==== 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 24-JAN-11 3QGP . COMPND 2 MOLECULE: HEME-DEGRADING MONOOXYGENASE ISDI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS N3 . 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) . 12414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 71.8 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 . 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 . 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 . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 13.2 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 1 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 4 0 2 2 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 0 143 0, 0.0 2,-0.3 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 141.9 -5.1 -4.0 2.6 2 0 A H - 0 0 110 1,-0.1 60,-0.2 104,-0.0 103,-0.1 -0.644 360.0-117.5 -85.4 141.7 -7.0 -5.0 5.7 3 1 A M - 0 0 40 101,-0.5 101,-2.6 -2,-0.3 2,-0.3 -0.211 32.7-142.2 -60.8 165.1 -6.5 -8.2 7.6 4 2 A F E -AB 59 103A 0 55,-2.1 55,-3.0 99,-0.2 2,-0.4 -0.974 9.5-154.4-141.5 143.4 -9.5 -10.6 7.7 5 3 A M E -AB 58 102A 3 97,-2.7 97,-2.7 -2,-0.3 2,-0.4 -0.989 4.4-169.0-124.3 132.0 -11.0 -12.8 10.3 6 4 A A E -AB 57 101A 3 51,-2.0 51,-2.5 -2,-0.4 2,-0.4 -0.987 11.8-164.9-116.3 134.5 -13.1 -16.0 9.7 7 5 A E E -AB 56 100A 6 93,-3.1 93,-2.6 -2,-0.4 2,-0.6 -0.950 14.0-161.4-121.6 132.3 -14.9 -17.5 12.7 8 6 A N E -AB 55 99A 41 47,-2.2 47,-2.7 -2,-0.4 2,-0.6 -0.980 15.9-158.0-108.8 119.0 -16.5 -20.9 13.0 9 7 A R E -AB 54 98A 37 89,-2.8 89,-1.5 -2,-0.6 2,-0.5 -0.884 5.0-161.0 -99.5 117.4 -18.9 -20.9 15.9 10 8 A L E -AB 53 97A 10 43,-3.3 43,-2.0 -2,-0.6 2,-0.6 -0.867 8.4-155.0-101.3 126.5 -19.7 -24.4 17.4 11 9 A Q E -AB 52 96A 53 85,-2.2 84,-2.4 -2,-0.5 85,-1.1 -0.875 28.3-173.1 -94.6 123.4 -22.8 -25.0 19.6 12 10 A L E -AB 51 94A 0 39,-2.8 39,-2.7 -2,-0.6 82,-0.2 -0.879 30.2 -95.3-125.1 150.9 -21.9 -27.9 21.8 13 11 A Q E > -A 50 0A 83 80,-2.3 3,-1.9 -2,-0.3 4,-0.2 -0.321 64.4 -81.3 -58.5 144.8 -23.7 -30.2 24.3 14 12 A K T 3 S+ 0 0 110 35,-0.5 -1,-0.1 1,-0.2 36,-0.1 -0.217 115.5 17.3 -53.7 130.8 -23.2 -29.0 27.8 15 13 A G T 3 S+ 0 0 48 -3,-0.1 4,-0.3 1,-0.0 -1,-0.2 0.338 97.3 97.8 93.2 -4.1 -19.8 -30.0 29.3 16 14 A S <> + 0 0 6 -3,-1.9 4,-1.9 1,-0.2 5,-0.2 0.367 49.2 96.9-101.6 