==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 01-NOV-11 3VK0 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR H.-C.WANG,T.-P.KO,M.-L.WU,H.-J.WU,S.-C.KU,A.H.-J.WANG . 264 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.5 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 2 0 1 1 6 1 0 3 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A K 0 0 221 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.1 7.6 49.2 28.5 2 6 A L - 0 0 59 25,-0.1 96,-0.5 1,-0.1 2,-0.2 -0.453 360.0-141.3 -69.0 122.3 4.1 50.0 30.0 3 7 A T - 0 0 59 -2,-0.3 94,-0.2 94,-0.1 93,-0.1 -0.573 4.4-137.8 -99.7 153.2 4.1 49.2 33.7 4 8 A L - 0 0 9 92,-2.9 2,-0.1 -2,-0.2 -1,-0.1 -0.395 44.8 -68.4 -93.5 171.2 1.4 47.6 35.8 5 9 A P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 89,-0.1 -0.406 38.8-143.8 -65.5 143.3 0.3 48.6 39.3 6 10 A A S S+ 0 0 51 87,-0.1 88,-2.8 -2,-0.1 2,-0.3 0.730 75.4 23.2 -79.4 -30.4 2.9 48.0 41.9 7 11 A E S S- 0 0 104 86,-0.2 86,-0.1 88,-0.0 -1,-0.1 -0.956 83.5 -98.6-138.6 155.7 0.6 46.9 44.8 8 12 A L - 0 0 43 84,-0.4 2,-0.1 -2,-0.3 9,-0.1 -0.518 47.5-119.3 -70.9 142.9 -2.8 45.6 45.4 9 13 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 72,-0.2 -0.479 26.3 -97.3 -83.6 155.8 -5.3 48.3 46.3 10 14 A D > - 0 0 101 1,-0.2 3,-0.7 -2,-0.1 7,-0.3 -0.607 35.3-140.1 -63.6 123.8 -7.3 48.7 49.6 11 15 A E T 3 S+ 0 0 80 -2,-0.4 -1,-0.2 1,-0.3 6,-0.0 0.725 101.8 52.6 -67.7 -23.3 -10.7 47.1 48.5 12 16 A Q T 3 S+ 0 0 162 1,-0.1 2,-1.3 5,-0.0 -1,-0.3 0.786 89.7 83.9 -76.8 -31.9 -12.6 49.7 50.4 13 17 A D <> - 0 0 67 -3,-0.7 4,-2.6 1,-0.2 3,-0.3 -0.611 61.4-173.5 -76.7 91.1 -10.6 52.6 48.7 14 18 A L H > S+ 0 0 95 -2,-1.3 4,-2.9 1,-0.3 5,-0.2 0.844 82.8 53.6 -62.3 -37.9 -12.7 52.9 45.5 15 19 A R H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.903 110.9 46.8 -57.1 -43.9 -10.4 55.4 44.0 16 20 A A H > S+ 0 0 8 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.899 112.9 49.9 -63.5 -43.3 -7.5 53.0 44.6 17 21 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.3 -2,-0.2 0.945 112.9 46.6 -60.8 -48.7 -9.5 50.1 43.1 18 22 A L H X S+ 0 0 7 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.912 111.5 51.0 -57.6 -45.1 -10.4 52.1 40.0 19 23 A A H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.894 111.1 48.3 -63.6 -39.5 -6.9 53.3 39.5 20 24 A Y H X S+ 0 0 16 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.949 115.7 44.2 -62.1 -52.0 -5.5 49.7 39.7 21 25 A N H X S+ 0 0 0 -4,-2.4 4,-2.8 55,-0.3 5,-0.3 0.908 110.4 52.6 -64.9 -45.7 -8.1 48.4 37.3 22 26 A M H X S+ 0 0 0 -4,-3.4 4,-2.2 54,-0.2 -1,-0.2 0.893 114.4 43.9 -54.1 -45.4 -7.8 51.3 34.8 23 27 A R H X S+ 0 0 70 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.941 113.3 50.5 -70.2 -47.5 -4.0 50.7 34.6 24 28 A L H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.967 116.3 41.1 -52.6 -53.4 -4.4 46.9 34.4 25 29 A F H X S+ 0 0 6 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.866 115.1 49.0 -66.5 -40.1 -6.9 47.0 31.5 26 30 A R H <>S+ 0 0 10 -4,-2.2 5,-2.7 -5,-0.3 3,-0.4 0.916 110.9 50.9 -68.2 -39.5 -5.2 49.8 29.6 27 31 A V H ><5S+ 0 0 