==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 31-MAY-09 3HNK . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.N.SALGADO,R.A.LEWIS,J.BRODIN,F.A.TEZCAN . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 78.8 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 2 0 0 0 0 2 0 2 0 0 0 0 0 0 2 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 1 A A 0 0 84 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.5 -20.2 -8.4 -11.1 2 2 A D > - 0 0 94 1,-0.1 4,-2.3 41,-0.0 5,-0.2 -0.331 360.0 -96.1 -81.3 170.9 -22.8 -9.0 -8.5 3 3 A L H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 122.5 50.7 -52.6 -49.0 -22.7 -7.6 -4.9 4 4 A E H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 110.5 48.8 -61.9 -41.4 -21.2 -10.8 -3.4 5 5 A D H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 112.3 48.1 -63.3 -48.4 -18.4 -11.0 -6.0 6 6 A N H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.854 111.5 51.7 -57.3 -37.5 -17.5 -7.3 -5.4 7 7 A M H X S+ 0 0 52 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.867 108.2 49.8 -70.6 -37.9 -17.5 -7.9 -1.7 8 8 A E H X S+ 0 0 118 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.892 110.8 50.9 -64.4 -40.6 -15.2 -10.9 -1.9 9 9 A T H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 111.2 48.2 -60.7 -49.1 -12.9 -8.8 -4.1 10 10 A L H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.921 116.5 43.3 -52.5 -49.5 -13.0 -6.0 -1.4 11 11 A N H X S+ 0 0 75 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.918 112.8 50.0 -68.2 -46.7 -12.3 -8.6 1.4 12 12 A D H X S+ 0 0 90 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.920 113.3 46.9 -57.0 -47.6 -9.5 -10.5 -0.4 13 13 A N H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.771 105.4 58.2 -70.9 -28.4 -7.6 -7.4 -1.3 14 14 A L H X S+ 0 0 10 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.895 107.5 48.8 -64.0 -40.9 -7.9 -5.9 2.2 15 15 A K H X S+ 0 0 96 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.870 108.5 53.9 -64.8 -40.5 -6.1 -9.1 3.4 16 16 A V H < S+ 0 0 57 -4,-1.6 3,-0.4 1,-0.2 4,-0.2 0.922 108.9 48.8 -57.2 -47.1 -3.4 -8.6 0.7 17 17 A I H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.932 104.7 58.6 -60.6 -48.0 -2.8 -5.0 1.9 18 18 A E H 3< S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 118.2 31.0 -50.7 -37.5 -2.5 -6.1 5.6 19 19 A K T 3< S+ 0 0 151 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.191 91.7 128.0-111.5 13.0 0.4 -8.4 4.8 20 20 A A < - 0 0 11 -3,-1.7 3,-0.1 -4,-0.2 -3,-0.1 -0.351 39.2-166.9 -70.7 153.7 1.9 -6.5 1.8 21 21 A D + 0 0 135 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.719 65.6 36.1-108.6 -39.0 5.6 -5.7 1.8 22 22 A N S > S- 0 0 73 62,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.727 79.0-111.0-121.3 168.5 6.0 -3.2 -1.0 23 23 A A H > S+ 0 0 20 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.821 111.7 61.6 -66.3 -34.6 4.0 -0.3 -2.6 24 24 A A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 104.4 48.4 -60.7 -42.4 3.3 -2.2 -5.8 25 25 A Q H > S+ 0 0 74 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 115.2 44.8 -62.6 -43.4 1.3 -4.8 -4.0 26 26 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.913 112.1 51.2 -70.3 -45.8 -0.7 -2.2 -2.1 27 27 A K H X S+ 0 0 81 -4,-3.0 4,-2.2 52,-0.2 -1,-0.2 0.896 111.8 48.3 -54.6 -46.9 -1.3 -0.0 -5.2 28 28 A D H X S+ 0 0 76 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.0 47.7 -63.5 -45.8 -2.6 -3.1 -7.0 29 29 