==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-APR-11 3REM . COMPND 2 MOLECULE: SALICYLATE BIOSYNTHESIS PROTEIN PCHB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.OLUCHA,A.N.OUELLETTE,Q.LUO,A.L.LAMB . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 82.0 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 . 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 68.0 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+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 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 2 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 2 A K 0 0 154 0, 0.0 5,-0.1 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 147.6 14.1 -26.7 4.8 2 3 A T >> - 0 0 42 1,-0.1 4,-1.0 2,-0.0 3,-0.9 -0.284 360.0-102.7 -65.9 162.0 10.5 -25.3 4.9 3 4 A P T 34 S+ 0 0 6 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.857 125.9 47.8 -55.3 -35.2 10.1 -21.8 6.3 4 5 A E T 34 S+ 0 0 130 1,-0.2 -2,-0.0 3,-0.0 127,-0.0 0.634 107.8 54.5 -84.2 -14.2 8.8 -23.3 9.6 5 6 A D T <4 S+ 0 0 100 -3,-0.9 2,-0.3 6,-0.0 -1,-0.2 0.545 81.3 112.1 -88.9 -10.0 11.7 -25.9 9.8 6 7 A C < - 0 0 2 -4,-1.0 3,-0.1 -3,-0.3 4,-0.0 -0.491 51.5-165.3 -64.6 123.3 14.3 -23.0 9.5 7 8 A T - 0 0 113 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.690 63.3 -27.3 -87.7 -16.5 16.1 -22.8 12.9 8 9 A G S > S- 0 0 17 1,-0.0 4,-2.1 0, 0.0 3,-0.2 -0.923 86.1 -58.1-170.9-166.7 17.6 -19.4 12.2 9 10 A L H > S+ 0 0 41 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.821 122.3 63.5 -66.1 -30.0 18.9 -16.9 9.6 10 11 A A H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.962 109.8 39.7 -55.4 -50.9 21.4 -19.4 8.2 11 12 A D H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 117.1 49.5 -62.1 -49.8 18.6 -21.6 7.1 12 13 A I H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 113.0 47.3 -54.1 -49.4 16.4 -18.7 6.0 13 14 A R H X S+ 0 0 74 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.808 107.4 55.2 -70.1 -32.6 19.2 -17.2 3.9 14 15 A E H X S+ 0 0 145 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.921 112.7 43.8 -60.2 -43.2 20.2 -20.5 2.3 15 16 A A H X S+ 0 0 16 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 113.6 49.6 -71.1 -43.0 16.5 -20.8 1.0 16 17 A I H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.939 110.4 50.8 -60.2 -46.5 16.3 -17.2 -0.0 17 18 A D H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.878 111.5 48.8 -57.1 -42.4 19.6 -17.5 -2.0 18 19 A R H X S+ 0 0 126 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.920 111.8 48.0 -63.7 -46.2 18.3 -20.6 -3.7 19 20 A I H X S+ 0 0 18 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.922 113.5 47.4 -62.9 -43.8 15.0 -18.9 -4.7 20 21 A D H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.930 111.1 50.9 -65.8 -42.3 16.8 -15.8 -6.0 21 22 A L H X S+ 0 0 28 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.938 108.5 52.8 -59.8 -44.3 19.2 -17.9 -8.0 22 23 A D H X S+ 0 0 72 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.899 109.4 49.7 -52.2 -43.6 16.2 -19.8 -9.5 23 24 A I H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.944 110.3 49.0 -64.7 -47.3 14.8 -16.4 -10.5 24 25 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.925 111.2 50.0 -58.0 -44.7 18.0 -15.3 -12.1 25 26 A Q H X S+ 0 0 79 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.877 111.8 49.0 -62.3 -38.8 18.2 -18.6 -14.0 26 27 A A H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.877 109.5 50.7 -64.9 -45.3 14.6 -18.2 -15.2 27 28 A L H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.892 110.6 51.3 -60.7 -38.2 15.2 -14.6 -16.3 28 29 A G H X S+ 0 0 4 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.939 113.2 42.8 -62.8 -48.6 18.3 -15.9 -18.3 29 30 A R H X S+ 0 0 100 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.844 107.6 61.6 -67.1 -32.7 16.2 -18.6 -20.0 30 31 A R H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 3,-0.4 0.945 100.6 54.7 -54.4 -47.5 13.4 -16.0 -20.5 31 32 A M H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.882 101.4 58.5 -54.5 -40.9 16.0 -14.1 -22.6 32 33 A D H X S+ 0 0 62 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.919 109.3 43.5 -54.1 -46.5 16.5 -17.2 -24.8 33 34 A Y H X S+ 0 0 23 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.865 110.1 56.0 -68.4 -36.9 12.8 -17.2 -25.7 34 35 A V H X S+ 0 0 6 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.891 110.9 44.3 -64.0 -38.8 12.7 -13.5 -26.3 35 36 A K H >< S+ 0 0 68 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.926 112.6 51.1 -69.4 -45.5 15.5 -13.7 -28.8 36 37 A A H >< S+ 0 0 12 -4,-2.2 3,-1.5 -5,-0.2 4,-0.3 0.848 101.1 65.5 -57.3 -35.2 13.9 -16.7 -30.5 37 38 A A H >< S+ 0 0 5 -4,-2.2 3,-2.4 1,-0.3 -1,-0.2 0.846 87.2 68.4 -53.3 -38.6 10.7 -14.6 -30.6 38 39 A S G X< S+ 0 0 2 -3,-0.9 3,-1.1 -4,-0.8 -1,-0.3 0.674 85.3 69.5 -63.5 -17.2 12.3 -12.2 -33.0 39 40 A R G < S+ 0 0 122 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.722 101.3 47.9 -64.4 -24.8 12.3 -15.0 -35.7 40 41 A F G < S+ 0 0 55 -3,-2.4 2,-0.6 -4,-0.3 -1,-0.2 0.025 85.5 104.5-110.4 23.7 8.5 -14.6 -35.8 41 42 A K < - 0 0 19 -3,-1.1 6,-0.1 1,-0.1 3,-0.1 -0.946 57.8-156.5-102.2 124.8 8.4 -10.8 -36.1 42 43 A A S S+ 0 0 109 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.781 78.0 0.2 -68.5 -32.7 7.6 -9.7 -39.6 43 44 A S S > S- 0 0 54 -3,-0.1 3,-0.5 1,-0.1 4,-0.3 -0.907 78.1-101.4-143.0 174.7 9.2 -6.4 -39.0 44 45 A E G > S+ 0 0 72 -2,-0.3 3,-1.5 1,-0.2 49,-0.1 0.849 120.8 60.3 -63.9 -35.1 11.1 -4.5 -36.3 45 46 A A G 3 S+ 0 0 87 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.709 93.7 64.4 -69.2 -20.1 7.9 -2.6 -35.7 46 47 A A G X S+ 0 0 38 -3,-0.5 3,-0.7 1,-0.2 -1,-0.3 0.668 83.4 85.9 -70.7 -17.4 6.1 -5.8 -34.8 47 48 A I T < S+ 0 0 4 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.907 80.8 50.3 -58.7 -54.7 8.5 -6.3 -31.8 48 49 A P T 3 S- 0 0 49 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.714 76.4-170.3 -60.9 -25.6 6.7 -4.3 -29.0 49 50 A A X> - 0 0 15 -3,-0.7 4,-1.7 -4,-0.3 3,-0.9 0.826 0.9-169.2 34.7 66.3 3.3 -6.0 -29.5 50 51 A P H 3> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.752 81.0 57.9 -57.4 -28.9 1.4 -3.7 -27.2 51 52 A E H 3> S+ 0 0 145 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.869 106.4 50.2 -68.7 -38.2 -1.8 -5.9 -27.3 52 53 A R H <> S+ 0 0 43 -3,-0.9 4,-2.1 2,-0.2 3,-0.2 0.906 110.4 47.9 -64.0 -44.8 0.3 -8.8 -26.0 53 54 A V H X S+ 0 0 10 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.906 108.4 56.3 -62.6 -40.8 1.8 -6.7 -23.1 54 55 A A H < S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.6 44.6 -60.6 -31.8 -1.8 -5.5 -22.2 55 56 A A H X S+ 0 0 59 -4,-1.1 4,-1.0 -3,-0.2 -1,-0.2 0.841 111.3 54.0 -80.1 -35.8 -2.9 -9.1 -21.9 56 57 A M H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.866 99.2 59.3 -66.3 -42.0 0.2 -10.2 -19.9 57 58 A L H X S+ 0 0 31 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.917 106.2 43.5 -66.2 -47.7 0.1 -7.6 -17.1 58 59 A P H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.846 112.2 57.6 -64.0 -31.3 -3.4 -8.4 -15.6 59 60 A E H X S+ 0 0 42 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.932 107.1 46.3 -60.5 -45.9 -2.5 -12.1 -15.9 60 61 A R H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.831 110.0 55.0 -66.8 -31.6 0.6 -11.5 -13.7 61 62 A A H X S+ 0 0 7 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.924 106.3 50.8 -64.4 -49.9 -1.6 -9.5 -11.3 62 63 A R H X S+ 0 0 120 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 109.3 51.1 -52.1 -46.6 -3.9 -12.5 -10.9 63 64 A W H X S+ 0 0 30 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.881 109.8 50.1 -61.8 -38.8 -0.9 -14.8 -10.2 64 65 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 3,-1.1 0.960 110.3 50.0 -58.2 -53.0 0.2 -12.3 -7.6 65 66 A E H ><5S+ 0 0 120 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.881 111.9 47.7 -52.5 -45.5 -3.3 -12.3 -6.0 66 67 A E H 3<5S+ 0 0 138 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.586 112.1 50.5 -74.5 -16.0 -3.4 -16.2 -6.0 67 68 A N T <<5S- 0 0 56 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.173 117.8-106.3-109.6 15.6 0.1 -16.4 -4.5 68 69 A G T < 5S+ 0 0 59 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.803 76.0 128.6 68.5 33.8 -0.6 -14.0 -1.6 69 70 A L S - 0 0 77 -2,-0.4 4,-1.8 1,-0.2 3,-0.2 -0.360 35.5-150.4 -53.9 111.4 0.5 -7.4 -3.4 71 72 A A H > S+ 0 0 14 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.867 90.1 55.4 -58.3 -44.3 -0.8 -7.3 -7.0 72 73 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.925 109.6 46.7 -56.3 -44.1 0.2 -3.7 -7.7 73 74 A F H > S+ 0 0 22 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.924 116.9 42.6 -64.7 -45.1 3.9 -4.3 -6.8 74 75 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.936 115.5 48.8 -66.0 -47.8 4.2 -7.5 -8.8 75 76 A E H X S+ 0 0 63 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.920 113.8 46.4 -58.8 -46.4 2.3 -6.2 -11.8 76 77 A G H X S+ 0 0 40 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.831 110.8 53.5 -66.8 -32.0 4.4 -3.0 -11.8 77 78 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.945 110.6 46.1 -66.4 -47.5 7.6 -5.1 -11.5 78 79 A F H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.832 106.2 59.3 -65.7 -33.2 6.6 -7.2 -14.5 79 80 A A H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.956 109.4 45.0 -53.9 -48.8 5.7 -4.0 -16.4 80 81 A Q H X S+ 0 0 91 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.925 116.4 46.0 -60.2 -47.3 9.4 -2.9 -15.9 81 82 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.957 113.2 47.3 -60.4 -54.1 10.7 -6.4 -16.8 82 83 A I H X S+ 0 0 7 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.938 113.1 47.9 -58.7 -49.7 8.6 -6.9 -19.9 83 84 A H H X S+ 0 0 103 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.864 111.1 53.4 -63.0 -28.9 9.4 -3.4 -21.3 84 85 A W H X S+ 0 0 44 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.942 109.0 47.1 -69.1 -49.7 13.1 -4.1 -20.5 85 86 A Y H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.859 110.2 54.4 -53.1 -41.8 13.1 -7.4 -22.5 86 87 A I H X S+ 0 0 25 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.949 108.7 48.4 -57.2 -48.5 11.3 -5.6 -25.4 87 88 A A H X S+ 0 0 51 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.899 112.4 48.9 -59.9 -38.9 14.1 -3.0 -25.4 88 89 A E H X S+ 0 0 50 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.886 108.6 53.6 -68.7 -36.6 16.6 -5.9 -25.5 89 90 A Q H X S+ 0 0 14 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.902 107.2 50.5 -65.8 -42.0 14.8 -7.6 -28.3 90 91 A I H X S+ 0 0 55 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.948 112.2 47.6 -57.9 -49.5 14.9 -4.4 -30.4 91 92 A K H X S+ 0 0 96 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 113.8 47.7 -57.2 -48.1 18.6 -4.2 -29.8 92 93 A Y H X S+ 0 0 77 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.903 110.7 51.1 -60.8 -44.4 19.1 -7.9 -30.6 93 94 A W H >< S+ 0 0 47 -4,-3.1 3,-0.9 1,-0.2 4,-0.5 0.971 112.7 46.4 -58.1 -52.2 17.0 -7.6 -33.8 94 95 A R H >< S+ 0 0 148 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.858 114.3 47.3 -57.2 -41.6 19.1 -4.6 -34.9 95 96 A Q H 3< S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.647 115.4 43.8 -78.3 -17.4 22.4 -6.3 -34.1 96 97 A T T << 0 0 73 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.224 360.0 360.0-116.3 10.8 21.6 -9.6 -35.8 97 98 A R < 0 0 153 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.0 -0.524 360.0 360.0-177.0 360.0 20.0 -8.5 -39.1 98 !