==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-FEB-09 3GAG . COMPND 2 MOLECULE: PUTATIVE NADH DEHYDROGENASE, NADPH NITROREDUCTASE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 820 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 11.6 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 . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 6 0 0 2 2 6 6 4 0 0 1 0 0 3 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 8 4 0 0 0 4 1 3 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 0 A G > 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-148.8 46.3 4.1 57.7 2 1 A X H > + 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 360.0 46.0 -54.4 -50.2 45.1 5.2 54.3 3 2 A X H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.944 113.2 49.8 -64.7 -46.3 43.5 1.9 53.3 4 3 A N H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.927 111.0 50.3 -54.8 -47.5 41.8 1.4 56.6 5 4 A D H X S+ 0 0 67 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.875 111.0 47.4 -61.6 -43.1 40.4 4.9 56.5 6 5 A Y H X S+ 0 0 29 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.922 114.2 47.5 -67.1 -41.1 39.0 4.5 52.9 7 6 A L H X S+ 0 0 19 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.936 111.3 50.7 -64.1 -45.5 37.4 1.1 53.9 8 7 A N H X S+ 0 0 86 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 0.909 110.6 50.5 -55.9 -41.6 35.9 2.6 57.0 9 8 A F H < S+ 0 0 12 -4,-2.3 3,-0.4 -5,-0.2 4,-0.4 0.940 112.6 44.2 -63.6 -50.2 34.5 5.4 55.0 10 9 A L H >< S+ 0 0 3 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.905 113.1 52.3 -59.8 -40.2 32.9 3.1 52.4 11 10 A D H 3< S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 95.7 71.4 -67.5 -24.5 31.6 0.8 55.1 12 11 A G T 3< + 0 0 20 -4,-1.2 2,-0.4 -3,-0.4 -1,-0.3 0.650 68.0 106.0 -69.4 -20.3 30.0 3.9 56.9 13 12 A R < + 0 0 9 -3,-1.2 2,-0.3 -4,-0.4 132,-0.1 -0.526 50.7 151.1 -59.6 117.7 27.3 4.2 54.1 14 13 A V - 0 0 19 -2,-0.4 140,-0.6 140,-0.1 2,-0.5 -0.968 53.2 -89.4-148.3 158.3 24.2 2.9 56.0 15 14 A S B -a 154 0A 26 -2,-0.3 2,-0.5 176,-0.2 176,-0.4 -0.670 41.1-171.5 -77.9 124.0 20.4 3.4 55.9 16 15 A V + 0 0 3 138,-2.1 173,-0.1 -2,-0.5 174,-0.1 -0.970 15.8 169.9-114.4 127.8 19.5 6.3 58.2 17 16 A R + 0 0 125 -2,-0.5 2,-0.6 171,-0.1 58,-0.1 0.412 61.4 73.2-119.9 -1.4 15.8 6.8 58.8 18 17 A R + 0 0 153 170,-0.3 169,-2.9 53,-0.1 170,-0.9 -0.938 64.5 174.3-114.6 103.8 15.8 9.4 61.7 19 18 A F B -G 186 0B 5 -2,-0.6 167,-0.2 167,-0.3 57,-0.1 -0.789 39.5-105.1-109.5 160.0 16.9 12.8 60.4 20 19 A D > - 0 0 47 165,-2.4 3,-1.3 -2,-0.3 165,-0.4 -0.696 26.1-157.1 -81.7 112.5 17.1 16.2 62.0 21 20 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.606 90.7 52.5 -72.5 -7.9 14.1 18.2 60.6 22 21 A D T 3 S+ 0 0 137 2,-0.1 2,-0.3 -3,-0.0 54,-0.1 0.524 82.2 108.4-100.6 -5.6 15.9 21.5 61.3 23 22 A A < - 0 0 14 -3,-1.3 2,-0.4 52,-0.2 162,-0.1 -0.551 59.3-145.9 -78.4 131.0 19.1 20.7 59.5 