==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JAN-05 1YKI . COMPND 2 MOLECULE: OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.R.RACE,A.L.LOVERING,R.M.GREEN,A.OSSOR,S.A.WHITE, . 866 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 640 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.1 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 . 0 0.0 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 . 63 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.2 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 8 0 4 6 6 0 0 0 0 7 1 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 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 . 8 4 0 0 0 4 0 4 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 4 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 2 A D > 0 0 110 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-166.6 -16.2 10.4 64.2 2 3 A I H > + 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.774 360.0 57.8 -65.3 -26.5 -12.5 11.4 63.6 3 4 A I H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 103.7 52.0 -71.2 -39.5 -11.4 7.7 64.1 4 5 A S H > S+ 0 0 55 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.914 110.2 50.4 -56.2 -43.5 -13.8 6.7 61.2 5 6 A V H >X S+ 0 0 33 -4,-1.7 4,-1.9 1,-0.2 3,-0.6 0.946 110.5 47.9 -60.4 -47.1 -12.0 9.4 59.1 6 7 A A H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 115.2 45.9 -63.3 -35.7 -8.5 8.1 60.1 7 8 A L H 3< S+ 0 0 71 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.645 118.0 41.4 -82.6 -17.4 -9.6 4.6 59.2 8 9 A K H << S+ 0 0 168 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.594 91.0 96.5-109.2 -15.9 -11.3 5.4 55.9 9 10 A R < + 0 0 24 -4,-1.9 2,-0.3 -5,-0.2 150,-0.1 -0.280 49.3 177.5 -72.9 163.2 -8.9 8.0 54.3 10 11 A H - 0 0 24 150,-0.1 2,-0.8 194,-0.0 150,-0.6 -0.979 39.1 -90.1-157.0 165.1 -6.3 7.0 51.8 11 12 A S B -a 160 0A 27 -2,-0.3 150,-0.3 188,-0.1 2,-0.2 -0.766 47.5-132.7 -82.6 113.1 -3.5 8.3 49.5 12 13 A T - 0 0 0 148,-2.2 3,-0.1 -2,-0.8 185,-0.0 -0.487 21.2-172.0 -73.7 131.5 -5.3 9.1 46.2 13 14 A K S S+ 0 0 78 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.519 72.6 24.4-103.2 -10.6 -3.4 7.8 43.1 14 15 A A - 0 0 19 180,-0.1 180,-2.0 59,-0.1 2,-0.3 -0.918 68.9-151.9-157.0 133.2 -5.6 9.5 40.5 15 16 A F B -G 193 0B 6 -2,-0.3 2,-0.8 178,-0.3 178,-0.3 -0.775 22.0-121.4-106.0 148.5 -7.8 12.6 40.6 16 17 A D > - 0 0 49 176,-2.6 3,-1.6 -2,-0.3 176,-0.4 -0.800 22.7-156.0 -83.2 110.2 -10.9 13.6 38.6 17 18 A A T 3 S+ 0 0 45 -2,-0.8 -1,-0.1 1,-0.3 176,-0.0 0.587 88.2 60.4 -69.6 -12.0 -9.8 16.8 36.9 18 19 A S T 3 S+ 0 0 91 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.587 87.9 86.1 -86.0 -11.8 -13.4 18.1 36.5 19 20 A K < - 0 0 102 -3,-1.6 173,-0.4 173,-0.2 2,-0.2 -0.828 60.1-178.3-102.6 115.1 -14.0 18.0 40.3 20 21 A K - 0 0 101 -2,-0.6 2,-0.1 171,-0.1 171,-0.1 -0.686 31.4-102.0-109.8 159.3 -13.0 21.2 42.1 21 22 A L - 0 0 14 -2,-0.2 -1,-0.1 169,-0.2 171,-0.0 -0.482 41.7-114.2 -66.4 148.2 -13.0 22.3 45.7 22 23 A T > - 0 0 67 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.490 30.0-106.9 -71.6 156.0 -15.8 24.7 46.6 23 24 A P H > S+ 0 0 115 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.902 124.3 54.1 -47.9 -42.0 -14.7 28.2 47.6 24 25 A E H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.941 108.7 46.6 -60.1 -48.7 -15.6 27.3 51.2 25 26 A Q H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 109.1 55.7 -61.7 -37.5 -13.4 24.2 51.0 26 27 A A H X S+ 0 0 17 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.874 110.8 44.6 -64.2 -36.0 -10.6 26.3 49.5 27 28 A E H X S+ 0 0 89 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.889 110.3 55.7 -72.0 -40.9 -10.8 28.6 52.4 28 29 A Q H X S+ 0 0 26 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.900 104.6 51.6 -61.3 -40.3 -11.0 25.7 54.9 29 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.890 107.7 53.0 -67.4 -33.4 -7.7 24.2 53.7 30 31 A K H X S+ 0 0 17 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.908 107.4 52.2 -64.5 -39.5 -5.9 27.5 54.1 31 32 A T H X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.911 107.0 52.5 -62.2 -42.8 -7.1 27.7 57.7 32 33 A L H X S+ 0 0 1 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.924 110.1 48.4 -57.9 -44.3 -5.8 24.2 58.3 33 34 A L H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.940 115.6 44.7 -61.1 -46.4 -2.4 25.2 57.0 34 35 A Q H 3< S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.880 112.1 49.8 -64.3 -41.2 -2.4 28.4 59.1 35 36 A Y H 3< S+ 0 0 56 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.438 75.8 121.7 -93.8 2.3 -3.6 26.9 62.4 36 37 A S << - 0 0 0 -4,-0.8 109,-0.1 -3,-0.5 7,-0.1 -0.290 64.3-118.6 -53.4 142.3 -1.2 23.9 62.7 37 38 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.305 35.1-180.0 -74.9 170.8 0.8 24.0 65.9 38 39 A S > - 0 0 19 106,-0.1 3,-2.6 342,-0.1 100,-0.1 -0.952 42.0 -67.2-166.3 155.8 4.6 24.1 65.9 39 40 A S G > S- 0 0 11 1,-0.3 3,-2.4 -2,-0.3 4,-0.1 -0.324 121.0 -9.9 -52.7 123.8 7.5 24.2 68.3 40 41 A T G 3 S- 0 0 29 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.616 115.9 -79.7 56.8 18.8 7.4 27.6 70.1 41 42 A N G < S+ 0 0 18 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.815 88.9 150.9 56.2 31.2 4.7 28.7 67.7 42 43 A S < - 0 0 0 -3,-2.4 3,-0.1 2,-0.1 -2,-0.1 0.709 32.3-164.3 -67.9 -23.2 7.6 29.3 65.4 43 44 A Q - 0 0 1 1,-0.2 2,-2.1 -4,-0.1 -5,-0.1 0.854 9.9-176.7 41.9 55.6 5.5 28.6 62.3 44 45 A P + 0 0 0 0, 0.0 42,-2.3 0, 0.0 2,-0.3 -0.272 41.1 97.4 -86.3 56.3 8.7 28.2 60.1 45 46 A W E -B 85 0A 1 -2,-2.1 2,-0.3 40,-0.3 40,-0.2 -0.860 52.1-158.1-146.1 159.4 6.9 27.7 56.9 46 47 A H E -B 84 0A 27 38,-1.7 38,-2.5 -2,-0.3 2,-0.4 -0.977 16.9-153.5-141.1 143.7 5.4 29.0 