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.892 113.8 46.6 -65.0 -41.9 -4.9 -4.2 -4.2 30 30 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.849 108.4 56.3 -69.6 -35.9 -6.4 -0.8 -3.7 31 31 A T H X S+ 0 0 75 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.925 110.4 45.1 -57.9 -45.6 -6.9 -0.3 -7.5 32 32 A K H X S+ 0 0 97 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.859 111.7 53.1 -66.9 -37.5 -8.9 -3.6 -7.5 33 33 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.900 107.4 51.4 -61.7 -43.3 -10.8 -2.4 -4.4 34 34 A A H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.923 111.6 46.7 -61.4 -45.5 -11.7 0.9 -6.1 35 35 A A H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.917 113.6 48.5 -60.7 -46.2 -13.1 -0.9 -9.2 36 36 A A H X S+ 0 0 6 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.849 112.9 47.0 -65.3 -38.8 -15.1 -3.4 -7.0 37 37 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.895 111.8 50.9 -69.7 -40.3 -16.6 -0.6 -4.9 38 38 A A H < S+ 0 0 52 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.887 111.1 48.9 -61.6 -40.7 -17.5 1.4 -8.0 39 39 A D H < S+ 0 0 69 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.846 113.2 47.6 -66.5 -35.9 -19.2 -1.6 -9.5 40 40 A A H >< S+ 0 0 0 -4,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.675 89.7 84.3 -80.3 -20.9 -21.1 -2.2 -6.2 41 41 A W T 3< S+ 0 0 9 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.841 93.2 45.2 -49.9 -42.1 -22.2 1.4 -5.9 42 42 A S T 3 S+ 0 0 73 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.479 92.2 115.5 -83.4 -4.9 -25.2 0.9 -8.2 43 43 A A < - 0 0 23 -3,-1.8 -3,-0.0 -4,-0.1 -41,-0.0 -0.334 58.6-141.3 -76.8 148.0 -26.3 -2.4 -6.6 44 44 A T - 0 0 78 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.944 25.1-138.6-102.6 115.8 -29.5 -3.1 -4.7 45 45 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.366 20.7-110.4 -74.2 153.7 -28.8 -5.4 -1.7 46 46 A P G > S+ 0 0 86 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.863 116.7 54.6 -48.1 -45.3 -31.2 -8.3 -0.7 47 47 A K G 3 S+ 0 0 131 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.645 113.4 42.8 -69.8 -13.7 -32.4 -6.6 2.5 48 48 A L G X S+ 0 0 8 -3,-1.7 3,-1.8 57,-0.1 -1,-0.3 0.220 77.4 110.6-115.0 13.4 -33.4 -3.5 0.5 49 49 A E T < S+ 0 0 133 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.799 79.8 51.0 -57.4 -32.3 -35.0 -5.2 -2.6 50 50 A D T 3 S+ 0 0 166 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.401 95.5 94.2 -89.0 2.3 -38.5 -4.0 -1.5 51 51 A K S < S- 0 0 101 -3,-1.8 -3,-0.1 1,-0.1 0, 0.0 -0.628 80.8-107.9 -94.9 153.4 -37.4 -0.4 -1.1 52 52 A S > - 0 0 58 -2,-0.2 3,-2.0 1,-0.1 6,-0.4 -0.461 26.4-118.6 -71.8 148.6 -37.6 2.4 -3.7 53 53 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.698 119.7 48.6 -58.8 -18.6 -34.3 3.6 -5.4 54 54 A D T 3 S+ 0 0 120 4,-0.1 -2,-0.0 5,-0.0 134,-0.0 0.252 86.7 122.7-105.7 5.4 -35.2 6.9 -3.8 55 55 A S S <> S- 0 0 12 -3,-2.0 4,-2.0 1,-0.1 5,-0.2 -0.252 76.9-112.7 -63.6 156.0 -35.9 5.5 -0.3 56 56 A P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.887 118.2 55.8 -53.8 -40.7 -33.9 6.8 2.7 57 57 A E H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.918 107.7 45.6 -60.2 -47.9 -32.3 3.4 3.0 58 58 A M H > S+ 0 0 6 -6,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.842 111.9 51.6 -69.3 -34.3 -31.0 3.4 -0.6 59 59 A H H X S+ 0 0 69 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.910 112.7 46.9 -61.0 -45.0 -29.7 6.9 -0.3 60 60 A D H X S+ 0 0 55 