==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-OCT-10 3PF7 . COMPND 2 MOLECULE: BENZOYL-COA OXYGENASE COMPONENT B; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOARCUS EVANSII; . AUTHOR T.WEINERT,L.J.RATHER,G.FUCHS,U.ERMLER . 947 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 4.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 26 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 1 1 2 2 2 0 4 2 0 2 0 0 2 0 0 0 1 2 2 0 0 0 0 1 2 0 2 RESIDUES PER ALPHA HELIX . 4 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 . 3 3 0 0 2 0 0 2 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 . 3 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 0 149 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 154.7 -22.3 2.0 -4.2 2 2 A I - 0 0 64 1,-0.1 3,-0.1 57,-0.1 61,-0.0 -0.378 360.0 -79.3 -72.4 156.5 -23.0 4.5 -1.4 3 3 A N - 0 0 133 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.290 49.3-105.6 -61.2 135.2 -24.7 3.1 1.7 4 4 A Y + 0 0 149 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.190 52.6 152.6 -49.8 152.3 -28.4 2.4 1.6 5 5 A S + 0 0 86 1,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.253 46.8 34.2-148.7 -74.0 -30.4 5.0 3.5 6 6 A E - 0 0 70 1,-0.1 -1,-0.4 48,-0.1 0, 0.0 -0.743 54.1-140.3-110.0 146.2 -34.0 5.8 2.5 7 7 A R S S+ 0 0 123 -2,-0.3 -1,-0.1 1,-0.3 67,-0.1 0.872 110.9 25.6 -58.3 -43.2 -36.8 3.7 1.1 8 8 A I S S- 0 0 6 65,-0.1 -1,-0.3 -3,-0.0 67,-0.2 -0.860 93.1-144.3-125.5 90.4 -37.7 6.7 -1.0 9 9 A P + 0 0 4 0, 0.0 67,-1.9 0, 0.0 2,-0.3 -0.262 38.0 147.4 -54.5 140.6 -34.5 8.7 -1.5 10 10 A N B -a 76 0A 17 44,-0.3 67,-0.2 65,-0.2 3,-0.2 -0.973 51.6-142.5-169.9 159.7 -35.3 12.4 -1.6 11 11 A N S S+ 0 0 51 65,-1.5 66,-0.1 -2,-0.3 44,-0.0 -0.036 85.2 84.1-121.3 30.8 -34.0 15.9 -0.7 12 12 A V S S- 0 0 27 64,-0.3 -1,-0.1 65,-0.0 65,-0.1 0.135 101.9-111.5-114.6 19.7 -37.4 17.3 0.4 13 13 A N > + 0 0 95 -3,-0.2 3,-1.1 1,-0.1 4,-0.5 0.929 51.5 170.7 47.8 50.9 -37.4 16.0 4.0 14 14 A L G > + 0 0 3 1,-0.3 3,-1.4 2,-0.2 7,-0.4 0.852 68.4 61.2 -58.3 -38.0 -40.3 13.7 3.1 15 15 A N G 3 S+ 0 0 98 1,-0.3 -1,-0.3 6,-0.1 3,-0.1 0.764 95.7 61.8 -64.0 -26.2 -40.0 11.9 6.5 16 16 A E G < S+ 0 0 139 -3,-1.1 2,-0.8 1,-0.2 -1,-0.3 0.665 94.6 65.2 -74.4 -16.8 -40.8 15.1 8.3 17 17 A N <> - 0 0 78 -3,-1.4 4,-2.9 -4,-0.5 3,-0.5 -0.746 65.2-179.7-109.5 84.7 -44.3 15.4 6.7 18 18 A K H > S+ 0 0 124 -2,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.850 78.5 51.4 -54.0 -42.5 -46.1 12.3 8.1 19 19 A T H > S+ 0 0 112 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.892 114.9 41.5 -65.4 -39.8 -49.3 13.0 6.2 20 20 A L H > S+ 0 0 12 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.915 112.9 52.6 -75.4 -43.7 -47.6 13.4 2.8 21 21 A Q H X