==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-03 1Q5D . COMPND 2 MOLECULE: P450 EPOXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SORANGIUM CELLULOSUM; . AUTHOR S.NAGANO,H.LI,H.SHIMIZU,C.NISHIDA,H.OGURA,P.R.ORTIZ DE . 401 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 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 . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 0 2 0 2 1 2 2 0 0 1 2 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 16 A D 0 0 135 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 107.3 15.9 51.2 -3.0 2 17 A F + 0 0 21 18,-0.0 15,-0.0 15,-0.0 14,-0.0 -0.906 360.0 152.9-123.1 105.2 14.1 49.1 -0.4 3 18 A K > + 0 0 128 -2,-0.5 3,-1.7 1,-0.1 6,-0.1 -0.689 7.4 169.5-129.4 76.6 13.0 45.6 -1.5 4 19 A P T 3 S+ 0 0 2 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.498 79.5 54.1 -73.2 -2.7 12.9 43.3 1.5 5 20 A F T 3 S+ 0 0 10 4,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.343 80.1 119.5-107.4 4.0 11.1 40.6 -0.6 6 21 A A S X S- 0 0 35 -3,-1.7 3,-2.1 1,-0.1 4,-0.5 -0.388 80.1 -94.0 -63.3 141.6 13.7 40.5 -3.4 7 22 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.341 114.6 25.3 -52.1 137.8 15.3 37.1 -3.9 8 23 A G T 3> S+ 0 0 43 -3,-0.1 4,-1.8 374,-0.1 -2,-0.1 0.118 93.1 101.5 91.1 -22.1 18.6 37.1 -1.9 9 24 A Y T <4 S+ 0 0 13 -3,-2.1 3,-0.3 2,-0.2 5,-0.1 0.954 81.8 47.2 -66.1 -52.1 17.4 39.7 0.7 10 25 A A T 4 S+ 0 0 5 -4,-0.5 -1,-0.2 1,-0.2 379,-0.1 0.929 111.8 52.7 -51.5 -49.1 16.7 37.3 3.5 11 26 A E T 4 S- 0 0 82 1,-0.2 -1,-0.2 372,-0.1 -2,-0.2 0.858 137.1 -5.0 -55.9 -39.1 20.0 35.5 2.9 12 27 A D < + 0 0 88 -4,-1.8 4,-0.3 -3,-0.3 -1,-0.2 -0.548 65.1 160.6-162.4 84.6 22.0 38.8 3.1 13 28 A P > + 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.472 55.1 95.3 -82.8 -3.2 20.1 42.0 3.5 14 29 A F H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 78.5 48.4 -69.5 -45.1 23.0 43.9 4.9 15 30 A P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.917 115.1 48.4 -56.2 -44.3 24.5 45.6 1.8 16 31 A A H > S+ 0 0 30 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.917 115.5 40.9 -64.8 -46.2 21.1 46.9 0.8 17 32 A I H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 -1,-0.2 0.825 110.1 58.8 -75.5 -26.8 20.1 48.3 4.2 18 33 A E H X S+ 0 0 63 -4,-2.6 4,-3.0 -5,-0.3 5,-0.3 0.962 105.0 51.2 -61.8 -46.9 23.6 49.7 4.8 19 34 A R H X S+ 0 0 169 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.904 114.4 44.4 -53.0 -44.6 23.1 51.7 1.6 20 35 A L H X S+ 0 0 18 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.953 112.8 49.8 -63.6 -53.2 19.8 52.9 3.0 21 36 A R H < S+ 0 0 17 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.888 112.6 46.8 -55.5 -44.3 21.1 53.6 6.5 22 37 A E H < S+ 0 0 133 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 114.8 46.7 -70.3 -32.1 24.1 55.7 5.3 23 38 A A H < S- 0 0 85 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.821 125.2 -1.3 -80.0 -31.3 22.0 57.7 2.8 24 39 A T < - 0 0 41 -4,-2.2 -1,-0.2 -5,-0.1 14,-0.1 -0.996 46.0-139.6-161.4 148.4 