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.908 111.8 51.3 -61.5 -44.5 -27.9 5.8 2.9 61 61 A F H X S+ 0 0 7 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.926 112.4 44.1 -60.2 -50.0 -26.6 2.7 1.1 62 62 A R H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.851 108.9 58.0 -65.9 -35.1 -25.2 4.7 -1.8 63 63 A H H X S+ 0 0 78 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.871 100.8 58.0 -61.8 -36.3 -23.7 7.2 0.6 64 64 A G H X S+ 0 0 20 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.869 107.2 46.4 -60.6 -40.7 -21.8 4.4 2.3 65 65 A F H X S+ 0 0 9 -4,-1.1 4,-3.0 2,-0.2 5,-0.2 0.848 108.5 55.2 -70.3 -36.6 -20.1 3.5 -1.0 66 66 A W H X S+ 0 0 66 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 111.9 45.0 -59.4 -46.0 -19.3 7.2 -1.7 67 67 A I H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.958 114.6 48.3 -58.3 -53.5 -17.5 7.3 1.6 68 68 A L H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.900 110.9 49.4 -56.7 -46.7 -15.8 4.0 1.0 69 69 A I H X S+ 0 0 4 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.891 109.7 51.8 -62.7 -41.0 -14.6 5.0 -2.5 70 70 A G H X S+ 0 0 22 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.905 111.5 47.5 -60.0 -43.2 -13.2 8.3 -1.2 71 71 A Q H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 111.9 49.2 -64.4 -44.8 -11.2 6.4 1.5 72 72 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.925 111.1 51.1 -59.7 -45.4 -9.9 3.8 -1.0 73 73 A H H X S+ 0 0 27 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 110.3 47.9 -57.8 -46.6 -8.8 6.7 -3.3 74 74 A D H X S+ 0 0 82 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.873 113.1 48.3 -64.1 -39.1 -7.0 8.5 -0.5 75 75 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 110.0 52.6 -63.9 -42.3 -5.3 5.2 0.5 76 76 A L H X S+ 0 0 12 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.901 104.4 56.0 -61.5 -43.2 -4.3 4.6 -3.2 77 77 A H H X S+ 0 0 26 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.928 108.2 48.1 -51.5 -48.5 -2.8 8.1 -3.3 78 78 A L H <>S+ 0 0 54 -4,-1.6 5,-2.5 1,-0.2 3,-0.3 0.908 112.0 49.0 -61.5 -42.5 -0.5 7.1 -0.4 79 79 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.892 107.0 56.3 -62.5 -41.8 0.4 3.8 -2.1 80 80 A N H 3<5S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.4 51.3 -55.1 -35.0 1.2 5.7 -5.3 81 81 A E T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.311 121.7-106.5 -91.1 6.9 3.6 7.8 -3.4 82 82 A G T < 5S+ 0 0 46 -3,-1.7 2,-1.6 1,-0.2 -3,-0.2 0.590 74.1 141.3 79.1 12.9 5.4 4.8 -1.9 83 83 A K >< + 0 0 104 -5,-2.5 4,-2.1 1,-0.2 5,-0.2 -0.581 17.1 162.6 -88.4 77.7 3.9 5.3 1.5 84 84 A V H > + 0 0 27 -2,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.964 69.0 42.8 -65.3 -59.0 3.3 1.7 2.4 85 85 A K H > S+ 0 0 162 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 116.6 48.7 -57.0 -43.2 2.9 1.7 6.2 86 86 A E H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 110.4 50.2 -69.9 -34.3 0.6 4.8 6.0 87 87 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.892 109.0 53.3 -65.8 -39.2 -1.5 3.3 3.2 88 88 A Q H X S+ 0 0 32 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.872 107.9 50.4 -62.8 -38.1 -1.8 0.1 5.4 89 89 A A H X S+ 0 0 59 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.876 109.8 50.5 -64.2 -41.1 -3.0 2.4 8.3 90 90 A A H X S+ 0 0 29 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.897 108.9 51.2 -64.2 -42.2 -5.6 4.0 5.9 91 91 A A H < S+ 0 0 4 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.871 