* 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 99 2 B K 0 0 147 0, 0.0 5,-0.1 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 145.7 9.7 -26.7 -26.2 100 3 B T >> - 0 0 41 1,-0.1 4,-1.2 -68,-0.0 3,-1.1 -0.338 360.0-104.6 -67.1 157.6 13.2 -25.3 -26.3 101 4 B P T 34 S+ 0 0 7 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.897 124.2 49.3 -51.2 -42.6 13.6 -21.8 -27.7 102 5 B E T 34 S+ 0 0 125 1,-0.2 -69,-0.0 3,-0.0 -2,-0.0 0.667 109.2 51.9 -72.5 -19.9 15.0 -23.3 -31.0 103 6 B D T <4 S+ 0 0 98 -3,-1.1 -1,-0.2 6,-0.0 2,-0.1 0.591 80.4 115.4 -90.3 -15.1 12.2 -25.8 -31.3 104 7 B C < - 0 0 2 -4,-1.2 3,-0.1 -3,-0.5 -4,-0.0 -0.360 50.8-162.8 -56.5 129.6 9.5 -23.1 -31.0 105 8 B T - 0 0 108 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.424 63.4 -23.8-101.2 -0.9 7.5 -23.0 -34.2 106 9 B G S > S- 0 0 16 1,-0.1 4,-2.0 0, 0.0 3,-0.4 -0.970 84.3 -65.5 179.1-173.9 5.9 -19.6 -33.7 107 10 B L H > S+ 0 0 39 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.801 121.9 67.2 -64.2 -28.7 4.8 -17.0 -31.1 108 11 B A H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.937 108.8 38.2 -52.4 -48.2 2.2 -19.5 -29.8 109 12 B D H > S+ 0 0 28 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.906 115.8 52.2 -69.1 -45.8 5.1 -21.7 -28.5 110 13 B I H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.940 112.2 45.8 -54.8 -53.5 7.3 -18.7 -27.4 111 14 B R H X S+ 0 0 75 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.821 107.4 57.3 -64.4 -35.2 4.4 -17.2 -25.3 112 15 B E H X S+ 0 0 142 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.935 112.2 42.2 -58.1 -44.3 3.5 -20.5 -23.8 113 16 B A H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.883 114.1 50.8 -72.8 -38.2 7.1 -20.8 -22.5 114 17 B I H X S+ 0 0 12 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.937 110.2 49.3 -66.1 -44.8 7.3 -17.2 -21.4 115 18 B D H X S+ 0 0 33 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.894 111.2 50.9 -57.9 -42.6 4.0 -17.5 -19.5 116 19 B R H X S+ 0 0 116 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.904 112.4 46.7 -58.8 -43.3 5.4 -20.6 -17.8 117 20 B I H X S+ 0 0 17 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 112.8 47.7 -66.3 -49.1 8.6 -18.8 -16.8 118 21 B D H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.907 111.4 52.4 -60.7 -41.3 6.8 -15.7 -15.5 119 22 B L H X S+ 0 0 32 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.964 107.8 50.8 -58.0 -50.4 4.4 -18.0 -13.5 120 23 B D H X S+ 0 0 70 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.875 110.2 51.5 -52.5 -38.3 7.4 -19.8 -12.0 121 24 B I H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.935 110.6 45.9 -67.7 -46.8 8.9 -16.4 -11.0 122 25 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.922 113.0 51.3 -59.6 -44.1 5.6 -15.2 -9.3 123 26 B Q H X S+ 0 0 79 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.935 111.2 47.9 -58.6 -46.2 5.4 -18.6 -7.5 124 27 B A H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.846 110.1 50.7 -60.8 -41.8 9.1 -18.2 -6.3 125 28 B L H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.891 109.7 53.8 -63.8 -38.6 8.4 -14.6 -5.1 126 29 B G H X S+ 0 0 7 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.920 112.1 41.7 -57.1 -47.7 5.4 -16.1 -3.3 127 30 B R H X S+ 0 0 100 -4,-2.3 4,-1.5 1,-0.2 3,-0.4 0.891 109.1 