==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-11 3RNA . COMPND 2 MOLECULE: TOLUENE O-XYLENE MONOOXYGENASE COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. OX1; . AUTHOR G.GUCINSKI,W.J.SONG,S.J.LIPPARD,M.H.SAZINSKY . 896 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 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 . 28 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 4.2 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 5 1 3 4 2 6 3 3 0 2 2 0 0 1 1 0 0 0 1 1 2 0 1 0 0 1 2 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A S 0 0 70 0, 0.0 2,-0.2 0, 0.0 589,-0.2 0.000 360.0 360.0 360.0 149.5 53.4 -82.2 -1.7 2 3 A M - 0 0 87 588,-0.1 2,-0.2 1,-0.1 581,-0.0 -0.641 360.0-114.5 -99.8 164.4 49.7 -81.7 -2.5 3 4 A L - 0 0 37 -2,-0.2 2,-0.4 1,-0.0 3,-0.1 -0.529 29.2-104.7 -91.0 165.3 47.8 -82.6 -5.7 4 5 A K >> - 0 0 130 -2,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.765 29.2-127.9 -89.7 134.8 46.2 -80.2 -8.1 5 6 A R H >> S+ 0 0 70 -2,-0.4 4,-2.6 1,-0.3 3,-1.6 0.903 106.3 63.9 -51.2 -45.7 42.4 -80.5 -7.6 6 7 A E H 34 S+ 0 0 118 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.850 97.2 58.8 -44.9 -43.6 41.9 -81.0 -11.4 7 8 A D H <4 S+ 0 0 79 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.729 120.0 21.0 -61.9 -29.3 43.9 -84.3 -11.2 8 9 A W H XX S+ 0 0 13 -3,-1.6 3,-1.4 -4,-0.7 4,-0.6 0.565 92.9 99.1-119.5 -15.3 41.7 -86.1 -8.6 9 10 A Y H >X S+ 0 0 8 -4,-2.6 3,-3.7 1,-0.2 4,-0.6 0.880 76.0 58.9 -37.1 -67.1 38.4 -84.3 -8.8 10 11 A D H 34 S+ 0 0 92 -4,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.669 96.4 63.6 -43.7 -29.3 36.5 -86.8 -11.1 11 12 A L H X4 S+ 0 0 13 -3,-1.4 3,-0.6 1,-0.2 -1,-0.3 0.730 91.6 64.2 -68.3 -22.1 37.0 -89.7 -8.6 12 13 A T H << S+ 0 0 6 -3,-3.7 -1,-0.2 -4,-0.6 -2,-0.2 0.897 112.1 36.6 -66.3 -35.6 34.9 -87.8 -6.0 13 14 A R T 3< S+ 0 0 32 -4,-0.6 2,-1.3 -3,-0.3 3,-0.4 0.172 86.4 100.3-103.8 15.9 32.0 -88.2 -8.5 14 15 A T < + 0 0 52 -3,-0.6 -1,-0.1 1,-0.2 -3,-0.1 -0.596 49.1 119.1 -93.6 74.2 32.8 -91.7 -9.8 15 16 A T + 0 0 0 -2,-1.3 -1,-0.2 603,-0.1 2,-0.1 0.479 31.8 110.4-124.3 -3.2 30.3 -93.2 -7.5 16 17 A N + 0 0 6 -3,-0.4 2,-0.3 24,-0.0 599,-0.0 -0.389 37.4 167.8 -70.3 145.4 27.7 -94.9 -9.7 17 18 A W - 0 0 8 -2,-0.1 -2,-0.0 598,-0.0 659,-0.0 -0.979 41.4 -95.6-152.6 164.2 27.4 -98.7 -9.8 18 19 A T - 0 0 73 -2,-0.3 5,-0.0 657,-0.1 -2,-0.0 -0.743 40.1-134.0 -88.2 110.1 25.0 -101.4 -11.1 19 20 A P + 0 0 16 0, 0.0 5,-0.2 0, 0.0 670,-0.1 -0.287 33.5 163.3 -57.0 151.0 22.6 -102.6 -8.3 20 21 A K + 0 0 134 3,-0.1 669,-0.1 668,-0.1 4,-0.0 0.531 69.5 52.2-136.7 -49.5 22.1 -106.3 -8.0 21 22 A Y S S+ 0 0 57 667,-0.1 2,-0.3 2,-0.1 668,-0.0 0.569 126.9 20.1 -82.0 -8.9 20.6 -107.2 -4.7 22 23 A V S S- 0 0 9 671,-0.0 