==== 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 28-SEP-07 2RFB . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: PICROPHILUS TORRIDUS; . AUTHOR W.W.HO,H.LI,T.L.POULOS,C.R.NISHIDA,P.R.ORTIZ DE MONTELLANO . 1006 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 703 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 7.4 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 . 7 0.7 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 0.1 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 . 55 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 392 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 7 1 5 2 0 3 0 7 4 0 0 2 0 3 4 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 9 7 5 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 2 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 12 A L 0 0 101 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 165.6 -3.0 38.7 -64.0 2 13 A N - 0 0 74 1,-0.1 13,-0.6 3,-0.0 12,-0.6 -0.580 360.0-118.5 -93.2 147.6 -0.9 41.8 -63.3 3 14 A D - 0 0 51 -2,-0.2 -1,-0.1 1,-0.1 9,-0.1 -0.344 64.9 -63.0 -65.8 164.2 2.4 42.4 -61.6 4 15 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.289 57.3-164.5 -61.7 132.5 2.1 44.6 -58.4 5 16 A V E -A 12 0A 10 7,-1.8 7,-3.3 -3,-0.1 2,-0.6 -0.913 12.5-138.3-117.8 150.4 0.9 48.1 -58.8 6 17 A H E +A 11 0A 53 -2,-0.4 342,-0.5 342,-0.4 2,-0.3 -0.927 42.7 127.7-108.3 116.6 1.0 51.1 -56.4 7 18 A Y E > +A 10 0A 33 3,-2.0 3,-1.3 -2,-0.6 340,-0.1 -0.955 59.5 25.6-158.1 160.7 -2.0 53.3 -56.1 8 19 A D T 3 S- 0 0 84 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.873 129.7 -58.2 52.5 43.2 -4.2 54.8 -53.3 9 20 A G T 3 S+ 0 0 50 1,-0.1 243,-0.7 -3,-0.0 2,-0.3 0.476 120.2 79.0 68.5 6.4 -1.4 54.4 -50.7 10 21 A A E < S-Ab 7 252A 1 -3,-1.3 -3,-2.0 241,-0.1 2,-0.3 -0.960 76.0-116.6-140.6 160.6 -0.9 50.6 -51.1 11 22 A W E -Ab 6 253A 23 241,-2.5 243,-3.0 -2,-0.3 2,-0.4 -0.727 30.3-144.1 -85.7 142.0 0.7 48.1 -53.4 12 23 A H E -Ab 5 254A 8 -7,-3.3 -7,-1.8 -2,-0.3 2,-0.5 -0.975 12.9-163.6-111.0 131.7 -1.8 45.8 -55.0 13 24 A V E + b 0 255A 0 241,-2.8 243,-2.8 -2,-0.4 247,-0.2 -0.966 21.6 156.1-123.4 121.6 -0.7 42.1 -55.5 14 25 A Y + 0 0 38 -12,-0.6 -1,-0.1 -2,-0.5 2,-0.1 0.725 38.9 93.5-118.7 -37.3 -2.6 39.9 -57.8 15 26 A K S > S- 0 0 43 -13,-0.6 4,-3.0 1,-0.1 3,-0.3 -0.448 73.3-125.1 -71.8 142.5 -0.5 37.0 -59.1 16 27 A Y H > S+ 0 0 2 244,-0.3 4,-2.5 1,-0.2 5,-0.2 0.915 109.5 48.9 -55.9 -49.9 -0.7 33.7 -57.2 17 28 A S H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 114.5 46.8 -62.6 -29.0 3.0 33.4 -56.6 18 29 A D H > S+ 0 0 19 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.900 110.3 50.6 -78.4 -41.6 3.2 37.0 -55.4 19 30 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.974 115.4 45.3 -55.7 -50.0 0.2 36.7 -53.1 20 31 A K H X S+ 0 0 71 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.862 110.0 53.3 -60.1 -42.8 1.9 33.5 -51.6 21 32 A H H X S+ 0 0 67 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.964 112.3 46.0 -57.6 -51.0 5.3 35.2 -51.4 22 33 A V H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 7,-0.3 0.977 116.9 42.0 -58.5 -56.5 3.8 38.0 -49.4 23 34 A L H 3< S+ 0 0 4 -4,-2.8 265,-0.4 1,-0.3 3,-0.3 0.836 113.5 52.4 -63.6 -34.1 1.7 35.8 -47.0 24 35 A M H 3< S+ 0 0 90 -4,-2.8 2,-0.6 -5,-0.2 -1,-0.3 0.663 100.1 67.0 -75.2 -14.5 4.5 33.2 -46.5 25 36 A N XX + 0 0 57 -3,-1.2 4,-3.6 -4,-1.1 3,-1.0 -0.507 56.9 157.7-108.6 64.5 6.9 36.1 -45.6 26 37 A D T 34 S+ 0 0 27 -2,-0.6 -1,-0.2 -3,-0.3 5,-0.1 0.787 73.0 54.6 -52.4 -38.1 5.3 37.2 -42.3 27 38 A K T 34 S+ 0 0 167 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.664 115.4 38.1 -70.9 -24.1 8.7 38.7 -41.0 28 39 A I T <4 S+ 0 0 35 -3,-1.0 209,-3.9 1,-0.3 210,-0.8 0.832 124.5 41.0 -89.3 -44.4 9.0 40.8 -44.2 29 40 A F E < S-C 236 0A 1 -4,-3.6 -1,-0.3 -7,-0.3 207,-0.2 -0.877 84.8-158.9-111.5 104.7 5.3 41.6 -44.4 30 41 A S E -C 235 0A 10 205,-2.9 205,-1.5 -2,-0.7 -3,-0.1 -0.241 20.0-131.7 -78.2 165.1 3.9 42.3 -41.0 31 42 A S S S+ 0 0 8 203,-0.2 15,-0.1 -5,-0.1 -1,-0.1 0.492 85.8 49.7 -99.4 -2.9 0.2 42.1 -39.8 32 43 A N S S- 0 0 62 1,-0.2 203,-0.1 203,-0.1 -2,-0.1 -0.992 80.1-117.7-134.8 150.1 -0.0 45.5 -38.0 33 44 A P - 0 0 45 0, 0.0 -1,-0.2 0, 0.0 202,-0.1 0.597 33.6 -99.1 -55.1-158.1 0.9 49.1 -39.0 34 45 A G S S- 0 0 88 216,-0.1 2,-0.0 2,-0.0 201,-0.0 0.414 101.9 -30.8 -99.1 -8.8 3.4 51.6 -37.6 35 46 A N S S- 0 0 129 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.154 108.7 -4.1-163.2-100.2 0.5 53.2 -35.8 36 47 A R + 0 0 171 1,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.965 61.1 114.0-137.0 117.9 -3.3 53.6 -36.6 37 48 A Y 0 0 86 -2,-0.4 -1,-0.1 -4,-0.0 913,-0.0 0.378 360.0 360.0-153.6 -20.0 -5.4 52.7 -39.7 38 49 A S 0 0 88 2,-0.1 -2,-0.0 195,-0.0 195,-0.0 0.279 360.0 360.0 23.6 360.0 -7.8 50.0 -38.4 39 ! 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 40 53 A G 0 0 77 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 114.9 -8.7 43.5 -37.1 41 54 A I > + 0 0 52 135,-0.1 3,-1.1 136,-0.1 5,-0.1 -0.853 360.0 7.3-128.6 170.9 -8.5 42.5 -33.3 42 55 A S G > S- 0 0 17 -2,-0.3 3,-1.3 1,-0.2 135,-0.1 -0.273 121.8 -13.4 55.6-141.8 -6.7 40.0 -31.1 43 56 A F G > S+ 0 0 11 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.595 118.4 78.6 -78.9 -8.4 -4.1 37.7 -32.6 44 57 A I G < S+ 0 0 83 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.813 98.7 45.1 -61.9 -29.7 -4.9 38.4 -36.3 45 58 A T G < S+ 0 0 45 -3,-1.3 2,-0.3 -4,-0.1 -1,-0.3 0.188 96.8 101.3-102.0 18.5 -3.0 41.6 -36.1 46 59 A M < - 0 0 27 -3,-1.4 2,-0.1 -5,-0.1 -5,-0.0 -0.813 68.9-117.9-108.5 146.1 0.0 40.2 -34.2 47 60 A D > - 0 0 53 -2,-0.3 4,-2.2 -17,-0.1 5,-0.2 -0.404 44.6 -78.5 -88.9 165.9 3.4 39.2 -35.6 48 61 A N H > S+ 0 0 48 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.428 118.3 38.5 -40.3 -48.1 4.9 35.9 -35.6 49 62 A P H >> S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 3,-1.0 0.991 122.8 36.2 -71.8 -69.5 6.2 35.3 -32.0 50 63 A E H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.839 116.6 