==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-DEC-05 2FE6 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.VON KOENIG,T.M.MAKRIS,S.G.SLIGAR,I.SCHLICHTING . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 68.1 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 . 32 7.9 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 4 0 0 2 0 3 1 0 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 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 . 3 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 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 10 A N 0 0 191 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 145.1 31.2 22.7 61.3 2 11 A L - 0 0 77 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.911 360.0-135.8-109.0 122.9 28.2 24.8 62.4 3 12 A A - 0 0 25 45,-2.7 49,-0.0 -2,-0.5 46,-0.0 -0.392 38.3 -87.7 -73.0 149.3 27.3 28.1 60.5 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.272 49.7-102.7 -58.3 142.3 26.4 31.2 62.6 5 14 A L - 0 0 68 -3,-0.1 6,-0.0 1,-0.1 43,-0.0 -0.502 37.8-117.2 -70.0 125.4 22.7 31.4 63.4 6 15 A P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.259 24.6-110.8 -61.4 150.5 20.9 34.0 61.2 7 16 A P T 3 S+ 0 0 142 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.704 114.8 50.6 -54.2 -27.0 19.3 37.0 63.0 8 17 A H T 3 S+ 0 0 38 2,-0.1 294,-0.2 294,-0.0 -3,-0.0 0.500 88.5 95.1 -93.7 -4.0 15.7 35.8 62.3 9 18 A V < - 0 0 9 -3,-1.7 2,-0.1 292,-0.1 5,-0.0 -0.788 67.4-140.9 -95.7 118.9 16.1 32.3 63.7 10 19 A P > - 0 0 47 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.457 15.9-124.7 -75.9 146.6 15.1 31.6 67.3 11 20 A E G > S+ 0 0 169 1,-0.3 3,-1.9 2,-0.2 35,-0.1 0.827 103.6 66.0 -59.5 -36.4 17.2 29.3 69.5 12 21 A H G 3 S+ 0 0 141 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.597 99.8 52.9 -66.7 -8.5 14.3 27.0 70.5 13 22 A L G < S+ 0 0 16 -3,-1.4 33,-2.9 32,-0.1 2,-0.5 0.369 81.8 115.4-104.7 3.2 14.0 25.8 66.9 14 23 A V B < +a 46 0A 38 -3,-1.9 2,-0.4 31,-0.2 33,-0.2 -0.632 29.0 161.3 -81.5 122.3 17.6 24.9 66.5 15 24 A F - 0 0 68 31,-2.9 2,-2.2 -2,-0.5 30,-0.1 -0.899 32.3-143.7-140.2 103.3 18.3 21.2 65.9 16 25 A D + 0 0 63 -2,-0.4 2,-0.4 31,-0.2 31,-0.1 -0.397 33.6 165.8 -73.4 70.5 21.8 20.5 64.4 17 26 A F - 0 0 10 -2,-2.2 2,-0.7 32,-0.1 32,-0.3 -0.698 26.9-149.0 -88.3 135.0 20.9 17.6 62.1 18 27 A D > - 0 0 47 -2,-0.4 3,-1.6 3,-0.1 -2,-0.0 -0.877 5.5-165.2-108.5 102.4 23.6 16.6 59.4 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.690 90.6 48.2 -59.0 -20.1 21.9 15.2 56.3 20 29 A Y T 3 S+ 0 0 49 1,-0.2 364,-0.3 365,-0.0 -1,-0.3 0.497 130.5 15.3 -98.9 -5.6 25.2 13.8 55.1 21 30 A N S < S- 0 0 102 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.306 79.6-164.8-165.2 68.0 26.3 12.2 58.4 22 31 A P > - 0 0 2 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.279 25.8-122.9 -63.3 143.4 23.4 11.8 60.9 23 32 A S T 3 S+ 0 0 117 1,-0.3 3,-0.4 9,-0.1 9,-0.1 0.854 108.9 42.9 -52.6 -44.8 24.2 11.0 64.5 24 33 A N T > S+ 0 0 80 8,-0.2 3,-1.6 1,-0.2 -1,-0.3 0.002 73.4 126.5 -96.7 31.8 22.1 7.8 64.7 25 34 A L G X + 0 0 33 -3,-1.6 3,-1.8 1,-0.3 357,-0.3 0.805 62.8 67.6 -56.9 -32.9 23.2 6.4 61.4 26 35 A S G 3 S+ 0 0 122 