==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-APR-01 1ICR . COMPND 2 MOLECULE: OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.L.LOVERING,E.I.HYDE,P.F.SEARLE,S.A.WHITE . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 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 . 29 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 4 0 2 3 3 0 0 0 0 4 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 132 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 103.2 22.1 -4.1 36.9 2 3 A I H > + 0 0 11 370,-0.2 4,-2.4 1,-0.2 5,-0.1 0.754 360.0 60.9 -65.3 -24.9 22.1 -3.1 33.3 3 4 A I H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 103.4 49.8 -69.9 -38.9 22.7 -6.7 32.1 4 5 A S H > S+ 0 0 56 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.904 110.8 51.6 -63.8 -39.6 19.4 -7.8 33.7 5 6 A V H X S+ 0 0 33 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.938 110.2 47.4 -61.9 -47.1 17.8 -4.9 31.9 6 7 A A H < S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.5 45.4 -62.6 -39.0 19.2 -5.9 28.6 7 8 A L H < S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 117.8 43.0 -76.9 -25.4 18.2 -9.6 29.1 8 9 A K H < S+ 0 0 162 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.643 90.0 96.5 -96.5 -17.6 14.7 -8.7 30.3 9 10 A R < + 0 0 22 -4,-1.9 2,-0.3 -5,-0.2 150,-0.1 -0.304 51.7 177.3 -69.5 159.5 13.7 -6.0 27.9 10 11 A H - 0 0 23 150,-0.1 2,-0.8 194,-0.0 150,-0.6 -0.990 39.8 -90.1-158.5 160.9 11.6 -7.0 24.8 11 12 A S B -a 160 0A 29 -2,-0.3 2,-0.3 188,-0.1 150,-0.2 -0.684 48.1-134.9 -79.0 111.8 9.8 -5.6 21.8 12 13 A T - 0 0 0 148,-2.4 3,-0.1 -2,-0.8 -1,-0.0 -0.522 21.8-173.5 -72.0 127.3 6.2 -4.9 23.0 13 14 A K S S+ 0 0 69 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.566 72.3 24.8 -97.7 -11.6 3.5 -6.0 20.7 14 15 A A - 0 0 20 180,-0.1 180,-1.9 59,-0.1 2,-0.3 -0.951 69.5-153.3-155.8 132.7 0.5 -4.5 22.6 15 16 A F B -G 193 0B 8 -2,-0.3 2,-0.9 178,-0.3 178,-0.3 -0.758 20.1-126.3-110.5 155.1 0.3 -1.6 25.0 16 17 A D > - 0 0 47 176,-3.0 3,-1.8 -2,-0.3 176,-0.3 -0.876 21.3-159.8 -96.8 104.4 -2.1 -0.7 27.8 17 18 A A T 3 S+ 0 0 43 -2,-0.9 -1,-0.1 1,-0.3 176,-0.0 0.680 86.3 61.7 -61.1 -19.6 -3.3 2.8 26.8 18 19 A S T 3 S+ 0 0 95 1,-0.1 2,-1.1 174,-0.1 -1,-0.3 0.603 85.3 83.3 -83.6 -11.5 -4.4 3.6 30.4 19 20 A K < - 0 0 107 -3,-1.8 59,-0.3 173,-0.2 173,-0.3 -0.742 67.5-175.6 -97.4 90.9 -0.8 3.3 31.7 20 21 A K - 0 0 100 -2,-1.1 2,-0.1 1,-0.1 171,-0.1 -0.415 31.2-102.4 -84.8 157.6 0.8 6.6 31.0 21 22 A L - 0 0 13 169,-0.2 -1,-0.1 -2,-0.1 171,-0.0 -0.455 45.0-110.0 -70.7 151.6 4.4 7.7 31.6 22 23 A T > - 0 0 69 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.373 31.4-103.5 -77.0 165.4 4.7 9.8 34.7 23 24 A P H > S+ 0 0 115 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.918 124.3 48.1 -57.3 -41.6 5.5 13.5 34.2 24 25 A E H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.918 109.8 51.6 -66.1 -41.9 9.1 12.9 35.2 25 26 A Q H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 105.0 56.9 -61.5 -38.9 9.4 9.8 32.9 26 27 A A H X S+ 0 0 19 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.876 