24 23 A V - 0 0 102 -2,-0.3 54,-0.1 160,-0.1 53,-0.1 -0.841 5.4-155.5 -99.9 131.7 19.6 22.7 56.3 25 24 A L - 0 0 0 -2,-0.4 5,-0.1 52,-0.3 158,-0.0 -0.912 27.5-130.3-100.9 109.0 21.5 21.2 53.3 26 25 A P > - 0 0 56 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.263 9.2-126.2 -62.4 148.2 22.8 24.1 51.3 27 26 A N H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.831 108.9 62.2 -65.4 -30.1 22.1 24.2 47.5 28 27 A D H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 107.6 45.0 -57.9 -41.1 25.8 24.6 46.7 29 28 A L H > S+ 0 0 43 -3,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.856 107.5 56.2 -72.7 -37.8 26.3 21.3 48.4 30 29 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.923 111.1 46.0 -56.3 -43.9 23.4 19.6 46.7 31 30 A K H X S+ 0 0 113 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.935 112.1 49.9 -66.5 -44.5 25.0 20.6 43.4 32 31 A D H X S+ 0 0 57 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.919 110.2 52.0 -58.2 -45.9 28.4 19.4 44.5 33 32 A X H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.891 111.8 44.8 -57.0 -44.7 26.9 16.1 45.5 34 33 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.877 110.8 54.6 -69.8 -35.6 25.2 15.6 42.2 35 34 A E H < S+ 0 0 85 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.956 113.0 42.0 -64.0 -48.9 28.4 16.6 40.2 36 35 A H H >< S+ 0 0 24 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.886 112.3 53.7 -68.0 -35.3 30.5 14.1 42.0 37 36 A A H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.881 97.3 68.1 -63.6 -34.0 27.8 11.4 41.8 38 37 A S T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.598 79.4 78.5 -61.3 -14.4 27.7 12.0 38.1 39 38 A Y T < + 0 0 45 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.515 69.4 118.9 -75.2 -2.3 31.2 10.5 37.8 40 39 A A S < S- 0 0 0 -3,-2.2 99,-0.1 1,-0.1 2,-0.1 -0.219 71.9-109.0 -54.9 149.6 29.6 7.1 38.0 41 40 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.418 38.3 177.2 -81.7 158.6 30.1 4.8 35.1 42 41 A S > - 0 0 17 -2,-0.1 3,-2.4 320,-0.1 93,-0.0 -0.940 45.4 -74.2-153.4 152.4 27.2 4.1 32.6 43 42 A G G > S- 0 0 37 -2,-0.3 3,-2.3 1,-0.3 4,-0.2 -0.365 117.3 -11.6 -54.1 124.5 27.1 2.0 29.4 44 43 A N G 3 S- 0 0 77 1,-0.3 -1,-0.3 2,-0.1 72,-0.0 0.637 116.6 -79.1 54.4 23.6 28.8 4.0 26.7 45 44 A N G < S+ 0 0 30 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.803 86.2 147.8 55.9 34.4 28.8 7.0 29.0 46 45 A F < - 0 0 2 -3,-2.3 44,-0.1 43,-0.0 -2,-0.1 0.738 38.1-157.5 -70.5 -21.4 25.0 7.7 28.2 47 46 A Q - 0 0 0 -4,-0.2 -5,-0.1 1,-0.2 355,-0.0 0.923 15.5-179.5 47.8 58.3 24.5 9.0 31.7 48 47 A P + 0 0 0 0, 0.0 37,-2.4 0, 0.0 2,-0.2 0.322 35.1 120.8 -79.3 9.3 20.7 8.3 31.6 49 48 A W E -B 84 0A 1 35,-0.2 2,-0.4 86,-0.1 35,-0.2 -0.486 37.7-175.8 -75.2 142.3 20.0 9.7 35.1 50 49 A R E -B 83 0A 28 33,-2.3 33,-3.1 -2,-0.2 2,-0.4 -0.975 9.5-163.7-131.4 144.3 17.7 12.5 35.8 51 50 A V E -Bc 82 408A 1 356,-2.4 