==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-02 1LG9 . COMPND 2 MOLECULE: P450 MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR O.PYLYPENKO,K.ZERBE,F.VITALI,W.ZHANG,J.W.VRIJBLOED, . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.5 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 . 2 0.5 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 . 15 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 3 2 0 0 0 1 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 5 A D 0 0 108 0, 0.0 7,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 120.1 24.2 -17.4 56.1 2 6 A P + 0 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.559 360.0 105.0 -90.8 -6.7 25.2 -18.5 52.5 3 7 A R S S- 0 0 74 1,-0.1 5,-0.1 2,-0.1 26,-0.0 -0.370 85.1 -89.9 -73.1 151.2 25.1 -14.8 51.3 4 8 A P > - 0 0 46 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.158 39.4-112.4 -55.1 151.1 28.3 -12.8 50.6 5 9 A L G > S+ 0 0 50 1,-0.2 3,-1.2 2,-0.2 10,-0.3 0.841 112.4 60.9 -59.1 -32.0 29.5 -10.9 53.6 6 10 A H G 3 S+ 0 0 19 1,-0.2 -1,-0.2 8,-0.1 288,-0.1 0.678 98.7 57.7 -74.9 -10.0 28.8 -7.5 52.0 7 11 A I G < S+ 0 0 40 -3,-1.3 2,-0.3 7,-0.0 -1,-0.2 0.556 85.7 107.8 -91.6 -12.2 25.0 -8.2 51.8 8 12 A R < + 0 0 36 -3,-1.2 7,-2.3 -4,-0.5 2,-0.3 -0.520 40.0 173.4 -81.6 131.0 24.6 -8.9 55.5 9 13 A R E -A 14 0A 25 -2,-0.3 2,-0.4 5,-0.3 3,-0.1 -0.869 22.6-154.6-125.2 160.4 22.9 -6.6 58.0 10 14 A Q E > S-A 13 0A 95 3,-3.0 3,-1.8 -2,-0.3 2,-0.2 -0.907 73.4 -52.8-134.2 97.5 22.0 -7.0 61.7 11 15 A G T 3 S- 0 0 31 -2,-0.4 4,-0.0 1,-0.3 -1,-0.0 -0.527 122.9 -19.3 67.0-132.4 19.0 -4.8 62.3 12 16 A L T 3 S+ 0 0 7 -2,-0.2 -1,-0.3 -3,-0.1 219,-0.0 0.540 126.9 79.7 -83.8 -7.8 20.0 -1.2 61.0 13 17 A D E < S-A 10 0A 46 -3,-1.8 -3,-3.0 1,-0.1 3,-0.1 -0.583 89.8 -93.3-103.1 161.4 23.8 -2.0 61.1 14 18 A P E -A 9 0A 3 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.327 59.4 -94.0 -55.6 147.7 26.3 -3.8 59.0 15 19 A A > - 0 0 4 -7,-2.3 4,-2.4 -10,-0.3 5,-0.2 -0.439 30.6-118.5 -67.8 151.5 26.6 -7.4 60.2 16 20 A D H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.842 113.9 53.6 -56.6 -38.0 29.4 -8.1 62.7 17 21 A E H > S+ 0 0 80 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.942 109.7 48.0 -65.9 -42.9 31.3 -10.4 60.4 18 22 A L H >4 S+ 0 0 0 1,-0.2 3,-1.1 -13,-0.2 -2,-0.2 0.930 112.8 49.3 -60.3 -43.8 31.2 -7.8 57.6 19 23 A L H 3< S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 110.3 50.8 -67.4 -26.4 32.5 -5.2 60.1 20 24 A A H 3< S+ 0 0 84 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.449 88.3 103.6 -92.8 -1.2 35.3 -7.4 61.4 21 25 A A S << S- 0 0 28 -3,-1.1 -3,-0.0 -4,-0.5 21,-0.0 -0.252 82.9 -80.7 -74.9 170.9 36.7 -8.3 57.9 22 26 A G - 0 0 31 1,-0.1 3,-0.3 19,-0.0 20,-0.3 -0.256 35.4-107.7 -70.6 161.9 39.9 -6.7 56.7 23 27 A A S S+ 0 0 44 1,-0.3 19,-1.9 19,-0.2 20,-1.2 0.814 111.2 4.1 -53.4 -35.7 40.2 -3.3 55.1 24 28 A L E S+B 41 0B 6 17,-0.2 -1,-0.3 18,-0.1 2,-0.3 -0.870 85.8 146.8-156.1 120.2 40.7 -5.2 51.8 25 29 A T E -B 40 0B 43 15,-1.8 15,-2.9 -3,-0.3 2,-0.2 -0.915 44.2 -91.2-150.0 170.9 40.5 -8.9 51.4 26 30 A R E +B 39 0B 123 