==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-FEB-11 3QWG . COMPND 2 MOLECULE: ESX-1 SECRETION-ASSOCIATED REGULATOR ESPR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR B.BLASCO,F.POJER,S.T.COLE . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 69.4 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.3 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 0 0 1 1 3 3 0 0 1 0 0 1 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 . 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 4 A T 0 0 93 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.3 10.4 -10.0 0.5 2 5 A T > - 0 0 52 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.182 360.0-108.1 -73.2 166.0 13.2 -10.0 -2.1 3 6 A F H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 118.0 52.9 -60.8 -43.4 13.1 -8.2 -5.4 4 7 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 108.5 48.7 -61.1 -43.8 12.7 -11.4 -7.4 5 8 A A H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 113.5 47.9 -63.4 -42.1 9.7 -12.6 -5.3 6 9 A R H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.920 112.9 47.5 -64.6 -44.1 8.1 -9.2 -5.7 7 10 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.934 112.2 49.4 -63.8 -44.2 8.7 -9.1 -9.5 8 11 A N H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.858 106.5 57.9 -62.9 -34.6 7.4 -12.7 -9.8 9 12 A R H X S+ 0 0 71 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.935 105.6 49.0 -57.6 -47.0 4.4 -11.6 -7.8 10 13 A L H >X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.9 0.920 108.5 53.0 -60.9 -44.9 3.6 -8.9 -10.4 11 14 A F H 3< S+ 0 0 2 -4,-2.2 11,-0.3 1,-0.2 -1,-0.2 0.882 112.6 46.5 -55.6 -37.8 4.0 -11.4 -13.3 12 15 A D H 3< S+ 0 0 23 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.591 125.0 27.4 -80.8 -13.8 1.4 -13.6 -11.4 13 16 A T H << S+ 0 0 6 -3,-0.9 2,-0.7 -4,-0.9 -2,-0.2 0.607 107.8 64.0-127.5 -18.3 -1.1 -10.8 -10.7 14 17 A V S < S+ 0 0 13 -4,-2.9 8,-0.4 -5,-0.2 -1,-0.2 -0.886 71.7 108.9-116.4 101.2 -0.9 -8.0 -13.3 15 18 A Y S S- 0 0 52 -2,-0.7 3,-0.0 6,-0.1 4,-0.0 -0.982 74.0 -73.4-162.2 164.4 -1.8 -9.2 -16.7 16 19 A P >> - 0 0 35 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.470 50.8-124.7 -67.8 123.6 -4.6 -9.0 -19.4 17 20 A P T 34 S+ 0 0 72 0, 0.0 74,-0.0 0, 0.0 73,-0.0 -0.358 98.6 27.6 -65.4 149.3 -7.6 -11.0 -18.2 18 21 A G T 34 S+ 0 0 92 1,-0.1 96,-0.0 75,-0.1 0, 0.0 0.938 122.7 58.3 55.3 40.0 -8.6 -13.5 -20.9 19 22 A R T <4 S- 0 0 127 -3,-0.7 -1,-0.1 96,-0.1 -4,-0.0 -0.081 93.9-137.6-144.5 -71.8 -5.0 -13.6 -22.0 20 23 A G < - 0 0 10 -4,-2.0 96,-0.1 94,-0.1 -8,-0.0 -0.729 43.4 -20.3 130.4 174.1 -2.8 -14.6 -19.0 21 24 A P S S- 0 0 8 0, 0.0 -6,-0.1 0, 0.0 -9,-0.1 -0.132 70.7-108.3 -51.6 142.5 0.5 -13.6 -17.4 22 25 A H - 0 0 29 -8,-0.4 2,-0.2 -11,-0.3 -8,-0.1 -0.438 30.3-123.1 -65.4 148.5 2.9 -11.8 -19.6 23 26 A T > - 0 0 12 1,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.579 22.9-113.8 -82.7 157.1 6.0 -13.7 -20.7 24 27 A S H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 120.0 57.9 -53.9 -40.8 9.4 -12.2 -19.9 25 28 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 101.9 52.7 -58.6 -42.3 9.8 -11.8 -23.7 26 29 A E H > S+ 0 0 56 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.863 108.9 50.6 -61.9 -38.4 6.6 -9.6 -23.9 27 30 