5.6 -18.1 -30.9 26.0 17 15 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 83.9 49.7 -59.4 -47.5 -16.1 -27.7 25.4 18 16 A E H > S+ 0 0 95 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 112.2 45.6 -62.6 -45.9 -12.9 -29.0 26.9 19 17 A E H > S+ 0 0 111 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.854 114.6 49.8 -67.2 -33.6 -12.8 -32.3 24.9 20 18 A T H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.913 107.3 53.5 -70.5 -43.1 -13.7 -30.4 21.7 21 19 A I H >< S+ 0 0 8 -4,-2.7 3,-2.3 1,-0.3 4,-0.3 0.887 99.5 63.3 -59.6 -37.4 -10.9 -27.8 22.2 22 20 A E H >< S+ 0 0 112 -4,-1.8 3,-1.1 1,-0.3 4,-0.4 0.761 90.4 67.7 -59.9 -25.5 -8.3 -30.6 22.6 23 21 A R T << S+ 0 0 116 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.644 98.0 53.3 -68.0 -15.7 -9.0 -31.6 19.0 24 22 A F T < S+ 0 0 48 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.444 81.5 89.8 -99.9 -3.2 -7.5 -28.3 17.8 25 23 A Y S < S+ 0 0 99 -3,-1.1 2,-0.5 -4,-0.3 -1,-0.1 0.882 80.0 62.7 -60.1 -42.6 -4.1 -28.6 19.6 26 24 A N S S- 0 0 129 -4,-0.4 -1,-0.1 -3,-0.2 2,-0.0 -0.773 86.9-126.5 -94.5 123.1 -2.4 -30.4 16.7 27 25 A R - 0 0 58 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.329 17.9-168.8 -68.2 148.0 -2.0 -28.5 13.4 28 26 A Q - 0 0 94 -4,-0.1 49,-0.3 -2,-0.0 -1,-0.1 -0.061 66.5 -62.6-131.0 30.5 -3.3 -30.2 10.2 29 27 A G S > S+ 0 0 9 47,-0.1 3,-2.1 48,-0.1 4,-0.2 0.176 100.4 111.8 118.8 -17.1 -1.9 -27.9 7.5 30 28 A I G > S+ 0 0 11 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.831 75.2 65.4 -57.9 -31.2 -3.4 -24.5 8.0 31 29 A E G 3 S+ 0 0 61 1,-0.3 -1,-0.3 6,-0.0 5,-0.1 0.659 92.9 62.4 -64.4 -15.2 0.1 -23.2 9.0 32 30 A T G < S+ 0 0 94 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.465 80.2 106.4 -87.6 -2.9 1.3 -23.9 5.4 33 31 A I S X S- 0 0 23 -3,-1.7 3,-1.9 -4,-0.2 2,-0.2 -0.695 76.3-121.3 -89.3 124.2 -1.1 -21.4 3.9 34 32 A E T 3 S+ 0 0 159 -2,-0.5 34,-0.1 1,-0.2 33,-0.1 -0.435 100.6 25.1 -56.3 126.0 0.3 -18.2 2.6 35 33 A G T 3 S+ 0 0 8 1,-0.4 25,-2.2 -2,-0.2 -1,-0.2 0.163 85.0 131.1 101.1 -18.9 -1.4 -15.4 4.5 36 34 A F E < +C 59 0A 6 -3,-1.9 -1,-0.4 23,-0.2 23,-0.2 -0.512 21.4 160.1 -67.7 132.4 -2.4 -17.4 7.6 37 35 A Q E - 0 0 59 21,-2.5 184,-2.9 1,-0.4 2,-0.3 0.761 49.9 -1.8-122.7 -52.7 -1.3 -15.4 10.7 38 36 A Q E -CD 58 220A 1 20,-1.4 