==== 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 OXIDOREDUCTASE 14-FEB-05 1YV1 . COMPND 2 MOLECULE: NIGERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR R.B.IYER,R.SILAGHI-DUMITRESCU,D.M.KURTZ,W.N.LANZILOTTA . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 67.1 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 4 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 . 2 2 2 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 2 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 40 0, 0.0 2,-0.1 0, 0.0 364,-0.1 0.000 360.0 360.0 360.0 125.1 45.2 63.8 18.6 2 2 A K - 0 0 72 366,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.403 360.0-111.5 -78.4 151.1 48.3 61.6 18.6 3 3 A V - 0 0 73 -2,-0.1 2,-0.1 4,-0.0 -1,-0.1 -0.737 34.1-156.2 -85.1 120.8 50.0 60.2 15.5 4 4 A R - 0 0 41 -2,-0.6 364,-0.1 186,-0.4 -1,-0.0 -0.380 31.7-105.4 -88.9 171.8 49.5 56.4 15.3 5 5 A A S S+ 0 0 95 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.739 106.6 32.5 -69.5 -22.4 51.8 54.0 13.4 6 6 A Q S S- 0 0 88 6,-0.1 -2,-0.3 184,-0.1 187,-0.1 -0.919 98.1 -90.4-133.7 159.7 49.1 53.8 10.8 7 7 A V - 0 0 42 -2,-0.3 5,-0.1 1,-0.1 184,-0.1 -0.510 51.6-110.7 -69.1 128.8 46.4 56.1 9.3 8 8 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.373 47.3 164.1 -65.1 136.2 43.1 55.7 11.3 9 9 A T > - 0 0 52 -2,-0.1 4,-1.6 -3,-0.0 3,-0.2 -0.906 55.0 -99.9-143.5 169.2 40.2 54.0 9.5 10 10 A V T 4 S+ 0 0 23 -2,-0.3 6,-0.1 1,-0.2 130,-0.0 0.763 122.8 56.8 -64.7 -21.7 36.9 52.4 10.4 11 11 A K T 4 S+ 0 0 193 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.869 118.3 25.7 -77.9 -38.2 38.8 49.1 10.1 12 12 A N T 4 S+ 0 0 53 -3,-0.2 2,-0.3 -5,-0.1 -2,-0.2 0.417 107.5 81.6-108.6 1.8 41.6 49.8 12.6 13 13 A A < - 0 0 12 -4,-1.6 3,-0.2 1,-0.1 0, 0.0 -0.734 57.2-154.2-108.1 158.0 40.0 52.4 15.0 14 14 A T S S+ 0 0 50 -2,-0.3 294,-0.4 1,-0.2 3,-0.2 0.158 79.6 75.8-117.4 20.3 37.6 51.9 17.9 15 15 A N + 0 0 5 1,-0.1 -1,-0.2 293,-0.1 -5,-0.0 -0.183 66.5 95.3-119.9 40.1 35.8 55.2 18.0 16 16 A F + 0 0 5 -3,-0.2 2,-0.1 -6,-0.1 -1,-0.1 0.200 49.5 122.2-111.8 12.8 33.5 54.6 15.1 17 17 A N - 0 0 58 -3,-0.2 2,-0.3 1,-0.0 108,-0.1 -0.490 56.2-133.5 -74.7 148.2 30.4 53.3 16.9 18 18 A M - 0 0 71 106,-0.1 103,-0.2 -2,-0.1 4,-0.1 -0.790 25.1 -97.2-104.8 148.3 27.2 55.3 16.4 19 19 A V - 0 0 34 101,-1.8 3,-0.3 -2,-0.3 -1,-0.1 -0.300 24.6-136.4 -61.0 143.1 24.8 56.4 19.1 20 20 A A S S+ 0 0 108 1,-0.3 2,-1.5 2,-0.1 -1,-0.1 0.916 100.6 54.1 -67.7 -45.9 21.8 54.1 19.6 21 21 A D S S- 0 0 128 2,-0.0 -1,-0.3 -3,-0.0 -2,-0.1 -0.590 88.2-170.5 -91.2 75.3 19.3 57.0 19.9 22 22 A S - 0 0 44 -2,-1.5 -2,-0.1 -3,-0.3 99,-0.0 -0.331 29.5-164.6 -71.1 146.7 20.3 58.6 16.6 23 23 A K + 0 0 155 94,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.072 62.8 106.3-111.9 17.0 19.0 62.0 15.5 24 24 A T - 0 0 21 97,-0.0 2,-0.6 2,-0.0 -2,-0.1 -0.863 64.6-142.7-107.5 131.9 20.1 61.2 12.0 25 25 A S - 0 0 113 -2,-0.4 2,-0.6 7,-0.0 10,-0.1 -0.805 24.2-156.4 -88.7 120.0 17.8 60.4 9.0 26 26 A V + 0 0 69 -2,-0.6 2,-0.1 99,-0.0 3,-0.1 -0.888 25.9 148.5-107.8 121.4 19.6 57.7 7.0 27 27 A G - 0 0 18 -2,-0.6 -1,-0.0 1,-0.4 2,-0.0 -0.180 56.3 -31.8-120.3-146.2 18.9 57.2 3.3 28 28 A S > - 0 0 38 1,-0.1 4,-2.6 -2,-0.1 -1,-0.4 -0.299 64.9-106.4 -70.1 163.2 20.9 56.1 0.3 29 29 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 123.5 55.0 -59.3 -36.6 24.6 57.1 0.3 30 30 A L H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 