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.639 39.0 170.4 -91.8 149.0 39.6 -11.7 48.9 27 31 A V E -B 38 0B 33 11,-2.2 11,-2.5 -2,-0.2 2,-0.4 -0.953 23.0-141.1-147.7 160.3 36.1 -13.3 48.7 28 32 A T E -B 37 0B 92 -2,-0.3 2,-0.6 9,-0.2 9,-0.3 -0.997 12.2-157.8-128.2 127.5 34.4 -15.6 46.3 29 33 A I E +B 36 0B 50 7,-2.4 7,-1.8 -2,-0.4 2,-0.1 -0.927 57.3 3.2-111.8 121.8 30.8 -15.2 45.4 30 34 A G S S- 0 0 54 -2,-0.6 2,-0.3 5,-0.2 6,-0.1 -0.238 75.4 -97.3 99.8 170.7 28.8 -18.2 44.0 31 35 A S >> - 0 0 97 4,-0.1 3,-2.8 -2,-0.1 4,-0.7 -0.767 64.8 -3.7-131.5 175.3 29.7 -21.8 43.5 32 36 A G T 34 S- 0 0 67 1,-0.3 3,-0.2 -2,-0.3 0, 0.0 -0.247 129.9 -7.5 53.6-124.2 30.8 -24.5 41.1 33 37 A A T 34 S+ 0 0 112 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.395 140.9 55.0 -82.3 1.3 31.1 -23.1 37.6 34 38 A D T <4 S+ 0 0 130 -3,-2.8 -2,-0.2 2,-0.0 -1,-0.2 0.706 77.2 118.9-101.7 -32.0 29.6 -19.8 38.7 35 39 A A < - 0 0 41 -4,-0.7 2,-0.3 -3,-0.2 -5,-0.2 -0.049 40.6-177.6 -43.5 126.0 32.0 -19.1 41.6 36 40 A E E -B 29 0B 118 -7,-1.8 -7,-2.4 -6,-0.1 2,-0.4 -0.923 19.1-133.5-129.9 156.2 34.0 -15.8 41.2 37 41 A T E +B 28 0B 72 -2,-0.3 250,-0.4 -9,-0.3 2,-0.3 -0.870 28.3 162.6-112.2 143.1 36.7 -14.0 43.2 38 42 A H E -B 27 0B 19 -11,-2.5 -11,-2.2 -2,-0.4 2,-0.4 -0.938 38.6-113.6-147.1 163.3 36.8 -10.3 44.1 39 43 A W E -Bc 26 288B 11 248,-2.8 250,-2.8 -2,-0.3 2,-0.5 -0.843 29.2-151.3 -97.3 142.1 38.5 -8.1 46.4 40 44 A M E -Bc 25 289B 1 -15,-2.9 -15,-1.8 -2,-0.4 2,-0.5 -0.978 5.1-159.2-120.6 122.6 36.1 -6.5 49.0 41 45 A A E +Bc 24 290B 0 248,-2.1 250,-3.1 -2,-0.5 -17,-0.2 -0.880 23.0 160.6 -99.3 126.8 37.0 -3.1 50.4 42 46 A T + 0 0 13 -19,-1.9 2,-0.3 -2,-0.5 -19,-0.2 0.508 45.2 97.6-120.9 -16.1 35.4 -2.2 53.8 43 47 A A S > S- 0 0 16 -20,-1.2 4,-2.6 1,-0.1 3,-0.4 -0.615 73.6-131.2 -81.5 137.6 37.8 0.6 55.0 44 48 A H H > S+ 0 0 29 251,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.926 106.5 47.0 -52.0 -50.3 36.6 4.2 54.3 45 49 A A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.827 112.9 50.0 -64.6 -29.8 40.0 5.3 52.9 46 50 A V H > S+ 0 0 13 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.918 110.2 48.1 -75.6 -42.5 40.2 2.3 50.6 47 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.920 112.8 50.2 -63.8 -43.6 36.7 2.7 49.2 48 52 A R H X S+ 0 0 107 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.923 112.1 47.3 -60.2 -40.9 37.5 6.4 48.6 49 53 A Q H X S+ 0 0 86 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.953 115.1 44.9 -65.2 -48.0 40.8 5.4 46.8 50 54 A V H < S+ 0 0 1 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.954 119.6 40.5 -59.2 -56.6 39.1 2.7 44.6 51 55 A M H < S+ 0 0 9 -4,-2.6 274,-0.3 1,-0.2 273,-0.3 0.788 117.3 48.6 -64.1 -33.4 36.0 4.8 43.7 52 56 A G H < S+ 0 0 29 -4,-2.2 2,-1.2 -5,-0.3 -1,-0.2 0.725 97.0 72.1 -84.2 -20.8 38.0 8.0 43.2 53 57 A D >X + 0 0 42 -4,-1.7 4,-2.4 -3,-0.3 3,-0.6 -0.629 49.3 159.4 -96.7 79.2 40.8 6.6 40.9 54 58 A H T 34 S+ 0 0 36 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.792 71.1 66.5 -71.1 -23.4 39.0 6.0 37.7 55 59 A Q T 34 S+ 0 0 121 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.885 117.1 