19.1 58.6 5.2 25 40 A P S S+ 0 0 26 0, 0.0 13,-1.7 0, 0.0 14,-0.5 0.642 94.8 18.9 -80.9 -18.1 17.7 58.2 8.7 26 41 A I E +A 37 0A 11 11,-0.2 2,-0.3 275,-0.2 11,-0.2 -0.995 61.6 168.7-155.0 143.0 14.1 57.8 7.3 27 42 A F E -A 36 0A 31 9,-1.4 9,-2.5 -2,-0.3 2,-0.5 -0.984 36.1-109.0-150.1 159.1 12.3 57.0 4.1 28 43 A Y E -A 35 0A 95 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.810 25.5-146.4 -92.4 128.8 8.8 56.1 3.0 29 44 A W E >> -A 34 0A 5 5,-3.1 5,-1.4 -2,-0.5 4,-1.2 -0.837 7.9-158.8 -97.7 106.0 8.3 52.5 1.9 30 45 A D T >45S+ 0 0 126 -2,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.930 88.0 37.4 -52.2 -59.3 5.7 52.5 -0.9 31 46 A E T 345S+ 0 0 76 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.835 118.7 50.5 -68.6 -30.1 4.5 48.9 -0.8 32 47 A G T 345S- 0 0 1 2,-0.2 -1,-0.3 141,-0.1 -2,-0.2 0.628 98.7-141.7 -78.5 -13.4 4.7 48.8 3.0 33 48 A R T <<5 + 0 0 90 -4,-1.2 277,-0.5 -3,-1.0 2,-0.3 0.914 65.5 90.9 52.0 45.9 2.7 52.0 3.2 34 49 A S E S- 0 0 77 -14,-0.5 4,-2.7 1,-0.1 3,-0.4 -0.816 73.0-125.4-113.5 144.3 19.6 54.2 12.5 40 55 A Y H > S+ 0 0 19 -2,-0.3 4,-3.6 278,-0.3 5,-0.3 0.901 106.2 48.0 -46.0 -54.9 20.1 52.9 16.0 41 56 A H H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 115.2 44.3 -64.9 -35.2 19.4 56.1 17.9 42 57 A D H > S+ 0 0 40 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.915 116.7 47.0 -72.0 -44.4 16.2 56.9 16.1 43 58 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.955 114.7 46.1 -58.4 -51.8 15.0 53.3 16.3 44 59 A S H X S+ 0 0 33 -4,-3.6 4,-0.8 -5,-0.3 -2,-0.2 0.904 110.7 54.0 -60.1 -41.0 15.8 53.1 20.0 45 60 A A H >< S+ 0 0 44 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.918 103.9 54.7 -61.0 -44.3 14.2 56.5 20.7 46 61 A V H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.848 96.3 65.3 -60.5 -37.1 10.9 55.5 19.1 47 62 A F H 3< S+ 0 0 21 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.883 113.7 34.4 -50.3 -37.4 10.6 52.4 21.4 48 63 A R T << S+ 0 0 161 -3,-1.0 2,-0.7 -4,-0.8 -1,-0.3 0.104 92.6 107.3-108.1 20.2 10.4 54.9 24.2 49 64 A D X - 0 0 28 -3,-1.9 3,-2.7 1,-0.1 -3,-0.0 -0.867 53.2-160.0-105.9 106.8 8.4 57.7 22.5 50 65 A E T 3 S+ 0 0 153 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.625 86.9 75.3 -65.5 -11.1 4.8 57.8 23.7 51 66 A R T 3 S+ 0 0 90 1,-0.1 244,-2.5 243,-0.1 2,-0.6 0.718 89.5 69.3 -65.7 -21.3 3.9 59.7 20.5 52 67 A F E < S-C 294 0A 11 -3,-2.7 242,-0.2 -6,-0.2 2,-0.2 -0.892 76.8-157.0-107.2 116.7 4.2 56.4 18.8 53 68 A A E -C 293 0A 15 240,-3.3 240,-2.5 -2,-0.6 -2,-0.0 -0.495 18.9-154.0 -92.2 158.5 1.5 53.8 19.6 54 69 A V + 0 0 15 238,-0.2 -1,-0.1 -2,-0.2 27,-0.1 0.784 66.2 101.2 -92.6 -39.9 1.5 50.0 19.3 55 70 A S > - 0 0 20 28,-0.2 3,-1.9 1,-0.2 27,-0.2 -0.254 67.0-144.9 -55.2 126.4 -2.2 49.4 18.9 56 71 A R G > S+ 0 0 33 1,-0.3 3,-1.5 20,-0.3 -1,-0.2 0.650 93.7 78.3 -67.9 -13.3 -3.1 48.8 15.2 57 72 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 25,-0.1 5,-0.1 0.594 84.3 62.3 -73.4 -9.8 -6.3 50.7 15.9 58 73 A E G < S+ 0 0 65 