==== 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 METALLOREGULATION 16-SEP-97 1SMT . COMPND 2 MOLECULE: TRANSCRIPTIONAL REPRESSOR SMTB; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR W.J.COOK,L.M.HALL . 199 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 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 . 17 8.5 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 . 2 1.0 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 . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 2 0 2 0 0 2 2 1 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 . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 24 A E 0 0 227 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.1 -7.8 17.2 37.6 2 25 A L + 0 0 47 135,-0.0 2,-0.4 0, 0.0 132,-0.1 -0.673 360.0 177.5 -88.3 134.4 -5.2 19.9 37.0 3 26 A Q - 0 0 164 -2,-0.4 3,-0.1 130,-0.1 146,-0.1 -0.983 26.9-123.4-132.4 140.4 -4.0 21.1 33.6 4 27 A A - 0 0 17 -2,-0.4 2,-0.1 144,-0.3 126,-0.1 -0.240 45.5 -82.4 -73.9 168.1 -1.5 23.8 32.8 5 28 A I - 0 0 29 125,-0.2 -1,-0.1 124,-0.2 5,-0.1 -0.480 59.9 -88.5 -70.9 148.6 -2.5 26.7 30.6 6 29 A A > - 0 0 33 1,-0.1 4,-2.1 -2,-0.1 3,-0.3 -0.204 34.9-117.0 -55.0 148.4 -2.2 25.9 26.8 7 30 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.846 115.9 54.1 -58.8 -34.4 1.3 26.6 25.3 8 31 A E H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.883 110.0 47.3 -67.6 -35.8 -0.2 29.2 23.0 9 32 A V H > S+ 0 0 54 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.880 111.0 51.7 -71.5 -36.4 -1.8 31.0 26.0 10 33 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 108.5 51.9 -66.1 -39.4 1.5 30.8 27.9 11 34 A Q H X S+ 0 0 102 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 110.0 47.4 -63.6 -44.9 3.4 32.3 24.9 12 35 A S H X S+ 0 0 60 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.864 112.0 50.2 -63.3 -41.4 1.0 35.3 24.7 13 36 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.915 109.1 52.1 -64.6 -42.6 1.2 35.9 28.4 14 37 A A H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.917 109.3 49.5 -59.4 -45.6 5.0 35.8 28.2 15 38 A E H X S+ 0 0 119 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.817 107.6 55.9 -61.6 -37.2 5.0 38.4 25.4 16 39 A F H X S+ 0 0 17 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.930 109.3 44.6 -62.2 -47.2 2.7 40.6 27.5 17 40 A F H X S+ 0 0 2 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.825 108.7 57.8 -66.5 -32.5 5.1 40.6 30.4 18 41 A A H >< S+ 0 0 51 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.904 102.6 54.4 -63.4 -41.7 8.0 41.3 28.1 19 42 A V H 3< S+ 0 0 34 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.1 49.8 -61.2 -33.4 6.2 44.5 26.9 20 43 A L H 3< S+ 0 0 3 -4,-1.1 2,-1.9 1,-0.2 -1,-0.3 0.572 85.2 92.4 -83.2 -11.3 6.0 45.7 30.5 21 44 A A << + 0 0 34 -3,-1.1 -1,-0.2 -4,-0.6 96,-0.1 -0.392 63.3 100.2 -82.0 61.4 9.7 45.0 31.1 22 45 A D > - 0 0 50 -2,-1.9 4,-1.9 1,-0.1 3,-0.4 -0.914 63.7-149.6-149.8 114.8 10.6 48.6 30.1 23 46 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.817 96.9 53.0 -54.2 -41.8 11.3 51.3 32.8 24 47 A N H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.881 109.1 49.2 -64.7 -40.5 10.1 54.2 30.7 25 48 A R H > S+ 0 0 53 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.901 110.8 51.2 -64.9 -40.8 6.8 52.5 30.0 26 49 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.832 