==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-05 2BMQ . COMPND 2 MOLECULE: OXYGENASE-ALPHA NBDO; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS SP.; . AUTHOR R.FRIEMANN,M.M.IVKOVIC-JENSEN,D.J.LESSNER,C.YU,D.T.GIBSON, . 631 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 0.2 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 . 47 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 2 1 0 5 0 2 1 0 2 0 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 4 4 3 2 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 2 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 3 A Y > 0 0 112 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -1.2 58.3 49.8 26.2 2 4 A Q T 3 + 0 0 152 1,-0.2 3,-0.2 2,-0.1 419,-0.1 0.758 360.0 30.1 -66.6 -34.1 58.5 52.6 28.8 3 5 A N T 3 S+ 0 0 133 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.257 75.8 114.2-126.1 47.3 61.1 54.9 27.4 4 6 A L S < S+ 0 0 24 -3,-0.9 9,-2.4 1,-0.2 2,-0.4 0.744 85.8 37.7 -84.3 -25.9 60.9 54.5 23.6 5 7 A V B S-A 12 0A 8 7,-0.2 7,-0.2 -4,-0.2 -1,-0.2 -0.989 86.4-136.3-124.3 134.9 59.7 58.1 23.3 6 8 A S > - 0 0 45 5,-2.1 3,-1.8 -2,-0.4 4,-0.2 -0.250 43.5 -58.3 -84.7 174.7 61.1 60.9 25.5 7 9 A E G > S+ 0 0 178 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.183 125.7 13.1 -53.1 142.6 59.3 63.8 27.3 8 10 A A G 3 S- 0 0 59 1,-0.3 -1,-0.3 2,-0.1 406,-0.2 0.591 122.1 -84.5 61.8 15.5 57.2 66.1 25.0 9 11 A G G < S+ 0 0 1 -3,-1.8 -1,-0.3 404,-0.2 -2,-0.2 0.738 89.1 145.1 61.4 26.2 57.7 63.4 22.2 10 12 A L < + 0 0 46 -3,-1.6 371,-3.4 -4,-0.2 2,-0.3 0.829 60.9 18.2 -68.3 -38.9 61.0 65.1 21.5 11 13 A T E - B 0 380A 30 369,-0.2 -5,-2.1 -4,-0.2 2,-0.4 -0.949 61.7-160.9-134.1 155.1 63.0 61.9 20.5 12 14 A Q E -AB 5 379A 3 367,-2.2 367,-3.5 -2,-0.3 2,-0.4 -0.992 28.5-113.4-132.8 140.8 62.2 58.4 19.5 13 15 A K E > - B 0 378A 46 -9,-2.4 3,-2.1 -2,-0.4 4,-0.2 -0.610 22.4-136.3 -69.2 129.4 64.3 55.3 19.5 14 16 A L G > S+ 0 0 20 363,-2.6 3,-2.0 -2,-0.4 355,-0.2 0.812 98.6 76.6 -56.4 -30.0 65.0 54.2 15.9 15 17 A L G >> S+ 0 0 35 360,-1.8 4,-2.3 1,-0.3 3,-2.1 0.723 75.2 77.2 -51.4 -27.0 64.3 50.6 17.0 16 18 A I G <4 S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.817 91.8 52.7 -60.3 -26.6 60.5 51.4 17.1 17 19 A H G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.2 173,-0.3 0.404 123.2 25.6 -86.0 1.2 60.5 51.1 13.2 18 20 A G T <4 S+ 0 0 0 -3,-2.1 2,-0.3 351,-0.4 -2,-0.2 0.536 82.9 116.3-137.1 -15.2 62.1 47.6 13.2 19 21 A D X - 0 0 61 -4,-2.3 4,-1.4 1,-0.1 351,-0.1 -0.478 45.3-158.3 -74.5 123.2 61.5 45.7 16.5 20 22 A K H > S+ 0 0 133 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.895 90.4 48.3 -65.5 -46.1 59.4 42.5 16.0 21 23 A E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 108.2 55.4 -66.5 -34.7 58.2 42.2 19.6 22 24 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 104.2 55.1 -65.0 -37.5 57.1 45.8 19.7 23 25 A F H X S+ 0 0 5 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.949 107.3 49.2 -58.5 -47.0 55.0 45.2 16.5 24 26 A Q H X S+ 0 0 97 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.913 111.0 51.1 -58.7 -40.6 53.2 42.3 18.3 25 27 A H H X S+ 0 0 35 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.846 104.4 56.9 -66.3 -35.2 52.7 44.7 21.3 26 28 A E H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 6,-0.5 0.858 101.0 57.0 -63.3 -36.2 51.2 47.4 18.9 27 29 A L H <>S+ 0 0 37 -4,-1.7 5,-0.5 1,-0.2 -1,-0.2 0.889 111.2 44.8 -61.3 -36.0 48.6 44.9 17.8 28 30 A K H <5S+ 0 0 158 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.769 131.5 17.4 -78.5 -32.5 47.5 44.5 21.4 29 31 A T T X5S+ 0 0 5 -4,-1.8 4,-1.3 3,-0.1 5,-0.3 0.807 130.2 33.9-101.4 -69.4 47.6 48.2 22.3 30 32 A I H >>5S+ 0 0 0 1,-0.2 4,-1.8 -5,-0.2 3,-0.5 0.931 128.0 30.2 -62.2 -57.2 47.5 50.5 19.2 31 33 A F H 34> -C 143 0B 5 -2,-0.3 3,-2.3 103,-0.2 4,-0.8 -0.887 32.6-115.5-114.1 151.0 33.3 55.9 2.9 41 43 A D G >4 S+ 0 0 58 101,-2.2 3,-1.0 -2,-0.3 102,-0.1 0.855 114.7 64.2 -45.3 -38.9 29.6 56.0 2.5 42 44 A S G 34 S+ 0 0 30 1,-0.3 -1,-0.3 134,-0.1 138,-0.1 0.603 99.5 51.3 -69.6 -14.0 30.2 56.5 -1.2 43 45 A L G <4 S+ 0 0 14 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.613 121.9 30.5 -96.5 -16.8 31.9 53.1 -1.6 44 46 A I S << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.1 -0.463 77.9 147.3-128.8 59.1 29.0 51.2 0.1 45 47 A P + 0 0 65 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.663 54.8 53.2 -74.5 -16.1 26.1 53.4 -1.0 46 48 A S S > S- 0 0 58 -3,-0.1 3,-2.6 1,-0.1 18,-0.3 -0.872 96.4 -85.2-124.6 150.3 23.3 50.8 -1.3 47 49 A P T 3 S+ 0 0 60 0, 0.0 18,-0.2 0, 0.0 19,-0.1 -0.253 117.2 23.0 -52.8 131.9 21.9 48.1 1.0 48 50 A G T 3 S+ 0 0 0 16,-2.9 44,-2.4 1,-0.4 17,-0.1 0.191 89.2 133.5 94.9 -18.2 24.0 44.9 0.6 49 51 A D E < +E 91 0C 8 -3,-2.6 15,-3.0 42,-0.3 -1,-0.4 -0.412 31.6 176.0 -64.1 141.2 27.1 46.8 -0.6 50 52 A Y E -EF 90 63C 7 40,-2.7 40,-2.3 13,-0.2 2,-0.3 -0.983 20.9-164.1-142.3 156.6 30.2 45.7 1.1 51 53 A V E -EF 89 62C 14 11,-1.7 11,-3.1 -2,-0.3 2,-0.6 -0.968 24.1-125.3-130.7 157.1 34.0 46.3 1.1 52 54 A K E + F 0 61C 30 36,-2.6 2,-0.3 -2,-0.3 9,-0.2 -0.897 37.7 176.6-101.7 117.8 36.8 44.2 2.6 53 55 A A E - F 0 60C 2 7,-2.4 7,-3.1 -2,-0.6 2,-0.4 -0.786 26.5-123.8-119.6 159.2 39.0 46.4 4.9 54 56 A K E - F 0 59C 26 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.862 13.3-169.0 -99.6 142.6 41.9 45.8 7.2 55 57 A M E > S- F 0 58C 1 3,-2.7 3,-1.8 -2,-0.4 2,-0.3 -0.930 75.0 -50.9-125.4 99.3 41.9 46.7 10.9 56 58 A G T 3 S- 0 0 1 -2,-0.5 -29,-0.0 1,-0.3 -24,-0.0 -0.553 121.5 -25.2 62.0-127.8 45.5 46.2 11.9 57 59 A V T 3 S+ 0 0 58 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.509 123.9 91.1 -90.7 -8.8 46.4 42.8 10.6 58 60 A D E < -F 55 0C 78 -3,-1.8 -3,-2.7 16,-0.0 2,-0.4 -0.510 69.5-135.0 -86.4 158.2 42.8 41.5 10.8 59 61 A E E -F 54 0C 48 -5,-0.2 16,-2.9 -2,-0.2 2,-0.3 -0.947 20.0-171.4-117.3 137.8 40.3 41.7 7.9 60 62 A V E -FG 53 74C 0 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.5 -0.899 23.1-132.8-125.5 151.6 36.7 42.8 8.2 61 63 A I E -FG 52 73C 0 12,-2.7 12,-2.1 -2,-0.3 2,-0.6 -0.926 22.1-157.8 -97.8 123.9 33.7 42.8 6.0 62 64 A V E -FG 51 72C 0 -11,-3.1 -11,-1.7 -2,-0.5 2,-0.4 -0.930 18.2-171.9-109.3 115.0 32.1 46.2 6.1 63 65 A S E -FG 50 71C 0 8,-2.9 8,-1.9 -2,-0.6 2,-0.6 -0.915 28.0-132.7-124.8 131.6 28.4 46.0 5.1 64 66 A R E - G 0 70C 29 -15,-3.0 -16,-2.9 -2,-0.4 6,-0.2 -0.690 35.9-139.6 -75.2 117.3 25.6 48.4 4.3 65 67 A Q > - 0 0 10 4,-3.1 3,-1.8 -2,-0.6 -16,-0.1 -0.286 20.0-108.8 -74.6 162.3 22.5 47.0 6.2 66 68 A N T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -19,-0.1 -2,-0.0 0.795 120.1 54.6 -61.6 -27.7 19.0 46.9 4.9 67 69 A D T 3 S- 0 0 132 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.315 123.8-102.8 -88.7 5.4 18.0 49.7 7.4 68 70 A G S < S+ 0 0 40 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.318 84.4 118.3 94.1 -9.3 20.8 52.0 6.1 69 71 A S - 0 0 51 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.254 59.5-123.6 -79.8 176.4 23.3 51.5 8.9 70 72 A V E +G 64 0C 26 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.984 26.4 176.9-125.9 131.2 26.7 50.0 8.6 71 73 A R E -G 63 0C 74 -8,-1.9 -8,-2.9 -2,-0.4 2,-0.4 -0.950 11.2-156.4-128.2 155.1 28.1 46.9 10.6 72 74 A A E -G 62 0C 0 62,-0.4 62,-2.9 -2,-0.3 2,-0.3 -0.984 8.8-173.5-134.7 146.2 31.5 45.2 10.2 73 75 A F E -GH 61 133C 3 -12,-2.1 -12,-2.7 -2,-0.4 60,-0.2 -0.983 36.2 -95.1-138.7 145.5 32.6 41.7 11.1 74 76 A L E -G 60 0C 36 58,-3.2 2,-2.2 -2,-0.3 -14,-0.3 -0.375 41.2-121.8 -55.8 136.2 35.8 39.7 11.2 75 77 A N S S+ 0 0 3 -16,-2.9 9,-0.7 56,-0.1 2,-0.4 -0.353 76.6 110.5 -83.6 59.2 36.2 37.9 7.9 76 78 A V B -J 83 0D 63 -2,-2.2 56,-0.4 7,-0.2 7,-0.2 -0.994 68.6-121.8-143.2 126.2 36.3 34.5 9.5 77 79 A C > - 0 0 6 5,-2.9 4,-0.8 -2,-0.4 53,-0.1 -0.432 15.9-138.6 -70.3 140.7 33.8 31.6 9.6 78 80 A R T 4 S+ 0 0 106 51,-0.3 -1,-0.1 2,-0.1 52,-0.1 0.513 93.4 62.5 -80.3 -3.5 32.6 30.6 13.0 79 81 A H T 4 S- 0 0 53 3,-0.1 -1,-0.1 50,-0.1 -3,-0.0 0.952 131.6 -17.2 -82.4 -76.8 32.8 26.9 12.1 80 82 A R T 4 S- 0 0 183 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.304 94.7-104.0-116.6 4.7 36.5 26.0 11.3 81 83 A G < + 0 0 41 -4,-0.8 -3,-0.1 1,-0.2 3,-0.1 0.621 60.0 158.7 87.3 15.1 37.8 29.6 10.8 82 84 A K - 0 0 64 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.2 -0.351 54.1 -96.4 -62.5 147.6 38.1 29.7 7.0 83 85 A T B -J 76 0D 59 -7,-0.2 15,-0.3 1,-0.1 -7,-0.2 -0.510 37.0-155.9 -64.5 135.8 38.2 33.2 5.5 84 86 A L + 0 0 10 -9,-0.7 2,-0.4 -2,-0.2 14,-0.2 0.929 66.8 37.0 -86.3 -47.7 34.6 34.0 4.4 85 87 A V + 0 0 10 1,-0.1 -1,-0.2 -10,-0.1 12,-0.0 -0.915 46.8 175.0-116.9 134.2 34.8 36.6 1.6 86 88 A H + 0 0 131 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.581 56.6 91.2-111.4 -19.6 37.5 36.9 -1.1 87 89 A A S S- 0 0 11 1,-0.1 423,-0.2 421,-0.0 3,-0.1 -0.513 70.9-139.0 -72.7 150.3 36.1 39.8 -3.2 88 90 A E S S- 0 0 11 421,-2.7 -36,-2.6 1,-0.3 2,-0.3 0.745 82.1 -4.8 -80.6 -24.0 37.4 43.2 -2.3 89 91 A A E S+Ei 51 510C 0 420,-0.9 422,-0.5 -38,-0.3 2,-0.3 -0.976 76.8 122.4-162.0 157.7 34.0 44.8 -2.8 90 92 A G E -E 50 0C 0 -40,-2.3 -40,-2.7 -2,-0.3 2,-0.4 -0.980 51.0 -83.6 175.3-164.4 30.5 43.8 -4.0 91 93 A N E +E 49 0C 15 -2,-0.3 2,-0.3 -42,-0.3 -42,-0.3 -0.992 50.0 143.2-135.2 127.5 26.8 43.5 -3.2 92 94 A A - 0 0 10 -44,-2.4 3,-0.1 -2,-0.4 -2,-0.1 -0.969 44.2-148.2-161.1 144.2 25.3 40.6 -1.4 93 95 A K S S+ 0 0 97 -2,-0.3 13,-2.1 1,-0.1 2,-0.3 0.519 90.2 11.2 -91.9 -3.6 22.6 40.0 1.2 94 96 A G E -K 105 0E 28 11,-0.3 2,-0.4 12,-0.1 11,-0.3 -0.972 65.5-132.1-162.8 167.6 24.5 37.1 2.6 95 97 A F E -K 104 0E 12 9,-2.5 9,-2.7 -2,-0.3 2,-0.5 -0.994 17.5-157.5-133.3 122.5 27.9 35.4 2.6 96 98 A V E -K 103 0E 97 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.872 18.6-126.3-106.2 132.5 28.3 31.6 2.2 97 99 A C > - 0 0 3 5,-3.0 4,-1.2 -2,-0.5 -13,-0.1 -0.607 10.9-147.7 -76.0 128.3 31.4 29.8 3.5 98 100 A G T 4 S+ 0 0 67 -2,-0.4 -1,-0.1 -15,-0.3 -14,-0.1 0.546 86.8 66.7 -75.5 -7.9 33.0 27.8 0.7 99 101 A Y T 4 S- 0 0 146 3,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.987 128.4 -12.5 -78.2 -66.7 34.3 25.1 3.1 100 102 A H T 4 S- 0 0 81 2,-0.1 -2,-0.1 14,-0.0 -1,-0.0 0.460 97.2-104.0-116.8 -6.6 31.1 23.4 4.4 101 103 A G < + 0 0 22 -4,-1.2 -3,-0.1 1,-0.2 2,-0.1 0.584 53.4 165.4 98.8 9.6 28.4 25.9 3.3 102 104 A W - 0 0 11 11,-0.1 -5,-3.0 -6,-0.1 2,-0.5 -0.405 26.3-146.4 -57.7 133.9 27.4 27.8 6.4 103 105 A G E -KL 96 112E 3 9,-3.0 8,-2.8 -7,-0.2 9,-2.1 -0.935 15.5-172.3-114.8 123.9 25.4 30.9 5.3 104 106 A Y E -KL 95 110E 2 -9,-2.7 -9,-2.5 -2,-0.5 6,-0.2 -0.829 21.1-122.9-109.7 149.9 25.5 34.2 7.1 105 107 A G E > -K 94 0E 1 4,-2.5 3,-2.0 -2,-0.3 -11,-0.3 -0.374 34.4-103.4 -78.7 166.4 23.4 37.3 6.5 106 108 A S T 3 S+ 0 0 7 -13,-2.1 -35,-0.2 1,-0.3 -12,-0.1 0.624 124.9 63.8 -63.4 -11.6 24.8 40.7 5.7 107 109 A N T 3 S- 0 0 37 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.233 121.0-109.7 -92.8 9.8 24.0 41.4 9.4 108 110 A G S < S+ 0 0 3 -3,-2.0 23,-2.7 1,-0.3 2,-0.1 0.301 71.7 141.6 82.8 -9.9 26.5 38.7 10.5 109 111 A E - 0 0 105 21,-0.2 -4,-2.5 1,-0.1 2,-0.8 -0.419 58.6-120.5 -68.1 137.7 23.8 36.2 11.7 110 112 A L E +L 104 0E 10 16,-0.6 -6,-0.3 -6,-0.2 19,-0.1 -0.687 44.4 164.2 -75.7 111.6 24.3 32.5 11.0 111 113 A Q E + 0 0 105 -8,-2.8 2,-0.4 -2,-0.8 -7,-0.2 0.793 53.0 30.1-102.8 -38.8 21.2 31.8 8.9 112 114 A S E -L 103 0E 61 -9,-2.1 -9,-3.0 14,-0.1 -1,-0.3 -0.989 50.7-177.9-135.6 137.8 21.7 28.5 