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.749 94.8 56.9 -61.0 -25.8 24.3 3.1 62.9 27 36 A A G < S- 0 0 64 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.514 131.8 -71.8 -83.7 -4.9 20.7 2.2 63.7 28 37 A G <> - 0 0 8 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.3 -0.172 40.7-102.0 121.9 143.0 19.8 2.6 60.1 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 121.7 48.1 -65.0 -40.6 19.4 5.6 57.9 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 113.7 48.2 -64.4 -43.4 15.6 5.8 58.0 31 40 A E H 4 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.860 108.7 56.0 -62.3 -35.6 15.8 5.4 61.8 32 41 A A H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -8,-0.2 0.903 110.0 42.9 -64.1 -43.8 18.5 8.1 61.9 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.785 102.1 70.6 -73.4 -26.3 16.2 10.6 60.1 34 43 A A G >< S+ 0 0 23 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.602 76.4 80.4 -66.6 -11.9 13.3 9.6 62.3 35 44 A V G X S+ 0 0 16 -3,-0.9 3,-1.3 -4,-0.4 -1,-0.3 0.757 80.4 68.8 -66.1 -21.4 14.9 11.2 65.3 36 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.491 95.5 56.5 -74.1 -2.1 13.5 14.4 63.9 37 46 A Q G < S+ 0 0 17 -3,-1.9 -1,-0.3 -4,-0.0 -2,-0.2 0.112 77.0 125.5-116.4 20.8 10.0 13.1 64.7 38 47 A E S X S- 0 0 105 -3,-1.3 3,-2.2 1,-0.1 -3,-0.0 -0.381 77.9 -96.0 -76.2 160.2 10.5 12.5 68.5 39 48 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.756 120.2 50.8 -46.3 -37.7 8.0 14.0 71.0 40 49 A N T 3 S+ 0 0 123 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.310 88.7 100.1 -89.3 10.0 10.2 17.1 71.8 41 50 A V < - 0 0 13 -3,-2.2 -28,-0.1 -6,-0.1 4,-0.1 -0.852 68.3-129.0-105.1 128.2 10.8 18.2 68.2 42 51 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.161 26.7-110.1 -63.7 161.3 8.9 21.0 66.4 43 52 A D S S+ 0 0 55 1,-0.2 14,-2.8 256,-0.1 15,-0.4 0.800 108.8 32.0 -62.8 -30.5 7.2 20.5 63.0 44 53 A L E S+ B 0 56A 7 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.983 76.3 172.8-134.1 121.8 9.9 22.9 61.5 45 54 A V E - B 0 55A 1 10,-1.9 10,-2.0 -2,-0.4 2,-0.4 -0.780 24.9-130.0-124.9 168.2 13.4 23.2 62.7 46 55 A W E -aB 14 54A 10 -33,-2.9 -31,-2.9 -2,-0.3 2,-0.4 -0.971 16.3-162.3-120.8 131.6 16.7 24.9 61.7 47 56 A T E - B 0 53A 0 6,-2.6 6,-2.0 -2,-0.4 -31,-0.2 -0.924 15.4-153.0-113.3 141.0 20.1 23.1 61.5 48 57 A R > + 0 0 80 -2,-0.4 -45,-2.7 4,-0.2 3,-0.6 0.490 66.1 107.6 -87.6 -3.1 23.4 25.0 61.5 49 58 A C G > S+ 0 0 13 -32,-0.3 3,-2.3 1,-0.2 -2,-0.1 -0.318 77.1 15.0 -73.2 156.5 25.0 22.1 59.6 50 59 A N G 3 S- 0 0 46 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.811 142.0 -43.8 48.3 41.6 25.9 22.3 55.9 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.208 105.2 -74.0 93.9 -14.8 25.6 26.1 55.7 52 61 A G < + 0 0 6 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.482 64.3 161.7 94.3 123.3 22.4 26.3 57.7 53 62 A H E -B 47 0A 0 -6,-2.0 -6,-2.6 254,-0.1 256,-0.2 -0.986 35.7 -99.8-167.0 160.4 18.9 25.5 56.5 54 63 A W E -Bc 46 309A 1 254,-2.7 256,-2.4 -2,-0.3 2,-0.3 -0.399 27.4-156.9 -82.0 163.4 15.3 24.6 57.5 55 64 A I E -Bc 45 310A 0 -10,-2.0 -10,-1.9 254,-0.2 2,-0.5 -0.941 9.2-146.4-145.3 118.5 13.9 21.1 57.7 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.3 259,-0.1 -0.755 