==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 25-SEP-00 1FWZ . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR E.POHL,J.GORANSON-SIEKIERKE,R.K.HOLMES,W.G.J.HOL . 211 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 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 . 21 10.0 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.8 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 1 0 2 0 2 0 1 0 0 1 0 1 0 0 0 0 0 0 0 1 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 . 6 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 4 A L 0 0 166 0, 0.0 2,-0.2 0, 0.0 104,-0.0 0.000 360.0 360.0 360.0 169.6 -4.7 51.0 36.7 2 5 A V - 0 0 103 4,-0.0 2,-0.4 102,-0.0 98,-0.1 -0.326 360.0-174.1 -58.8 119.3 -6.4 53.8 38.8 3 6 A D > - 0 0 76 -2,-0.2 4,-1.1 1,-0.1 5,-0.0 -0.933 29.0-157.0-124.0 138.7 -8.6 52.6 41.6 4 7 A T H > S+ 0 0 60 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.895 102.5 53.5 -70.3 -46.3 -10.9 54.5 44.0 5 8 A T H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.957 109.5 48.6 -53.3 -49.4 -10.7 51.6 46.4 6 9 A E H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.818 111.2 51.2 -60.9 -33.3 -6.9 51.9 46.3 7 10 A M H X S+ 0 0 53 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.877 110.9 45.9 -72.6 -40.1 -7.1 55.6 46.8 8 11 A Y H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 3,-0.3 0.949 112.6 51.7 -66.6 -44.8 -9.4 55.3 49.9 9 12 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.856 109.2 48.5 -60.6 -40.2 -7.1 52.6 51.3 10 13 A R H X S+ 0 0 5 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.809 109.9 54.2 -73.0 -25.5 -3.9 54.6 50.9 11 14 A T H X S+ 0 0 3 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.950 109.4 45.8 -70.9 -47.9 -5.7 57.6 52.6 12 15 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.910 111.9 53.6 -59.0 -42.2 -6.6 55.6 55.6 13 16 A Y H X S+ 0 0 43 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.902 109.3 49.2 -59.3 -43.9 -3.1 54.2 55.7 14 17 A E H X S+ 0 0 37 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.940 112.2 44.7 -60.6 -57.4 -1.7 57.8 55.6 15 18 A L H >X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-2.1 0.973 113.9 50.7 -52.1 -59.6 -3.8 59.2 58.5 16 19 A E H ><5S+ 0 0 63 -4,-2.5 3,-0.8 1,-0.3 -2,-0.2 0.925 112.4 46.9 -43.2 -53.3 -3.2 56.1 60.5 17 20 A A H 3<5S+ 0 0 73 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.770 111.3 51.9 -61.6 -29.7 0.5 56.5 59.9 18 21 A E H <<5S- 0 0 99 -4,-2.0 -1,-0.3 -3,-0.9 -2,-0.2 0.731 120.9-109.4 -78.6 -23.1 0.3 60.2 60.8 19 22 A G T <<5S+ 0 0 68 -4,-2.1 2,-0.3 -3,-0.8 -3,-0.2 0.640 76.5 131.2 101.8 16.6 -1.5 59.4 64.0 20 23 A V < - 0 0 40 -5,-2.3 -1,-0.4 -6,-0.2 -2,-0.1 -0.778 64.2-107.2-100.8 146.8 -4.8 60.7 62.9 21 24 A T - 0 0 72 -2,-0.3 2,-2.9 1,-0.1 5,-0.2 -0.633 31.8-114.3 -76.1 131.1 -8.0 58.5 63.4 22 25 A P + 0 0 13 0, 0.0 37,-3.1 0, 0.0 2,-0.3 -0.306 54.8 163.3 -63.8 64.9 -9.4 57.1 60.2 23 26 A L >> - 0 0 68 -2,-2.9 4,-2.0 35,-0.2 3,-0.6 -0.649 47.9-123.5 -87.3 150.5 -12.6 59.1 60.3 24 27 A R H 3> S+ 0 0 92 33,-0.4 4,-2.5 -2,-0.3 5,-0.1 0.795 110.9 55.7 -62.1 -28.1 -14.8 59.5 57.1 25 28 A A H 3> S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.842 107.6 46.8 -74.1 -33.3 -14.6 63.3 57.4 26 29 A R H <> S+ 0 0 73 -3,-0.6 4,-3.0 2,-0.2 -2,-0.2 0.862 114.6 48.0 -74.3 -38.5 -10.8 63.4 57.4 27 30 A I H X S+ 0 0 1 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.986 111.4 49.6 -62.9 -55.1 -10.7 61.0 54.5 28 31 A A H X>S+ 0 0 9 -4,-2.5 5,-2.8 2,-0.2 4,-0.8 0.880 114.7 45.9 -49.0 -47.4 -13.3 63.1 52.6 29 32 A E H ><5S+ 0 0 130 -4,-2.0 3,-1.7 3,-0.2 -1,-0.2 0.991 115.2 44.5 -60.8 -61.6 -11.3 66.2 53.3 30 33 A R H 3<5S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.895 118.8 44.2 -49.5 -46.2 -8.0 64.7 52.3 31 34 A L H 3<5S- 0 0 16 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.556 106.5-129.9 -75.0 -13.2 -9.5 63.1 49.2 32 35 A E T <<5 + 0 0 175 -3,-1.7 2,-0.3 -4,-0.8 -3,-0.2 0.981 64.2 134.0 56.3 54.0 -11.4 66.3 48.4 33 36 A Q < - 0 0 72 -5,-2.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.950 60.9-101.9-130.6 149.7 -14.5 64.3 48.1 34 37 A S > - 0 0 65 -2,-0.3 4,-1.5 -3,-0.1 3,-0.1 -0.189 31.9-111.1 -66.0 167.9 -17.9 65.1 49.6 35 38 A G H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.967 114.9 50.9 -65.8 -54.1 -19.2 63.3 52.7 36 39 A P H > S+ 0 0 101 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.726 107.3 54.8 -54.2 -32.8 -22.0 61.4 51.0 37 40 A T H > S+ 0 0 49 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.921 106.7 50.6 -71.6 -42.9 -19.6 60.0 48.3 38 41 A V H X S+ 0 0 2 -4,-1.5 4,-3.7 -3,-0.3 5,-0.2 0.926 111.3 45.8 -63.1 -45.1 -17.2 58.6 50.9 39 42 A S H X S+ 0 0 51 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.889 113.3 53.2 -64.2 -34.7 -19.9 56.7 52.8 40 43 A Q H X S+ 0 0 124 -4,-1.3 4,-1.1 -5,-0.2 -2,-0.2 0.975 115.4 38.5 -61.4 -52.0 -21.1 55.6 49.4 41 44 A T H X S+ 0 0 5 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.888 116.2 51.6 -67.4 -37.1 -17.6 54.3 48.5 42 45 A V H X S+ 0 0 2 -4,-3.7 4,-2.0 1,-0.2 -1,-0.2 0.867 103.9 57.3 -68.6 -36.8 -16.9 53.0 52.1 43 46 A A H X S+ 0 0 33 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.846 108.6 48.8 -61.1 -33.9 -20.2 51.0 52.1 44 47 A R H X S+ 0 0 72 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.967 108.6 51.3 -69.7 -53.0 -18.9 49.3 49.0 45 48 A M H <>S+ 0 0 1 -4,-2.4 5,-3.2 1,-0.2 6,-0.8 0.777 107.3 54.6 -55.7 -31.8 -15.4 48.6 50.5 46 49 A E H ><5S+ 0 0 77 -4,-2.0 3,-1.9 3,-0.2 -1,-0.2 0.954 106.9 49.6 -66.3 -49.2 -17.1 47.0 53.5 47 50 A R H 3<5S+ 0 0 178 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.824 