110.4 44.3 -60.2 -48.9 23.8 59.7 -2.3 31 31 A E H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.860 113.3 52.0 -63.8 -35.6 21.2 61.2 -0.1 32 32 A N H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.877 106.4 52.6 -70.2 -37.8 23.5 61.0 2.9 33 33 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.918 111.8 47.1 -63.0 -41.6 26.3 62.8 1.0 34 34 A K H X S+ 0 0 61 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.891 111.3 50.7 -66.2 -39.6 23.9 65.6 0.2 35 35 A A H X S+ 0 0 45 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 110.3 50.2 -65.2 -39.1 22.7 65.7 3.8 36 36 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.928 109.3 50.7 -65.3 -44.7 26.3 65.9 5.0 37 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.909 109.4 51.3 -59.5 -41.9 27.0 68.8 2.5 38 38 A A H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.923 112.9 45.7 -61.1 -43.6 24.0 70.6 3.8 39 39 A G H X S+ 0 0 33 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.894 112.8 49.5 -65.9 -40.6 25.2 70.2 7.4 40 40 A E H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.873 109.6 52.1 -64.7 -39.6 28.7 71.2 6.4 41 41 A T H X S+ 0 0 21 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.895 110.2 48.6 -64.6 -40.2 27.4 74.3 4.7 42 42 A G H X S+ 0 0 25 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.905 110.8 51.2 -66.0 -40.0 25.5 75.2 7.8 43 43 A A H X S+ 0 0 6 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.910 108.4 51.2 -63.6 -43.0 28.6 74.7 9.9 44 44 A H H X S+ 0 0 60 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 112.7 45.3 -61.5 -42.6 30.7 76.9 7.7 45 45 A A H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.898 113.8 51.3 -66.4 -40.2 28.1 79.7 7.9 46 46 A K H X S+ 0 0 39 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.954 113.0 42.8 -60.8 -53.1 27.8 79.2 11.6 47 47 A Y H X S+ 0 0 2 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.831 111.3 55.3 -66.2 -32.6 31.6 79.4 12.2 48 48 A T H X S+ 0 0 70 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.921 111.4 45.1 -65.6 -41.3 31.9 82.3 9.9 49 49 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.882 111.9 52.0 -68.1 -38.8 29.3 84.1 12.0 50 50 A F H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.848 108.2 51.6 -66.7 -33.8 31.0 83.0 15.2 51 51 A A H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.925 109.1 50.3 -67.8 -44.5 34.3 84.4 14.0 52 52 A K H X S+ 0 0 129 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.942 114.5 44.2 -57.7 -48.9 32.8 87.7 13.2 53 53 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.911 109.0 57.4 -63.2 -42.7 31.2 87.9 16.6 54 54 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.5 0.906 107.4 47.8 -56.0 -43.7 34.4 86.7 18.3 55 55 A R H ><5S+ 0 0 116 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.916 112.4 47.9 -64.9 -41.8 36.3 89.7 16.8 56 56 A E H 3<5S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 111.8 52.4 -67.2 -28.8 33.6 92.2 17.8 57 57 A Q T 3<5S- 0 0 73 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.508 120.8-109.9 -84.9 -6.5 33.7 90.5 21.3 58 58 A G T < 5S+ 0 0 63 -3,-1.0 2,-0.8 -4,-0.5 -3,-0.2 0.633 79.1 124.5 89.6 14.5 37.5 90.9 21.5 59 59 A Y >< + 0 0 44 -5,-2.8 4,-2.0 1,-0.2 5,-0.1 -0.731 25.7 167.8-107.8 83.0 38.7 87.3 21.2 60 60 A E H > S+ 0 0 98 -2,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.886 75.2 48.1 -64.0 -41.1 41.1 87.4 18.3 61 61 A Q