53.6 47 48 A F E -Bc 83 431A 0 383,-2.9 385,-2.6 -2,-0.3 2,-0.5 -0.943 4.8-160.2-118.9 137.6 2.7 27.4 51.5 48 49 A I E -Bc 82 432A 4 34,-1.9 34,-3.1 -2,-0.4 2,-0.7 -0.991 9.9-164.9-111.6 122.5 2.1 27.7 47.8 49 50 A V E -Bc 81 433A 4 383,-3.0 385,-2.2 -2,-0.5 2,-0.6 -0.922 5.2-165.8-110.4 107.1 -1.5 26.8 46.9 50 51 A A E +B 80 0A 0 30,-2.9 30,-2.7 -2,-0.7 383,-0.1 -0.826 27.3 148.0 -96.5 120.0 -1.7 26.2 43.2 51 52 A S + 0 0 48 -2,-0.6 2,-0.2 28,-0.2 -1,-0.1 0.508 48.8 82.9-126.8 -13.7 -5.3 26.1 41.8 52 53 A T S > S- 0 0 51 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.520 84.5-117.8 -85.8 161.9 -4.9 27.5 38.2 53 54 A E H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.913 118.0 49.3 -63.8 -38.4 -3.8 25.3 35.3 54 55 A E H > S+ 0 0 140 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.912 112.2 47.7 -66.0 -44.3 -0.7 27.5 34.9 55 56 A G H > S+ 0 0 3 379,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.918 112.7 47.2 -64.9 -46.7 0.1 27.3 38.6 56 57 A K H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.856 108.8 55.9 -63.8 -35.3 -0.3 23.5 38.8 57 58 A A H X S+ 0 0 46 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.892 105.7 52.2 -63.8 -38.8 1.8 23.1 35.7 58 59 A R H >< S+ 0 0 88 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.909 112.1 44.6 -62.9 -43.7 4.6 25.0 37.4 59 60 A V H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.919 107.1 60.1 -67.1 -40.2 4.5 22.8 40.4 60 61 A A H >< S+ 0 0 3 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.642 83.2 80.1 -66.5 -15.2 4.2 19.6 38.2 61 62 A K T << S+ 0 0 116 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.778 84.9 64.3 -57.1 -27.7 7.6 20.5 36.6 62 63 A S T < S+ 0 0 0 -3,-2.0 105,-2.7 -4,-0.3 2,-1.6 0.627 79.8 81.2 -71.4 -16.8 9.1 19.0 39.8 63 64 A A S < S+ 0 0 6 -3,-1.8 2,-0.2 103,-0.2 8,-0.2 -0.437 73.7 139.4 -88.0 62.1 7.6 15.5 38.9 64 65 A A > - 0 0 36 -2,-1.6 3,-2.1 3,-0.1 2,-0.2 -0.668 52.6 -10.6-111.6 158.6 10.6 14.9 36.6 65 66 A G G > S+ 0 0 64 1,-0.3 3,-1.6 -2,-0.2 4,-0.1 -0.368 137.4 5.7 59.1-123.2 12.8 11.9 35.8 66 67 A N G 3 S+ 0 0 133 1,-0.3 3,-0.3 -2,-0.2 -1,-0.3 0.593 131.4 61.4 -66.1 -12.4 12.1 9.1 38.2 67 68 A Y G X + 0 0 38 -3,-2.1 3,-1.9 1,-0.2 4,-0.3 0.278 68.7 107.9 -95.7 9.0 9.3 11.2 39.7 68 69 A V G X + 0 0 67 -3,-1.6 3,-1.6 1,-0.3 4,-0.4 0.782 66.2 67.9 -61.4 -27.0 7.2 11.3 36.5 69 70 A F G 3 S+ 0 0 186 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.450 97.7 54.3 -79.1 3.6 4.6 8.9 37.9 70 71 A N G <> S+ 0 0 27 -3,-1.9 4,-1.3 95,-0.1 -1,-0.3 0.426 85.2 89.0 -99.8 -7.5 3.5 11.6 40.4 71 72 A E H <> S+ 0 0 71 -3,-1.6 4,-1.7 -4,-0.3 3,-0.4 0.902 82.3 52.1 -60.1 -46.5 3.0 14.2 37.6 72 73 A R H > S+ 0 0 143 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.858 103.9 58.1 -61.6 -35.5 -0.7 13.4 36.9 73 74 A K H > S+ 0 0 23 1,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.889 