==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUN-12 4FNI . COMPND 2 MOLECULE: HEME-DEGRADING MONOOXYGENASE ISDI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR G.N.UKPABI,M.E.P.MURPHY . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 70.5 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 . 79 35.9 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 . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 12.7 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+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 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 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 4 0 3 1 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 1 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 0 147 0, 0.0 2,-0.4 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 132.2 5.4 -5.1 -2.4 2 0 A H - 0 0 110 1,-0.1 60,-0.3 104,-0.0 103,-0.1 -0.622 360.0-124.7 -78.7 130.7 7.8 -5.9 -5.4 3 1 A M - 0 0 38 101,-0.5 101,-2.7 -2,-0.4 2,-0.3 -0.155 26.6-137.6 -57.0 166.0 7.3 -9.1 -7.3 4 2 A F E -AB 59 103A 2 55,-2.5 55,-3.3 99,-0.2 2,-0.4 -0.971 11.2-157.8-136.4 143.9 10.2 -11.5 -7.6 5 3 A M E -AB 58 102A 3 97,-2.6 97,-2.3 -2,-0.3 2,-0.4 -0.991 2.0-165.0-125.9 134.0 11.7 -13.5 -10.5 6 4 A A E -AB 57 101A 4 51,-2.2 51,-2.4 -2,-0.4 2,-0.4 -0.892 6.5-159.6-108.4 148.1 13.9 -16.6 -10.3 7 5 A E E -AB 56 100A 3 93,-2.7 93,-2.5 -2,-0.4 2,-0.7 -0.995 7.2-165.6-125.4 122.5 15.9 -17.9 -13.3 8 6 A N E -AB 55 99A 47 47,-2.4 47,-2.4 -2,-0.4 2,-0.7 -0.951 16.1-160.9-103.4 112.7 17.2 -21.5 -13.6 9 7 A R E -AB 54 98A 51 89,-2.8 89,-1.3 -2,-0.7 2,-0.5 -0.857 4.8-162.9 -99.7 115.5 19.7 -21.3 -16.4 10 8 A L E -AB 53 97A 10 43,-3.3 43,-1.8 -2,-0.7 2,-0.6 -0.853 11.1-153.0-103.1 125.1 20.4 -24.8 -17.9 11 9 A Q E -AB 52 96A 89 85,-2.0 84,-2.3 -2,-0.5 85,-1.3 -0.877 28.5-173.0 -89.8 125.5 23.4 -25.5 -20.1 12 10 A L E -AB 51 94A 0 39,-2.8 39,-2.3 -2,-0.6 82,-0.2 -0.892 31.5 -95.2-123.8 151.1 22.5 -28.4 -22.3 13 11 A Q E > -A 50 0A 86 80,-2.3 3,-2.0 -2,-0.3 4,-0.2 -0.348 63.6 -85.9 -58.0 139.6 24.2 -30.7 -24.8 14 12 A K T 3 S+ 0 0 109 35,-0.6 -1,-0.1 1,-0.2 36,-0.1 -0.224 114.6 22.1 -51.5 134.9 23.6 -29.3 -28.3 15 13 A G T 3 S+ 0 0 48 -3,-0.1 4,-0.3 1,-0.0 -1,-0.2 0.259 98.1 94.6 93.5 -10.0 20.3 -30.5 -29.8 16 14 A S <> + 0 0 5 -3,-2.0 4,-1.8 1,-0.2 5,-0.2 0.399 50.4 95.9 -99.4 1.6 18.6 -31.3 -26.5 17 15 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 85.3 