358,-2.0 -2,-0.4 2,-0.4 -0.995 16.6-170.8-135.6 138.6 17.2 13.9 39.2 52 51 A V E -Bc 81 409A 1 29,-2.1 29,-2.9 -2,-0.4 2,-0.6 -0.995 14.0-159.5-123.0 123.7 14.7 16.1 41.0 53 52 A V E -Bc 80 410A 0 356,-3.0 358,-3.4 -2,-0.4 2,-0.6 -0.924 2.8-158.3-108.1 120.8 15.6 17.4 44.5 54 53 A V E +Bc 79 411A 0 25,-2.6 25,-2.4 -2,-0.6 2,-0.4 -0.913 17.6 170.2-100.8 115.1 12.7 18.5 46.7 55 54 A K + 0 0 27 356,-3.0 2,-0.2 -2,-0.6 23,-0.1 -0.777 43.6 98.1-126.5 84.2 13.9 20.8 49.4 56 55 A N > - 0 0 43 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.769 60.5-147.8-172.9 109.6 10.5 22.1 50.9 57 56 A K H > S+ 0 0 71 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.863 97.5 56.8 -62.9 -37.0 9.0 20.5 54.0 58 57 A N H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.942 112.3 42.0 -55.9 -50.1 5.4 21.2 52.9 59 58 A K H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.879 111.3 56.0 -66.2 -38.8 6.0 19.2 49.7 60 59 A Q H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.857 103.9 54.3 -61.6 -37.7 8.0 16.5 51.6 61 60 A E H X S+ 0 0 88 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.905 108.5 49.0 -60.5 -41.7 5.0 16.0 53.9 62 61 A D H X S+ 0 0 63 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.919 112.1 48.8 -62.5 -41.5 2.8 15.4 50.8 63 62 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.842 105.0 58.9 -65.6 -34.1 5.5 13.0 49.6 64 63 A K H ><>S+ 0 0 48 -4,-2.2 3,-1.8 1,-0.2 5,-1.6 0.903 100.3 56.1 -62.2 -39.9 5.5 11.3 53.0 65 64 A K H 3<5S+ 0 0 145 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.776 109.2 47.4 -61.6 -24.9 1.8 10.5 52.5 66 65 A L T <<5S+ 0 0 43 -4,-0.7 95,-3.3 -3,-0.6 -1,-0.3 0.280 104.8 62.5 -97.5 7.2 2.7 8.8 49.2 67 66 A A T X 5S- 0 0 0 -3,-1.8 3,-1.7 93,-0.3 -1,-0.2 -0.210 123.6 -92.4-125.5 36.5 5.5 6.9 50.9 68 67 A A T 3 5S- 0 0 80 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.826 75.4 -69.3 55.9 37.8 3.5 4.8 53.4 69 68 A L T 3 > S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 3,-1.1 0.758 87.0 73.1 -67.3 -26.2 8.8 9.6 58.5 72 71 A Q H 3> S+ 0 0 5 1,-0.3 4,-1.5 2,-0.2 111,-0.1 0.755 87.4 66.2 -59.6 -25.3 12.3 10.1 56.9 73 72 A V H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 110,-0.1 0.906 109.2 36.4 -64.6 -37.2 10.7 11.6 53.8 74 73 A A H <4 S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.643 117.8 48.2 -92.3 -16.9 9.4 14.6 55.8 75 74 A T H < S+ 0 0 34 -4,-1.3 -52,-0.2 -58,-0.1 -2,-0.2 0.664 87.0 106.0 -95.2 -20.6 12.4 15.1 58.2 76 75 A A S < S- 0 0 0 -4,-1.5 108,-0.3 -5,-0.2 3,-0.1 -0.199 76.2-125.4 -61.7 153.8 15.1 14.9 55.6 77 76 A S S S- 0 0 3 106,-1.2 2,-0.3 1,-0.3 -52,-0.3 0.839 92.2 -8.9 -66.5 -35.3 17.0 18.0 54.5 78 77 A A E - D 0 183A 0 105,-2.0 105,-2.8 -23,-0.1 2,-0.6 -0.970 63.9-132.3-158.2 153.9 16.1 17.2 50.9 79 78 A V E -BD 54 182A 0 -25,-2.4 -25,-2.6 -2,-0.3 2,-0.7 -0.961 18.5-153.3-113.7 116.1 14.6 14.3 49.0 80 79 A F E -BD 53 181A 0 101,-2.6 