==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JAN-10 3LGM . COMPND 2 MOLECULE: HEME-DEGRADING MONOOXYGENASE ISDI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS 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) . 12581.0 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 . 80 36.4 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 . 1 0.5 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 . 15 6.8 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 . 30 13.6 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 0 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 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 3 1 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 0 149 0, 0.0 2,-0.1 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 145.2 4.3 -4.7 -3.1 2 0 A H - 0 0 100 1,-0.1 103,-0.1 104,-0.0 2,-0.1 -0.426 360.0-111.3 -74.3 150.9 6.3 -5.7 -6.3 3 1 A M - 0 0 42 101,-0.5 101,-2.6 -2,-0.1 2,-0.4 -0.335 32.4-138.5 -68.8 161.6 6.0 -9.0 -8.0 4 2 A F E -AB 59 103A 6 55,-2.5 55,-2.9 99,-0.2 2,-0.4 -0.951 10.8-156.4-125.0 147.0 9.1 -11.2 -7.8 5 3 A M E -AB 58 102A 3 97,-2.4 97,-2.7 -2,-0.4 2,-0.4 -0.994 4.6-168.6-127.4 130.9 10.7 -13.4 -10.5 6 4 A A E -AB 57 101A 2 51,-1.9 51,-3.1 -2,-0.4 2,-0.4 -0.943 10.6-160.3-107.1 137.3 13.0 -16.4 -10.1 7 5 A E E -AB 56 100A 6 93,-3.1 93,-2.5 -2,-0.4 2,-0.6 -0.975 9.4-163.5-117.2 130.6 14.8 -17.8 -13.2 8 6 A N E -AB 55 99A 38 47,-2.3 47,-2.5 -2,-0.4 2,-0.6 -0.969 15.6-160.5-108.8 111.6 16.3 -21.3 -13.5 9 7 A R E -AB 54 98A 72 89,-2.6 89,-1.4 -2,-0.6 2,-0.5 -0.854 3.3-160.8 -96.6 119.9 18.7 -21.3 -16.4 10 8 A L E -AB 53 97A 12 43,-3.4 43,-2.0 -2,-0.6 2,-0.5 -0.861 9.2-152.8-102.2 127.7 19.5 -24.7 -17.9 11 9 A Q E -AB 52 96A 40 85,-2.4 84,-2.3 -2,-0.5 85,-1.2 -0.876 29.1-175.4 -90.2 129.5 22.6 -25.3 -20.1 12 10 A L E -AB 51 94A 0 39,-2.8 39,-2.0 -2,-0.5 82,-0.2 -0.893 31.0 -92.8-128.4 153.0 21.8 -28.2 -22.4 13 11 A Q E > -A 50 0A 83 80,-2.2 3,-1.9 -2,-0.3 4,-0.2 -0.386 64.9 -80.6 -57.0 140.8 23.5 -30.4 -25.0 14 12 A K T 3 S+ 0 0 114 35,-0.5 -1,-0.1 1,-0.2 36,-0.1 -0.111 115.4 15.7 -45.0 129.9 23.0 -29.0 -28.5 15 13 A G T 3 S+ 0 0 47 -3,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.407 97.2 98.4 87.2 -2.8 19.5 -30.0 -29.9 16 14 A S <> + 0 0 5 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 0.425 49.6 96.9 -99.8 2.0 17.8 -31.0 -26.7 17 15 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 84.1 48.2 -58.0 -48.2 15.9 -27.8 -26.0 18 16 A E H > S+ 