10 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.907 105.7 56.3 -63.4 -35.7 -1.9 48.0 29.9 28 32 A N H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.802 107.8 50.0 -62.1 -29.8 -3.5 44.8 28.6 29 33 A K T 3<5S- 0 0 96 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.455 118.5-111.0 -85.7 -0.8 -4.6 46.9 25.6 30 34 A G T < 5S+ 0 0 56 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.746 71.1 145.1 77.1 23.9 -1.1 48.3 24.9 31 35 A W < - 0 0 35 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.856 42.2-148.6-107.2 128.2 -2.3 51.8 25.9 32 36 A S > - 0 0 41 -2,-0.5 4,-2.5 -3,-0.1 5,-0.2 -0.229 39.3-101.0 -65.8 171.4 -0.5 54.5 27.8 33 37 A Q H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 126.9 52.5 -57.9 -46.0 -2.4 56.9 30.1 34 38 A E H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 109.2 48.5 -58.2 -47.9 -2.3 59.5 27.3 35 39 A E H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 109.8 51.4 -58.8 -47.1 -3.8 56.9 24.8 36 40 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 6,-0.2 0.929 110.4 50.5 -56.1 -42.8 -6.6 55.9 27.2 37 41 A A H X>S+ 0 0 1 -4,-2.5 5,-2.6 1,-0.2 4,-0.8 0.953 110.2 48.1 -63.2 -49.8 -7.4 59.6 27.7 38 42 A R H ><5S+ 0 0 169 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.866 108.9 55.4 -53.8 -39.3 -7.6 60.1 23.9 39 43 A Q H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.2 38.3 -65.3 -32.7 -9.8 57.0 23.6 40 44 A C H 3<5S- 0 0 12 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.397 111.1-115.4 -94.9 -4.3 -12.3 58.4 26.1 41 45 A G T <<5S+ 0 0 67 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.820 72.7 134.5 69.1 32.0 -12.1 62.0 24.9 42 46 A L < - 0 0 30 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.827 65.5 -94.4-111.5 153.1 -10.6 63.0 28.3 43 47 A D > - 0 0 100 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.424 29.0-135.5 -60.4 130.5 -7.7 65.3 29.1 44 48 A R H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 106.6 55.7 -60.6 -38.4 -4.5 63.2 29.6 45 49 A T H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 108.2 49.8 -55.7 -42.9 -3.6 65.2 32.7 46 50 A Y H > S+ 0 0 52 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 111.8 46.8 -65.2 -44.1 -7.0 64.2 34.2 47 51 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.925 111.4 51.0 -64.2 -45.6 -6.6 60.5 33.4 48 52 A S H < S+ 0 0 15 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.907 111.5 48.3 -59.2 -37.9 -3.1 60.5 34.9 49 53 A A H ><>S+ 0 0 7 -4,-2.0 5,-3.1 -5,-0.2 3,-0.7 0.832 105.8 57.5 -74.1 -33.3 -4.4 62.2 38.1 50 54 A V H ><5S+ 0 0 4 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.923 103.5 54.2 -59.7 -41.4 -7.3 59.6 38.3 51 55 A E T 3<5S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.624 106.9 50.5 -68.6 -13.8 -4.7 56.9 38.4 52 56 A R T < 5S- 0 0 135 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.191 120.9-113.6-102.8 11.3 -3.1 58.7 41.3 53 57 A K T < 5S+ 0 0 99 -3,-2.0 -3,-0.2 -38,-0.2 -2,-0.1 0.752 75.4 133.1 68.9 30.3 -6.5 58.8 43.0 54 58 A R < + 0 0 170 -5,-3.1 2,-0.4 -8,-0.1 -4,-0.2 0.640 50.6 65.8 -89.2 -14.4 -6.9 62.6 42.8 55 