60.1 -45.7 -33.0 3.5 36.9 -29.8 51 64 A H H 3X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.851 100.7 51.0 -68.4 -35.2 1.0 35.6 -32.4 52 65 A K H X S+ 0 0 7 -4,-1.7 3,-1.0 1,-0.2 4,-0.5 0.965 114.4 48.8 -64.8 -53.2 -2.0 33.5 -28.7 55 68 A R H >X S+ 0 0 53 -4,-3.1 4,-2.3 1,-0.2 3,-1.1 0.847 102.5 63.3 -59.6 -33.8 -3.0 31.0 -31.5 56 69 A D H 3< S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 87.6 71.6 -61.1 -31.9 -1.7 27.9 -29.5 57 70 A I H << S+ 0 0 12 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.887 119.4 15.2 -51.6 -39.6 -4.3 28.5 -26.8 58 71 A S H XX S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.5 4,-0.8 0.618 100.5 95.5-114.1 -18.1 -7.1 27.4 -29.2 59 72 A A H >X S+ 0 0 22 -4,-2.3 3,-1.9 1,-0.3 4,-0.7 0.885 82.2 55.1 -39.7 -57.1 -5.2 25.7 -32.0 60 73 A P H >4 S+ 0 0 55 0, 0.0 3,-0.7 0, 0.0 6,-0.3 0.843 105.0 54.4 -53.3 -30.5 -5.6 22.1 -30.6 61 74 A Y H <4 S+ 0 0 102 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.645 106.0 53.0 -82.2 -9.1 -9.4 22.5 -30.5 62 75 A F H << S+ 0 0 11 -3,-1.9 -1,-0.2 -4,-0.8 234,-0.2 0.443 77.0 120.5-101.2 -1.7 -9.6 23.5 -34.2 63 76 A L S XX S- 0 0 90 -3,-0.7 4,-2.4 -4,-0.7 3,-0.7 -0.345 80.1-113.8 -55.9 142.8 -7.7 20.4 -35.6 64 77 A P H 3> S+ 0 0 91 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.766 118.6 60.5 -55.5 -20.8 -9.8 18.5 -38.0 65 78 A S H 34 S+ 0 0 83 2,-0.2 4,-0.4 1,-0.1 -4,-0.1 0.944 109.4 35.2 -67.9 -52.5 -9.6 15.9 -35.4 66 79 A K H X4 S+ 0 0 99 -3,-0.7 3,-1.7 -6,-0.3 4,-0.2 0.934 114.3 57.7 -74.0 -44.5 -11.2 17.8 -32.5 67 80 A I H >< S+ 0 0 3 -4,-2.4 3,-3.1 1,-0.3 -1,-0.2 0.863 93.7 68.7 -45.8 -47.4 -13.7 19.7 -34.8 68 81 A N G >< S+ 0 0 85 -4,-1.4 3,-2.1 -5,-0.3 4,-0.3 0.727 81.4 72.7 -50.7 -29.0 -15.1 16.4 -36.0 69 82 A D G < S+ 0 0 125 -3,-1.7 -1,-0.3 -4,-0.4 4,-0.3 0.679 94.0 59.1 -57.5 -16.2 -16.6 15.7 -32.5 70 83 A Y G <> S+ 0 0 33 -3,-3.1 4,-2.3 -4,-0.2 -1,-0.3 0.398 75.2 100.3 -92.4 1.7 -19.1 18.5 -33.6 71 84 A K H <> S+ 0 0 81 -3,-2.1 4,-2.8 2,-0.2 5,-0.2 0.935 82.5 44.6 -55.4 -51.4 -20.3 16.6 -36.7 72 85 A D H > S+ 0 0 108 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.930 113.2 52.0 -64.1 -40.6 -23.6 15.3 -35.2 73 86 A F H > S+ 0 0 44 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.896 111.0 47.3 -58.1 -40.3 -24.4 18.7 -33.7 74 87 A I H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.926 112.8 48.8 -71.3 -41.8 -23.8 20.4 -37.1 75 88 A E H X S+ 0 0 79 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.937 113.0 47.7 -56.0 -52.7 -26.0 17.8 -38.9 76 89 A E H X S+ 0 0 115 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.963 116.6 44.0 -53.0 -53.3 -28.7 18.3 -36.2 77 90 A T H X S+ 0 0 9 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.944 113.3 48.9 -60.1 -48.7 -28.5 22.0 -36.5 78 91 A S H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.916 112.8 49.4 -61.0 -38.0 -28.4 22.2 -40.3 79 92 A N H X S+ 0 0 80 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.916 106.2 55.1 -69.7 -42.4 -31.3 19.9 -40.5 