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.548 85.0 107.0 -86.1 -9.9 -4.2 53.9 15.7 59 74 A W S X S- 0 0 8 -3,-1.5 3,-1.3 -4,-0.2 250,-0.2 -0.342 77.5-129.9 -69.4 148.8 -3.4 53.0 12.0 60 75 A E T 3 S+ 0 0 110 248,-2.3 3,-0.3 1,-0.3 -1,-0.1 0.745 112.9 47.8 -68.2 -23.2 -5.0 54.9 9.1 61 76 A S T 3> S+ 0 0 27 247,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.017 74.7 123.4-105.2 26.3 -5.9 51.5 7.7 62 77 A S H <> + 0 0 25 -3,-1.3 4,-3.7 2,-0.2 5,-0.3 0.883 69.4 54.2 -52.0 -46.4 -7.3 50.1 10.9 63 78 A A H > S+ 0 0 81 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.939 110.4 45.4 -57.7 -51.8 -10.7 49.3 9.4 64 79 A E H > S+ 0 0 70 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.919 117.1 48.1 -57.3 -40.2 -9.2 47.2 6.7 65 80 A Y H >< S+ 0 0 10 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.935 109.9 47.6 -70.5 -48.6 -7.0 45.6 9.4 66 81 A S H 3< S+ 0 0 32 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 112.3 52.7 -61.8 -30.5 -9.6 44.8 12.0 67 82 A S H 3< S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.3 2,-0.2 0.756 90.1 92.6 -78.1 -25.0 -11.8 43.3 9.3 68 83 A A S << S+ 0 0 17 -4,-1.1 4,-0.2 -3,-0.5 102,-0.0 -0.512 100.4 0.2 -71.1 137.7 -9.1 41.0 8.0 69 84 A I S > S- 0 0 10 -2,-0.2 3,-2.5 1,-0.1 -1,-0.2 0.963 71.5-165.6 47.2 70.6 -9.1 37.5 9.5 70 85 A P G > S+ 0 0 88 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.666 81.4 73.4 -61.0 -19.7 -12.1 38.0 11.8 71 86 A E G 3 S+ 0 0 83 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.656 101.3 44.3 -65.2 -18.7 -11.1 34.8 13.7 72 87 A L G <> S+ 0 0 1 -3,-2.5 4,-2.2 -4,-0.2 -1,-0.2 0.264 81.3 105.6-108.8 7.4 -8.2 36.9 15.1 73 88 A S H <> S+ 0 0 31 -3,-1.2 4,-1.8 1,-0.2 5,-0.2 0.906 82.0 47.4 -56.1 -49.0 -10.3 40.0 15.9 74 89 A D H > S+ 0 0 76 -4,-0.4 4,-3.1 1,-0.2 5,-0.4 0.910 111.4 51.0 -58.7 -45.2 -10.3 39.4 19.7 75 90 A M H > S+ 0 0 17 1,-0.2 4,-0.8 2,-0.2 7,-0.3 0.847 109.7 51.2 -63.5 -33.7 -6.6 38.7 19.7 76 91 A K H < S+ 0 0 25 -4,-2.2 -20,-0.3 2,-0.2 -1,-0.2 0.856 120.3 32.7 -71.6 -35.8 -5.9 42.0 17.9 77 92 A K H < S+ 0 0 64 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.868 129.8 31.7 -94.3 -36.4 -8.0 44.1 20.3 78 93 A Y H < S+ 0 0 79 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.419 101.8 97.4 -99.0 -2.5 -7.5 42.3 23.6 79 94 A G S >X S- 0 0 4 -4,-0.8 4,-2.2 -5,-0.4 3,-1.2 -0.258 94.6 -93.1 -79.4 175.9 -4.0 41.1 22.9 80 95 A L T 34 S+ 0 0 25 1,-0.3 -26,-0.1 2,-0.2 -25,-0.1 0.761 124.6 51.1 -65.5 -26.7 -0.8 42.8 24.0 81 96 A F T 34 S+ 0 0 104 -6,-0.3 -1,-0.3 1,-0.1 -25,-0.2 0.659 117.1 39.8 -82.8 -14.1 -0.4 44.8 20.8 82 97 A G T <4 S+ 0 0 5 -3,-1.2 -2,-0.2 -7,-0.3 -1,-0.1 0.744 86.8 103.1-106.5 -27.4 -4.0 46.1 21.0 83 98 A L S < S- 0 0 12 -4,-2.2 -28,-0.2 1,-0.1 -29,-0.1 -0.239 78.5-104.6 -60.6 143.3 -4.7 46.9 24.6 84 99 A P >> - 0 0 62 0, 0.0 4,-2.8 0, 0.0 3,-0.6 -0.321 42.0 -99.4 -62.4 152.7 -4.7 50.5 25.8 85 100 A P H 3> S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 122.0 50.0 -48.2 -46.3 -1.5 51.5 27.8 86 101 A E H 3> S+ 0 0 140 