49.0 -54.6 -50.5 16.7 -28.0 -25.8 18 16 A E H > S+ 0 0 91 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.903 111.7 46.7 -62.6 -45.7 13.4 -29.3 -27.4 19 17 A E H > S+ 0 0 110 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.844 114.2 50.2 -64.1 -32.5 13.3 -32.6 -25.5 20 18 A T H >< S+ 0 0 2 -4,-1.8 3,-0.9 2,-0.2 4,-0.3 0.897 108.0 51.0 -73.1 -43.0 14.1 -30.8 -22.2 21 19 A I H >< S+ 0 0 10 -4,-2.6 3,-2.3 1,-0.2 4,-0.3 0.898 100.9 64.2 -61.9 -38.4 11.4 -28.1 -22.7 22 20 A E H >< S+ 0 0 112 -4,-1.9 3,-1.3 1,-0.3 4,-0.4 0.752 89.2 68.2 -57.0 -27.0 8.8 -30.9 -23.3 23 21 A R T << S+ 0 0 115 -3,-0.9 -1,-0.3 -4,-0.5 3,-0.2 0.699 95.7 56.6 -63.4 -20.7 9.4 -32.1 -19.7 24 22 A F T < S+ 0 0 48 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.510 81.9 88.9 -90.9 -6.6 7.8 -28.9 -18.5 25 23 A Y S < S+ 0 0 100 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.2 0.905 78.7 60.8 -61.2 -48.8 4.5 -29.4 -20.3 26 24 A N S S- 0 0 138 -4,-0.4 2,-0.1 -3,-0.2 0, 0.0 -0.661 87.5-120.9 -90.0 134.8 2.6 -31.3 -17.7 27 25 A R - 0 0 68 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.417 21.5-173.3 -75.3 146.9 2.0 -29.7 -14.3 28 26 A Q S S- 0 0 116 -2,-0.1 49,-0.2 -4,-0.1 -1,-0.1 -0.143 71.4 -63.6-128.7 32.4 3.3 -31.3 -11.0 29 27 A G S > S+ 0 0 11 48,-0.1 3,-2.5 4,-0.0 4,-0.4 0.269 96.6 120.3 111.1 -10.9 1.6 -29.0 -8.5 30 28 A I G > S+ 0 0 11 1,-0.3 3,-1.6 2,-0.2 6,-0.2 0.820 72.8 66.1 -52.8 -32.5 3.1 -25.6 -9.1 31 29 A E G 3 S+ 0 0 72 1,-0.3 -1,-0.3 189,-0.0 -4,-0.0 0.613 99.0 53.0 -65.8 -11.7 -0.4 -24.4 -9.8 32 30 A T G < S+ 0 0 93 -3,-2.5 2,-0.3 2,-0.1 -1,-0.3 0.490 85.3 112.2 -97.4 -7.5 -1.3 -25.0 -6.1 33 31 A I S X S- 0 0 20 -3,-1.6 3,-1.5 -4,-0.4 2,-0.1 -0.547 71.1-118.2 -84.4 127.9 1.6 -23.0 -4.7 34 32 A E T 3 S+ 0 0 150 -2,-0.3 34,-0.1 1,-0.2 3,-0.1 -0.350 96.8 13.4 -61.6 130.0 1.0 -19.8 -2.8 35 33 A G T 3 S+ 0 0 8 1,-0.3 25,-2.3 -2,-0.1 2,-0.3 0.229 88.4 133.0 89.2 -15.3 2.5 -16.7 -4.5 36 34 A F E < +C 59 0A 6 -3,-1.5 -1,-0.3 23,-0.2 23,-0.2 -0.552 19.1 162.0 -72.1 132.5 3.3 -18.4 -7.8 37 35 A Q E - 0 0 60 21,-2.7 184,-2.5 1,-0.4 2,-0.3 0.768 54.1 -8.1-116.3 -51.6 2.1 -16.2 -10.8 38 36 A Q E -CD 58 220A 0 20,-1.2 20,-3.2 182,-0.2 -1,-0.4 -0.995 45.3-155.0-151.7 157.8 3.8 -17.3 -14.1 39 37 A M E -CD 57 219A 11 180,-2.7 180,-2.2 -2,-0.3 2,-0.4 -0.997 6.5-170.2-131.5 137.2 6.5 -19.5 -15.6 40 38 A F E -CD 56 218A 2 16,-2.5 16,-3.1 -2,-0.4 2,-0.5 -0.990 4.4-165.3-121.5 135.8 8.4 -19.2 -18.9 41 39 A