101,-3.1 -2,-0.6 2,-0.6 -0.801 6.2-161.0 -90.9 115.6 16.5 13.2 45.9 81 80 A L E -BD 52 180A 3 -29,-2.9 -29,-2.1 -2,-0.7 2,-0.5 -0.869 8.7-159.3 -98.0 115.0 14.2 11.6 43.3 82 81 A L E +BD 51 179A 2 97,-3.2 96,-2.9 -2,-0.6 97,-1.8 -0.886 15.6 171.7-104.2 124.3 16.3 9.6 40.8 83 82 A F E -BD 50 177A 4 -33,-3.1 -33,-2.3 -2,-0.5 2,-0.4 -0.790 25.5-137.1-118.8 164.5 14.8 8.7 37.4 84 83 A G E -BD 49 176A 0 92,-2.1 92,-2.9 -2,-0.3 2,-0.6 -0.972 12.9-151.1-119.8 139.5 16.1 7.1 34.2 85 84 A D E > - D 0 175A 14 -37,-2.4 3,-2.1 -2,-0.4 4,-0.2 -0.924 3.4-161.6-112.7 111.5 15.2 8.6 30.9 86 85 A E G > S+ 0 0 78 88,-1.3 3,-1.4 -2,-0.6 -1,-0.1 0.781 89.8 69.6 -68.1 -18.3 15.1 6.0 28.1 87 86 A N G 3 S+ 0 0 119 87,-0.3 -1,-0.3 1,-0.2 88,-0.1 0.640 81.0 80.2 -68.3 -8.8 15.3 8.8 25.6 88 87 A A G < + 0 0 8 -3,-2.1 2,-2.2 1,-0.2 -1,-0.2 0.754 69.8 80.1 -69.0 -22.7 18.9 9.2 26.9 89 88 A Y < + 0 0 23 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.2 -0.428 66.3 145.4 -85.0 64.4 20.1 6.3 24.8 90 89 A D > - 0 0 70 -2,-2.2 4,-2.2 1,-0.1 5,-0.1 -0.911 41.3-158.8-111.2 117.8 20.3 8.6 21.7 91 90 A L H > S+ 0 0 22 -2,-0.5 4,-1.9 2,-0.2 5,-0.2 0.786 91.1 57.1 -71.0 -28.8 23.0 8.0 19.2 92 91 A T H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.982 111.0 43.9 -62.1 -56.4 22.9 11.5 17.7 93 92 A W H > S+ 0 0 57 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.925 109.8 57.7 -49.4 -49.6 23.5 13.1 21.1 94 93 A W H X S+ 0 0 21 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.910 109.4 43.7 -53.6 -45.6 26.2 10.5 21.9 95 94 A Q H X S+ 0 0 51 -4,-1.9 4,-2.3 -3,-0.2 5,-0.3 0.968 116.3 46.7 -64.3 -49.6 28.2 11.5 18.8 96 95 A E H X S+ 0 0 124 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.939 113.5 48.2 -58.7 -50.6 27.8 15.2 19.4 97 96 A F H X S+ 0 0 13 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.924 115.3 42.9 -58.5 -48.0 28.6 15.1 23.1 98 97 A H H <>S+ 0 0 17 -4,-2.1 5,-2.0 -5,-0.3 6,-1.2 0.808 116.9 46.4 -75.6 -27.0 31.8 13.0 22.6 99 98 A V H ><5S+ 0 0 51 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.911 112.1 49.8 -77.6 -42.6 33.1 14.9 19.6 100 99 A Q H 3<5S+ 0 0 140 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.825 109.5 53.0 -63.5 -33.7 32.4 18.4 21.1 101 100 A K T 3<5S- 0 0 93 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.461 114.4-118.2 -80.3 -2.1 34.3 17.3 24.3 102 101 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.700 78.3 125.7 73.9 21.1 37.3 16.2 22.2 103 102 A I S - 0 0 63 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.282 37.5-116.5 -69.2 156.5 36.9 12.1 16.0 106 105 A K H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.915 117.2 44.7 -59.7 -45.8 33.6 12.9 14.2 107 106 A D H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 110.6 54.1 -67.1 -37.4 34.1 9.9 11.8 108 107 A E H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 106.0 56.1 -63.7 -32.4 35.1 7.7 14.7 109 108 A A