==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-JAN-09 3FYB . COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION (DUF1244); . SOURCE 2 ORGANISM_SCIENTIFIC: ALCANIVORAX BORKUMENSIS SK2; . AUTHOR A.U.SINGER,E.EVDOKIMOVA,O.KAGAN,A.M.EDWARDS,A.JOACHIMIAK,A.S . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 68.8 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 4 3 0 0 0 0 1 1 0 0 0 0 2 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 0 A G > 0 0 52 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-169.3 28.4 40.1 5.2 2 1 A X G > + 0 0 14 163,-0.3 3,-1.5 1,-0.3 8,-0.1 0.872 360.0 63.0 -61.5 -37.9 30.2 43.4 4.8 3 2 A A G 3 S+ 0 0 105 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.730 101.5 53.4 -57.9 -26.0 32.9 41.8 2.6 4 3 A D G < S+ 0 0 135 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.561 89.3 96.0 -87.4 -12.2 30.1 41.0 0.0 5 4 A I S < S- 0 0 22 -3,-1.5 154,-0.0 -4,-0.4 156,-0.0 -0.602 82.7-106.3 -88.1 139.9 28.7 44.5 -0.3 6 5 A D > - 0 0 81 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.268 29.5-117.4 -61.4 145.6 29.8 46.9 -3.1 7 6 A Q H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 111.4 54.4 -54.4 -46.4 32.2 49.7 -2.0 8 7 A A H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 111.8 44.8 -57.6 -43.2 29.8 52.6 -2.9 9 8 A S H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 111.5 53.4 -64.5 -45.1 27.0 51.1 -0.7 10 9 A K H X S+ 0 0 41 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.904 109.1 48.6 -57.4 -44.3 29.5 50.4 2.1 11 10 A T H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.930 112.0 48.9 -63.1 -44.3 30.7 54.0 2.1 12 11 A E H X S+ 0 0 67 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.895 112.9 48.4 -61.2 -40.0 27.1 55.3 2.1 13 12 A X H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.882 112.0 47.1 -68.8 -41.0 26.2 52.9 5.0 14 13 A E H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 114.7 48.1 -67.5 -44.3 29.2 53.9 7.1 15 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.919 112.3 48.8 -54.9 -53.2 28.4 57.6 6.4 16 15 A A H X S+ 0 0 7 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.884 110.4 51.4 -54.7 -42.7 24.7 57.0 7.3 17 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.892 110.0 49.9 -64.9 -40.1 25.8 55.2 10.6 18 17 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 109.9 48.8 -61.8 -51.0 28.0 58.2 11.5 19 18 A R H X S+ 0 0 65 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.899 109.5 54.9 -55.5 -38.4 25.2 60.7 10.8 20 19 A H H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 105.5 51.8 -60.5 -41.9 23.0 58.5 13.1 21 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.913 107.4 52.6 -60.4 -43.9 25.6 58.7 15.8 22 21 A L H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 110.6 47.6 -58.1 -43.1 25.5 62.5 15.5 23 22 A R H X S+ 0 0 113 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.920 110.5 52.6 -63.5 -44.5 21.7 62.5 15.9 24 23 A H H < S+ 0 0 15 -4,-2.6 4,-0.4 2,-0.2 3,-0.3 0.930 111.5 44.7 -54.6 -49.8 22.0 60.2 18.9 25 24 A L H >< S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 6,-0.3 0.898 111.6 53.6 -64.8 -38.1 24.5 62.4 20.7 26 25 A D H 3< S+ 0 0 65 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.767 107.4 52.2 -63.5 -28.4 22.4 65.5 19.8 27 26 A E T 3< S+ 0 0 133 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.482 110.9 49.5 -85.5 -5.1 19.3 63.7 21.4 28 27 A H X + 0 0 38 -3,-1.1 3,-2.4 -4,-0.4 -1,-0.2 -0.486 60.4 153.2-132.0 58.6 21.4 63.1 24.6 29 28 A K T 3 S+ 0 0 56 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.666 