==== 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 TRANSCRIPTION 15-JUL-03 1Q0A . COMPND 2 MOLECULE: ZN(II)-RESPONSIVE REGULATOR OF ZNTA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.CHANGELA,K.CHEN,Y.XUE,J.HOLSCHEN,C.E.OUTTEN,T.V.O'HALLORAN . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 73.9 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 . 0 0.0 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 0 1 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 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 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 44 A D > 0 0 159 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -62.9 -9.3 42.6 -26.9 2 45 A L H > + 0 0 137 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 360.0 53.6 -65.5 -35.7 -6.3 45.0 -26.9 3 46 A Q H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 106.6 52.5 -67.2 -34.7 -8.6 47.9 -26.2 4 47 A R H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 107.3 53.0 -66.9 -37.9 -10.0 46.1 -23.2 5 48 A L H X S+ 0 0 60 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.904 108.0 49.7 -64.0 -42.0 -6.4 45.6 -22.0 6 49 A K H X S+ 0 0 88 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.909 106.9 55.1 -62.9 -43.9 -5.7 49.3 -22.2 7 50 A F H X S+ 0 0 60 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.943 110.8 46.1 -52.6 -50.3 -8.9 50.1 -20.3 8 51 A I H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.897 111.2 51.2 -60.6 -44.0 -7.6 47.8 -17.5 9 52 A R H X S+ 0 0 143 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.913 110.3 49.9 -60.9 -43.0 -4.1 49.3 -17.6 10 53 A H H X S+ 0 0 94 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.874 109.9 50.3 -64.7 -36.8 -5.6 52.8 -17.3 11 54 A A H ><>S+ 0 0 9 -4,-2.1 5,-1.6 -5,-0.2 3,-0.8 0.887 108.7 52.6 -68.6 -38.0 -7.7 51.8 -14.3 12 55 A R H ><5S+ 0 0 160 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.842 99.6 62.9 -66.4 -32.4 -4.7 50.3 -12.6 13 56 A Q H 3<5S+ 0 0 153 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.754 105.2 47.3 -64.5 -23.0 -2.8 53.5 -13.1 14 57 A L T <<5S- 0 0 115 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.366 117.2-116.8 -97.7 2.9 -5.4 55.1 -10.8 15 58 A G T < 5 + 0 0 30 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.662 48.2 172.1 74.1 19.1 -5.2 52.3 -8.3 16 59 A F < - 0 0 24 -5,-1.6 -1,-0.2 1,-0.1 27,-0.0 -0.291 37.2-106.4 -59.8 145.4 -8.7 50.9 -8.5 17 60 A S > - 0 0 41 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.222 27.4-108.5 -68.0 162.3 -9.2 47.7 -6.6 18 61 A L H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 123.1 51.3 -58.7 -38.9 -9.6 44.4 -8.4 19 62 A E H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 109.2 48.0 -63.6 -48.4 -13.2 44.5 -7.5 20 63 A S H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.865 109.9 52.9 -62.2 -37.5 -13.8 48.0 -8.8 21 64 A I H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.894 108.4 50.7 -66.3 -38.2 -12.0 47.2 -12.0 22 65 A R H X S+ 0 0 164 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.884 112.2 46.3 -67.2 -37.4 -14.3 44.2 -12.5 23 66 A E H X S+ 0 0 84 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.897 111.6 51.2 -71.2 -38.1 -17.4 46.4 -11.9 24 67 A L H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.891 109.6 51.8 -63.6 -38.2 -16.1 49.0 -14.3 25 68 A L H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.859 107.8 50.7 -66.6 -36.7 -15.5 46.3 -16.9 26 69 A S H X S+ 0 0 50 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.868 112.7 46.5 -69.3 -35.5 -19.1 45.0 -16.5 27 70 