S+ 0 0 53 -4,-2.9 4,-2.3 -7,-0.4 -2,-0.2 0.911 109.4 50.9 -60.4 -38.4 -45.2 10.5 3.3 22 22 A R H X S+ 0 0 154 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.841 107.8 52.6 -68.1 -32.4 -48.2 8.3 4.2 23 23 A A H X S+ 0 0 13 -4,-1.2 4,-1.5 -3,-0.2 -1,-0.2 0.915 110.9 46.0 -71.8 -41.8 -50.1 9.3 1.0 24 24 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.915 112.2 50.9 -64.8 -43.3 -47.1 8.4 -1.2 25 25 A E H < S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.4 52.6 -67.8 -27.1 -46.6 5.1 0.6 26 26 A Q H < S+ 0 0 143 -4,-1.5 4,-0.4 -5,-0.2 -1,-0.2 0.849 113.5 44.2 -71.2 -31.9 -50.2 4.3 0.1 27 27 A W H >X S+ 0 0 11 -4,-1.5 4,-1.9 1,-0.2 3,-0.7 0.784 96.8 79.5 -80.1 -28.7 -49.8 5.1 -3.7 28 28 A Q H 3X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.3 5,-0.2 0.844 88.7 50.0 -52.4 -48.2 -46.5 3.1 -4.0 29 29 A P H 3> S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.863 109.5 53.9 -65.5 -30.0 -47.9 -0.4 -4.2 30 30 A S H <> S+ 0 0 61 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.885 109.0 49.0 -63.9 -40.2 -50.3 0.8 -6.9 31 31 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.918 110.2 50.7 -63.8 -42.4 -47.2 2.1 -8.8 32 32 A L H X S+ 0 0 31 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.877 108.7 51.5 -65.1 -37.4 -45.4 -1.2 -8.3 33 33 A N H X S+ 0 0 97 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 110.6 48.6 -64.5 -40.5 -48.4 -3.1 -9.7 34 34 A W H X S+ 0 0 8 -4,-2.0 4,-3.4 1,-0.2 5,-0.5 0.928 110.5 51.7 -63.0 -43.5 -48.5 -0.8 -12.8 35 35 A W H X S+ 0 0 6 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.887 111.4 46.2 -62.6 -40.5 -44.7 -1.3 -13.3 36 36 A D H < S+ 0 0 75 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.894 120.0 41.0 -67.9 -39.2 -45.1 -5.1 -13.2 37 37 A D H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.931 133.8 16.6 -71.0 -49.6 -48.1 -5.0 -15.5 38 38 A M H < S+ 0 0 22 -4,-3.4 90,-0.2 -5,-0.2 -3,-0.2 0.409 104.4 98.6-114.6 -2.8 -47.0 -2.4 -18.1 39 39 A G S < S- 0 0 1 -4,-1.5 3,-0.1 -5,-0.5 4,-0.1 -0.050 93.8 -36.4 -77.8-176.2 -43.3 -2.2 -17.4 40 40 A P S > S- 0 0 6 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.191 79.2-107.3 -51.3 124.6 -40.5 -3.9 -19.4 41 41 A E T 3 S- 0 0 53 87,-2.6 -4,-0.1 1,-0.3 -3,-0.1 -0.192 90.9 -4.0 -61.5 140.1 -41.9 -7.3 -20.4 42 42 A N T 3 S+ 0 0 112 -6,-0.2 3,-0.3 1,-0.1 -1,-0.3 0.624 97.6 120.3 55.0 18.0 -40.7 -10.5 -18.7 43 43 A S X + 0 0 9 -3,-1.5 3,-1.7 1,-0.2 26,-0.4 0.416 28.8 110.3 -91.6 2.1 -38.2 -8.4 -16.8 44 44 A S T 3 S+ 0 0 79 1,-0.3 26,-0.3 -4,-0.1 -1,-0.2 0.865 86.7 32.4 -51.3 -46.0 -39.3 -9.2 -13.3 45 45 A N T 3 S+ 0 0 35 -3,-0.3 -1,-0.3 427,-0.1 2,-0.2 0.340 89.8 118.9 -99.1 12.8 -36.3 -11.3 -12.3 46 46 A Y < - 0 0 37 -3,-1.7 2,-0.6 428,-0.0 