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.936 109.7 49.0 -65.2 -47.0 8.0 -7.4 -21.2 28 31 A I H X S+ 0 0 33 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 113.9 47.4 -57.5 -43.0 11.4 -7.0 -23.0 29 32 A A H X S+ 0 0 58 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.892 111.4 50.0 -64.7 -42.3 9.5 -6.2 -26.2 30 33 A A H X S+ 0 0 33 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.901 112.3 47.7 -64.5 -42.6 7.2 -3.7 -24.4 31 34 A L H ><>S+ 0 0 1 -4,-2.9 5,-2.4 1,-0.2 3,-1.6 0.928 109.3 53.6 -60.4 -47.0 10.2 -2.0 -22.8 32 35 A K H ><5S+ 0 0 165 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.890 101.8 59.4 -56.4 -38.4 11.9 -1.9 -26.2 33 36 A A H 3<5S+ 0 0 90 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.716 106.5 49.1 -63.3 -19.4 8.9 -0.1 -27.7 34 37 A E T <<5S- 0 0 134 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.124 125.8 -97.6-107.1 17.8 9.4 2.7 -25.1 35 38 A G T < 5S+ 0 0 72 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.570 84.3 129.7 81.9 9.6 13.1 3.1 -25.8 36 39 A I < - 0 0 52 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.874 44.8-153.1-106.5 124.0 14.2 1.0 -22.9 37 40 A T + 0 0 138 -2,-0.5 2,-0.3 -3,-0.1 -8,-0.1 -0.820 22.8 160.0 -99.1 126.5 16.8 -1.8 -23.4 38 41 A M - 0 0 15 -2,-0.5 -6,-0.1 -10,-0.2 2,-0.1 -0.969 33.8-127.4-144.4 127.2 16.8 -4.9 -21.2 39 42 A S > - 0 0 61 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.389 14.9-127.9 -74.9 151.5 18.5 -8.2 -22.1 40 43 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 110.9 53.4 -63.3 -44.0 16.5 -11.4 -21.8 41 44 A P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.846 107.9 50.5 -59.9 -34.3 19.3 -12.9 -19.7 42 45 A Y H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.940 108.2 50.7 -72.1 -43.9 19.2 -10.0 -17.3 43 46 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.905 111.7 49.3 -57.1 -40.9 15.4 -10.2 -16.8 44 47 A S H X S+ 0 0 44 -4,-2.1 4,-1.7 2,-0.2 6,-0.3 0.895 109.9 51.3 -65.6 -41.0 15.8 -14.0 -16.1 45 48 A Q H X>S+ 0 0 71 -4,-2.0 5,-1.8 2,-0.2 6,-1.6 0.911 111.2 47.9 -60.1 -43.6 18.6 -13.2 -13.6 46 49 A L H ><5S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.937 114.1 46.0 -61.7 -48.3 16.3 -10.7 -11.8 47 50 A R H 3<5S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.749 115.5 46.5 -65.3 -26.1 13.4 -13.2 -11.7 48 51 A S H 3<5S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.2 50,-0.2 0.427 111.8-113.8-100.1 -1.1 15.6 -16.1 -10.5 49 52 A G T <<5S+ 0 0 27 -3,-0.8 -3,-0.2 -4,-0.7 3,-0.2 0.610 84.0 119.4 80.0 12.4 17.4 -14.2 -7.8 50 53 A N S - 0 0 62 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.174 29.3-105.5 -67.5 168.6 19.2 0.1 -10.4 56 59 A G H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 121.1 54.6 -59.4 -42.1 16.6 2.7 -10.0 57 60 A A H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 108.7 48.1 -64.5 -40.3 16.1 3.0 -13.7 58 61 A T H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 112.0 47.3 -64.1 -50.7 15.4 -0.7 -14.0 59 62 A M H X S+ 0 0 26 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.916 113.2 51.0 -59.0 -42.0 12.9 -0.8 -11.2 60 63 A A H X S+ 0 0 40 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.919 109.1 50.0 -59.8 -45.0 11.2 2.2 -12.7 61 64 A A H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.914 