111.4 42.9 -60.0 -36.9 8.1 11.9 30.0 27 28 A E H X S+ 0 0 85 -4,-1.4 4,-1.8 -3,-0.2 -2,-0.2 0.881 110.6 57.0 -76.0 -37.6 11.0 14.4 30.6 28 29 A Q H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.867 102.5 52.6 -62.5 -38.7 13.5 11.6 31.1 29 30 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.874 108.8 51.9 -67.6 -31.0 12.9 10.0 27.7 30 31 A K H X S+ 0 0 13 -4,-0.9 4,-2.3 -5,-0.2 -1,-0.2 0.879 106.6 53.3 -69.4 -36.2 13.5 13.4 26.1 31 32 A T H X S+ 0 0 29 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.909 107.2 52.4 -64.0 -40.6 16.8 13.7 28.0 32 33 A L H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.928 108.8 49.1 -61.4 -45.2 17.8 10.3 26.6 33 34 A L H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.945 114.6 46.1 -58.7 -46.8 17.1 11.4 23.1 34 35 A Q H 3< S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.5 47.1 -63.7 -44.8 19.0 14.6 23.6 35 36 A Y H 3< S+ 0 0 57 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.324 76.1 123.1 -88.0 8.8 22.1 13.2 25.2 36 37 A S << - 0 0 0 -3,-0.8 109,-0.1 -4,-0.6 7,-0.1 -0.376 64.9-115.5 -65.4 146.6 22.9 10.2 22.9 37 38 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.334 36.0-179.9 -78.5 169.0 26.4 10.4 21.5 38 39 A S > - 0 0 18 106,-0.1 3,-2.7 341,-0.1 2,-0.1 -0.962 41.9 -70.3-164.5 154.3 27.0 10.8 17.7 39 40 A S G > S- 0 0 23 1,-0.3 3,-2.1 -2,-0.3 4,-0.1 -0.314 120.3 -9.0 -55.3 124.5 30.0 11.1 15.4 40 41 A T G 3 S- 0 0 41 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.635 117.0 -80.3 58.2 18.1 31.7 14.5 16.0 41 42 A N G < S+ 0 0 20 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.842 86.8 153.8 58.1 33.8 28.7 15.3 18.1 42 43 A S < - 0 0 0 -3,-2.1 3,-0.1 2,-0.1 -2,-0.1 0.738 29.5-165.3 -64.6 -26.8 27.0 16.1 14.8 43 44 A Q - 0 0 2 1,-0.2 2,-2.1 -4,-0.1 -1,-0.1 0.859 9.9-178.3 37.9 54.5 23.6 15.3 16.3 44 45 A P + 0 0 0 0, 0.0 42,-2.0 0, 0.0 2,-0.3 -0.260 42.3 100.0 -78.5 54.8 22.1 15.1 12.8 45 46 A W E -B 85 0A 1 -2,-2.1 2,-0.3 40,-0.2 40,-0.2 -0.885 51.5-161.9-142.9 165.8 18.6 14.4 14.1 46 47 A H E -B 84 0A 18 38,-1.8 38,-2.5 -2,-0.3 2,-0.4 -0.983 17.2-152.7-143.2 146.0 15.1 15.6 15.0 47 48 A F E -Bc 83 430A 0 382,-3.0 384,-3.1 -2,-0.3 2,-0.5 -0.959 6.9-158.5-125.5 140.8 12.5 13.9 17.2 48 49 A I E -Bc 82 431A 3 34,-1.7 34,-2.9 -2,-0.4 2,-0.6 -0.982 11.4-165.9-114.0 122.4 8.8 14.0 17.2 49 50 A V E -Bc 81 432A 4 382,-3.1 384,-2.2 -2,-0.5 2,-0.6 -0.925 4.9-166.2-113.4 107.3 7.3 13.0 20.6 50 51 A A E +B 80 0A 0 30,-3.1 30,-2.5 -2,-0.6 382,-0.1 -0.831 26.8 149.0 -97.3 121.3 3.6 12.3 20.3 51 52 A S + 0 0 46 -2,-0.6 2,-0.2 28,-0.2 -1,-0.1 0.434 51.1 80.0-127.2 -8.2 1.7 12.1 23.6 52 53 A T S > S- 0 0 62 1,-0.1 4,-2.7 0, 0.0 5,-0.3 -0.636 84.2-116.8 -99.3 162.1 -1.8 13.4 22.7 53 54 A E H > S+ 0 0 122 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.918 118.3 47.1 -62.5 -42.2 -4.5 11.4 20.9 54 55 A E H > S+ 0 0 144 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 112.5 50.1 -64.6 -43.0 -4.4 13.8 18.0 55 56 A G H > S+ 0 0 1 378,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.914 112.4 45.1 -62.1 -45.8 -0.6 13.6 17.8 56 57 A K H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.846 109.5 56.5 -68.4 -32.5 -0.4 9.8 17.9 57 58 A A H X S+ 0 0 50 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.891 104.6 53.2 -65.4 -37.1 -3.2 9.6 15.3 58 59 A R H >< S+ 0 0 63 -4,-1.8 3,-0.7 1,-0.2 4,-0.2 0.915 112.5 43.8 -63.9 -41.3 -1.1 11.7 13.0 59 60 A V H >< S+ 0 0 0 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.902 105.4 62.7 -69.6 -40.7 1.8 9.4 13.4 60 61 A A H >< S+ 0 0 8 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.602 81.4 81.2 -62.0 -12.1 -0.4 6.3 13.0 61 62 A K T << S+ 0 0 112 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.809 85.1 62.8 -61.9 -27.5 -1.3 7.4 9.5 62 63 A S T < S+ 0 0 0 -3,-2.1 105,-2.6 -4,-0.2 2,-1.6 0.627 80.1 83.0 -72.5 -15.6 2.1 5.8 8.6 63 64 A A S < S+ 0 0 7 -3,-1.5 8,-0.2 103,-0.2 -1,-0.2 -0.413 72.1 126.4 -87.5 60.3 0.9 2.3 9.7 64 65 A A > + 0 0 36 -2,-1.6 3,-2.5 3,-0.1 2,-0.1 -0.654 56.4 1.7-114.4 170.5 -0.8 1.7 6.4 65 66 A G G > S+ 0 0 62 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 -0.347 138.1 3.5 58.4-124.0 -0.8 -1.0 3.7 66 67 A N G 3 S+ 0 0 122 1,-0.3 3,-0.3 -2,-0.1 -1,-0.3 0.598 133.3 61.7 -68.1 -9.6 1.6 -3.8 4.8 67 68 A Y G X + 0 0 36 -3,-2.5 3,-2.4 1,-0.2 4,-0.3 0.282 62.3 107.5-103.3 11.6 2.1 -1.9 8.0 68 69 A V G X + 0 0 93 -3,-1.4 3,-1.7 1,-0.3 4,-0.5 0.788 69.1 73.3 -58.0 -25.3 -1.4 -1.9 9.5 69 70 A F G 3 S+ 0 0 148 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.652 96.2 50.6 -64.1 -13.8 -0.2 -4.5 12.0 70 71 A N G <> S+ 0 0 21 -3,-2.4 4,-1.6 95,-0.2 -1,-0.3 0.451 82.6 91.6-103.9 -0.7 1.7 -1.6 13.7 71 72 A E H <> S+ 0 0 79 -3,-1.7 4,-1.5 -4,-0.3 5,-0.2 0.899 84.4 51.6 -60.9 -44.6 -1.2 0.8 14.0 72 73 A R H > S+ 0 0 128 -4,-0.5 4,-3.1 1,-0.2 5,-0.3 0.888 106.7 54.6 -61.5 -39.5 -2.4 -0.3 17.5 73 74 A K H > S+ 0 0 8 1,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.918 110.4 46.0 -60.1 -44.3 1.1 0.0 18.9 74 75 A M H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 119.3 41.0 -70.6 -26.2 1.4 3.6 17.7 75 76 A L H < S+ 0 0 27 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.822 116.8 44.6 -90.3 -35.6 -2.1 4.5 19.1 76 77 A D H < S+ 0 0 35 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.690 88.5 94.9 -86.3 -22.7 -2.1 2.6 22.4 77 78 A A S < S- 0 0 0 -4,-1.4 114,-0.2 -5,-0.3 3,-0.1 -0.375 77.5-125.5 -69.7 152.5 1.3 3.5 23.8 78 79 A S S S+ 0 0 1 112,-0.4 2,-0.4 -59,-0.3 113,-0.2 0.943 92.7 14.4 -61.5 -51.7 1.6 6.4 26.2 79 80 A H E - D 0 190A 22 111,-2.7 111,-3.8 2,-0.0 2,-0.5 -0.969 66.8-158.6-128.7 143.1 4.3 8.2 24.1 80 81 A V E -BD 50 189A 0 -30,-2.5 -30,-3.1 -2,-0.4 2,-0.5 -0.980 7.7-159.0-126.3 122.3 5.5 7.7 20.6 81 82 A V E -BD 49 188A 0 107,-2.2 107,-3.4 -2,-0.5 2,-0.6 -0.867 2.6-158.9-104.2 127.2 8.9 8.9 19.4 82 83 A V E -BD 48 187A 0 -34,-2.9 -34,-1.7 -2,-0.5 2,-0.6 -0.921 11.8-150.4-104.4 116.4 9.7 9.4 15.7 83 84 A F E -BD 47 186A 0 103,-3.3 102,-3.0 -2,-0.6 103,-1.3 -0.787 20.1-175.6 -88.9 120.5 13.4 9.3 15.1 84 85 A C E -BD 46 184A 0 -38,-2.5 -38,-1.8 -2,-0.6 2,-0.3 -0.901 13.8-152.1-120.2 147.4 14.4 11.5 