==== 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 1YUX . 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 . 402 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 66.9 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 . 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 . 18 4.5 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 . 205 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 1 1 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 43 0, 0.0 2,-0.2 0, 0.0 363,-0.1 0.000 360.0 360.0 360.0 123.3 45.1 63.4 18.4 2 2 A K - 0 0 73 365,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.470 360.0-112.6 -79.9 146.9 48.2 61.2 18.3 3 3 A V - 0 0 65 -2,-0.2 2,-0.1 4,-0.0 4,-0.1 -0.700 35.9-155.0 -80.8 115.9 49.8 59.9 15.1 4 4 A R - 0 0 40 -2,-0.7 363,-0.1 185,-0.4 -1,-0.0 -0.368 30.0-107.8 -84.9 168.9 49.4 56.1 15.0 5 5 A A S S+ 0 0 96 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.817 107.9 41.9 -65.5 -28.9 51.6 53.7 13.1 6 6 A Q S S- 0 0 80 6,-0.1 -2,-0.3 183,-0.0 3,-0.0 -0.835 98.1 -99.4-119.3 156.6 48.7 53.3 10.8 7 7 A V - 0 0 50 -2,-0.3 5,-0.1 1,-0.1 183,-0.1 -0.586 50.9-106.9 -72.2 128.4 46.1 55.7 9.2 8 8 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.341 51.5 162.0 -61.4 133.0 42.9 55.5 11.3 9 9 A T >> - 0 0 42 -2,-0.1 4,-1.6 -3,-0.0 3,-0.5 -0.923 56.4-101.0-144.4 167.9 40.0 53.7 9.6 10 10 A V T 34 S+ 0 0 23 -2,-0.3 6,-0.1 1,-0.2 -1,-0.0 0.755 122.5 56.2 -63.4 -20.6 36.8 52.0 10.5 11 11 A K T 34 S+ 0 0 194 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.805 118.2 26.4 -81.9 -32.1 38.7 48.8 10.2 12 12 A N T <4 S+ 0 0 50 -3,-0.5 2,-0.3 -5,-0.1 -2,-0.2 0.400 108.2 80.7-113.3 2.9 41.5 49.5 12.7 13 13 A A < - 0 0 14 -4,-1.6 3,-0.2 1,-0.1 0, 0.0 -0.732 56.8-155.2-109.6 159.1 39.8 52.0 15.0 14 14 A T S S+ 0 0 48 -2,-0.3 293,-0.4 1,-0.1 3,-0.2 0.177 79.4 76.2-118.5 18.0 37.5 51.5 18.0 15 15 A N + 0 0 7 1,-0.1 -1,-0.1 292,-0.1 -5,-0.1 -0.135 66.5 94.6-117.7 38.4 35.6 54.8 18.1 16 16 A F + 0 0 4 -3,-0.2 2,-0.1 -6,-0.1 -1,-0.1 0.214 49.3 121.6-110.5 12.3 33.3 54.3 15.1 17 17 A N - 0 0 57 -3,-0.2 2,-0.3 1,-0.0 107,-0.1 -0.500 58.1-132.0 -74.2 146.7 30.3 52.9 17.0 18 18 A M - 0 0 69 -2,-0.1 102,-0.2 105,-0.1 4,-0.1 -0.762 26.7 -96.6-100.9 149.0 27.2 55.0 16.5 19 19 A V - 0 0 33 100,-1.9 3,-0.3 -2,-0.3 -1,-0.1 -0.313 26.1-132.8 -61.1 142.9 24.9 56.1 19.3 20 20 A A S S+ 0 0 108 1,-0.3 2,-1.5 2,-0.1 -1,-0.1 0.910 102.8 54.2 -64.1 -44.6 21.9 53.9 19.9 21 21 A D S S- 0 0 124 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.553 88.1-170.5 -92.0 70.6 19.4 56.7 20.1 22 22 A S - 0 0 45 -2,-1.5 98,-0.1 -3,-0.3 -2,-0.1 -0.282 27.3-165.9 -66.8 145.2 20.4 58.2 16.7 23 23 A K + 0 0 147 93,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.014 60.6 105.7-115.2 21.6 19.1 61.5 15.5 24 24 A T - 0 0 17 96,-0.1 2,-0.6 97,-0.0 -2,-0.1 -0.914 64.9-142.2-111.4 125.6 20.2 60.8 11.9 25 25 A S - 0 0 113 -2,-0.5 2,-0.5 7,-0.0 10,-0.1 -0.751 25.3-154.5 -83.0 120.1 17.8 59.9 9.1 26 26 A V + 0 0 69 -2,-0.6 2,-0.1 9,-0.0 3,-0.1 -0.872 27.5 146.9-105.1 127.1 19.6 57.3 7.1 27 27 A G - 0 0 17 -2,-0.5 2,-0.0 1,-0.4 -1,-0.0 -0.293 56.6 -29.3-127.6-147.0 18.9 56.7 3.4 28 28 A S > - 0 0 37 -2,-0.1 4,-2.8 1,-0.1 -1,-0.4 -0.336 64.9-108.2 -69.6 159.2 20.9 55.7 0.4 29 29 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.871 122.9 55.9 -56.9 -35.3 24.6 56.6 0.4 30 30 A L H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 110.1 43.7 -61.5 -47.7 23.7 59.2 -2.2 31 31 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.875 113.4 52.2 -65.0 -37.4 