V E -CD 55 217A 0 176,-2.7 175,-1.9 -2,-0.4 176,-1.6 -0.989 23.8-178.4-118.3 118.2 10.6 -21.9 -20.4 42 40 A T E -CD 54 215A 1 12,-2.5 12,-1.9 -2,-0.5 2,-0.5 -0.833 29.4-145.7-122.7 154.8 12.8 -20.5 -23.1 43 41 A K E -CD 53 214A 53 171,-2.5 171,-2.5 -2,-0.3 2,-0.2 -0.988 30.3-127.1-113.9 125.6 15.4 -21.5 -25.6 44 42 A T E - D 0 213A 8 8,-2.3 2,-0.7 -2,-0.5 8,-0.3 -0.524 15.7-135.0 -72.0 134.8 18.1 -18.9 -26.2 45 43 A L + 0 0 68 167,-3.0 167,-0.4 -2,-0.2 2,-0.3 -0.841 56.4 108.6 -92.7 111.6 18.6 -18.1 -29.9 46 44 A N S S- 0 0 70 -2,-0.7 165,-0.0 2,-0.1 167,-0.0 -0.909 73.9-103.4-161.4-173.1 22.4 -18.0 -30.6 47 45 A T + 0 0 141 -2,-0.3 -2,-0.1 2,-0.0 2,-0.0 -0.011 66.7 134.8-115.9 28.6 25.2 -19.8 -32.4 48 46 A E - 0 0 114 2,-0.2 -2,-0.1 1,-0.1 4,-0.1 -0.298 64.1-121.4 -74.3 161.8 26.8 -21.4 -29.3 49 47 A D S S+ 0 0 134 -35,-0.1 -35,-0.6 2,-0.1 2,-0.3 0.420 96.1 55.3 -87.8 0.9 27.9 -25.1 -29.2 50 48 A T E S-A 13 0A 29 -37,-0.1 2,-0.2 -36,-0.1 -37,-0.2 -0.901 86.5-118.2-120.6 158.1 25.6 -25.8 -26.3 51 49 A D E -A 12 0A 4 -39,-2.3 -39,-2.8 -2,-0.3 2,-0.4 -0.608 22.6-150.3 -85.8 154.6 21.9 -25.3 -26.0 52 50 A E E +A 11 0A 48 -8,-0.3 -8,-2.3 -2,-0.2 2,-0.4 -0.973 14.9 179.5-131.0 118.9 20.6 -22.9 -23.3 53 51 A V E -AC 10 43A 0 -43,-1.8 -43,-3.3 -2,-0.4 2,-0.4 -0.969 9.4-164.2-117.0 134.1 17.1 -23.4 -21.7 54 52 A K E -AC 9 42A 6 -12,-1.9 -12,-2.5 -2,-0.4 2,-0.6 -0.949 11.5-154.8-120.4 138.3 15.9 -21.1 -19.0 55 53 A I E -AC 8 41A 15 -47,-2.4 -47,-2.4 -2,-0.4 2,-0.5 -0.952 14.6-169.7-111.8 112.1 13.1 -21.4 -16.5 56 54 A L E -AC 7 40A 11 -16,-3.1 -16,-2.5 -2,-0.6 2,-0.4 -0.895 1.5-171.2-102.0 123.7 11.7 -18.1 -15.4 57 55 A T E -AC 6 39A 20 -51,-2.4 -51,-2.2 -2,-0.5 2,-0.5 -0.972 10.0-151.2-116.1 133.4 9.3 -18.1 -12.5 58 56 A I E -AC 5 38A 1 -20,-3.2 -21,-2.7 -2,-0.4 -20,-1.2 -0.906 19.1-175.4-105.8 129.9 7.4 -15.0 -11.4 59 57 A W E -AC 4 36A 0 -55,-3.3 -55,-2.5 -2,-0.5 -23,-0.2 -0.871 38.4-128.8-128.5 148.9 6.4 -14.7 -7.7 60 58 A E S S- 0 0 90 -25,-2.3 2,-0.3 -2,-0.3 -24,-0.1 0.786 97.2 -4.6 -64.7 -25.4 4.4 -12.3 -5.6 61 59 A S > - 0 0 33 -26,-0.2 4,-1.6 -57,-0.1 -1,-0.2 -0.984 66.8-112.1-161.3 157.5 7.5 -12.2 -3.3 62 60 A E H > S+ 0 0 70 -2,-0.3 4,-2.8 -60,-0.3 5,-0.1 0.856 117.5 60.4 -58.4 -36.8 10.9 -13.8 -2.7 63 61 A D H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.902 101.0 51.8 -58.0 -44.0 9.4 -15.4 0.5 64 62 A S H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 110.9 49.0 -63.4 -39.0 