105.6 54.0 -66.3 -35.7 6.4 51.8 33.7 27 50 A R H X S+ 0 0 61 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.867 111.1 47.5 -66.3 -35.7 7.1 55.4 34.7 28 51 A L H >X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 3,-0.7 0.911 112.4 48.5 -69.4 -43.4 4.3 56.4 32.3 29 52 A L H 3X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.849 102.7 63.2 -65.3 -34.0 2.0 53.8 33.7 30 53 A S H 3< S+ 0 0 7 -4,-2.4 4,-0.2 2,-0.2 -1,-0.2 0.769 106.9 44.0 -63.1 -27.4 2.7 54.8 37.3 31 54 A L H XX S+ 0 0 1 -3,-0.7 3,-1.9 -4,-0.7 4,-1.2 0.931 113.5 48.8 -81.4 -47.6 1.2 58.2 36.6 32 55 A L H 3< S+ 0 0 9 -4,-1.9 47,-0.5 1,-0.3 -2,-0.2 0.726 98.8 69.2 -64.1 -21.6 -1.8 56.9 34.7 33 56 A A T 3< S+ 0 0 19 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.754 109.0 36.4 -68.9 -20.5 -2.4 54.5 37.5 34 57 A R T <4 S- 0 0 164 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.653 130.9 -5.1-105.0 -19.1 -3.4 57.5 39.7 35 58 A S < - 0 0 25 -4,-1.2 -1,-0.3 65,-0.0 2,-0.1 -0.911 65.7-105.9-175.8 142.1 -5.1 59.7 37.2 36 59 A E - 0 0 62 -2,-0.3 2,-0.3 -3,-0.1 42,-0.2 -0.475 50.5-177.5 -67.6 144.5 -6.1 60.2 33.5 37 60 A L B -A 77 0A 7 40,-1.9 40,-3.0 -2,-0.1 2,-0.1 -0.988 26.5-115.4-148.9 157.4 -3.9 62.9 32.0 38 61 A C >> - 0 0 19 -2,-0.3 4,-2.1 38,-0.2 3,-0.5 -0.446 40.4-103.6 -85.4 167.2 -3.1 64.9 28.9 39 62 A V H 3> S+ 0 0 24 36,-0.4 4,-2.6 1,-0.2 5,-0.2 0.868 121.9 56.1 -58.8 -36.8 0.1 64.7 26.9 40 63 A G H 3> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 107.0 47.4 -65.0 -38.1 1.1 68.0 28.5 41 64 A D H <> S+ 0 0 58 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.877 113.6 48.7 -69.8 -40.3 0.7 66.8 32.0 42 65 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.895 109.4 52.0 -66.5 -42.5 2.7 63.6 31.2 43 66 A A H X>S+ 0 0 5 -4,-2.6 4,-2.1 -5,-0.2 5,-1.7 0.965 111.8 45.6 -59.3 -53.8 5.5 65.5 29.5 44 67 A Q H <5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.9 51.0 -55.9 -47.8 6.0 67.8 32.5 45 68 A A H <5S+ 0 0 39 -4,-2.0 62,-0.5 1,-0.2 -1,-0.2 0.786 118.8 37.8 -62.3 -31.3 5.9 65.0 35.1 46 69 A I H <5S- 0 0 35 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.637 107.4-127.6 -93.6 -18.3 8.5 63.0 33.2 47 70 A G T <5 + 0 0 64 -4,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.833 68.9 110.8 74.7 31.9 10.5 66.0 32.2 48 71 A V S - 0 0 70 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.396 30.8-127.6 -74.9 148.8 9.0 66.7 25.3 50 73 A E H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 113.9 60.1 -60.3 -32.4 5.3 66.3 24.4 51 74 A S H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.905 105.4 45.7 -60.8 -44.4 6.6 65.0 21.1 52 75 A A H > S+ 0 0 32 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 111.6 51.9 -67.0 -42.4 8.5 62.1 22.9 53 76 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.922 105.6 55.2 -61.5 -43.1 5.5 61.3 25.1 54 77 A S H X S+ 0 0 39 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.821 106.5 52.1 -58.7 -36.4 3.2 61.1 22.0 55 78 A H H X S+ 0 0 104 -4,-1.3 4,-1.7 -3,-0.2 -1,-0.2 0.935 111.4 44.9 -65.2 -49.3 5.5 58.5 20.5 56 79 A Q H X S+ 0 0 51 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.873 113.3 50.8 -62.7 -39.9 5.5 56.3 23.6 57 80 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.833 104.2 58.5 -67.2 -33.3 1.7 56.6 24.0 58 81 A R H X S+ 0 0 128 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.939 