20,-3.0 182,-0.2 -1,-0.4 -0.989 44.8-162.1-144.6 154.5 -3.1 -16.5 13.9 39 37 A M E -CD 57 219A 6 180,-2.4 180,-2.4 -2,-0.3 2,-0.4 -0.998 5.5-172.2-136.9 143.1 -5.7 -18.8 15.4 40 38 A F E -CD 56 218A 3 16,-2.2 16,-3.0 -2,-0.3 2,-0.5 -0.988 7.8-161.8-125.0 138.4 -7.6 -18.6 18.7 41 39 A V E -CD 55 217A 0 176,-2.6 175,-1.9 -2,-0.4 176,-1.4 -0.993 24.3-175.4-120.7 120.9 -9.9 -21.4 20.0 42 40 A T E -CD 54 215A 0 12,-2.7 12,-1.8 -2,-0.5 2,-0.5 -0.830 26.3-148.5-121.2 153.5 -12.2 -19.9 22.8 43 41 A K E -CD 53 214A 51 171,-2.2 171,-2.4 -2,-0.3 10,-0.2 -0.992 28.9-126.9-116.5 126.4 -14.9 -21.1 25.2 44 42 A T E - D 0 213A 9 8,-2.2 2,-0.7 -2,-0.5 8,-0.3 -0.503 16.3-137.6 -72.8 135.0 -17.6 -18.6 26.1 45 43 A L + 0 0 71 167,-2.9 167,-0.5 -2,-0.2 2,-0.3 -0.862 55.0 106.7 -94.2 115.2 -18.0 -17.9 29.8 46 44 A N S S- 0 0 74 -2,-0.7 165,-0.0 2,-0.1 167,-0.0 -0.932 74.6 -99.6-167.6-174.3 -21.8 -17.8 30.6 47 45 A T + 0 0 144 -2,-0.3 -2,-0.0 2,-0.0 2,-0.0 -0.036 67.5 135.5-114.3 33.3 -24.7 -19.6 32.2 48 46 A E - 0 0 120 2,-0.2 -2,-0.1 1,-0.1 4,-0.0 -0.205 65.1-113.6 -83.9 170.9 -26.3 -21.1 29.1 49 47 A D S S+ 0 0 148 -35,-0.1 -35,-0.5 2,-0.0 2,-0.3 0.609 99.1 43.6 -73.7 -21.1 -27.7 -24.6 28.3 50 48 A T E S-A 13 0A 42 -37,-0.1 2,-0.2 -36,-0.1 -37,-0.2 -0.831 84.9-115.9-120.9 160.2 -25.1 -25.4 25.7 51 49 A D E -A 12 0A 6 -39,-2.7 -39,-2.8 -2,-0.3 2,-0.4 -0.644 27.2-149.8 -88.2 156.9 -21.3 -24.9 25.6 52 50 A E E -A 11 0A 30 -8,-0.3 -8,-2.2 -2,-0.2 2,-0.4 -0.983 15.2-179.9-135.0 123.8 -20.0 -22.5 22.9 53 51 A V E -AC 10 43A 0 -43,-2.0 -43,-3.3 -2,-0.4 2,-0.4 -0.985 8.5-163.3-122.0 129.3 -16.6 -22.8 21.3 54 52 A K E -AC 9 42A 4 -12,-1.8 -12,-2.7 -2,-0.4 2,-0.6 -0.938 9.2-155.2-115.6 139.5 -15.3 -20.4 18.6 55 53 A I E -AC 8 41A 16 -47,-2.7 -47,-2.2 -2,-0.4 2,-0.5 -0.955 15.4-168.5-110.2 112.4 -12.4 -20.9 16.2 56 54 A L E -AC 7 40A 6 -16,-3.0 -16,-2.2 -2,-0.6 2,-0.4 -0.894 2.6-170.4-105.0 125.8 -11.0 -17.5 15.1 57 55 A T E -AC 6 39A 6 -51,-2.5 -51,-2.0 -2,-0.5 2,-0.4 -0.965 7.5-155.0-118.0 133.4 -8.6 -17.5 12.2 58 56 A I E -AC 5 38A 0 -20,-3.0 -21,-2.5 -2,-0.4 -20,-1.4 -0.926 17.6-178.5-114.0 130.7 -6.7 -14.3 11.3 59 57 A W E -AC 4 36A 0 -55,-3.0 -55,-2.1 -2,-0.4 -23,-0.2 -0.885 41.0-123.6-131.5 154.8 -5.5 -13.7 7.7 60 58 A E S S- 0 0 107 -25,-2.2 2,-0.3 -2,-0.3 -24,-0.1 0.810 98.8 -7.3 -63.3 -32.9 -3.5 -11.2 5.6 61 59 A S > - 0 0 31 -26,-0.2 4,-1.3 -57,-0.1 3,-0.3 -0.979 69.0-107.9-154.7 164.5 -6.5 -11.0 3.3 62 60 A E H > S+ 0 0 67 -2,-0.3 4,-2.6 -60,-0.2 5,-0.2 0.824 118.4 63.8 -62.0 -32.6 -9.9 -12.7 2.6 63 61 A D H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 98.7 54.0 -55.1 -44.7 -8.2 -14.2 -0.5 64 62 A S H > S+ 0 0 9 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.940 109.7 46.4 -55.5 -53.2 -5.8 -16.1 1.9 65 63 A F H X S+ 0 0 9 -4,-1.3 4,-3.2 1,-0.2 -2,-0.2 0.915 110.1 53.2 -57.2 -47.8 -8.8 -17.6 3.8 66 64 A N H X S+ 0 0 50 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.882 106.5 54.0 -55.4 -42.2 -10.6 -18.6 0.5 67 65 A N H < S+ 0 0 106 -4,-2.3 4,-0.2 2,-0.2 -1,-0.2 0.933 112.6 42.9 -56.5 -49.0 -7.5 -20.4 -0.6 68 66 A W H >< S+ 0 0 29 -4,-2.0 3,-2.0 1,-0.2 6,-0.5 0.939 110.6 55.3 -63.3 -46.4 -7.4 -22.4 2.6 69 67 A L H 3< S+ 0 0 66 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 113.9 41.4 -57.1 -35.5 -11.2 -23.0 2.6 70 68 A N T 3< S+ 0 0 139 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.376 99.8 110.2 -92.0 5.5 -10.9 -24.5 -0.9 71 69 A S S <> S- 0 0 24 -3,-2.0 4,-1.8 -4,-0.2 5,-0.1 -0.309 77.0-120.5 -87.0 160.7 -7.7 -26.5 -0.2 72 70 A D H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.857 113.6 57.0 -59.4 -37.2 -6.8 -30.2 0.2 73 71 A V H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 104.7 50.7 -71.2 -30.6 -5.6 -29.5 3.8 74 72 A F H > S+ 0 0 52 -6,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.951 111.2 49.0 -64.1 -48.9 -9.0 -28.1 4.8 75 73 A K H X S+ 0 0 135 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.918 112.9 47.7 -56.1 -46.3 -10.6 -31.1 3.4 76 74 A E H >< S+ 0 0 94 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.939 108.2 53.5 -61.9 -48.8 -8.2 -33.4 5.3 77 75 A A H 3< S+ 0 0 23 -4,-2.4 3,-0.2 -49,-0.3 -1,-0.2 0.807 119.0 35.6 -56.1 -32.0 -8.6 -31.6 8.6 78 76 A H H >< S+ 0 0 65 -4,-1.6 3,-1.6 -3,-0.3 -1,-0.2 0.393 83.6 105.2-105.1 -0.0 -12.4 -32.0 8.5 79 77 A K T << S+ 0 0 101 -3,-1.1 -1,-0.1 -4,-0.7 -2,-0.1 0.772 90.8 35.1 -58.4 -29.0 -12.7 -35.5 6.8 80 78 A N T 3 S+ 0 0 116 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.321 89.5 119.4-107.2 7.5 -13.7 -37.2 10.1 81 79 A V < - 0 0 51 -3,-1.6 2,-0.3 11,-0.0 -3,-0.0 -0.578 39.9-179.2 -76.0 129.0 -15.7 -34.4 11.6 82 80 A R - 0 0 83 -2,-0.3 12,-0.3 7,-0.1 2,-0.3 -0.955 21.4-138.4-129.0 149.9 -19.4 -35.1 12.3 83 81 A L > - 0 0 41 -2,-0.3 3,-2.0 10,-0.1 12,-0.2 -0.756 30.8-114.9 -95.7 152.2 -22.4 -33.2 13.7 84 82 A K T 3 S+ 0 0 78 10,-3.0 5,-0.2 -2,-0.3 11,-0.1 0.789 118.6 59.8 -51.9 -29.8 -24.8 -34.9 16.2 85 83 A S T 3 S+ 0 0 89 9,-0.4 -1,-0.3 10,-0.2 5,-0.1 0.628 85.9 100.6 -78.5 -13.8 -27.4 -34.4 13.4 86 84 A D S X S- 0 0 58 -3,-2.0 3,-1.9 3,-0.1 6,-0.1 -0.355 85.3-116.3 -70.3 152.1 -25.4 -36.6 11.0 87 85 A D T 3 S+ 0 0 159 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.820 119.9 34.0 -54.2 -36.4 -26.3 -40.2 10.3 88 86 A D T 3 S+ 0 0 87 1,-0.1 3,-0.3 -5,-0.1 -1,-0.3 -0.030 92.2 103.6-109.0 27.6 -23.0 -41.4 11.8 89 87 A G X + 0 0 1 -3,-1.9 3,-1.5 -5,-0.2 -1,-0.1 0.141 35.0 121.0 -99.6 20.1 -22.9 -38.5 14.4 90 88 A Q T 3 S+ 0 0 119 1,-0.3 -1,-0.2 -3,-0.2 -6,-0.1 0.802 80.0 40.5 -52.7 -40.8 -23.9 -40.5 17.5 91 89 A Q T 3 S+ 0 0 184 -3,-0.3 -1,-0.3 -8,-0.1 -2,-0.1 0.483 92.7 107.0 -90.5 -2.7 -20.7 -39.8 19.4 92 90 A S < - 0 0 12 -3,-1.5 -9,-0.1 -9,-0.2 -3,-0.0 -0.635 48.8-167.5 -83.1 129.2 -20.4 -36.1 18.3 93 91 A P + 0 0 9 0, 0.0 -80,-2.3 0, 0.0 2,-0.8 0.342 58.3 111.5 -87.4 5.4 -21.3 -33.4 20.9 94 92 A I E +B 12 0A 9 -12,-0.3 -10,-3.0 -82,-0.2 -9,-0.4 -0.719 41.5 178.7 -87.4 111.0 -21.3 -30.8 18.1 95 93 A L E - 0 0 65 -84,-2.4 2,-0.3 -2,-0.8 -10,-0.2 0.812 61.1 -32.0 -80.2 -34.3 -24.9 -29.6 17.6 96 94 A S E -B 11 0A 52 -85,-1.1 -85,-2.2 -12,-0.1 2,-0.3 -0.963 51.7-140.1-172.9 165.6 -24.3 -27.1 14.8 97 95 A N E -B 10 0A 74 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.973 8.3-168.6-138.6 154.0 -21.9 -24.6 13.4 98 96 A K E -B 9 0A 132 -89,-1.5 -89,-2.8 -2,-0.3 2,-0.4 -0.975 15.6-139.2-142.8 135.1 -22.1 -21.2 11.8 99 97 A V E -B 8 0A 74 -2,-0.3 2,-0.3 -91,-0.2 -91,-0.2 -0.756 17.4-173.0 -95.9 134.8 -19.5 -19.2 10.0 100 98 A F E -B 7 0A 40 -93,-2.6 -93,-3.1 -2,-0.4 2,-0.4 -0.950 6.9-155.7-124.8 145.9 -18.9 -15.5 10.5 101 99 A K E -B 6 0A 60 -2,-0.3 55,-2.7 55,-0.3 2,-0.4 -0.956 11.9-176.9-126.4 143.5 -16.6 -13.2 8.5 102 100 A Y E -BE 5 155A 2 -97,-2.7 -97,-2.7 -2,-0.4 2,-0.4 -0.997 25.8-135.6-142.4 140.8 -15.0 -9.9 9.5 103 101 A D E -BE 4 154A 55 51,-2.0 51,-2.7 -2,-0.4 2,-0.9 -0.803 28.4-134.3 -87.4 134.6 -12.8 -7.2 8.1 104 102 A I E + E 0 153A 4 -101,-2.6 -101,-0.5 -2,-0.4 49,-0.2 -0.841 25.4 179.2 -92.2 107.1 -10.2 -6.2 10.6 105 103 A G E + 0 0 14 47,-2.2 2,-0.3 -2,-0.9 48,-0.2 0.674 67.3 9.0 -79.5 -21.2 -10.2 -2.4 10.7 106 104 A Y E - 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0 0 20 -26,-0.2 4,-1.5 -57,-0.1 3,-0.4 -0.976 67.5-106.2-162.9 160.4 -5.6 -13.4 32.5 173 60 B E H > S+ 0 0 75 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.835 118.4 64.3 -60.4 -33.5 -9.1 -12.2 33.3 174 61 B D H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 99.5 51.8 -56.1 -43.3 -7.5 -10.4 36.3 175 62 B S H > S+ 0 0 7 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.917 109.7 48.8 -61.0 -46.9 -5.6 -8.2 33.9 176 63 B F H X S+ 0 0 10 -4,-1.5 4,-2.5 2,-0.2 3,-0.3 0.932 109.7 51.2 -59.1 -45.9 -8.7 -7.3 32.0 177 64 B N H X S+ 0 0 52 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.887 106.0 57.0 -59.2 -38.7 -10.5 -6.4 35.3 178 65 B N H < S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.5 47.4 -60.4 -38.0 -7.5 -4.2 36.2 179 66 B W H >< S+ 0 0 29 -4,-1.7 3,-1.9 -3,-0.3 6,-0.4 0.921 108.4 53.8 -67.7 -45.4 -8.1 -2.3 33.0 180 67 B L H 3< S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.846 111.2 48.0 -54.8 -32.3 -11.8 -1.9 33.7 181 68 B N T 3< S+ 0 0 134 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.369 96.4 105.3 -90.1 3.0 -10.9 -0.5 37.1 182 69 B S S <> S- 0 0 19 -3,-1.9 4,-1.2 -5,-0.1 -3,-0.1 -0.392 74.8-129.6 -86.6 158.5 -8.3 2.0 35.6 183 70 B D H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.834 109.6 62.2 -70.0 -31.8 -8.4 5.7 35.1 184 71 B V H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 99.7 53.6 -64.1 -35.0 -7.3 5.1 31.5 185 72 B F H > S+ 0 0 57 -6,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.949 110.9 46.8 -60.3 -46.5 -10.5 3.1 30.8 186 73 B K H X S+ 0 0 147 -4,-1.2 4,-0.6 1,-0.2 3,-0.2 0.922 111.8 50.1 -60.8 -45.1 -12.5 6.1 32.1 187 74 B E H < S+ 0 0 98 -4,-2.6 3,-0.4 1,-0.2 4,-0.2 0.837 108.8 51.7 -67.1 -33.8 -10.6 8.6 30.0 188 75 B A H < S+ 0 0 24 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.843 119.1 36.7 -67.3 -32.4 -11.0 6.6 26.8 189 76 B H H >< S+ 0 0 72 -4,-1.4 3,-1.3 -3,-0.2 -2,-0.2 0.333 83.7 106.5-103.2 6.2 -14.8 6.4 27.3 190 77 B K T 3< S+ 0 0 109 