115.1 42.8 -61.8 -45.8 11.0 0.6 -16.1 62 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 113.9 51.8 -67.0 -43.3 9.5 -2.6 -14.7 63 66 A A H <>S+ 0 0 1 -4,-3.0 5,-2.3 -5,-0.2 4,-0.4 0.919 108.7 51.3 -59.0 -44.1 7.2 -0.6 -12.5 64 67 A N H ><5S+ 0 0 103 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.930 107.9 52.1 -60.7 -42.8 6.0 1.4 -15.4 65 68 A F H 3<5S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.908 114.9 41.0 -59.0 -44.9 5.2 -1.7 -17.4 66 69 A F T 3<5S- 0 0 5 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.394 113.1-121.6 -82.9 4.2 3.1 -3.1 -14.6 67 70 A R T < 5S+ 0 0 226 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.937 72.1 115.2 51.6 55.1 1.6 0.4 -13.9 68 71 A I S - 0 0 143 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.580 30.7-124.5 -75.7 145.4 5.1 2.8 -8.3 70 73 A A T >> S+ 0 0 32 1,-0.3 3,-2.4 -2,-0.2 4,-0.7 0.678 102.9 84.8 -65.0 -15.6 8.6 1.4 -7.8 71 74 A A H 3> S+ 0 0 33 1,-0.3 4,-2.5 2,-0.2 8,-0.4 0.685 74.1 75.8 -57.1 -17.3 8.0 1.8 -4.1 72 75 A Y H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.856 99.7 41.2 -59.6 -35.7 6.3 -1.6 -4.5 73 76 A F H <4 S+ 0 0 14 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.685 126.1 32.2 -83.5 -20.6 9.9 -3.0 -4.7 74 77 A T H < S+ 0 0 100 -4,-0.7 2,-0.5 1,-0.2 -2,-0.2 0.540 104.9 67.6-120.7 -11.3 11.4 -0.8 -1.9 75 78 A D X - 0 0 58 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 -0.941 55.9-163.1-123.2 110.7 8.7 -0.1 0.7 76 79 A D H > S+ 0 0 88 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.925 91.0 47.3 -56.0 -53.4 7.4 -3.1 2.8 77 80 A E H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 116.9 44.4 -54.5 -51.0 4.2 -1.4 4.1 78 81 A Y H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.915 111.1 53.6 -61.8 -47.0 3.3 -0.2 0.6 79 82 A Y H X S+ 0 0 20 -4,-3.1 4,-3.0 -8,-0.4 5,-0.2 0.923 109.1 48.6 -53.4 -49.6 4.2 -3.5 -1.1 80 83 A E H X S+ 0 0 102 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.892 115.5 41.9 -64.4 -42.7 1.9 -5.5 1.2 81 84 A K H X S+ 0 0 159 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.939 118.1 45.6 -69.8 -47.5 -1.1 -3.2 0.9 82 85 A L H X S+ 0 0 31 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.896 107.4 57.2 -64.6 -42.4 -0.7 -2.7 -2.9 83 86 A D H X S+ 0 0 15 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.918 109.0 48.4 -53.6 -42.5 -0.1 -6.4 -3.5 84 87 A K H X S+ 0 0 133 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.902 111.1 48.6 -65.5 -43.0 -3.5 -7.0 -1.9 85 88 A E H X S+ 0 0 120 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.882 111.7 50.3 -62.9 -38.6 -5.2 -4.3 -4.0 86 89 A L H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.927 107.7 53.1 -66.7 -45.0 -3.7 -5.8 -7.2 87 90 A Q H X S+ 0 0 69 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.883 112.3 46.0 -52.4 -43.1 -4.9 -9.3 -6.2 88 91 A W H X S+ 0 0 151 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.891 111.6 49.2 -72.1 -42.1 -8.4 -7.9 -5.8 89 92 A L H X S+ 0 0 73 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.840 106.5 60.0 -63.8 -31.1 -8.3 -5.9 -9.0 90 93 A C H < S+ 0 0 29 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.947 107.5 42.7 -62.5 -48.4 -7.0 -9.1 -10.7 91 94 A T H < S+ 0 0 105 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.7 54.0 -64.2 -35.8 -10.2 -11.0 -9.7 92 95 A M H < 0 0 110 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.867 360.0 360.0 -64.1 -37.9 -12.2 -7.9 -10.7 93 96 A R < 0 0 113 -4,-2.3 -75,-0.1 -5,-0.1 -3,-0.0 -0.200 360.0 360.0 -63.7 360.0 -10.7 -7.9 -14.2 94 !