59.9 -70.4 -36.6 7.5 -18.7 -1.5 128 31 B R H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.866 100.1 57.4 -56.0 -37.6 10.3 -16.1 -0.9 129 32 B M H X S+ 0 0 5 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.877 101.0 55.7 -63.8 -39.6 7.7 -14.1 1.1 130 33 B D H X S+ 0 0 67 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.2 0.910 110.1 46.1 -55.6 -43.1 7.1 -17.1 3.4 131 34 B Y H X S+ 0 0 20 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.854 110.0 53.5 -71.0 -37.2 10.8 -17.2 4.2 132 35 B V H X S+ 0 0 5 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.902 111.0 45.9 -63.2 -41.4 11.0 -13.4 4.7 133 36 B K H >< S+ 0 0 64 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.915 111.4 51.6 -70.1 -38.9 8.1 -13.6 7.3 134 37 B A H >< S+ 0 0 15 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.833 100.9 64.4 -63.3 -33.2 9.7 -16.5 9.0 135 38 B A H >< S+ 0 0 6 -4,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.836 89.3 69.9 -54.3 -34.3 12.9 -14.5 9.2 136 39 B S G X< S+ 0 0 4 -4,-0.8 3,-1.9 -3,-0.8 -1,-0.2 0.754 84.0 64.8 -63.6 -30.1 11.2 -12.0 11.5 137 40 B R G < S+ 0 0 117 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.1 0.523 102.1 54.2 -70.1 -3.7 10.9 -14.4 14.5 138 41 B F G < S+ 0 0 65 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.116 94.8 89.3-112.4 16.4 14.8 -14.1 14.4 139 42 B K < - 0 0 20 -3,-1.9 3,-0.1 1,-0.1 6,-0.0 -0.810 64.4-147.8-113.5 157.9 14.8 -10.3 14.6 140 43 B A - 0 0 82 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.853 69.7 -25.8 -97.8 -42.2 14.8 -8.0 17.7 141 44 B S S >> S- 0 0 51 54,-0.0 3,-1.1 0, 0.0 4,-0.8 -0.904 82.8 -70.9-154.2-176.8 12.9 -4.9 16.7 142 45 B E T 34 S+ 0 0 75 -2,-0.3 3,-0.0 1,-0.2 50,-0.0 0.717 128.1 62.9 -51.6 -18.3 12.0 -2.9 13.5 143 46 B A T 34 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.767 97.0 48.3 -85.8 -32.7 15.7 -2.0 13.6 144 47 B A T X4 S+ 0 0 48 -3,-1.1 3,-0.7 1,-0.1 -1,-0.2 0.611 95.2 83.7 -80.3 -11.4 17.5 -5.4 13.2 145 48 B I T 3< S+ 0 0 4 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.923 81.0 53.0 -60.1 -54.1 15.2 -6.2 10.2 146 49 B P T 3 S- 0 0 45 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.596 77.3-165.0 -65.4 -15.1 16.9 -4.4 7.2 147 50 B A X> - 0 0 22 -3,-0.7 4,-2.0 -4,-0.2 3,-0.7 0.811 2.6-169.1 28.0 71.9 20.4 -6.0 7.8 148 51 B P H 3> S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.824 83.0 56.2 -58.8 -32.5 22.4 -3.6 5.6 149 52 B E H 3> S+ 0 0 177 2,-0.2 4,-0.8 1,-0.2 5,-0.1 0.863 108.5 49.4 -65.6 -35.4 25.5 -5.9 5.7 150 53 B R H X> S+ 0 0 44 -3,-0.7 4,-2.2 2,-0.2 3,-0.6 0.924 110.3 48.3 -67.0 -49.3 23.4 -8.7 4.4 151 54 B V H 3X S+ 0 0 15 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.887 107.8 57.2 -57.3 -38.9 21.9 -6.7 1.5 152 55 B A H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.741 111.0 41.3 -70.2 -24.7 25.4 -5.4 0.5 153 56 B A H S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.764 111.3 58.2 -72.6 -17.4 26.9 -8.3 -6.1 157 60 B E H X S+ 0 0 44 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.898 108.3 47.0 -66.9 -41.5 26.1 -12.1 -5.7 158 61 B R H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.882 109.7 52.5 -68.1 -38.6 23.0 -11.4 -7.8 159 62 B A H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 107.9 52.4 -58.6 -44.8 25.1 -9.5 -10.4 160 63 B R H X S+ 0 0 113 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.917 107.5 50.6 -58.4 -45.5 27.5 -12.4 -10.6 161 64 B W H X S+ 0 0 13 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.828 110.2 50.6 -63.2 -33.5 24.6 -14.9 -11.3 162 65 B A H ><>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 3,-0.6 0.894 108.6 51.9 -67.1 -42.8 23.4 -12.6 -14.0 163 66 B E H ><5S+ 0 0 126 