A I H < S+ 0 0 22 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.923 110.9 54.2 -69.1 -44.2 -20.4 48.6 -17.0 28 71 A R H < S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 111.1 43.5 -56.5 -43.0 -18.1 49.1 -19.9 29 72 A I H < S+ 0 0 130 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.657 125.0 32.1 -82.9 -15.2 -19.4 46.0 -21.8 30 73 A D S >< S+ 0 0 67 -4,-1.0 3,-1.9 -3,-0.5 -1,-0.2 -0.350 70.0 154.4-138.0 53.4 -23.1 46.6 -21.1 31 74 A P G > + 0 0 81 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.767 65.4 67.2 -53.3 -34.2 -23.4 50.4 -21.0 32 75 A E G 3 S+ 0 0 175 1,-0.3 -5,-0.0 -3,-0.1 -2,-0.0 0.662 105.1 44.0 -65.7 -15.6 -27.0 50.5 -22.1 33 76 A H G < S+ 0 0 132 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.3 0.092 108.6 64.7-116.9 23.0 -28.0 48.9 -18.8 34 77 A H < - 0 0 55 -3,-1.6 2,-0.3 -7,-0.1 -7,-0.0 -0.894 67.5-140.4-137.7 166.4 -25.8 50.9 -16.5 35 78 A T > - 0 0 75 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.825 29.4-108.6-130.7 169.1 -25.7 54.6 -15.5 36 79 A C H > S+ 0 0 112 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.818 115.6 65.1 -62.4 -30.7 -23.4 57.5 -14.7 37 80 A Q H > S+ 0 0 168 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 103.2 45.9 -58.8 -43.1 -24.4 57.1 -11.0 38 81 A E H > S+ 0 0 62 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.939 114.6 45.4 -66.0 -49.5 -22.8 53.6 -10.9 39 82 A S H X S+ 0 0 40 -4,-1.7 4,-1.8 1,-0.2 3,-0.3 0.923 114.0 49.2 -62.3 -44.0 -19.5 54.6 -12.6 40 83 A K H X S+ 0 0 143 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.841 105.0 58.6 -64.4 -34.3 -19.2 57.8 -10.5 41 84 A G H X S+ 0 0 35 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.881 106.0 49.9 -62.2 -36.7 -19.8 55.9 -7.3 42 85 A I H X S+ 0 0 6 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.913 113.1 45.3 -67.4 -43.9 -16.8 53.7 -8.2 43 86 A V H X S+ 0 0 76 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.917 112.2 51.7 -65.5 -44.0 -14.6 56.8 -8.8 44 87 A Q H X S+ 0 0 98 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.887 108.4 50.8 -61.7 -41.0 -15.8 58.5 -5.6 45 88 A E H X S+ 0 0 115 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.921 112.9 45.3 -64.2 -43.6 -15.1 55.5 -3.5 46 89 A R H X S+ 0 0 54 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.867 111.1 54.7 -67.3 -34.4 -11.5 55.3 -4.9 47 90 A L H X S+ 0 0 89 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 108.0 48.4 -64.1 -44.6 -11.2 59.0 -4.5 48 91 A Q H X S+ 0 0 113 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.911 111.5 51.0 -60.9 -43.4 -12.1 58.8 -0.8 49 92 A E H X S+ 0 0 105 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.940 110.9 47.7 -59.3 -50.0 -9.6 56.0 -0.3 50 93 A V H X S+ 0 0 42 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.890 111.7 49.3 -59.7 -43.6 -6.8 57.9 -2.0 51 94 A E H X S+ 0 0 113 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.871 111.7 48.9 -66.4 -36.9 -7.4 61.1 0.1 52 95 A A H X S+ 0 0 47 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.887 111.8 49.3 -69.2 -38.9 -7.5 59.1 3.3 53 96 A R H X S+ 0 0 116 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.862 109.2 52.2 -68.8 -35.5 -4.3 57.3 2.5 54 97 A I H X S+ 0 0 82 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.906 108.6 50.8 -65.9 -41.5 -2.5 60.6 1.6 55 98 A A H X S+ 0 0 52 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.908 111.5 47.7 -62.5 -43.1 -3.5 62.1 4.9 56 99 A E H X S+ 0 0 101 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.923 112.9 48.2 -64.0 -45.5 -2.1 59.1 6.8 57 100 A L