* 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 95 4 B T 0 0 102 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.5 22.1 -22.6 -14.8 96 5 B T > - 0 0 56 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.105 360.0-114.4 -74.1 164.9 20.1 -22.5 -11.5 97 6 B F H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 115.7 53.0 -63.2 -43.4 16.9 -24.3 -10.6 98 7 B A H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 108.6 50.1 -56.2 -46.2 14.9 -21.0 -10.4 99 8 B A H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 113.4 45.1 -63.3 -41.8 16.1 -20.0 -13.8 100 9 B R H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.878 112.5 51.1 -72.1 -39.0 15.0 -23.3 -15.4 101 10 B L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.945 112.3 46.1 -59.5 -48.4 11.7 -23.3 -13.6 102 11 B N H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.832 107.5 58.5 -65.3 -32.2 10.9 -19.8 -14.8 103 12 B R H X S+ 0 0 66 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.926 105.8 49.6 -58.3 -46.9 12.0 -20.8 -18.3 104 13 B L H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-1.1 0.935 108.0 52.6 -59.6 -46.2 9.3 -23.5 -18.2 105 14 B F H 3< S+ 0 0 2 -4,-2.1 11,-0.3 1,-0.2 -1,-0.2 0.863 112.9 46.0 -56.2 -34.7 6.7 -21.0 -17.0 106 15 B D H 3< S+ 0 0 26 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.573 124.6 29.7 -84.2 -11.5 7.7 -18.8 -20.0 107 16 B T H << S+ 0 0 12 -3,-1.1 2,-0.6 -4,-0.9 77,-0.2 0.568 108.0 62.5-129.2 -15.4 7.7 -21.6 -22.6 108 17 B V < + 0 0 29 -4,-2.8 8,-0.4 -5,-0.2 -1,-0.2 -0.898 70.0 108.0-120.6 102.8 5.2 -24.3 -21.6 109 18 B Y S S- 0 0 67 -2,-0.6 -3,-0.0 6,-0.1 -4,-0.0 -0.972 73.6 -73.5-161.2 167.6 1.6 -23.2 -21.5 110 19 B P >> - 0 0 37 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.534 49.8-127.3 -71.6 123.2 -1.7 -23.5 -23.4 111 20 B P T 34 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 73,-0.0 -0.317 96.5 32.3 -66.2 154.8 -1.6 -21.5 -26.6 112 21 B G T 34 S+ 0 0 92 1,-0.2 2,-0.0 0, 0.0 0, 0.0 0.757 124.2 54.0 62.0 15.4 -4.5 -19.1 -26.9 113 22 B R T <4 S- 0 0 118 -3,-1.4 -1,-0.2 -4,-0.0 3,-0.0 0.086 95.1-132.4-124.7 -86.2 -4.4 -18.8 -23.2 114 23 B G < - 0 0 10 -4,-1.0 -92,-0.1 -3,-0.1 -94,-0.1 -0.851 43.1 -24.8 149.9 176.5 -1.0 -17.8 -21.9 115 24 B P - 0 0 7 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.059 68.1-108.2 -51.2 144.3 1.6 -18.8 -19.2 116 25 B H - 0 0 27 -8,-0.4 2,-0.2 -11,-0.3 -8,-0.1 -0.457 28.8-125.5 -66.4 147.6 0.3 -20.6 -16.1 117 26 B T > - 0 0 14 -2,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.586 24.7-111.6 -83.3 157.4 0.2 -18.7 -12.8 118 27 B S H > S+ 0 0 15 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.885 120.0 58.5 -51.9 -39.7 2.0 -20.3 -9.8 119 28 B A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 101.5 52.7 -65.0 -36.9 -1.5 -20.7 -8.4 120 29 B E H > S+ 0 0 57 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.875 109.9 49.5 -62.1 -40.0 -2.6 -22.9 -11.3 121 30 B V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.934 