2,-0.2 674,-0.0 671,-0.1 -0.816 96.4 -99.8-140.9 174.2 17.8 -104.6 -5.4 23 24 A T > - 0 0 76 -2,-0.3 4,-3.5 1,-0.1 3,-0.5 -0.648 27.8-110.2-104.0 159.3 16.8 -103.2 -8.8 24 25 A E H > S+ 0 0 69 1,-0.2 4,-3.5 -2,-0.2 -1,-0.1 0.899 121.0 47.9 -51.2 -42.6 17.7 -99.8 -10.3 25 26 A N H 4 S+ 0 0 113 2,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.751 111.1 49.5 -74.4 -28.2 14.0 -98.7 -9.9 26 27 A E H 4 S+ 0 0 92 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.949 116.7 42.8 -67.9 -49.8 13.9 -99.8 -6.3 27 28 A L H < S+ 0 0 1 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.921 129.4 27.2 -63.4 -44.0 17.2 -98.0 -5.7 28 29 A F S < S- 0 0 7 -4,-3.5 -1,-0.3 -5,-0.3 7,-0.2 -0.603 84.4-157.9-120.2 68.8 16.2 -94.9 -7.6 29 30 A P >> - 0 0 15 0, 0.0 4,-1.7 0, 0.0 3,-1.7 -0.189 17.4-132.7 -51.7 133.8 12.3 -94.7 -7.4 30 31 A E H 3> S+ 0 0 86 1,-0.3 4,-1.7 2,-0.2 6,-0.1 0.827 103.3 63.3 -63.9 -36.3 11.0 -92.6 -10.3 31 32 A E H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 508,-0.0 0.730 116.8 31.1 -59.6 -22.0 8.7 -90.5 -8.1 32 33 A M H <4 S+ 0 0 1 -3,-1.7 152,-3.0 151,-0.2 -2,-0.2 0.607 128.9 32.8-110.8 -18.6 11.9 -89.3 -6.3 33 34 A S H < S- 0 0 1 -4,-1.7 152,-2.1 150,-0.3 85,-0.2 0.800 77.6-153.9-100.6 -37.6 14.6 -89.2 -9.0 34 35 A G < + 0 0 0 -4,-1.7 -4,-0.1 -5,-0.3 -3,-0.1 0.959 27.3 165.0 54.0 57.3 12.7 -88.4 -12.1 35 36 A A > - 0 0 5 -7,-0.2 3,-1.1 150,-0.0 -1,-0.1 0.817 34.5-147.0 -69.2 -31.2 15.3 -90.1 -14.4 36 37 A R T 3 - 0 0 47 1,-0.3 3,-0.1 -6,-0.1 213,-0.1 0.815 62.0 -59.7 72.0 36.0 12.6 -89.9 -17.1 37 38 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.653 103.9 137.3 63.3 12.7 13.6 -93.1 -18.8 38 39 A I < - 0 0 13 -3,-1.1 -1,-0.3 1,-0.1 5,-0.0 -0.794 58.8-108.6 -85.5 134.1 17.1 -91.5 -19.4 39 40 A S > - 0 0 67 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.153 12.5-119.0 -68.3 152.7 19.8 -94.0 -18.6 40 41 A M H > S+ 0 0 15 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.936 117.8 50.8 -47.6 -46.8 22.2 -94.0 -15.6 41 42 A E H 4 S+ 0 0 154 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.832 106.3 51.9 -69.4 -32.8 25.0 -93.7 -18.1 42 43 A A H >4 S+ 0 0 25 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.846 107.1 55.5 -69.8 -32.7 23.5 -90.7 -20.0 43 44 A W H >< S+ 0 0 3 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.702 91.6 72.8 -68.2 -23.1 23.1 -89.0 -16.6 44 45 A E T 3< S+ 0 0 76 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.300 80.7 72.7 -77.5 9.6 26.8 -89.4 -16.0 45 46 A K T < + 0 0 179 -3,-1.0 -1,-0.3 194,-0.1 -2,-0.1 0.613 68.4 120.3 -93.5 -14.4 27.5 -86.7 -18.5 46 47 A Y < - 0 0 10 -3,-1.5 2,-0.4 -4,-0.1 75,-0.3 -0.316 42.0-179.6 -51.3 115.7 26.2 -84.2 -16.0 47 48 A D - 0 0 83 -2,-0.1 -1,-0.1 74,-0.1 -3,-0.0 -0.815 