23,-0.5 -0.537 55.9-142.3 -75.7 137.1 -33.5 -9.5 -14.3 47 47 A D E -B 471 0B 33 424,-2.7 424,-2.9 -2,-0.2 2,-0.4 -0.903 26.9-167.2 -90.7 118.7 -30.6 -7.8 -12.5 48 48 A V E -BC 470 67B 0 19,-2.9 19,-1.7 -2,-0.6 2,-1.1 -0.916 26.3-125.8-115.0 135.0 -29.9 -4.7 -14.5 49 49 A Y E + C 0 66B 15 420,-2.6 2,-0.3 -2,-0.4 17,-0.3 -0.669 52.3 166.6 -76.0 100.4 -26.8 -2.4 -14.1 50 50 A L E - C 0 65B 1 15,-2.5 15,-2.0 -2,-1.1 2,-0.4 -0.825 40.0-123.8-123.4 153.9 -28.6 0.8 -13.5 51 51 A R E - C 0 64B 9 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.832 28.3-173.8 -91.8 134.8 -27.9 4.3 -12.3 52 52 A T E - C 0 63B 7 11,-2.1 11,-1.5 -2,-0.4 2,-0.5 -0.994 18.4-139.5-126.2 131.9 -29.9 5.5 -9.3 53 53 A A + 0 0 4 -2,-0.4 8,-0.3 9,-0.2 3,-0.1 -0.821 25.9 168.0 -83.8 131.5 -29.8 9.1 -7.9 54 54 A V S S+ 0 0 19 6,-2.2 -44,-0.3 -2,-0.5 2,-0.3 0.452 72.2 10.7-118.5 -8.6 -29.8 9.1 -4.1 55 55 A S S S- 0 0 25 5,-0.3 -1,-0.4 2,-0.2 22,-0.1 -0.954 79.4-109.8-159.3 165.9 -28.9 12.8 -3.7 56 56 A V S S+ 0 0 48 -2,-0.3 21,-0.0 4,-0.1 -45,-0.0 0.627 85.0 93.8 -81.4 -14.0 -28.7 15.8 -6.0 57 57 A D S > S- 0 0 20 1,-0.1 4,-2.4 4,-0.0 -2,-0.2 -0.316 92.0 -99.7 -75.0 161.8 -25.0 16.2 -6.0 58 58 A P H > S+ 0 0 107 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.844 120.9 47.2 -52.7 -42.8 -22.7 14.6 -8.7 59 59 A K H 4 S+ 0 0 145 1,-0.2 3,-0.3 2,-0.2 -57,-0.1 0.937 116.1 43.1 -67.6 -44.6 -21.6 11.7 -6.6 60 60 A G H >4 S+ 0 0 2 1,-0.2 -6,-2.2 2,-0.1 3,-0.6 0.797 109.8 59.3 -72.3 -25.2 -25.1 10.8 -5.3 61 61 A W H 3< S+ 0 0 64 -4,-2.4 2,-0.5 -8,-0.3 -1,-0.2 0.880 104.2 51.4 -66.8 -37.4 -26.5 11.3 -8.8 62 62 A A T 3< + 0 0 43 -4,-1.4 2,-1.2 -3,-0.3 -1,-0.2 -0.366 64.5 148.3-105.5 53.6 -24.3 8.6 -10.2 63 63 A D E < -C 52 0B 6 -11,-1.5 -11,-2.1 -3,-0.6 2,-0.3 -0.732 28.2-171.4 -86.6 95.2 -24.8 5.6 -8.0 64 64 A F E +C 51 0B 40 -2,-1.2 2,-0.3 -13,-0.2 -13,-0.2 -0.695 20.6 124.4 -91.1 144.7 -24.4 2.6 -10.4 65 65 A G E -C 50 0B 10 -15,-2.0 -15,-2.5 -2,-0.3 2,-0.2 -0.925 59.8 -79.3 176.9 158.6 -25.1 -1.0 -9.5 66 66 A Y E +C 49 0B 58 -17,-0.3 2,-0.3 -2,-0.3 -17,-0.2 -0.542 56.2 155.3 -69.3 136.2 -27.1 -4.2 -10.3 67 67 A V E -C 48 0B 33 -19,-1.7 -19,-2.9 -2,-0.2 2,-0.3 -0.986 46.8-112.4-158.3 148.6 -30.7 -4.1 -9.3 68 68 A K > - 0 0 54 -2,-0.3 3,-1.1 -21,-0.2 -21,-0.1 -0.698 33.3-127.9 -79.4 141.7 -34.0 -5.7 -10.2 69 69 A M G > S+ 0 0 1 -23,-0.5 3,-1.9 -26,-0.4 -1,-0.1 0.864 108.0 62.7 -67.7 -30.5 -36.2 -2.9 -11.6 70 70 A H G 3 S+ 0 0 70 -26,-0.3 -1,-0.3 1,-0.3 -34,-0.1 0.840 108.0 45.4 -57.4 -30.9 -39.1 -3.8 -9.2 71 71 A D G < S+ 0 0 97 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.273 81.3 137.6 -96.4 8.8 -36.6 -2.8 -6.4 72 72 A Y < - 0 0 11 -3,-1.9 2,-2.0 1,-0.1 -3,-0.1 -0.319 60.9-123.8 -56.0 132.3 -35.4 0.4 -8.1 73 73 A R - 0 0 46 -65,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.492 31.3-167.1 -83.1 74.9 -35.2 3.1 -5.5 74 74 A W + 0 0 9 -2,-2.0 2,-0.2 -67,-0.1 75,-0.1 -0.447 18.2 176.4 -57.9 129.4 -37.5 5.7 -7.2 75 75 A G - 0 0 1 -67,-0.2 2,-0.5 -2,-0.1 -65,-0.2 -0.699 32.6-112.2-135.0-176.3 -37.0 9.0 -5.4 76 76 A I B +a 10 0A 1 -67,-1.9 -65,-1.5 -2,-0.2 2,-0.4 -0.982 33.5 173.8-130.8 119.6 -37.9 12.7 -5.3 77 77 A F - 0 0 2 -2,-0.5 2,-0.4 -67,-0.2 158,-0.2 -0.974 10.2-172.0-139.4 118.4 -35.3 15.3 -6.1 78 78 A L - 0 0 3 -2,-0.4 154,-0.2 157,-0.1 3,-0.1 -0.858 37.2-103.8-107.4 140.5 -35.6 19.1 -6.5 79 79 A A - 0 0 18 152,-2.2 152,-0.1 -2,-0.4 155,-0.1 -0.307 62.4 -77.4 -52.7 146.4 -32.9 21.4 -7.7 80 80 A P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.220 52.1-111.5 -50.8 135.8 -31.5 23.2 -4.7 81 81 A Q - 0 0 110 -3,-0.1 2,-0.4 1,-0.0 -3,-0.0 -0.502 29.3-140.2 -72.9 137.7 -33.7 26.1 -3.4 82 82 A E > - 0 0 116 -2,-0.2 3,-0.8 1,-0.0 2,-0.1 -0.827 19.2-110.4-102.5 137.1 -32.2 29.6 -4.0 83 83 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.402 94.5 -2.7 -62.8 133.2 -32.5 32.4 -1.4 84 84 A E T 3 S- 0 0 159 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.883 81.6-178.7 55.8 50.5 -34.8 35.2 -2.5 85 85 A K < - 0 0 54 -3,-0.8 12,-2.2 12,-0.1 2,-0.3 -0.647 10.8-151.4 -83.3 139.2 -35.7 33.9 -5.9 86 86 A K B -D 96 0C 86 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.746 21.9-100.5-109.2 156.9 -38.0 36.2 -7.9 87 87 A I - 0 0 6 8,-3.0 7,-2.8 5,-0.4 137,-0.1 -0.567 32.3-160.1 -72.0 137.9 -40.6 35.6 -10.7 88 88 A T + 0 0 28 135,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.441 58.4 23.6-108.4 -0.1 -39.0 36.5 -14.0 89 89 A F S S+ 0 0 0 134,-0.1 3,-0.4 222,-0.1 240,-0.2 -0.981 88.7 27.4-159.4 161.0 -41.9 37.0 -16.4 90 90 A G S > S- 0 0 2 238,-2.8 3,-1.6 -2,-0.3 222,-0.2 -0.202 104.7 -32.8 81.2-171.4 -45.6 38.0 -16.7 91 91 A E T 3 S+ 0 0 121 221,-2.2 -1,-0.2 1,-0.3 222,-0.1 0.781 137.1 48.3 -53.3 -34.8 -47.8 40.1 -14.5 92 92 A H T > S+ 0 0 32 220,-0.5 3,-2.4 -3,-0.4 -5,-0.4 0.265 76.0 145.4 -99.7 7.9 -46.0 39.0 -11.3 93 93 A K T < + 0 0 92 -3,-1.6 -5,-0.2 1,-0.3 3,-0.1 -0.213 67.8 26.4 -47.6 130.8 -42.5 39.6 -12.5 94 94 A G T 3 S+ 0 0 48 -7,-2.8 -1,-0.3 1,-0.4 2,-0.1 0.110 97.4 111.3 99.8 -20.7 -40.3 40.9 -9.7 95 95 A Q S < S- 0 0 104 -3,-2.4 -8,-3.0 1,-0.1 -1,-0.4 -0.412 80.9 -82.4 -80.9 162.5 -42.3 39.3 -6.9 96 96 A D B -D 86 0C 100 -10,-0.2 -10,-0.2 -2,-0.1 -1,-0.1 -0.358 50.8-109.1 -60.2 138.3 -41.2 36.4 -4.7 97 97 A V - 0 0 18 -12,-2.2 2,-0.4 1,-0.1 129,-0.2 -0.259 40.3-103.5 -62.7 160.7 -41.6 33.0 -6.3 98 98 A W B -e 226 0D 39 127,-2.7 129,-2.2 1,-0.1 -1,-0.1 -0.724 27.6-174.1 -95.2 139.2 -44.4 30.8 -4.8 99 99 A Q S S+ 0 0 73 -2,-0.4 