==== 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 METAL BINDING PROTEIN 31-MAY-09 3HNL . 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) . 11568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 84.9 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 . 31 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 2 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 93 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.2 26.0 -7.5 22.2 2 2 A D > - 0 0 86 1,-0.1 4,-1.8 41,-0.0 5,-0.1 -0.355 360.0-103.4 -77.0 171.6 26.7 -10.0 19.4 3 3 A L H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.836 118.9 54.4 -71.7 -31.6 23.7 -11.9 18.0 4 4 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.952 108.2 47.1 -62.6 -52.7 24.5 -15.1 20.0 5 5 A D H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.898 110.7 52.9 -58.3 -44.0 24.5 -13.4 23.4 6 6 A N H X S+ 0 0 10 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.839 109.1 50.3 -57.0 -38.3 21.3 -11.5 22.6 7 7 A M H X S+ 0 0 44 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.851 109.3 50.1 -72.3 -38.3 19.6 -14.8 21.7 8 8 A E H X S+ 0 0 92 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.919 109.4 51.5 -63.0 -46.5 20.8 -16.5 25.0 9 9 A T H X S+ 0 0 49 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 112.4 47.3 -54.4 -47.1 19.5 -13.5 27.0 10 10 A L H X S+ 0 0 14 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.949 117.0 42.1 -58.6 -52.6 16.1 -13.9 25.2 11 11 A N H X S+ 0 0 98 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.926 115.4 48.9 -61.3 -50.0 16.1 -17.7 25.8 12 12 A D H X S+ 0 0 94 -4,-3.7 4,-2.1 1,-0.2 3,-0.2 0.893 111.3 48.7 -59.9 -45.6 17.3 -17.6 29.4 13 13 A N H X S+ 0 0 17 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.724 103.6 60.1 -73.5 -21.7 14.8 -14.9 30.5 14 14 A L H X S+ 0 0 11 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.882 109.3 45.2 -66.5 -37.3 11.9 -16.8 28.9 15 15 A K H X S+ 0 0 113 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.887 108.7 55.0 -74.1 -39.3 12.9 -19.6 31.3 16 16 A V H X S+ 0 0 70 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.940 110.1 47.8 -53.9 -47.4 13.2 -17.2 34.2 17 17 A I H >< S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.933 107.8 54.5 -62.4 -47.7 9.6 -16.0 33.5 18 18 A E H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 115.0 40.2 -51.1 -40.3 8.3 -19.6 33.3 19 19 A K H 3< S+ 0 0 176 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.475 90.7 122.8 -92.3 -2.7 9.8 -20.4 36.7 20 20 A A << - 0 0 8 -3,-1.2 3,-0.1 -4,-0.7 -3,-0.0 -0.227 41.4-169.4 -66.3 147.2 8.8 -17.0 38.4 21 21 A D + 0 0 153 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.419 69.1 35.8-112.4 -8.9 6.7 -16.8 41.5 22 22 A N S > S- 0 0 69 62,-0.1 4,-1.2 1,-0.1 3,-0.1 -0.942 79.9-110.3-142.3 170.3 6.0 -13.0 41.6 23 23 A A H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.827 111.0 59.3 -69.6 -35.1 5.4 -10.1 39.3 24 24 A A H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 104.0 51.7 -61.0 -42.6 8.8 -8.3 40.0 25 25 A Q H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 112.2 47.3 -59.2 -39.6 10.7 -11.4 38.7 26 26 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.920 111.0 50.5 -69.1 -45.2 8.6 -11.3 35.5 27 27 A K H X S+ 0 0 71 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.946 110.3 49.3 -58.7 -53.0 9.0 -7.6 35.0 28 28 A D H X S+ 0 0 64 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.888 111.8 48.5 -52.0 -47.3 12.8 -7.8 35.4 29 29 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.5 52.0 -62.9 -41.3 13.1 -10.7 32.9 30 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.889 108.6 49.0 -65.6 -41.2 10.9 -8.9 30.4 31 31 A T H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 109.7 53.0 -66.0 -35.7 13.0 -5.6 30.4 32 32 A K H X S+ 0 0 88 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.891 110.1 48.6 -62.8 -41.3 16.1 -7.7 30.0 33 33 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.918 109.8 51.5 -62.1 -46.4 14.5 -9.3 26.9 34 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.893 109.0 50.3 -60.1 -43.6 13.5 -5.9 25.5 35 35 A A H X S+ 0 0 35 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.826 110.7 49.7 -64.1 -34.9 17.0 -4.6 25.8 36 36 A A H X S+ 0 0 6 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.884 111.3 48.0 -72.7 -40.4 18.4 -7.6 24.0 37 37 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.882 111.3 51.1 -67.2 -39.7 16.0 -7.4 21.2 38 38 A A H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.895 112.7 46.4 -61.3 -42.6 16.7 -3.6 20.8 39 39 A D H >< S+ 0 0 43 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.829 108.3 55.8 -71.3 -32.3 20.4 -4.4 20.7 40 40 A A H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.667 86.6 86.5 -69.5 -18.3 19.8 -7.2 18.2 41 41 A W T << S+ 0 0 7 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.827 85.8 49.1 -56.6 -41.8 18.1 -4.7 15.9 42 42 A S T < S+ 0 0 90 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.399 92.0 112.5 -80.9 2.3 21.3 -3.5 14.2 43 43 A A < - 0 0 22 -3,-1.9 -41,-0.0 -4,-0.1 -3,-0.0 -0.377 57.8-145.3 -82.0 153.7 22.5 -7.1 13.5 44 44 A T - 0 0 67 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.972 22.4-136.1-113.4 113.7 23.0 -8.9 10.2 45 45 A P > - 0 0 5 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.378 24.9-111.1 -66.8 147.4 22.2 -12.6 10.5 46 46 A P G > S+ 0 0 101 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.842 117.3 55.5 -47.3 -39.4 24.7 -14.9 8.7 47 47 A K G 3 S+ 0 0 130 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.643 110.0 44.3 -74.2 -14.9 22.0 -15.9 6.1 48 48 A L G X S+ 0 0 8 -3,-2.0 3,-1.5 57,-0.1 -1,-0.3 0.165 80.1 109.0-107.6 18.4 21.3 -12.3 5.1 49 49 A E T < S+ 0 0 133 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.728 77.4 51.2 -70.3 -22.6 25.0 -11.3 4.9 50 50 A D T 3 S+ 0 0 129 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.3 0.376 95.2 90.3 -94.1 0.0 24.9 -11.0 1.1 51 51 A K S < S- 0 0 84 -3,-1.5 -3,-0.0 1,-0.1 0, 0.0 -0.700 86.4-101.6 -95.7 152.4 21.8 -8.8 1.1 52 52 A S > - 0 0 74 -2,-0.3 3,-2.3 1,-0.1 6,-0.3 -0.397 33.8-110.9 -69.8 149.7 22.0 -5.0 1.2 53 53 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.766 118.1 40.4 -52.8 -34.2 21.3 -3.3 4.6 54 54 A D T 3 S+ 0 0 85 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.076 84.9 130.1-109.4 23.5 18.0 -1.8 3.3 55 55 A S S <> S- 0 0 11 -3,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.320 74.9-108.0 -61.7 154.9 16.8 -4.9 1.3 56 56 A P H > S+ 0 0 101 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 121.4 55.0 -54.5 -37.3 13.2 -6.0 2.0 57 57 A E H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.895 108.8 46.3 -61.4 -42.5 14.7 -9.1 3.9 58 58 A M H > S+ 0 0 2 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.893 112.8 49.5 -70.0 -40.2 16.8 -6.9 6.2 59 59 A H H X S+ 0 0 49 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 113.6 46.7 -56.5 -47.0 13.8 -4.6 6.9 60 60 A D H X S+ 0 0 49 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.863 108.9 54.7 -67.7 -37.9 11.7 -7.6 7.6 61 61 A F H >X S+ 0 0 6 -4,-2.5 4,-1.0 2,-0.2 3,-0.5 0.953 111.7 44.2 -57.2 -50.9 14.4 -9.1 9.9 62 62 A R H >X S+ 0 0 34 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.884 108.7 58.1 -62.3 -38.1 14.4 -5.9 11.9 63 63 A H H 3X S+ 0 0 47 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.798 97.5 62.1 -60.9 -31.6 10.6 -5.9 11.8 64 64 A G H S+ 0 0 28 -4,-1.8 5,-2.5 1,-0.2 3,-0.4 0.919 108.7 49.6 -54.7 -46.1 0.1 -7.6 32.2 79 79 A A H ><5S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.889 107.9 52.7 -60.9 -42.4 2.6 -8.0 35.0 80 80 A N H 3<5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.718 104.6 56.5 -65.0 -24.7 2.1 -4.3 36.1 81 81 A E T 3<5S- 0 0 119 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.352 122.5-110.5 -85.6 1.7 -1.6 -5.1 36.3 82 82 A G T < 5S+ 0 0 54 -3,-1.5 2,-1.4 1,-0.2 -3,-0.2 0.627 75.9 138.0 79.0 14.5 -0.8 -7.9 38.7 83 83 A K >< + 0 0 82 -5,-2.5 4,-2.3 1,-0.2 5,-0.2 -0.539 19.1 163.3 -91.9 70.6 -1.7 -10.6 36.1 84 84 A V H > S+ 0 0 40 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.911 72.3 41.8 -59.5 -52.2 1.3 -12.9 36.9 85 85 A K H > S+ 0 0 175 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 115.8 51.1 -64.9 -39.9 0.0 -16.1 35.3 86 86 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.839 110.4 48.7 -64.6 -35.9 -1.3 -14.2 32.3 87 87 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.854 110.8 50.8 -72.3 -37.3 2.0 -12.5 31.8 88 88 A Q H X S+ 0 0 36 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.889 111.7 48.2 -63.9 -40.2 3.8 -15.8 32.0 89 89 A A H X S+ 0 0 56 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.900 110.8 50.1 -69.1 -41.8 1.4 -17.2 29.4 90 90 A A H X S+ 0 0 28 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.881 109.1 52.8 -59.9 -41.6 2.0 -14.2 27.1 91 91 A A H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.909 107.8 50.5 -62.6 -44.6 5.7 -14.6 27.5 92 92 A E H >< S+ 0 0 78 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.875 105.2 57.7 -56.4 -41.3 5.4 -18.3 26.5 93 93 A Q H >< S+ 0 0 129 -4,-1.8 3,-1.5 1,-0.3 4,-0.4 0.639 86.0 79.8 -67.5 -17.0 3.4 -17.2 23.4 94 94 A L T XX S+ 0 0 4 -3,-1.0 4,-2.0 -4,-0.6 3,-1.3 0.729 73.7 78.8 -57.7 -27.2 6.4 -15.0 22.3 95 95 A K H <> S+ 0 0 88 -3,-1.5 4,-2.9 -4,-0.3 -1,-0.3 0.765 82.7 63.7 -55.8 -27.6 7.9 -18.2 21.0 96 96 A T H <> S+ 0 0 88 -3,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.860 107.1 42.2 -64.1 -37.0 5.7 -17.9 18.0 97 97 A T H <> S+ 0 0 20 -3,-1.3 4,-1.4 -4,-0.4 -2,-0.2 0.839 113.1 53.0 -79.5 -35.2 7.4 -14.6 17.1 98 98 A C H X S+ 0 0 32 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.949 113.5 43.5 -57.3 -51.0 10.8 -16.2 17.9 99 99 A N H X S+ 0 0 79 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.830 104.8 62.9 -69.4 -36.5 10.1 -19.1 15.6 100 100 A A H X S+ 0 0 47 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.909 110.8 39.2 -57.7 -43.3 8.7 -16.9 12.8 101 101 A C H X S+ 0 0 23 -4,-1.4 4,-3.2 -3,-0.2 5,-0.5 0.939 113.9 53.4 -72.7 -46.2 12.0 -15.1 12.4 102 102 A H H X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.887 106.3 54.4 -52.5 -43.3 14.1 -18.3 12.9 103 103 A Q H < S+ 0 0 142 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.892 117.9 34.7 -61.0 -41.2 12.1 -20.0 10.1 104 104 A K H < S+ 0 0 115 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.922 136.1 15.1 -75.8 -46.8 12.9 -17.2 7.6 105 105 A Y H < 0 0 29 -4,-3.2 -58,-0.5 -5,-0.1 -3,-0.2 0.495 360.0 360.0-120.1 -7.4 16.4 -16.2 8.6 106 106 A R < 0 0 187 -4,-2.1 -4,-0.0 -5,-0.5 0, 0.0 -0.660 360.0 360.0 -94.0 360.0 18.1 -18.7 10.9 107 !