108.6 52.8 -62.2 -40.0 -6.9 0.6 4.8 92 92 A E H >< S+ 0 0 100 -4,-1.8 3,-1.2 1,-0.2 4,-0.3 0.919 108.2 49.9 -58.2 -48.8 -7.3 -0.5 8.5 93 93 A Q H >< S+ 0 0 150 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.809 100.2 62.7 -63.8 -33.3 -9.4 2.6 9.3 94 94 A L T >X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.3 3,-0.9 0.596 80.4 83.4 -73.9 -8.4 -11.8 2.2 6.4 95 95 A K H <> S+ 0 0 56 -3,-1.2 4,-3.2 -4,-0.4 -1,-0.3 0.813 81.1 66.5 -57.7 -31.1 -12.9 -1.2 7.9 96 96 A T H <> S+ 0 0 94 -3,-1.5 4,-2.4 -4,-0.3 -1,-0.2 0.861 99.7 48.8 -55.7 -40.6 -15.2 1.0 10.0 97 97 A T H <> S+ 0 0 22 -3,-0.9 4,-1.8 -4,-0.3 5,-0.2 0.896 111.0 49.7 -67.7 -43.2 -17.0 1.9 6.8 98 98 A C H X S+ 0 0 33 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.963 115.0 44.9 -54.0 -54.3 -17.3 -1.8 5.9 99 99 A N H X S+ 0 0 101 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.869 109.2 55.0 -59.4 -44.4 -18.6 -2.6 9.4 100 100 A A H X S+ 0 0 44 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.876 111.5 42.8 -63.4 -41.3 -21.1 0.4 9.5 101 101 A C H >X S+ 0 0 26 -4,-1.8 4,-3.1 2,-0.2 3,-0.6 0.922 113.6 50.9 -72.7 -43.1 -22.9 -0.6 6.3 102 102 A H H 3X S+ 0 0 52 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.912 103.0 62.3 -55.6 -45.1 -23.0 -4.3 7.1 103 103 A Q H 3< S+ 0 0 171 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.5 26.1 -45.4 -42.9 -24.4 -3.4 10.5 104 104 A K H << S+ 0 0 120 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.847 135.8 21.1 -92.2 -41.2 -27.5 -1.9 8.8 105 105 A Y H < 0 0 30 -4,-3.1 -58,-0.5 -5,-0.1 -3,-0.2 0.518 360.0 360.0-122.9 -8.9 -27.8 -3.7 5.4 106 106 A R < 0 0 202 -4,-1.8 0, 0.0 -5,-0.4 0, 0.0 -0.677 360.0 360.0 -80.8 360.0 -26.0 -7.1 5.3 107 !* 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 0.0 108 1 B A 0 0 84 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 -4.8 4.2 -22.5 109 2 B D > - 0 0 80 1,-0.1 4,-2.3 41,-0.0 5,-0.2 -0.338 360.0 -94.8 -81.1 172.9 -2.2 6.9 -23.1 110 3 B L H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 123.1 52.7 -54.1 -46.1 -2.5 10.5 -21.8 111 4 B E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 110.6 47.0 -60.1 -43.2 -4.0 11.8 -25.0 112 5 B D H > S+ 0 0 80 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 113.3 47.9 -65.3 -46.0 -6.7 9.2 -25.1 113 6 B N H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.877 112.1 50.5 -61.8 -37.4 -7.6 9.7 -21.4 114 7 B M H X S+ 0 0 56 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.875 108.1 51.6 -69.4 -38.9 -7.7 13.5 -21.9 115 8 B E H X S+ 0 0 110 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.914 111.1 48.9 -59.9 -44.7 -10.0 13.2 -25.0 116 9 B T H X S+ 0 0 47 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 112.4 48.2 -59.9 -48.5 -12.3 11.0 -22.8 117 10 B L H X S+ 0 0 12 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.911 116.7 43.2 -54.4 -47.9 -12.1 13.6 -20.0 118 11 B N H X S+ 0 0 87 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.927 113.5 48.2 -68.3 -49.7 -12.9 16.4 -22.5 119 12 B D H X S+ 0 0 68 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.911 113.4 48.1 -59.8 -44.1 -15.6 14.7 -24.5 120 13 B N H X S+ 0 0 17 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.760 105.4 57.5 -72.4 -26.0 -17.5 13.6 -21.4 121 14 B L H X S+ 0 0 13 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.885 107.0 49.7 -67.5 -39.2 -17.3 17.1 -19.8 122 15 B K H X S+ 0 0 106 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.863 