0 0 95 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.910 112.1 47.0 -61.0 -49.7 12.6 -28.9 -27.5 19 17 A E H > S+ 0 0 116 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.859 113.3 50.8 -61.4 -36.0 12.5 -32.3 -25.7 20 18 A T H >< S+ 0 0 2 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.914 107.0 52.6 -69.3 -42.7 13.4 -30.6 -22.4 21 19 A I H >< S+ 0 0 11 -4,-2.2 3,-2.0 1,-0.2 4,-0.2 0.854 99.6 63.6 -62.7 -33.8 10.6 -28.0 -22.8 22 20 A E H >< S+ 0 0 111 -4,-1.6 3,-1.5 1,-0.3 4,-0.3 0.801 89.5 69.6 -62.1 -26.6 8.0 -30.7 -23.3 23 21 A R T << S+ 0 0 113 -3,-0.9 -1,-0.3 -4,-0.7 3,-0.2 0.584 92.9 58.5 -66.7 -13.0 8.7 -31.9 -19.8 24 22 A F T < S+ 0 0 40 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.490 77.6 91.7 -93.0 -6.0 7.1 -28.7 -18.4 25 23 A Y S < S+ 0 0 106 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.1 0.822 79.4 62.4 -57.3 -35.3 3.6 -29.3 -20.0 26 24 A N S S- 0 0 126 -4,-0.3 2,-0.1 -3,-0.2 -1,-0.0 -0.816 85.6-125.9-102.8 131.2 2.2 -31.1 -17.1 27 25 A R - 0 0 58 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.421 19.4-172.7 -74.0 146.7 1.8 -29.5 -13.7 28 26 A Q - 0 0 96 -2,-0.1 49,-0.3 -4,-0.1 -1,-0.1 -0.101 68.2 -60.0-134.5 34.6 3.4 -31.1 -10.6 29 27 A G S > S+ 0 0 11 47,-0.1 3,-2.1 48,-0.1 4,-0.2 0.107 101.9 108.7 117.9 -20.8 2.1 -29.0 -7.7 30 28 A I G > S+ 0 0 12 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.830 75.3 64.6 -61.5 -30.6 3.3 -25.4 -8.3 31 29 A E G 3 S+ 0 0 60 1,-0.3 -1,-0.3 189,-0.0 5,-0.0 0.651 96.0 61.0 -66.3 -12.1 -0.2 -24.2 -9.1 32 30 A T G < S+ 0 0 91 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.469 80.5 102.5 -92.0 -4.7 -1.1 -25.1 -5.5 33 31 A I S X S- 0 0 24 -3,-1.7 3,-1.8 -4,-0.2 2,-0.1 -0.695 77.4-121.7 -87.0 127.4 1.3 -22.7 -3.9 34 32 A E T 3 S+ 0 0 161 -2,-0.5 34,-0.1 1,-0.2 3,-0.1 -0.409 99.0 26.9 -66.4 133.5 -0.2 -19.5 -2.6 35 33 A G T 3 S+ 0 0 13 1,-0.3 25,-2.6 -2,-0.1 2,-0.3 0.178 85.6 128.8 98.2 -20.2 1.4 -16.5 -4.4 36 34 A F E < +C 59 0A 5 -3,-1.8 -1,-0.3 23,-0.2 23,-0.2 -0.521 25.5 167.3 -66.7 134.0 2.4 -18.4 -7.5 37 35 A Q E - 0 0 65 21,-2.5 184,-3.0 1,-0.3 2,-0.3 0.810 48.3 -31.1-117.0 -52.5 1.2 -16.5 -10.6 38 36 A Q E -CD 58 220A 9 20,-1.4 20,-2.7 182,-0.2 -1,-0.3 -0.992 43.0-140.8-165.1 166.2 2.6 -17.7 -13.9 39 37 A M E -CD 57 219A 6 180,-2.7 180,-2.4 -2,-0.3 2,-0.4 -0.991 4.1-164.5-138.3 144.2 5.6 -19.4 -15.7 40 38 A F E -CD 56 218A 4 16,-2.1 16,-3.1 -2,-0.3 2,-0.5 -0.983 5.6-161.2-119.1 139.3 7.4 -19.0 -19.0 41 39 A V E -CD 55 217A 0 