21.1 60.8 0.0 32 32 A N H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.883 106.5 52.5 -67.5 -38.8 23.5 60.6 3.0 33 33 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.928 112.4 46.1 -62.1 -43.0 26.2 62.3 1.1 34 34 A K H X S+ 0 0 62 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.875 111.7 51.7 -66.1 -37.3 23.7 65.1 0.3 35 35 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 109.9 49.2 -65.8 -41.2 22.6 65.2 3.9 36 36 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.932 110.5 50.5 -63.8 -45.2 26.2 65.5 5.1 37 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 110.7 49.2 -58.7 -44.4 26.8 68.3 2.6 38 38 A A H X S+ 0 0 43 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.917 113.3 47.2 -61.6 -43.2 23.7 70.1 3.9 39 39 A G H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.909 113.5 47.0 -65.1 -42.6 24.8 69.7 7.5 40 40 A E H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.813 108.1 56.0 -69.5 -30.3 28.3 70.8 6.7 41 41 A T H X S+ 0 0 20 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.904 110.4 46.0 -67.1 -38.9 27.0 73.8 4.8 42 42 A G H X S+ 0 0 25 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.924 112.6 50.4 -67.1 -43.2 25.0 74.7 7.9 43 43 A A H X S+ 0 0 8 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.905 109.3 51.0 -61.3 -42.7 28.1 74.1 10.0 44 44 A H H X S+ 0 0 58 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.916 112.3 45.7 -62.5 -42.7 30.2 76.3 7.8 45 45 A A H X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 113.6 51.7 -66.4 -38.2 27.7 79.2 8.0 46 46 A K H X S+ 0 0 42 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.963 112.5 42.7 -62.0 -54.8 27.5 78.6 11.8 47 47 A Y H X S+ 0 0 1 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.840 112.3 54.0 -63.6 -34.6 31.3 78.8 12.4 48 48 A T H X S+ 0 0 70 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.930 111.9 45.4 -65.3 -42.2 31.6 81.7 10.0 49 49 A A H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.882 112.3 51.3 -66.8 -38.2 29.0 83.5 12.0 50 50 A F H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.856 108.2 52.2 -67.5 -34.6 30.7 82.5 15.3 51 51 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 109.4 49.2 -66.5 -44.0 34.0 83.8 14.0 52 52 A K H X S+ 0 0 130 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.939 114.2 45.6 -60.1 -47.5 32.4 87.2 13.2 53 53 A A H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.915 109.0 56.2 -62.4 -43.6 30.8 87.3 16.7 54 54 A A H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 4,-0.4 0.900 107.7 48.1 -56.8 -43.1 34.1 86.2 18.3 55 55 A R H ><5S+ 0 0 118 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.914 112.6 48.1 -64.8 -40.9 36.0 89.1 16.8 56 56 A E H 3<5S+ 0 0 130 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 111.4 52.0 -68.3 -28.2 33.2 91.5 17.8 57 57 A Q T 3<5S- 0 0 70 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.489 121.8-108.4 -86.5 -4.2 33.4 90.0 21.3 58 58 A G T < 5S+ 0 0 63 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.724 80.7 124.2 86.4 22.1 37.2 90.5 21.5 59 59 A Y >< + 0 0 42 -5,-3.1 4,-2.1 1,-0.2 5,-0.2 -0.719 25.7 167.1-113.9 79.5 38.3 86.9 21.1 60 60 A E H > S+ 0 0 96 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.901 75.3 48.0 -60.5 -44.5 40.7 87.1 18.1 61 61 A Q H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 112.3 48.0 -65.4 -43.7 42.2 83.6 18.6 62 62 A I H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 108.1 56.7 -64.1 -35.1 38.9 81.9 19.1 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.930 106.4 50.5 -59.6 -42.6 37.7 83.7 16.0 64 64 A R H X S+ 0 0 19 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.852 108.0 52.0 -64.3 -34.5 40.6 82.1 14.1 65 65 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.921 109.8 49.1 -67.6 -42.4 39.7 78.7 15.4 66 66 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 112.3 48.6 -61.7 -40.4 36.1 79.2 14.2 67 67 A E H X S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.903 111.7 49.2 -66.0 -41.0 37.5 80.3 10.8 68 68 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.909 113.1 46.5 -64.9 -42.0 39.8 77.3 10.7 69 69 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.873 109.3 54.3 -69.9 -35.6 37.0 74.9 11.5 70 70 A A H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.930 109.1 49.2 -61.7 -42.4 34.7 76.5 9.0 71 71 A A H X S+ 0 0 16 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.871 107.7 55.5 -63.6 -36.0 37.4 75.9 6.4 72 72 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.911 106.2 49.4 -63.1 -42.7 37.6 72.3 7.6 73 73 A E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.849 107.3 55.9 -66.0 -31.7 33.9 71.8 7.0 74 74 A L H X S+ 0 0 88 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.858 105.3 51.6 -67.3 -35.3 34.4 73.3 3.5 75 75 A I H X S+ 0 0 38 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.921 109.7 50.2 -65.7 -43.5 37.1 70.6 2.9 76 76 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.927 109.1 50.9 -59.4 -46.1 34.5 68.0 4.0 77 77 A I H X S+ 0 0 8 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.912 108.9 52.5 -58.1 -43.4 31.9 69.5 1.6 78 78 A G H X S+ 0 0 36 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.912 110.4 46.6 -60.0 -43.9 34.5 69.3 -1.2 79 79 A L H X S+ 0 0 51 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.914 118.6 41.2 -64.7 -43.8 35.2 65.6 -0.6 80 80 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.896 112.5 53.7 -72.6 -41.3 31.5 64.8 -0.3 81 81 A Y H X S+ 0 0 86 -4,-3.6 4,-3.4 -5,-0.2 5,-0.3 0.903 103.9 57.3 -59.9 -42.2 30.5 67.0 -3.2 82 82 A A H X S+ 0 0 58 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.898 110.4 43.5 -56.1 -42.7 33.0 65.3 -5.5 83 83 A L H X S+ 0 0 9 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.905 114.7 49.0 -70.8 -42.2 31.4 61.9 -4.8 84 84 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 107.9 53.8 -62.8 -45.6 27.9 63.2 -5.2 85 85 A A H < S+ 0 0 27 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 110.7 48.3 -58.1 -32.9 28.7 65.0 -8.5 86 86 A E H < S+ 0 0 120 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.859 116.2 41.9 -74.9 -36.9 30.0 61.6 -9.7 87 87 A M H < S+ 0 0 72 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.640 135.0 18.2 -83.7 -17.5 26.9 59.8 -8.5 88 88 A E S >< S- 0 0 66 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.3 -0.603 78.7-151.5-156.3 86.6 24.7 62.6 -9.8 89 89 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.304 84.7 32.3 -59.8 143.5 26.1 65.0 -12.4 90 90 A G T 3 S+ 0 0 80 1,-0.3 -5,-0.1 -5,-0.1 0, 0.0 0.272 80.9 153.0 93.3 -12.3 24.5 68.4 -12.2 91 91 A Y < - 0 0 22 -3,-1.8 2,-0.5 -7,-0.1 -1,-0.3 -0.229 33.1-148.4 -52.4 136.7 23.9 68.2 -8.4 92 92 A E - 0 0 168 -3,-0.1 -1,-0.1 -7,-0.0 0, 0.0 -0.948 13.2-122.0-115.3 128.0 23.9 71.7 -6.9 93 93 A K - 0 0 94 -2,-0.5 -59,-0.0 1,-0.1 -55,-0.0 -0.362 33.8-116.0 -64.9 143.1 25.1 72.3 -3.3 94 94 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 19.4-138.3 -76.1 169.6 22.5 73.8 -1.0 95 95 A T 0 0 136 -53,-0.0 -53,-0.1 -2,-0.0 -54,-0.0 -0.957 360.0 360.0-127.9 146.5 22.6 77.2 0.7 96 96 A V 0 0 114 -2,-0.3 -58,-0.0 -55,-0.2 0, 0.0 -0.910 360.0 360.0-114.3 360.0 21.6 78.0 4.3 97 ! 