18.4-147.8-134.7 97.4 29.0 -81.8 -15.4 48 49 A E - 0 0 1 -2,-0.4 3,-0.1 1,-0.1 188,-0.1 -0.215 10.1-143.4 -61.0 141.3 28.6 -79.0 -12.9 49 50 A P S S+ 0 0 77 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.820 83.1 57.7 -83.4 -24.3 30.6 -76.0 -13.9 50 51 A Y S S- 0 0 146 181,-0.2 2,-0.3 182,-0.1 185,-0.1 -0.921 75.1-161.8-113.7 118.6 31.7 -74.8 -10.4 51 52 A K + 0 0 58 -2,-0.6 2,-0.3 -3,-0.1 181,-0.0 -0.656 15.1 168.6-107.8 141.8 33.6 -77.3 -8.5 52 53 A I - 0 0 17 -2,-0.3 2,-0.3 180,-0.1 76,-0.1 -0.995 17.1-150.7-150.9 145.8 34.5 -77.8 -4.8 53 54 A T >> - 0 0 5 -2,-0.3 4,-2.5 1,-0.1 3,-0.7 -0.874 35.3-104.4-114.9 151.9 35.9 -80.4 -2.5 54 55 A Y H 3> S+ 0 0 3 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.808 117.4 50.5 -39.9 -47.3 35.3 -80.9 1.3 55 56 A P H 3> S+ 0 0 17 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.930 113.4 47.1 -63.0 -42.2 38.5 -79.5 2.6 56 57 A E H <> S+ 0 0 64 -3,-0.7 4,-2.0 2,-0.2 5,-0.3 0.928 112.8 50.9 -60.0 -48.4 38.0 -76.4 0.5 57 58 A Y H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.977 111.2 43.7 -52.7 -65.0 34.4 -76.2 1.7 58 59 A V H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 518,-0.2 0.716 117.0 50.2 -58.5 -20.4 35.0 -76.4 5.5 59 60 A S H >X S+ 0 0 48 -4,-1.1 4,-1.9 -5,-0.3 3,-0.6 0.984 113.5 39.0 -81.4 -67.9 37.9 -74.0 5.2 60 61 A I H 3X S+ 0 0 80 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.913 118.8 48.9 -38.2 -59.9 36.3 -71.1 3.2 61 62 A Q H 3X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.711 103.8 59.8 -67.9 -23.1 32.9 -71.4 5.1 62 63 A R H < S+ 0 0 64 -4,-2.3 3,-1.7 1,-0.2 5,-0.4 0.660 94.0 90.3 -90.2 -20.2 27.9 -53.8 16.0 76 77 A E H >< S+ 0 0 89 -4,-1.9 3,-2.3 -5,-0.4 -1,-0.2 0.884 83.2 50.8 -46.3 -57.7 25.5 -55.4 18.4 77 78 A R T 3< S+ 0 0 249 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.571 99.6 65.8 -65.6 -10.0 25.9 -53.0 21.4 78 79 A D T < S- 0 0 95 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.493 92.5-149.0 -85.9 -5.0 25.3 -49.9 19.2 79 80 A G X + 0 0 11 -3,-2.3 3,-2.7 -4,-0.3 4,-0.4 0.695 26.6 173.3 33.7 45.4 21.7 -51.1 18.6 80 81 A F G >> + 0 0 42 -5,-0.4 3,-2.2 1,-0.3 4,-0.9 0.823 69.4 72.4 -44.0 -43.8 21.3 -49.7 15.1 81 82 A V G >4 S+ 0 0 19 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.800 89.9 62.5 -42.9 -33.8 17.9 -51.4 14.8 82 83 A D G <4 S+ 0 0 108 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.766 113.6 29.7 -70.2 -27.2 16.4 -48.8 17.3 83 84 A R G <4 S+ 0 0 151 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.257 92.6 119.9-118.7 10.5 17.0 -45.8 15.1 84 85 A A S << S- 0 0 12 -4,-0.9 131,-0.1 -3,-0.6 5,-0.0 -0.342 81.4 -84.2 -64.7 154.1 16.7 -47.4 11.7 85 86 A D > - 0 0 58 129,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.322 