176,-2.8 175,-1.9 -2,-0.4 176,-1.7 -0.983 21.6-175.4-121.5 121.9 9.8 -21.6 -20.5 42 40 A T E -CD 54 215A 0 12,-2.3 12,-1.7 -2,-0.5 2,-0.5 -0.782 25.1-146.1-120.5 150.9 12.0 -20.1 -23.2 43 41 A K E -CD 53 214A 51 171,-2.6 171,-2.4 -2,-0.3 2,-0.2 -0.988 30.0-124.6-112.0 128.8 14.7 -21.3 -25.6 44 42 A T E - D 0 213A 8 8,-2.6 2,-0.5 -2,-0.5 8,-0.3 -0.525 18.9-137.1 -72.2 133.6 17.4 -18.8 -26.3 45 43 A L E + D 0 212A 65 167,-3.0 167,-0.5 -2,-0.2 2,-0.3 -0.843 56.3 96.5 -94.3 124.8 17.8 -18.0 -30.0 46 44 A N S S- 0 0 75 -2,-0.5 165,-0.0 2,-0.1 167,-0.0 -0.961 77.1 -95.5 177.0-173.4 21.6 -17.9 -31.0 47 45 A T + 0 0 137 -2,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.019 65.1 138.5-120.9 28.4 24.4 -19.9 -32.5 48 46 A E - 0 0 111 2,-0.2 -2,-0.1 1,-0.1 4,-0.0 -0.107 64.8-112.4 -72.6 171.9 26.2 -21.2 -29.4 49 47 A D S S+ 0 0 141 -35,-0.1 -35,-0.5 2,-0.0 2,-0.3 0.703 100.3 46.2 -73.4 -25.3 27.6 -24.8 -28.9 50 48 A T E S-A 13 0A 45 -37,-0.1 -37,-0.2 -36,-0.1 2,-0.2 -0.851 84.2-117.6-119.0 154.7 24.9 -25.5 -26.3 51 49 A D E -A 12 0A 8 -39,-2.0 -39,-2.8 -2,-0.3 2,-0.4 -0.564 26.0-150.8 -83.0 155.6 21.2 -25.0 -26.0 52 50 A E E -A 11 0A 28 -8,-0.3 -8,-2.6 -41,-0.2 2,-0.4 -0.985 13.7-178.5-134.1 125.3 19.8 -22.7 -23.3 53 51 A V E -AC 10 43A 0 -43,-2.0 -43,-3.4 -2,-0.4 2,-0.4 -0.981 8.8-160.2-122.1 131.1 16.4 -23.1 -21.7 54 52 A K E -AC 9 42A 12 -12,-1.7 -12,-2.3 -2,-0.4 2,-0.7 -0.938 8.1-157.0-114.4 136.5 15.1 -20.7 -19.0 55 53 A I E -AC 8 41A 20 -47,-2.5 -47,-2.3 -2,-0.4 2,-0.6 -0.938 16.7-168.0-107.9 108.5 12.3 -21.4 -16.6 56 54 A L E -AC 7 40A 8 -16,-3.1 -16,-2.1 -2,-0.7 2,-0.4 -0.889 2.0-169.2-102.7 124.5 10.9 -18.0 -15.4 57 55 A T E -AC 6 39A 8 -51,-3.1 -51,-1.9 -2,-0.6 2,-0.5 -0.945 6.3-156.3-115.2 134.9 8.5 -18.0 -12.4 58 56 A I E +AC 5 38A 1 -20,-2.7 -21,-2.5 -2,-0.4 -20,-1.4 -0.942 17.5 177.0-115.5 129.9 6.5 -15.0 -11.4 59 57 A W E -AC 4 36A 0 -55,-2.9 -55,-2.5 -2,-0.5 -23,-0.2 -0.873 42.6-121.6-131.6 154.7 5.3 -14.7 -7.8 60 58 A E S S- 0 0 93 -25,-2.6 2,-0.3 -2,-0.3 -24,-0.1 0.789 98.1 -3.4 -65.8 -26.7 3.4 -12.2 -5.7 61 59 A S S > S- 0 0 36 -26,-0.2 4,-1.3 -57,-0.1 3,-0.4 -0.981 70.1-107.9-159.6 160.0 6.4 -12.0 -3.3 62 60 A E H > S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.836 118.0 61.8 -61.7 -34.3 9.9 -13.5 -2.7 63 61 A D H > S+ 0 0 109 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.861 98.3 54.9 -55.7 -43.0 8.3 -15.4 0.3 64 62 A S H > S+ 0 0 5 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.917 110.2 46.5 -59.3 -47.3 5.9 -17.2 -2.0 65 63 A F H X S+ 0 0 9 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.915 110.6 51.6 -58.6 -48.0 8.9 -18.5 -4.0 66 64 A N H X S+ 0 0 52 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.909 107.7 53.6 -58.4 -44.2 10.8 -19.5 -0.9 67 65 A N H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 112.0 44.7 -53.6 -48.0 7.8 -21.4 0.4 68 66 A W H >< S+ 0 0 31 -4,-2.0 3,-2.3 1,-0.2 6,-0.5 0.939 108.2 56.4 -62.9 -48.3 7.6 -23.4 -2.9 69 67 A L H 3< S+ 0 0 69 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 114.0 41.2 -54.8 -35.1 11.4 -24.0 -3.0 70 68 A N T 3< S+ 0 0 140 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.259 98.0 109.8 -93.9 11.5 11.1 -25.6 0.4 71 69 A S S <> S- 0 0 26 -3,-2.3 4,-1.4 1,-0.1 5,-0.1 -0.411 76.9-120.4 -94.3 161.3 7.9 -27.6 -0.2 72 70 A D H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.844 113.6 59.1 -57.2 -38.3 7.0 -31.2 -0.7 73 71 A V H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 101.8 51.6 -67.4 -36.1 5.7 -30.4 -4.2 74 72 A F H > S+ 0 0 54 -6,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.943 110.9 49.7 -60.1 -48.0 9.0 -29.0 -5.3 75 73 A K H X S+ 0 0 154 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.919 111.1 49.7 -55.9 -46.8 10.6 -32.3 -4.2 76 74 A E H >< S+ 0 0 102 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.912 108.9 50.2 -59.3 -47.1 8.0 -34.3 -6.0 77 75 A A H 3< S+ 0 0 21 -4,-2.4 3,-0.3 -49,-0.3 -1,-0.2 0.823 118.4 39.3 -64.2 -31.6 8.4 -32.5 -9.4 78 76 A H H >< S+ 0 0 66 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.2 0.342 81.4 104.1-100.5 3.5 12.2 -32.9 -9.3 79 77 A K T << S+ 0 0 100 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.773 92.0 35.1 -64.5 -25.2 12.5 -36.4 -7.9 80 78 A N T 3 S+ 0 0 120 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.246 91.5 113.8-106.5 7.3 13.4 -37.9 -11.4 81 79 A V < + 0 0 54 -3,-1.5 2,-0.3 11,-0.0 -3,-0.0 -0.693 43.3 175.9 -82.4 129.8 15.3 -34.9 -12.7 82 80 A R - 0 0 75 -2,-0.4 12,-0.4 7,-0.1 2,-0.3 -0.969 26.3-132.5-132.3 150.0 19.1 -35.6 -13.2 83 81 A L > - 0 0 43 -2,-0.3 3,-1.7 1,-0.1 12,-0.2 -0.682 32.8-112.9 -88.5 154.0 22.1 -33.7 -14.5 84 82 A K T 3 S+ 0 0 74 10,-3.1 5,-0.2 -2,-0.3 11,-0.1 0.787 120.3 57.0 -48.6 -29.8 24.5 -35.4 -17.1 85 83 A S T 3 S+ 0 0 89 9,-0.4 -1,-0.3 10,-0.2 2,-0.1 0.570 84.5 103.3 -85.4 -13.2 27.0 -35.3 -14.2 86 84 A D S X S- 0 0 60 -3,-1.7 3,-2.2 3,-0.1 6,-0.1 -0.386 85.7-111.9 -69.3 148.5 24.8 -37.3 -11.8 87 85 A D T 3 S+ 0 0 158 