109.5 45.5 -59.0 -40.3 -1.6 13.7 40.6 74 75 A M H < S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.816 118.2 42.3 -72.9 -32.4 -0.3 17.3 40.5 75 76 A L H < S+ 0 0 36 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.834 116.8 43.7 -81.2 -35.3 -2.0 18.2 37.3 76 77 A D H < S+ 0 0 28 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.704 91.4 93.2 -93.0 -22.5 -5.4 16.6 37.9 77 78 A A S < S- 0 0 1 -4,-1.2 114,-0.2 -5,-0.3 3,-0.1 -0.258 75.3-127.7 -68.0 160.5 -6.1 17.6 41.4 78 79 A S S S+ 0 0 3 112,-1.0 2,-0.4 1,-0.3 113,-0.2 0.943 91.2 15.5 -71.6 -52.3 -8.1 20.8 42.2 79 80 A H E - D 0 190A 26 111,-2.3 111,-3.0 2,-0.0 2,-0.5 -0.995 67.5-160.4-130.5 131.4 -5.7 22.5 44.6 80 81 A V E -BD 50 189A 0 -30,-2.7 -30,-2.9 -2,-0.4 2,-0.5 -0.959 8.5-157.0-120.4 117.5 -2.0 21.5 45.0 81 82 A V E -BD 49 188A 0 107,-2.4 107,-3.0 -2,-0.5 2,-0.6 -0.829 2.7-159.4 -99.0 124.2 -0.3 22.6 48.2 82 83 A V E -BD 48 187A 0 -34,-3.1 -34,-1.9 -2,-0.5 2,-0.6 -0.917 11.6-151.7 -99.6 116.4 3.5 22.9 48.4 83 84 A F E -BD 47 186A 0 103,-3.1 102,-2.9 -2,-0.6 103,-1.3 -0.802 19.5-176.6 -87.6 121.5 4.7 22.8 52.0 84 85 A C E -BD 46 184A 1 -38,-2.5 -38,-1.7 -2,-0.6 2,-0.3 -0.906 13.0-152.3-122.2 146.3 8.0 24.8 52.4 85 86 A A E -BD 45 183A 2 98,-2.4 98,-2.1 -2,-0.3 -40,-0.3 -0.875 28.2-104.5-111.1 150.6 10.3 25.3 55.4 86 87 A K E - D 0 182A 15 -42,-2.3 96,-0.3 -2,-0.3 53,-0.1 -0.358 23.6-140.2 -57.7 151.0 12.6 28.2 56.2 87 88 A T S S+ 0 0 65 94,-1.7 2,-0.3 1,-0.3 48,-0.1 0.690 81.7 13.9 -93.3 -21.0 16.2 27.3 55.6 88 89 A A S S- 0 0 52 93,-0.4 2,-0.8 46,-0.1 -1,-0.3 -0.983 75.6-118.8-149.7 148.6 17.6 29.1 58.7 89 90 A M - 0 0 8 -2,-0.3 2,-0.2 35,-0.1 45,-0.1 -0.814 39.5-175.2 -93.7 111.1 16.0 30.5 61.9 90 91 A D > - 0 0 64 -2,-0.8 4,-1.6 1,-0.1 3,-0.4 -0.663 35.5-116.4-105.8 157.1 16.7 34.3 62.0 91 92 A D H > S+ 0 0 90 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.796 110.7 61.6 -63.0 -32.8 16.0 36.9 64.7 92 93 A V H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 106.3 46.9 -63.1 -38.6 13.6 38.9 62.5 93 94 A W H > S+ 0 0 20 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.903 110.3 52.0 -68.1 -41.4 11.3 35.8 62.3 94 95 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.911 112.3 46.6 -61.4 -40.2 11.5 35.2 66.0 95 96 A K H X S+ 0 0 100 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.876 108.8 55.4 -67.5 -38.9 10.5 38.9 66.6 96 97 A L H X S+ 0 0 57 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.913 108.9 47.7 -60.2 -45.1 7.7 38.6 64.0 97 98 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.930 113.4 45.3 -63.8 -47.1 6.2 35.6 65.9 98 99 A V H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.881 112.2 52.0 -69.4 -35.7 6.3 37.2 69.4 99 100 A D H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.861 109.4 50.4 -65.3 -36.4 4.9 40.5 68.1 100 101 A Q H X S+ 0 0 47 