12.1 85 86 A A E -BD 45 183A 2 98,-2.4 98,-1.8 -2,-0.3 -40,-0.2 -0.850 29.8-104.1-114.3 150.4 17.6 12.1 10.3 86 87 A K E - D 0 182A 14 -42,-2.0 96,-0.3 -2,-0.3 3,-0.1 -0.419 23.1-139.8 -65.9 149.4 18.7 15.3 8.4 87 88 A T S S+ 0 0 67 94,-2.0 2,-0.3 1,-0.3 -1,-0.1 0.652 83.4 10.7 -86.9 -16.4 18.5 14.8 4.7 88 89 A A S S- 0 0 47 93,-0.4 2,-0.6 46,-0.1 -1,-0.3 -0.965 74.4-121.2-159.5 143.1 21.8 16.7 4.1 89 90 A M - 0 0 10 -2,-0.3 2,-0.3 -3,-0.1 45,-0.1 -0.795 36.7-177.3 -91.3 124.4 24.6 18.0 6.2 90 91 A D > - 0 0 57 -2,-0.6 4,-1.7 1,-0.1 3,-0.5 -0.807 38.6-115.0-119.6 160.6 25.1 21.8 5.9 91 92 A D H > S+ 0 0 87 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.811 112.3 63.3 -64.2 -30.4 27.5 24.3 7.3 92 93 A V H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 105.7 45.5 -60.7 -40.4 24.8 26.1 9.2 93 94 A W H > S+ 0 0 18 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.908 111.6 52.3 -68.5 -41.1 24.2 22.9 11.2 94 95 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.884 110.5 47.7 -62.3 -38.2 27.9 22.5 11.7 95 96 A K H X S+ 0 0 123 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.886 108.3 56.0 -69.8 -38.0 28.2 26.0 13.0 96 97 A L H X S+ 0 0 59 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.924 108.8 47.2 -58.7 -46.0 25.3 25.5 15.3 97 98 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 114.0 44.1 -64.4 -48.6 27.0 22.5 16.9 98 99 A V H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.873 112.7 52.5 -67.1 -35.4 30.4 24.1 17.5 99 100 A D H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.856 109.6 50.6 -67.4 -32.9 28.8 27.3 18.8 100 101 A Q H X S+ 0 0 41 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.908 108.6 50.3 -70.7 -40.8 26.8 25.2 21.3 101 102 A E H <>S+ 0 0 8 -4,-2.2 5,-2.3 1,-0.2 4,-0.3 0.876 111.8 49.9 -63.1 -35.8 29.9 23.4 22.5 102 103 A D H ><5S+ 0 0 64 -4,-2.0 3,-1.4 1,-0.2 5,-0.3 0.926 109.1 50.2 -67.3 -45.4 31.5 26.8 22.9 103 104 A A H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.866 107.9 54.6 -61.2 -35.6 28.5 28.1 24.9 104 105 A D T 3<5S- 0 0 60 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.547 121.0-108.6 -77.1 -6.6 28.6 25.0 27.1 105 106 A G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.760 75.7 132.4 89.2 28.1 32.3 25.7 27.9 106 107 A R < + 0 0 49 -5,-2.3 2,-0.5 313,-0.1 -4,-0.2 0.578 60.3 67.9 -87.5 -8.4 34.2 23.0 26.1 107 108 A F - 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0 0 0 -3,-0.7 109,-0.1 -4,-0.5 7,-0.1 -0.360 64.3-117.2 -64.3 146.9 21.0 -6.1 21.3 254 38 B P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.317 35.0-179.4 -79.9 171.4 17.8 -6.0 19.3 255 39 B S > - 0 0 19 -93,-0.1 3,-2.5 106,-0.1 2,-0.1 -0.961 41.0 -70.4-165.8 155.9 17.7 -5.6 15.5 256 40 B S G > S- 0 0 24 1,-0.3 3,-2.4 -2,-0.3 4,-0.1 -0.333 120.3 -8.0 -56.3 127.3 15.2 -5.4 12.7 257 41 B T G 3 S- 0 0 43 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.639 116.5 -82.3 55.7 18.2 13.4 -8.8 12.2 258 42 B N G < S+ 0 0 17 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.824 86.4 153.7 56.4 32.3 16.0 -10.1 14.7 259 43 B S < - 0 0 0 -3,-2.4 3,-0.1 1,-0.1 -2,-0.1 0.724 31.0-163.2 -63.3 -25.5 18.3 -10.3 11.7 260 44 B Q - 0 0 1 1,-0.2 2,-2.2 -4,-0.1 -1,-0.1 0.860 11.2-178.6 39.0 54.0 21.4 -9.9 13.8 261 45 B P + 0 0 0 0, 0.0 42,-2.1 0, 0.0 2,-0.3 -0.245 43.2 99.1 -77.6 53.5 23.5 -9.0 10.6 262 46 B W E - J 0 302C 0 -2,-2.2 2,-0.3 40,-0.2 40,-0.2 -0.876 51.7-161.9-141.9 167.4 26.7 -8.7 12.6 263 47 B H E - J 0 301C 22 38,-1.9 38,-2.5 -2,-0.3 2,-0.4 -0.982 17.0-150.9-145.0 145.3 30.0 -10.0 13.8 264 48 B F E -hJ 213 300C 0 -52,-2.9 -50,-2.8 -2,-0.3 2,-0.6 -0.951 6.1-160.2-123.0 139.4 32.1 -8.8 16.7 265 49 B I E -hJ 214 299C 4 34,-1.8 34,-3.0 -2,-0.4 2,-0.7 -0.981 12.0-165.5-115.3 116.2 35.9 -9.0 17.2 266 50 B V E -hJ 215 298C 3 -52,-3.1 -50,-2.4 -2,-0.6 2,-0.6 -0.899 4.1-164.8-107.7 106.1 36.7 -8.6 20.9 267 51 B A E + J 0 297C 0 30,-3.1 30,-2.6 -2,-0.7 -52,-0.1 -0.817 28.4 147.2 -94.9 117.2 40.4 -7.9 21.3 268 52 B S + 0 0 48 -52,-2.8 2,-0.2 -2,-0.6 -1,-0.2 0.534 49.8 81.7-122.0 -18.4 41.8 -8.4 24.8 269 53 B T S > S- 0 0 64 -53,-1.2 4,-2.7 1,-0.1 5,-0.3 -0.579 84.2-119.1 -88.5 156.7 45.3 -9.6 24.3 270 54 B E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 116.6 48.1 -60.8 -39.7 48.1 -7.2 23.5 271 55 B E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 111.1 51.2 -68.5 -38.4 48.8 -8.8 20.2 272 56 B G H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.929 111.8 45.4 -64.3 -46.0 45.1 -8.8 19.3 273 57 B K H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.875 108.9 57.5 -65.5 -35.4 44.7 -5.1 20.1 274 58 B A H X S+ 0 0 37 -4,-2.0 4,-0.8 -5,-0.3 -1,-0.2 0.890 104.4 52.6 -61.9 -37.5 47.9 -4.4 18.2 275 59 B R H >< S+ 0 0 84 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.907 111.2 45.5 -64.3 -41.6 46.3 -6.0 15.1 276 60 B V H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.917 106.1 60.4 -67.4 -41.7 43.2 -3.8 15.4 277 61 B A H >< S+ 0 0 4 -4,-2.8 3,-1.9 1,-0.3 4,-0.4 0.694 85.5 77.9 -60.1 -19.9 45.4 -0.7 16.0 278 62 B K G X< S+ 0 0 106 -4,-0.8 3,-1.1 -3,-0.6 -1,-0.3 0.815 84.1 65.0 -59.5 -27.8 47.0 -1.3 12.6 279 63 B S G < S+ 0 0 0 -3,-2.2 105,-2.7 -4,-0.3 -1,-0.3 0.650 101.1 49.1 -70.0 -15.0 43.8 0.2 11.2 280 64 B A G < S+ 0 0 0 -3,-1.9 4,-0.4 -4,-0.2 7,-0.3 0.426 81.4 122.3-102.6 -1.9 44.7 3.5 12.7 281 65 B A S < S+ 0 0 51 -3,-1.1 2,-0.7 -4,-0.4 3,-0.2 -0.387 76.4 3.2 -62.4 134.2 48.3 3.5 11.4 282 66 B G S > S+ 0 0 55 1,-0.2 3,-1.5 -2,-0.1 4,-0.2 -0.823 135.6 21.4 98.2-117.2 48.9 6.6 9.3 283 67 B N T 3 S+ 0 0 159 -2,-0.7 -1,-0.2 1,-0.3 3,-0.2 0.711 134.4 38.2 -63.7 -23.9 46.1 9.2 9.1 284 68 B Y T > S+ 0 0 47 -4,-0.4 3,-2.8 -3,-0.2 4,-0.3 0.070 76.1 130.2-114.5 22.6 44.4 8.0 12.2 285 69 B V G X + 0 0 60 -3,-1.5 3,-1.6 1,-0.3 4,-0.4 0.770 64.1 65.1 -46.8 -34.1 47.6 7.3 14.2 286 70 B F G 3 S+ 0 0 183 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.473 95.0 58.9 -74.5 1.0 46.3 9.3 17.1 287 71 B N G <> S+ 0 0 24 -3,-2.8 4,-1.4 -7,-0.3 -1,-0.3 0.451 84.5 84.6-102.6 -5.0 43.6 6.8 17.7 288 72 B E H <> S+ 0 0 53 -3,-1.6 4,-1.5 -4,-0.3 3,-0.2 0.924 83.2 54.6 -62.7 -48.3 46.1 4.0 18.1 289 73 B R H > S+ 0 0 147 -4,-0.4 4,-3.3 