* 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 92 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.4 25.6 4.9 17.6 109 2 B D > - 0 0 101 1,-0.1 4,-1.8 41,-0.0 5,-0.1 -0.303 360.0-110.1 -64.9 164.1 26.4 7.7 20.0 110 3 B L H > S+ 0 0 36 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.858 119.4 53.7 -69.7 -33.9 23.4 9.3 21.8 111 4 B E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.954 108.1 47.2 -59.7 -55.8 24.0 12.5 19.8 112 5 B D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.905 111.3 52.5 -54.2 -46.9 23.9 10.7 16.4 113 6 B N H X S+ 0 0 9 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.848 108.9 49.3 -58.4 -39.4 20.8 8.8 17.3 114 7 B M H X S+ 0 0 52 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.814 110.1 50.7 -70.7 -35.2 19.0 12.1 18.2 115 8 B E H X S+ 0 0 102 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.934 109.3 50.7 -66.4 -47.4 20.0 13.7 15.0 116 9 B T H X S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.925 112.9 47.2 -51.5 -49.3 18.7 10.7 13.0 117 10 B L H X S+ 0 0 15 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.928 117.2 42.3 -59.2 -49.7 15.4 11.0 14.9 118 11 B N H X S+ 0 0 97 -4,-2.4 4,-1.4 2,-0.2 3,-0.3 0.935 114.8 48.9 -63.5 -51.2 15.2 14.8 14.4 119 12 B D H X S+ 0 0 89 -4,-3.7 4,-1.9 1,-0.2 -2,-0.2 0.870 111.7 48.8 -60.7 -41.1 16.2 14.8 10.7 120 13 B N H X S+ 0 0 18 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.739 103.1 60.2 -75.5 -24.6 13.8 12.0 9.7 121 14 B L H X S+ 0 0 12 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.881 109.0 45.7 -62.7 -38.5 11.0 13.7 11.4 122 15 B K H X S+ 0 0 114 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.871 108.7 54.3 -72.6 -39.9 11.7 16.6 9.0 123 16 B V H X S+ 0 0 49 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.929 109.7 49.3 -54.8 -46.9 12.0 14.1 6.0 124 17 B I H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.938 107.9 52.4 -59.9 -50.6 8.5 12.8 6.9 125 18 B E H 3< S+ 0 0 96 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 115.4 41.7 -52.3 -39.7 7.0 16.3 7.2 126 19 B K H 3< S+ 0 0 160 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.531 89.7 122.6 -88.3 -8.1 8.3 17.2 3.7 127 20 B A << - 0 0 6 -3,-1.0 3,-0.1 -4,-0.9 -3,-0.1 -0.188 38.9-174.3 -62.7 145.0 7.4 13.8 2.1 128 21 B D + 0 0 162 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.316 68.6 44.9-118.6 1.5 5.1 13.5 -1.0 129 22 B N S > S- 0 0 82 1,-0.1 4,-1.1 62,-0.1 3,-0.1 -0.963 79.2-116.9-143.9 160.9 4.9 9.7 -1.2 130 23 B A H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.858 110.3 59.0 -65.1 -37.5 4.3 6.7 1.1 131 24 B A H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 103.3 51.8 -62.6 -42.0 7.8 5.1 0.4 132 25 B Q H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 112.1 47.1 -57.5 -40.8 9.6 8.3 1.7 133 26 B V H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.915 111.6 50.3 -70.7 -43.8 7.5 8.1 4.9 134 27 B K H X S+ 0 0 76 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.948 111.6 47.5 -58.1 -55.4 8.1 4.3 5.4 135 28 B D H X S+ 0 0 48 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.886 112.2 48.8 -53.7 -45.9 11.9 4.6 4.9 136 29 B A H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.899 110.3 51.9 -65.9 -39.0 12.2 7.6 7.3 137 30 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.881 108.4 50.1 -64.9 -41.0 10.1 5.8 10.0 138 31 B T H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.867 108.9 52.4 -66.4 -37.0 12.3 2.6 9.9 139 32 B K H X S+ 0 0 89 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.853 109.3 50.8 -64.5 -35.1 15.4 4.8 10.2 140 33 B M H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 109.3 49.5 -65.5 -46.8 13.8 6.4 13.3 141 34 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.897 109.5 52.1 -60.4 -43.0 13.0 3.0 14.8 142 35 B A H X S+ 0 0 35 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.846 110.2 48.9 -59.7 -37.4 16.6 1.8 14.3 143 36 B A H X S+ 0 0 6 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.897 111.9 47.8 -71.7 -42.1 18.0 4.9 16.0 144 37 B A H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.902 111.1 51.1 -64.0 -44.0 15.7 4.5 19.0 145 38 B A H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.886 113.0 46.3 -60.0 -40.6 16.6 0.8 19.3 146 39 B D H >< S+ 0 0 41 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.840 107.9 55.8 -72.6 -33.6 20.2 1.7 19.3 147 40 B A H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.661 86.1 87.9 -70.8 -14.0 19.7 4.5 21.8 148 41 B W T << S+ 0 0 6 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.817 86.0 48.2 -56.0 -41.6 18.2 1.9 24.2 149 42 B S T < S+ 0 0 82 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.398 91.9 112.2 -80.8 0.3 21.5 0.9 25.8 150 43 B A < - 0 0 22 -3,-1.9 -41,-0.0 -4,-0.1 -3,-0.0 -0.414 57.7-145.3 -83.9 150.6 22.6 4.5 26.4 151 44 B T - 0 0 61 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.966 22.7-135.1-111.6 114.4 23.1 6.3 29.6 152 45 B P > - 0 0 6 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.369 23.8-111.4 -66.1 145.7 22.2 10.1 29.4 153 46 B P G > S+ 0 0 101 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.834 117.9 55.5 -43.5 -42.2 24.6 12.5 31.0 154 47 B K G 3 S+ 0 0 127 58,-0.5 3,-0.2 1,-0.2 59,-0.1 0.683 110.5 43.3 -68.3 -23.1 22.0 13.4 33.7 155 48 B L G X S+ 0 0 2 -3,-2.0 3,-1.6 57,-0.1 -1,-0.2 0.196 79.7 109.8-106.5 16.2 21.6 9.7 34.8 156 49 B E T < S+ 0 0 137 -3,-1.2 -1,-0.1 -4,-0.3 -2,-0.1 0.723 78.2 50.4 -65.2 -24.4 25.3 8.9 34.7 157 50 B D T 3 S+ 0 0 128 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 0.337 96.0 89.6 -96.5 3.8 25.5 8.6 38.6 158 51 B K S < S- 0 0 75 -3,-1.6 -3,-0.0 1,-0.1 0, 0.0 -0.723 86.7-104.3 -98.0 151.5 22.5 6.3 38.7 159 52 B S > - 0 0 56 -2,-0.3 3,-2.3 1,-0.1 6,-0.3 -0.443 31.7-112.2 -73.0 150.0 22.8 2.5 38.5 160 53 B P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.735 117.5 43.2 -55.5 -26.2 21.9 0.8 35.2 161 54 B D T 3 S+ 0 0 104 4,-0.1 -2,-0.1 5,-0.0 0, 0.0 0.086 84.9 127.3-110.1 23.3 18.8 -0.9 36.7 162 55 B S S <> S- 0 0 15 -3,-2.3 4,-2.4 1,-0.1 3,-0.3 -0.372 76.4-108.4 -65.2 152.9 17.6 2.2 38.8 163 56 B P H > S+ 0 0 114 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.898 121.2 54.8 -49.9 -42.5 14.0 3.1 38.3 164 57 B E H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.864 108.4 47.7 -61.0 -39.4 15.1 6.2 36.3 165 58 B M H > S+ 0 0 2 -3,-0.3 4,-2.4 -6,-0.3 -1,-0.2 0.891 112.2 48.9 -69.9 -40.8 17.2 4.1 33.9 166 59 B H H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 114.2 46.8 -60.3 -42.6 14.3 1.7 33.4 167 60 B D H X S+ 0 0 55 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.856 109.0 54.1 -70.0 -37.8 12.0 4.7 32.7 168 61 B F H >X S+ 0 0 6 -4,-2.4 4,-1.0 2,-0.2 