H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.917 105.3 48.2 -65.0 -48.4 31.8 8.7 16.3 110 109 A A H X S+ 0 0 53 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.892 114.0 48.3 -60.7 -40.0 29.7 7.6 13.4 111 110 A A H X S+ 0 0 59 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.899 114.0 45.5 -65.3 -44.1 31.6 4.3 13.4 112 111 A R H X S+ 0 0 32 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.913 108.2 57.8 -66.2 -43.4 31.2 3.8 17.2 113 112 A A H X S+ 0 0 2 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.897 104.1 51.9 -54.1 -42.2 27.5 4.8 17.0 114 113 A E H X S+ 0 0 101 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.870 109.4 49.1 -67.4 -36.2 26.8 2.0 14.5 115 114 A R H X S+ 0 0 85 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.837 110.3 51.8 -68.3 -35.8 28.5 -0.6 16.8 116 115 A I H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 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110.9 49.5 -5.7 34.0 227 20 B P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 0.625 92.3 53.3 -67.5 -11.6 49.2 -9.4 33.0 228 21 B D T 3 S+ 0 0 140 163,-0.1 2,-0.1 2,-0.1 54,-0.1 0.552 84.4 103.6 -94.7 -12.1 51.8 -10.3 35.6 229 22 B A < - 0 0 20 -3,-1.5 2,-0.4 52,-0.2 162,-0.1 -0.462 61.4-145.2 -70.2 145.9 50.1 -8.6 38.7 230 23 B V - 0 0 97 -2,-0.1 53,-0.1 160,-0.1 54,-0.1 -0.862 13.0-158.2-116.7 143.5 48.3 -10.9 41.0 231 24 B L - 0 0 0 -2,-0.4 5,-0.0 52,-0.3 158,-0.0 -0.923 28.0-140.7-118.1 103.3 45.1 -10.4 43.0 232 25 B P > - 0 0 43 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.217 14.3-119.7 -68.4 151.5 45.3 -12.9 45.9 233 26 B N H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.821 110.1 61.1 -61.0 -33.3 42.2 -14.7 47.1 234 27 B D H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 108.5 43.5 -61.1 -43.0 42.4 -13.3 50.6 235 28 B L H > S+ 0 0 39 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.894 110.0 56.7 -68.0 -39.7 42.0 -9.8 49.2 236 29 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.936 108.1 48.2 -53.6 -46.0 39.2 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49.5 247 40 B P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.431 37.6-179.9 -77.4 159.1 22.1 -1.7 50.1 248 41 B S > - 0 0 18 -2,-0.1 3,-2.5 96,-0.1 93,-0.0 -0.965 43.7 -77.2-155.0 153.1 19.4 -3.8 48.5 249 42 B G G > S- 0 0 38 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 -0.284 116.7 -11.4 -57.7 122.0 15.6 -3.8 48.6 250 43 B N G 3 S- 0 0 78 1,-0.3 -1,-0.3 2,-0.1 72,-0.0 0.660 116.9 -79.9 58.7 21.1 14.5 -5.5 51.9 251 44 B N G < S+ 0 0 26 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.820 85.7 148.6 54.5 38.1 18.2 -6.6 52.3 252 45 B F < - 0 0 2 -3,-2.1 44,-0.1 43,-0.0 -2,-0.1 0.742 37.3-157.8 -74.1 -21.1 17.6 -9.5 49.9 253 46 B Q + 0 0 0 1,-0.2 -5,-0.1 -4,-0.2 -57,-0.0 0.911 15.7 179.5 49.0 57.4 21.2 -9.3 48.6 254 47 B P + 0 0 0 0, 0.0 37,-2.5 0, 0.0 -1,-0.2 0.361 35.0 121.0 -77.8 