1,-0.2 4,-1.4 2,-0.2 -3,-0.0 0.909 115.5 42.7 -60.7 -44.7 -3.1 51.1 31.2 87 102 A D H <> S+ 0 0 54 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.870 110.9 56.0 -69.2 -38.6 -4.5 47.7 30.4 88 103 A H H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.927 107.3 49.3 -58.2 -45.6 -1.3 46.5 28.7 89 104 A A H X S+ 0 0 56 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.879 109.2 53.2 -62.3 -38.5 0.7 47.3 31.8 90 105 A R H X S+ 0 0 71 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.956 110.9 44.9 -61.4 -52.6 -1.8 45.4 34.0 91 106 A V H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.926 115.8 46.7 -59.3 -47.4 -1.5 42.3 31.9 92 107 A R H X S+ 0 0 14 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.912 109.1 53.7 -60.8 -43.6 2.3 42.5 31.7 93 108 A K H < S+ 0 0 175 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.1 49.6 -59.8 -36.5 2.6 43.1 35.4 94 109 A L H < S+ 0 0 28 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.890 120.8 30.0 -67.6 -43.6 0.5 40.0 35.9 95 110 A V H >< S+ 0 0 2 -4,-1.8 3,-1.4 1,-0.1 4,-0.4 0.739 97.2 83.8 -95.6 -22.1 2.4 37.6 33.6 96 111 A N G >< S+ 0 0 63 -4,-3.0 3,-2.2 1,-0.3 4,-0.3 0.861 84.5 59.1 -52.4 -44.4 6.0 38.9 33.8 97 112 A P G > S+ 0 0 78 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.834 99.4 60.1 -55.9 -30.5 7.0 37.1 37.1 98 113 A S G < S+ 0 0 22 -3,-1.4 -2,-0.2 1,-0.2 112,-0.1 0.620 104.9 49.8 -72.0 -13.6 6.2 33.8 35.3 99 114 A F G < S+ 0 0 13 -3,-2.2 255,-0.4 -4,-0.4 256,-0.3 0.314 77.5 121.3-111.6 8.0 8.9 34.5 32.7 100 115 A T S <> S- 0 0 55 -3,-0.9 4,-2.4 -4,-0.3 5,-0.2 -0.281 77.8-107.0 -63.9 160.0 12.0 35.4 34.8 101 116 A S H > S+ 0 0 58 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.846 122.4 51.7 -52.8 -39.1 15.2 33.3 34.3 102 117 A R H >4 S+ 0 0 186 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.931 109.9 47.1 -65.1 -48.2 14.4 31.8 37.8 103 118 A A H >4 S+ 0 0 22 -6,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.889 114.6 45.7 -63.4 -41.4 10.9 30.8 36.9 104 119 A I H >< S+ 0 0 4 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.566 88.0 88.2 -84.1 -4.8 11.7 29.3 33.6 105 120 A D G X< S+ 0 0 79 -4,-0.7 3,-2.0 -3,-0.5 4,-0.3 0.814 75.3 69.6 -57.3 -31.1 14.7 27.3 34.9 106 121 A L G X S+ 0 0 141 -3,-0.8 3,-0.6 -4,-0.4 4,-0.4 0.744 89.6 63.3 -61.7 -23.1 12.3 24.5 35.8 107 122 A L G <> S+ 0 0 20 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.549 75.7 96.2 -77.5 -7.6 11.9 23.8 32.1 108 123 A R H <> S+ 0 0 103 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.879 82.2 47.3 -54.9 -44.7 15.6 22.9 31.8 109 124 A A H <> S+ 0 0 59 -3,-0.6 4,-2.4 -4,-0.3 -1,-0.2 0.919 112.6 47.2 -65.0 -46.9 15.1 19.2 32.1 110 125 A E H > S+ 0 0 44 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.902 111.6 51.2 -65.4 -40.2 12.3 18.9 29.6 111 126 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.942 110.8 48.4 -62.0 -45.7 14.0 21.0 27.0 112 127 A Q H X S+ 0 0 50 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.918 110.2 52.4 -59.4 -46.7 17.2 