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 98 99 A P 0 0 101 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 153.9 22.5 81.1 11.8 99 100 A S - 0 0 86 1,-0.0 2,-0.4 -49,-0.0 -49,-0.1 -0.493 360.0-154.2 -73.4 137.6 22.0 82.9 15.1 100 101 A A + 0 0 45 -2,-0.2 2,-0.2 -51,-0.1 3,-0.1 -0.873 14.6 177.4-113.1 147.8 25.2 83.7 17.1 101 102 A Y - 0 0 132 -2,-0.4 5,-0.1 1,-0.3 -48,-0.0 -0.405 48.5 -32.0-126.2-157.7 25.4 84.1 20.9 102 103 A S > - 0 0 50 -2,-0.2 4,-2.3 1,-0.1 -1,-0.3 -0.281 64.2-110.8 -62.4 151.1 28.1 84.7 23.4 103 104 A C H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 116.6 50.8 -50.6 -48.0 31.5 83.3 22.4 104 105 A D H > S+ 0 0 2 112,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.918 111.7 47.9 -60.5 -41.5 31.5 80.6 25.2 105 106 A L H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.856 109.2 53.7 -67.6 -33.9 28.0 79.4 24.2 106 107 A N H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.870 106.4 52.6 -68.1 -35.9 29.1 79.3 20.5 107 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.905 111.9 46.0 -64.9 -40.4 32.0 77.1 21.4 108 109 A I H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.904 111.5 51.1 -68.0 -41.9 29.7 74.7 23.2 109 110 A S H X S+ 0 0 44 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.917 112.5 47.7 -61.1 -41.9 27.2 74.8 20.3 110 111 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.955 111.0 50.4 -63.2 -49.0 30.1 74.0 18.0 111 112 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.913 110.3 50.1 -55.8 -45.5 31.3 71.2 20.3 112 113 A N H X S+ 0 0 65 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.899 110.8 48.7 -62.5 -40.0 27.8 69.7 20.5 113 114 A G H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.917 111.6 49.9 -65.7 -41.6 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116 -2,-0.5 2,-0.5 7,-0.0 -2,-0.1 -0.683 24.4-155.5 -79.0 126.0 14.6 73.1 36.2 228 26 B V + 0 0 71 -2,-0.5 2,-0.1 99,-0.0 3,-0.1 -0.918 24.2 154.0-111.9 125.8 15.7 75.8 38.6 229 27 B G - 0 0 21 -2,-0.5 102,-0.0 1,-0.4 2,-0.0 -0.231 56.0 -33.9-120.8-148.7 14.3 76.2 42.1 230 28 B S > - 0 0 41 -2,-0.1 4,-2.8 1,-0.1 -1,-0.4 -0.307 64.9-106.7 -69.2 161.5 15.7 77.7 45.3 231 29 B T H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 123.6 55.3 -59.1 -34.9 19.4 77.4 45.8 232 30 B L H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 110.1 45.2 -62.4 -44.0 18.7 74.7 48.4 233 31 B E H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.900 112.8 51.3 -66.0 -39.9 16.7 72.8 45.9 234 32 B N H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.872 106.1 54.1 -66.0 -37.9 19.4 73.2 43.3 235 33 B L H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.931 112.1 44.8 -60.8 -44.9 22.1 72.0 45.6 236 34 B K H X S+ 0 0 60 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.890 112.5 51.5 -65.7 -39.7 20.1 68.9 46.2 237 35 B A H X S+ 0 0 47 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.898 110.0 49.6 -64.2 -39.7 19.4 68.6 42.4 238 36 B A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.924 109.6 51.1 -64.6 -44.2 23.1 68.9 41.7 239 37 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 110.2 49.9 -59.5 -42.0 23.9 66.2 44.3 240 38 B A H X S+ 0 0 52 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.926 112.5 46.8 -62.5 -44.7 21.3 63.9 42.7 241 39 B G H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 113.4 48.1 -63.6 -42.9 22.8 64.5 39.2 242 40 B E H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.817 107.4 55.9 -68.4 -30.9 26.4 