3.8 20.4 -11.0 45.3 255 48 B W E - J 0 290C 1 35,-0.2 2,-0.4 86,-0.1 35,-0.2 -0.453 37.9-175.5 -70.1 143.7 24.0 -10.8 44.0 256 49 B R E - J 0 289C 23 33,-2.3 33,-3.1 -2,-0.1 2,-0.4 -0.985 9.0-162.6-136.6 138.0 25.9 -13.9 43.0 257 50 B V E -hJ 202 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E H X S+ 0 0 89 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.904 107.2 48.9 -63.9 -41.9 41.4 -16.0 27.1 268 61 B D H X S+ 0 0 56 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.899 111.4 49.9 -59.8 -42.8 38.3 -18.1 26.4 269 62 B L H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.854 103.9 58.5 -67.2 -32.7 36.2 -15.3 28.0 270 63 B K H ><>S+ 0 0 52 -4,-2.3 5,-2.1 1,-0.2 3,-1.5 0.911 101.5 55.7 -62.3 -39.0 38.0 -12.7 25.9 271 64 B K H 3<5S+ 0 0 136 -4,-1.5 3,-0.4 1,-0.3 -1,-0.2 0.774 109.7 46.7 -61.2 -29.5 36.7 -14.6 22.8 272 65 B L T <<5S+ 0 0 43 -4,-0.8 95,-3.4 -3,-0.5 -1,-0.3 0.349 106.6 61.9 -91.4 2.0 33.2 -14.2 24.2 273 66 B A T X 5S- 0 0 0 -3,-1.5 3,-1.6 -4,-0.3 -1,-0.2 -0.182 123.5 -90.9-123.2 39.5 33.8 -10.5 25.0 274 67 B A T 3 5S- 0 0 78 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.780 75.8 -72.9 60.1 25.6 34.4 -9.0 21.5 275 68 B L T 3 > S+ 0 0 72 0, 0.0 3,-1.4 0, 0.0 4,-1.3 0.783 89.2 70.6 -66.1 -30.7 42.0 -7.2 25.8 278 71 B Q H 3> S+ 0 0 5 1,-0.3 4,-1.5 2,-0.2 111,-0.1 0.699 87.3 67.8 -58.7 -23.5 41.4 -6.3 29.4 279 72 B V H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 110,-0.1 0.888 109.4 35.5 -64.9 -36.1 39.5 -9.6 29.9 280 73 B A H <4 S+ 0 0 7 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.691 118.0 48.4 -92.7 -22.7 42.7 -11.6 29.5 281 74 B T H < S+ 0 0 36 -4,-1.3 -52,-0.2 -58,-0.1 -2,-0.2 0.664 87.8 106.9 -90.1 -21.5 45.3 -9.2 31.1 282 75 B A S < S- 0 0 0 -4,-1.5 108,-0.2 -5,-0.2 3,-0.1 -0.178 75.3-128.6 -58.2 149.5 43.2 -8.7 34.3 283 76 B S S S- 0 0 5 106,-1.3 -52,-0.3 1,-0.3 2,-0.3 0.804 92.1 -6.0 -67.9 -29.1 44.3 -10.3 37.6 284 77 B A E - K 0 389C 0 105,-1.8 105,-2.7 -23,-0.1 2,-0.6 -0.951 64.7-135.5-164.2 148.0 40.8 -11.7 37.9 285 78 B V E -JK 260 388C 0 -25,-2.4 -25,-3.0 -2,-0.3 2,-0.6 -0.961 19.0-153.9-113.5 113.1 37.5 -11.3 36.1 286 79 B F E -JK 259 387C 0 101,-2.6 101,-3.3 -2,-0.6 2,-0.6 -0.801 4.7-160.8 -87.2 121.9 34.5 -10.8 38.4 287 80 B L E -JK 258 386C 2 -29,-2.9 -29,-2.2 -2,-0.6 2,-0.5 -0.907 7.8-158.3-105.3 118.7 31.2 -12.0 36.9 288 81 B L E +JK 257 385C 2 97,-3.3 96,-2.9 -2,-0.6 97,-1.8 -0.873 15.4 175.0-104.2 123.1 28.2 -10.4 38.7 289 82 B F E -JK 256 383C 4 -33,-3.1 -33,-2.3 -2,-0.5 2,-0.4 -0.815 24.9-136.2-119.3 158.0 24.8 -12.2 38.4 290 83 B G E -JK 255 382C 0 92,-2.4 92,-3.1 -2,-0.3 2,-0.7 -0.977 16.0-144.9-111.4 135.4 21.4 -11.6 40.0 291 84 B D E > - K 0 381C 19 -37,-2.5 3,-2.1 -2,-0.4 4,-0.3 -0.870 5.6-161.8-101.0 111.0 19.5 -14.6 41.3 292 85 B E G > S+ 0 0 70 88,-1.7 3,-1.9 -2,-0.7 -1,-0.2 0.921 92.8 62.7 -58.9 -33.2 15.7 -14.3 40.9 293 86 B N G 3 S+ 0 