1,-0.2 5,-0.4 0.885 105.5 54.2 -55.5 -39.9 46.8 4.6 21.8 290 74 B K H > S+ 0 0 25 1,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.914 110.6 46.3 -59.9 -43.0 43.1 4.3 22.6 291 75 B M H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.686 119.8 40.1 -73.0 -20.5 43.0 0.9 20.9 292 76 B L H < S+ 0 0 29 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.2 0.823 115.9 45.4 -96.7 -39.1 46.1 -0.3 22.6 293 77 B D H < S+ 0 0 30 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.760 90.5 93.4 -79.1 -27.4 45.7 1.0 26.2 294 78 B A S < S- 0 0 0 -4,-1.4 114,-0.2 -5,-0.4 3,-0.1 -0.330 79.1-127.1 -65.6 151.0 42.0 0.0 26.7 295 79 B S S S+ 0 0 3 112,-0.7 2,-0.4 -59,-0.3 113,-0.2 0.952 91.3 14.9 -63.1 -52.3 41.4 -3.3 28.3 296 80 B H E - K 0 407C 24 111,-2.2 111,-3.4 2,-0.0 2,-0.5 -0.983 66.6-160.6-128.7 138.3 39.1 -4.7 25.7 297 81 B V E -JK 267 406C 0 -30,-2.6 -30,-3.1 -2,-0.4 2,-0.5 -0.974 8.2-157.9-123.1 121.1 38.5 -3.4 22.1 298 82 B V E -JK 266 405C 0 107,-2.3 107,-2.9 -2,-0.5 2,-0.7 -0.857 2.8-157.9-103.1 125.1 35.4 -4.4 20.2 299 83 B V E -JK 265 404C 0 -34,-3.0 -34,-1.8 -2,-0.5 2,-0.6 -0.897 12.3-150.5-101.4 116.7 35.2 -4.2 16.4 300 84 B F E -JK 264 403C 0 103,-3.0 102,-2.9 -2,-0.7 103,-1.2 -0.784 20.1-176.5 -88.5 120.7 31.6 -4.0 15.3 301 85 B C E -JK 263 401C 0 -38,-2.5 -38,-1.9 -2,-0.6 2,-0.3 -0.912 14.0-150.7-121.1 148.2 31.2 -5.5 11.8 302 86 B A E -JK 262 400C 2 98,-2.4 98,-1.7 -2,-0.3 -40,-0.2 -0.844 29.0-104.3-114.1 150.9 28.2 -5.8 9.5 303 87 B K E - K 0 399C 11 -42,-2.1 96,-0.3 -2,-0.3 3,-0.1 -0.419 21.0-143.2 -67.0 150.1 27.4 -8.5 7.0 304 88 B T S S+ 0 0 68 94,-1.6 2,-0.3 1,-0.3 -1,-0.1 0.593 84.3 14.6 -90.6 -13.0 28.1 -7.4 3.4 305 89 B A S S- 0 0 49 93,-0.5 2,-1.0 46,-0.1 -1,-0.3 -0.959 72.3-127.1-160.1 141.1 25.0 -9.3 2.2 306 90 B M - 0 0 20 -2,-0.3 2,-0.1 -3,-0.1 39,-0.1 -0.774 36.0-170.8 -96.1 95.8 22.0 -11.0 3.7 307 91 B D >> - 0 0 67 -2,-1.0 4,-1.7 1,-0.1 3,-0.6 -0.444 34.1-116.0 -85.3 157.9 22.0 -14.6 2.4 308 92 B D H 3> S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.803 113.3 63.8 -62.2 -31.0 19.2 -17.1 2.9 309 93 B V H 3> S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 105.4 45.3 -60.8 -38.6 21.5 -19.3 4.9 310 94 B W H <> S+ 0 0 16 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.907 110.3 53.7 -71.4 -41.4 21.7 -16.6 7.6 311 95 B L H X S+ 0 0 7 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.903 111.7 44.9 -59.6 -41.8 17.9 -16.0 7.4 312 96 B K H X S+ 0 0 123 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.881 108.7 57.9 -69.5 -36.8 17.3 -19.7 8.1 313 97 B L H X S+ 0 0 59 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.930 109.2 45.9 -57.1 -46.1 19.9 -19.6 10.8 314 98 B V H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.939 115.2 43.0 -64.4 -50.5 18.0 -16.9 12.6 315 99 B V H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.855 113.0 53.3 -68.1 -33.6 14.5 -18.4 12.3 316 100 B D H X S+ 0 0 51 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.854 109.2 49.7 -68.4 -33.4 15.8 -21.9 13.3 317 101 B Q H X S+ 0 0 49 