2,-0.3 128,-0.2 -1,-0.1 0.540 80.6 40.2 -99.2 -14.5 -43.8 27.9 -2.4 100 100 A E S S- 0 0 127 128,-0.0 127,-0.1 127,-0.0 64,-0.1 -0.909 97.9 -93.1-128.9 162.7 -47.5 27.0 -2.4 101 101 A V - 0 0 27 -2,-0.3 2,-0.2 63,-0.2 5,-0.1 -0.615 36.9-126.9 -79.5 120.4 -50.1 27.0 -5.1 102 102 A P >> - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.481 19.1-128.4 -61.9 130.1 -52.2 30.2 -5.4 103 103 A G G >4 S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.856 106.2 59.0 -51.7 -39.7 -55.9 29.4 -5.3 104 104 A E G 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.736 114.7 35.7 -65.3 -23.2 -56.6 31.3 -8.4 105 105 A Y G <> S+ 0 0 8 -3,-1.8 4,-2.9 1,-0.1 5,-0.3 0.284 86.3 106.4-108.6 7.4 -54.2 29.1 -10.5 106 106 A R H S+ 0 0 74 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.861 116.0 47.2 -72.2 -31.6 -56.8 24.2 -11.5 108 108 A T H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 113.0 47.0 -72.5 -48.7 -54.4 25.4 -14.2 109 109 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.893 112.0 52.8 -54.2 -43.3 -51.2 24.3 -12.4 110 110 A R H X S+ 0 0 50 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.932 109.4 48.6 -60.1 -43.1 -52.9 21.0 -11.7 111 111 A R H X S+ 0 0 109 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.888 111.8 48.6 -64.0 -42.1 -53.7 20.5 -15.3 112 112 A I H X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 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166 A G H 3> - 0 0 31 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 -0.074 69.1 -4.5 56.0-139.9 -54.7 17.5 -1.5 167 167 A R H 3> S+ 0 0 194 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 137.9 51.3 -58.2 -41.5 -57.5 15.0 -2.2 168 168 A D H <> S+ 0 0 53 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.879 107.3 56.1 -61.8 -38.5 -57.7 16.1 -5.9 169 169 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -8,-0.2 -7,-0.3 0.949 108.5 45.8 -56.7 -48.9 -54.0 15.6 -6.1 170 170 A R H X S+ 0 0 89 -4,-2.1 4,-1.8 -9,-0.2 -1,-0.2 0.867 110.2 53.3 -67.0 -34.6 -54.4 12.0 -4.9 171 171 A E H X S+ 0 0 120 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 108.7 50.2 -67.6 -35.6 -57.3 11.4 -7.3 172 172 A E H X S+ 0 0 44 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.879 107.7 54.2 -66.4 -37.1 -55.0 12.6 -10.1 173 173 A G H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.843 110.4 46.5 -65.1 -37.2 -52.2 10.2 -8.9 174 174 A E H >X S+ 0 0 102 -4,-1.8 3,-1.5 2,-0.2 4,-0.8 0.931 111.0 50.1 -67.0 -49.3 -54.7 7.3 -9.1 175 175 A A H 3X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.3 3,-0.3 0.798 100.0 66.3 -63.6 -26.9 -56.0 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157.8 -48.9 5.6 -30.9 196 196 A K - 0 0 172 -2,-0.1 -1,-0.1 -14,-0.0 -70,-0.1 -0.544 