6.9 -17.3 -1.6 65 63 A F H X S+ 0 0 11 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.946 110.3 50.5 -57.9 -54.2 9.7 -18.5 -3.8 66 64 A N H X S+ 0 0 57 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.918 110.1 49.8 -51.9 -48.6 11.7 -19.6 -0.7 67 65 A N H < S+ 0 0 90 -4,-2.8 4,-0.4 1,-0.2 3,-0.2 0.872 108.0 54.0 -61.3 -37.1 8.7 -21.5 0.7 68 66 A Y H >< S+ 0 0 29 -4,-1.8 3,-1.6 1,-0.2 6,-0.4 0.925 104.2 55.2 -62.2 -43.6 8.2 -23.3 -2.7 69 67 A L H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 110.9 44.9 -59.0 -31.2 11.8 -24.5 -2.6 70 68 A N T 3< S+ 0 0 141 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.440 95.4 112.8 -88.9 -1.5 11.2 -26.1 0.8 71 69 A S S <> S- 0 0 25 -3,-1.6 4,-1.9 -4,-0.4 5,-0.1 -0.332 72.4-131.1 -82.2 152.6 7.9 -27.6 -0.2 72 70 A D H > S+ 0 0 129 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 110.1 59.5 -59.9 -38.9 7.0 -31.3 -0.7 73 71 A V H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 106.5 45.4 -61.5 -41.2 5.5 -30.3 -4.1 74 72 A F H > S+ 0 0 57 -6,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.936 113.1 50.2 -64.8 -47.2 8.9 -29.0 -5.3 75 73 A K H < S+ 0 0 148 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.933 112.5 47.2 -58.2 -49.2 10.8 -32.0 -3.9 76 74 A E H >< S+ 0 0 107 -4,-2.9 3,-1.2 1,-0.2 4,-0.3 0.892 109.2 53.0 -59.4 -45.6 8.3 -34.4 -5.7 77 75 A A H 3< S+ 0 0 18 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.792 115.6 41.6 -61.1 -28.1 8.5 -32.6 -9.0 78 76 A H T >< S+ 0 0 71 -4,-1.4 3,-1.6 -3,-0.5 -1,-0.2 0.308 79.5 106.7-105.6 8.5 12.3 -32.8 -9.0 79 77 A K T < S+ 0 0 132 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.837 88.8 37.2 -60.6 -34.9 12.8 -36.4 -7.7 80 78 A N T 3 S+ 0 0 104 -4,-0.3 2,-0.6 -3,-0.3 -1,-0.3 0.180 88.4 118.1-102.7 14.8 13.8 -37.7 -11.2 81 79 A V < + 0 0 62 -3,-1.6 2,-0.3 11,-0.0 -3,-0.0 -0.741 39.7 171.3 -84.3 122.1 15.8 -34.6 -12.2 82 80 A R - 0 0 102 -2,-0.6 12,-0.3 7,-0.1 2,-0.3 -0.947 25.9-135.7-132.3 153.0 19.5 -35.5 -12.8 83 81 A L > - 0 0 38 -2,-0.3 3,-1.6 10,-0.1 12,-0.2 -0.740 30.4-113.4-100.1 154.7 22.5 -33.6 -14.2 84 82 A K T 3 S+ 0 0 77 10,-3.4 5,-0.2 -2,-0.3 11,-0.2 0.838 119.0 56.6 -49.1 -37.2 25.1 -35.2 -16.6 85 83 A S T 3 S+ 0 0 89 9,-0.4 -1,-0.3 10,-0.3 10,-0.1 0.616 84.3 100.8 -75.4 -17.5 27.6 -34.9 -13.7 86 84 A D S X S- 0 0 65 -3,-1.6 3,-1.5 1,-0.1 6,-0.1 -0.341 85.2-117.1 -65.6 153.8 25.5 -36.9 -11.3 87 85 A D T 3 S+ 0 0 160 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.826 