18.9 27.3 113 128 A R H X S+ 0 0 127 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.917 110.8 46.7 -49.8 -50.7 15.1 15.7 26.9 114 129 A T H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.958 113.2 48.7 -62.1 -48.3 13.5 17.0 23.8 115 130 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.879 112.2 50.6 -56.7 -40.9 16.9 18.1 22.4 116 131 A D H X S+ 0 0 43 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.929 110.8 47.2 -63.1 -48.5 18.2 14.6 23.2 117 132 A Q H X S+ 0 0 110 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.844 109.4 53.3 -68.5 -32.8 15.4 12.7 21.5 118 133 A L H X S+ 0 0 37 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.927 112.2 45.2 -65.2 -42.9 15.6 14.8 18.4 119 134 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.2 3,-0.2 0.879 114.2 48.2 -70.1 -38.1 19.3 14.1 18.0 120 135 A D H < S+ 0 0 126 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.899 108.8 55.5 -65.7 -42.0 18.9 10.4 18.8 121 136 A A H < S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.759 128.4 9.3 -61.7 -28.6 16.0 10.1 16.3 122 137 A R H >< S+ 0 0 74 -4,-1.0 3,-1.5 -3,-0.2 -2,-0.2 0.531 91.5 98.9-136.0 -9.3 18.0 11.4 13.3 123 138 A S T 3< S+ 0 0 35 -4,-2.2 275,-0.1 1,-0.3 -3,-0.1 0.676 78.5 70.2 -60.9 -14.3 21.7 11.9 13.9 124 139 A G T 3 S+ 0 0 72 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.723 79.8 91.6 -79.1 -23.0 22.3 8.6 12.2 125 140 A Q S < S- 0 0 81 -3,-1.5 3,-0.1 2,-0.2 -3,-0.0 0.017 84.2-116.2 -65.5 172.8 21.5 9.7 8.6 126 141 A E S S+ 0 0 155 1,-0.2 2,-0.4 271,-0.1 272,-0.2 0.897 102.9 43.3 -71.5 -43.0 23.9 11.0 6.0 127 142 A E - 0 0 84 270,-0.1 2,-0.4 271,-0.1 -2,-0.2 -0.860 64.4-172.0-112.7 137.7 22.0 14.4 6.1 128 143 A F E -E 396 0B 3 268,-1.8 268,-2.8 -2,-0.4 2,-0.8 -0.991 12.5-152.0-129.1 123.1 20.7 16.3 9.0 129 144 A D E > -E 395 0B 5 -2,-0.4 4,-2.6 266,-0.2 5,-0.5 -0.848 2.2-159.2 -96.7 108.6 18.4 19.4 8.6 130 145 A V T 4>S+ 0 0 0 264,-2.9 5,-3.4 -2,-0.8 6,-0.2 0.752 91.9 43.4 -61.3 -24.8 19.0 21.7 11.6 131 146 A V T >4>S+ 0 0 5 263,-0.2 5,-2.9 3,-0.2 3,-0.9 0.950 123.7 27.5 -78.4 -73.4 15.6 23.3 10.9 132 147 A R T 345S+ 0 0 129 260,-0.3 -2,-0.2 1,-0.2 261,-0.1 0.808 129.8 38.7 -65.1 -33.9 13.2 20.4 10.1 133 148 A D T 3<5S+ 0 0 14 -4,-2.6 -1,-0.2 3,-0.1 -3,-0.2 0.494 135.7 3.3 -93.4 -4.9 15.0 17.7 12.2 134 149 A Y T X 5S+ 0 0 0 -3,-0.9 3,-1.1 -5,-0.5 4,-0.2 0.475 123.3 42.7-142.9 -76.4 16.0 19.9 15.2 135 150 A A G > S+ 0 0 2 -3,-1.5 4,-2.0 -4,-0.2 3,-0.3 0.908 87.8 55.9 -98.8 -56.3 12.0 22.5 20.2 139 154 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.792 107.8 47.2 -55.1 -36.5 10.2 25.8 20.8 140 155 A M H > S+ 0 0 5 -4,-0.4 4,-3.4 2,-0.2 5,-0.3 0.884 108.4 55.7 -75.6 -34.2 6.6 24.4 21.1 141 156 A R H > S+ 0 0 14 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.949 109.0 49.5 -56.9 -43.5 7.7 21.7 23.4 142 157 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.943 114.3 42.6 -59.4 -52.4 9.2 24.4 25.6 143 158 A I H X S+ 0 0 4 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.908 