==== 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 REGULATOR 02-SEP-09 3IWF . COMPND 2 MOLECULE: TRANSCRIPTION REGULATOR RPIR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR A.J.STEIN,A.SATHER,M.BOROVILOS,M.BARGASSA,A.JOACHIMIAK,MIDWE . 179 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 62.0 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 . 4 2.2 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 46.4 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 1 1 0 0 4 0 2 2 2 0 0 0 0 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 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 1 A X 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 -4.3 2.4 9.9 2 2 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.184 360.0-164.0 -62.4 156.3 -4.6 3.5 13.5 3 3 A N > - 0 0 52 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.879 10.9-162.6-146.6 110.2 -1.6 4.4 15.6 4 4 A I H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.850 92.9 51.9 -63.1 -35.3 -1.9 4.6 19.4 5 5 A L H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 108.8 51.6 -68.9 -40.5 1.3 6.6 19.8 6 6 A Y H > S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.913 112.3 47.8 -56.5 -45.7 0.1 9.2 17.2 7 7 A K H X S+ 0 0 74 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.946 113.1 45.6 -62.0 -51.9 -3.1 9.5 19.2 8 8 A I H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 111.2 53.1 -62.3 -43.2 -1.5 9.9 22.6 9 9 A D H < S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.8 41.3 -56.2 -44.5 1.0 12.4 21.3 10 10 A N H < S+ 0 0 105 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.710 118.2 44.4 -83.3 -21.2 -1.7 14.6 19.8 11 11 A Q H >< S+ 0 0 77 -4,-2.0 3,-1.9 -5,-0.2 4,-0.4 0.681 91.2 91.5 -87.1 -22.2 -4.2 14.3 22.7 12 12 A Y G >< S+ 0 0 57 -4,-2.1 3,-1.9 1,-0.3 -2,-0.1 0.783 71.2 64.8 -43.7 -44.8 -1.5 14.8 25.3 13 13 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 103.5 48.3 -61.6 -18.9 -1.8 18.6 25.7 14 14 A Y G < S+ 0 0 202 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.0 0.470 88.5 106.9 -99.0 -2.7 -5.3 18.4 27.1 15 15 A F S < S- 0 0 13 -3,-1.9 -3,-0.0 -4,-0.4 0, 0.0 -0.292 77.5-101.2 -69.6 157.8 -4.6 15.7 29.7 16 16 A T > - 0 0 77 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.209 40.4 -97.1 -68.1 168.3 -4.4 16.5 33.4 17 17 A K H > S+ 0 0 188 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.931 126.7 44.4 -54.0 -46.0 -1.0 16.8 35.1 18 18 A N H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 112.1 50.8 -69.6 -41.3 -1.2 13.2 36.3 19 19 A E H > S+ 0 0 39 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.886 108.8 54.1 -59.6 -39.9 -2.5 11.8 33.0 20 20 A K H X S+ 0 0 62 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.888 104.4 54.1 -62.1 -40.9 0.4 13.7 31.3 21 21 A K H X S+ 0 0 85 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.932 113.6 41.9 -60.1 -43.1 3.0 12.0 33.6 22 22 A I H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.939 116.3 48.1 -68.9 -46.9 1.6 8.6 32.6 23 23 A A H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.892 109.0 53.0 -62.7 -40.7 1.3 9.4 28.9 24 24 A Q H X S+ 0 0 100 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.908 108.3 52.2 -62.6 -41.1 4.8 10.9 28.7 25 25 A F H X S+ 0 0 14 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.926 110.6 47.4 -58.9 -45.3 6.1 7.6 30.2 26 26 A I H < S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.6 46.0 -60.3 -45.4 4.3 5.6 27.6 27 27 A L H < S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 119.4 40.4 -67.8 -34.6 5.5 7.8 24.8 28 28 A N H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.747 128.8 27.1 -88.0 -25.7 9.1 7.9 26.0 29 29 A Y X + 0 0 88 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 -0.366 69.1 146.5-133.3 53.2 9.5 4.2 27.1 30 30 A P H > S+ 0 0 1 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.853 76.9 50.4 -65.4 -30.7 7.0 2.3 24.9 31 31 A H H 4 S+ 0 0 37 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.930 110.9 47.9 -69.7 -45.0 9.3 -0.8 24.8 32 32 A K H >4 S+ 0 0 60 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.910 106.3 60.0 -61.5 -40.5 9.7 -0.8 28.5 33 33 A V H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.837 91.2 66.0 -58.2 -37.5 5.9 -0.5 29.1 34 34 A V T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.664 106.3 42.6 -68.4 -13.8 4.9 -3.6 27.2 35 35 A N T < S+ 0 0 92 -3,-1.4 2,-0.4 -4,-0.4 -1,-0.3 -0.007 99.2 92.9-120.2 30.4 6.6 -5.8 29.8 36 36 A X < - 0 0 19 -3,-1.9 2,-0.1 4,-0.0 -3,-0.0 -0.936 68.7-130.6-119.1 142.8 5.4 -4.0 32.9 37 37 A T > - 0 0 59 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.455 32.0-109.8 -76.7 162.8 2.4 -4.5 35.1 38 38 A S H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 14,-0.1 0.825 120.4 55.2 -63.8 -30.5 0.3 -1.5 35.9 39 39 A Q H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 105.6 51.6 -69.4 -39.4 1.5 -1.7 39.5 40 40 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.898 110.6 47.8 -62.8 -42.3 5.1 -1.5 38.3 41 41 A I H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.926 109.6 54.4 -65.4 -42.3 4.3 1.6 36.3 42 42 A A H X>S+ 0 0 3 -4,-2.2 5,-2.9 1,-0.2 4,-0.5 0.888 109.0 46.8 -57.2 -43.8 2.5 3.2 39.2 43 43 A N H ><5S+ 0 0 124 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.906 111.0 52.2 -65.9 -40.6 5.5 2.8 41.5 44 44 A Q H 3<5S+ 0 0 93 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 118.6 36.4 -62.7 -38.0 7.9 4.1 38.9 45 45 A L H 3<5S- 0 0 22 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.330 109.7-118.5-100.5 5.0 5.8 7.2 38.4 46 46 A E T <<5S+ 0 0 171 -3,-0.7 2,-0.2 -4,-0.5 -3,-0.2 0.935 78.3 107.6 54.1 49.3 4.7 7.7 42.0 47 47 A T S - 0 0 54 -2,-0.2 4,-1.3 1,-0.1 5,-0.1 -0.572 25.3-125.4 -96.3 157.0 -1.7 4.5 41.7 49 49 A S H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.904 113.4 58.3 -59.9 -42.9 -2.3 1.3 39.6 50 50 A T H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.912 101.9 53.5 -52.2 -47.7 -5.9 2.5 39.2 51 51 A S H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 106.7 51.9 -57.6 -38.0 -4.6 5.7 37.5 52 52 A I H X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.941 112.7 46.6 -64.6 -43.3 -2.6 3.7 35.0 53 53 A I H X S+ 0 0 46 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 110.8 51.3 -62.6 -47.2 -5.7 1.7 34.2 54 54 A R H X S+ 0 0 149 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.904 111.8 45.9 -61.6 -41.8 -8.0 4.8 33.9 55 55 A L H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.924 110.9 53.8 -71.6 -36.7 -5.7 6.5 31.5 56 56 A S H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 7,-0.3 0.916 110.2 47.1 -54.8 -46.3 -5.3 3.3 29.5 57 57 A K H < S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.803 108.1 57.5 -67.7 -28.5 -9.1 3.1 29.2 58 58 A K H < S+ 0 0 103 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 113.9 36.8 -67.4 -38.3 -9.2 6.7 28.2 59 59 A V H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.729 129.4 20.6 -91.6 -22.0 -6.9 6.2 25.2 60 60 A T S >< S- 0 0 1 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 -0.986 71.7-129.1-147.8 138.4 -8.0 2.8 24.0 61 61 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.843 106.5 54.5 -56.7 -37.7 -11.3 1.0 24.7 62 62 A G T 3> S- 0 0 39 1,-0.2 4,-1.1 -6,-0.1 3,-0.4 0.286 98.6-148.5 -81.6 8.4 -9.7 -2.3 25.9 63 63 A G H <> - 0 0 3 -3,-2.1 4,-2.7 -7,-0.3 -1,-0.2 -0.160 55.9 -10.5 66.4-149.4 -7.6 -0.5 28.6 64 64 A F H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 133.9 49.7 -61.7 -47.0 -4.2 -1.6 29.7 65 65 A N H > S+ 0 0 122 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.923 115.7 45.4 -54.9 -44.5 -4.0 -5.0 28.1 66 66 A E H X S+ 0 0 63 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.873 107.6 56.8 -73.0 -34.9 -5.1 -3.5 24.8 67 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.934 110.4 45.4 -55.9 -48.0 -2.6 -0.6 25.2 68 68 A K H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 112.2 51.4 -65.8 -39.7 0.2 -3.1 25.5 69 69 A T H X S+ 0 0 79 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.958 112.9 45.4 -57.3 -51.6 -1.1 -5.1 22.5 70 70 A R H >< S+ 0 0 62 -4,-2.9 3,-0.7 1,-0.2 4,-0.4 0.904 112.1 51.2 -61.6 -43.4 -1.3 -2.0 20.4 71 71 A L H >< S+ 0 0 1 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.898 101.5 62.6 -58.7 -41.4 2.2 -0.8 21.4 72 72 A S H >< S+ 0 0 5 -4,-2.2 3,-1.3 1,-0.3 16,-0.6 0.778 91.7 65.0 -61.0 -27.9 3.6 -4.1 20.6 73 73 A K T << S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.704 103.9 47.1 -63.1 -23.3 2.7 -3.7 16.9 74 74 A F T < S+ 0 0 44 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.260 97.7 89.4-104.6 9.0 5.1 -0.7 16.7 75 75 A L S < S- 0 0 6 -3,-1.3 13,-0.3 -4,-0.2 26,-0.1 -0.618 92.0 -75.9-100.7 165.3 8.0 -2.5 18.4 76 76 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.282 46.7-116.8 -61.6 141.4 10.7 -4.6 16.7 77 77 A K - 0 0 109 10,-0.1 2,-0.4 11,-0.1 10,-0.2 -0.446 31.2-125.2 -70.7 152.1 9.8 -8.1 15.6 78 78 A E B -A 86 0A 55 8,-2.7 8,-2.5 -2,-0.1 2,-0.2 -0.811 19.5-107.3-107.1 146.2 11.7 -10.9 17.3 79 79 A V - 0 0 20 -2,-0.4 3,-0.2 6,-0.2 -1,-0.0 -0.501 26.1-171.5 -71.4 130.9 13.7 -13.6 15.6 80 80 A T S S+ 0 0 97 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.882 75.0 22.2 -86.7 -49.0 12.0 -17.0 15.8 81 81 A Q - 0 0 48 2,-0.1 2,-1.0 0, 0.0 -1,-0.3 -0.986 67.0-146.5-127.6 127.7 14.9 -19.1 14.5 82 82 A Y 0 0 154 -2,-0.4 -3,-0.0 -3,-0.2 0, 0.0 -0.786 360.0 360.0 -91.4 94.7 18.6 -18.2 14.5 83 83 A N 0 0 193 -2,-1.0 -2,-0.1 0, 0.0 0, 0.0 -0.925 360.0 360.0-109.2 360.0 19.9 -19.8 11.3 84 ! 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 85 97 A N 0 0 111 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.000 360.0 360.0 360.0 154.5 10.1 -13.2 12.8 86 98 A K B -A 78 0A 120 -8,-2.5 -8,-2.7 1,-0.1 3,-0.1 -0.854 360.0 -77.8-128.9 162.9 7.2 -12.8 15.3 87 99 A L - 0 0 102 -2,-0.3 -10,-0.1 -10,-0.2 -14,-0.1 -0.265 61.7 -93.3 -54.2 138.7 5.3 -10.0 17.1 88 100 A H - 0 0 20 -16,-0.6 -1,-0.1 -13,-0.3 -11,-0.1 -0.310 51.2-101.1 -54.1 139.1 7.2 -8.4 19.9 89 101 A S 0 0 49 -3,-0.1 -1,-0.1 -54,-0.0 -55,-0.1 -0.091 360.0 360.0 -55.7 158.0 6.4 -10.1 23.3 90 102 A R 0 0 79 -3,-0.1 -55,-0.2 -55,-0.1 -56,-0.1 -0.952 360.0 360.0-149.3 360.0 4.0 -8.5 25.8 91 !