64.0 40.5 243 41 B T H X S+ 0 0 19 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.898 110.4 46.1 -67.8 -38.4 25.4 60.8 42.3 244 42 B G H X S+ 0 0 30 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 111.7 51.4 -68.1 -41.5 24.1 59.5 39.0 245 43 B A H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.901 108.3 52.0 -62.2 -41.1 27.3 60.7 37.2 246 44 B H H X S+ 0 0 59 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.920 110.9 46.8 -62.6 -43.3 29.4 58.9 39.8 247 45 B A H X S+ 0 0 16 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.903 113.6 50.1 -64.7 -39.7 27.5 55.6 39.2 248 46 B K H X S+ 0 0 45 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.951 112.6 44.1 -63.9 -50.8 27.7 56.1 35.5 249 47 B Y H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.821 111.6 54.5 -65.5 -31.4 31.5 56.7 35.4 250 48 B T H X S+ 0 0 66 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.924 111.9 44.0 -67.8 -43.0 32.1 53.9 37.9 251 49 B A H X S+ 0 0 17 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.914 113.4 51.6 -66.4 -41.6 30.2 51.5 35.5 252 50 B F H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.869 108.3 52.2 -62.1 -37.9 32.1 53.0 32.5 253 51 B A H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.923 109.4 48.1 -65.1 -45.2 35.4 52.4 34.3 254 52 B K H X S+ 0 0 133 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.926 113.9 46.8 -62.0 -44.9 34.7 48.8 35.0 255 53 B A H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.903 108.6 56.3 -63.7 -41.2 33.6 48.2 31.4 256 54 B A H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 4,-0.3 0.921 107.5 47.9 -57.2 -46.5 36.6 50.1 30.1 257 55 B R H ><5S+ 0 0 107 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.914 111.5 49.8 -61.3 -43.4 39.0 47.7 32.0 258 56 B E H 3<5S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.7 52.6 -64.0 -32.9 37.1 44.7 30.7 259 57 B Q T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.449 123.0-105.0 -83.4 -0.8 37.4 46.1 27.2 260 58 B G T < 5S+ 0 0 64 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.2 0.632 83.0 125.9 88.6 14.4 41.1 46.5 27.5 261 59 B Y >< + 0 0 39 -5,-3.0 4,-2.2 -6,-0.2 5,-0.2 -0.660 24.3 163.8-106.5 75.5 41.2 50.3 27.9 262 60 B E H > S+ 0 0 93 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.903 74.0 46.5 -58.4 -47.5 43.2 50.5 31.1 263 61 B Q H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 112.4 49.0 -65.5 -44.1 44.0 54.2 30.8 264 62 B I H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 107.9 55.9 -62.9 -36.9 40.5 55.2 29.9 265 63 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.924 106.5 50.9 -59.5 -42.8 39.2 53.2 32.9 266 64 B R H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.857 108.1 52.0 -63.5 -34.4 41.5 55.3 35.1 267 65 B L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.929 110.0 48.3 -67.7 -43.5 40.1 58.5 33.6 268 66 B F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.883 112.9 48.7 -62.6 -37.6 36.6 57.3 34.4 269 67 B E H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 111.8 48.3 -69.9 -40.0 37.7 56.4 37.9 270 68 B A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.914 113.9 47.1 -65.7 -41.6 39.4 59.8 38.4 271 69 B T H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.891 108.8 53.6 -69.2 -37.2 36.3 61.6 37.1 272 70 B A H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.939 109.7 49.5 -60.4 -43.6 34.0 59.6 39.3 273 71 B A H X S+ 0 0 17 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.861 106.9 55.7 -62.6 -35.0 36.1 60.6 42.2 274 72 B A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.912 