7.2 113 115 A V > - 0 0 10 -2,-0.4 3,-1.9 -11,-0.2 4,-0.2 -0.969 31.7-123.6-133.4 112.0 23.6 25.4 8.1 114 116 A P T 3 S+ 0 0 58 0, 0.0 -12,-0.1 0, 0.0 -2,-0.0 -0.328 97.7 11.5 -57.9 138.4 23.7 22.5 5.7 115 117 A F T 3>>S+ 0 0 134 4,-0.1 4,-2.8 3,-0.1 5,-1.4 0.676 84.5 140.9 64.6 21.7 22.4 19.2 7.3 116 118 A E H <>>S+ 0 0 54 -3,-1.9 5,-3.1 3,-0.2 4,-0.8 0.952 74.5 37.6 -56.2 -52.2 21.1 21.2 10.3 117 119 A K H 45S+ 0 0 182 -4,-0.2 -1,-0.2 3,-0.2 5,-0.1 0.923 123.1 42.0 -66.1 -45.3 17.9 19.1 10.6 118 120 A E H 45S+ 0 0 136 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.835 133.5 9.8 -74.7 -37.0 19.5 15.8 9.7 119 121 A L H <5S+ 0 0 135 -4,-2.8 -3,-0.2 2,-0.1 -2,-0.1 0.729 128.2 40.5-121.2 -32.8 22.8 15.9 11.7 120 122 A Y T ><< + 0 0 74 -5,-1.4 3,-2.2 -4,-0.8 -3,-0.2 0.943 64.0 153.8 -85.3 -54.3 22.9 18.9 14.1 121 123 A G G > - 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0 0 28 -2,-0.2 -167,-0.3 -165,-0.1 5,-0.2 -0.897 57.6-155.7-157.6 133.3 55.1 76.4 10.6 403 405 A A S S+ 0 0 0 -169,-2.8 2,-1.0 -2,-0.3 -201,-0.9 0.600 98.9 70.8 -75.3 -15.7 54.0 73.5 8.4 404 406 A I B S+U 201 0G 22 -170,-0.6 2,-0.3 -202,-0.2 -1,-0.1 -0.892 90.4 92.0 -95.1 95.2 57.7 72.8 8.1 405 407 A G S S- 0 0 3 -2,-1.0 -203,-0.4 -205,-0.8 -202,-0.2 -0.979 77.4-122.4-177.9 167.8 57.9 71.7 11.7 406 408 A E S > S+ 0 0 25 -23,-2.1 4,-2.4 -2,-0.3 5,-0.2 0.222 70.6 112.8-123.6 16.9 57.7 68.8 14.1 407 409 A T H > S+ 0 0 4 -5,-0.2 4,-1.9 1,-0.2 5,-0.1 0.909 85.4 44.3 -46.0 -51.1 54.8 69.9 16.4 408 410 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.783 108.1 56.8 -76.9 -27.2 52.6 67.0 15.0 409 411 A Y H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 107.9 49.9 -59.8 -47.1 55.4 64.4 15.2 410 412 A R H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 113.5 44.5 -60.7 -44.1 55.8 65.2 18.9 411 413 A G H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.878 112.7 52.0 -67.3 -37.3 52.0 64.9 19.5 412 414 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 114.7 41.5 -62.5 -48.9 51.8 61.7 17.4 413 415 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.805 110.2 57.8 -74.8 -27.1 54.6 60.0 19.4 414 416 A R H X S+ 0 0 38 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.954 111.4 42.2 -61.9 -49.9 53.4 61.3 22.7 415 417 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 112.9 54.7 -63.6 -41.4 50.1 59.6 22.1 416 418 A Y H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.944 110.1 45.0 -54.9 -52.1 51.9 56.5 20.7 417 419 A Q H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.891 109.8 55.2 -62.8 -42.2 54.0 56.2 23.9 418 420 A A H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.914 111.8 45.4 -57.7 -42.3 51.0 56.7 26.2 419 421 A H H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.905 110.3 50.1 -68.5 -44.9 49.2 53.8 24.4 420 422 A I H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 