114.3 51.5 -61.7 -43.1 6.0 26.5 25.6 144 159 A S H <>S+ 0 0 0 -4,-3.4 5,-3.4 2,-0.2 4,-0.5 0.840 108.3 52.0 -64.0 -35.9 3.8 23.4 26.0 145 160 A A H ><5S+ 0 0 19 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.917 110.0 48.8 -63.1 -43.5 5.9 22.3 29.0 146 161 A L H 3<5S+ 0 0 14 -4,-2.2 64,-0.6 1,-0.2 65,-0.3 0.840 117.5 41.5 -64.2 -32.5 5.4 25.8 30.5 147 162 A L T 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.448 111.7-123.0 -91.5 -4.9 1.6 25.5 29.8 148 163 A K T < 5 + 0 0 95 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.930 57.2 153.4 56.3 50.3 1.6 21.8 30.9 149 164 A V < - 0 0 7 -5,-3.4 -1,-0.2 -8,-0.2 -2,-0.1 -0.902 49.9-103.8-105.8 136.2 0.2 20.6 27.6 150 165 A P > - 0 0 81 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.268 25.4-117.1 -58.9 145.3 1.0 17.0 26.5 151 166 A A G > S+ 0 0 61 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.693 110.3 75.3 -56.5 -18.3 3.6 16.5 23.9 152 167 A E G 3 S+ 0 0 175 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.832 94.1 48.6 -62.8 -33.6 0.8 15.0 21.7 153 168 A C G <> S+ 0 0 21 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.413 84.1 97.4 -87.0 -0.5 -0.6 18.5 21.0 154 169 A D H <> S+ 0 0 22 -3,-1.2 4,-2.7 -4,-0.3 5,-0.2 0.918 80.6 48.3 -59.2 -50.4 2.8 20.0 20.1 155 170 A E H > S+ 0 0 101 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.877 113.1 48.0 -61.2 -40.7 2.4 19.8 16.3 156 171 A K H > S+ 0 0 91 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.882 113.9 46.6 -68.6 -39.2 -1.0 21.3 16.3 157 172 A F H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.859 109.8 52.9 -71.3 -36.1 -0.0 24.2 18.5 158 173 A R H X S+ 0 0 35 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.884 110.1 49.4 -62.9 -38.8 3.1 24.9 16.5 159 174 A R H X S+ 0 0 96 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.911 112.2 48.0 -66.9 -42.1 1.0 25.0 13.4 160 175 A F H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.931 112.9 48.8 -59.3 -48.6 -1.4 27.4 15.2 161 176 A G H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.948 115.3 42.2 -59.1 -50.8 1.5 29.5 16.4 162 177 A S H X S+ 0 0 17 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.892 117.2 47.9 -66.8 -39.7 3.2 29.8 13.0 163 178 A A H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.895 111.0 51.1 -65.9 -44.0 -0.1 30.4 11.1 164 179 A T H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.916 106.6 53.7 -60.5 -45.3 -1.3 33.0 13.6 165 180 A A H < S+ 0 0 29 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.2 0.914 115.3 40.5 -59.2 -42.5 2.0 35.0 13.3 166 181 A R H >< S+ 0 0 32 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.890 113.0 54.1 -67.7 -44.4 1.5 35.1 9.5 167 182 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.844 98.6 62.7 -63.0 -35.5 -2.2 35.7 9.6 168 183 A L T 3< S+ 0 0 46 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.671 99.2 58.6 -63.6 -15.0 -1.7 38.7 11.9 169 184 A G T X> S+ 0 0 8 -3,-1.5 4,-2.7 -4,-0.2 3,-2.0 0.591 75.6 112.7 -87.8 -12.2 0.2 40.2 9.0 170 