==== 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 LYASE 09-JUN-06 2H9C . COMPND 2 MOLECULE: SALICYLATE BIOSYNTHESIS PROTEIN PCHB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.L.LAMB,J.ZAITSEVA,J.LU . 173 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 83.2 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 1 0 0 0 0 1 0 1 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 1 A M 0 0 141 0, 0.0 6,-0.0 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 132.0 44.7 8.4 12.9 2 2 A K - 0 0 89 1,-0.1 5,-0.1 4,-0.1 6,-0.0 -0.289 360.0-112.2 -61.0 148.4 43.9 8.0 16.5 3 3 A T > - 0 0 57 1,-0.1 4,-1.4 4,-0.0 3,-0.5 -0.395 36.1-100.7 -74.7 159.7 40.4 6.7 17.2 4 4 A P T 4 S+ 0 0 32 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.851 126.4 48.2 -54.0 -33.0 38.0 9.2 18.8 5 5 A E T 4 S+ 0 0 141 1,-0.2 -3,-0.0 3,-0.0 119,-0.0 0.820 108.7 54.3 -75.8 -30.5 38.6 7.6 22.3 6 6 A D T 4 S+ 0 0 93 -3,-0.5 -1,-0.2 2,-0.0 -4,-0.1 0.681 83.3 110.8 -75.0 -18.6 42.4 7.7 21.7 7 7 A C < - 0 0 6 -4,-1.4 3,-0.1 -3,-0.2 -4,-0.0 -0.311 51.8-164.7 -59.0 139.8 42.3 11.4 21.0 8 8 A T - 0 0 103 1,-0.1 2,-0.3 123,-0.0 -1,-0.1 0.382 61.3 -7.4-108.5 1.1 44.0 13.4 23.7 9 9 A G S > S- 0 0 16 1,-0.1 4,-1.6 122,-0.1 3,-0.3 -0.988 81.0 -76.8-176.4 179.0 42.8 16.8 22.9 10 10 A L H > S+ 0 0 69 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.792 119.3 63.1 -64.0 -30.6 40.9 19.2 20.6 11 11 A A H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 103.9 46.4 -62.1 -45.4 43.9 19.3 18.2 12 12 A D H > S+ 0 0 34 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.945 114.4 49.0 -59.9 -48.5 43.6 15.6 17.5 13 13 A I H X S+ 0 0 3 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.914 111.2 48.8 -56.8 -49.4 39.8 16.0 17.0 14 14 A R H X S+ 0 0 78 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.914 113.5 45.6 -60.1 -47.0 40.2 19.0 14.7 15 15 A E H X S+ 0 0 136 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.894 111.4 53.4 -65.1 -38.5 42.8 17.3 12.5 16 16 A A H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.952 111.3 46.0 -61.1 -46.7 40.7 14.1 12.4 17 17 A I H X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.856 111.5 52.3 -64.8 -34.0 37.7 16.2 11.2 18 18 A D H X S+ 0 0 35 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.925 110.5 47.5 -66.9 -43.3 39.9 18.0 8.7 19 19 A R H X S+ 0 0 93 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.916 114.9 46.6 -63.5 -43.2 41.1 14.7 7.2 20 20 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.932 112.3 48.7 -66.1 -46.6 37.6 13.3 7.1 21 21 A D H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 111.5 50.3 -59.8 -44.4 36.1 16.4 5.5 22 22 A L H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.883 107.7 53.8 -60.6 -38.9 38.9 16.4 2.9 23 23 A D H X S+ 0 0 54 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.917 108.5 50.3 -60.4 -43.0 38.2 12.7 2.2 24 24 A I H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.949 110.7 48.7 -59.7 -48.8 34.5 13.7 1.6 25 25 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 113.3 45.7 -57.2 -49.0 35.6 16.5 -0.8 26 26 A Q H X S+ 0 0 62 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.886 