H X S+ 0 0 79 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.856 108.7 53.6 -64.7 -36.3 1.1 59.2 4.8 58 101 A Q H X S+ 0 0 103 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.840 106.9 52.9 -67.9 -32.5 1.6 62.9 5.4 59 102 A S H X S+ 0 0 58 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.925 111.7 44.9 -67.0 -44.0 1.2 62.3 9.1 60 103 A M H X S+ 0 0 99 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.920 110.7 56.1 -63.7 -42.7 3.9 59.7 9.0 61 104 A Q H X S+ 0 0 98 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.865 105.6 50.3 -58.0 -40.6 6.0 62.1 6.8 62 105 A R H X S+ 0 0 118 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.932 114.0 44.1 -66.1 -44.4 5.8 64.8 9.4 63 106 A S H X S+ 0 0 52 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.920 114.0 49.9 -65.6 -45.0 7.0 62.5 12.2 64 107 A L H X S+ 0 0 110 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.890 108.9 52.5 -61.9 -39.5 9.7 60.9 10.1 65 108 A Q H X S+ 0 0 79 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.899 109.8 48.9 -64.2 -39.9 11.0 64.4 9.1 66 109 A R H X S+ 0 0 156 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.965 112.9 47.1 -61.9 -52.4 11.2 65.4 12.7 67 110 A L H X S+ 0 0 45 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.901 114.1 48.8 -54.8 -45.0 13.1 62.2 13.6 68 111 A N H >< S+ 0 0 106 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.938 110.4 48.1 -62.6 -51.2 15.4 62.7 10.7 69 112 A D H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.761 108.9 54.9 -64.0 -27.0 16.3 66.3 11.3 70 113 A A H 3< S+ 0 0 19 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.774 90.9 84.3 -79.1 -27.5 17.0 65.7 15.0 71 114 A C << - 0 0 36 -4,-1.1 10,-0.1 -3,-0.5 101,-0.0 -0.576 69.5-145.4 -80.8 136.3 19.6 63.0 14.5 72 115 A C - 0 0 27 -2,-0.3 -1,-0.1 96,-0.1 3,-0.1 0.784 24.1-149.6 -70.2 -25.8 23.2 63.9 13.8 73 116 A G + 0 0 65 1,-0.2 2,-0.1 3,-0.1 -1,-0.1 0.737 54.5 112.4 64.0 25.1 23.6 60.9 11.6 74 117 A T S S- 0 0 66 3,-0.0 -1,-0.2 92,-0.0 -2,-0.1 -0.370 91.4 -69.5-113.5-165.9 27.3 60.4 12.4 75 118 A A S S+ 0 0 107 -2,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.522 84.0 136.8 -64.5 -5.2 29.5 57.9 14.2 76 119 A H - 0 0 51 1,-0.1 88,-0.1 2,-0.1 5,-0.1 -0.150 69.4 -97.4 -42.8 130.8 27.9 59.2 17.4 77 120 A S > - 0 0 58 1,-0.2 3,-2.3 2,-0.1 4,-0.2 -0.321 22.7-133.0 -59.3 132.8 27.1 56.2 19.6 78 121 A S G > S+ 0 0 78 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.577 98.3 84.2 -65.5 -5.2 23.5 55.0 19.2 79 122 A V G 3 S+ 0 0 109 1,-0.3 -1,-0.3 5,-0.0 -2,-0.1 0.799 100.2 38.3 -65.3 -22.6 23.3 54.8 23.0 80 123 A Y G < S+ 0 0 102 -3,-2.3 -1,-0.3 4,-0.0 -2,-0.2 0.351 87.4 135.8-106.3 3.4 22.5 58.5 22.6 81 124 A C <> - 0 0 26 -3,-0.9 4,-1.5 -4,-0.2 5,-0.1 -0.344 44.6-155.9 -65.1 126.4 20.3 58.4 19.5 82 125 A S H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.726 92.0 62.6 -69.3 -25.4 17.2 60.5 19.6 83 126 A I H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 104.5 46.2 -67.2 -45.4 15.5 58.2 17.0 84 127 A L H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.901 113.1 50.3 -63.7 -39.9 15.7 55.2 19.3 85 128 A E H X S+ 0 0 130 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.912 108.9 51.0 -65.5 -42.7 14.3 57.2 22.2 86 129 A A H X S+ 0 0 33 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.908 111.3 47.5 -61.6 -42.3 11.4 58.6 20.2 87 130 A L H < S+ 0 0 124 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.804 111.7 52.1 -69.8 -27.7 10.4 55.1 19.0 88 131 A E H < S+ 0 0 153 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.934 123.2 26.8 -72.6 -46.6 10.7 53.9 22.6 89 132 A Q H < S- 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.767 91.3-161.7 -88.9 -27.0 8.5 56.6 24.1 90 133 A G < 0 0 49 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.476 360.0 360.0 76.0-153.3 6.3 57.4 21.1 91 134 A A 0 0 159 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 0.877 360.0 360.0-102.4 360.0 4.5 60.7 21.2 92 !