108.3 46.3 -59.6 -46.6 1.3 55.6 20.3 59 82 A S H X S+ 0 0 42 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.899 113.1 48.0 -63.2 -43.9 3.1 52.4 21.2 60 83 A L H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 6,-1.3 0.785 106.9 57.8 -68.4 -30.1 1.0 51.8 24.3 61 84 A R H ><5S+ 0 0 124 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.966 109.6 43.8 -65.7 -48.7 -2.2 52.5 22.5 62 85 A N H 3<5S+ 0 0 121 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.815 108.7 56.5 -67.8 -29.9 -1.5 49.7 20.0 63 86 A L T 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.438 114.1-120.5 -79.7 1.7 -0.3 47.3 22.7 64 87 A R T < 5S+ 0 0 184 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.838 81.9 119.0 60.6 36.5 -3.8 47.9 24.2 65 88 A L S - 0 0 36 -16,-0.3 4,-1.0 1,-0.0 3,-0.2 -0.895 69.9 -91.5-152.6-177.8 -8.7 48.6 32.1 82 105 A H H > S+ 0 0 141 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.788 114.4 68.4 -75.1 -25.1 -8.7 47.9 35.9 83 106 A H H > S+ 0 0 30 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.900 97.6 52.1 -59.4 -42.1 -6.6 44.7 35.4 84 107 A I H > S+ 0 0 3 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.918 111.3 47.4 -60.2 -43.1 -3.6 46.8 34.4 85 108 A V H X S+ 0 0 30 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.947 114.6 46.9 -62.6 -47.7 -4.0 48.9 37.5 86 109 A A H X S+ 0 0 17 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.891 112.9 46.5 -62.8 -44.1 -4.4 45.8 39.7 87 110 A L H X S+ 0 0 3 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.881 112.4 52.2 -69.6 -33.2 -1.4 43.9 38.2 88 111 A Y H X S+ 0 0 12 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.937 112.0 44.6 -65.6 -48.5 0.7 47.0 38.5 89 112 A Q H X S+ 0 0 73 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 114.8 48.6 -62.0 -45.7 -0.1 47.6 42.2 90 113 A N H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.828 108.9 52.0 -63.6 -37.4 0.4 43.9 43.1 91 114 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.925 113.2 46.7 -64.2 -42.2 3.7 43.6 41.3 92 115 A L H X S+ 0 0 22 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.876 111.2 50.3 -66.5 -42.9 4.8 46.7 43.3 93 116 A D H X S+ 0 0 52 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.901 109.4 51.6 -64.7 -42.4 3.5 45.3 46.6 94 117 A H H X S+ 0 0 3 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.932 108.7 51.7 -59.3 -47.0 5.3 42.0 46.0 95 118 A L H >< S+ 0 0 53 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.895 110.8 46.9 -57.3 -43.6 8.6 43.8 45.4 96 119 A Q H 3< S+ 0 0 142 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.9 51.5 -70.2 -31.5 8.4 45.8 48.6 97 120 A E H 3< 0 0 127 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.561 360.0 360.0 -83.3 -6.4 7.5 42.8 50.7 98 121 A C << 0 0 60 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.607 360.0 360.0-119.4 360.0 10.5 40.9 49.4 99 !