* 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 92 1 B X 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.9 24.6 4.2 33.2 93 2 B P - 0 0 102 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.252 360.0-165.1 -67.6 155.1 23.7 4.7 29.6 94 3 B N > - 0 0 56 1,-0.1 4,-2.0 2,-0.0 5,-0.1 -0.932 11.0-161.3-144.1 112.2 22.5 1.7 27.5 95 4 B I H > S+ 0 0 0 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.849 93.9 51.7 -65.5 -34.2 22.4 2.1 23.7 96 5 B L H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 108.2 52.7 -69.9 -40.0 20.1 -0.9 23.2 97 6 B Y H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.915 111.5 47.7 -56.0 -44.9 17.7 0.6 25.8 98 7 B K H X S+ 0 0 74 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.949 112.8 46.0 -61.3 -52.7 17.7 3.8 23.8 99 8 B I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 111.2 53.0 -62.4 -44.6 17.2 2.2 20.4 100 9 B D H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.5 41.6 -53.6 -45.1 14.3 -0.1 21.7 101 10 B N H < S+ 0 0 8 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.696 118.2 44.3 -84.3 -19.2 12.4 2.9 23.2 102 11 B Q H >< S+ 0 0 74 -4,-1.8 3,-1.8 -3,-0.2 4,-0.4 0.675 90.7 91.8 -88.8 -19.9 13.0 5.3 20.2 103 12 B Y G >< S+ 0 0 17 -4,-2.0 3,-1.8 1,-0.3 -2,-0.1 0.785 71.6 64.5 -46.0 -45.3 12.2 2.6 17.6 104 13 B P G 3 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.746 104.4 46.8 -60.9 -20.4 8.5 3.2 17.2 105 14 B Y G < S+ 0 0 97 -3,-1.8 -2,-0.2 -100,-0.0 -3,-0.0 0.467 88.3 107.6 -98.9 -4.0 9.0 6.8 15.8 106 15 B F S < S- 0 0 11 -3,-1.8 2,-0.0 -4,-0.4 -3,-0.0 -0.268 76.9-101.2 -68.3 158.8 11.7 5.9 13.3 107 16 B T > - 0 0 79 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.281 40.5 -96.8 -69.2 169.6 11.0 5.8 9.5 108 17 B K H > S+ 0 0 194 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.910 126.4 44.3 -55.0 -47.3 10.4 2.5 7.8 109 18 B N H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 112.8 50.9 -66.8 -42.4 14.1 2.3 6.6 110 19 B E H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.890 109.1 52.6 -61.3 -40.5 15.4 3.4 10.0 111 20 B K H X S+ 0 0 44 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.890 105.4 54.0 -62.9 -40.6 13.3 0.7 11.6 112 21 B K H X S+ 0 0 82 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.929 113.9 42.4 -57.6 -45.2 14.7 -2.0 9.3 113 22 B I H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.941 116.1 47.7 -67.4 -47.8 18.2 -1.0 10.4 114 23 B A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.873 108.9 53.4 -63.3 -40.6 17.4 -0.6 14.1 115 24 B Q H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.908 108.4 51.3 -61.6 -40.0 15.6 -4.0 14.2 116 25 B F H X S+ 0 0 14 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.926 110.9 47.8 -62.1 -45.2 18.7 -5.7 12.7 117 26 B I H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 115.0 45.5 -60.3 -43.6 20.9 -4.0 15.4 118 27 B L H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 119.5 40.3 -69.2 -34.5 18.5 -5.0 18.2 119 28 B N H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.740 128.8 27.8 -88.5 -24.8 18.1 -8.6 16.9 120 29 B Y X + 0 0 63 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 -0.342 68.8 146.2-132.8 53.5 21.7 -9.3 15.9 121 30 B P H > S+ 0 0 30 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.828 76.9 50.0 -65.9 -31.9 23.8 -7.1 18.1 122 31 B H H > S+ 0 0 101 2,-0.2 4,-0.5 1,-0.2 3,-0.4 0.927 110.5 49.4 -68.5 -44.1 26.7 -9.6 18.2 123 32 B K H >4 S+ 0 0 93 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.911 106.9 57.9 -59.6 -42.3 26.7 -10.0 14.4 124 33 B V H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.852 92.8 65.0 -58.6 -38.3 26.8 -6.2 14.0 125 34 B V H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.709 107.7 42.1 -67.1 -17.5 30.0 -5.5 16.0 126 35 B N T << S+ 0 0 73 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.3 -0.019 101.2 88.8-116.4 30.8 32.0 -7.5 13.4 127 36 B X < - 0 0 20 -3,-2.0 2,-0.2 55,-0.1 -3,-0.0 -0.928 69.0-129.8-120.4 149.9 30.4 -6.1 10.3 128 37 B T > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.505 32.1-109.5 -84.2 164.2 31.1 -3.1 8.2 129 38 B S H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.875 121.9 55.1 -63.1 -33.0 28.4 -0.6 7.3 130 39 B Q H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 107.2 50.0 -65.6 -40.0 28.6 -1.9 3.7 131 40 B E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 112.1 46.4 -64.0 -42.9 28.0 -5.4 4.9 132 41 B I H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 111.5 52.9 -65.1 -43.1 25.0 -4.4 7.0 133 42 B A H X>S+ 0 0 3 -4,-2.7 5,-2.2 1,-0.2 4,-0.6 0.910 109.0 48.7 -57.4 -45.6 23.7 -2.4 4.0 134 43 B N H ><5S+ 0 0 136 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.892 110.3 51.8 -64.6 -38.4 24.0 -5.5 1.7 135 44 B Q H 3<5S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.8 37.9 -60.3 -37.4 22.2 -7.7 4.2 136 45 B L H 3<5S- 0 0 22 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.320 106.1-118.6-102.5 6.3 19.3 -5.2 4.5 137 46 B E T <<5S+ 0 0 175 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.924 79.0 108.9 49.7 49.6 19.0 -4.0 0.9 138 47 B T S - 0 0 53 -2,-0.3 4,-1.5 1,-0.1 3,-0.2 -0.608 21.6-132.8 -90.7 145.8 22.5 2.0 1.6 140 49 B S H > S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.892 110.5 58.4 -55.3 -40.0 25.7 2.2 3.6 141 50 B T H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.891 102.4 52.6 -59.9 -38.1 25.0 6.0 4.0 142 51 B S H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 108.8 50.3 -66.9 -34.5 21.6 5.2 5.6 143 52 B I H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.927 112.6 46.7 -64.2 -44.8 23.3 2.9 8.2 144 53 B I H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 112.2 50.5 -65.6 -44.0 25.8 5.6 9.0 145 54 B R H X S+ 0 0 147 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.924 111.2 47.4 -58.7 -44.8 23.1 8.2 9.3 146 55 B L H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.917 110.7 53.5 -64.6 -40.6 21.0 6.0 11.6 147 56 B S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 7,-0.3 0.930 109.8 46.5 -58.0 -47.2 24.2 5.4 13.7 148 57 B K H < S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 107.6 59.2 -66.1 -30.4 24.8 9.1 14.1 149 58 B K H < S+ 0 0 104 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.872 114.7 34.6 -63.0 -38.3 21.2 9.7 15.0 150 59 B V H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.709 132.5 18.4 -94.7 -19.7 21.5 7.3 18.0 151 60 B T S >< S- 0 0 0 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.3 -0.967 