* 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 93 44 B D > 0 0 169 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-100.8 68.8 85.5 51.2 94 45 B L H > + 0 0 144 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 360.0 47.7 -54.5 -48.8 69.1 82.9 48.4 95 46 B Q H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 111.0 52.6 -61.5 -35.4 68.4 80.1 50.8 96 47 B R H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 109.7 48.2 -66.5 -40.3 65.4 82.0 52.1 97 48 B L H X S+ 0 0 101 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.859 110.2 51.8 -67.9 -36.3 64.1 82.5 48.6 98 49 B K H X S+ 0 0 86 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 107.7 52.9 -65.6 -42.1 64.5 78.8 47.8 99 50 B F H X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.945 111.9 45.1 -56.8 -50.4 62.6 78.0 51.0 100 51 B I H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.912 110.2 54.2 -60.5 -45.3 59.7 80.2 49.8 101 52 B R H X S+ 0 0 131 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.914 109.1 49.3 -55.8 -44.6 59.9 78.8 46.3 102 53 B H H X S+ 0 0 75 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.878 110.3 49.9 -64.0 -39.3 59.5 75.3 47.8 103 54 B A H ><>S+ 0 0 8 -4,-2.0 5,-1.6 1,-0.2 3,-1.4 0.919 108.3 52.3 -66.4 -43.9 56.5 76.3 49.9 104 55 B R H ><5S+ 0 0 166 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.823 100.5 63.5 -61.3 -30.9 54.8 77.9 47.0 105 56 B Q H 3<5S+ 0 0 126 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.746 103.3 49.0 -65.2 -22.8 55.3 74.6 45.1 106 57 B L T <<5S- 0 0 104 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.360 118.5-111.9 -97.7 3.6 53.1 73.0 47.7 107 58 B G T < 5 + 0 0 30 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.666 53.3 168.9 77.5 17.4 50.3 75.6 47.4 108 59 B F < - 0 0 21 -5,-1.6 -1,-0.2 1,-0.1 -2,-0.0 -0.414 37.2-115.2 -64.6 135.9 50.8 77.1 50.9 109 60 B S > - 0 0 54 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.218 25.7-108.7 -65.4 161.7 48.9 80.4 51.3 110 61 B L H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 121.1 55.5 -60.7 -35.3 50.9 83.6 51.8 111 62 B E H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 109.9 42.8 -62.1 -51.5 49.7 83.5 55.4 112 63 B S H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 112.6 55.0 -64.7 -34.2 51.0 80.0 56.1 113 64 B I H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.920 106.5 50.7 -64.9 -42.6 54.2 80.9 54.3 114 65 B R H X S+ 0 0 168 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.902 111.6 48.1 -61.2 -40.7 54.7 83.9 56.6 115 66 B E H X S+ 0 0 86 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.910 110.2 51.1 -67.3 -40.6 54.2 81.6 59.6 116 67 B L H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.866 108.6 52.9 -63.5 -35.6 56.6 79.0 58.3 117 68 B L H X S+ 0 0 25 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.859 107.4 51.2 -67.6 -35.2 59.2 81.7 57.7 118 69 B S H X S+ 0 0 66 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.867 112.1 45.8 -69.1 -38.5 58.8 82.9 61.3 119 70 B I H < S+ 0 0 21 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.922 111.3 55.1 -68.3 -43.7 59.3 79.4 62.6 120 71 B R H < S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.0 42.0 -56.0 -45.4 62.3 79.0 60.3 121 72 B I H < S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.655 125.6 33.3 -81.6 -15.8 64.1 82.0 61.5 122 73 B D >< + 0 0 57 -4,-1.0 3,-1.9 -3,-0.4 -1,-0.2 -0.318 68.4 153.7-137.1 54.5 63.5 81.5 65.2 123 74 B P G > + 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.745 65.6 68.4 -53.5 -33.0 63.4 77.6 65.6 124 75 B E G 3 S+ 0 0 142 1,-0.3 -5,-0.0 -3,-0.1 -2,-0.0 0.688 105.3 43.0 -65.2 -17.2 64.5 77.6 69.3 125 76 B H G < S+ 0 0 133 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.3 0.120 108.3 65.5-116.9 22.8 61.1 79.2 70.2 126 77 B H < - 0 0 57 -3,-1.5 2,-0.3 -7,-0.1 3,-0.0 -0.906 66.2-140.1-137.8 164.9 58.8 77.1 68.0 127 78 B T >> - 0 0 77 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.816 29.0-110.9-129.1 167.2 57.8 73.4 67.9 128 79 B C H 3> S+ 0 0 107 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.833 115.6 65.1 -61.5 -32.2 57.0 70.5 65.5 129 80 B Q H 3> S+ 0 0 169 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 103.6 46.0 -58.5 -39.1 53.4 70.9 66.6 130 81 B E H <> S+ 0 0 65 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.945 115.1 44.2 -69.3 -50.7 53.3 74.3 65.0 131 82 B S H X S+ 0 0 42 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.921 114.6 49.6 -61.9 -43.8 54.9 73.3 61.7 132 83 B K H X S+ 0 0 144 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.857 105.4 57.4 -64.9 -35.2 52.9 70.2 61.5 133 84 B G H X S+ 0 0 36 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.887 107.3 49.2 -61.8 -37.3 49.6 72.1 62.1 134 85 B I H X S+ 0 0 9 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.919 113.5 45.0 -67.0 -44.8 50.5 74.2 59.1 135 86 B V H X S+ 0 0 74 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 112.8 51.6 -64.5 -45.8 51.2 71.2 56.9 136 87 B Q H X S+ 0 0 95 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.889 107.9 51.2 -59.5 -42.9 48.1 69.4 58.1 137 88 B E H X S+ 0 0 119 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.942 113.0 45.0 -61.4 -47.6 45.8 72.4 57.4 138 89 B R H X S+ 0 0 55 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.858 110.5 55.9 -64.0 -35.4 47.1 72.7 53.8 139 90 B L H X S+ 0 0 91 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.910 107.4 48.1 -63.6 -42.9 46.8 68.9 53.4 140 91 B Q H X S+ 0 0 109 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.876 111.0 52.3 -65.2 -37.9 43.1 69.0 54.3 141 92 B E H X S+ 0 0 100 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.926 110.8 46.1 -64.2 -46.4 42.6 71.9 51.9 142 93 B V H X S+ 0 0 46 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.938 111.7 50.1 -63.3 -48.6 44.2 70.1 49.0 143 94 B E H X S+ 0 0 119 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.865 111.7 50.4 -59.6 -35.0 42.4 66.8 49.6 144 95 B A H X S+ 0 0 53 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.921 111.2 46.4 -69.2 -45.4 39.1 68.8 49.7 145 96 B R H X S+ 0 0 122 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.884 108.9 56.4 -64.0 -38.4 39.8 70.6 46.5 146 97 B I H X S+ 0 0 80 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.912 105.9 51.1 -59.0 -42.7 40.8 67.4 44.8 147 98 B A H X S+ 0 0 53 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.901 111.1 48.0 -61.8 -42.2 37.4 65.9 45.7 148 99 B E H X S+ 0 0 101 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.934 112.2 48.2 -64.5 -48.0 35.6 68.9 44.2 149 100 B L H X S+ 0 0 79 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.859 109.2 52.3 -62.3 -38.0 37.6 68.8 41.0 150 101 B Q H X S+ 0 0 104 