109.8 52.4 -58.4 -30.3 -19.1 44.7 51.3 48 51 A D T 3<5S- 0 0 99 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.576 117.0-118.9 -80.2 -13.1 -15.8 43.8 49.6 49 52 A G T < 5S+ 0 0 34 -3,-1.9 16,-0.4 -4,-0.3 15,-0.3 0.817 82.0 117.6 77.7 34.4 -14.4 43.0 53.0 50 53 A L S - 0 0 18 4,-3.1 3,-2.6 -2,-0.7 -1,-0.0 -0.332 28.8 -92.2 -82.5 167.4 -16.2 50.7 63.9 55 58 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.821 128.3 52.2 -41.3 -48.1 -18.5 51.9 66.7 56 59 A D T 3 S- 0 0 95 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.110 119.7-113.6 -81.2 21.1 -16.8 55.3 66.9 57 60 A R S < S+ 0 0 34 -3,-2.6 -33,-0.4 1,-0.2 -2,-0.2 0.271 74.3 133.5 66.8 -10.3 -17.3 55.5 63.1 58 61 A S - 0 0 11 -35,-0.1 -4,-3.1 -5,-0.1 2,-0.5 -0.360 59.7-110.1 -70.2 156.2 -13.6 55.3 62.4 59 62 A L E -A 53 0A 1 -37,-3.1 2,-0.6 -6,-0.2 -6,-0.2 -0.748 25.8-165.2 -96.2 125.9 -12.5 53.0 59.6 60 63 A Q E -A 52 0A 108 -8,-3.0 -8,-1.7 -2,-0.5 2,-0.2 -0.944 17.2-137.6-111.4 116.1 -10.6 49.8 60.3 61 64 A M E -A 51 0A 14 -2,-0.6 -10,-0.3 -10,-0.2 -11,-0.1 -0.526 18.6-131.3 -74.1 134.1 -8.9 48.2 57.4 62 65 A T > - 0 0 33 -12,-1.1 4,-2.5 -2,-0.2 5,-0.2 -0.222 34.9 -95.2 -72.8 171.7 -9.3 44.4 57.4 63 66 A P H > S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.907 128.0 50.7 -58.1 -37.9 -6.1 42.4 56.8 64 67 A T H > S+ 0 0 92 -15,-0.3 4,-2.0 2,-0.2 5,-0.1 0.922 111.8 44.8 -64.9 -48.7 -6.9 42.2 53.1 65 68 A G H > S+ 0 0 0 -16,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.861 112.0 54.5 -65.1 -32.7 -7.5 45.9 52.8 66 69 A R H X S+ 0 0 87 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.883 106.9 50.2 -68.7 -37.1 -4.3 46.6 54.8 67 70 A T H X S+ 0 0 92 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.941 113.8 45.2 -65.1 -44.9 -2.2 44.4 52.4 68 71 A L H X S+ 0 0 55 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.961 111.6 51.7 -64.2 -49.8 -3.6 46.3 49.4 69 72 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.873 110.4 50.5 -52.8 -42.2 -3.1 49.7 51.1 70 73 A T H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.850 107.0 51.7 -66.6 -38.8 0.5 48.8 51.8 71 74 A A H X S+ 0 0 14 -4,-1.8 4,-3.2 -3,-0.4 5,-0.2 0.926 108.6 53.5 -66.9 -39.1 1.3 47.7 48.3 72 75 A V H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.916 110.8 44.7 -60.4 -44.1 -0.1 51.0 47.0 73 76 A M H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.788 113.8 51.1 -69.4 -32.0 2.2 53.0 49.4 74 77 A R H X S+ 0 0 11 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.957 113.6 43.1 -68.2 -52.0 5.2 50.8 48.5 75 78 A K H X S+ 0 0 20 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.973 115.4 51.8 -56.2 -52.7 4.5 51.3 44.7 76 79 A H H X S+ 0 0 4 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.887 115.4 39.4 -50.4 -48.6 3.9 55.0 45.5 77 80 A R H X S+ 0 0 19 