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.1 0.776 89.6 33.6 -64.7 -28.3 -15.4 9.9 28.8 191 78 B N T 3 S+ 0 0 120 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.354 89.2 121.5-106.4 6.3 -17.1 11.3 25.6 192 79 B V < - 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0 0 15 -3,-2.2 -9,-0.0 -9,-0.2 -3,-0.0 -0.518 59.5-153.6 -69.1 136.9 -24.6 8.9 18.0 204 91 B P + 0 0 12 0, 0.0 -80,-2.2 0, 0.0 2,-0.8 0.425 66.9 107.2 -84.8 0.6 -24.9 5.8 15.7 205 92 B I E + F 0 123A 8 -12,-0.4 -10,-2.7 -82,-0.2 -9,-0.3 -0.711 40.8 173.0 -87.1 110.0 -24.2 3.6 18.7 206 93 B L E - 0 0 54 -84,-2.4 -10,-0.3 -2,-0.8 2,-0.3 0.921 59.5 -29.8 -82.7 -48.3 -27.4 1.8 19.8 207 94 B S E - F 0 122A 44 -85,-1.3 -85,-2.6 -13,-0.1 2,-0.3 -0.970 49.7-138.5-158.5 167.8 -26.1 -0.6 22.4 208 95 B N E - F 0 121A 80 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.936 8.9-167.4-127.4 159.2 -23.2 -2.7 23.6 209 96 B K E - F 0 120A 135 -89,-1.0 -89,-2.7 -2,-0.3 2,-0.4 -0.967 15.5-140.7-143.8 132.4 -22.9 -6.2 25.0 210 97 B V E - F 0 119A 70 -2,-0.3 2,-0.4 -91,-0.2 -91,-0.2 -0.792 15.8-171.2 -96.6 133.2 -19.8 -7.7 26.7 211 98 B F E - F 0 118A 37 -93,-2.5 -93,-3.2 -2,-0.4 2,-0.4 -0.948 5.5-157.7-119.6 145.8 -18.7 -11.3 26.1 212 99 B K E - F 0 117A 73 -167,-0.5 -167,-2.9 -2,-0.4 2,-0.3 -0.963 11.8-175.4-127.4 140.7 -15.9 -13.1 28.0 213 100 B Y E -DF 44 116A 0 -97,-2.6 -97,-2.5 -2,-0.4 2,-0.5 -0.988 26.9-133.5-140.5 142.6 -13.9 -16.1 26.9 214 101 B D E -DF 43 115A 50 -171,-2.4 -171,-2.2 -2,-0.3 2,-0.9 -0.845 29.1-135.2 -86.7 126.7 -11.3 -18.5 28.1 215 102 B I E +DF 42 114A 2 -101,-2.5 -101,-0.5 -2,-0.5 -173,-0.2 -0.751 26.6 177.7 -86.5 106.2 -8.7 -18.9 25.4 216 103 B G E + 0 0 10 -175,-1.9 2,-0.3 -2,-0.9 -174,-0.2 0.690 67.7 10.4 -81.5 -22.3 -8.1 -22.7 25.2 217 104 B Y E -D 41 0A 42 -176,-1.4 -176,-2.6 2,-0.0 2,-0.3 -0.967 61.2-179.4-157.4 141.6 -5.6 -22.6 22.4 218 105 B H E -D 40 0A 47 -2,-0.3 2,-0.4 -178,-0.2 -178,-0.2 -0.993 1.0-179.0-143.6 139.5 -3.6 -19.9 20.5 219 106 B Y E -D 39 0A 67 -180,-2.4 -180,-2.4 -2,-0.3 2,-0.4 -0.997 4.0-172.8-137.2 132.8 -1.2 -20.1 17.6 220 107 B Q E D 38 0A 81 -2,-0.4 -182,-0.2 -182,-0.2 -183,-0.1 -0.993 360.0 360.0-124.8 127.3 0.7 -17.3 15.9 221 108 B K 0 0 145 -184,-2.9 -2,-0.0 -2,-0.4 -190,-0.0 -0.523 360.0 360.0 -72.8 360.0 2.8 -18.0 12.8