111.0 54.0 -62.8 -39.1 37.9 14.3 -2.8 27 27 A A H X S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.905 109.7 47.2 -61.6 -42.2 35.2 11.6 -2.9 28 28 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.871 110.4 54.3 -65.9 -36.4 32.8 14.1 -4.3 29 29 A G H X S+ 0 0 4 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.915 111.2 42.6 -64.3 -44.0 35.6 15.1 -6.8 30 30 A R H X S+ 0 0 101 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.868 111.5 59.2 -69.6 -34.0 36.0 11.6 -8.0 31 31 A R H >< S+ 0 0 4 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.945 104.8 46.3 -59.6 -50.9 32.2 11.2 -8.0 32 32 A M H >< S+ 0 0 20 -4,-2.5 3,-1.9 1,-0.3 4,-0.5 0.775 100.3 68.8 -66.4 -23.7 31.6 14.1 -10.5 33 33 A D H >X S+ 0 0 99 -4,-1.1 4,-1.0 1,-0.3 3,-0.7 0.752 87.0 68.2 -65.8 -21.5 34.4 12.8 -12.8 34 34 A Y H S+ 0 0 4 -3,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.908 94.5 49.5 -71.9 -42.2 29.8 12.3 -15.3 36 36 A K H <> S+ 0 0 127 -3,-0.7 4,-0.7 -4,-0.5 3,-0.3 0.950 113.2 47.6 -58.4 -48.4 32.3 12.4 -18.2 37 37 A A H >< S+ 0 0 1 -4,-1.0 3,-1.1 1,-0.2 -2,-0.2 0.916 107.8 54.3 -60.0 -47.1 32.3 8.6 -18.2 38 38 A A H >< S+ 0 0 9 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.824 97.3 65.7 -59.1 -34.0 28.6 8.3 -18.1 39 39 A S H 3< S+ 0 0 48 -4,-1.6 2,-0.3 -3,-0.3 -1,-0.2 0.808 92.4 61.8 -60.9 -30.9 28.0 10.5 -21.2 40 40 A R T << 0 0 110 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.1 -0.098 360.0 360.0 -89.3 39.3 29.8 8.0 -23.4 41 41 A F < 0 0 103 -3,-1.0 58,-0.1 -2,-0.3 57,-0.0 -0.990 360.0 360.0-152.4 360.0 27.2 5.4 -22.7 42 ! 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 43 50 A A >> 0 0 80 0, 0.0 3,-3.9 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 156.2 15.4 8.9 -15.0 44 51 A P H 3> + 0 0 111 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.680 360.0 81.1 -50.5 -14.7 14.2 10.2 -11.6 45 52 A E H 3> S+ 0 0 159 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.796 86.3 56.2 -60.8 -28.9 13.6 6.5 -11.1 46 53 A R H X> S+ 0 0 83 -3,-3.9 4,-2.5 2,-0.2 3,-0.6 0.944 106.5 46.5 -68.3 -51.2 17.3 6.3 -10.3 47 54 A V H 3X S+ 0 0 18 -4,-0.5 4,-2.1 1,-0.3 -2,-0.2 0.889 107.2 59.5 -58.4 -40.2 17.0 8.9 -7.5 48 55 A A H 3< S+ 0 0 70 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.835 111.9 39.9 -58.6 -33.4 14.0 7.0 -6.2 49 56 A A H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 3,-0.8 0.932 100.0 59.1 -66.1 -51.4 19.4 5.6 -4.4 51 58 A L H 3X S+ 0 0 30 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.876 105.3 48.4 -49.4 -47.7 18.0 7.7 -1.6 52 59 A P H 3> S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.809 109.9 53.8 -66.5 -26.8 16.5 4.8 0.4 53 60 A E H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-1.4 0.942 109.2 50.9 -59.6 -47.2 23.1 6.3 7.5 59 66 A E H ><5S+ 0 0 128 -4,-1.9 3,-1.8 1,-0.3 -2,-0.2 0.933 107.6 52.2 -53.9 -51.5 21.2 4.1 9.9 60 67 A E H 3<5S+ 0 0 139 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.579 111.2 50.1 -64.1 -10.5 24.0 1.5 9.8 61 68 A N T <<5S- 0 0 49 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.125 118.6-104.4-117.3 23.0 26.4 4.3 10.7 62 