105.3 51.2 -64.1 -41.4 35.9 64.2 41.0 275 73 B E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.849 105.1 57.0 -65.2 -31.6 32.1 64.0 41.1 276 74 B L H X S+ 0 0 93 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.825 105.0 51.9 -67.8 -30.8 32.3 62.7 44.7 277 75 B I H X S+ 0 0 36 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.907 108.7 50.3 -70.1 -42.3 34.3 65.9 45.6 278 76 B H H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.938 109.9 50.6 -60.8 -45.6 31.5 68.0 44.0 279 77 B I H X S+ 0 0 7 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.928 109.3 51.6 -58.1 -44.0 28.9 66.0 46.0 280 78 B G H X S+ 0 0 34 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.907 111.1 46.9 -60.0 -42.7 31.0 66.7 49.2 281 79 B L H X S+ 0 0 49 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.912 117.9 41.7 -65.2 -43.6 31.1 70.4 48.5 282 80 B E H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.2 0.903 112.9 53.2 -71.0 -42.4 27.4 70.6 47.8 283 81 B Y H X S+ 0 0 70 -4,-3.6 4,-3.1 -5,-0.3 5,-0.2 0.889 102.6 58.9 -60.7 -40.7 26.4 68.3 50.6 284 82 B A H X S+ 0 0 52 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.898 108.5 45.5 -56.7 -41.7 28.3 70.4 53.1 285 83 B L H X S+ 0 0 29 -4,-1.1 4,-1.2 -3,-0.2 -1,-0.2 0.886 113.5 48.5 -69.7 -40.3 26.2 73.4 52.2 286 84 B V H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.3 0.917 107.4 56.4 -65.7 -42.2 22.9 71.5 52.3 287 85 B A H < S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 103.6 53.9 -59.8 -32.6 23.8 70.0 55.7 288 86 B E H < S+ 0 0 135 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.865 117.5 36.3 -70.3 -36.0 24.2 73.4 57.2 289 87 B M H < S+ 0 0 116 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.744 135.2 22.1 -87.4 -26.3 20.8 74.5 56.1 290 88 B E >< - 0 0 69 -4,-2.8 3,-1.9 -5,-0.1 -1,-0.3 -0.705 62.5-176.4-146.9 87.6 19.1 71.1 56.6 291 89 B P T 3 S+ 0 0 109 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.767 84.6 59.4 -54.1 -32.0 20.9 68.7 59.1 292 90 B G T 3 S+ 0 0 60 2,-0.1 -5,-0.1 -5,-0.0 2,-0.0 0.618 77.8 119.8 -76.8 -12.0 18.5 65.9 58.5 293 91 B Y < - 0 0 25 -3,-1.9 2,-0.4 -7,-0.2 -3,-0.1 -0.286 46.9-161.9 -58.5 132.9 19.3 65.8 54.8 294 92 B E - 0 0 139 -2,-0.0 -2,-0.1 -7,-0.0 -1,-0.0 -0.958 22.0-115.6-119.1 134.2 20.7 62.5 53.6 295 93 B K - 0 0 100 -2,-0.4 2,-0.1 1,-0.1 -59,-0.0 -0.412 36.8-119.9 -66.3 142.3 22.6 62.0 50.4 296 94 B P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.334 17.1-145.6 -81.2 164.1 20.8 59.8 47.9 297 95 B T - 0 0 136 -2,-0.1 2,-0.3 -53,-0.0 -53,-0.1 -0.948 14.9-164.0-126.9 148.1 22.0 56.5 46.4 298 96 B V - 0 0 74 -2,-0.3 2,-0.1 -55,-0.2 -58,-0.0 -0.868 22.7-104.1-130.6 165.0 21.3 55.3 42.9 299 97 B A - 0 0 87 -2,-0.3 -52,-0.1 1,-0.1 -1,-0.0 -0.449 44.9 -98.4 -82.7 161.8 21.5 52.1 40.9 300 98 B A - 0 0 83 -2,-0.1 2,-0.1 1,-0.0 -52,-0.1 -0.644 36.6-139.7 -83.8 137.0 24.2 51.5 38.4 301 99 B P - 0 0 59 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.370 31.4 -82.7 -87.8 172.0 23.4 52.1 34.7 302 100 B S - 0 0 79 -2,-0.1 2,-0.4 1,-0.0 -50,-0.1 -0.475 35.7-143.8 -75.5 147.7 24.5 50.0 31.8 303 101 B A - 0 0 38 -2,-0.1 3,-0.1 -52,-0.1 2,-0.1 -0.928 21.6-176.5-110.6 134.7 28.0 50.5 30.3 304 102 B Y - 0 0 149 -2,-0.4 5,-0.1 1,-0.3 -1,-0.0 -0.149 47.7 -26.5-110.7-152.8 28.3 50.2 26.5 305 103 B S > - 0 0 46 1,-0.1 4,-2.1 -2,-0.1 -1,-0.3 -0.329 65.5-117.5 -60.9 144.6 31.2 50.3 24.2 306 104 B C H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.858 111.6 53.0 -53.0 -43.6 34.0 52.5 25.5 307 105 B D H > S+ 0 0 2 -293,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.922 111.3 46.4 -62.4 -41.8 33.9 55.0 22.8 308 106 B L H > S+ 0 0 31 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.852 109.7 54.6 -68.7 -32.4 30.2 55.6 23.3 309 107 B N H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.898 106.8 51.4 -67.1 -38.7 30.7 55.8 27.0 310 108 B L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.894 111.4 47.2 -63.6 -39.4 33.3 58.5 26.5 311 109 B I H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.910 110.8 51.7 -67.7 -41.5 30.8 60.4 24.3 312 110 B S H X S+ 0 0 44 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.923 112.2 47.4 -59.8 -43.8 28.0 59.9 26.9 313 111 B G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.947 111.1 50.0 -62.6 -48.6 30.4 61.3 29.5 314 112 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 111.1 49.5 -57.4 -44.7 31.4 64.3 27.3 315 113 B N H X S+ 0 0 66 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.900 111.6 47.8 -63.8 -40.0 27.8 65.1 26.7 316 114 B G H X S+ 0 0 16 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.914 112.6 49.6 -66.8 -41.7 26.8 65.0 30.3 317 115 B E H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.913 110.3 50.0 -62.6 -44.3 29.8 67.1 31.2 318 116 B I H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.916 110.0 51.2 -61.4 -41.9 28.9 69.7 28.6 319 117 B Y H X>S+ 0 0 76 -4,-2.3 5,-1.9 1,-0.2 4,-1.8 0.934 113.2 45.4 -60.4 -45.4 25.4 69.8 29.9 320 118 B E H <>S+ 0 0 15 -4,-2.5 5,-2.3 3,-0.2 -2,-0.2 0.911 117.0 42.7 -65.9 -42.4 26.6 70.4 33.4 321 119 B T H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.795 127.3 28.4 -76.5 -28.5 29.2 73.0 32.5 322 120 B S H <5S+ 0 0 3 -4,-2.4 -101,-2.2 -5,-0.2 -2,-0.2 0.516 135.5 15.9-110.7 -7.7 27.1 75.0 30.1 323 121 B D T X5S+ 0 0 6 -4,-1.8 4,-2.1 -5,-0.3 -3,-0.2 0.598 121.6 36.5-127.6 -72.0 23.6 74.4 31.3 324 122 B M H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.911 111.4 48.9 -60.6 -36.4 25.4 78.0 35.0 327 125 B A H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.926 114.1 44.6 -65.5 -44.6 21.7 78.0 35.7 328 126 B F H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.859 111.9 53.2 -68.0 -36.3 22.3 77.1 39.4 329 127 B I H X S+ 0 0 3 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.943 108.1 50.2 -63.8 -47.4 25.0 79.7 39.6 330 128 B R H X S+ 0 0 88 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 111.3 48.7 -57.1 -44.0 22.7 82.4 38.2 331 129 B K H X S+ 0 0 62 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.919 111.1 49.8 -63.5 -43.5 20.0 81.5 40.8 332 130 B A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.3 0.887 111.2 50.1 -62.4 -39.0 22.5 81.6 43.6 333 131 B Q H ><5S+ 0 0 75 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.935 110.2 48.9 -64.0 -47.1 23.8 85.0 42.5 334 132 B E H 3<5S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 114.6 46.0 -65.4 -25.5 20.3 86.4 42.3 335 133 B E T 3<5S- 0 0 93 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.346 112.1-120.0 -97.5 3.2 19.5 85.1 45.8 336 134 B G T < 5 + 0 0 65 -3,-1.3 2,-1.2 -4,-0.3 -3,-0.2 0.774 60.9 148.7 65.1 27.8 22.8 86.4 47.2 337 135 B N >< + 0 0 40 -5,-2.7 4,-2.1 1,-0.2 3,-0.2 -0.696 15.5 172.4 -95.8 83.5 24.0 82.9 48.2 338 136 B S H > S+ 0 0 92 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.830 74.4 58.7 -60.7 -36.0 27.8 83.4 47.8 339 137 B K H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 109.8 43.6 -60.4 -45.0 28.6 80.1 49.3 340 138 B A H > S+ 0 0 0 2,-0.2 4,-3.2 -3,-0.2 5,-0.3 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