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.804 113.2 53.7 -76.8 -28.5 7.2 55.4 47.4 78 81 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.912 108.4 53.0 -69.7 -39.7 9.2 53.2 45.0 79 82 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.938 107.4 49.8 -60.0 -48.3 7.9 55.5 42.2 80 83 A E H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.3 5,-0.3 0.841 108.2 53.1 -59.9 -40.4 9.1 58.7 44.0 81 84 A R H X>S+ 0 0 40 -4,-1.7 4,-2.6 2,-0.2 5,-0.5 0.930 110.9 47.9 -60.9 -44.9 12.5 57.1 44.5 82 85 A L H X>S+ 0 0 29 -4,-2.2 5,-2.5 1,-0.2 4,-1.1 0.890 112.1 49.8 -61.4 -42.1 12.5 56.5 40.7 83 86 A L H <>S+ 0 0 4 -4,-2.5 6,-2.3 3,-0.2 5,-0.7 0.839 121.7 31.4 -68.4 -34.8 11.4 60.0 39.9 84 87 A T H <5S+ 0 0 33 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.907 123.5 41.6 -90.1 -48.2 14.0 61.7 42.1 85 88 A D H <5S+ 0 0 74 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.897 133.7 9.1 -67.7 -44.7 17.0 59.4 42.0 86 89 A I T <> - 0 0 73 1,-0.2 3,-3.0 2,-0.1 4,-1.1 -0.212 39.1-130.4 -47.4 124.3 11.3 68.5 40.1 91 94 A I T 34 S+ 0 0 81 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.763 105.8 62.4 -51.6 -28.8 11.0 67.6 43.7 92 95 A N T 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.558 109.3 40.8 -77.0 -6.4 7.8 69.7 44.0 93 96 A K T <> S+ 0 0 108 -3,-3.0 4,-2.2 2,-0.1 5,-0.2 0.596 89.6 90.2-112.9 -18.4 6.1 67.5 41.4 94 97 A V H X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 -2,-0.1 0.808 88.0 47.4 -50.9 -39.7 7.3 64.1 42.6 95 98 A H H > S+ 0 0 67 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.941 112.1 48.8 -70.4 -46.1 4.4 63.4 45.0 96 99 A D H > S+ 0 0 93 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.896 114.6 45.7 -58.1 -46.4 1.7 64.4 42.5 97 100 A E H >X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 3,-1.7 0.950 111.7 50.6 -63.2 -50.2 3.2 62.2 39.8 98 101 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.783 98.9 68.4 -60.4 -26.3 3.7 59.2 42.2 99 102 A C H 3< S+ 0 0 50 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.771 109.1 36.0 -64.3 -26.6 0.1 59.6 43.3 100 103 A R H X< S+ 0 0 131 -3,-1.7 3,-1.3 -4,-0.6 4,-0.3 0.842 113.8 55.5 -92.5 -39.1 -0.9 58.5 39.8 101 104 A W H >X S+ 0 0 68 -4,-1.9 4,-2.1 1,-0.3 3,-1.6 0.790 92.0 72.1 -64.5 -31.2 1.9 56.0 39.2 102 105 A E T 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.3 -26,-0.2 0.722 97.5 51.1 -58.5 -24.0 1.1 54.0 42.3 103 106 A H T <4 S+ 0 0 12 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.629 117.4 36.5 -89.3 -14.5 -2.0 52.7 40.6 104 107 A V T <4 S+ 0 0 84 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.548 86.1 103.9-115.3 -10.3 -0.2 51.5 37.4 105 108 A M < - 0 0 19 -4,-2.1 2,-0.1 4,-0.0 -30,-0.1 -0.586 62.1-143.0 -80.0 124.1 3.1 50.2 38.6 106 109 A S > - 0 0 49 -2,-0.4 4,-1.6 1,-0.1 3,-0.3 -0.434 23.0-110.8 -79.7 166.4 3.2 