80 93 A D H < S+ 0 0 89 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.879 115.0 39.9 -53.6 -42.6 -33.4 21.9 -38.0 81 94 A L H < S+ 0 0 18 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.710 114.9 49.1 -82.6 -29.3 -33.0 25.1 -40.1 82 95 A I H >< S+ 0 0 2 -4,-1.8 3,-1.1 -5,-0.2 4,-0.3 0.690 89.4 88.4 -80.0 -22.1 -33.3 23.6 -43.6 83 96 A K T 3< S+ 0 0 131 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.727 106.8 12.0 -44.6 -37.2 -36.5 21.7 -42.7 84 97 A N T 3 S+ 0 0 102 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.486 88.0 116.3-151.6 53.5 -38.9 24.5 -43.5 85 98 A I X + 0 0 2 -3,-1.1 3,-2.4 3,-0.1 -2,-0.1 0.642 36.2 132.2-106.5 -21.7 -36.9 27.1 -45.4 86 99 A D T 3 S+ 0 0 77 -4,-0.3 3,-0.1 1,-0.3 226,-0.0 0.075 77.3 9.8 -39.2 136.4 -38.8 26.9 -48.7 87 100 A N T 3 S+ 0 0 161 1,-0.2 -1,-0.3 251,-0.1 2,-0.1 0.327 109.5 107.2 77.6 -5.2 -39.8 30.2 -50.1 88 101 A K S < S- 0 0 104 -3,-2.4 2,-0.7 1,-0.1 250,-0.5 -0.416 85.8 -79.1-101.2 174.1 -37.7 32.1 -47.6 89 102 A D > - 0 0 16 1,-0.2 4,-2.0 -2,-0.1 5,-0.3 -0.651 37.3-159.1 -73.8 112.8 -34.4 34.0 -47.6 90 103 A I H >>S+ 0 0 3 246,-2.7 5,-3.3 -2,-0.7 4,-0.9 0.744 86.4 53.7 -69.1 -28.5 -31.8 31.3 -47.6 91 104 A I H 4>S+ 0 0 9 245,-0.4 5,-2.9 3,-0.2 6,-0.5 0.982 116.2 32.6 -70.4 -62.9 -29.2 33.8 -46.3 92 105 A S H 45S+ 0 0 46 1,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.793 127.2 39.9 -71.0 -22.2 -30.9 35.1 -43.2 93 106 A E H <5S+ 0 0 63 -4,-2.0 -1,-0.2 3,-0.1 -3,-0.2 0.576 136.6 4.4-102.8 -13.7 -32.9 31.9 -42.4 94 107 A Y T X5S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.4 -3,-0.2 0.534 126.1 48.1-131.6 -57.0 -30.3 29.3 -43.0 95 108 A A T 4 S+ 0 0 95 -6,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.788 100.7 61.3 -81.0 -26.3 -28.0 31.1 -38.5 98 111 A L H >X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 3,-0.7 0.985 105.8 41.7 -67.3 -60.8 -26.0 28.0 -39.0 99 112 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.843 113.0 55.8 -59.6 -31.8 -22.4 29.3 -38.3 100 113 A V H 3X S+ 0 0 10 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.827 109.0 46.0 -72.4 -30.7 -23.7 31.3 -35.3 101 114 A N H S+ 0 0 2 -4,-1.3 5,-2.4 -5,-0.2 4,-1.7 0.856 109.1 50.9 -62.6 -31.0 -21.8 29.3 -29.7 105 118 A K H <5S+ 0 0 88 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.953 112.6 44.7 -69.4 -48.8 -21.6 25.5 -29.1 106 119 A I H <5S+ 0 0 3 -4,-2.3 49,-2.2 1,-0.2 -2,-0.2 0.903 113.5 51.3 -59.5 -43.4 -17.8 25.5 -29.6 107 120 A L H <5S- 0 0 0 -4,-3.3 49,-3.0 47,-0.2 50,-0.4 0.890 112.5-119.8 -60.8 -35.7 -17.4 28.6 -27.4 108 121 A G T <5 + 0 0 16 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.615 47.6 169.6 98.4 21.8 -19.5 27.1 -24.6 109 122 A I < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.2 5,-0.1 -0.538 38.4-113.5 -67.5 124.9 -22.3 29.7 -24.6 110 123 A P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.195 15.9-116.2 -54.7 147.8 -25.0 28.3 -22.3 111 124 A D G > S+ 0 0 149 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 