37.0-130.2 -49.6 138.7 14.0 -46.1 9.3 86 87 A P H > S+ 0 0 53 0, 0.0 4,-2.6 0, 0.0 258,-0.2 0.892 110.0 61.0 -69.1 -29.7 10.9 -48.0 10.3 87 88 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 193,-0.1 0.926 107.9 46.6 -51.0 -46.3 10.4 -48.9 6.6 88 89 A W H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 107.5 53.9 -59.7 -53.6 13.7 -50.7 7.0 89 90 A V H X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.921 109.0 50.9 -50.0 -44.4 12.8 -52.4 10.2 90 91 A S H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.940 104.4 56.4 -59.6 -48.7 9.8 -53.8 8.5 91 92 A T H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.3 -1,-0.2 0.890 110.5 46.2 -49.1 -47.8 11.8 -55.1 5.5 92 93 A M H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.934 110.8 50.0 -61.0 -46.1 13.9 -57.1 8.0 93 94 A Q H X S+ 0 0 12 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.857 114.4 46.5 -66.9 -32.5 10.9 -58.4 9.9 94 95 A L H X S+ 0 0 6 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.963 112.1 51.3 -62.2 -57.7 9.3 -59.5 6.6 95 96 A H H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.918 111.3 44.3 -48.0 -61.7 12.5 -61.1 5.3 96 97 A F H X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 5,-0.4 0.847 115.4 49.7 -53.9 -37.5 13.3 -63.3 8.3 97 98 A G H < S+ 0 0 1 -4,-1.0 4,-0.5 -5,-0.3 64,-0.3 0.987 115.7 41.2 -65.8 -53.0 9.7 -64.4 8.6 98 99 A A H < S+ 0 0 6 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.792 128.2 24.9 -66.5 -34.7 9.4 -65.4 5.0 99 100 A W H X S+ 0 0 15 -4,-2.5 4,-3.7 -5,-0.3 5,-0.3 0.784 93.8 80.7-106.3 -37.7 12.8 -67.0 4.5 100 101 A A H X S+ 0 0 1 -4,-1.5 4,-1.7 -5,-0.4 40,-0.1 0.901 107.2 31.5 -48.9 -56.4 14.4 -68.4 7.6 101 102 A L H > S+ 0 0 2 -4,-0.5 4,-2.8 -5,-0.4 -1,-0.3 0.800 117.7 55.2 -73.7 -28.0 12.5 -71.7 7.7 102 103 A E H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.890 107.6 51.7 -72.2 -34.1 12.1 -72.0 3.9 103 104 A E H X S+ 0 0 9 -4,-3.7 4,-0.8 2,-0.2 -2,-0.2 0.938 111.2 47.8 -59.7 -45.1 15.8 -71.7 3.7 104 105 A Y H >X S+ 0 0 2 -4,-1.7 3,-1.1 -5,-0.3 4,-0.6 0.909 110.7 50.0 -65.9 -39.6 16.0 -74.5 6.3 105 106 A A H >X S+ 0 0 8 -4,-2.8 4,-1.6 1,-0.3 3,-1.4 0.859 97.9 71.0 -65.4 -31.7 13.5 -76.6 4.4 106 107 A A H 3X S+ 0 0 5 -4,-2.1 4,-3.1 1,-0.3 -1,-0.3 0.859 86.5 64.3 -51.6 -33.8 15.6 -75.9 1.4 107 108 A S H > - 0 0 2 1,-0.2 4,-1.6 -75,-0.0 3,-0.8 -0.711 69.6-156.7 -77.3 106.3 24.0 -87.8 -11.9 120 121 A P H 3> S+ 0 0 9 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.771 90.5 58.1 -58.8 -32.7 26.8 -88.4 -9.3 121 122 A G H 3> S+ 0 0 1 -75,-0.3 4,-2.2 1,-0.2 5,-0.1 0.891 106.7 50.6 -65.6 -36.8 28.2 -84.9 -9.7 122 123 A N H <> S+ 0 0 2 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.869 104.3 56.7 -64.6 -41.1 24.8 -83.6 -8.7 123 124 A R