59 A W - 0 0 132 -6,-0.3 2,-2.3 -5,-0.1 -1,-0.1 -0.936 67.9-137.1-127.6 136.9 -10.4 63.0 41.4 56 60 A N - 0 0 138 -2,-0.4 -6,-0.0 -3,-0.0 -2,-0.0 -0.501 46.4-153.1 -77.0 68.1 -14.0 62.3 42.6 57 61 A I - 0 0 26 -2,-2.3 2,-0.2 1,-0.1 -42,-0.0 -0.051 4.4-123.9 -58.0 143.3 -14.7 60.9 39.1 58 62 A A >> - 0 0 48 1,-0.1 4,-1.8 4,-0.0 3,-1.1 -0.571 21.8-111.3 -85.3 156.3 -18.3 61.1 37.8 59 63 A L H 3> S+ 0 0 134 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.864 114.4 61.0 -51.1 -38.8 -20.3 58.1 36.6 60 64 A S H 3> S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.841 105.9 46.8 -62.7 -33.8 -20.2 59.3 32.9 61 65 A N H <> S+ 0 0 25 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.856 109.2 52.9 -80.5 -33.7 -16.4 59.2 32.9 62 66 A I H X S+ 0 0 17 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.941 110.2 50.6 -52.6 -46.0 -16.4 55.7 34.4 63 67 A E H X S+ 0 0 129 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.892 109.7 49.3 -65.5 -42.0 -18.7 54.7 31.7 64 68 A K H X S+ 0 0 101 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.897 111.8 47.1 -67.3 -41.7 -16.5 56.2 28.9 65 69 A M H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.938 113.0 50.2 -64.5 -41.9 -13.3 54.5 30.2 66 70 A A H X>S+ 0 0 3 -4,-2.6 5,-2.2 2,-0.2 4,-0.8 0.941 111.2 48.3 -62.6 -44.6 -15.2 51.2 30.5 67 71 A A H ><5S+ 0 0 77 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.929 113.8 46.7 -60.5 -44.1 -16.5 51.5 26.9 68 72 A A H 3<5S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 114.9 46.8 -65.4 -40.1 -13.0 52.4 25.6 69 73 A L H 3<5S- 0 0 10 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.537 110.4-123.9 -76.0 -7.0 -11.4 49.5 27.6 70 74 A G T <<5S+ 0 0 64 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.2 0.830 70.2 118.2 62.5 36.6 -14.2 47.0 26.4 71 75 A V S > - 0 0 47 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.489 39.0-119.7 -60.8 136.1 -18.5 46.3 31.9 73 77 A A H >> S+ 0 0 43 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.861 111.8 61.7 -47.7 -40.3 -18.4 49.5 34.1 74 78 A Y H >4 S+ 0 0 158 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.805 91.3 66.6 -65.3 -23.3 -18.7 47.4 37.2 75 79 A Q H X4 S+ 0 0 17 -3,-1.7 3,-0.6 1,-0.2 -1,-0.3 0.806 92.6 62.4 -65.9 -27.1 -15.4 45.6 36.5 76 80 A L H << S+ 0 0 0 -3,-1.5 -55,-0.3 -4,-0.6 -1,-0.2 0.796 110.1 39.1 -67.8 -24.5 -13.6 49.0 37.0 77 81 A L T << S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.343 91.6 104.6-101.8 0.8 -14.9 49.0 40.7 78 82 A L S < S- 0 0 30 -3,-0.6 5,-0.1 -4,-0.4 -57,-0.0 -0.748 79.0-118.7 -86.4 119.6 -14.4 45.3 41.3 79 83 A P >> - 0 0 19 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.338 13.2-129.0 -60.9 138.7 -11.3 44.8 43.4 80 84 A P H 3> S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.823 108.9 59.3 -59.1 -31.5 -8.6 42.7 41.6 81 85 A Q H 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.900 109.4 43.0 -60.3 -41.6 -8.4 40.4 44.7 82 86 A E H <> S+ 0 0 70 -3,-0.6 4,-3.0 2,-0.2 5,-0.2 0.917 112.3 52.5 -71.0 -46.9 -12.0 39.6 44.3 83 87 A R H X S+ 0 0 11 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.945 