0 124 87,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.599 81.9 82.3 -71.0 -3.7 15.3 -17.0 43.5 294 87 B A G < S+ 0 0 8 -3,-2.1 2,-1.9 1,-0.2 -1,-0.3 0.775 70.9 78.7 -65.8 -25.1 16.9 -14.7 46.0 295 88 B Y < + 0 0 19 -3,-1.9 2,-0.6 -4,-0.3 -1,-0.2 -0.266 66.3 143.3 -84.6 57.3 13.6 -13.0 46.6 296 89 B D > - 0 0 73 -2,-1.9 4,-2.1 -3,-0.2 5,-0.1 -0.848 42.1-158.3-101.5 115.9 12.5 -15.9 48.8 297 90 B L H > S+ 0 0 18 -2,-0.6 4,-1.7 1,-0.2 5,-0.1 0.707 90.5 57.2 -75.7 -17.1 10.4 -14.9 51.8 298 91 B T H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.933 109.9 44.7 -73.1 -48.1 11.2 -18.0 53.8 299 92 B W H > S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.929 111.1 56.1 -55.1 -46.1 14.9 -17.3 53.6 300 93 B W H X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.916 110.8 42.4 -57.7 -43.9 14.2 -13.6 54.4 301 94 B Q H X S+ 0 0 42 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.952 115.9 48.4 -67.9 -48.4 12.4 -14.4 57.7 302 95 B E H X S+ 0 0 125 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.926 113.7 46.7 -55.9 -49.8 14.9 -17.1 58.7 303 96 B F H X S+ 0 0 17 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.933 114.9 44.1 -60.4 -52.5 17.9 -14.9 58.1 304 97 B H H <>S+ 0 0 11 -4,-2.1 5,-2.4 -5,-0.3 6,-1.0 0.857 116.8 45.6 -68.2 -34.1 16.6 -11.8 59.8 305 98 B V H ><5S+ 0 0 50 -4,-2.6 3,-1.8 -5,-0.2 -2,-0.2 0.934 112.5 51.1 -71.7 -47.4 15.3 -13.7 62.8 306 99 B Q H 3<5S+ 0 0 89 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.826 108.1 52.9 -57.0 -34.5 18.5 -15.7 63.2 307 100 B K T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.402 115.7-117.2 -84.3 2.2 20.6 -12.5 63.0 308 101 B G T < 5S+ 0 0 45 -3,-1.8 297,-0.2 2,-0.2 -3,-0.2 0.708 79.9 123.2 70.8 23.9 18.5 -11.1 65.9 309 102 B I S - 0 0 90 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.324 36.0-107.6 -78.7 166.5 11.2 -11.4 66.0 312 105 B K H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.906 121.5 48.1 -59.0 -44.0 9.5 -14.4 64.4 313 106 B D H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 112.8 46.6 -62.2 -46.6 6.1 -12.6 64.7 314 107 B E H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 111.9 52.6 -64.0 -38.5 7.5 -9.4 63.2 315 108 B A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.858 107.3 51.0 -66.0 -38.5 9.2 -11.3 60.4 316 109 B A H X S+ 0 0 48 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.898 112.5 46.4 -67.2 -38.4 6.0 -13.1 59.4 317 110 B A H X S+ 0 0 60 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.902 112.8 48.8 -69.4 -42.6 4.0 -9.9 59.2 318 111 B R H X S+ 0 0 30 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.888 106.2 58.6 -65.8 -38.1 6.7 -8.1 57.2 319 112 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.890 103.2 51.4 -62.6 -38.5 6.9 -11.0 54.8 320 113 B E H X S+ 0 0 83 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 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