69 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.729 79.4 130.8 64.7 24.0 24.6 5.8 13.7 63 70 A L < - 0 0 20 -5,-2.8 2,-0.8 -6,-0.2 -1,-0.2 -0.641 68.9 -98.3-107.0 164.5 23.5 8.8 11.6 64 71 A D > - 0 0 55 -2,-0.2 4,-1.9 1,-0.2 3,-0.3 -0.729 31.2-151.1 -82.4 112.1 20.1 10.4 11.2 65 72 A A H > S+ 0 0 10 -2,-0.8 4,-3.0 1,-0.2 5,-0.3 0.914 89.0 55.8 -49.7 -56.7 18.6 9.0 7.9 66 73 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.888 110.9 45.0 -45.3 -49.1 16.5 12.0 7.0 67 74 A F H > S+ 0 0 31 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.910 114.6 47.1 -64.0 -44.1 19.5 14.4 7.1 68 75 A V H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.848 111.2 53.2 -65.9 -34.8 21.8 12.1 5.2 69 76 A E H X S+ 0 0 65 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.935 107.0 51.3 -66.7 -44.8 19.1 11.5 2.6 70 77 A G H X S+ 0 0 37 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.866 105.6 56.2 -61.1 -37.4 18.7 15.2 2.1 71 78 A L H X S+ 0 0 6 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.934 109.3 45.3 -61.4 -45.9 22.4 15.6 1.5 72 79 A F H X S+ 0 0 0 -4,-1.7 4,-4.2 2,-0.2 5,-0.2 0.799 107.9 55.7 -70.3 -27.0 22.4 13.1 -1.3 73 80 A A H X S+ 0 0 21 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.908 112.1 46.4 -67.7 -37.0 19.3 14.5 -2.9 74 81 A Q H X S+ 0 0 56 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.946 117.4 42.2 -65.7 -49.2 21.3 17.7 -2.9 75 82 A I H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.907 115.1 50.0 -65.3 -44.2 24.4 15.9 -4.3 76 83 A I H X S+ 0 0 2 -4,-4.2 4,-2.5 1,-0.2 -2,-0.2 0.892 109.1 50.2 -66.1 -40.2 22.4 13.8 -6.8 77 84 A H H X S+ 0 0 109 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.862 110.3 51.0 -67.1 -33.2 20.6 16.7 -8.3 78 85 A W H X S+ 0 0 82 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.930 110.9 48.7 -68.0 -43.0 23.8 18.6 -8.7 79 86 A Y H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.917 112.3 47.9 -61.6 -46.5 25.4 15.6 -10.5 80 87 A I H X S+ 0 0 47 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.949 113.6 46.7 -59.5 -51.7 22.4 15.1 -12.8 81 88 A A H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.891 110.7 53.5 -58.8 -40.5 22.3 18.8 -13.7 82 89 A E H X S+ 0 0 64 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.866 104.6 56.6 -63.3 -35.3 26.1 18.7 -14.2 83 90 A Q H X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.960 109.6 43.6 -58.2 -53.8 25.6 15.8 -16.6 84 91 A I H X S+ 0 0 109 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.850 115.5 49.9 -59.0 -38.8 23.2 17.8 -18.8 85 92 A K H < S+ 0 0 152 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.891 112.4 45.6 -69.4 -41.2 25.6 20.8 -18.6 86 93 A Y H >< S+ 0 0 58 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.838 105.0 64.7 -69.9 -31.6 28.5 18.6 -19.5 87 94 A W H 3< S+ 0 0 181 -4,-2.5 2,-2.3 1,-0.3 -2,-0.2 0.942 94.8 58.3 -53.6 -50.4 26.3 17.2 -22.3 88 95 A R T 3< 0 0 225 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.1 -0.291 360.0 360.0 -78.4 54.1 26.2 20.6 -23.9 89 96 A Q < 0 0 170 -2,-2.3 -1,-0.1 -3,-0.6 -3,-0.1 0.074 360.0 360.0 -44.9 360.0 30.0 20.6 -24.2 90 !