113.3 44.5 -52.9 -49.3 -11.7 39.2 40.5 84 88 A L H X S+ 0 0 15 -4,-2.9 4,-1.9 2,-0.2 5,-0.3 0.922 111.3 54.0 -63.4 -43.0 -8.8 36.8 41.0 85 89 A K H X S+ 0 0 124 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.923 115.1 39.7 -56.7 -49.2 -10.7 35.0 43.8 86 90 A L H < S+ 0 0 113 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.939 117.8 50.0 -61.0 -49.7 -13.7 34.5 41.4 87 91 A M H < S+ 0 0 47 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.641 129.9 14.2 -63.3 -28.7 -11.5 33.7 38.3 88 92 A T H < 0 0 25 -4,-1.9 74,-0.4 -3,-0.2 -1,-0.2 0.338 360.0 360.0-138.8 1.4 -9.2 31.1 39.9 89 93 A N < 0 0 146 -4,-1.4 -4,-0.1 -5,-0.3 72,-0.1 -0.432 360.0 360.0-156.3 360.0 -10.9 30.0 43.2 90 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 5 B K 0 0 222 0, 0.0 26,-0.0 0, 0.0 -85,-0.0 0.000 360.0 360.0 360.0-106.9 2.9 46.1 50.7 92 6 B L - 0 0 59 25,-0.1 2,-0.4 1,-0.1 -84,-0.4 -0.281 360.0-108.4 -59.7 147.6 4.4 43.2 48.6 93 7 B T - 0 0 75 -86,-0.1 -86,-0.2 1,-0.0 24,-0.1 -0.692 25.6-148.4 -95.5 128.5 5.3 44.1 45.0 94 8 B L - 0 0 5 -88,-2.8 -90,-0.1 -2,-0.4 20,-0.1 -0.369 43.2 -70.6 -85.7 164.6 3.3 42.9 42.0 95 9 B P - 0 0 13 0, 0.0 -1,-0.2 0, 0.0 -91,-0.2 -0.265 40.0-145.5 -60.1 145.5 4.8 42.1 38.6 96 10 B A S S+ 0 0 58 -93,-0.1 -92,-2.9 -3,-0.1 2,-0.3 0.820 73.3 24.5 -83.6 -35.1 5.9 45.3 36.8 97 11 B E S S- 0 0 111 -94,-0.2 -94,-0.1 -92,-0.0 -1,-0.1 -0.906 82.5-102.5-128.5 159.5 5.1 44.3 33.2 98 12 B L - 0 0 34 -96,-0.5 2,-0.1 -2,-0.3 9,-0.1 -0.625 47.4-113.1 -73.7 136.9 2.8 42.0 31.3 99 13 B P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 72,-0.2 -0.407 24.2-107.8 -72.6 147.6 4.7 38.9 30.1 100 14 B D > - 0 0 99 1,-0.1 3,-2.0 -2,-0.1 7,-0.3 -0.601 28.9-138.6 -62.6 124.1 5.3 38.3 26.4 101 15 B E T 3 S+ 0 0 47 -2,-0.3 151,-0.5 1,-0.3 -1,-0.1 0.772 101.9 61.2 -65.3 -22.9 2.8 35.3 25.8 102 16 B Q T 3 S+ 0 0 126 1,-0.1 2,-0.6 148,-0.1 149,-0.3 0.442 92.1 75.7 -78.1 -4.8 5.5 33.7 23.6 103 17 B D <> - 0 0 53 -3,-2.0 4,-1.8 1,-0.2 5,-0.1 -0.914 59.6-175.7-114.0 102.5 7.9 33.5 26.7 104 18 B L H > S+ 0 0 0 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.834 81.2 57.3 -72.9 -34.7 6.7 30.8 29.0 105 19 B R H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 109.1 47.5 -59.9 -39.1 9.3 31.5 31.7 106 20 B A H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.894 109.4 53.1 -69.7 -40.2 8.0 35.1 31.9 107 21 B V H X S+ 0 0 0 -4,-1.8 4,-2.2 -7,-0.3 5,-0.2 0.934 112.2 45.7 -57.4 -46.8 4.3 33.9 32.1 108 22 B L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.928 111.4 51.2 -63.1 -43.9 5.2 31.6 34.9 109 23 B A H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.918 111.3 49.1 -65.0 -36.7 7.1 34.3 36.7 110 24 B Y H X S+ 0 0 15 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.967 114.1 44.1 -62.6 -54.8 4.1 36.8 36.4 111 25 B N H X S+ 0 0 0 -4,-2.2 4,-2.8 55,-0.3 5,-0.4 0.896 110.5 55.2 -61.5 -41.8 1.6 34.3 37.7 112 26 B M H X S+ 0 0 0 -4,-2.8 4,-2.5 54,-0.2 -1,-0.2 0.969 113.7 40.2 -52.9 -51.8 3.8 33.1 40.5 113 27 B R H X S+ 0 0 47 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.926 