71.1 68.8 -68.0 -15.5 22.8 66.6 25.3 30 29 A D T 3 S+ 0 0 126 -3,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.580 76.0 96.1 -71.7 -17.0 22.9 65.5 29.0 31 30 A V S < S- 0 0 10 -3,-2.4 2,-0.2 -6,-0.3 -3,-0.1 -0.727 77.5-142.3 -77.9 109.9 25.7 63.0 28.0 32 31 A Q > - 0 0 49 -2,-0.8 4,-1.9 106,-0.1 3,-0.4 -0.528 12.8-132.6 -83.7 145.1 28.8 65.0 28.9 33 32 A N H > S+ 0 0 14 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.882 107.6 55.6 -58.1 -41.5 32.0 65.1 26.9 34 33 A I H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.884 107.2 49.8 -63.3 -33.5 34.1 64.6 30.0 35 34 A D H > S+ 0 0 31 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.886 109.0 51.4 -70.8 -39.5 32.2 61.4 30.8 36 35 A L H X>S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 6,-1.0 0.912 113.0 47.0 -57.6 -43.1 32.7 60.1 27.2 37 36 A X H X5S+ 0 0 45 -4,-2.4 4,-1.5 4,-0.3 -2,-0.2 0.950 114.2 45.6 -65.0 -52.5 36.4 60.8 27.7 38 37 A I H <5S+ 0 0 14 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.960 125.8 30.9 -52.3 -54.5 36.6 59.1 31.1 39 38 A Q H <5S+ 0 0 43 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.899 138.7 13.4 -74.0 -43.3 34.6 56.1 30.0 40 39 A A H <5S- 0 0 1 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.378 90.6-120.1-125.7 -3.2 35.4 55.6 26.3 41 40 A D S < - 0 0 6 -2,-0.3 4,-1.5 -7,-0.1 3,-0.4 -0.821 54.7 -70.3-151.0-168.9 33.9 62.7 22.9 44 43 A R H > S+ 0 0 6 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.869 127.9 57.2 -60.0 -32.3 32.1 65.0 20.5 45 44 A N H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 102.9 53.9 -70.7 -32.5 35.3 67.0 20.0 46 45 A C H > S+ 0 0 22 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.894 104.5 54.2 -67.4 -38.8 37.2 63.9 18.9 47 46 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.893 108.8 49.6 -61.6 -37.0 34.6 63.2 16.2 48 47 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.936 110.4 49.5 -66.0 -46.2 35.1 66.7 14.9 49 48 A K H X S+ 0 0 106 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.922 109.1 53.1 -56.3 -42.8 38.9 66.2 14.9 50 49 A W H X S+ 0 0 12 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.851 105.7 53.3 -65.6 -36.0 38.4 62.9 13.0 51 50 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.898 107.4 51.5 -61.5 -45.5 36.3 64.7 10.4 52 51 A X H X S+ 0 0 57 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 109.3 50.6 -57.2 -43.7 39.2 67.2 9.9 53 52 A E H X S+ 0 0 82 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.904 111.3 48.2 -59.8 -37.7 41.6 64.3 9.4 54 53 A A H X S+ 0 0 1 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.849 104.2 59.8 -74.6 -35.0 39.3 62.8 6.8 55 54 A A H X>S+ 0 0 1 -4,-2.7 5,-2.5 2,-0.2 4,-0.6 0.946 105.6 49.8 -54.4 -46.4 39.0 66.2 5.1 56 55 A T H ><5S+ 0 0 115 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.910 108.0 52.4 -57.8 -44.1 42.8 66.0 4.5 57 56 A E H 3<5S+ 0 0 137 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.2 47.1 -59.9 -33.0 42.5 62.5 3.1 58 57 A Q H 3<5S- 0 0 67 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.429 112.7-118.4 -91.7 1.9 39.9 63.8 0.7 59 58 A G T <<5S+ 0 0 66 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.783 75.3 120.4 69.0 26.1 41.9 66.9 -0.3 60 59 A V < - 0 0 27 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.739 63.0-110.3-119.6 169.1 39.3 69.3 1.0 61 60 A E + 0 0 168 -2,-0.2 2,-0.3 -3,-0.1 -9,-0.0 -0.857 39.7 152.4-108.1 130.9 39.3 72.0 3.7 62 61 A L - 0 0 17 -2,-0.5 2,-0.2 -10,-0.1 -6,-0.1 -0.898 23.2-157.5-150.3 124.2 37.6 71.8 7.1 63 62 A D > - 0 0 103 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.496 