13.8-152.7 -74.7 151.1 -47.1 2.3 -31.1 197 197 A T + 0 0 10 -71,-0.6 -67,-0.1 -2,-0.2 6,-0.1 -0.816 28.2 174.3-119.2 85.2 -43.3 2.3 -30.8 198 198 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.566 50.0 11.1 -83.1 -14.0 -43.1 -0.9 -32.9 199 199 A D S > S- 0 0 4 -3,-0.1 4,-1.8 1,-0.0 -69,-0.1 -0.917 80.5 -94.6-153.2 174.1 -39.3 -1.4 -33.4 200 200 A W H > S+ 0 0 0 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.760 119.5 59.5 -69.1 -25.4 -35.9 -0.2 -32.2 201 201 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 108.2 45.6 -67.3 -44.7 -35.6 2.3 -35.0 202 202 A S H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.879 110.1 56.0 -60.2 -38.5 -38.8 4.0 -33.8 203 203 A F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.922 109.3 44.4 -60.7 -46.1 -37.4 3.8 -30.2 204 204 A F H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.896 115.2 48.3 -69.1 -38.5 -34.3 5.7 -31.1 205 205 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.5 0.926 110.9 51.6 -63.7 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4,-2.0 -8,-0.2 -1,-0.2 0.907 107.9 47.4 -57.6 -44.0 16.0 39.1 10.6 644 170 B R H X S+ 0 0 85 -4,-1.9 4,-2.0 -9,-0.2 -2,-0.2 0.898 109.7 52.9 -69.2 -37.8 17.2 35.6 9.8 645 171 B E H X S+ 0 0 103 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.904 109.5 49.2 -62.7 -39.5 17.8 34.8 13.5 646 172 B E H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 108.1 54.3 -64.3 -41.6 14.3 35.9 14.4 647 173 B G H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.882 111.9 44.3 -61.4 -39.1 12.9 33.7 11.6 648 174 B E H >X S+ 0 0 103 -4,-2.0 3,-1.8 1,-0.2 4,-0.5 0.931 111.3 52.4 -68.6 -45.4 14.7 30.7 13.1 649 175 B A H >X S+ 0 0 23 -4,-2.6 4,-1.7 1,-0.3 3,-1.2 0.834 97.2 68.3 -64.9 -27.5 13.7 31.5 16.6 650 176 B L H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.728 104.2 43.7 -60.5 -22.1 10.0 31.7 15.5 651 177 B L H <4 S+ 0 0 14 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.499 107.1 62.8 -98.2 -6.1 10.2 27.9 14.9 652 178 B E H << S+ 0 0 123 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.857 88.6 73.1 -87.1 -42.4 12.0 27.3 18.2 653 179 B R < - 0 0 40 -4,-1.7 2,-0.3 6,-0.1 9,-0.1 -0.354 65.1-165.7 -72.3 157.2 9.3 28.5 20.6 654 180 B R > - 0 0 69 6,-2.4 3,-2.5 3,-0.1 8,-0.2 -0.965 30.5 -94.2-153.2 130.8 6.3 26.3 21.1 655 181 B S T 3 S+ 0 0 29 -2,-0.3 13,-0.2 1,-0.3 5,-0.0 -0.112 107.5 0.1 -49.3 126.9 2.9 27.1 22.7 656 182 B G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 6,-0.1 12,-0.1 0.392 91.7 147.0 77.0 -3.2 2.8 26.0 26.4 657 183 B D < - 0 0 70 -3,-2.5 -1,-0.2 3,-0.3 -3,-0.1 -0.374 46.5-140.7 -66.2 144.2 6.4 24.8 26.4 658 184 B E S S+ 0 0 182 2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.940 96.6 36.1 -73.9 -47.0 