185 A V T <4 S+ 0 0 36 -3,-1.7 -102,-0.1 -4,-0.3 -3,-0.0 -0.489 94.7 4.1 -68.5 117.9 -2.7 40.0 6.5 171 186 A G T 34 S+ 0 0 23 2,-0.4 -1,-0.3 -2,-0.4 -106,-0.1 0.368 129.7 65.9 89.5 -5.1 -3.8 43.6 5.7 172 187 A L T <4 S+ 0 0 9 -3,-2.0 -2,-0.2 1,-0.4 -3,-0.1 0.762 101.2 34.2-112.6 -52.9 -0.9 45.0 7.8 173 188 A V S < S- 0 0 23 -4,-2.7 -2,-0.4 1,-0.0 -1,-0.4 -0.884 86.5-110.6-114.3 147.4 2.3 43.9 6.0 174 189 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.579 92.6 20.2 -46.4 -43.0 2.8 43.6 2.2 175 190 A R - 0 0 125 211,-0.1 2,-0.4 209,-0.0 -5,-0.1 -0.686 58.0-170.1-144.6 80.2 3.2 39.9 1.2 176 191 A V - 0 0 34 -3,-0.3 2,-1.0 -2,-0.3 209,-0.1 -0.652 24.5-139.1 -73.7 126.8 1.9 37.2 3.6 177 192 A D + 0 0 55 -2,-0.4 2,-0.3 207,-0.2 207,-0.1 -0.203 65.2 66.5 -93.3 45.1 3.3 34.0 2.0 178 193 A E S S- 0 0 70 -2,-1.0 2,-0.2 -12,-0.1 -2,-0.1 -0.994 85.2 -86.6-158.5 155.8 0.4 31.5 2.3 179 194 A E > - 0 0 140 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.477 35.0-134.8 -65.8 131.8 -3.1 30.7 1.3 180 195 A T H > S+ 0 0 81 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.871 101.6 55.5 -58.2 -42.3 -5.7 32.4 3.5 181 196 A K H > S+ 0 0 181 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 108.7 46.9 -60.4 -42.6 -7.9 29.2 3.9 182 197 A T H > S+ 0 0 63 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.930 113.4 49.1 -65.6 -46.1 -5.0 27.2 5.2 183 198 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.923 112.8 47.1 -56.1 -49.6 -4.0 30.0 7.6 184 199 A V H X S+ 0 0 27 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.863 109.6 53.8 -66.5 -35.3 -7.5 30.4 8.9 185 200 A A H X S+ 0 0 56 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.964 110.5 45.7 -62.1 -53.1 -7.9 26.6 9.4 186 201 A S H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.869 114.3 49.9 -57.1 -38.6 -4.8 26.4 11.5 187 202 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.7 45.5 -67.0 -46.4 -5.9 29.4 13.5 188 203 A T H X S+ 0 0 68 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.925 114.0 48.3 -59.5 -49.8 -9.4 28.1 14.1 189 204 A E H X S+ 0 0 74 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.921 113.3 48.9 -57.9 -45.8 -8.1 24.6 15.1 190 205 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.884 109.3 49.9 -63.2 -43.6 -5.6 26.2 17.4 191 206 A L H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.888 111.6 50.0 -64.7 -38.9 -8.1 28.5 19.2 192 207 A A H X S+ 0 0 64 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 112.2 47.0 -61.2 -50.9 -10.4 25.5 19.7 193 208 A L H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 110.9 51.9 -56.9 -46.5 -7.6 23.4 21.2 194 209 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.914 106.9 53.7 -57.4 -43.8 -6.6 26.3 23.4 195 210 A H H X S+ 0 0 114 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.903 109.7 48.6 -58.1 -41.6 -10.2 26.6 24.6 196 211 A G H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.863 110.7 49.6 -65.1 -40.6 -10.1 22.9 25.5 197 212 A V H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 