35.5 -99.6 -97.9 174.2 38.8 73.7 10.2 64 63 A Y H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.901 121.3 51.3 -63.9 -38.6 38.0 72.8 13.8 65 64 A D H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 11,-0.3 0.929 112.5 46.6 -64.1 -44.2 35.2 75.3 14.2 66 65 A G H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 35,-0.4 0.898 112.9 49.3 -63.0 -43.1 33.5 74.1 11.0 67 66 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.928 113.4 46.3 -61.6 -46.0 33.9 70.5 12.1 68 67 A R H X S+ 0 0 36 -4,-3.0 4,-3.5 2,-0.2 6,-0.4 0.905 108.2 55.9 -62.4 -41.1 32.4 71.2 15.5 69 68 A E H X S+ 0 0 102 -4,-2.6 4,-1.4 -5,-0.2 5,-0.4 0.926 111.6 45.2 -61.1 -38.9 29.5 73.2 14.0 70 69 A Y H < S+ 0 0 52 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.953 116.3 44.3 -66.3 -48.8 28.7 70.1 12.0 71 70 A V H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.935 121.6 37.5 -63.4 -45.5 29.0 67.7 14.9 72 71 A Y H < S- 0 0 5 -4,-3.5 -1,-0.2 2,-0.3 -2,-0.2 0.662 103.7-124.3 -85.3 -15.9 27.1 69.8 17.5 73 72 A G S < S+ 0 0 65 -4,-1.4 -3,-0.2 -5,-0.4 -4,-0.1 0.537 88.7 37.4 80.2 7.9 24.5 71.2 15.0 74 73 A X S S- 0 0 29 -5,-0.4 -2,-0.3 -6,-0.4 -1,-0.1 -0.935 111.7 -55.4-169.9 168.2 25.4 74.8 15.9 75 74 A P >> - 0 0 54 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.319 49.6-125.0 -54.2 136.1 28.6 76.7 16.7 76 75 A F H 3> S+ 0 0 33 -11,-0.3 4,-3.1 1,-0.2 5,-0.2 0.844 109.6 59.8 -49.5 -39.5 30.5 75.1 19.7 77 76 A A H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 107.4 44.5 -60.9 -36.7 30.4 78.4 21.6 78 77 A E H <> S+ 0 0 97 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.923 112.5 51.3 -74.3 -44.8 26.6 78.5 21.5 79 78 A W H X>S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 5,-0.8 0.928 110.3 50.3 -54.5 -47.9 26.3 74.8 22.5 80 79 A K H X5S+ 0 0 114 -4,-3.1 4,-0.8 3,-0.2 -1,-0.2 0.889 112.4 46.0 -58.2 -45.1 28.7 75.4 25.4 81 80 A T H <5S+ 0 0 123 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 121.8 36.5 -63.1 -43.6 26.7 78.4 26.7 82 81 A L H <5S+ 0 0 101 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.820 134.7 11.6 -83.5 -32.2 23.3 76.6 26.3 83 82 A Y H <5S+ 0 0 109 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.689 92.7 99.6-124.5 -26.5 24.1 73.1 27.3 84 83 A Q << - 0 0 67 -4,-0.8 -54,-0.1 -5,-0.8 -52,-0.0 -0.533 40.9-168.3 -85.5 136.2 27.5 72.5 28.9 85 84 A K - 0 0 159 -2,-0.3 3,-0.1 3,-0.0 -4,-0.0 -0.919 31.8-112.4-107.4 139.5 28.2 72.2 32.7 86 85 A P - 0 0 113 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.343 45.6 -82.1 -68.8 161.2 31.8 72.3 33.8 87 86 A A - 0 0 37 1,-0.1 2,-0.1 4,-0.1 3,-0.0 -0.150 40.2-126.4 -57.6 148.7 33.4 69.2 35.2 88 87 A S > - 0 0 54 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.469 31.2-103.4 -81.8 167.3 32.9 68.2 38.9 89 88 A E H > S+ 0 0 176 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 125.1 53.0 -55.3 -43.5 35.9 67.6 41.2 90 89 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 108.8 47.8 -63.2 -39.5 35.2 63.8 40.8 91 90 A Q H > S+ 0 0 26 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.924 112.0 49.4 -67.6 -43.3 35.1 64.0 37.0 92 91 A L H X S+ 0 0 98 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.962 114.4 45.9 -57.8 -53.4 38.4 66.0 36.9 93 92 A A H X S+ 0 0 60 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.884 113.9 48.0 -50.2 -49.3 40.0 63.4 39.3 94 93 A A H X S+ 0 0 35 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.799 112.8 48.4 -68.8 -29.9 38.6 60.5 37.2 95 94 A F H < S+ 0 0 81 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.909 112.2 48.6 -71.2 -46.1 39.9 62.1 34.0 96 95 A E H < S+ 0 0 150 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.779 108.0 57.5 -61.3 -28.7 43.2 62.6 35.6 97 96 A A H < 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.814 360.0 360.0 -71.0 -34.4 43.0 58.9 36.7 98 97 A K < 0 0 165 -4,-1.0 -3,-0.1 -3,-0.4 -60,-0.1 0.343 360.0 360.0-108.4 360.0 42.6 57.8 33.1 99 !