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.855 120.0 31.3 -47.5 -42.9 25.7 -40.9 -11.1 88 86 A D T 3 S+ 0 0 88 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.017 93.8 103.4-105.0 27.1 22.5 -42.1 -12.9 89 87 A G X + 0 0 1 -3,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.149 32.9 119.2 -99.8 19.4 22.3 -39.1 -15.3 90 88 A Q T 3 S+ 0 0 115 1,-0.3 -1,-0.2 -3,-0.2 -6,-0.1 0.836 79.8 46.5 -50.1 -42.4 23.5 -40.9 -18.5 91 89 A Q T 3 S+ 0 0 172 -3,-0.4 -1,-0.3 -8,-0.1 -2,-0.1 0.678 91.4 102.4 -77.2 -21.5 20.3 -40.1 -20.3 92 90 A S < - 0 0 10 -3,-1.1 -9,-0.1 -9,-0.2 -3,-0.0 -0.410 51.4-165.2 -71.8 133.8 20.0 -36.4 -19.3 93 91 A P + 0 0 10 0, 0.0 -80,-2.2 0, 0.0 2,-0.7 0.372 58.9 113.9 -91.2 6.3 21.0 -33.7 -21.7 94 92 A I E +B 12 0A 7 -12,-0.4 -10,-3.1 -82,-0.2 -9,-0.4 -0.673 38.5 175.6 -86.0 111.5 21.1 -31.2 -18.8 95 93 A L E - 0 0 66 -84,-2.3 2,-0.3 -2,-0.7 -83,-0.2 0.832 59.3 -34.6 -82.8 -35.5 24.7 -30.0 -18.3 96 94 A S E -B 11 0A 50 -85,-1.2 -85,-2.4 -12,-0.1 2,-0.3 -0.969 51.2-142.2-174.8 167.2 24.2 -27.4 -15.5 97 95 A N E -B 10 0A 79 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.959 5.0-166.4-143.0 162.4 21.9 -24.8 -14.0 98 96 A K E -B 9 0A 116 -89,-1.4 -89,-2.6 -2,-0.3 2,-0.4 -0.963 16.3-138.3-148.4 137.0 22.0 -21.4 -12.3 99 97 A V E -B 8 0A 74 -2,-0.3 2,-0.3 -91,-0.2 -91,-0.2 -0.797 17.9-173.3 -99.0 134.1 19.3 -19.5 -10.4 100 98 A F E -B 7 0A 42 -93,-2.5 -93,-3.1 -2,-0.4 2,-0.4 -0.919 7.3-154.5-121.7 150.9 18.7 -15.8 -10.8 101 99 A K E -B 6 0A 57 -2,-0.3 55,-2.6 55,-0.3 2,-0.3 -0.978 12.0-178.3-131.3 144.3 16.4 -13.6 -8.8 102 100 A Y E -BE 5 155A 3 -97,-2.7 -97,-2.4 -2,-0.4 2,-0.5 -0.991 26.4-134.8-142.0 140.6 14.7 -10.3 -9.7 103 101 A D E -BE 4 154A 46 51,-2.1 51,-2.6 -2,-0.3 2,-0.9 -0.845 29.7-132.5 -86.5 134.6 12.4 -7.6 -8.3 104 102 A I E + E 0 153A 4 -101,-2.6 -101,-0.5 -2,-0.5 49,-0.2 -0.805 27.6 178.1 -88.0 106.6 9.7 -6.7 -10.8 105 103 A G E + 0 0 12 47,-1.9 2,-0.3 -2,-0.9 48,-0.2 0.721 64.8 9.3 -79.4 -26.6 9.7 -2.9 -10.9 106 104 A Y E - 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0 0 26 -26,-0.1 4,-1.1 -57,-0.1 -1,-0.2 -0.968 69.8-108.0-160.3 160.3 5.8 -13.3 -33.2 173 60 B E H > S+ 0 0 77 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.807 116.8 62.8 -63.2 -34.4 9.3 -12.1 -33.9 174 61 B D H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 99.3 54.8 -58.2 -38.9 7.9 -10.1 -36.9 175 62 B S H > S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 109.0 47.0 -60.4 -45.0 5.8 -8.0 -34.5 176 