3,-0.6 0.962 112.5 44.0 -55.3 -53.1 14.6 6.3 30.4 169 62 B R H >X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.3 3,-0.5 0.881 108.1 59.0 -60.8 -39.0 14.6 3.0 28.4 170 63 B H H 3X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.815 97.1 62.4 -60.4 -31.9 10.8 2.9 28.6 171 64 B G H <>S+ 0 0 33 -4,-1.6 5,-2.4 2,-0.2 3,-0.6 0.920 108.7 48.7 -60.4 -45.5 -0.7 4.0 8.8 186 79 B A H ><5S+ 0 0 1 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.894 108.3 53.2 -60.1 -44.1 1.7 4.5 5.8 187 80 B N H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.655 104.8 55.9 -68.7 -17.8 1.3 0.8 4.8 188 81 B E T <<5S- 0 0 127 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.386 122.2-110.8 -88.1 -2.5 -2.4 1.3 4.8 189 82 B G T < 5S+ 0 0 56 -3,-1.7 2,-1.5 1,-0.2 3,-0.2 0.548 79.1 133.1 84.7 8.9 -1.9 4.2 2.3 190 83 B K >< + 0 0 91 -5,-2.4 4,-2.0 1,-0.2 -1,-0.2 -0.595 22.5 161.1 -91.1 72.5 -2.9 6.8 4.9 191 84 B V H > + 0 0 32 -2,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.923 69.8 45.5 -66.4 -50.0 0.1 9.1 4.1 192 85 B K H > S+ 0 0 172 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 114.2 51.0 -61.2 -39.2 -1.2 12.4 5.6 193 86 B E H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 110.0 49.3 -66.5 -38.2 -2.4 10.5 8.7 194 87 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.841 110.5 50.6 -69.7 -36.0 1.1 8.9 9.0 195 88 B Q H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.889 111.5 48.5 -65.2 -40.8 2.7 12.3 8.7 196 89 B A H X S+ 0 0 55 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.903 110.8 50.2 -65.9 -43.5 0.4 13.7 11.3 197 90 B A H X S+ 0 0 29 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.871 109.6 51.8 -60.1 -40.7 1.2 10.7 13.6 198 91 B A H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.909 108.1 50.9 -64.6 -43.7 4.9 11.3 13.1 199 92 B E H >< S+ 0 0 72 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.868 105.6 56.5 -59.7 -37.7 4.6 15.0 14.1 200 93 B Q H >< S+ 0 0 126 -4,-1.8 3,-1.3 1,-0.3 4,-0.3 0.605 86.6 80.0 -73.7 -12.0 2.7 14.0 17.2 201 94 B L T XX S+ 0 0 5 -3,-1.1 4,-2.0 -4,-0.5 3,-1.5 0.733 73.1 80.8 -58.9 -28.5 5.7 11.8 18.2 202 95 B K H <> S+ 0 0 84 -3,-1.4 4,-2.9 -4,-0.3 -1,-0.2 0.774 82.1 61.0 -54.4 -29.6 7.3 15.1 19.4 203 96 B T H <> S+ 0 0 93 -3,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.825 106.8 45.6 -68.5 -29.8 5.3 14.8 22.6 204 97 B T H <> S+ 0 0 16 -3,-1.5 4,-1.6 -4,-0.3 -2,-0.2 0.876 111.9 52.1 -76.1 -40.5 7.1 11.5 23.4 205 98 B C H X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.946 114.5 42.8 -51.7 -52.9 10.4 13.2 22.4 206 99 B N H X S+ 0 0 82 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.842 104.4 63.5 -69.7 -37.3 9.7 16.0 24.8 207 100 B A H X S+ 0 0 48 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.913 110.7 39.6 -53.2 -46.1 8.4 13.8 27.6 208 101 B C H X>S+ 0 0 22 -4,-1.6 4,-3.2 2,-0.2 5,-0.5 0.929 113.9 53.2 -69.9 -45.2 11.9 12.2 27.8 209 102 B H H X5S+ 0 0 48 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.887 106.3 54.2 -56.4 -40.5 13.8 15.4 27.3 210 103 B Q H <5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 118.1 34.3 -62.3 -42.8 11.9 17.1 30.1 211 104 B K H <5S+ 0 0 112 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.915 135.9 16.3 -76.1 -45.1 12.8 14.3 32.6 212 105 B Y H <5 0 0 17 -4,-3.2 -58,-0.5 -5,-0.1 -3,-0.2 0.539 360.0 360.0-120.6 -10.3 16.3 13.4 31.4 213 106 B R << 0 0 187 -4,-2.0 0, 0.0 -5,-0.5 0, 0.0 -0.678 360.0 360.0 -89.2 360.0 17.8 16.0 29.1