46.4 38.6 107 110 A D H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 116.6 60.7 -64.2 -36.3 5.0 44.3 41.2 108 111 A E H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 104.8 47.3 -60.3 -42.1 7.6 43.2 38.6 109 112 A V H > S+ 0 0 65 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.894 109.3 55.1 -66.2 -40.6 8.7 46.8 38.1 110 113 A E H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.931 106.7 50.4 -58.0 -47.4 8.9 47.3 41.9 111 114 A R H X S+ 0 0 85 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.918 111.0 49.3 -59.0 -39.5 11.2 44.4 42.2 112 115 A R H >X S+ 0 0 137 -4,-1.8 4,-2.9 1,-0.2 3,-0.8 0.930 108.9 51.4 -65.5 -44.7 13.3 45.9 39.4 113 116 A L H 3X S+ 0 0 12 -4,-2.9 4,-3.1 1,-0.3 -1,-0.2 0.862 104.9 57.6 -59.3 -36.9 13.4 49.2 41.1 114 117 A V H 3< S+ 0 0 34 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.808 112.9 40.9 -61.5 -33.2 14.5 47.5 44.3 115 118 A K H << S+ 0 0 155 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.860 120.6 42.0 -79.7 -44.4 17.5 46.1 42.3 116 119 A V H < S+ 0 0 80 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.888 97.9 81.0 -73.0 -44.2 18.2 49.3 40.4 117 120 A L S < S- 0 0 9 -4,-3.1 3,-0.2 -5,-0.2 -35,-0.1 -0.381 75.1-134.9 -68.8 143.6 17.8 52.0 43.2 118 121 A K S S+ 0 0 106 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.908 87.6 9.0 -64.3 -40.2 20.7 52.5 45.6 119 122 A D + 0 0 91 3,-0.1 -1,-0.2 1,-0.1 3,-0.2 -0.966 51.6 178.8-148.6 125.4 18.5 52.6 48.7 120 123 A V + 0 0 26 -2,-0.3 9,-0.3 -3,-0.2 12,-0.1 0.100 56.3 102.2-112.3 22.3 14.8 51.7 49.2 121 124 A S S S+ 0 0 48 1,-0.1 8,-2.2 7,-0.1 2,-0.3 0.911 87.3 20.3 -75.0 -35.3 14.4 52.3 52.9 122 125 A R B S-B 128 0B 126 6,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 -0.929 74.1-117.4-133.7 157.0 12.7 55.7 52.7 123 126 A S > - 0 0 4 4,-3.4 3,-1.9 -2,-0.3 -45,-0.1 -0.436 47.2 -99.3 -79.1 165.9 10.7 57.8 50.3 124 127 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -47,-0.0 0.665 124.3 61.3 -62.8 -13.1 12.4 61.1 49.4 125 128 A F T 3 S- 0 0 86 2,-0.2 -2,-0.0 -30,-0.0 -30,-0.0 0.130 123.5 -98.2-102.3 21.9 10.1 62.7 51.9 126 129 A G S < S+ 0 0 57 -3,-1.9 0, 0.0 1,-0.2 0, 0.0 0.448 81.5 125.0 81.5 1.3 11.3 60.8 54.9 127 130 A N - 0 0 76 1,-0.1 -4,-3.4 -4,-0.1 -1,-0.2 -0.768 62.2-109.3 -97.9 142.3 8.8 58.0 55.2 128 131 A P B -B 122 0B 63 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.295 26.1-117.1 -66.4 148.2 9.7 54.3 55.2 129 132 A I > - 0 0 13 -8,-2.2 3,-0.5 -9,-0.3 -55,-0.1 -0.780 38.9-156.7 -90.2 105.8 8.9 52.0 52.2 130 133 A P T 3 + 0 0 21 0, 0.0 -53,-0.1 0, 0.0 -1,-0.0 -0.183 60.9 29.3 -75.4 169.1 6.4 49.4 53.5 131 134 A G T 3> + 0 0 9 1,-0.1 4,-1.9 3,-0.1 5,-0.2 0.505 66.8 132.1 61.4 9.0 5.6 45.9 52.3 132 135 A L H <>>S+ 0 0 34 -3,-0.5 5,-1.7 1,-0.2 4,-1.5 0.874 74.0 55.5 -60.6 -33.2 9.1 45.1 50.8 133 