70.4-132.1-152.9 132.8 25.1 8.1 19.1 152 61 B P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.819 103.9 59.4 -62.7 -31.8 27.2 11.1 18.2 153 62 B G T 3> S- 0 0 41 1,-0.2 4,-0.9 -6,-0.1 3,-0.4 0.378 98.5-148.8 -73.7 3.0 30.3 9.1 17.2 154 63 B G H <> - 0 0 2 -3,-2.1 4,-2.5 -7,-0.3 -1,-0.2 -0.212 51.9 -11.1 68.2-150.8 28.3 7.2 14.5 155 64 B F H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 133.8 47.0 -62.7 -48.4 28.9 3.7 13.3 156 65 B N H > S+ 0 0 115 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.906 115.1 48.1 -62.3 -37.5 32.2 2.9 15.0 157 66 B E H X S+ 0 0 68 -4,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.863 106.8 57.1 -69.3 -36.6 31.0 4.3 18.3 158 67 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.944 108.8 46.5 -55.4 -47.8 27.7 2.3 17.9 159 68 B K H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.885 111.4 51.8 -65.7 -37.1 29.9 -0.9 17.7 160 69 B T H X S+ 0 0 60 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.936 112.3 45.4 -61.7 -48.2 32.0 0.2 20.7 161 70 B R H >< S+ 0 0 59 -4,-2.9 3,-0.9 1,-0.2 4,-0.4 0.930 111.7 51.7 -63.3 -44.0 28.9 0.8 22.8 162 71 B L H >< S+ 0 0 2 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.888 100.9 63.2 -56.7 -39.1 27.3 -2.5 21.7 163 72 B S H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.3 17,-0.6 0.800 90.4 66.5 -63.7 -26.0 30.5 -4.4 22.6 164 73 B K T << S+ 0 0 126 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.708 104.3 45.6 -63.1 -22.3 30.0 -3.4 26.3 165 74 B F T < S+ 0 0 94 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.253 98.8 89.0-106.8 10.1 26.9 -5.5 26.4 166 75 B L S < S- 0 0 24 -3,-1.5 14,-0.3 -4,-0.2 -3,-0.0 -0.626 92.7 -77.1-100.8 165.5 28.4 -8.5 24.6 167 76 B P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.289 47.6-117.6 -62.1 143.2 30.2 -11.4 26.2 168 77 B K - 0 0 132 11,-0.1 2,-0.3 12,-0.1 11,-0.2 -0.451 30.3-123.8 -74.0 156.9 33.7 -10.8 27.4 169 78 B E B -B 178 0B 72 9,-2.9 9,-2.5 -2,-0.1 2,-0.2 -0.785 24.1-100.1-108.3 148.7 36.4 -12.9 25.7 170 79 B V - 0 0 56 -2,-0.3 3,-0.2 7,-0.2 -1,-0.0 -0.457 25.9-167.2 -70.3 131.2 38.9 -15.2 27.4 171 80 B T S S+ 0 0 92 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.887 76.3 11.8 -84.2 -40.9 42.4 -13.7 27.7 172 81 B Q - 0 0 49 2,-0.1 2,-1.2 0, 0.0 -1,-0.3 -0.992 67.8-137.2-143.0 127.8 44.2 -16.8 28.6 173 82 B Y + 0 0 194 -2,-0.4 2,-0.5 -3,-0.2 -3,-0.0 -0.732 36.9 169.1 -85.2 91.8 43.0 -20.4 28.4 174 83 B N 0 0 141 -2,-1.2 -2,-0.1 0, 0.0 0, 0.0 -0.926 360.0 360.0-112.5 126.0 44.4 -21.8 31.7 175 84 B V 0 0 201 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.478 360.0 360.0 -75.3 360.0 43.2 -25.3 32.9 176 ! 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 0.0 177 97 B N 0 0 126 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 0.000 360.0 360.0 360.0 164.1 38.4 -11.7 30.4 178 98 B K B -B 169 0B 109 -9,-2.5 -9,-2.9 1,-0.1 3,-0.1 -0.889 360.0 -78.3-130.7 156.5 38.5 -8.8 27.9 179 99 B L - 0 0 52 -2,-0.3 -11,-0.1 -11,-0.2 -15,-0.1 -0.234 61.4 -96.1 -51.7 134.2 36.0 -6.5 26.1 180 100 B H - 0 0 14 -17,-0.6 -1,-0.1 -14,-0.3 -12,-0.1 -0.220 48.6 -99.3 -53.2 140.8 34.4 -8.2 23.1 181 101 B S 0 0 53 1,-0.1 -1,-0.1 -3,-0.1 -56,-0.0 -0.140 360.0 360.0 -57.1 153.6 36.2 -7.5 19.8 182 102 B R 0 0 135 -3,-0.1 -1,-0.1 -56,-0.1 -55,-0.1 0.202 360.0 360.0-124.9 360.0 34.8 -4.9 17.4