* 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 0.0 100 0 B G > 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-159.5 32.4 74.5 6.5 101 1 B X G > + 0 0 12 -35,-0.4 3,-1.2 1,-0.3 8,-0.1 0.843 360.0 58.4 -64.8 -32.0 30.7 71.1 5.9 102 2 B A G 3 S+ 0 0 102 1,-0.2 -1,-0.3 7,-0.0 4,-0.1 0.652 102.6 57.5 -71.6 -11.7 28.0 72.6 3.8 103 3 B D G < S+ 0 0 133 -3,-1.5 2,-0.4 2,-0.1 -1,-0.2 0.451 86.2 93.9 -94.9 -6.1 30.7 73.9 1.4 104 4 B I S < S- 0 0 21 -3,-1.2 5,-0.1 -4,-0.3 -44,-0.0 -0.724 87.8-101.4 -90.6 138.8 32.2 70.5 0.7 105 5 B D > - 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0 0 32 -2,-0.8 4,-1.7 1,-0.1 3,-0.4 -0.425 17.5-121.5 -76.7 150.3 32.6 47.4 28.1 132 32 B N H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.829 112.4 60.3 -57.3 -33.7 29.3 47.8 26.2 133 33 B I H > S+ 0 0 85 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.921 103.6 49.3 -63.2 -40.9 27.5 48.3 29.5 134 34 B D H > S+ 0 0 57 -3,-0.4 4,-3.0 1,-0.2 5,-0.3 0.893 110.3 50.6 -66.6 -38.5 29.6 51.3 30.4 135 35 B L H X>S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 6,-0.9 0.913 111.3 48.8 -62.1 -42.4 28.9 52.8 27.0 136 36 B X H X5S+ 0 0 75 -4,-2.4 4,-1.4 4,-0.2 -2,-0.2 0.948 114.6 46.0 -62.0 -46.7 25.1 52.2 27.5 137 37 B I H <5S+ 0 0 111 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.955 125.2 28.8 -57.8 -54.7 25.4 53.8 31.0 138 38 B Q H <5S+ 0 0 51 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.718 138.5 17.5 -85.0 -23.0 27.4 56.9 29.9 139 39 B A H <5S- 0 0 0 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.491 89.3-123.6-132.0 -10.8 26.3 57.4 26.3 140 40 B D S < - 0 0 7 -2,-0.3 4,-1.8 -7,-0.1 3,-0.3 -0.841 53.1 -69.7-151.5-169.2 27.3 50.7 22.5 143 43 B R H > S+ 0 0 5 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.850 129.1 55.9 -61.2 -33.7 28.9 48.5 19.9 144 44 B N H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 105.0 53.8 -65.3 -36.7 25.7 46.6 19.3 145 45 B C H > S+ 0 0 21 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.918 105.4 52.3 -58.8 -48.4 23.9 49.9 18.6 146 46 B L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.908 110.1 49.7 -55.9 -41.9 26.5 50.8 15.9 147 47 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 110.4 49.2 -64.5 -44.7 25.8 47.4 14.3 148 48 B K H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 110.1 51.6 -58.7 -44.2 22.0 48.0 14.4 149 49 B W H X S+ 0 0 21 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.879 108.6 50.9 -61.9 -40.0 22.5 51.4 12.8 150 50 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.897 108.0 53.0 -61.9 -43.1 24.6 49.8 10.0 151 51 B X H X S+ 0 0 67 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.915 109.5 48.7 -54.3 -46.4 21.8 47.3 9.5 152 52 B E H X S+ 0 0 94 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.889 111.0 50.6 -63.5 -37.4 19.4 50.2 9.1 153 53 B A H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.882 104.3 57.3 -68.4 -39.8 21.8 51.9 6.6 154 54 B A H ><>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 3,-0.8 0.944 105.6 51.0 -53.7 -49.0 22.1 48.7 4.6 155 55 B T H ><5S+ 0 0 115 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.867 107.2 54.5 -53.1 -41.6 18.2 48.8 4.1 156 56 B E H 3<5S+ 0 0 