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.897 108.3 51.7 -67.9 -40.7 2.0 38.6 66.5 101 102 A E H <>S+ 0 0 6 -4,-2.1 5,-2.2 1,-0.2 6,-0.3 0.883 111.3 49.0 -63.1 -35.2 1.3 36.8 69.8 102 103 A D H ><5S+ 0 0 68 -4,-1.9 3,-1.7 1,-0.2 5,-0.2 0.912 108.2 52.5 -69.0 -43.3 1.2 40.2 71.5 103 104 A A H 3<5S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.8 54.4 -61.3 -31.9 -1.1 41.6 68.9 104 105 A D T 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.436 120.5-110.7 -85.0 -1.0 -3.4 38.7 69.5 105 106 A G T < 5S+ 0 0 46 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.772 73.8 135.7 83.3 31.0 -3.5 39.5 73.2 106 107 A R < + 0 0 44 -5,-2.2 2,-0.5 314,-0.1 -4,-0.2 0.646 57.9 69.8 -83.5 -14.7 -1.5 36.5 74.6 107 108 A F - 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0 0 7 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.786 39.1-174.7 -90.8 107.2 16.2 1.9 58.2 308 91 B D > - 0 0 58 -2,-0.9 4,-1.4 1,-0.1 3,-0.3 -0.583 35.4-115.1-100.9 162.6 17.1 -1.8 57.9 309 92 B D H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.772 111.1 62.6 -69.8 -29.5 16.0 -4.4 55.3 310 93 B V H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 105.9 47.5 -61.9 -40.7 14.2 -6.6 57.9 311 94 B W H > S+ 0 0 18 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.889 109.2 52.3 -67.0 -41.7 11.8 -3.7 58.6 312 95 B L H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.887 112.4 46.3 -62.1 -39.5 11.2 -3.0 54.9 313 96 B K H X S+ 0 0 119 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.893 108.8 55.9 -68.4 -39.6 10.3 -6.7 54.4 314 97 B L H X S+ 0 0 57 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 109.1 47.3 -57.0 -44.5 8.1 -6.5 57.5 315 98 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.914 113.9 44.4 -68.3 -45.1 6.1 -3.7 56.0 316 99 B V H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.879 113.0 52.2 -71.0 -32.9 5.6 -5.3 52.6 317 100 B D H X S+ 0 0 54 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.871 109.7 49.8 -68.2 -34.8 4.7 -8.6 54.1 318 101 B Q H X S+ 0 0 45 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.907 108.7 51.5 -69.0 -42.4 2.1 -6.9 56.3 319 102 B E H X>S+ 0 0 7 -4,-2.1 5,-2.4 1,-0.2 4,-0.5 0.878 111.2 49.6 -60.4 -35.5 0.6 -5.1 53.2 320 103 B D H ><5S+ 0 0 68 -4,-1.8 3,-1.1 2,-0.2 5,-0.2 0.929 109.0 50.3 -69.3 -45.5 0.5 -8.6 51.6 321 104 B A H 3<5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.0 53.7 -59.3 -35.4 -1.3 -10.2 54.6 322 105 B D H 3<5S- 0 0 62 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.582 120.3-109.1 -80.5 -11.5 -3.8 -7.3 54.6 323 106 B G T <<5S+ 0 0 43 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.710 74.1 134.2 94.6 26.1 -4.6 -7.9 50.9 324 107 B R < + 0 0 46 -5,-2.4 2,-0.5 -122,-0.1 -4,-0.2 0.654 59.0 70.8 -78.7 -15.1 -3.1 -4.9 49.1 325 108 B F - 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