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.835 108.5 52.8 -68.1 -31.4 37.1 65.0 40.5 151 102 B S H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.935 111.4 44.0 -67.8 -47.1 33.4 65.6 40.9 152 103 B M H X S+ 0 0 107 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.907 111.2 57.4 -62.0 -41.2 33.3 68.3 38.2 153 104 B Q H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 104.6 50.4 -56.6 -43.5 35.6 66.0 36.2 154 105 B R H X S+ 0 0 136 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.903 113.9 44.2 -64.4 -41.0 33.0 63.2 36.3 155 106 B S H X S+ 0 0 45 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.938 113.5 50.1 -68.3 -47.4 30.2 65.5 35.2 156 107 B L H X S+ 0 0 106 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.877 107.9 54.5 -58.7 -39.2 32.3 67.1 32.5 157 108 B Q H X S+ 0 0 79 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.903 109.7 46.8 -63.2 -41.0 33.3 63.6 31.2 158 109 B R H X S+ 0 0 146 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.928 113.0 48.4 -66.4 -45.1 29.6 62.6 30.9 159 110 B L H X S+ 0 0 32 -4,-2.6 4,-1.1 1,-0.2 3,-0.2 0.946 115.0 47.1 -58.0 -48.4 28.7 65.9 29.1 160 111 B N H < S+ 0 0 105 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.921 111.5 48.4 -59.2 -50.3 31.6 65.4 26.8 161 112 B D H < S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.750 109.0 54.3 -65.7 -25.7 31.0 61.7 26.0 162 113 B A H < S+ 0 0 19 -4,-1.7 2,-0.3 -3,-0.2 -1,-0.2 0.746 90.9 84.0 -81.9 -25.8 27.3 62.3 25.2 163 114 B C < - 0 0 37 -4,-1.1 10,-0.1 -3,-0.5 -83,-0.0 -0.638 69.9-144.5 -84.3 133.6 27.7 65.1 22.6 164 115 B C - 0 0 27 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.784 24.1-148.2 -65.3 -26.9 28.4 64.1 19.0 165 116 B G + 0 0 66 1,-0.2 2,-0.1 3,-0.1 -1,-0.1 0.771 55.3 113.5 64.4 27.6 30.7 67.1 18.6 166 117 B T S S- 0 0 62 3,-0.0 -1,-0.2 2,-0.0 -2,-0.0 -0.365 91.0 -70.8-114.2-164.5 29.9 67.5 14.9 167 118 B A S S+ 0 0 106 -2,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.485 83.6 137.6 -68.2 -2.2 28.1 70.1 12.7 168 119 B H - 0 0 49 1,-0.1 -96,-0.1 2,-0.1 -3,-0.1 -0.204 68.9 -98.6 -46.4 126.7 24.9 68.9 14.4 169 120 B S > - 0 0 60 1,-0.2 3,-2.5 2,-0.1 4,-0.2 -0.259 22.0-131.6 -54.6 131.5 22.8 72.0 15.1 170 121 B S G > S+ 0 0 83 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.578 98.9 85.9 -63.5 -4.9 23.2 73.1 18.8 171 122 B V G 3 S+ 0 0 115 1,-0.3 -1,-0.3 5,-0.0 -2,-0.1 0.788 99.3 37.3 -64.2 -23.0 19.4 73.2 18.8 172 123 B Y G < S+ 0 0 103 -3,-2.5 -1,-0.3 4,-0.0 -2,-0.2 0.332 86.7 137.5-109.1 6.0 19.7 69.5 19.7 173 124 B C <> - 0 0 28 -3,-1.0 4,-1.7 -4,-0.2 5,-0.1 -0.335 42.7-156.8 -64.5 126.7 22.8 69.7 21.9 174 125 B S H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.787 91.9 61.9 -69.5 -29.7 22.7 67.5 25.1 175 126 B I H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.948 105.8 45.0 -63.0 -48.0 25.3 69.7 26.8 176 127 B L H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.918 114.0 50.4 -60.8 -43.6 23.1 72.8 26.6 177 128 B E H X S+ 0 0 120 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.903 111.3 48.2 -61.6 -43.0 20.1 70.7 27.8 178 129 B A H < S+ 0 0 41 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.934 110.8 49.2 -64.4 -47.4 22.1 69.3 30.7 179 130 B L H < S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.791 110.3 53.3 -63.3 -26.0 23.4 72.7 31.8 180 131 B E H < 0 0 169 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.907 360.0 360.0 -73.8 -41.6 19.8 74.0 31.6 181 132 B Q < 0 0 180 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.938 360.0 360.0 -76.1 360.0 18.7 71.1 33.9