16.5-175.0 -83.4 127.7 10.2 20.2 57.5 57 66 A T + 0 0 0 -14,-2.8 2,-0.4 -2,-0.5 -13,-0.1 0.395 55.3 63.3-107.6 2.0 9.7 17.1 59.7 58 67 A R S >> S- 0 0 8 -15,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.970 77.6-123.6-131.2 145.9 6.0 16.2 59.1 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.8 256,-0.3 5,-0.3 0.837 108.2 60.1 -52.2 -39.7 4.1 15.1 56.0 60 69 A Q H 3> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 111.2 39.4 -57.7 -45.7 1.6 17.9 56.3 61 70 A L H <> S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.878 113.7 54.7 -72.5 -38.4 4.3 20.6 55.9 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.930 111.3 44.5 -61.9 -45.1 6.3 18.6 53.3 63 72 A R H X S+ 0 0 50 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.913 111.9 52.9 -66.3 -41.8 3.2 18.3 51.1 64 73 A E H X S+ 0 0 56 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.922 109.8 48.1 -59.8 -45.6 2.2 22.0 51.5 65 74 A A H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.891 109.9 51.3 -64.2 -40.6 5.7 23.2 50.5 66 75 A Y H < S+ 0 0 7 -4,-1.8 279,-0.5 -5,-0.2 -1,-0.2 0.796 111.7 48.7 -68.5 -25.1 5.8 21.0 47.4 67 76 A E H < S+ 0 0 114 -4,-1.6 2,-1.4 1,-0.2 -2,-0.2 0.855 100.8 66.5 -80.7 -35.3 2.4 22.3 46.3 68 77 A D >X + 0 0 43 -4,-1.9 4,-2.4 1,-0.2 3,-0.8 -0.571 54.4 160.4 -90.9 75.9 3.2 26.0 46.8 69 78 A Y T 34 + 0 0 64 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.620 67.0 70.9 -70.8 -13.1 5.9 26.6 44.2 70 79 A R T 34 S+ 0 0 176 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.857 114.5 23.7 -72.0 -33.9 5.2 30.3 44.3 71 80 A H T <4 S+ 0 0 53 -3,-0.8 222,-2.0 1,-0.2 2,-0.7 0.767 127.1 49.5 -97.9 -33.6 6.9 30.5 47.8 72 81 A F E < S-D 292 0A 1 -4,-2.4 -1,-0.2 -7,-0.2 220,-0.2 -0.845 80.0-165.2-113.2 96.0 9.1 27.4 47.6 73 82 A S E > -D 291 0A 4 218,-2.5 218,-2.0 -2,-0.7 3,-0.5 -0.517 25.8-147.3 -85.7 146.1 11.1 27.4 44.3 74 83 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.1 216,-0.2 215,-0.1 0.359 77.0 100.4 -87.5 3.4 13.0 24.6 42.6 75 84 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.835 97.6 22.5 -58.5 -33.5 15.6 27.0 41.2 76 85 A C S < S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.739 78.5 156.3-134.6 80.8 18.1 26.1 44.0 77 86 A P + 0 0 3 0, 0.0 212,-2.3 0, 0.0 2,-0.3 0.399 45.8 75.8 -92.1 0.2 16.9 22.6 45.2 78 87 A F S S- 0 0 18 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.876 74.4-112.0-117.3 150.3 20.1 21.1 46.8 79 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.940 91.1 57.0-114.5 138.0 21.9 21.7 50.0 80 89 A P S >> S- 0 0 30 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.515 88.9-126.2 -67.9 165.3 24.6 23.0 50.5 81 90 A R H 3> S+ 0 0 84 -31,-0.3 4,-2.5 1,-0.3 5,-0.2 0.816 107.3 61.0 -52.3 -37.6 23.8 26.3 48.7 82 91 A E H 3> S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.892 108.5 44.2 -58.4 -40.7 26.8 26.0 46.4 83 92 A A H <> S+ 0 0 6 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.911 112.3 51.2 -70.8 -44.1 25.4 22.8 45.0 84 93 A G H < S+ 0 0 0 -4,-2.0 -2,-0.2 -6,-0.6 -1,-0.2 0.863 110.1 50.4 -62.3 -35.3 21.9 24.2 44.7 85 94 A E H < S+ 0 0 137 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.893 113.2 44.3 -70.6 -39.0 23.1 27.2 42.8 86 