H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 112.6 47.9 -67.9 -42.4 42.6 84.0 18.8 62 62 A I H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 108.5 56.1 -64.5 -35.5 39.2 82.3 19.1 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.923 106.4 50.5 -60.3 -43.2 38.1 84.2 16.0 64 64 A R H X S+ 0 0 23 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.852 108.2 52.5 -63.6 -34.7 41.0 82.6 14.2 65 65 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.918 109.4 48.7 -67.7 -42.5 40.0 79.2 15.4 66 66 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.884 112.7 49.0 -63.0 -37.4 36.5 79.7 14.1 67 67 A E H X S+ 0 0 73 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.895 111.5 48.5 -69.1 -39.7 37.9 80.8 10.8 68 68 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.897 113.3 47.3 -66.8 -39.9 40.2 77.8 10.6 69 69 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.872 108.7 54.3 -70.6 -35.0 37.4 75.4 11.4 70 70 A A H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.931 109.0 49.2 -62.2 -42.7 35.1 77.1 8.9 71 71 A A H X S+ 0 0 17 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.868 107.1 56.4 -63.1 -35.4 37.8 76.5 6.3 72 72 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.905 105.2 50.3 -63.7 -40.9 38.0 72.9 7.5 73 73 A E H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.832 105.3 57.2 -67.7 -29.7 34.3 72.4 6.8 74 74 A L H X S+ 0 0 96 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.848 104.6 52.8 -67.8 -32.1 34.8 73.8 3.3 75 75 A I H X S+ 0 0 32 -4,-1.4 4,-2.0 -3,-0.2 -2,-0.2 0.915 108.5 49.5 -67.5 -43.0 37.4 71.1 2.8 76 76 A H H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.901 109.0 52.6 -62.7 -40.9 34.8 68.5 3.8 77 77 A I H X S+ 0 0 9 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.907 107.8 52.1 -61.0 -41.8 32.3 70.0 1.4 78 78 A G H X S+ 0 0 38 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.907 110.7 47.1 -61.8 -42.1 34.9 69.8 -1.4 79 79 A L H X S+ 0 0 56 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.913 117.6 41.4 -66.0 -44.1 35.4 66.1 -0.7 80 80 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.870 113.0 53.3 -73.2 -37.2 31.8 65.2 -0.5 81 81 A Y H X S+ 0 0 83 -4,-3.0 4,-3.1 -5,-0.2 5,-0.3 0.893 102.7 58.4 -65.2 -40.7 30.8 67.4 -3.5 82 82 A A H X S+ 0 0 57 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.899 111.4 42.3 -56.0 -41.2 33.4 65.7 -5.7 83 83 A L H X S+ 0 0 17 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.926 114.2 49.2 -72.4 -45.9 31.7 62.4 -5.0 84 84 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 7,-0.2 0.898 107.7 55.4 -60.8 -41.2 28.1 63.7 -5.3 85 85 A A H < S+ 0 0 24 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 108.8 48.2 -59.2 -37.7 28.9 65.4 -8.6 86 86 A E H < S+ 0 0 122 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.884 116.5 42.6 -69.0 -39.1 30.2 62.0 -10.0 87 87 A M H < S+ 0 0 75 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.693 137.2 13.4 -80.1 -22.0 27.0 60.3 -8.7 88 88 A E S >< S- 0 0 67 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.3 -0.607 72.3-165.3-157.4 85.1 24.7 63.2 -9.9 89 89 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 85.7 51.0 -40.7 -49.1 26.6 65.6 -12.3 90 90 A G T 3 S+ 0 0 73 2,-0.1 -5,-0.1 -5,-0.0 0, 0.0 0.504 78.3 136.6 -76.4 -3.4 24.0 68.4 -12.2 91 91 A Y < - 0 0 22 -3,-2.1 2,-0.5 -7,-0.2 -3,-0.1 -0.117 42.0-150.6 -48.0 134.5 23.9 68.5 -8.4 92 92 A E - 0 0 165 -7,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.943 15.7-121.4-114.0 126.5 23.9 72.1 -7.0 93 93 A K - 0 0 96 -2,-0.5 -59,-0.0 1,-0.1 -55,-0.0 -0.399 34.6-115.8 -64.8 138.0 25.4 72.8 -3.5 94 94 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.224 16.6-133.8 -72.1 162.5 22.9 74.4 -1.1 95 95 A T - 0 0 136 -53,-0.0 2,-0.4 -2,-0.0 -53,-0.1 -0.979 18.8-166.3-119.7 130.3 23.1 77.9 0.4 96 96 A V - 0 0 55 -2,-0.4 2,-0.0 -55,-0.2 0, 0.0 -0.974 18.8-124.5-121.6 131.5 22.5 78.3 4.1 97 97 A A - 0 0 93 -2,-0.4 -52,-0.1 1,-0.1 -51,-0.1 -0.276 41.1 -86.0 -68.7 156.6 21.9 81.7 5.8 98 98 A A - 0 0 77 1,-0.1 -1,-0.1 -53,-0.1 -52,-0.1 -0.477 49.0-135.3 -66.2 124.8 24.1 82.9 8.7 99 99 A P - 0 0 56 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.189 34.2 -73.3 -75.3 171.7 22.7 81.5 12.0 100 100 A S - 0 0 84 1,-0.0 2,-0.4 -50,-0.0 -50,-0.1 -0.427 46.1-148.9 -69.9 137.7 22.2 83.5 15.2 101 101 A A + 0 0 47 -2,-0.1 2,-0.2 -3,-0.1 3,-0.1 -0.845 17.5 176.9-108.9 146.0 25.4 84.3 17.1 102 102 A Y - 0 0 129 -2,-0.4 5,-0.1 1,-0.3 120,-0.0 -0.404 48.5 -33.7-125.4-158.4 25.6 84.6 20.9 103 103 A S > - 0 0 36 -2,-0.2 4,-2.2 1,-0.1 -1,-0.3 -0.288 64.5-109.8 -63.4 153.5 28.4 85.3 23.4 104 104 A C H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 116.2 52.0 -51.6 -47.4 31.8 83.8 22.5 105 105 A D H > S+ 0 0 2 112,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.928 111.5 46.8 -58.7 -44.8 31.7 81.1 25.2 106 106 A L H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.851 109.1 54.9 -65.6 -34.8 28.3 79.9 24.2 107 107 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.882 105.7 52.4 -66.1 -37.5 29.3 79.8 20.5 108 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.903 111.9 46.4 -63.5 -40.4 32.2 77.6 21.4 109 109 A I H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.916 110.3 51.9 -67.6 -44.2 29.8 75.2 23.1 110 110 A S H X S+ 0 0 46 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.909 111.8 48.7 -58.0 -42.2 27.4 75.3 20.2 111 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.949 110.5 49.3 -62.6 -49.7 30.2 74.4 18.0 112 112 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.899 108.8 53.7 -57.1 -43.2 31.4 71.6 20.2 113 113 A N H X S+ 0 0 67 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.894 110.3 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0.872 108.4 52.4 -63.3 -36.9 41.6 55.5 35.2 268 65 B L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.929 110.1 47.6 -65.4 -43.7 40.2 58.7 33.7 269 66 B F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.881 112.9 49.6 -63.6 -37.7 36.6 57.6 34.4 270 67 B E H X S+ 0 0 60 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.898 111.5 48.1 -68.2 -40.0 37.7 56.7 38.0 271 68 B A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.902 113.4 47.6 -66.8 -41.2 39.4 60.0 38.5 272 69 B T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.870 108.3 54.2 -69.5 -36.1 36.3 61.9 37.2 273 70 B A H X S+ 0 0 5 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.938 109.4 49.3 -61.2 -43.1 34.0 59.8 39.4 274 71 B A H X S+ 0 0 17 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.856 106.5 56.9 -63.2 -34.4 36.1 60.9 42.3 275 72 B A H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.895 104.0 51.8 -64.7 -38.9 35.9 64.5 41.2 276 73 B E H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.835 103.7 57.8 -68.8 -29.2 32.1 64.4 41.3 277 74 B L H X S+ 0 0 96 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.857 