107.9 54.4 -65.2 -38.5 -19.1 18.5 -22.9 123 16 B V H < S+ 0 0 68 -4,-1.6 3,-0.4 2,-0.2 4,-0.3 0.927 108.5 48.5 -58.5 -47.4 -21.8 15.7 -22.6 124 17 B I H >< S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.933 104.2 60.3 -59.7 -48.2 -22.4 16.8 -18.9 125 18 B E H 3< S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 118.2 28.7 -48.9 -39.1 -22.7 20.5 -19.9 126 19 B K T 3< S+ 0 0 178 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.190 92.0 128.7-112.9 15.5 -25.7 19.8 -22.2 127 20 B A < - 0 0 10 -3,-1.7 3,-0.1 -4,-0.3 -3,-0.1 -0.307 38.9-166.3 -69.7 155.3 -27.1 16.7 -20.5 128 21 B D + 0 0 139 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.709 65.6 35.6-111.5 -34.7 -30.8 16.6 -19.6 129 22 B N S > S- 0 0 72 62,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.749 79.5-110.7-123.4 168.4 -31.1 13.7 -17.2 130 23 B A H > S+ 0 0 26 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.804 111.8 62.6 -67.0 -32.9 -29.2 12.0 -14.4 131 24 B A H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 104.4 48.0 -60.6 -42.0 -28.4 8.9 -16.4 132 25 B Q H > S+ 0 0 74 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.911 115.2 44.6 -62.9 -45.9 -26.5 10.9 -19.0 133 26 B V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.914 112.8 50.4 -68.4 -45.1 -24.5 12.7 -16.3 134 27 B K H X S+ 0 0 74 -4,-3.1 4,-2.3 52,-0.2 -1,-0.2 0.902 111.5 48.8 -58.7 -45.5 -23.8 9.6 -14.3 135 28 B D H X S+ 0 0 79 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.919 112.7 47.4 -61.1 -45.8 -22.5 7.7 -17.4 136 29 B A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.907 113.8 46.7 -64.6 -44.4 -20.2 10.6 -18.4 137 30 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.853 108.5 56.1 -65.8 -37.2 -18.8 11.0 -14.9 138 31 B T H X S+ 0 0 67 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.930 110.4 45.2 -58.6 -47.2 -18.3 7.2 -14.6 139 32 B K H X S+ 0 0 98 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.877 112.0 52.5 -63.5 -40.2 -16.2 7.4 -17.9 140 33 B M H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.895 107.5 52.3 -61.2 -42.6 -14.3 10.5 -16.5 141 34 B A H X S+ 0 0 30 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.927 111.0 46.4 -59.7 -47.5 -13.5 8.6 -13.3 142 35 B A H X S+ 0 0 64 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.917 114.1 47.9 -61.9 -45.3 -12.0 5.6 -15.2 143 36 B A H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.874 112.6 47.9 -64.8 -40.8 -10.0 7.9 -17.5 144 37 B A H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.895 111.9 50.1 -67.6 -40.7 -8.6 10.0 -14.7 145 38 B A H < S+ 0 0 48 -4,-2.3 4,-0.5 -5,-0.2 3,-0.2 0.877 111.0 49.4 -63.6 -39.8 -7.7 6.9 -12.7 146 39 B D H < S+ 0 0 73 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.834 112.2 48.1 -68.4 -33.2 -5.9 5.5 -15.8 147 40 B A H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.637 88.8 87.0 -80.4 -17.3 -4.0 8.8 -16.3 148 41 B W T 3< S+ 0 0 9 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.860 93.0 42.3 -50.7 -43.7 -2.9 9.0 -12.6 149 42 B S T 3 S+ 0 0 100 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.418 92.2 118.2 -86.3 0.5 0.2 6.9 -13.2 150 43 B A < - 0 0 22 -3,-1.8 -3,-0.0 -4,-0.1 -41,-0.0 -0.363 57.4-141.8 -77.0 145.5 1.2 8.5 -16.5 151 44 B T - 0 0 76 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.944 24.8-138.7-102.2 115.8 4.4 10.5 -17.2 152 45 B P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.383 20.4-110.1 -74.3 152.5 