113.2 46.7 -64.6 -44.6 -6.8 23.2 27.4 198 213 A L H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.904 111.5 50.2 -66.1 -43.0 -8.0 26.2 29.3 199 214 A D H X S+ 0 0 52 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.864 111.4 49.9 -61.9 -38.5 -11.3 24.6 30.2 200 215 A E H X S+ 0 0 92 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.889 109.7 49.9 -67.5 -39.5 -9.4 21.4 31.4 201 216 A R H < S+ 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.794 107.7 54.4 -69.9 -26.4 -7.1 23.5 33.6 202 217 A R H < S+ 0 0 155 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.2 44.7 -71.0 -34.8 -10.1 25.3 35.1 203 218 A R H < S+ 0 0 200 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 128.8 26.4 -74.0 -43.6 -11.4 21.8 35.9 204 219 A N S < S- 0 0 78 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 -0.603 83.1-171.3-119.8 72.3 -8.0 20.6 37.3 205 220 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.209 11.1-147.5 -63.4 155.3 -6.1 23.7 38.5 206 221 A L - 0 0 78 3,-0.1 3,-0.5 -5,-0.1 2,-0.2 -0.828 12.6-107.5-126.9 160.5 -2.4 23.2 39.5 207 222 A E S S+ 0 0 173 -2,-0.3 3,-0.1 1,-0.2 5,-0.1 -0.603 99.9 8.6 -83.6 149.7 0.1 24.6 41.9 208 223 A N S S+ 0 0 151 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.932 97.5 143.9 46.1 57.0 3.0 26.8 40.7 209 224 A D > - 0 0 9 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 -0.991 51.2-148.4-136.0 129.0 1.3 26.9 37.3 210 225 A V H > S+ 0 0 15 -64,-0.6 4,-2.6 -2,-0.4 5,-0.2 0.948 99.9 44.6 -64.4 -51.6 1.2 29.8 34.9 211 226 A L H > S+ 0 0 0 -65,-0.3 4,-3.3 2,-0.2 5,-0.2 0.928 113.1 50.6 -59.3 -47.9 -2.2 29.0 33.3 212 227 A T H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 110.7 51.3 -54.6 -44.9 -3.8 28.3 36.7 213 228 A M H X S+ 0 0 51 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.932 111.9 45.7 -58.1 -46.8 -2.4 31.6 37.9 214 229 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 111.4 52.7 -62.8 -43.8 -3.9 33.4 34.9 215 230 A L H X S+ 0 0 15 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.901 109.0 49.2 -61.4 -39.5 -7.2 31.6 35.3 216 231 A Q H X S+ 0 0 102 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.907 108.6 53.0 -66.3 -42.3 -7.5 32.7 39.0 217 232 A A H < S+ 0 0 0 -4,-2.2 6,-0.8 1,-0.2 7,-0.6 0.884 110.3 49.2 -55.1 -41.1 -6.7 36.3 38.0 218 233 A E H < S+ 0 0 43 -4,-2.2 -2,-0.2 5,-0.2 -1,-0.2 0.866 114.3 44.6 -69.0 -36.6 -9.5 36.1 35.5 219 234 A A H < S+ 0 0 75 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 113.2 50.3 -73.9 -47.6 -12.0 34.6 38.1 220 235 A D S < S- 0 0 102 -4,-2.9 -3,-0.1 -5,-0.1 4,-0.1 0.590 111.5 -19.1 -67.3-138.4 -11.2 36.9 41.0 221 236 A G S > S- 0 0 46 1,-0.2 2,-1.3 2,-0.1 3,-0.5 0.322 89.9 -71.2 -55.5-167.1 -11.1 40.7 40.8 222 237 A S T 3 S+ 0 0 123 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.541 92.4 115.0 -93.0 68.0 -10.7 42.7 37.7 223 238 A R T 3 S+ 0 0 102 -2,-1.3 2,-0.3 -6,-0.8 -1,-0.2 0.575 83.0 10.1-107.1 -17.3 -7.1 41.9 37.0 224 239 A L < - 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