8.3 25.3 29.7 659 185 B D S S+ 0 0 129 1,-0.2 -1,-0.1 -6,-0.0 -6,-0.1 0.856 136.1 14.7 -78.3 -36.7 11.8 26.2 28.3 660 186 B N S S+ 0 0 77 -6,-0.2 -6,-2.4 -8,-0.1 -3,-0.3 -0.496 78.1 174.6-140.1 68.0 10.6 28.3 25.3 661 187 B P - 0 0 55 0, 0.0 -6,-0.2 0, 0.0 7,-0.1 -0.174 43.2 -84.9 -69.6 168.0 6.9 29.2 25.4 662 188 B R - 0 0 4 -8,-0.2 -6,-0.1 5,-0.1 6,-0.1 -0.274 44.9-109.9 -67.2 162.4 5.2 31.5 22.8 663 189 B I S S+ 0 0 75 -74,-0.1 2,-0.4 -3,-0.1 -1,-0.1 0.895 94.2 57.3 -67.6 -42.6 5.6 35.2 23.6 664 190 B L S > S- 0 0 51 -75,-0.1 3,-1.4 1,-0.1 4,-0.3 -0.769 75.5-132.2-104.5 136.5 2.0 36.1 24.6 665 191 B T G >> S+ 0 0 111 -2,-0.4 3,-2.4 1,-0.3 4,-0.9 0.880 103.9 53.5 -47.4 -54.8 -0.1 34.5 27.4 666 192 B A G 34 S+ 0 0 8 1,-0.3 -1,-0.3 102,-0.2 3,-0.2 0.764 106.9 55.2 -57.2 -24.5 -3.3 33.9 25.4 667 193 B F G <4 S+ 0 0 12 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.412 103.9 53.7 -93.7 1.9 -1.3 32.0 22.8 668 194 B N T <4 S+ 0 0 41 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.477 88.3 101.6-103.1 -12.7 0.2 29.6 25.4 669 195 B E S < S- 0 0 77 -4,-0.9 2,-0.2 -3,-0.2 -14,-0.0 -0.275 82.1-103.4 -63.2 156.7 -3.2 28.6 26.8 670 196 B K - 0 0 176 -14,-0.0 -1,-0.1 1,-0.0 -69,-0.1 -0.548 14.9-152.1 -74.9 148.6 -4.7 25.3 25.7 671 197 B T + 0 0 9 -71,-0.6 -67,-0.1 -2,-0.2 6,-0.1 -0.790 30.2 174.0-114.0 80.1 -7.5 25.3 23.1 672 198 B P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.366 49.0 13.2 -84.8 -1.7 -8.9 22.1 24.6 673 199 B D S > S- 0 0 4 -3,-0.0 4,-1.9 1,-0.0 5,-0.1 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0.917 107.8 48.1 -66.0 -41.1 -15.6 36.3 49.2 892 418 B E H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.920 111.6 49.8 -68.9 -41.9 -18.2 37.2 46.5 893 419 B W H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.949 111.4 50.1 -57.3 -46.9 -15.7 36.3 43.7 894 420 B T H < S+ 0 0 85 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.918 117.9 39.0 -59.4 -40.6 -15.0 33.0 45.4 895 421 B H H < S+ 0 0 118 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.792 126.8 29.9 -81.6 -29.3 -18.7 32.2 45.7 896 422 B Q H >< S+ 0 0 77 -4,-2.5 3,-2.5 -5,-0.2 4,-0.3 0.644 90.2 85.8-109.3 -20.8 -20.0 33.5 42.4 897 423 B H G >X S+ 0 0 67 -4,-2.3 3,-2.3 -5,-0.3 4,-2.0 0.783 78.0 73.0 -63.4 -21.7 -17.3 33.2 39.7 898 424 B K G 34 S+ 0 0 99 -4,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.748 96.7 53.5 -58.7 -23.7 -18.3 29.6 39.0 899 425 B N G <4 S+ 0 0 86 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.531 114.1 40.2 -82.9 -8.7 -21.3 31.3 37.3 900 426 B W T <4 S+ 0 0 40 -3,-2.3 -2,-0.2 -4,-0.3 -137,-0.2 0.654 116.1 37.8-114.9 -25.5 -19.2 33.5 35.1 901 427 B L S < S- 0 0 15 -4,-2.0 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