* 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 0.0 100 20 B A 0 0 143 0, 0.0 3,-0.2 0, 0.0 -63,-0.0 0.000 360.0 360.0 360.0 -47.7 -7.2 68.1 38.5 101 21 B I + 0 0 83 1,-0.1 3,-0.4 2,-0.1 4,-0.2 0.207 360.0 115.8-108.2 16.7 -4.5 66.4 40.6 102 22 B A S > S+ 0 0 27 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.810 72.1 56.2 -53.4 -36.0 -1.9 66.5 37.9 103 23 B S T 3 S+ 0 0 97 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.916 102.2 53.4 -65.0 -46.2 0.4 68.8 40.0 104 24 B E T 3 S+ 0 0 153 -3,-0.4 2,-0.4 2,-0.0 -1,-0.2 0.335 90.9 106.7 -73.6 6.9 0.6 66.6 43.0 105 25 B L < + 0 0 12 -3,-1.0 2,-0.4 -4,-0.2 -74,-0.1 -0.778 41.1 176.0 -99.9 132.4 1.8 63.6 40.9 106 26 B Q - 0 0 175 -2,-0.4 2,-0.1 -76,-0.1 -60,-0.1 -0.969 28.3-123.3-127.4 140.7 5.3 62.2 40.7 107 27 B A - 0 0 16 -62,-0.5 -80,-0.1 -2,-0.4 -79,-0.1 -0.379 43.9 -82.7 -77.1 161.2 6.4 59.2 38.7 108 28 B I - 0 0 29 -81,-0.2 -1,-0.1 -82,-0.2 -78,-0.1 -0.314 59.1 -88.5 -63.5 148.9 8.1 56.2 40.4 109 29 B A > - 0 0 34 1,-0.1 4,-2.6 -3,-0.1 3,-0.5 -0.271 33.2-117.8 -57.8 144.8 11.8 56.6 41.0 110 30 B P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.841 116.1 52.7 -54.7 -35.7 14.1 55.4 38.1 111 31 B E H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.855 110.6 47.0 -70.4 -36.3 15.7 52.8 40.4 112 32 B V H > S+ 0 0 56 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.888 110.4 53.0 -71.3 -37.8 12.2 51.5 41.3 113 33 B A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.871 107.9 52.1 -64.0 -34.2 11.2 51.4 37.6 114 34 B Q H X S+ 0 0 94 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.911 110.0 47.0 -68.9 -41.7 14.3 49.3 36.9 115 35 B S H X S+ 0 0 61 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.903 112.8 49.3 -64.1 -44.5 13.5 46.7 39.6 116 36 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.887 109.3 53.1 -62.8 -38.3 9.9 46.5 38.4 117 37 B A H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.907 109.3 48.3 -63.5 -43.0 11.1 46.0 34.8 118 38 B E H X S+ 0 0 112 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.816 107.6 56.0 -66.6 -34.4 13.4 43.2 35.8 119 39 B F H X S+ 0 0 15 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.941 109.1 45.8 -63.5 -46.9 10.6 41.5 37.8 120 40 B F H >X S+ 0 0 2 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.862 107.6 58.5 -65.1 -33.7 8.4 41.5 34.7 121 41 B A H >< S+ 0 0 51 -4,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.903 100.9 55.9 -61.2 -42.7 11.2 40.2 32.6 122 42 B V H 3< S+ 0 0 29 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.789 107.4 49.9 -59.6 -30.0 11.6 37.2 34.8 123 43 B L H << S+ 0 0 2 -4,-0.9 2,-2.2 -3,-0.5 -1,-0.3 0.582 83.6 93.4 -86.2 -11.5 7.9 36.4 34.2 124 44 B A << + 0 0 33 -3,-1.1 -1,-0.2 -4,-0.7 -110,-0.1 -0.260 63.4 102.7 -80.4 56.6 8.3 36.7 30.4 125 45 B D >> - 0 0 48 -2,-2.2 4,-2.2 1,-0.1 3,-0.5 -0.950 62.5-150.8-142.6 115.7 8.9 32.9 30.1 126 46 B P H 3> S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.873 97.7 51.3 -52.8 -44.5 6.3 30.4 28.9 127 47 B N H 3> S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.815 110.2 48.2 -65.2 -36.3 7.6 27.5 30.9 128 48 B R H <> S+ 0 0 51 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.892 111.7 51.7 -70.0 -38.8 7.6 29.5 34.2 129 49 B L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.900 106.9 51.4 -65.1 -42.0 4.1 30.6 33.4 130 50 B R H X S+ 0 0 58 -4,-2.4 4,-0.8 1,-0.2 -125,-0.2 0.903 112.8 47.6 -62.5 -38.2 2.8 27.1 32.8 131 51 B L H >X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 3,-0.6 0.906 112.0 48.1 -67.6 -45.5 4.3 26.1 36.2 132 52 B L H 3X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.884 104.3 61.9 -62.1 -38.0 2.9 29.1 38.0 133 53 B S H 3< S+ 0 0 6 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.766 106.2 45.5 -59.4 -30.5 -0.6 28.4 36.5 134 54 B L H XX S+ 0 0 1 -4,-0.8 3,-1.5 -3,-0.6 4,-1.0 0.920 112.5 49.7 -78.1 -44.4 -0.7 25.0 38.2 135 55 B L H 3< S+ 0 0 10 -4,-1.8 47,-0.4 1,-0.3 -2,-0.2 0.716 98.2 69.5 -65.8 -22.9 0.5 26.4 41.6 136 56 B A T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.755 109.2 34.8 -67.7 -21.6 -2.1 29.1 41.3 137 57 B R T <4 S+ 0 0 181 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.603 131.0 1.8-107.5 -16.6 -4.8 26.4 41.9 138 58 B S < - 0 0 51 -4,-1.0 -1,-0.3 2,-0.0 2,-0.3 -0.915 65.7-111.2-172.1 142.4 -3.0 24.1 44.2 139 59 B E - 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 42,-0.2 -0.612 50.9-177.1 -74.4 133.5 0.2 23.5 46.2 140 60 B L B -C 180 0B 20 40,-1.6 40,-3.0 -2,-0.3 2,-0.1 -0.956 26.9-118.5-138.0 161.2 1.9 20.5 44.6 141 61 B C >> - 0 0 16 -2,-0.3 4,-2.3 38,-0.2 3,-0.5 -0.463 39.8-104.3 -89.6 164.4 4.9 18.2 44.8 142 62 B V H 3> S+ 0 0 24 36,-0.5 4,-2.7 1,-0.2 5,-0.2 0.863 121.7 57.4 -58.5 -35.2 7.6 17.9 42.1 143 63 B G H 3> S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 108.3 45.5 -63.9 -37.7 6.0 14.6 41.0 144 64 B D H <> S+ 0 0 75 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.922 113.9 48.5 -70.7 -45.8 2.6 16.2 40.4 145 65 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.906 111.2 51.1 -61.6 -41.7 4.1 19.1 38.5 146 66 B A H X>S+ 0 0 6 -4,-2.7 4,-1.9 -5,-0.2 5,-1.5 0.936 110.6 48.1 -62.6 -46.6 6.2 16.8 36.4 147 67 B Q H <5S+ 0 0 167 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.2 48.6 -61.8 -41.5 3.3 14.7 35.4 148 68 B A H <5S+ 0 0 41 -4,-2.1 -144,-0.3 1,-0.2 -1,-0.2 0.884 117.7 39.8 -67.7 -40.1 1.1 17.6 34.5 149 69 B I H <5S- 0 0 33 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.682 106.6-125.7 -82.9 -19.8 3.7 19.3 32.4 150 70 B G T <5 + 0 0 66 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.856 69.9 108.3 77.4 36.3 5.0 16.0 30.8 151 71 B V S - 0 0 71 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.358 33.1-123.6 -74.2 153.9 11.1 14.8 34.2 153 73 B E H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 114.4 61.8 -62.1 -32.0 11.1 15.6 37.9 154 74 B S H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 103.6 46.1 -59.3 -47.2 14.7 16.5 37.3 155 75 B A H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 111.7 51.5 -64.0 -42.6 13.7 19.3 34.9 156 76 B V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.923 107.0 53.9 -62.7 -43.4 11.0 20.6 37.2 157 77 B S H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.910 107.2 51.9 -56.5 -44.0 13.4 20.8 40.1 158 78 B H H X S+ 0 0 100 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.928 112.3 44.4 -58.2 -49.6 15.8 22.9 38.0 159 79 B Q H X S+ 0 0 53 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.868 112.8 52.1 -63.4 -39.6 13.1 25.4 37.1 160 80 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.851 102.2 59.5 -65.6 -35.5 11.8 25.5 40.7 161 81 B R H X S+ 0 0 130 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.920 107.7 47.0 -58.3 -42.6 15.3 26.2 41.9 162 82 B S H X S+ 0 0 39 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.932 112.4 47.6 -66.0 -47.6 15.2 29.3 39.8 163 83 B L H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 6,-1.2 0.836 108.7 55.6 -63.6 -35.0 11.7 30.4 41.0 164 84 B R H ><5S+ 0 0 129 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.955 111.9 43.2 -62.6 -49.0 12.7 29.8 44.6 165 85 B N H 3<5S+ 0 0 122 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.821 