136 A D H >45S+ 0 0 141 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.966 110.3 44.0 -60.3 -51.7 8.9 41.8 52.6 134 137 A E H 345S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.751 105.1 62.9 -66.0 -26.7 5.6 40.9 50.9 135 138 A L H 3<5S- 0 0 8 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.864 112.5-120.6 -64.7 -34.3 6.9 42.2 47.6 136 139 A G T <<5 0 0 58 -4,-1.5 -3,-0.2 -3,-0.7 -2,-0.1 0.798 360.0 360.0 94.5 38.5 9.5 39.4 47.7 137 140 A V < 0 0 68 -5,-1.7 -1,-0.3 -4,-0.1 -2,-0.1 -0.628 360.0 360.0-143.4 360.0 12.6 41.7 47.6 138 ! 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 0.0 139 148 A P 0 0 76 0, 0.0 2,-0.3 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 110.8 7.5 31.9 50.4 140 149 A G - 0 0 44 17,-0.1 2,-0.4 16,-0.1 72,-0.1 -0.740 360.0 -50.3 108.7-151.9 7.5 32.4 46.6 141 150 A T - 0 0 64 72,-0.9 72,-2.8 -2,-0.3 2,-0.1 -0.990 51.5-104.1-133.7 136.3 4.9 31.4 44.0 142 151 A R B > -C 212 0C 101 -2,-0.4 3,-1.3 70,-0.2 70,-0.2 -0.388 30.0-129.0 -58.7 126.5 3.1 28.1 43.3 143 152 A V G >> S+ 0 0 0 68,-2.3 3,-1.4 1,-0.3 4,-0.8 0.795 108.0 62.4 -45.8 -36.6 4.7 26.5 40.3 144 153 A I G 34 S+ 0 0 46 64,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.928 116.4 28.7 -56.5 -46.3 1.2 26.1 38.8 145 154 A D G <4 S+ 0 0 85 -3,-1.3 -1,-0.3 63,-0.2 -2,-0.2 0.006 119.1 59.6-104.4 26.0 0.7 29.8 38.8 146 155 A A T <4 S+ 0 0 39 -3,-1.4 2,-0.3 1,-0.1 -2,-0.2 0.326 96.7 60.4-133.5 3.9 4.4 30.7 38.3 147 156 A A < + 0 0 18 -4,-0.8 2,-0.2 -3,-0.3 40,-0.2 -0.977 56.0 178.9-136.6 145.3 5.2 29.0 35.1 148 157 A T - 0 0 59 2,-0.7 40,-2.0 38,-0.4 4,-0.2 -0.683 57.0 -69.7-130.2-173.4 3.8 29.4 31.5 149 158 A S S S+ 0 0 79 38,-0.3 40,-0.1 -2,-0.2 38,-0.0 0.691 112.2 89.5 -54.7 -18.3 4.4 27.9 28.1 150 159 A M S S- 0 0 63 1,-0.1 2,-3.0 38,-0.1 -2,-0.7 -0.766 84.1-133.1 -88.1 116.9 7.7 29.8 28.3 151 160 A P + 0 0 98 0, 0.0 36,-0.2 0, 0.0 -2,-0.1 -0.326 41.4 174.8 -67.4 63.7 10.5 27.7 29.9 152 161 A R B -E 186 0D 59 -2,-3.0 34,-1.9 34,-1.0 2,-0.1 -0.263 29.0-121.3 -71.8 155.7 11.6 30.5 32.2 153 162 A K + 0 0 78 32,-0.3 2,-0.3 41,-0.1 32,-0.2 -0.181 41.3 155.5 -81.8-170.7 14.3 29.9 34.8 154 163 A V - 0 0 46 30,-0.2 30,-1.2 -2,-0.1 2,-0.3 -0.956 36.4-100.5 170.5-170.7 13.6 30.6 38.5 155 164 A R B -F 183 0E 46 28,-0.3 2,-0.4 -2,-0.3 28,-0.3 -0.999 27.4-116.9-142.4 139.9 14.7 29.5 41.9 156 165 A I + 0 0 4 26,-2.1 25,-2.7 -2,-0.3 57,-0.2 -0.624 31.7 170.3 -78.5 126.3 13.3 27.0 44.4 157 166 A V S S- 0 0 63 55,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.675 71.3 -9.4-103.4 -29.6 12.2 28.7 47.6 158 167 A Q B -D 212 0C 46 54,-1.2 54,-2.3 21,-0.1 -1,-0.4 -0.943 41.8-162.7-167.2 144.6 10.4 25.6 49.0 159 168 A I - 0 0 10 -2,-0.3 51,-0.1 52,-0.2 -1,-0.1 0.747 29.1-149.7 -98.8 -33.7 9.3 22.1 47.9 160 169 A N > + 0 0 28 1,-0.1 3,-1.3 51,-0.1 4,-0.1 