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.896 109.6 50.6 -71.1 -39.9 17.4 -20.4 16.4 318 102 B E H <>S+ 0 0 8 -4,-2.1 5,-2.3 2,-0.2 6,-0.3 0.898 112.4 48.0 -63.3 -37.8 14.1 -18.7 17.3 319 103 B D H ><5S+ 0 0 65 -4,-2.1 3,-1.8 1,-0.2 5,-0.3 0.928 109.3 52.2 -67.4 -44.4 12.4 -22.0 16.8 320 104 B A H 3<5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.6 53.5 -60.7 -31.9 15.0 -23.8 19.0 321 105 B D T 3<5S- 0 0 60 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.463 120.5-111.5 -83.2 -1.3 14.4 -21.2 21.7 322 106 B G T < 5S+ 0 0 44 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.781 72.7 136.4 80.1 30.6 10.7 -22.0 21.6 323 107 B R < + 0 0 46 -5,-2.3 2,-0.5 -121,-0.1 -4,-0.2 0.564 59.1 70.1 -85.2 -6.9 9.3 -18.8 20.1 324 108 B F - 0 0 31 -6,-0.3 -1,-0.1 -5,-0.3 -2,-0.0 -0.942 54.1-171.1-117.9 128.2 6.9 -20.7 17.8 325 109 B A S S+ 0 0 101 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.0 0.695 78.1 18.3 -85.0 -21.0 3.9 -22.6 18.9 326 110 B T S > S- 0 0 61 1,-0.1 4,-1.7 0, 0.0 3,-0.3 -0.969 78.0-111.4-146.6 160.1 3.2 -24.2 15.5 327 111 B P H > S+ 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.821 118.8 56.8 -63.2 -27.9 5.0 -24.8 12.2 328 112 B E H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.875 103.0 53.2 -69.6 -36.4 2.8 -22.2 10.6 329 113 B A H > S+ 0 0 37 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.903 110.9 47.3 -63.8 -40.2 3.9 -19.6 13.1 330 114 B K H X S+ 0 0 52 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.928 111.5 49.9 -65.9 -45.7 7.5 -20.4 12.2 331 115 B A H X S+ 0 0 59 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.862 109.8 51.3 -61.4 -37.5 6.7 -20.2 8.5 332 116 B A H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 110.5 49.0 -67.5 -38.5 4.9 -16.9 8.9 333 117 B N H X S+ 0 0 49 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.916 113.0 46.4 -67.1 -43.5 7.9 -15.5 10.8 334 118 B D H X S+ 0 0 60 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.903 111.8 51.9 -65.5 -40.8 10.4 -16.7 8.1 335 119 B K H X S+ 0 0 157 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 110.4 48.2 -63.2 -41.5 8.2 -15.3 5.3 336 120 B G H X S+ 0 0 30 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.905 111.9 48.2 -66.8 -42.6 8.0 -11.9 6.9 337 121 B R H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 112.7 48.9 -64.0 -42.7 11.7 -11.7 7.5 338 122 B K H X S+ 0 0 57 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.864 106.2 58.7 -64.6 -36.4 12.4 -12.7 3.9 339 123 B F H X S+ 0 0 97 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.927 111.4 39.0 -60.5 -46.3 9.9 -10.2 2.6 340 124 B F H X S+ 0 0 52 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.854 113.2 55.0 -75.0 -33.0 11.8 -7.3 4.2 341 125 B A H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 111.7 45.7 -63.9 -41.6 15.2 -8.6 3.4 342 126 B D H X>S+ 0 0 40 -4,-2.6 4,-3.5 2,-0.2 5,-0.6 0.888 108.8 55.9 -67.4 -39.7 14.1 -8.8 -0.3 343 127 B M H X>S+ 0 0 34 -4,-1.9 5,-2.8 -5,-0.2 4,-1.7 0.931 110.8 44.1 -58.5 -46.7 12.6 -5.3 -0.2 344 128 B H H <5S+ 0 0 16 -4,-2.2 6,-2.2 3,-0.2 7,-0.8 0.889 120.9 