122 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.792 109.6 48.2 -61.7 -30.7 18.6 52.4 3.0 157 57 B Q T <<5S- 0 0 65 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.395 115.1-111.6 -95.5 -1.0 21.1 51.2 0.3 158 58 B G T < 5S+ 0 0 74 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.772 80.8 112.7 75.0 25.9 19.0 48.3 -1.1 159 59 B V < - 0 0 39 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.931 66.5-113.8-126.4 154.4 21.4 45.7 0.3 160 60 B E + 0 0 145 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.722 35.1 160.8 -82.9 130.7 21.3 42.9 3.0 161 61 B L - 0 0 5 -2,-0.4 -6,-0.1 -10,-0.2 -7,-0.1 -0.877 23.6-158.1-143.6 109.3 23.4 43.1 6.2 162 62 B D > - 0 0 78 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.323 32.5 -97.6 -82.3 175.2 22.1 40.9 8.9 163 63 B Y H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.902 123.1 47.1 -63.6 -43.1 22.8 41.4 12.6 164 64 B D H > S+ 0 0 110 2,-0.2 4,-2.8 1,-0.2 11,-0.3 0.891 113.8 50.0 -64.5 -40.1 25.7 38.9 12.9 165 65 B G H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -163,-0.3 0.921 112.0 47.5 -59.3 -50.0 27.2 40.3 9.7 166 66 B A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.919 113.7 47.2 -60.9 -42.6 26.9 43.9 11.2 167 67 B R H X S+ 0 0 37 -4,-2.8 4,-3.1 2,-0.2 6,-0.4 0.913 107.2 56.0 -68.1 -40.5 28.5 42.8 14.5 168 68 B E H X S+ 0 0 102 -4,-2.8 4,-1.2 1,-0.2 5,-0.4 0.923 111.8 45.0 -56.6 -41.9 31.3 40.9 12.8 169 69 B Y H < S+ 0 0 49 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.948 116.5 43.6 -64.3 -50.7 32.2 44.1 11.0 170 70 B V H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.923 122.7 37.2 -62.5 -45.3 31.9 46.4 14.0 171 71 B Y H < S- 0 0 4 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.572 103.3-126.2 -84.6 -14.1 33.8 44.1 16.4 172 72 B G S < S+ 0 0 64 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.567 86.8 40.8 75.4 8.5 36.3 42.8 13.9 173 73 B X S S- 0 0 29 -5,-0.4 -2,-0.2 -6,-0.4 5,-0.1 -0.922 110.5 -60.1-169.2 164.2 35.5 39.2 14.5 174 74 B P >> - 0 0 55 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.249 48.5-125.6 -54.1 136.7 32.3 37.1 15.1 175 75 B F H 3> S+ 0 0 28 -11,-0.3 4,-3.3 1,-0.2 5,-0.2 0.856 108.6 60.9 -53.4 -39.1 30.5 38.5 18.3 176 76 B A H 3> S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 108.3 44.1 -54.2 -44.0 30.4 35.0 19.9 177 77 B E H <> S+ 0 0 100 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.893 113.4 50.6 -72.0 -38.6 34.2 35.0 19.8 178 78 B W H X>S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.8 0.918 108.2 52.9 -63.2 -42.7 34.4 38.6 21.0 179 79 B K H X5S+ 0 0 114 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.924 110.9 46.0 -61.7 -44.5 32.1 37.8 23.9 180 80 B T H <5S+ 0 0 116 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.820 121.8 36.7 -67.7 -32.5 34.2 34.8 25.1 181 81 B L H <5S+ 0 0 103 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.828 133.8 14.6 -88.9 -34.8 37.5 36.7 24.8 182 82 B Y H <5S+ 0 0 93 -4,-3.0 2,-0.4 -5,-0.2 -3,-0.2 0.647 93.5 96.9-120.5 -24.1 36.6 40.2 26.0 183 83 B Q << - 0 0 66 -4,-1.2 -54,-0.0 -5,-0.8 -55,-0.0 -0.636 47.2-170.2 -87.2 130.8 33.2 40.5 27.7 184 84 B K - 0 0 57 -2,-0.4 3,-0.1 1,-0.0 2,-0.1 -0.804 33.3 -96.3-109.7 152.7 33.1 40.4 31.5 185 85 B P - 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.422 52.3 -97.8 -63.0 146.2 30.0 40.1 33.8 186 86 B A 0 0 65 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.500 360.0 360.0 -70.3 129.7 28.7 43.5 35.0 187 87 B S 0 0 173 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.329 360.0 360.0 -64.7 360.0 29.9 44.5 38.5