0.855 35.8 157.2 64.9 41.8 6.8 21.5 50.7 161 170 A E G > + 0 0 100 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.548 63.9 76.0 -72.1 -8.8 7.2 17.7 50.9 162 171 A I G 3 S+ 0 0 139 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.852 98.6 45.6 -67.9 -31.4 5.9 17.9 54.5 163 172 A F G < S+ 0 0 134 -3,-1.3 2,-0.2 43,-0.0 -1,-0.2 0.332 90.7 112.1 -92.6 2.8 2.4 18.4 52.9 164 173 A Q < - 0 0 21 -3,-0.6 3,-0.1 1,-0.2 -3,-0.0 -0.537 40.5-177.8 -82.9 141.9 2.8 15.6 50.3 165 174 A V S S+ 0 0 131 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.759 78.5 50.8-100.9 -44.8 0.7 12.4 50.5 166 175 A E - 0 0 122 1,-0.1 -1,-0.3 4,-0.0 3,-0.2 -0.843 63.7-177.5 -96.0 131.1 2.2 10.7 47.5 167 176 A T > + 0 0 72 -2,-0.5 3,-1.6 1,-0.1 4,-0.5 0.228 46.0 113.0-117.0 15.9 6.1 10.6 47.7 168 177 A D T 3 S+ 0 0 86 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.723 79.4 48.7 -61.2 -28.0 7.0 8.9 44.4 169 178 A Q T 3> S+ 0 0 6 1,-0.2 4,-2.5 -3,-0.2 -1,-0.3 0.374 84.2 93.0 -96.1 1.8 8.6 12.0 42.9 170 179 A F H <> S+ 0 0 49 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.953 92.5 39.9 -57.0 -52.5 10.7 12.8 45.9 171 180 A T H > S+ 0 0 82 -4,-0.5 4,-3.6 -3,-0.2 -1,-0.2 0.855 109.4 61.7 -67.2 -36.0 13.6 10.8 44.5 172 181 A Q H > S+ 0 0 78 -4,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.973 107.6 43.6 -51.3 -57.7 12.9 12.2 41.0 173 182 A L H <>S+ 0 0 4 -4,-2.5 5,-3.0 1,-0.2 -1,-0.2 0.889 115.1 52.0 -54.0 -40.9 13.6 15.7 42.4 174 183 A L H ><5S+ 0 0 117 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.900 110.5 45.9 -63.0 -43.6 16.6 14.2 44.2 175 184 A D H 3<5S+ 0 0 114 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.980 112.3 49.5 -64.8 -53.3 18.0 12.6 41.0 176 185 A A T 3<5S- 0 0 8 -4,-3.0 -1,-0.3 -5,-0.2 23,-0.2 0.357 113.3-123.0 -69.1 9.3 17.5 15.8 39.0 177 186 A D T < 5 + 0 0 111 -3,-1.0 2,-0.7 -5,-0.2 -3,-0.2 0.893 56.1 155.7 47.3 51.1 19.2 17.6 41.8 178 187 A I < + 0 0 6 -5,-3.0 2,-0.2 -6,-0.1 -1,-0.2 -0.905 13.2 143.8-110.3 103.0 16.3 20.0 42.4 179 188 A R > - 0 0 54 -2,-0.7 3,-1.4 -3,-0.1 2,-0.3 -0.608 56.5 -59.7-125.2-171.1 16.4 21.3 45.9 180 189 A V T 3 S+ 0 0 101 1,-0.3 -23,-0.2 -2,-0.2 3,-0.1 -0.582 123.9 22.1 -77.9 128.4 15.6 24.5 47.8 181 190 A G T 3 S+ 0 0 66 -25,-2.7 2,-0.5 -2,-0.3 -1,-0.3 0.451 94.0 130.1 93.9 2.5 17.8 27.4 46.6 182 191 A S < - 0 0 20 -3,-1.4 -26,-2.1 -26,-0.1 -1,-0.3 -0.797 58.6-131.9 -94.5 123.3 18.3 25.7 43.3 183 192 A E B +F 155 0E 64 -2,-0.5 2,-0.3 -28,-0.3 -28,-0.3 -0.562 38.4 172.4 -71.5 132.5 17.7 27.7 40.2 184 193 A V - 0 0 6 -30,-1.2 -30,-0.2 -2,-0.3 12,-0.2 -0.950 30.8-113.5-141.8 161.7 15.5 25.7 37.8 185 194 A E - 0 0 33 10,-2.6 2,-0.3 -2,-0.3 -32,-0.3 -0.485 29.9-165.2 -89.1 168.1 13.6 26.1 34.6 186 195 A I B +E 152 0D 4 -34,-1.9 -34,-1.0 8,-0.2 -38,-0.4 -0.961 15.6 171.6-158.1 138.4 9.8 25.9 34.3 187 196 A V - 0 0 22 -2,-0.3 6,-1.6 -36,-0.2 2,-1.0 -0.971 22.5-146.2-149.5 127.0 7.2 25.5 31.5 188 197 A D B G 192 0F 36 -40,-2.0 4,-0.2 -2,-0.3 -39,-0.2 -0.770 360.0 360.0 -99.0 90.2 3.5 25.0 32.0 189 198 A R 0 0 103 -2,-1.0 3,-0.2 2,-0.8 -1,-0.1 0.302 360.0 360.0-150.4 360.0 2.3 22.8 29.1 190 ! 