114.6 53.9 -68.5 -42.0 4.3 36.7 41.9 114 28 B L H X S+ 0 0 11 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.957 114.7 38.0 -56.5 -53.4 0.6 37.6 41.2 115 29 B F H X S+ 0 0 8 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.870 115.5 54.3 -71.2 -33.9 -0.8 34.7 43.2 116 30 B R H ><>S+ 0 0 7 -4,-2.5 5,-2.5 -5,-0.4 3,-0.9 0.977 110.6 44.9 -60.5 -53.0 1.9 34.9 45.9 117 31 B V H ><5S+ 0 0 11 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.918 108.3 58.8 -58.7 -44.7 1.2 38.6 46.6 118 32 B N H 3<5S+ 0 0 45 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.771 107.6 46.4 -53.8 -30.3 -2.6 37.9 46.6 119 33 B K T <<5S- 0 0 105 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.457 118.9-112.9 -87.4 -2.2 -2.0 35.4 49.4 120 34 B G T < 5 + 0 0 53 -3,-1.9 2,-0.4 -4,-0.5 -3,-0.2 0.777 67.5 147.8 74.0 29.7 0.2 37.9 51.3 121 35 B W < - 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0 0 56 -3,-1.8 4,-2.0 1,-0.2 3,-0.5 -0.819 62.5-173.9-102.2 95.5 -1.7 16.3 35.7 192 18 C L H > S+ 0 0 0 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.823 82.4 57.9 -65.8 -28.8 0.5 18.6 33.6 193 19 C R H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 108.3 46.7 -59.4 -39.7 2.3 15.6 32.0 194 20 C A H > S+ 0 0 10 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.865 111.8 51.4 -71.6 -35.6 -1.1 14.3 30.7 195 21 C V H X S+ 0 0 0 -4,-2.0 4,-2.3 -7,-0.3 5,-0.2 0.969 112.7 45.8 -66.0 -48.9 -2.0 17.9 29.5 196 22 C L H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.916 111.6 51.1 -57.3 -50.4 1.3 18.1 27.6 197 23 C A H X S+ 0 0 10 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.910 110.7 49.6 -56.1 -44.0 0.9 14.6 26.1 198 24 C Y H X S+ 0 0 42 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.953 114.3 44.0 -58.2 -52.9 -2.6 15.4 24.9 199 25 C N H X S+ 0 0 0 -4,-2.3 4,-3.0 55,-0.3 5,-0.3 0.888 109.7 55.2 -64.0 -40.2 -1.5 18.7 23.2 200 26 C M H X S+ 0 0 0 -4,-2.9 4,-2.6 54,-0.2 5,-0.2 0.945 114.2 41.9 -53.3 -49.0 1.7 17.2 21.7 201 27 C R H X S+ 0 0 76 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.933 113.9 50.9 -67.3 -47.6 -0.5 14.6 20.0 202 28 C L H X S+ 0 0 37 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.945 116.7 40.5 -54.6 -51.2 -3.3 17.0 19.0 203 29 C F H X S+ 0 0 36 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.877 114.9 49.4 -73.8 -35.9 -0.9 19.5 17.4 204 30 C R H >X>S+ 0 0 9 -4,-2.6 5,-2.9 -5,-0.3 3,-0.7 0.926 109.6 52.0 -69.8 -35.9 1.4 17.0 15.7 205 31 C V H ><5S+ 0 0 24 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.916 105.3 56.7 -68.1 -37.8 -1.5 15.0 14.2 206 32 C N H 3<5S+ 0 0 122 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.782 108.7 46.6 -58.3 -30.8 -2.8 18.3 12.8 207 33 C K H <<5S- 0 0 105 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.482 119.1-112.9 -84.9 -8.5 0.6 18.8 11.0 208 34 C G T <<5 + 0 0 51 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.711 68.2 149.4 80.2 25.5 0.5 15.2 9.8 209 35 C W < - 0 0 36 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.779 39.6-149.1-101.0 131.6 3.4 14.3 12.0 210 36 C S > - 0 0 49 -2,-0.4 