95 A A H < S+ 0 0 23 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.746 90.2 105.2 -75.5 -24.9 25.1 25.1 40.3 87 96 A Y < + 0 0 14 -4,-1.9 -9,-0.1 1,-0.1 98,-0.0 -0.413 33.3 152.2 -62.2 117.0 22.2 22.7 39.9 88 97 A D + 0 0 39 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.131 14.3 146.4-136.1 24.4 20.5 23.4 36.6 89 98 A F > - 0 0 4 3,-0.1 4,-2.3 145,-0.1 143,-0.2 -0.212 50.0 -92.0 -62.5 152.3 19.0 20.1 35.4 90 99 A I T 4 S+ 0 0 0 141,-1.6 145,-0.2 1,-0.2 -1,-0.1 -0.955 98.9 1.3-115.4 135.2 15.7 20.1 33.4 91 100 A P T >4 S+ 0 0 10 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.995 124.7 64.1 -87.5 -3.5 12.9 19.9 34.5 92 101 A T T 34 S+ 0 0 32 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.690 99.9 51.3 -55.9 -27.0 13.9 19.8 38.2 93 102 A S T 3< S+ 0 0 14 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.3 0.356 101.2 80.3 -94.1 9.1 15.5 23.3 38.4 94 103 A M < - 0 0 11 -3,-2.0 -6,-0.0 -5,-0.1 -5,-0.0 -0.842 64.3-146.7-116.5 151.6 12.5 25.0 36.9 95 104 A D > - 0 0 36 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.699 43.9 -59.2-106.6 162.6 9.1 26.1 38.4 96 105 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.475 111.5 39.4 -69.9 156.2 5.8 26.2 36.5 97 106 A P T >> S+ 0 0 114 0, 0.0 3,-0.7 0, 0.0 4,-0.5 -0.955 127.0 34.6 -80.3 -24.5 4.9 27.5 34.0 98 107 A E T 34 S+ 0 0 106 -3,-0.3 3,-0.4 1,-0.2 4,-0.4 0.815 112.3 63.4 -58.9 -31.2 8.1 27.1 32.1 99 108 A Q T >X S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 4,-0.5 0.887 89.7 67.9 -58.9 -43.9 8.8 23.7 33.7 100 109 A R H X> S+ 0 0 132 -3,-0.7 3,-1.2 1,-0.3 4,-0.7 0.798 86.8 62.3 -50.5 -44.1 5.7 21.9 32.2 101 110 A Q H 3< S+ 0 0 46 -4,-0.5 4,-0.5 -3,-0.4 119,-0.4 0.757 101.4 55.2 -58.5 -25.1 6.6 21.9 28.5 102 111 A F H <> S+ 0 0 2 -3,-1.5 4,-1.7 -4,-0.4 -1,-0.2 0.693 90.3 72.8 -83.1 -19.4 9.7 19.7 29.2 103 112 A R H > S+ 0 0 3 -4,-0.5 4,-0.7 1,-0.2 3,-0.5 0.926 111.0 49.6 -67.7 -43.6 9.6 15.0 26.2 106 115 A A H >X S+ 0 0 3 -4,-1.7 4,-1.4 1,-0.2 3,-1.0 0.867 105.9 58.3 -62.2 -35.1 11.1 13.3 29.2 107 116 A N H 3X S+ 0 0 63 -4,-2.2 4,-2.1 1,-0.2 7,-0.4 0.830 96.8 63.2 -64.2 -30.6 8.0 11.0 29.3 108 117 A Q H << S+ 0 0 107 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.766 111.7 35.3 -63.9 -28.2 8.8 9.9 25.7 109 118 A V H << S+ 0 0 3 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.625 136.4 15.6-105.2 -14.1 12.1 8.4 26.8 110 119 A V H < S+ 0 0 15 -4,-1.4 243,-0.4 100,-0.1 -3,-0.2 0.376 98.1 111.3-136.4 -0.0 11.3 7.0 30.3 111 120 A G S >X S- 0 0 0 -4,-2.1 4,-1.5 -5,-0.4 3,-0.5 0.070 85.8 -82.8 -69.2-177.7 7.5 6.9 30.4 112 121 A M H 3> S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.900 125.5 58.2 -54.4 -48.9 5.1 4.0 30.5 113 122 A P H 3> S+ 0 0 87 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.882 107.8 48.6 -51.1 -39.9 5.1 3.5 26.7 114 123 A V H X> S+ 0 0 13 -3,-0.5 4,-1.2 -7,-0.4 3,-0.8 0.836 100.3 62.9 -69.4 -35.9 8.9 3.0 26.9 115 124 A V H 3< S+ 0 0 2 -4,-1.5 4,-0.4 -3,-0.4 -1,-0.2 0.780 101.8 55.3 -60.1 -23.7 8.6 0.5 29.7 116 125 A D H 3< S+ 0 0 105 -4,-1.1 4,-0.3 -3,-0.5 -1,-0.3 0.777 101.6 55.8 -78.4 -28.7 6.7 -1.6 27.2 117 126 A K H << S+ 0 0 127 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.742 