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 0.0 191 201 A H 0 0 47 0, 0.0 -2,-0.8 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 179.8 1.7 19.6 32.8 192 202 A I B -G 188 0F 17 -4,-0.2 11,-2.4 -3,-0.2 2,-0.3 -0.283 360.0-178.9 -55.6 127.4 4.2 21.6 34.9 193 203 A T E -H 202 0G 32 -6,-1.6 2,-0.6 9,-0.3 9,-0.3 -0.680 8.4-167.5-133.8 82.2 7.7 20.3 34.0 194 204 A L E -H 201 0G 3 7,-1.0 7,-0.7 -2,-0.3 2,-0.3 -0.562 14.9-157.1 -75.5 114.5 10.5 22.0 36.0 195 205 A S E +H 200 0G 26 -2,-0.6 -10,-2.6 5,-0.2 5,-0.3 -0.640 22.8 152.2 -91.9 153.3 13.8 21.0 34.4 196 206 A H E > +H 199 0G 56 3,-2.9 3,-2.0 -2,-0.3 -18,-0.1 -0.884 58.7 24.9-175.8 148.2 17.2 21.0 36.1 197 207 A N T 3 S- 0 0 63 1,-0.3 3,-0.1 -2,-0.3 -20,-0.1 0.851 130.5 -63.7 57.5 36.7 20.5 19.3 35.9 198 208 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 -22,-0.0 -1,-0.3 0.512 118.5 109.4 68.6 4.6 19.6 18.6 32.2 199 209 A K E < -H 196 0G 39 -3,-2.0 -3,-2.9 -23,-0.2 2,-0.3 -0.926 61.4-141.0-115.9 135.5 16.6 16.5 33.4 200 210 A D E -H 195 0G 117 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.2 -0.747 8.6-157.8 -92.0 146.5 13.0 17.5 33.1 201 211 A V E -H 194 0G 3 -7,-0.7 -7,-1.0 -2,-0.3 2,-1.0 -0.906 3.0-158.0-128.4 101.2 10.5 16.7 36.0 202 212 A E E -H 193 0G 132 -2,-0.5 -9,-0.3 -9,-0.3 -10,-0.1 -0.707 26.2-148.0 -81.8 104.8 6.9 16.6 34.9 203 213 A L - 0 0 16 -11,-2.4 2,-0.2 -2,-1.0 -11,-0.1 -0.236 3.9-121.2 -73.1 162.2 5.1 17.2 38.2 204 214 A L > - 0 0 80 -13,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.659 38.2 -94.0-101.0 157.8 1.8 16.0 39.6 205 215 A D H > S+ 0 0 117 -2,-0.2 4,-1.6 1,-0.2 -61,-0.1 0.848 122.0 47.4 -31.8 -65.5 -1.1 18.2 40.7 206 216 A D H > S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 112.8 46.0 -51.3 -51.1 -0.1 18.2 44.3 207 217 A L H > S+ 0 0 2 -3,-0.4 4,-2.5 1,-0.2 3,-0.4 0.912 110.2 54.2 -62.6 -41.7 3.6 19.0 43.9 208 218 A A H < S+ 0 0 7 -4,-2.6 -64,-1.7 1,-0.2 -1,-0.2 0.839 109.6 51.0 -59.8 -31.2 2.8 21.7 41.4 209 219 A H H < S+ 0 0 107 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.750 117.3 34.8 -77.0 -31.3 0.5 23.2 44.0 210 220 A T H < S+ 0 0 21 -4,-1.4 -2,-0.2 -3,-0.4 2,-0.2 0.793 90.6 94.3 -97.5 -32.5 3.0 23.3 46.9 211 221 A I < - 0 0 0 -4,-2.5 -68,-2.3 -5,-0.2 2,-0.5 -0.407 61.8-151.0 -66.7 131.5 6.4 24.0 45.4 212 222 A R B CD 142 158C 55 -54,-2.3 -55,-3.3 -70,-0.2 -54,-1.2 -0.929 360.0 360.0-114.7 121.6 7.3 27.7 45.4 213 223 A I 0 0 18 -72,-2.8 -72,-0.9 -2,-0.5 -57,-0.2 -0.945 360.0 360.0-116.0 360.0 9.5 29.4 42.8