113.0 49.1 -68.0 -22.9 52.1 51.3 24.4 421 423 A S T 3< S+ 0 0 61 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 0.429 104.6 78.5 -88.7 -2.0 52.6 52.0 28.2 422 424 A S < - 0 0 8 -3,-1.3 3,-0.1 -4,-0.2 4,-0.0 -0.827 60.2-157.1-116.5 148.4 48.9 51.5 28.9 423 425 A S S S- 0 0 98 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.616 79.1 -3.8 -92.6 -18.1 46.7 48.4 29.3 424 426 A N S > S- 0 0 53 1,-0.1 4,-2.0 -273,-0.0 5,-0.1 -0.928 83.6 -81.6-161.0 179.4 43.4 50.2 28.5 425 427 A W H > S+ 0 0 7 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.876 121.5 57.9 -64.6 -38.6 41.7 53.5 27.7 426 428 A A H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 108.7 46.2 -57.0 -45.6 41.5 54.5 31.4 427 429 A E H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 110.3 53.0 -66.2 -39.3 45.3 54.2 31.7 428 430 A F H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.942 108.7 50.6 -57.2 -48.1 45.8 56.1 28.5 429 431 A E H >< S+ 0 0 56 -4,-2.7 3,-1.1 1,-0.2 4,-0.4 0.915 110.0 49.4 -58.5 -44.1 43.6 58.9 29.8 430 432 A N H >< S+ 0 0 131 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.877 110.8 50.5 -60.4 -38.9 45.7 59.0 33.1 431 433 A A H 3< S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.568 114.3 45.7 -74.2 -8.6 48.9 59.1 31.0 432 434 A S T X< S+ 0 0 1 -3,-1.1 3,-1.9 -4,-0.7 -1,-0.2 0.272 72.9 113.2-120.6 8.2 47.5 62.0 29.0 433 435 A R T < S+ 0 0 203 -3,-0.8 3,-0.2 -4,-0.4 -2,-0.1 0.838 92.1 29.8 -52.6 -41.4 46.0 64.3 31.7 434 436 A N T 3 S+ 0 0 114 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.169 79.4 138.6-111.4 40.4 48.6 67.0 31.0 435 437 A W S < S+ 0 0 44 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.806 76.9 36.8 -56.9 -36.5 49.1 66.3 27.3 436 438 A H 0 0 61 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.809 360.0 360.0 -89.5 -30.8 49.2 70.0 26.2 437 439 A I 0 0 160 -3,-0.0 -2,-0.1 0, 0.0 -3,-0.1 0.863 360.0 360.0 -79.5 360.0 51.0 71.4 29.3 438 !* 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 0.0 439 1 B M 0 0 106 0, 0.0 2,-0.3 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 132.1 38.8 30.7 -34.9 440 2 B M - 0 0 136 21,-0.1 2,-0.4 17,-0.0 15,-0.1 -0.979 360.0-137.6-130.0 137.7 35.9 31.8 -32.7 441 3 B I - 0 0 46 -2,-0.3 2,-1.0 13,-0.2 3,-0.1 -0.837 13.2-138.7-100.1 133.0 35.2 31.2 -29.0 442 4 B N >> - 0 0 76 -2,-0.4 4,-2.9 1,-0.2 3,-0.7 -0.802 15.5-167.8 -91.6 101.2 31.7 30.3 -27.9 443 5 B T T 34 S+ 0 0 65 -2,-1.0 -1,-0.2 1,-0.2 6,-0.1 0.654 82.0 64.1 -70.6 -12.8 31.3 32.4 -24.8 444 6 B Q T 34 S+ 0 0 159 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.887 116.2 28.9 -72.2 -38.1 28.2 30.5 -23.7 445 7 B E T <4 S+ 0 0 128 -3,-0.7 2,-1.5 1,-0.2 -2,-0.2 0.818 114.0 65.0 -88.3 -37.0 30.2 27.3 -23.4 446 8 B D >< + 0 0 74 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 -0.669 69.6 178.0 -90.4 82.2 33.5 