4,-2.8 -3,-0.1 5,-0.2 -0.412 40.5-100.1 -74.7 163.9 4.2 11.0 13.7 211 37 C Q H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.900 127.6 54.2 -46.6 -45.9 6.1 11.0 17.0 212 38 C E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 109.0 46.2 -57.6 -47.1 9.2 10.2 14.9 213 39 C E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 110.8 51.8 -66.6 -40.6 8.7 13.2 12.7 214 40 C L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 6,-0.2 0.955 107.9 53.9 -60.9 -44.5 8.0 15.5 15.6 215 41 C A H >X>S+ 0 0 3 -4,-2.6 5,-1.9 1,-0.2 4,-1.0 0.938 111.5 44.2 -54.7 -50.5 11.3 14.3 17.2 216 42 C R H 3<5S+ 0 0 147 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.878 111.1 54.7 -60.6 -37.9 13.3 15.2 14.1 217 43 C Q H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.775 118.6 33.3 -71.7 -25.5 11.5 18.5 13.7 218 44 C C H <<5S- 0 0 15 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.376 108.7-117.2-112.1 3.4 12.4 19.6 17.2 219 45 C G T <5S+ 0 0 65 -4,-1.0 2,-0.3 -3,-0.4 -3,-0.2 0.784 71.5 127.4 68.9 27.3 15.8 17.9 17.5 220 46 C L < - 0 0 22 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.838 68.7 -93.1-108.6 155.3 14.8 15.6 20.3 221 47 C D > - 0 0 125 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.406 28.8-130.7 -65.0 140.5 15.3 11.7 20.3 222 48 C R H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 107.3 54.1 -63.5 -35.8 12.2 9.8 19.1 223 49 C T H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 108.9 51.2 -68.4 -33.9 12.2 7.4 22.0 224 50 C Y H > S+ 0 0 47 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.915 110.3 47.4 -64.5 -43.9 12.2 10.5 24.4 225 51 C V H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.923 112.1 51.2 -66.3 -39.5 9.2 12.1 22.5 226 52 C S H X S+ 0 0 26 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.904 110.7 47.6 -62.6 -43.1 7.4 8.8 22.6 227 53 C A H <>S+ 0 0 10 -4,-1.9 5,-2.6 2,-0.2 6,-0.2 0.837 108.5 54.9 -69.0 -36.8 8.0 8.4 26.4 228 54 C V H ><5S+ 0 0 4 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.917 105.1 53.6 -60.9 -44.0 6.8 12.1 27.0 229 55 C E H 3<5S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.4 51.6 -60.5 -23.2 3.6 11.2 25.2 230 56 C R T 3<5S- 0 0 125 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.275 119.3-114.7 -95.8 14.2 3.4 8.3 27.7 231 57 C K T < 5S+ 0 0 100 -3,-2.2 -3,-0.2 -38,-0.2 -2,-0.1 0.785 73.9 134.4 64.4 31.9 3.9 10.8 30.6 232 58 C R < + 0 0 169 -5,-2.6 2,-0.4 -8,-0.1 -4,-0.2 0.682 50.7 67.0 -86.2 -16.3 7.3 9.2 31.6 233 59 C W - 0 0 133 -6,-0.2 2,-2.0 -9,-0.1 -1,-0.1 -0.909 67.9-139.7-123.2 132.8 9.3 12.4 32.1 234 60 C N - 0 0 71 -2,-0.4 -6,-0.0 -86,-0.1 -2,-0.0 -0.541 47.7-164.5 -71.7 68.4 9.4 15.3 34.5 235 61 C I - 0 0 3 -2,-2.0 -86,-2.0 -87,-0.1 2,-0.2 -0.229 8.7-132.6 -70.0 145.0 10.1 17.5 31.5 236 62 C A B >> -A 148 0A 20 -88,-0.2 4,-1.6 -87,-0.1 3,-1.3 -0.640 25.9-104.7 -98.2 159.5 11.5 21.1 31.8 237 63 C L H 3> S+ 0 0 0 -90,-2.3 4,-3.0 1,-0.3 5,-0.2 0.853 115.2 66.3 -50.8 -39.4 10.3 24.2 30.1 238 64 C S H 3> S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.885 104.9 40.2 -47.8 -50.3 13.3 24.1 27.8 