H X S+ 0 0 1 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.912 110.4 45.1 -64.4 -36.4 24.6 -85.8 -5.6 124 125 A N H >X S+ 0 0 6 -4,-1.7 3,-1.7 2,-0.2 4,-1.6 0.980 111.8 49.1 -72.2 -51.2 27.8 -84.3 -4.3 125 126 A M H 3X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.828 108.8 55.7 -50.6 -37.5 27.0 -80.7 -5.1 126 127 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.3 0.635 100.7 59.0 -73.3 -18.9 23.6 -81.2 -3.3 127 128 A T H X S+ 0 0 5 -4,-3.4 4,-2.3 1,-0.2 3,-1.9 0.958 116.3 42.2 -55.5 -58.1 20.6 -71.3 11.0 139 140 A I H 3X S+ 0 0 2 -4,-4.1 4,-1.9 1,-0.3 -1,-0.2 0.854 107.8 61.0 -61.5 -34.5 22.2 -67.9 10.5 140 141 A Q H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 -5,-0.4 -40,-0.2 0.307 111.0 41.9 -82.1 11.3 18.9 -66.3 9.6 141 142 A L H <> S+ 0 0 1 -3,-1.9 4,-2.3 -41,-0.1 -2,-0.2 0.594 108.4 54.9-110.9 -54.3 17.6 -67.3 13.0 142 143 A Y H X S+ 0 0 64 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.820 109.4 53.7 -45.0 -32.3 20.6 -66.4 15.1 143 144 A F H >< S+ 0 0 14 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.2 0.986 110.0 39.1 -76.8 -60.0 20.4 -62.9 13.7 144 145 A P H >4 S+ 0 0 0 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.804 100.2 80.7 -57.1 -26.0 16.9 -61.8 14.3 145 146 A Y H >< S+ 0 0 36 -4,-2.3 3,-1.3 1,-0.3 4,-0.2 0.826 79.2 66.8 -55.8 -29.4 17.2 -63.6 17.7 146 147 A A T << S+ 0 0 28 -3,-1.5 -1,-0.3 -4,-0.6 3,-0.2 0.570 101.6 50.8 -61.6 -4.8 19.1 -60.5 19.0 147 148 A N T X> S+ 0 0 22 -3,-2.6 4,-1.2 1,-0.1 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336 A W H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.954 114.4 48.0 -63.6 -50.5 -1.1 -52.1 3.2 336 337 A Y H 3< S+ 0 0 0 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.856 121.7 38.2 -60.1 -32.9 -4.8 -52.0 3.1 337 338 A W T >< S+ 0 0 16 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.3 -0.154 81.9 140.1-104.3 34.7 -4.9 -55.4 4.9 338 339 A R G X + 0 0 1 -3,-2.1 3,-0.8 1,-0.3 140,-0.6 0.602 59.1 62.5 -63.1 -19.3 -1.9 -54.4 7.1 339 340 A P G 3 S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 140,-0.1 0.599 94.9 65.3 -83.6 -0.6 -3.1 -55.9 10.3 340 341 A T G < S+ 0 0 20 -3,-2.3 -173,-0.3 -6,-0.3 2,-0.2 0.450 96.3 65.9 -90.0 -3.1 -3.1 -59.4 8.6 341 342 A V S < S- 0 0 0 -3,-0.8 137,-1.7 2,-0.2 -247,-0.0 -0.709 81.8-127.2-116.1 170.5 0.7 -59.3 8.2 342 343 A W S S+ 0 0 3 -2,-0.2 2,-0.2 135,-0.2 -186,-0.1 0.241 85.8 57.0-110.3 10.9 3.4 -59.3 10.9 343 344 A W S S- 0 0 6 -5,-0.2 -2,-0.2 -189,-0.0 135,-0.1 -0.723 93.8 -98.4-123.9 176.7 5.5 -56.3 10.0 344 345 A D - 0 0 42 -2,-0.2 -254,-0.2 -258,-0.2 136,-0.2 -0.883 40.0-136.3-105.4 108.8 4.4 -52.6 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62.4 -45.9 -37.1 3.4 -39.3 9.5 486 487 A W G >4 S+ 0 0 24 