103.9 53.6 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22.5 71.9 52.2 288 85 B A H 3< S+ 0 0 26 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 100.0 59.9 -55.7 -31.5 23.2 70.3 55.6 289 86 B E H 3< S+ 0 0 86 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.867 115.7 31.3 -67.0 -37.7 23.5 73.8 57.1 290 87 B M H << S+ 0 0 94 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.809 136.2 26.3 -88.7 -33.6 19.9 74.8 56.2 291 88 B E >< + 0 0 70 -4,-3.2 3,-2.2 -5,-0.2 -1,-0.2 -0.745 61.6 178.5-134.3 86.1 18.5 71.3 56.5 292 89 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.764 84.0 61.0 -56.4 -27.0 20.5 69.0 59.0 293 90 B G T 3 S+ 0 0 58 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.565 77.4 117.6 -79.3 -8.4 18.0 66.3 58.3 294 91 B Y < - 0 0 25 -3,-2.2 2,-0.4 -7,-0.2 -3,-0.0 -0.358 50.1-158.5 -62.5 134.8 18.8 66.2 54.6 295 92 B E - 0 0 129 -2,-0.1 -2,-0.1 -7,-0.0 -1,-0.0 -0.961 21.2-114.5-119.4 133.1 20.3 62.8 53.5 296 93 B K - 0 0 100 -2,-0.4 -59,-0.0 1,-0.1 2,-0.0 -0.402 38.8-120.1 -63.3 136.9 22.4 62.4 50.3 297 94 B P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.268 17.1-145.6 -76.7 164.2 20.6 60.2 47.8 298 95 B T - 0 0 134 -2,-0.0 2,-0.3 -53,-0.0 -53,-0.1 -0.967 14.9-164.1-128.5 144.9 21.8 56.9 46.3 299 96 B V - 0 0 73 -2,-0.4 2,-0.1 -55,-0.2 -58,-0.0 -0.890 22.0-107.4-129.4 160.7 21.2 55.8 42.8 300 97 B A - 0 0 89 -2,-0.3 -52,-0.1 1,-0.1 0, 0.0 -0.456 44.4 -97.6 -81.9 159.0 21.4 52.5 40.9 301 98 B A - 0 0 80 -2,-0.1 2,-0.1 1,-0.1 -52,-0.1 -0.577 36.7-140.6 -79.8 138.4 24.2 52.0 38.3 302 99 B P - 0 0 59 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.366 31.1 -82.1 -89.7 174.0 23.3 52.6 34.7 303 100 B S - 0 0 78 -2,-0.1 2,-0.4 -50,-0.0 -50,-0.1 -0.460 34.9-147.0 -77.7 150.9 24.5 50.5 31.7 304 101 B A - 0 0 36 -2,-0.1 3,-0.1 -52,-0.1 2,-0.1 -0.964 19.1-177.3-117.7 133.4 27.9 51.0 30.1 305 102 B Y - 0 0 154 -2,-0.4 5,-0.1 1,-0.3 -1,-0.0 -0.079 49.5 -23.6-109.2-150.0 28.3 50.5 26.4 306 103 B S > - 0 0 46 1,-0.1 4,-1.9 -2,-0.1 -1,-0.3 -0.345 66.7-117.3 -61.5 144.6 31.3 50.7 24.0 307 104 B C H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.856 111.0 53.9 -52.3 -44.5 34.1 52.8 25.5 308 105 B D H > S+ 0 0 1 -294,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.932 111.2 45.4 -60.6 -43.9 34.0 55.4 22.7 309 106 B L H > S+ 0 0 29 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.829 109.3 56.2 -69.1 -29.8 30.3 56.1 23.2 310 107 B N H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.901 106.0 51.2 -67.3 -38.6 30.7 56.2 26.9 311 108 B L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.893 111.4 47.7 -63.3 -39.8 33.3 59.0 26.5 312 109 B I H X S+ 0 0 4 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.917 110.5 51.0 -67.3 -43.2 30.8 60.9 24.3 313 110 B S H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 112.4 48.3 -59.3 -42.5 28.0 60.4 26.8 314 111 B G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.956 111.2 49.0 -62.2 -50.2 30.4 61.7 29.5 315 112 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.903 110.2 51.5 -57.0 -43.7 31.4 64.7 27.4 316 113 B N H X S+ 0 0 66 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.890 110.9 47.5 -63.0 -39.1 27.8 65.6 26.7 317 114 B G H X S+ 0 0 18 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.921 112.4 49.5 -67.1 -43.1 26.8 65.5 30.3 318 115 B E H X S+ 0 0 0 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