117.2 35.0 -74.8 -24.4 9.6 -1.4 24.7 118 127 A L S X S+ 0 0 13 -4,-1.2 4,-2.5 1,-0.1 5,-0.3 0.363 84.3 110.9-110.1 0.9 12.0 -2.9 27.3 119 128 A E H > S+ 0 0 72 -4,-0.4 4,-1.9 1,-0.2 5,-0.2 0.886 83.0 41.0 -40.6 -59.4 9.6 -5.2 29.0 120 129 A N H > S+ 0 0 129 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.868 113.9 52.3 -62.3 -40.2 11.2 -8.4 27.7 121 130 A R H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 108.7 50.3 -66.4 -37.5 14.8 -7.2 28.2 122 131 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.939 113.2 46.3 -64.1 -48.1 14.2 -6.3 31.8 123 132 A Q H X S+ 0 0 67 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.942 113.6 49.2 -58.6 -50.9 12.7 -9.7 32.5 124 133 A E H X S+ 0 0 123 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.909 111.5 47.6 -57.3 -48.2 15.5 -11.5 30.7 125 134 A L H X S+ 0 0 36 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.885 110.5 51.6 -64.0 -40.9 18.3 -9.7 32.5 126 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.963 113.4 43.5 -61.2 -52.3 16.8 -10.1 36.0 127 136 A C H X S+ 0 0 25 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.906 114.1 52.5 -59.6 -42.4 16.4 -13.9 35.5 128 137 A S H X S+ 0 0 73 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.938 110.9 44.5 -60.2 -51.5 19.9 -14.2 34.0 129 138 A L H X S+ 0 0 24 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.885 115.7 47.8 -63.2 -39.5 21.7 -12.4 36.8 130 139 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 3,-0.4 0.916 108.4 52.4 -70.4 -42.9 19.9 -14.2 39.5 131 140 A E H < S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 107.0 55.4 -61.7 -33.2 20.3 -17.7 38.0 132 141 A S H < S+ 0 0 77 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.833 113.6 39.5 -68.3 -32.9 24.1 -17.0 37.7 133 142 A L H >X>S+ 0 0 14 -4,-1.1 3,-2.1 -3,-0.4 4,-0.7 0.839 96.6 82.3 -84.2 -35.3 24.3 -16.2 41.5 134 143 A R G ><5S+ 0 0 39 -4,-2.6 3,-0.9 1,-0.3 -2,-0.1 0.795 91.1 46.3 -38.0 -54.5 21.9 -19.0 42.7 135 144 A P G 345S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.673 100.4 71.4 -68.9 -15.5 24.4 -21.9 42.7 136 145 A Q G <45S- 0 0 103 -3,-2.1 -2,-0.2 -4,-0.2 261,-0.1 0.771 88.4-144.2 -70.4 -29.5 27.1 -19.8 44.5 137 146 A G T <<5S+ 0 0 9 -3,-0.9 260,-2.0 -4,-0.7 2,-0.3 0.659 73.6 50.5 71.6 15.1 25.2 -19.8 47.8 138 147 A Q E < +F 396 0B 119 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.963 56.9 172.2-173.2 157.1 26.5 -16.2 48.3 139 148 A C E -F 395 0B 6 256,-1.9 256,-2.7 -2,-0.3 2,-0.9 -0.985 39.8-119.8-167.0 163.1 26.7 -12.7 46.8 140 149 A N E > -F 394 0B 79 -2,-0.3 4,-2.9 254,-0.2 3,-0.5 -0.887 36.8-163.5-107.6 89.1 27.7 -9.1 47.4 141 150 A F H >>S+ 0 0 0 252,-2.0 5,-2.5 -2,-0.9 4,-1.8 0.807 77.9 58.6 -48.8 -41.5 24.2 -7.8 46.5 142 151 A T H 4>S+ 0 0 15 1,-0.2 5,-1.6 3,-0.2 -1,-0.2 0.942 121.8 23.1 -59.1 -49.1 25.1 -4.2 46.0 143 152 A E H 45S+ 0 0 116 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.733 123.5 54.2 -90.8 -20.8 27.7 -4.9 43.2 144 153 A D H <5S- 0 0 46 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.701 134.3 -13.6 -86.2 -20.7 26.3 -8.2 42.0 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -3,-0.2 0.481 122.2 65.5-144.4 -52.2 22.7 -7.2 41.3 146 