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.592 90.0 70.3 -73.3 -10.9 3.2 -39.0 5.7 487 488 A V G X> S+ 0 0 15 -3,-2.5 3,-3.2 1,-0.2 4,-0.6 0.905 80.0 73.3 -70.6 -45.9 -0.4 -37.8 6.1 488 489 A K G X< S+ 0 0 145 -4,-0.6 3,-0.7 -3,-0.5 -1,-0.2 0.706 83.7 70.7 -32.6 -34.8 0.6 -34.4 7.7 489 490 A A G <4 S+ 0 0 67 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.505 104.7 38.5 -77.4 -4.4 1.7 -33.4 4.2 490 491 A Y G <4 0 0 67 -3,-3.2 -1,-0.3 1,-0.1 -2,-0.2 0.384 360.0 360.0-116.3 -6.7 -1.9 -33.2 3.1 491 492 A Q << 0 0 193 -3,-0.7 -1,-0.1 -4,-0.6 -4,-0.0 -0.851 360.0 360.0 116.0 360.0 -3.1 -31.7 6.5 492 !* 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 0.0 493 8 B A 0 0 118 0, 0.0 2,-0.5 0, 0.0 -18,-0.2 0.000 360.0 360.0 360.0 161.3 -1.1 -56.3 23.4 494 9 B L - 0 0 35 -20,-1.9 -342,-0.3 -21,-0.1 -21,-0.0 -0.688 360.0-131.3 -83.9 121.8 1.5 -59.1 23.1 495 10 B K - 0 0 161 -2,-0.5 2,-0.1 1,-0.1 -344,-0.1 -0.346 23.3-103.1 -68.1 144.9 4.7 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E H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.952 112.0 51.1 -58.0 -53.9 24.0 -106.4 -0.5 690 205 B L H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.3 -2,-0.2 0.948 116.9 39.7 -48.3 -52.3 23.7 -105.0 3.1 691 206 B I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.953 112.7 51.7 -73.0 -47.6 23.9 -101.5 1.8 692 207 B E H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.903 116.6 42.9 -53.8 -43.9 21.8 -101.8 -1.4 693 208 B K H >< S+ 0 0 73 -4,-2.3 3,-1.5 -5,-0.2 4,-0.4 0.920 112.1 52.6 -70.0 -45.7 19.0 -103.4 0.7 694 209 B A H >< S+ 0 0 2 -4,-2.9 3,-1.9 -5,-0.3 -1,-0.2 0.903 100.9 65.4 -51.2 -36.9 19.4 -100.9 3.6 695 210 B L T 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.568 100.0 47.7 -74.8 -9.2 19.1 -98.1 1.0 696 211 B I T < S+ 0 0 39 -3,-1.5 2,-0.9 -4,-0.3 -1,-0.3 0.309 76.3 112.0-110.1 4.4 15.5 -98.9 0.1 697 212 B A < - 0 0 12 -3,-1.9 9,-0.0 -4,-0.4 -3,-0.0 -0.700 47.2-178.2 -69.7 107.4 14.2 -99.2 3.7 698 213 B W + 0 0 32 -2,-0.9 -1,-0.2 4,-0.1 2,-0.1 0.741 44.4 100.5 -92.5 -23.8 12.1 -96.0 3.6 699 214 B D S > S- 0 0 18 1,-0.2 4,-3.3 -150,-0.1 5,-0.2 -0.427 72.6-136.1 -59.5 131.1 10.6 -95.8 7.1 700 215 B W H > S+ 0 0 1 -154,-2.7 4,-2.9 1,-0.2 5,-0.2 0.916 104.0 53.3 -62.1 -39.4 12.6 -93.2 8.9 701 216 B G H > S+ 0 0 0 -155,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.954 114.9 39.0 -53.7 -55.5 12.7 -95.5 11.9 702 217 B E H > S+ 0 0 26 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.887 112.8 55.7 -68.6 -40.2 14.1 -98.5 10.0 703 218 B A H X S+ 0 0 3 -4,-3.3 4,-3.2 1,-0.2 5,-0.5 0.958 108.3 49.7 -55.0 -47.9 16.4 -96.3 7.9 704 219 B F H X>S+ 0 0 2 -4,-2.9 4,-1.7 -5,-0.2 5,-0.9 0.899 117.2 40.1 -59.0 -44.5 18.0 -95.0 11.1 705 220 B T H