40.7 -66.5 -38.4 15.9 -3.8 1.0 345 129 B R H <5S+ 0 0 112 -4,-1.9 -2,-0.2 4,-0.2 -3,-0.2 0.936 128.0 25.4 -76.3 -48.2 18.0 -5.9 -1.5 346 130 B K H <5S+ 0 0 114 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.771 134.4 21.0 -90.9 -29.1 15.8 -5.7 -4.6 347 131 B D T < + 0 0 31 -6,-2.2 4,-3.1 -7,-0.1 5,-0.2 0.042 24.9 125.8-136.6 27.7 20.1 -0.5 0.5 351 135 B D H > S+ 0 0 36 -7,-0.8 4,-2.3 1,-0.2 5,-0.2 0.884 78.3 51.5 -58.5 -38.2 20.6 -3.8 2.2 352 136 B A H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 114.7 42.6 -63.2 -45.0 24.2 -3.1 3.1 353 137 B E H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.878 111.4 56.3 -67.2 -38.5 23.2 0.2 4.7 354 138 B W H X S+ 0 0 3 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.920 110.7 42.9 -60.5 -44.9 20.2 -1.4 6.4 355 139 B M H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.892 111.6 54.5 -69.7 -37.9 22.4 -4.0 8.1 356 140 B A H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.860 103.6 57.5 -63.1 -34.2 24.9 -1.4 9.0 357 141 B K H X S+ 0 0 19 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.891 104.0 51.3 -63.1 -39.3 22.1 0.6 10.6 358 142 B Q H X S+ 0 0 2 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.875 108.3 52.8 -65.7 -35.6 21.4 -2.4 12.9 359 143 B V H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.921 107.5 50.4 -66.1 -42.8 25.1 -2.5 13.8 360 144 B Y H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.862 107.9 53.7 -63.1 -33.7 25.0 1.1 14.8 361 145 B L H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.936 107.2 51.4 -64.7 -42.6 22.0 0.5 16.9 362 146 B N H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.934 108.1 52.6 -58.3 -45.2 23.9 -2.3 18.7 363 147 B V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.902 107.6 50.9 -58.0 -43.2 26.7 0.2 19.3 364 148 B G H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.920 111.5 47.1 -61.3 -43.1 24.3 2.7 20.9 365 149 B N H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 113.4 51.1 -61.0 -46.1 23.0 -0.1 23.2 366 150 B F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.887 105.2 52.8 -60.5 -46.9 26.6 -1.0 24.0 367 151 B L H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.896 114.4 42.2 -60.0 -41.6 27.9 2.4 24.9 368 152 B L H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.901 113.9 54.0 -72.2 -39.0 25.1 3.0 27.4 369 153 B G H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.940 110.1 43.9 -60.5 -49.7 25.4 -0.5 28.7 370 154 B V H <>S+ 0 0 2 -4,-2.9 5,-2.5 1,-0.2 3,-0.5 0.865 111.7 54.6 -66.5 -32.5 29.2 -0.4 29.4 371 155 B A H ><5S+ 0 0 19 -4,-1.5 3,-1.5 -5,-0.3 -1,-0.2 0.911 106.4 52.2 -64.6 -39.6 28.7 3.1 31.0 372 156 B A H 3<5S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -370,-0.2 0.680 103.3 57.9 -69.2 -18.4 26.1 1.5 33.3 373 157 B L T 3<5S- 0 0 32 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.471 123.7-107.6 -87.6 -3.3 28.6 -1.2 34.3 374 158 B G T < 5S+ 0 0 56 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.699 77.0 133.9 84.7 21.6 30.9 1.7 35.4 375 159 B L < - 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