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.881 111.3 47.2 -60.4 -39.3 26.9 -12.5 -15.5 164 67 B E H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.583 112.3 50.5 -78.8 -13.9 27.0 -16.3 -15.5 165 68 B N T <<5S- 0 0 56 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.192 116.5-107.9-110.7 12.4 23.5 -16.5 -17.1 166 69 B G T < 5S+ 0 0 60 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.828 74.6 128.8 68.8 37.3 24.2 -14.1 -20.0 167 70 B L S - 0 0 76 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.428 36.9-148.6 -58.9 121.7 23.0 -7.5 -18.3 169 72 B A H > S+ 0 0 16 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.911 91.1 52.2 -68.2 -45.2 24.3 -7.3 -14.7 170 73 B P H > S+ 0 0 89 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.907 109.9 50.6 -55.6 -41.0 23.2 -3.7 -13.9 171 74 B F H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.944 115.9 40.6 -62.2 -47.2 19.6 -4.6 -14.9 172 75 B V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.859 116.9 48.9 -67.9 -37.5 19.5 -7.7 -12.8 173 76 B E H X S+ 0 0 71 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.936 114.2 46.6 -68.5 -44.3 21.3 -6.1 -9.9 174 77 B G H X S+ 0 0 40 -4,-3.2 4,-1.9 -5,-0.3 -2,-0.2 0.856 109.2 54.2 -61.5 -40.6 18.9 -3.1 -10.1 175 78 B L H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.906 110.5 47.4 -61.4 -42.6 15.9 -5.3 -10.3 176 79 B F H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.881 104.1 58.1 -72.5 -34.8 17.0 -7.1 -7.1 177 80 B A H X S+ 0 0 27 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.966 111.5 45.8 -50.4 -48.7 17.7 -3.9 -5.2 178 81 B Q H X S+ 0 0 74 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.931 115.7 44.0 -61.6 -49.6 14.0 -3.2 -5.9 179 82 B I H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.924 115.1 48.4 -59.0 -48.7 12.8 -6.6 -4.9 180 83 B I H X S+ 0 0 7 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.920 111.5 48.3 -63.1 -46.3 14.9 -6.9 -1.7 181 84 B H H X S+ 0 0 102 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.816 110.5 52.6 -66.3 -29.4 14.0 -3.4 -0.5 182 85 B W H X S+ 0 0 36 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.908 109.9 48.1 -70.5 -42.1 10.3 -4.2 -1.1 183 86 B Y H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.887 109.4 52.9 -62.2 -42.0 10.6 -7.4 1.0 184 87 B I H X S+ 0 0 26 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.957 111.0 48.3 -54.3 -50.5 12.4 -5.5 3.8 185 88 B A H X S+ 0 0 36 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.907 112.1 47.7 -55.3 -46.4 9.4 -3.1 3.8 186 89 B E H X S+ 0 0 43 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.879 110.0 53.8 -66.7 -35.1 7.0 -6.0 3.8 187 90 B Q H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.864 108.1 49.2 -67.4 -37.0 8.9 -7.6 6.7 188 91 B I H X S+ 0 0 46 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.947 113.7 46.1 -64.2 -48.9 8.7 -4.4 8.8 189 92 B K H X S+ 0 0 89 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.930 112.9 50.5 -57.1 -49.5 5.0 -4.2 8.2 190 93 B Y H X S+ 0 0 71 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.916 111.0 48.8 -55.4 -45.1 4.6 -7.9 9.0 191 94 B W H X S+ 0 0 38 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.921 111.4 48.9 -61.0 -48.7 6.6 -7.4 12.2 192 95 B R H < S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.7 46.6 -55.3 -43.9 4.5 -4.4 13.3 193 96 B Q H < S+ 0 0 138 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.809 129.7 19.7 -71.9 -32.7 1.3 -6.4 12.5 194 97 B T H < 0 0 80 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.619 360.0 360.0-116.6 -21.8 2.3 -9.6 14.3 195 98 B R < 0 0 135 -4,-3.4 -3,-0.2 -5,-0.3 -4,-0.1 0.473 360.0 360.0-125.0 360.0 5.1 -8.7 16.8