* 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 91 1 B M 0 0 123 0, 0.0 2,-0.2 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 167.4 36.7 0.4 -8.3 92 2 B K - 0 0 85 10,-0.2 5,-0.1 1,-0.1 14,-0.0 -0.576 360.0-112.0 -82.9 145.2 37.5 1.3 -11.9 93 3 B T >> - 0 0 61 -2,-0.2 4,-1.3 1,-0.1 3,-1.0 -0.327 36.7-102.4 -68.8 157.8 38.6 4.9 -12.8 94 4 B P G >4 S+ 0 0 32 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.930 125.4 48.7 -48.0 -49.3 36.2 6.9 -14.8 95 5 B E G 34 S+ 0 0 152 1,-0.3 -3,-0.0 3,-0.0 -61,-0.0 0.765 108.2 56.0 -63.4 -25.0 38.2 6.3 -18.0 96 6 B D G <4 S+ 0 0 84 -3,-1.0 -1,-0.3 6,-0.0 6,-0.0 0.681 80.6 113.0 -80.8 -19.4 38.4 2.6 -17.2 97 7 B C << - 0 0 5 -4,-1.3 3,-0.1 -3,-1.1 -4,-0.0 -0.295 44.8-171.9 -57.9 135.0 34.6 2.2 -17.0 98 8 B T - 0 0 105 1,-0.2 2,-0.3 -57,-0.0 -1,-0.1 0.323 65.2 -7.9-109.9 2.8 33.2 0.0 -19.8 99 9 B G S > S- 0 0 17 -58,-0.1 4,-1.4 1,-0.1 3,-0.2 -0.980 82.6 -77.9-179.3 177.2 29.6 0.6 -19.1 100 10 B L H > S+ 0 0 68 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.762 119.1 64.2 -66.5 -26.2 26.9 2.1 -16.8 101 11 B A H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 102.4 48.9 -62.4 -47.7 27.2 -0.8 -14.4 102 12 B D H > S+ 0 0 31 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 114.1 47.0 -55.5 -46.0 30.8 0.2 -13.6 103 13 B I H X S+ 0 0 6 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.928 111.1 49.2 -63.7 -47.2 29.7 3.8 -13.1 104 14 B R H X S+ 0 0 140 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.860 113.1 47.6 -62.8 -36.3 26.8 3.0 -10.9 105 15 B E H X S+ 0 0 138 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.904 110.0 51.7 -72.0 -39.9 28.9 0.7 -8.7 106 16 B A H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.924 112.7 46.9 -60.9 -42.9 31.7 3.3 -8.4 107 17 B I H X S+ 0 0 13 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.873 111.2 49.6 -67.8 -38.5 29.1 5.9 -7.3 108 18 B D H X S+ 0 0 46 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.864 113.3 48.3 -68.2 -32.6 27.4 3.6 -4.8 109 19 B R H X S+ 0 0 94 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.875 113.6 46.6 -72.1 -38.5 30.9 2.8 -3.4 110 20 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.925 111.9 49.5 -69.4 -45.9 31.8 6.5 -3.3 111 21 B D H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.892 110.6 51.0 -61.0 -39.7 28.5 7.5 -1.6 112 22 B L H X S+ 0 0 30 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.885 107.3 53.7 -65.6 -37.9 28.9 4.7 1.0 113 23 B D H X S+ 0 0 51 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.911 109.9 48.9 -60.6 -41.5 32.5 6.0 1.7 114 24 B I H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.910 110.8 48.4 -64.9 -44.0 30.9 9.4 2.3 115 25 B V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.931 113.8 47.1 -62.5 -45.5 28.2 8.1 4.6 116 26 B Q H X S+ 0 0 66 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.889 110.6 52.4 -64.3 -37.5 30.8 6.1 6.6 117 27 B A H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.926 109.2 50.0 -64.0 -41.0 33.0 9.2 6.7 118 28 B L H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.850 108.1 55.1 -64.0 -33.6 30.1 11.1 8.1 119 29 B G H X S+ 0 0 