119.2 35.8 -61.3 -32.7 26.6 -40.6 -10.8 88 86 A D T 3 S+ 0 0 89 1,-0.1 3,-0.4 -5,-0.1 -1,-0.3 0.121 90.7 100.9-106.0 18.3 23.2 -41.7 -12.2 89 87 A G X + 0 0 1 -3,-1.5 3,-1.5 -5,-0.2 -1,-0.1 0.105 36.7 122.6 -92.5 23.9 22.9 -38.8 -14.7 90 88 A Q T 3 S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.2 -6,-0.1 0.832 78.2 44.3 -51.9 -39.6 24.0 -40.9 -17.8 91 89 A Q T 3 S+ 0 0 175 -3,-0.4 -1,-0.3 -8,-0.1 -2,-0.1 0.549 92.5 105.6 -85.8 -6.9 20.8 -40.2 -19.7 92 90 A S < - 0 0 10 -3,-1.5 -9,-0.1 -9,-0.2 -3,-0.0 -0.607 48.6-168.5 -85.1 126.8 20.7 -36.4 -18.8 93 91 A P + 0 0 10 0, 0.0 -80,-2.3 0, 0.0 2,-0.9 0.440 61.0 109.8 -84.3 1.6 21.6 -33.8 -21.4 94 92 A I E +B 12 0A 8 -12,-0.3 -10,-3.4 -82,-0.2 -9,-0.4 -0.683 41.4 175.9 -86.1 104.9 21.7 -31.2 -18.5 95 93 A L E - 0 0 55 -84,-2.3 2,-0.3 -2,-0.9 -10,-0.3 0.849 62.5 -19.4 -78.4 -37.5 25.3 -30.2 -18.1 96 94 A S E -B 11 0A 33 -85,-1.3 -85,-2.0 -12,-0.1 2,-0.3 -0.982 51.7-148.3-163.1 160.1 24.8 -27.6 -15.4 97 95 A N E -B 10 0A 61 -2,-0.3 2,-0.4 -87,-0.2 -87,-0.2 -0.986 9.6-172.9-135.3 149.8 22.3 -25.3 -13.8 98 96 A K E -B 9 0A 133 -89,-1.3 -89,-2.8 -2,-0.3 2,-0.4 -0.987 16.0-140.5-143.4 132.2 22.7 -21.8 -12.2 99 97 A V E -B 8 0A 78 -2,-0.4 2,-0.3 -91,-0.2 -91,-0.2 -0.789 16.5-174.0-100.0 131.0 20.1 -19.9 -10.3 100 98 A F E -B 7 0A 66 -93,-2.5 -93,-2.7 -2,-0.4 2,-0.4 -0.928 9.0-152.8-121.1 148.9 19.7 -16.1 -10.7 101 99 A K E -B 6 0A 65 -2,-0.3 55,-2.8 55,-0.3 2,-0.3 -0.946 12.5-176.3-128.6 144.8 17.4 -13.9 -8.6 102 100 A Y E -BE 5 155A 0 -97,-2.3 -97,-2.6 -2,-0.4 2,-0.4 -0.995 27.2-131.8-144.2 142.8 15.7 -10.6 -9.4 103 101 A D E -BE 4 154A 53 51,-2.4 51,-2.7 -2,-0.3 2,-1.0 -0.786 29.0-135.5 -79.8 132.7 13.5 -7.9 -8.0 104 102 A I E + E 0 153A 5 -101,-2.7 -101,-0.5 -2,-0.4 49,-0.2 -0.840 26.6 178.4 -91.2 104.3 10.8 -7.1 -10.5 105 103 A G E + 0 0 11 47,-1.8 2,-0.3 -2,-1.0 48,-0.2 0.732 66.4 9.2 -76.3 -23.5 10.8 -3.3 -10.4 106 104 A Y E - 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0 0 38 -26,-0.2 4,-1.4 -57,-0.1 3,-0.3 -0.988 67.4-108.8-157.7 161.1 6.1 -13.7 -32.5 173 60 B E H > S+ 0 0 78 -2,-0.3 4,-2.7 -60,-0.2 5,-0.2 0.839 118.8 62.0 -58.7 -33.1 9.6 -12.6 -33.4 174 61 B D H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 99.9 52.7 -58.6 -43.6 8.0 -10.7 -36.3 175 62 B S H > S+ 0 0 9 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.884 111.0 46.4 -59.3 -44.3 6.1 -8.5 -33.8 176 63 B F H X S+ 0 0 10 