0.928 115.5 55.8 -43.0 -56.9 -28.4 27.3 -23.7 112 125 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.495 108.1 49.0 -63.0 -3.3 -30.1 30.1 -21.6 113 126 A D G <> S+ 0 0 18 -3,-1.8 4,-2.8 2,-0.1 -1,-0.3 0.373 81.2 100.2-116.1 0.3 -27.9 32.8 -23.2 114 127 A M H <> S+ 0 0 28 -3,-1.9 4,-2.3 -4,-0.4 5,-0.2 0.894 77.3 52.3 -58.5 -49.9 -28.4 31.7 -26.8 115 128 A P H > S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.927 115.4 41.5 -56.0 -43.4 -31.0 34.4 -27.7 116 129 A L H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.905 111.4 55.7 -71.8 -40.9 -28.7 37.2 -26.4 117 130 A F H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.898 107.8 49.9 -55.9 -39.9 -25.6 35.7 -27.9 118 131 A K H X S+ 0 0 73 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.904 111.5 47.4 -69.8 -38.7 -27.2 35.7 -31.3 119 132 A L H X S+ 0 0 64 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.975 115.7 45.2 -63.5 -50.9 -28.3 39.3 -31.0 120 133 A W H X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.950 110.7 54.0 -57.2 -51.5 -24.8 40.3 -29.9 121 134 A S H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.3 5,-0.3 0.932 107.6 51.3 -49.0 -47.8 -23.3 38.2 -32.6 122 135 A D H X>S+ 0 0 41 -4,-2.4 6,-1.6 1,-0.2 5,-0.9 0.932 112.4 45.6 -56.3 -48.4 -25.4 40.0 -35.3 123 136 A Y H <5S+ 0 0 15 -4,-2.3 -1,-0.2 4,-0.2 -2,-0.2 0.855 115.7 47.0 -56.0 -36.2 -24.3 43.5 -34.0 124 137 A I H <5S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.4 45.5 -90.8 -36.6 -20.7 42.5 -33.8 125 138 A I H <5S- 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.588 120.3-111.0 -75.9 -12.9 -20.2 40.8 -37.1 126 139 A G T <5S+ 0 0 47 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.372 84.8 123.6 98.5 -3.5 -22.1 43.8 -38.5 127 140 A N S > S+ 0 0 189 -2,-0.3 3,-0.6 1,-0.2 4,-0.5 0.874 119.4 66.6 -64.4 -47.0 -29.4 52.3 -30.7 132 145 A N H 3> S+ 0 0 78 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.507 76.4 90.3 -52.4 -8.6 -29.7 48.9 -28.9 133 146 A F H 3> S+ 0 0 77 -3,-0.4 4,-3.2 1,-0.2 5,-0.4 0.984 86.4 44.7 -59.0 -63.7 -26.0 48.1 -29.7 134 147 A N H <> S+ 0 0 104 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.2 0.874 116.5 48.8 -44.5 -48.0 -24.6 49.7 -26.5 135 148 A Y H X S+ 0 0 131 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.929 114.1 43.9 -59.5 -48.3 -27.3 48.0 -24.4 136 149 A V H X S+ 0 0 3 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.912 112.8 50.8 -71.8 -42.1 -26.9 44.6 -26.0 137 150 A N H X S+ 0 0 35 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.2 0.838 111.4 49.5 -58.6 -35.0 -23.1 44.6 -25.9 138 151 A N H X S+ 0 0 88 -4,-1.7 4,-1.9 -5,-0.4 -2,-0.2 0.906 112.5 47.4 -76.9 -36.7 -23.2 45.6 -22.2 139 152 A R H X S+ 0 0 130 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 113.8 46.5 -65.2 -46.4 -25.6 42.8 -21.5 140 153 A M H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.890 111.7 50.3 -65.7 -39.8 -23.6 40.2 -23.4 141 154 A V H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.903 107.9 54.8 -67.5 -42.7 -20.3 41.2 -21.8 142 155 A S H >X S+ 0 0 73 -4,-1.9 4,-1.4 -5,-0.2 3,-0.5 0.974 111.1 43.6 -51.4 -55.4 -21.9 41.0 -18.4 143 156 A R H 3X S+ 0 0 86 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.912 108.3 61.1 -57.8 -41.1 -23.0 37.4 -19.1 144 157 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.869 101.4 51.6 -51.8 -42.2 -19.6 36.6 -20.6 145 158 A L H X S+ 0 0 118 -4,-1.4 4,-1.2 -3,-0.3 3,-0.9 0.923 111.0 49.3 -63.6 -41.5 -20.3 35.1 -15.5 147 160 A I H >< S+ 0 0 10 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.953 102.2 60.6 -66.8 -47.8 -19.5 32.3 -17.9 148 161 A F H 3< S+ 0 0 13 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.738 108.1 47.1 -46.8 -26.5 -15.8 32.7 -17.7 149 162 A K H << S+ 0 0 186 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.689 108.5 55.3-101.1 -16.6 -16.1 31.9 -14.0 150 163 A S S << S- 0 0 68 -4,-1.2 2,-0.3 -3,-1.0 -3,-0.0 0.151 91.7-118.7 -77.3-148.8 -18.3 28.8 -14.2 151 164 A D + 0 0 121 -43,-0.0 2,-0.2 9,-0.0 -2,-0.1 -0.983 37.4 152.7-156.7 148.1 -17.0 26.0 -16.5 152 165 A S - 0 0 82 -2,-0.3 -44,-0.0 2,-0.2 -43,-0.0 -0.739 52.2-100.8-142.2-157.3 -17.5 23.9 -19.6 153 166 A H S S+ 0 0 141 -2,-0.2 -45,-0.1 4,-0.0 -47,-0.0 0.639 88.5 97.6-101.2 -15.7 -15.4 22.0 -22.1 154 167 A G S > S- 0 0 4 -49,-0.1 4,-1.1 3,-0.1 -47,-0.2 0.216 94.0 -85.3 -63.4-177.4 -15.7 24.7 -24.8 155 168 A I H > S+ 0 0 4 -49,-2.2 4,-3.0 1,-0.2 3,-0.3 0.854 122.5 61.5 -63.2 -41.1 -13.3 27.6 -25.7 156 169 A I H > S+ 0 0 3 -49,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.958 107.5 46.5 -49.6 -50.0 -14.5 30.0 -23.1 157 170 A N H > S+ 0 0 57 -50,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.782 112.6 50.1 -62.4 -29.6 -13.5 27.5 -20.5 158 171 A V H < S+ 0 0 23 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.836 108.1 51.7 -77.9 -36.1 -10.1 27.0 -22.2 159 172 A L H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.783 106.8 56.9 -70.2 -27.0 -9.5 30.7 -22.4 160 173 A A H 3< S+ 0 0 38 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.912 111.0 40.1 -67.6 -44.4 -10.2 30.9 -18.7 161 174 A G T 3< S+ 0 0 75 -4,-1.3 2,-0.2 -5,-0.1 -1,-0.2 0.263 102.7 108.6 -90.3 12.5 -7.5 28.4 -17.8 162 175 A S < + 0 0 20 -3,-0.6 7,-0.9 -4,-0.1 2,-0.3 -0.581 29.0 149.8 -99.4 151.6 -5.1 29.8 -20.3 163 176 A S B -F 168 0B 59 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.855 27.8-143.1-144.7 177.9 -1.9 31.8 -20.2 164 177 A L - 0 0 55 3,-1.9 -111,-0.1 -2,-0.3 -110,-0.1 -0.778 61.9 -22.3-152.4 124.0 1.0 31.8 -22.6 165 178 A K S S- 0 0 153 -2,-0.3 -1,-0.1 1,-0.1 -112,-0.0 0.964 123.6 -27.0 53.7 91.2 4.7 32.2 -21.8 166 179 A N S S+ 0 0 167 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.818 121.4 76.1 50.4 46.6 5.3 33.9 -18.4 167 180 A R S S- 0 0 119 2,-0.0 -3,-1.9 0, 0.0 2,-0.1 -0.676 70.9-123.8 175.3 129.9 2.0 35.9 -18.3 168 181 A K B -F 163 0B 180 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.379 39.9-100.6 -71.5 149.7 -1.8 35.5 -17.7 169 182 A L - 0 0 12 -7,-0.9 -1,-0.1 -10,-0.2 -7,-0.0 -0.595 34.5-125.3 -72.8 131.6 -4.3 36.5 -20.3 170 183 A T > - 0 0 66 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.247 17.9-119.8 -61.5 157.1 -6.1 39.8 -19.8 171 184 A M H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.811 117.1 54.6 -75.8 -27.8 -9.9 39.9 -19.6 172 185 A D H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.771 108.6 50.2 -70.5 -26.5 -9.9 42.3 -22.6 173 186 A E H > S+ 0 0 38 2,-0.2 4,-2.3 3,-0.2 -2,-0.2 0.879 107.6 51.9 -79.2 -37.7 -7.8 39.7 -24.4 174 187 A K H X S+ 0 0 36 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.931 113.3 44.2 -63.6 -45.0 -10.2 36.9 -23.6 175 188 A I H X S+ 0 0 17 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.959 114.3 48.3 -64.1 -48.6 -13.2 38.9 -24.9 176 189 A K H X S+ 0 0 61 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.877 108.0 56.6 -61.2 -35.5 -11.3 40.0 -28.1 177 190 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.948 111.4 42.3 -58.6 -51.7 -10.2 36.4 -28.6 178 191 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.929 112.4 54.9 -60.6 -46.0 -13.8 35.2 -28.6 179 192 A M H X S+ 0 0 25 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.890 106.0 51.9 -54.7 -40.8 -14.8 38.2 -30.7 180 193 A L H X S+ 0 0 21 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.907 109.1 50.4 -67.1 -40.0 -12.2 37.2 -33.3 181 194 A L H X S+ 0 0 19 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.855 113.7 44.7 -60.8 -34.9 -13.6 33.7 -33.5 182 195 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.922 116.6 44.3 -78.1 -41.9 -17.1 34.9 -34.0 183 196 A I H < S+ 0 0 61 -4,-2.6 4,-0.5 1,-0.2 5,-0.4 0.910 114.3 47.7 -75.0 -38.0 -16.3 37.6 -36.5 184 197 A G H < S+ 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.663 117.5 40.6 -79.2 -15.3 -13.9 35.5 -38.6 185 198 A G H X S+ 0 0 25 -4,-0.8 4,-0.9 -5,-0.2 -1,-0.2 0.710 106.8 57.6-103.7 -18.4 -16.2 32.5 -38.9 186 199 A N H X S+ 0 0 3 -4,-1.5 4,-2.1 2,-0.2 3,-0.4 0.993 108.0 32.8 -78.6 -73.6 -19.7 33.9 -39.4 187 200 A E H > S+ 0 0 73 -4,-0.5 4,-2.9 1,-0.2 5,-0.2 0.845 118.8 54.5 -55.5 -39.5 -19.9 36.1 -42.5 188 201 A T H > S+ 0 0 36 -5,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.932 111.2 43.2 -63.1 -45.5 -17.4 34.1 -44.3 189 202 A T H X S+ 0 0 7 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.2 0.801 114.7 51.2 -65.7 -32.5 -19.2 30.8 -43.8 190 203 A T H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.906 110.0 49.5 -71.8 -41.8 -22.5 32.5 -44.7 191 204 A N H X S+ 0 0 6 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.930 109.9 51.4 -64.9 -38.7 -21.0 33.9 -47.8 192 205 A L H X S+ 0 0 6 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.899 105.6 54.4 -62.8 -44.1 -19.6 30.4 -48.9 193 206 A I H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.939 111.9 44.3 -58.3 -46.1 -23.0 28.8 -48.5 194 207 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.859 111.9 53.9 -66.6 -34.9 -24.6 31.3 -50.8 195 208 A N H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.878 105.8 51.8 -71.8 -31.9 -21.6 31.0 -53.2 196 209 A M H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.845 108.6 52.5 -66.2 -29.0 -22.1 27.1 -53.4 197 210 A I H X S+ 0 0 4 -4,-1.4 4,-2.8 -5,-0.2 -2,-0.2 0.934 107.2 52.8 -74.8 -39.2 -25.7 27.7 -54.2 198 211 A R H X S+ 0 0 40 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.884 106.3 51.7 -59.7 -39.4 -24.6 30.0 -57.0 199 212 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.981 111.6 47.8 -61.5 -48.1 -22.3 27.4 -58.5 200 213 A I H < S+ 0 0 3 -4,-2.1 3,-0.4 1,-0.2 6,-0.2 0.943 110.7 50.8 -57.0 -52.9 -25.2 24.9 -58.5 201 214 A D H < S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.7 42.1 -44.6 -42.6 -27.5 27.6 -60.1 202 215 A E H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.707 124.2 33.9 -87.5 -18.4 -24.8 28.2 -62.8 203 216 A N >< + 0 0 53 -4,-2.1 3,-2.1 -3,-0.4 -1,-0.2 -0.607 68.2 175.3-135.4 69.8 -23.9 24.6 -63.4 204 217 A P G > S+ 0 0 94 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.684 76.0 53.4 -62.6 -15.8 -26.9 22.4 -62.9 205 218 A D G 3 S+ 0 0 147 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.451 86.6 83.3 -98.6 13.8 -25.5 19.1 -63.9 206 219 A I G <> + 0 0 19 -3,-2.1 4,-2.5 -6,-0.2 -1,-0.2 0.588 67.5 93.0 -74.8 -13.6 -22.7 19.4 -61.4 207 220 A I H <> S+ 0 0 42 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.876 80.5 47.3 -58.9 -52.2 -25.0 18.1 -58.8 208 221 A D H > S+ 0 0 105 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.914 114.5 47.9 -52.9 -48.2 -24.3 14.4 -59.0 209 222 A D H > S+ 0 0 90 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.904 108.7 54.8 -64.6 -37.1 -20.5 15.0 -58.9 210 223 A A H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 7,-0.3 0.890 107.9 50.2 -59.4 -40.4 -21.0 17.4 -55.9 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H X S+ 0 0 2 -4,-1.3 4,-3.0 1,-0.2 5,-0.3 0.907 105.6 56.5 -50.6 -46.0 -28.6 43.1 -80.0 535 211 B R H X S+ 0 0 38 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.906 104.4 51.7 -57.3 -45.5 -26.7 42.0 -77.0 536 212 B V H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.2 -1,-0.2 0.880 114.0 45.5 -55.7 -44.0 -28.6 44.4 -74.7 537 213 B I H < S+ 0 0 8 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.974 110.7 49.5 -64.6 -58.9 -31.8 42.9 -76.1 538 214 B D H < S+ 0 0 38 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.813 118.8 42.6 -51.4 -31.9 -30.9 39.2 -75.9 539 215 B E H < S+ 0 0 76 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.813 121.2 39.2 -84.4 -35.0 -29.9 39.8 -72.3 540 216 B N S < S- 0 0 58 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.3 -0.784 74.6-177.5-115.9 84.2 -32.9 42.1 -71.4 541 217 B P S S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.707 74.8 49.4 -62.9 -29.5 -35.7 40.2 -73.2 542 218 B D S S+ 0 0 154 1,-0.2 4,-0.1 2,-0.1 -5,-0.0 -0.637 82.8 85.7-115.0 69.4 -38.4 42.7 -72.3 543 219 B I > + 0 0 12 -3,-0.5 4,-2.6 -2,-0.5 5,-0.2 0.271 60.5 97.1-127.4 -10.0 -36.9 46.1 -73.1 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