -47.8 15.1 22.2 46.2 86 86 A D H 34 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.2 4,-0.3 0.683 108.4 53.7 -68.1 -18.5 13.5 19.0 47.3 87 87 A K H <4 S+ 0 0 118 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.838 119.0 28.7 -85.1 -31.8 13.4 20.2 50.9 88 88 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 5,-0.3 0.627 92.7 85.8-107.8 -13.7 11.6 23.5 50.2 89 89 A T H X S+ 0 0 11 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.950 96.3 43.3 -55.1 -52.7 9.3 23.1 47.2 90 90 A V H > S+ 0 0 57 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.940 114.7 45.8 -62.2 -51.8 6.4 21.6 49.1 91 91 A P H > S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.874 113.4 51.7 -64.7 -25.2 6.4 23.9 52.1 92 92 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.971 111.9 45.6 -71.4 -46.1 6.8 27.0 49.8 93 93 A F H X>S+ 0 0 2 -4,-2.5 4,-3.1 -5,-0.3 5,-0.5 0.899 118.9 42.5 -59.5 -42.9 3.8 25.9 47.7 94 94 A E H X>S+ 0 0 71 -4,-2.7 5,-2.5 -5,-0.2 4,-1.1 0.888 112.2 53.7 -71.2 -40.6 1.8 25.1 50.8 95 95 A G H <>S+ 0 0 5 -4,-2.8 7,-1.2 -5,-0.3 6,-1.2 0.956 119.2 35.0 -58.9 -48.0 2.9 28.3 52.6 96 96 A V H <5S+ 0 0 12 -4,-2.9 -2,-0.2 4,-0.2 -3,-0.2 0.956 134.3 20.0 -72.7 -48.0 1.8 30.4 49.6 97 97 A Q H <5S+ 0 0 28 -4,-3.1 124,-0.3 -5,-0.3 -3,-0.2 0.817 127.4 32.3 -99.2 -30.6 -1.3 28.6 48.4 98 98 A K T <> S- 0 0 45 -36,-0.0 4,-1.4 1,-0.0 3,-0.6 -0.928 84.6 -93.1-148.1 174.5 7.0 38.4 53.8 105 105 A A H 3> S+ 0 0 34 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.771 123.3 57.8 -62.6 -25.6 10.6 37.5 53.1 106 106 A S H 3> S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.856 101.9 54.6 -74.4 -31.2 11.0 36.5 56.8 107 107 A D H <> S+ 0 0 37 -3,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.882 108.1 49.1 -65.8 -38.7 8.2 34.0 56.4 108 108 A I H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 3,-0.3 0.903 109.7 51.8 -65.4 -42.7 10.1 32.5 53.4 109 109 A R H X S+ 0 0 72 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.899 103.7 58.6 -61.3 -40.9 13.2 32.4 55.6 110 110 A D H X S+ 0 0 91 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.854 101.9 54.9 -56.2 -37.7 11.2 30.5 58.4 111 111 A V H X S+ 0 0 23 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.919 109.5 46.2 -64.0 -42.6 10.4 27.7 55.9 112 112 A F H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 -2,-0.2 0.935 113.9 46.6 -66.4 -47.1 14.1 27.1 55.1 113 113 A I H ><5S+ 0 0 64 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.880 112.5 50.9 -62.1 -38.0 15.2 27.2 58.8 114 114 A N H 3<5S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.0 57.6 -67.7 -31.3 12.3 24.8 59.6 115 115 A A T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.346 131.1 -92.6 -78.6 -1.5 13.5 22.6 56.8 116 116 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.412 81.8 134.0 106.6 -5.5 16.9 22.3 58.4 117 117 A I < - 0 0 5 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.659 58.1-118.9 -81.2 132.1 18.9 25.2 56.9 118 118 A K >> - 0 0 125 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.547 15.7-126.5 -70.7 137.8 20.9 27.2 59.5 119 119 A G H 3> S+ 0 0 17 1,-0.3 4,-3.1 -2,-0.2 5,-0.3 0.907 111.2 50.3 -49.6 -48.7 19.9 30.8 59.7 120 120 A E H 3> S+ 0 0 146 1,-0.2 4,-1.9 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