28.4 -62.0 -31.2 42.3 6.0 35.8 56 60 A Q T <4 S+ 0 0 35 -3,-0.6 216,-2.5 1,-0.2 2,-0.5 0.717 123.5 46.3 -99.8 -26.5 43.0 2.8 37.8 57 61 A F E < -D 271 0B 2 -4,-2.4 214,-0.2 214,-0.2 -1,-0.2 -0.889 69.6-161.9-127.4 107.5 39.6 1.3 38.4 58 62 A S E -D 270 0B 15 212,-2.6 212,-3.3 -2,-0.5 14,-0.1 -0.425 15.5-154.9 -82.7 156.3 37.1 1.1 35.6 59 63 A T + 0 0 2 210,-0.2 -1,-0.1 -2,-0.1 12,-0.1 0.292 56.6 116.6-109.5 5.4 33.3 0.6 36.0 60 64 A R 0 0 91 1,-0.2 11,-0.1 210,-0.1 10,-0.1 -0.293 360.0 360.0 -73.9 162.8 32.7 -1.0 32.5 61 65 A R 0 0 269 9,-0.2 -1,-0.2 209,-0.0 9,-0.1 -0.148 360.0 360.0 78.8 360.0 31.4 -4.6 32.1 62 ! 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 63 83 A E 0 0 165 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.5 25.3 -2.6 25.9 64 84 A L > - 0 0 93 3,-0.1 3,-1.4 6,-0.1 6,-0.2 -0.786 360.0-146.7-143.5 95.0 23.0 -0.1 27.6 65 85 A V T 3 S+ 0 0 51 -2,-0.3 3,-0.1 1,-0.3 140,-0.0 -0.282 82.4 22.3 -63.4 147.3 23.0 3.4 26.2 66 86 A G T 3 S+ 0 0 3 1,-0.2 2,-1.3 142,-0.1 -1,-0.3 0.522 83.7 127.4 75.0 5.9 22.5 6.3 28.7 67 87 A N X - 0 0 12 -3,-1.4 3,-2.5 1,-0.2 -1,-0.2 -0.718 41.0-169.4 -97.0 88.9 23.6 4.2 31.7 68 88 A L G > S+ 0 0 21 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.778 80.1 64.3 -45.6 -33.8 26.3 6.5 33.1 69 89 A M G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 7,-0.0 0.722 93.6 63.5 -69.4 -18.1 27.6 3.9 35.5 70 90 A D G < S+ 0 0 35 -3,-2.5 2,-0.3 -6,-0.2 -1,-0.3 0.341 96.4 73.0 -85.9 4.1 28.7 1.8 32.5 71 91 A Y < - 0 0 29 -3,-1.7 -12,-0.1 -4,-0.2 0, 0.0 -0.853 60.3-151.3-125.2 161.8 31.2 4.3 31.3 72 92 A D >> - 0 0 3 -2,-0.3 4,-2.8 -14,-0.1 3,-0.5 -0.825 46.7 -55.9-120.0 157.9 34.6 5.7 32.2 73 93 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.0 0, 0.0 251,-0.0 -0.450 117.6 33.0 -62.0 149.6 36.0 9.1 31.5 74 94 A P T 3> S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 5,-0.2 -0.990 131.7 36.1 -77.4 -24.6 36.2 10.6 28.7 75 95 A E H <> S+ 0 0 75 -3,-0.5 4,-2.0 1,-0.2 3,-0.3 0.949 120.8 49.8 -57.9 -46.4 33.0 8.9 27.4 76 96 A H H X S+ 0 0 2 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.921 106.3 56.9 -55.2 -45.4 31.4 9.1 30.9 77 97 A T H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.842 108.4 45.3 -55.6 -41.8 32.3 12.8 31.2 78 98 A R H X S+ 0 0 148 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.908 114.5 46.8 -69.5 -47.4 30.5 13.8 28.0 79 99 A L H X S+ 0 0 17 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.935 113.1 48.9 -63.6 -46.4 27.4 11.8 28.7 80 100 A R H X S+ 0 0 57 -4,-3.2 4,-2.0 -5,-0.2 3,-0.2 0.929 109.6 52.4 -63.4 -39.4 27.1 13.0 32.3 81 101 A R H < S+ 0 0 148 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.921 107.3 53.5 -61.4 -38.7 27.5 16.6 31.2 82 102 A K H < S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.8 40.4 -63.8 -38.6 24.7 16.1 28.7 83 103 A L H >< S+ 0 0 4 -4,-1.8 3,-2.0 -3,-0.2 -1,-0.2 0.698 92.6 88.3 -84.9 -18.6 22.3 14.8 31.4 84 104 A T G >< S+ 0 0 53 -4,-2.0 3,-2.4 1,-0.3 4,-0.3 0.795 70.7 72.5 -52.8 -32.3 23.3 17.4 34.1 85 105 A P G > S+ 0 0 14 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.765 92.6 56.8 -58.7 -22.5 