63 B F H X S+ 0 0 9 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.893 110.9 51.4 -62.6 -43.8 8.9 -7.1 -32.5 177 64 B N H X S+ 0 0 53 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.905 105.9 55.7 -61.7 -41.1 10.8 -6.2 -35.7 178 65 B N H < S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.910 107.6 49.7 -55.9 -42.4 8.0 -4.0 -36.7 179 66 B W H >< S+ 0 0 31 -4,-1.7 3,-2.0 1,-0.2 6,-0.4 0.945 106.9 53.9 -62.0 -47.0 8.3 -2.1 -33.4 180 67 B L H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 113.6 43.3 -56.3 -34.5 12.1 -1.7 -33.9 181 68 B N T 3< S+ 0 0 133 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.370 97.2 109.4 -88.8 1.7 11.5 -0.1 -37.3 182 69 B S S <> S- 0 0 25 -3,-2.0 4,-1.3 -4,-0.2 5,-0.1 -0.286 75.5-125.3 -84.3 163.3 8.6 2.0 -36.0 183 70 B D H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.833 110.8 58.8 -71.0 -33.5 8.4 5.8 -35.4 184 71 B V H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.815 101.1 54.6 -67.9 -33.3 7.3 5.2 -31.8 185 72 B F H > S+ 0 0 53 -6,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.947 110.1 46.8 -59.8 -51.8 10.5 3.3 -31.1 186 73 B K H X S+ 0 0 162 -4,-1.3 4,-0.7 1,-0.2 -2,-0.2 0.922 112.9 49.5 -56.3 -44.0 12.5 6.3 -32.3 187 74 B E H >< S+ 0 0 104 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.905 109.5 50.5 -64.6 -43.5 10.4 8.8 -30.3 188 75 B A H 3< S+ 0 0 22 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.831 117.0 41.2 -62.5 -32.0 10.8 6.7 -27.1 189 76 B H H >< S+ 0 0 69 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.413 83.4 99.8 -99.4 3.2 14.6 6.6 -27.5 190 77 B K T << S+ 0 0 105 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.870 90.7 37.4 -62.9 -37.8 15.3 10.1 -28.7 191 78 B N T 3 S+ 0 0 120 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.230 91.5 113.5 -98.6 18.5 16.4 11.4 -25.2 192 79 B V < - 0 0 54 -3,-1.5 2,-0.4 11,-0.0 -3,-0.0 -0.746 43.7-179.9 -89.4 130.7 18.2 8.1 -24.2 193 80 B R - 0 0 91 -2,-0.5 12,-0.4 7,-0.1 2,-0.2 -0.987 24.4-138.1-133.0 141.8 22.0 8.4 -23.9 194 81 B L > - 0 0 50 -2,-0.4 3,-1.0 1,-0.1 12,-0.2 -0.586 34.4-112.5 -83.0 157.4 24.8 6.0 -23.0 195 82 B K T 3 S+ 0 0 62 10,-2.4 5,-0.2 1,-0.2 11,-0.1 0.830 116.2 53.7 -61.1 -32.0 27.5 7.4 -20.7 196 83 B S T 3 S+ 0 0 99 10,-0.3 -1,-0.2 9,-0.2 5,-0.1 0.561 82.7 109.6 -84.6 -10.4 30.1 7.3 -23.5 197 84 B D S X S- 0 0 59 -3,-1.0 3,-2.3 3,-0.1 4,-0.3 -0.308 87.5-107.2 -56.1 151.4 28.0 9.3 -25.9 198 85 B D T 3 S+ 0 0 175 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.834 