109.6 55.8 -66.4 -34.4 15.7 32.2 44.3 166 86 B L T 3<5S- 0 0 63 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.435 114.2-121.2 -76.7 1.8 13.6 34.7 42.3 167 87 B R T < 5S+ 0 0 137 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.790 81.8 118.6 60.5 32.4 11.2 34.7 45.3 168 88 B L S -D 177 0B 100 3,-2.1 3,-1.2 -2,-0.5 2,-0.8 -0.831 65.0 -70.1-126.0 80.1 4.8 17.7 55.4 175 95 B G T 3 S+ 0 0 81 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.525 120.3 2.4 77.0-107.4 6.5 14.5 56.5 176 96 B R T 3 S+ 0 0 229 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.3 0.477 122.0 73.7 -93.2 -5.1 7.9 12.7 53.4 177 97 B H E < - D 0 174B 87 -3,-1.2 -3,-2.1 -36,-0.0 2,-0.5 -0.813 62.3-147.2-117.5 155.9 6.8 15.3 50.9 178 98 B V E - D 0 173B 60 -2,-0.3 2,-0.5 -5,-0.2 -36,-0.5 -0.976 19.6-161.7-118.5 114.5 7.8 18.8 49.8 179 99 B Y E - D 0 172B 44 -7,-2.6 -7,-1.4 -2,-0.5 2,-0.3 -0.893 4.1-152.3-102.2 125.7 4.9 20.9 48.6 180 100 B Y E +CD 140 171B 35 -40,-3.0 -40,-1.6 -2,-0.5 2,-0.3 -0.672 20.6 168.6 -93.5 149.7 5.6 24.0 46.4 181 101 B Q E - D 0 170B 46 -11,-2.3 -11,-2.7 -2,-0.3 -45,-0.1 -0.953 41.5 -77.7-152.3 164.3 3.3 27.0 46.5 182 102 B L E - D 0 169B 20 -47,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.432 41.6-120.2 -69.0 144.1 3.3 30.6 45.2 183 103 B Q S S- 0 0 66 -15,-2.6 2,-0.3 1,-0.1 -14,-0.1 0.829 81.0 -24.5 -51.5 -44.7 5.3 33.1 47.3 184 104 B D > - 0 0 34 -16,-0.3 4,-1.1 1,-0.0 3,-0.5 -0.959 67.2 -89.2-159.8 179.2 2.3 35.3 48.1 185 105 B H H > S+ 0 0 142 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.755 114.8 68.0 -71.3 -24.0 -1.2 36.4 47.1 186 106 B H H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.905 98.4 51.5 -62.9 -37.9 0.2 39.2 45.0 187 107 B I H > S+ 0 0 2 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.910 111.5 46.5 -64.7 -42.3 1.7 36.7 42.6 188 108 B V H X S+ 0 0 34 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.942 114.7 49.0 -64.1 -45.0 -1.7 35.0 42.2 189 109 B A H X S+ 0 0 14 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.919 112.0 45.2 -62.4 -47.3 -3.4 38.4 41.8 190 110 B L H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.863 112.7 53.4 -68.2 -30.6 -1.1 39.7 39.2 191 111 B Y H X S+ 0 0 13 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.935 112.2 42.8 -66.4 -48.3 -1.2 36.5 37.3 192 112 B Q H X S+ 0 0 72 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.921 113.4 51.8 -65.2 -46.4 -5.0 36.4 37.1 193 113 B N H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 109.9 48.4 -59.9 -40.3 -5.3 40.1 36.2 194 114 B A H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.887 113.0 49.7 -65.9 -37.9 -2.9 39.8 33.4 195 115 B L H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.904 111.2 47.5 -67.0 -44.0 -4.8 36.7 32.1 196 116 B D H X S+ 0 0 50 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.921 109.4 54.8 -64.1 -43.1 -8.2 38.5 32.3 197 117 B H H < S+ 0 0 13 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 106.8 51.4 -56.0 -47.8 -6.7 41.5 30.5 198 118 B L H < S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.3 44.9 -58.7 -40.6 -5.6 39.3 27.7 199 119 B Q H < 0 0 145 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.861 360.0 360.0 -73.9 -34.5 -9.0 37.7 27.2 200 120 B E < 0 0 160 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.970 360.0 360.0 -88.2 360.0 -11.0 40.9 27.5