X>S+ 0 0 0 -4,-2.0 5,-2.3 3,-0.2 4,-1.6 0.982 116.6 48.9 -63.2 -57.6 18.4 -98.5 12.5 706 221 B A H <>S+ 0 0 0 -4,-3.4 5,-2.6 3,-0.2 -2,-0.2 0.853 126.6 27.1 -50.3 -46.7 19.5 -100.1 9.2 707 222 B I H <>S+ 0 0 3 -4,-3.2 5,-3.1 -5,-0.3 -3,-0.2 0.958 132.6 28.5 -81.6 -59.7 22.0 -97.3 8.5 708 223 B N H <5S+ 0 0 4 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.805 128.7 30.8 -85.5 -30.1 23.1 -96.0 11.8 709 224 B L T < S+ 0 0 0 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.922 113.0 50.6 -61.9 -33.1 29.3 -100.0 12.9 714 229 B A H X S+ 0 0 1 -4,-1.2 4,-2.3 -3,-0.3 5,-0.3 0.950 113.7 42.1 -62.3 -50.3 29.9 -102.9 10.6 715 230 B V H X>S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.7 0.935 117.4 51.3 -57.4 -42.1 31.6 -100.7 7.9 716 231 B E H X>S+ 0 0 2 -4,-3.3 5,-1.9 -5,-0.3 4,-1.7 0.966 112.9 41.2 -64.6 -55.3 33.4 -98.8 10.7 717 232 B E H <>S+ 0 0 11 -4,-3.4 5,-3.0 -5,-0.3 -1,-0.2 0.904 124.2 39.2 -59.7 -40.4 34.8 -101.9 12.4 718 233 B A H <>S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.3 -2,-0.2 0.979 125.2 31.4 -74.9 -55.7 35.7 -103.6 9.1 719 234 B L H <5S+ 0 0 8 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.826 134.4 21.4 -78.3 -33.4 37.0 -100.8 7.0 720 235 B L T XS+ 0 0 0 -4,-4.6 5,-2.8 1,-0.2 -2,-0.2 0.914 113.9 44.2 -36.4 -58.2 47.5 -100.8 7.5 728 243 B Q H ><5S+ 0 0 134 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.929 112.8 45.9 -62.4 -57.3 49.7 -99.9 10.4 729 244 B S H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.706 110.8 60.5 -62.6 -15.3 51.4 -103.3 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740 255 B Q H X S+ 0 0 135 -4,-1.3 4,-1.0 -5,-0.3 -1,-0.2 0.862 107.9 53.0 -65.5 -36.0 41.8 -93.3 13.1 741 256 B A H X S+ 0 0 3 -4,-2.3 4,-0.6 -3,-0.4 3,-0.3 0.854 109.4 49.1 -61.5 -38.3 41.0 -89.7 12.1 742 257 B Q H >X S+ 0 0 4 -4,-1.7 4,-1.3 1,-0.2 3,-0.6 0.800 100.5 64.0 -76.7 -26.5 37.9 -90.9 10.3 743 258 B K H 3X S+ 0 0 21 -4,-1.5 4,-2.9 1,-0.3 5,-0.2 0.785 89.2 67.3 -72.0 -27.2 36.7 -93.0 13.3 744 259 B R H 3X S+ 0 0 136 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.3 0.932 102.2 49.3 -50.2 -45.8 36.5 -89.8 15.4 745 260 B D H < S+ 0 0 15 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.880 107.0 56.0 -61.5 -38.5 15.2 -91.0 23.9 760 275 B A H >< S+ 0 0 2 -4,-2.4 3,-1.9 1,-0.3 6,-0.3 0.900 98.1 62.3 -66.1 -39.2 13.1 -93.7 22.1 761 276 B L H 3< S+ 0 0 50 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.665 81.6 80.1 -58.8 -23.8 13.2 -96.0 25.2 762 277 B E T << S+ 0 0 147 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.3 0.773 92.0 64.1 -46.9 -25.8 11.3 -93.3 27.2 763 278 B K S X S- 0 0 69 -3,-1.9 3,-1.2 -4,-0.3 4,-0.5 -0.848 94.7-110.4-112.6 137.4 8.2 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