29.0 -22.4 447 9 B K T 3 S+ 0 0 182 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.1 0.628 70.2 53.8 -68.1 -17.8 32.2 30.4 -19.2 448 10 B L T 3 S+ 0 0 176 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.548 87.7 96.7 -93.2 -9.9 35.4 32.0 -18.0 449 11 B V < - 0 0 43 -3,-1.4 2,-0.1 -6,-0.1 -3,-0.1 -0.682 68.2-136.4 -91.3 129.1 36.0 34.1 -21.2 450 12 B S > - 0 0 52 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.479 19.8-122.0 -75.9 152.6 35.0 37.7 -21.4 451 13 B A H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 115.1 54.7 -59.3 -39.5 33.2 38.9 -24.5 452 14 B H H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 110.1 43.9 -57.4 -50.2 36.1 41.4 -24.8 453 15 B D H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 111.8 54.2 -67.4 -36.1 38.8 38.8 -24.7 454 16 B A H X S+ 0 0 12 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.933 111.3 43.8 -62.3 -48.9 36.9 36.5 -27.1 455 17 B E H X S+ 0 0 107 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 113.2 52.0 -60.1 -48.3 36.6 39.2 -29.8 456 18 B E H X S+ 0 0 10 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.893 106.5 53.3 -59.7 -42.5 40.1 40.3 -29.4 457 19 B F H X S+ 0 0 97 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.929 109.8 48.8 -57.1 -46.0 41.4 36.7 -29.8 458 20 B H H X S+ 0 0 54 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.925 107.4 56.0 -60.0 -44.8 39.5 36.5 -33.0 459 21 B R H X S+ 0 0 65 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.918 112.6 40.9 -49.4 -53.1 40.9 39.8 -34.2 460 22 B F H < S+ 0 0 26 -4,-2.0 -1,-0.2 2,-0.2 103,-0.2 0.701 111.8 56.8 -74.1 -24.6 44.5 38.6 -33.8 461 23 B F H >< S+ 0 0 111 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.975 115.0 35.2 -70.6 -54.6 43.8 35.2 -35.2 462 24 B V H 3< S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.703 112.2 63.4 -72.6 -20.0 42.5 36.4 -38.5 463 25 B G T 3< S+ 0 0 22 -4,-1.3 102,-0.4 -5,-0.3 -1,-0.2 0.414 71.6 133.8 -84.5 0.1 44.9 39.3 -38.6 464 26 B H < + 0 0 115 -3,-1.2 2,-0.3 -4,-0.2 100,-0.1 -0.279 24.2 168.0 -58.2 132.1 48.0 37.1 -38.7 465 27 B D > - 0 0 79 98,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.942 31.1-146.3-146.3 124.1 50.6 38.2 -41.3 466 28 B S H > S+ 0 0 71 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.890 101.1 48.2 -56.3 -46.6 54.1 36.8 -41.4 467 29 B D H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 113.2 48.1 -61.2 -44.7 55.7 40.1 -42.7 468 30 B L H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.890 107.3 56.3 -65.8 -38.6 53.9 42.1 -40.0 469 31 B Q H X S+ 0 0 36 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 110.1 44.7 -58.8 -46.9 54.9 39.7 -37.3 470 32 B Q H X S+ 0 0 132 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.923 114.3 49.8 -62.4 -44.4 58.6 40.2 -38.1 471 33 B E H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 