109.0 50.9 -64.1 -48.4 0.4 -25.1 -10.8 122 31 B I H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 10,-0.2 0.921 113.8 46.7 -51.6 -45.8 -0.3 -25.5 -7.1 123 32 B A H X S+ 0 0 56 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.869 109.6 51.7 -67.7 -39.8 -3.9 -26.4 -7.9 124 33 B A H X S+ 0 0 32 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.894 110.8 49.0 -65.3 -37.8 -2.9 -28.9 -10.7 125 34 B L H ><>S+ 0 0 5 -4,-2.4 5,-3.0 2,-0.2 3,-0.7 0.903 108.1 53.5 -67.3 -42.8 -0.5 -30.6 -8.3 126 35 B K H ><5S+ 0 0 161 -4,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.911 104.4 55.5 -56.3 -43.2 -3.2 -30.8 -5.6 127 36 B A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.784 106.8 51.8 -59.5 -26.7 -5.5 -32.5 -8.2 128 37 B E T <<5S- 0 0 147 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.350 125.2-105.4 -90.4 4.3 -2.6 -35.0 -8.5 129 38 B G T < 5S+ 0 0 67 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.658 80.7 131.6 78.6 16.8 -2.6 -35.5 -4.7 130 39 B I < - 0 0 61 -5,-3.0 2,-0.7 -6,-0.1 -1,-0.3 -0.909 46.2-151.0-106.7 125.1 0.6 -33.5 -4.4 131 40 B T + 0 0 140 -2,-0.5 2,-0.4 -3,-0.1 -8,-0.1 -0.849 27.0 157.0 -98.7 114.8 0.8 -30.8 -1.7 132 41 B M - 0 0 18 -2,-0.7 2,-0.2 -10,-0.2 -6,-0.1 -0.996 35.0-130.1-133.2 130.9 3.1 -27.9 -2.4 133 42 B S > - 0 0 61 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.511 14.4-125.6 -81.1 150.4 2.5 -24.6 -0.7 134 43 B A H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 110.0 55.4 -59.3 -42.8 2.4 -21.3 -2.7 135 44 B P H > S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.912 107.4 49.5 -60.2 -40.2 5.1 -19.7 -0.5 136 45 B Y H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.933 111.3 48.1 -63.1 -46.8 7.5 -22.6 -1.3 137 46 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.931 112.4 50.0 -57.3 -45.6 6.8 -22.4 -5.0 138 47 B S H X S+ 0 0 44 -4,-2.8 4,-1.7 1,-0.2 6,-0.3 0.918 110.8 49.6 -57.6 -46.5 7.4 -18.6 -4.8 139 48 B Q H <>S+ 0 0 70 -4,-2.6 5,-1.8 -5,-0.2 6,-1.6 0.852 112.3 48.1 -61.2 -36.7 10.7 -19.2 -2.9 140 49 B L H ><5S+ 0 0 1 -4,-2.3 3,-0.6 4,-0.2 -2,-0.2 0.903 112.6 47.3 -72.3 -40.4 11.8 -21.7 -5.5 141 50 B R H 3<5S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.777 114.6 47.1 -69.2 -28.5 11.0 -19.4 -8.5 142 51 B S T 3<5S- 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -138,-0.2 0.423 113.0-115.4 -97.2 0.9 12.7 -16.4 -6.8 143 52 B G T < 5S+ 0 0 25 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.644 79.4 126.9 73.9 15.5 15.8 -18.4 -5.9 144 53 B N S - 0 0 60 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.254 26.5-101.8 -73.5 166.0 13.8 -32.6 -3.4 150 59 B G H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 124.8 53.6 -51.4 -43.8 13.5 -35.3 -6.0 151 60 B A H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 108.4 47.8 -61.3 -43.7 9.7 -35.3 -5.3 152 61 B T H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.940 113.9 46.8 -63.6 -46.8 9.4 -31.6 -5.9 153 62 B M H X S+ 0 0 30 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.915 112.9 48.9 -62.5 -44.8 11.3 -31.7 -9.1 154 63 B A H X S+ 0 0 39 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.899 110.5 52.0 -60.8 -42.2 9.3 -34.7 -10.4 155 64 B A H X S+ 0 0 6 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.917 