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.938 109.6 53.9 -64.3 -48.1 9.2 -7.6 -32.0 177 64 B N H X S+ 0 0 63 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.901 108.9 50.4 -50.8 -44.6 11.0 -6.9 -35.3 178 65 B N H < S+ 0 0 84 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.866 106.6 54.3 -62.0 -40.6 8.2 -4.5 -36.1 179 66 B Y H >< S+ 0 0 26 -4,-1.8 3,-1.6 1,-0.2 6,-0.4 0.910 103.5 55.3 -58.1 -44.5 8.5 -2.8 -32.7 180 67 B L H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 111.4 45.6 -61.9 -26.9 12.2 -2.1 -33.4 181 68 B N T 3< S+ 0 0 132 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.462 95.9 111.4 -88.5 -5.5 11.2 -0.4 -36.6 182 69 B S S <> S- 0 0 21 -3,-1.6 4,-1.6 -4,-0.4 5,-0.1 -0.213 73.8-126.4 -79.6 160.5 8.4 1.6 -35.1 183 70 B D H > S+ 0 0 121 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.870 110.5 56.8 -64.5 -39.9 8.0 5.3 -34.4 184 71 B V H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 104.9 51.8 -63.6 -37.9 7.2 4.6 -30.7 185 72 B F H > S+ 0 0 59 -6,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.953 112.6 45.9 -58.4 -52.0 10.6 2.8 -30.3 186 73 B K H X S+ 0 0 135 -4,-1.6 4,-0.7 1,-0.2 3,-0.4 0.939 113.7 48.2 -54.9 -51.7 12.4 5.8 -31.8 187 74 B E H >< S+ 0 0 114 -4,-2.9 3,-0.7 1,-0.2 4,-0.3 0.875 110.3 51.5 -60.6 -40.7 10.5 8.3 -29.7 188 75 B A H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.809 117.0 39.2 -66.0 -31.1 11.1 6.4 -26.4 189 76 B H H >< S+ 0 0 71 -4,-1.5 3,-1.3 -3,-0.4 -1,-0.2 0.387 83.1 102.9-102.1 0.9 14.8 6.2 -27.0 190 77 B K T << S+ 0 0 119 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.1 0.809 90.4 35.7 -60.8 -33.5 15.6 9.6 -28.5 191 78 B N T 3 S+ 0 0 87 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.379 89.2 120.5-100.9 3.7 17.1 11.1 -25.3 192 79 B V < - 0 0 61 -3,-1.3 2,-0.4 11,-0.0 -3,-0.0 -0.527 40.8-176.0 -73.6 129.5 18.8 7.9 -24.1 193 80 B R - 0 0 91 -2,-0.3 12,-0.4 7,-0.1 2,-0.2 -0.978 21.7-140.4-129.8 140.2 22.6 8.2 -23.8 194 81 B L > - 0 0 44 -2,-0.4 3,-1.4 1,-0.1 12,-0.2 -0.628 35.4-111.3 -85.7 156.0 25.3 5.7 -22.9 195 82 B K T 3 S+ 0 0 39 10,-3.0 5,-0.2 1,-0.3 11,-0.1 0.878 119.4 57.3 -54.8 -37.0 28.1 7.0 -20.6 196 83 B S T 3 S+ 0 0 96 9,-0.3 -1,-0.3 10,-0.3 5,-0.1 0.655 82.4 106.4 -70.2 -19.1 30.5 6.8 -23.7 197 84 B D S X S- 0 0 62 -3,-1.4 3,-2.9 3,-0.1 4,-0.3 -0.321 87.4-110.1 -62.4 147.1 28.3 9.1 -25.8 198 85 B D T 3 S+ 0 0 180 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.794 120.3 30.4 -50.6 -35.1 29.7 12.6 -26.4 199 86 B D T 3 S+ 0 0 112 1,-0.1 -1,-0.3 -5,-0.1 3,-0.3 0.129 104.0 87.0-107.4 17.6 27.0 14.1 -24.2 200 87 B G X + 0 0 1 -3,-2.9 3,-2.7 -5,-0.2 -2,-0.1 0.335 40.5 115.5-105.9 7.4 26.6 11.1 -21.9 201 88 B Q T 3 S+ 0 0 127 1,-0.3 -1,-0.2 -4,-0.3 -6,-0.1 0.796 81.8 49.9 -51.7 -36.1 29.1 11.4 -19.2 202 89 B Q T 3 S+ 0 0 178 -3,-0.3 -1,-0.3 -8,-0.1 -7,-0.1 0.554 87.8 105.4 -80.1 -9.0 26.4 11.7 -16.5 203 90 B S < - 0 0 16 -3,-2.7 -3,-0.0 -9,-0.2 -9,-0.0 -0.550 59.5-155.0 -70.9 133.9 24.6 8.6 -17.7 204 91 B P + 0 0 12 0, 0.0 -80,-2.2 0, 0.0 2,-0.7 0.476 65.4 107.8 -84.3 -1.6 25.0 5.5 -15.5 205 92 B I E + G 0 123A 9 -12,-0.4 -10,-3.0 -82,-0.2 -9,-0.3 -0.674 41.3 174.3 -81.8 111.6 24.3 3.3 -18.5 206 93 B L E - 0 0 58 -84,-2.7 2,-0.3 -2,-0.7 -10,-0.3 0.876 59.8 -29.9 -86.8 -40.5 27.6 1.7 -19.5 207 94 B S E - G 0 122A 45 -85,-1.2 -85,-2.4 -12,-0.1 2,-0.3 -0.977 50.2-138.1-164.7 164.6 26.4 -0.7 -22.2 208 95 B N E - G 0 121A 77 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.950 10.0-167.8-128.6 158.9 23.5 -2.8 -23.4 209 96 B K E - G 0 120A 126 -89,-1.2 -89,-2.9 -2,-0.3 2,-0.4 -0.977 14.6-141.0-144.4 130.8 23.3 -6.3 -24.9 210 97 B V E - G 0 119A 71 -2,-0.3 2,-0.3 -91,-0.2 -91,-0.2 -0.780 16.2-173.2 -96.2 133.3 20.2 -7.8 -26.6 211 98 B F E - G 0 118A 39 -93,-2.4 -93,-2.9 -2,-0.4 2,-0.4 -0.929 8.0-153.9-120.5 150.7 19.3 -11.5 -26.1 212 99 B K E - G 0 117A 73 -167,-0.4 -167,-3.0 -2,-0.3 2,-0.4 -0.975 11.8-174.4-130.3 140.0 16.5 -13.3 -28.0 213 100 B Y E -DG 44 116A 3 -97,-2.5 -97,-2.7 -2,-0.4 2,-0.5 -0.996 25.0-137.7-140.7 135.7 14.5 -16.4 -26.9 214 101 B D E -DG 43 115A 49 -171,-2.5 -171,-2.5 -2,-0.4 2,-0.9 -0.796 29.3-133.7 -80.4 128.9 11.9 -18.8 -28.3 215 102 B I E +D 42 0A 6 -101,-2.6 -101,-0.5 -2,-0.5 -173,-0.2 -0.802 27.5 178.1 -86.2 105.8 9.3 -19.3 -25.6 216 103 B G E + 0 0 10 -175,-1.9 2,-0.3 -2,-0.9 -174,-0.2 0.744 68.1 8.1 -80.0 -28.3 8.8 -23.1 -25.6 217 104 B Y E -D 41 0A 46 -176,-1.6 -176,-2.7 -3,-0.1 2,-0.4 -0.972 61.9-176.1-152.8 140.3 6.3 -23.2 -22.8 218 105 B H E -D 40 0A 49 -2,-0.3 2,-0.4 -178,-0.2 -178,-0.2 -0.988 1.2-179.4-139.4 134.2 4.3 -20.6 -20.8 219 106 B Y E -D 39 0A 51 -180,-2.2 -180,-2.7 -2,-0.4 2,-0.5 -0.996 2.1-175.6-130.2 128.6 2.0 -21.0 -17.9 220 107 B Q E D 38 0A 76 -2,-0.4 -182,-0.2 -182,-0.2 -183,-0.1 -0.984 360.0 360.0-123.0 120.4 0.1 -18.1 -16.1 221 108 B K 0 0 150 -184,-2.5 -190,-0.0 -2,-0.5 -2,-0.0 -0.314 360.0 360.0 -61.8 360.0 -2.0 -18.9 -13.0