114.0 43.1 -63.1 -45.6 58.2 44.0 -38.4 472 34 B V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.849 109.6 57.3 -72.8 -34.6 56.4 44.4 -35.1 473 35 B T H X S+ 0 0 56 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.946 109.8 45.7 -59.3 -45.1 58.8 42.0 -33.3 474 36 B T H X S+ 0 0 67 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.932 111.4 53.0 -62.0 -45.9 61.7 44.2 -34.4 475 37 B L H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.920 111.8 44.0 -54.1 -49.7 59.8 47.3 -33.3 476 38 B L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.818 112.0 52.9 -72.1 -31.5 59.1 46.0 -29.8 477 39 B T H X S+ 0 0 82 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.937 111.5 46.5 -67.2 -44.1 62.7 44.7 -29.4 478 40 B R H X S+ 0 0 165 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.932 112.5 50.3 -60.0 -45.5 64.0 48.1 -30.3 479 41 B E H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.929 112.1 47.2 -60.6 -43.6 61.6 49.8 -28.0 480 42 B A H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.874 110.7 51.3 -68.2 -38.9 62.6 47.6 -25.1 481 43 B H H X S+ 0 0 119 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.940 109.4 51.3 -59.4 -47.6 66.3 48.0 -25.7 482 44 B L H <>S+ 0 0 33 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.906 113.1 44.9 -58.5 -44.3 65.9 51.8 -25.7 483 45 B L H ><5S+ 0 0 1 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.892 107.9 58.2 -67.0 -38.0 64.0 51.6 -22.4 484 46 B D H 3<5S+ 0 0 34 -4,-2.5 70,-0.6 1,-0.3 -2,-0.2 0.846 107.1 46.8 -63.3 -34.1 66.5 49.2 -20.9 485 47 B I T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.397 117.7-117.1 -89.5 5.4 69.4 51.7 -21.5 486 48 B Q T < 5 + 0 0 36 -3,-1.5 2,-1.9 1,-0.2 3,-0.3 0.749 60.6 153.0 70.7 31.6 67.1 54.4 -20.0 487 49 B A >< + 0 0 28 -5,-2.4 4,-2.1 1,-0.2 -1,-0.2 -0.466 10.8 156.6 -87.4 63.4 67.0 56.5 -23.1 488 50 B Y H > + 0 0 10 -2,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.792 66.5 52.3 -64.0 -33.8 63.6 57.9 -22.0 489 51 B K H > S+ 0 0 99 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 110.6 47.4 -67.7 -44.2 63.8 61.1 -24.1 490 52 B A H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.892 113.0 50.5 -62.9 -39.1 64.5 59.2 -27.3 491 53 B W H X>S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.7 0.964 112.6 45.1 -62.4 -50.4 61.7 56.8 -26.5 492 54 B L H <5S+ 0 0 7 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.887 120.0 41.0 -63.9 -38.3 59.2 59.6 -25.9 493 55 B E H <5S+ 0 0 117 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.934 129.1 24.0 -74.3 -43.2 60.3 61.5 -29.0 494 56 B H H <5S+ 0 0 109 -4,-2.7 115,-0.3 -5,-0.2 -3,-0.2 0.693 130.0 34.5-103.0 -24.2 60.7 58.7 -31.5 495 57 B F T <5S+ 0 0 32 -4,-2.4 116,-3.2 -5,-0.5 2,-0.4 0.520 105.7 68.7-108.3 -9.5 58.5 55.9 -30.3 496 58 B V E - 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