114.5 41.3 -59.9 -47.0 6.0 -33.0 -9.5 156 65 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 113.4 53.8 -70.6 -40.3 6.9 -29.9 -11.4 157 66 B A H X>S+ 0 0 1 -4,-2.8 5,-2.5 -5,-0.2 4,-0.5 0.914 108.4 49.8 -59.9 -42.1 8.4 -31.8 -14.3 158 67 B N H ><5S+ 0 0 117 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.900 107.9 53.9 -66.2 -41.1 5.2 -33.9 -14.7 159 68 B F H 3<5S+ 0 0 47 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.938 115.9 38.0 -55.5 -47.4 3.1 -30.7 -14.8 160 69 B F H 3<5S- 0 0 5 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.455 113.1-122.1 -86.1 1.8 5.2 -29.2 -17.6 161 70 B R T <<5S+ 0 0 231 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.879 71.4 116.2 57.1 46.9 5.5 -32.7 -19.2 162 71 B I S - 0 0 143 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.563 33.5-118.1 -77.6 150.8 11.8 -35.2 -17.5 164 73 B A T >> S+ 0 0 35 1,-0.3 3,-2.2 -2,-0.2 4,-0.8 0.660 107.7 82.4 -63.9 -12.8 13.3 -33.9 -14.2 165 74 B A H 3> S+ 0 0 27 1,-0.3 4,-3.4 2,-0.2 8,-0.3 0.707 71.8 78.7 -64.9 -18.3 16.6 -34.1 -15.9 166 75 B Y H <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.837 101.2 38.4 -53.6 -32.9 15.6 -30.7 -17.4 167 76 B F H <4 S+ 0 0 14 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.756 129.2 28.6 -89.3 -26.7 16.6 -29.4 -14.0 168 77 B T H < S+ 0 0 96 -4,-0.8 2,-0.5 1,-0.2 -2,-0.2 0.565 108.9 66.4-115.5 -14.1 19.7 -31.6 -13.3 169 78 B D X - 0 0 48 -4,-3.4 4,-1.9 -5,-0.2 -1,-0.2 -0.948 57.6-162.4-122.2 114.2 21.1 -32.4 -16.7 170 79 B D H > S+ 0 0 95 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.888 89.3 51.6 -62.0 -43.0 22.5 -29.6 -18.9 171 80 B E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 111.9 45.6 -69.0 -37.9 22.5 -31.4 -22.2 172 81 B Y H > S+ 0 0 24 -7,-0.2 4,-3.0 2,-0.2 5,-0.3 0.868 113.2 52.9 -69.4 -36.9 18.8 -32.5 -21.9 173 82 B Y H X S+ 0 0 37 -4,-1.9 4,-3.1 -8,-0.3 5,-0.3 0.961 111.8 42.4 -61.3 -54.2 18.0 -28.9 -20.8 174 83 B E H X S+ 0 0 118 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.942 118.2 47.6 -59.5 -46.7 19.6 -27.2 -23.8 175 84 B K H X S+ 0 0 125 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.951 118.0 39.4 -58.5 -52.9 18.2 -29.8 -26.1 176 85 B L H X S+ 0 0 29 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.868 107.9 60.7 -71.9 -37.5 14.7 -29.7 -24.8 177 86 B D H X S+ 0 0 22 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.897 105.6 49.7 -57.2 -41.4 14.5 -25.9 -24.2 178 87 B K H X S+ 0 0 124 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.921 112.5 45.0 -63.4 -46.1 15.1 -25.3 -28.0 179 88 B E H X S+ 0 0 125 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.823 112.6 52.5 -71.6 -30.2 12.4 -27.8 -29.1 180 89 B L H X S+ 0 0 30 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.921 110.3 48.6 -66.1 -45.2 10.0 -26.4 -26.5 181 90 B Q H < S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.947 114.2 45.6 -58.4 -48.4 10.6 -22.9 -27.8 182 91 B W H < S+ 0 0 182 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.890 103.3 64.0 -67.8 -39.4 10.1 -23.9 -31.4 183 92 B L H < 0 0 148 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.952 360.0 360.0 -45.3 -64.3 6.9 -25.9 -30.6 184 93 B C < 0 0 98 -4,-1.4 -3,-0.1 -77,-0.2 -76,-0.1 0.745 360.0 360.0 -76.8 360.0 5.0 -22.8 -29.5