3.6 13.5 -19.4 153 46 B P G > S+ 0 0 86 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.842 116.7 54.9 -47.0 -45.3 6.0 14.5 -22.3 154 47 B K G 3 S+ 0 0 132 58,-0.5 3,-0.1 1,-0.3 59,-0.1 0.638 113.3 42.8 -68.1 -14.9 7.2 17.7 -20.5 155 48 B L G X S+ 0 0 9 -3,-1.8 3,-1.9 57,-0.1 -1,-0.3 0.205 76.9 111.1-116.1 12.8 8.2 15.7 -17.5 156 49 B E T < S+ 0 0 134 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.800 79.8 51.2 -56.9 -33.2 9.9 12.7 -19.2 157 50 B D T 3 S+ 0 0 167 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.374 95.6 95.9 -87.5 3.8 13.3 13.8 -18.0 158 51 B K S < S- 0 0 99 -3,-1.9 -3,-0.1 1,-0.1 0, 0.0 -0.661 79.8-109.5 -96.5 151.0 12.1 14.0 -14.4 159 52 B S > - 0 0 67 -2,-0.3 3,-2.1 1,-0.1 6,-0.4 -0.445 26.2-119.5 -70.3 148.5 12.4 11.4 -11.7 160 53 B P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.720 119.3 48.2 -61.8 -18.9 9.2 9.6 -10.5 161 54 B D T 3 S+ 0 0 115 4,-0.1 -2,-0.0 5,-0.0 -80,-0.0 0.251 87.5 123.3-103.4 8.9 10.0 11.1 -7.1 162 55 B S S <> S- 0 0 12 -3,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.244 76.9-112.0 -64.4 157.1 10.7 14.6 -8.4 163 56 B P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.881 118.3 55.0 -53.4 -40.3 8.7 17.6 -7.1 164 57 B E H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.907 107.9 46.0 -62.9 -45.4 7.1 18.0 -10.5 165 58 B M H > S+ 0 0 6 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.835 111.9 51.8 -71.3 -32.6 5.8 14.4 -10.6 166 59 B H H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.922 113.2 45.5 -61.1 -47.5 4.5 14.7 -7.0 167 60 B D H X S+ 0 0 62 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.911 113.0 51.0 -61.1 -45.3 2.7 17.8 -8.1 168 61 B F H X S+ 0 0 8 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.924 112.1 44.8 -60.6 -49.0 1.4 16.1 -11.2 169 62 B R H X S+ 0 0 26 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.824 108.8 58.0 -65.1 -33.5 0.0 13.1 -9.4 170 63 B H H X S+ 0 0 79 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.862 100.9 57.3 -64.7 -36.7 -1.5 15.4 -6.7 171 64 B G H X S+ 0 0 21 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.887 108.0 46.0 -60.6 -42.8 -3.5 17.1 -9.5 172 65 B F H X S+ 0 0 9 -4,-1.2 4,-3.0 2,-0.2 5,-0.2 0.870 108.6 55.7 -67.4 -38.5 -5.1 13.8 -10.5 173 66 B W H X S+ 0 0 65 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.912 111.8 44.6 -57.4 -44.6 -5.8 13.0 -6.9 174 67 B I H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.952 114.1 49.0 -62.1 -52.0 -7.7 16.3 -6.6 175 68 B L H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.896 110.1 50.7 -57.1 -45.5 -9.5 15.7 -10.0 176 69 B I H X S+ 0 0 5 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.904 110.3 49.8 -60.6 -43.4 -10.6 12.1 -9.1 177 70 B G H X S+ 0 0 28 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.887 112.0 48.5 -61.8 -40.8 -12.0 13.3 -5.8 178 71 B Q H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 112.3 47.8 -65.2 -43.2 -13.9 16.1 -7.6 179 72 B I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.912 111.3 52.3 -62.8 -43.8 -15.3 13.7 -10.2 180 73 B H H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.902 109.7 47.5 -57.6 -46.8 -16.3 11.3 -7.4 181 74 B D H X S+ 0 0 77 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.889 113.6 48.2 -65.3 -39.9 -18.2 14.0 -5.6 182 75 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 109.4 53.5 -63.2 -43.8 -19.9 15.0 -8.8 183 76 B L H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.893 