20.9 20.1 33.1 86 106 A G G < S+ 0 0 2 -3,-2.0 -2,-0.2 1,-0.2 103,-0.1 0.524 110.3 44.7 -86.1 1.7 18.0 18.1 34.4 87 107 A F G < S+ 0 0 23 -3,-2.4 -1,-0.2 -4,-0.2 244,-0.2 0.166 75.3 137.2-126.8 14.7 19.5 17.9 37.9 88 108 A T <> - 0 0 55 -3,-0.5 4,-2.0 -4,-0.3 3,-0.2 -0.187 65.5-113.0 -62.9 159.1 20.8 21.4 38.8 89 109 A L H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 119.1 54.4 -62.2 -36.8 20.3 22.8 42.3 90 110 A R H > S+ 0 0 193 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 106.0 50.3 -64.7 -39.1 17.9 25.4 40.8 91 111 A K H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 110.3 52.6 -62.7 -36.3 15.8 22.7 39.1 92 112 A M H X S+ 0 0 8 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.934 107.1 50.6 -64.9 -43.4 15.7 20.9 42.5 93 113 A Q H >< S+ 0 0 133 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.929 109.1 52.3 -60.5 -40.1 14.5 24.2 44.1 94 114 A R H 3< S+ 0 0 71 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.879 107.2 53.8 -64.7 -31.8 11.8 24.4 41.4 95 115 A M H >X S+ 0 0 5 -4,-1.7 4,-2.2 1,-0.2 3,-0.7 0.732 83.6 88.0 -72.1 -21.7 10.7 20.8 42.2 96 116 A A H S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.871 113.8 49.0 -57.0 -38.7 6.5 22.5 45.7 98 118 A Y H <> S+ 0 0 99 -3,-0.7 4,-2.3 -4,-0.4 -2,-0.2 0.867 110.7 48.1 -69.2 -40.5 5.7 19.5 43.5 99 119 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.914 109.4 54.4 -71.8 -39.2 7.4 17.0 45.8 100 120 A E H X S+ 0 0 82 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.930 110.8 46.2 -57.0 -42.6 5.5 18.6 48.8 101 121 A Q H X S+ 0 0 102 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.914 111.3 51.5 -66.5 -42.0 2.1 18.0 47.0 102 122 A I H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.960 112.1 46.0 -59.8 -47.9 3.1 14.5 46.0 103 123 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.940 113.8 48.9 -62.1 -47.1 4.0 13.6 49.6 104 124 A N H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.846 107.5 54.6 -62.5 -33.8 0.8 15.2 51.0 105 125 A D H X S+ 0 0 44 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.913 112.0 44.3 -65.2 -41.7 -1.4 13.4 48.5 106 126 A R H X S+ 0 0 48 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.890 112.7 51.0 -69.8 -40.3 0.1 10.1 49.7 107 127 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.894 105.5 58.4 -63.9 -38.6 -0.2 11.1 53.4 108 128 A D H X S+ 0 0 56 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.872 105.7 48.6 -55.1 -42.7 -3.9 12.0 52.7 109 129 A E H X S+ 0 0 63 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.889 112.1 47.6 -67.9 -41.2 -4.6 8.5 51.5 110 130 A M H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.915 111.9 51.0 -63.3 -42.2 -3.0 7.0 54.5 111 131 A E H >< S+ 0 0 101 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.937 109.8 50.4 -62.0 -45.5 -4.9 9.4 56.8 112 132 A R H 3< S+ 0 0 207 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.845 105.4 55.8 -62.3 -31.2 -8.2 8.4 55.1 113 133 A A H 3< S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.738 107.8-139.7 -73.2 -20.7 -7.4 4.7 55.6 114 134 A G << - 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