5 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.929 110.7 42.5 -65.8 -45.4 29.6 8.3 10.6 120 30 B R H X S+ 0 0 101 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.879 108.5 60.9 -68.2 -36.4 33.2 8.7 11.9 121 31 B R H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.933 103.2 50.5 -54.9 -48.5 32.9 12.5 11.8 122 32 B M H X S+ 0 0 10 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.867 106.0 56.4 -59.3 -38.2 30.1 12.3 14.3 123 33 B D H X S+ 0 0 86 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.924 110.6 43.3 -62.3 -43.0 32.2 10.0 16.6 124 34 B Y H X S+ 0 0 12 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.918 111.6 53.5 -68.6 -42.5 35.0 12.6 16.7 125 35 B V H < S+ 0 0 10 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.902 109.9 49.3 -58.4 -38.9 32.6 15.5 17.2 126 36 B K H >< S+ 0 0 104 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.917 108.4 51.8 -66.0 -42.4 31.1 13.6 20.2 127 37 B A H >< S+ 0 0 16 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.772 93.0 77.3 -64.5 -24.7 34.5 12.9 21.7 128 38 B A G >< S+ 0 0 25 -4,-1.6 3,-1.3 1,-0.3 -1,-0.3 0.794 83.5 63.7 -55.4 -30.5 35.2 16.7 21.4 129 39 B S G < S+ 0 0 97 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.752 79.6 81.6 -67.0 -24.1 33.0 17.3 24.4 130 40 B R G < 0 0 122 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.509 360.0 360.0 -60.6 -0.9 35.5 15.3 26.5 131 41 B F < 0 0 111 -3,-1.3 -122,-0.1 -4,-0.1 -123,-0.0 -0.812 360.0 360.0-135.7 360.0 37.4 18.6 26.6 132 ! 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 0.0 133 49 B P 0 0 72 0, 0.0 38,-0.0 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 137.9 32.6 24.4 17.5 134 50 B A > - 0 0 54 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.239 360.0-108.8 -65.0 155.1 33.3 28.1 18.3 135 51 B P H > S+ 0 0 114 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.775 120.4 57.1 -57.1 -26.5 32.4 30.7 15.6 136 52 B E H > S+ 0 0 138 2,-0.2 4,-1.5 3,-0.1 5,-0.2 0.962 105.8 48.4 -68.1 -52.2 36.1 31.2 15.0 137 53 B R H >> S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.949 114.5 45.2 -50.9 -57.0 36.6 27.5 14.2 138 54 B V H 3X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.895 109.8 54.0 -56.4 -46.0 33.7 27.4 11.8 139 55 B A H 3< S+ 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.780 114.0 43.7 -62.1 -26.3 34.6 30.6 10.0 140 56 B A H S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.922 111.6 54.7 -54.0 -42.1 36.9 28.8 3.4 144 60 B E H X S+ 0 0 64 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.939 108.4 46.3 -56.6 -49.4 39.3 25.9 3.8 145 61 B R H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.867 108.8 55.8 -63.3 -33.8 36.7 23.4 2.4 146 62 B A H X S+ 0 0 10 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 108.0 50.4 -62.5 -41.4 35.9 25.8 -0.4 147 63 B R H X S+ 0 0 133 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.937 109.5 48.3 -60.7 -49.4 39.6 25.7 -1.2 148 64 B W H X S+ 0 0 15 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.908 107.4 57.9 -58.7 -40.8 39.8 21.9 -1.2 149 65 B A H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.6 0.916 107.9 