104.7 54.8 -61.6 -41.5 -20.8 11.4 -9.6 184 77 B H H X S+ 0 0 31 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.940 108.1 49.0 -53.7 -50.4 -22.4 11.0 -6.2 185 78 B L H <>S+ 0 0 55 -4,-1.7 5,-2.5 1,-0.2 3,-0.4 0.913 111.6 49.7 -56.6 -44.0 -24.7 14.0 -6.9 186 79 B A H ><5S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 -52,-0.2 0.886 107.1 54.5 -62.2 -42.0 -25.5 12.4 -10.3 187 80 B N H 3<5S+ 0 0 26 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.4 52.8 -59.9 -30.1 -26.3 9.1 -8.7 188 81 B E T 3<5S- 0 0 23 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.334 122.1-106.0 -91.5 7.3 -28.8 10.9 -6.4 189 82 B G T < 5S+ 0 0 42 -3,-1.5 2,-1.6 1,-0.2 -3,-0.2 0.577 75.0 141.1 82.0 12.4 -30.6 12.5 -9.3 190 83 B K >< + 0 0 103 -5,-2.5 4,-1.9 1,-0.2 -1,-0.2 -0.592 17.1 162.0 -89.0 76.0 -29.1 15.9 -8.6 191 84 B V H > + 0 0 27 -2,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.966 68.5 42.5 -65.4 -59.4 -28.5 16.9 -12.3 192 85 B K H > S+ 0 0 165 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 116.5 49.1 -58.2 -40.6 -28.1 20.7 -12.0 193 86 B E H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 109.7 50.9 -71.7 -32.8 -25.9 20.4 -9.0 194 87 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.879 109.0 53.2 -65.1 -37.8 -23.7 17.8 -10.6 195 88 B Q H X S+ 0 0 32 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.852 107.6 50.3 -65.5 -36.8 -23.4 20.1 -13.6 196 89 B A H X S+ 0 0 61 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.853 109.8 51.1 -68.3 -35.3 -22.2 22.9 -11.3 197 90 B A H X S+ 0 0 26 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.890 109.0 50.2 -67.0 -40.6 -19.7 20.5 -9.8 198 91 B A H < S+ 0 0 2 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.869 108.8 53.5 -65.0 -39.9 -18.4 19.6 -13.3 199 92 B E H >< S+ 0 0 102 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.895 108.1 49.5 -56.6 -46.1 -18.0 23.3 -14.1 200 93 B Q H >< S+ 0 0 144 -4,-1.6 3,-1.4 1,-0.2 4,-0.3 0.820 100.8 61.9 -70.9 -31.6 -15.9 24.0 -11.0 201 94 B L T >X S+ 0 0 2 -4,-1.5 4,-1.5 1,-0.3 3,-0.9 0.606 80.5 84.2 -72.7 -9.7 -13.5 21.1 -11.6 202 95 B K H <> S+ 0 0 55 -3,-0.9 4,-3.1 -4,-0.4 -1,-0.3 0.826 81.2 65.6 -56.1 -32.9 -12.4 22.8 -14.9 203 96 B T H <> S+ 0 0 84 -3,-1.4 4,-2.4 -4,-0.3 -1,-0.2 0.865 99.8 49.3 -56.1 -39.6 -10.1 24.8 -12.6 204 97 B T H <> S+ 0 0 20 -3,-0.9 4,-1.8 -4,-0.3 5,-0.2 0.901 111.1 49.4 -66.6 -43.3 -8.2 21.6 -11.8 205 98 B C H X S+ 0 0 29 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.959 114.6 45.1 -55.8 -52.7 -8.0 20.8 -15.6 206 99 B N H X S+ 0 0 97 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.885 109.1 55.1 -62.6 -43.4 -6.7 24.3 -16.3 207 100 B A H X S+ 0 0 43 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.875 111.3 43.2 -60.7 -43.8 -4.2 24.4 -13.4 208 101 B C H X S+ 0 0 28 -4,-1.8 4,-3.2 2,-0.2 3,-0.4 0.914 114.2 50.7 -69.0 -43.1 -2.4 21.2 -14.4 209 102 B H H X S+ 0 0 59 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.913 102.2 62.3 -57.7 -46.0 -2.4 22.2 -18.1 210 103 B Q H < S+ 0 0 172 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 119.1 25.7 -45.3 -42.6 -0.9 25.6 -17.1 211 104 B K H < S+ 0 0 112 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.849 136.0 21.2 -92.1 -40.8 2.2 23.8 -15.8 212 105 B Y H < 0 0 28 -4,-3.2 -58,-0.5 -5,-0.1 -3,-0.2 0.520 360.0 360.0-120.6 -8.4 2.5 20.5 -17.6 213 106 B R < 0 0 208 -4,-1.8 -4,-0.0 -5,-0.4 0, 0.0 -0.557 360.0 360.0 -81.3 360.0 0.6 20.6 -20.9