121.9 27.4 -54.0 -40.4 29.4 12.9 -26.4 199 86 B D T 3 S+ 0 0 107 1,-0.1 -1,-0.3 -5,-0.1 3,-0.3 -0.037 104.0 93.7-107.7 24.8 26.6 14.5 -24.3 200 87 B G X + 0 0 1 -3,-2.3 3,-2.4 -5,-0.2 -2,-0.2 0.460 39.5 110.4-101.0 -1.1 26.2 11.3 -22.2 201 88 B Q T 3 S+ 0 0 145 -4,-0.3 -1,-0.2 1,-0.3 -6,-0.1 0.777 79.1 51.9 -53.3 -33.6 28.4 11.8 -19.2 202 89 B Q T 3 S+ 0 0 166 -3,-0.3 -1,-0.3 -8,-0.1 -7,-0.1 0.622 87.9 101.4 -79.2 -12.4 25.5 12.2 -16.7 203 90 B S < - 0 0 18 -3,-2.4 -3,-0.0 -9,-0.2 -9,-0.0 -0.545 61.2-154.2 -72.6 135.2 23.8 9.0 -17.8 204 91 B P + 0 0 13 0, 0.0 -80,-2.4 0, 0.0 2,-0.8 0.431 66.0 106.2 -85.4 2.2 24.2 5.9 -15.6 205 92 B I E + G 0 123A 9 -12,-0.4 -10,-2.4 -82,-0.2 -9,-0.2 -0.742 40.9 173.4 -89.4 114.5 23.6 3.6 -18.6 206 93 B L E - 0 0 55 -84,-2.3 2,-0.3 -2,-0.8 -10,-0.3 0.858 59.0 -32.0 -86.9 -42.4 26.9 2.0 -19.7 207 94 B S E - G 0 122A 45 -85,-1.2 -85,-2.4 -13,-0.1 2,-0.3 -0.971 50.2-138.1-165.7 170.9 25.7 -0.4 -22.3 208 95 B N E - G 0 121A 78 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.942 5.6-163.2-136.4 163.3 22.9 -2.7 -23.4 209 96 B K E - G 0 120A 108 -89,-1.5 -89,-2.8 -2,-0.3 2,-0.4 -0.962 14.6-142.4-147.6 129.3 22.7 -6.2 -24.9 210 97 B V E - G 0 119A 72 -2,-0.3 2,-0.4 -91,-0.2 -91,-0.2 -0.767 15.1-170.6 -96.8 137.6 19.6 -7.7 -26.6 211 98 B F E - G 0 118A 40 -93,-2.6 -93,-3.3 -2,-0.4 2,-0.4 -0.973 7.4-152.7-125.8 140.6 18.6 -11.3 -26.2 212 99 B K E -DG 45 117A 71 -167,-0.5 -167,-3.0 -2,-0.4 2,-0.4 -0.931 14.0-177.5-119.6 140.4 15.9 -13.2 -28.2 213 100 B Y E -DG 44 116A 0 -97,-2.7 -97,-2.7 -2,-0.4 2,-0.5 -0.993 26.7-138.8-138.4 141.6 13.8 -16.2 -27.1 214 101 B D E -DG 43 115A 48 -171,-2.4 -171,-2.6 -2,-0.4 2,-1.0 -0.840 29.7-133.2 -89.4 133.5 11.2 -18.5 -28.4 215 102 B I E +D 42 0A 4 -101,-2.8 -101,-0.5 -2,-0.5 -173,-0.3 -0.803 26.4 180.0 -91.1 103.8 8.6 -19.1 -25.6 216 103 B G E + 0 0 10 -175,-1.9 2,-0.3 -2,-1.0 -174,-0.2 0.771 64.5 7.8 -73.4 -31.5 8.1 -22.8 -25.6 217 104 B Y E -D 41 0A 43 -176,-1.7 -176,-2.8 2,-0.0 2,-0.3 -0.985 58.4-173.2-152.5 144.6 5.6 -23.0 -22.8 218 105 B H E -D 40 0A 54 -2,-0.3 2,-0.4 -178,-0.2 -178,-0.2 -1.000 3.6-178.6-137.6 139.7 3.4 -20.6 -20.7 219 106 B Y E -D 39 0A 57 -180,-2.4 -180,-2.7 -2,-0.3 2,-0.4 -0.985 5.0-169.0-137.9 131.4 1.2 -21.3 -17.7 220 107 B Q E D 38 0A 109 -2,-0.4 -182,-0.2 -182,-0.2 -183,-0.1 -0.938 360.0 360.0-113.8 141.1 -1.0 -18.8 -15.7 221 108 B K 0 0 139 -184,-3.0 -189,-0.0 -2,-0.4 -2,-0.0 -0.571 360.0 360.0 -78.8 360.0 -2.7 -19.7 -12.4