45.9 -55.4 -45.8 36.7 21.9 -3.4 150 66 B E H ><5S+ 0 0 131 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.909 107.2 55.9 -66.6 -41.5 38.5 23.9 -6.0 151 67 B E H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.674 109.7 50.2 -64.4 -15.4 41.7 21.8 -5.9 152 68 B N T <<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.071 121.4-104.3-110.9 25.3 39.4 18.9 -6.7 153 69 B G T < 5S+ 0 0 76 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.723 78.1 128.7 62.8 27.3 37.6 20.4 -9.7 154 70 B L < - 0 0 23 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.704 69.2 -89.5-113.4 164.8 34.4 21.2 -7.8 155 71 B D > - 0 0 64 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.576 33.7-155.2 -70.9 118.1 32.1 24.2 -7.3 156 72 B A H > S+ 0 0 17 -2,-0.5 4,-3.4 2,-0.2 5,-0.3 0.937 89.2 48.5 -63.5 -51.1 33.3 26.0 -4.2 157 73 B P H > S+ 0 0 97 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.938 114.4 47.1 -56.7 -46.7 30.0 27.7 -3.2 158 74 B F H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.981 117.0 42.2 -56.9 -58.7 28.1 24.4 -3.6 159 75 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 115.2 49.4 -58.3 -42.8 30.6 22.4 -1.6 160 76 B E H X S+ 0 0 62 -4,-3.4 4,-2.1 -5,-0.2 -1,-0.2 0.923 110.8 50.4 -65.4 -40.7 31.1 25.1 1.1 161 77 B G H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.932 107.4 56.2 -59.8 -42.6 27.4 25.4 1.5 162 78 B L H X S+ 0 0 5 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.913 109.4 43.6 -54.7 -48.4 27.3 21.6 1.8 163 79 B F H X S+ 0 0 1 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.818 106.5 61.2 -71.1 -28.1 29.7 21.6 4.7 164 80 B A H X S+ 0 0 38 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.920 106.6 47.0 -63.2 -40.1 28.0 24.5 6.4 165 81 B Q H X S+ 0 0 74 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.918 112.4 50.3 -65.8 -42.3 24.9 22.3 6.6 166 82 B I H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.959 114.2 42.6 -61.0 -51.8 26.9 19.4 8.0 167 83 B I H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.951 116.0 50.2 -59.5 -47.9 28.6 21.6 10.6 168 84 B H H X S+ 0 0 141 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.924 114.1 43.9 -55.0 -50.6 25.3 23.3 11.5 169 85 B W H X S+ 0 0 89 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.861 113.1 50.6 -66.8 -37.7 23.5 19.9 11.8 170 86 B Y H X S+ 0 0 6 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.869 105.4 57.4 -68.4 -36.2 26.2 18.2 13.8 171 87 B I H X S+ 0 0 57 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.929 110.1 44.6 -57.6 -44.7 26.3 21.2 16.2 172 88 B A H X S+ 0 0 51 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.791 108.3 57.4 -70.1 -30.0 22.6 20.6 16.8 173 89 B E H < S+ 0 0 32 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.825 106.1 50.9 -69.6 -32.8 23.1 16.8 17.2 174 90 B Q H < S+ 0 0 70 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.983 106.9 50.8 -66.6 -60.3 25.6 17.4 20.0 175 91 B I H < 0 0 148 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.861 360.0 360.0 -44.4 -39.9 23.4 19.7 22.0 176 92 B K < 0 0 187 -4,-1.5 -1,-0.0 -5,-0.1 -3,-0.0 -0.334 360.0 360.0 -55.8 360.0 20.8 16.9 21.6