239 65 C N H <> S+ 0 0 38 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.842 112.2 55.9 -74.4 -33.1 12.2 21.0 26.0 240 66 C I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.928 107.6 51.2 -59.4 -44.1 8.5 22.0 25.9 241 67 C E H X S+ 0 0 57 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.880 106.6 52.8 -63.7 -37.9 9.7 25.2 24.2 242 68 C K H X S+ 0 0 99 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.920 112.2 45.9 -60.6 -44.3 11.7 23.2 21.6 243 69 C M H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 112.0 50.4 -67.2 -41.4 8.5 21.2 20.8 244 70 C A H X>S+ 0 0 1 -4,-2.8 5,-2.4 2,-0.2 4,-0.9 0.907 109.4 51.0 -60.9 -44.3 6.3 24.3 20.6 245 71 C A H <5S+ 0 0 80 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.912 112.0 47.3 -59.7 -44.1 8.7 26.0 18.2 246 72 C A H <5S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.911 113.8 47.5 -64.5 -39.6 8.7 23.0 16.0 247 73 C L H <5S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.548 111.3-121.4 -77.2 -10.9 4.9 22.7 16.1 248 74 C G T <5S+ 0 0 63 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.810 72.4 119.1 75.4 30.4 4.5 26.4 15.4 249 75 C V S > - 0 0 11 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.438 40.5-117.2 -63.0 142.3 3.3 29.5 21.5 251 77 C A H >> S+ 0 0 6 -149,-0.3 3,-1.4 1,-0.3 4,-0.5 0.842 110.8 65.4 -55.7 -35.4 4.9 27.3 24.3 252 78 C Y H >4 S+ 0 0 21 -151,-0.5 3,-0.9 1,-0.2 4,-0.4 0.782 90.6 66.0 -58.9 -26.6 2.0 28.1 26.7 253 79 C Q H X4 S+ 0 0 38 -3,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.793 91.3 62.3 -67.0 -28.5 -0.4 26.2 24.4 254 80 C L H << S+ 0 0 0 -3,-1.4 -55,-0.3 -4,-0.5 -1,-0.2 0.789 112.4 37.1 -65.5 -24.9 1.4 22.9 25.1 255 81 C L T << S+ 0 0 1 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.274 90.9 105.8-109.4 4.6 0.4 23.2 28.8 256 82 C L S < S- 0 0 5 -3,-0.5 5,-0.1 -4,-0.4 -91,-0.0 -0.778 76.4-122.6 -84.7 119.4 -3.1 24.7 28.2 257 83 C P >> - 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.294 15.1-125.2 -64.5 145.9 -5.6 22.0 29.0 258 84 C P H 3> S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.833 112.0 60.0 -63.3 -27.0 -8.0 21.4 26.0 259 85 C Q H 3> S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.892 109.5 42.7 -62.6 -38.2 -10.9 22.0 28.3 260 86 C E H <> S+ 0 0 7 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.902 108.8 57.3 -76.6 -38.3 -9.6 25.6 28.9 261 87 C R H X S+ 0 0 41 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.909 108.9 47.6 -55.8 -41.6 -8.6 26.1 25.2 262 88 C L H X S+ 0 0 103 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 107.9 53.9 -68.6 -39.1 -12.3 25.4 24.4 263 89 C K H < S+ 0 0 118 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.4 52.0 -59.4 -35.9 -13.5 27.8 27.1 264 90 C L H < S+ 0 0 39 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.771 110.2 46.8 -72.3 -31.4 -11.3 30.4 25.5 265 91 C M H < 0 0 143 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.974 360.0 360.0 -68.0 -68.4 -12.8 29.8 22.0 266 92 C T < 0 0 135 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.640 360.0 360.0 -45.7 360.0 -16.4 29.9 23.3