155 A A T 4 S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.809 108.3 56.6 -55.3 -35.2 24.2 -4.0 37.3 149 158 A F H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 5,-0.1 0.994 117.6 27.7 -64.2 -63.7 20.4 -4.7 36.9 150 159 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 122.9 53.1 -66.7 -38.1 19.0 -1.2 36.8 151 160 A I H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.917 107.6 48.0 -64.8 -44.6 22.2 0.4 35.4 152 161 A R H X S+ 0 0 87 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.859 110.7 53.3 -66.1 -32.1 22.6 -1.9 32.4 153 162 A I H X S+ 0 0 7 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.932 110.8 46.7 -66.7 -43.1 18.9 -1.4 31.5 154 163 A F H X S+ 0 0 12 -4,-2.1 4,-2.3 86,-0.2 -2,-0.2 0.904 110.5 51.4 -65.3 -41.6 19.4 2.4 31.6 155 164 A M H X>S+ 0 0 1 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.870 109.8 51.4 -63.9 -34.7 22.6 2.2 29.5 156 165 A L H ><5S+ 0 0 80 -4,-1.8 3,-1.0 -5,-0.2 -2,-0.2 0.957 110.8 47.4 -64.8 -49.9 20.7 0.1 26.9 157 166 A L H 3<5S+ 0 0 13 -4,-2.3 53,-2.7 1,-0.3 -2,-0.2 0.856 116.6 43.9 -59.5 -36.3 17.9 2.6 26.8 158 167 A A H 3<5S- 0 0 2 -4,-2.3 53,-0.3 51,-0.2 -1,-0.3 0.494 108.4-123.0 -88.9 -4.9 20.4 5.5 26.4 159 168 A G T <<5 + 0 0 34 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.881 61.6 143.4 65.1 39.8 22.6 3.7 23.9 160 169 A L < - 0 0 10 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.877 55.6-102.8-113.5 144.3 25.7 4.1 26.0 161 170 A P > - 0 0 58 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.406 20.1-135.1 -67.0 133.9 28.6 1.5 26.3 162 171 A E G > S+ 0 0 104 1,-0.3 3,-1.6 2,-0.2 -7,-0.0 0.746 101.5 71.1 -61.0 -22.2 28.6 -0.5 29.6 163 172 A E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.658 89.9 62.4 -69.7 -12.0 32.3 0.0 29.9 164 173 A D G <> S+ 0 0 44 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.487 77.6 93.8 -88.5 -4.2 31.5 3.7 30.7 165 174 A I H <> S+ 0 0 33 -3,-1.6 4,-3.1 1,-0.2 5,-0.4 0.912 76.8 55.5 -57.3 -48.4 29.6 2.7 33.9 166 175 A P H > S+ 0 0 95 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.920 113.1 42.3 -53.1 -44.7 32.4 3.0 36.4 167 176 A H H > S+ 0 0 101 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.946 117.4 45.3 -66.4 -49.6 33.1 6.6 35.4 168 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.891 112.6 50.8 -62.9 -41.5 29.5 7.7 35.2 169 178 A K H X S+ 0 0 23 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.883 108.8 52.0 -65.2 -39.3 28.5 6.0 38.5 170 179 A Y H X S+ 0 0 90 -4,-1.7 4,-1.2 -5,-0.4 -1,-0.2 0.943 111.8 46.1 -62.0 -47.0 31.4 7.7 40.3 171 180 A L H X S+ 0 0 4 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.894 111.1 51.7 -62.6 -42.0 30.3 11.1 39.0 172 181 A T H >X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.8 0.923 107.2 53.4 -62.2 -43.9 26.7 10.6 39.8 173 182 A D H 3X S+ 0 0 29 -4,-2.2 4,-2.8 1,-0.3 3,-0.3 0.775 99.6 62.3 -63.3 -26.5 27.5 9.6 43.4 174 183 A Q H 3< S+ 0 0 9 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.717 101.9 52.6 -72.9 -16.7 29.5 12.8 43.9 175 184 A M H << S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.706 123.5 25.1 -88.0 -21.5 26.3 14.8 43.4 176 185 A T H < S+ 0 0 3 -4,-0.8 210,-2.3 -3,-0.3 211,-0.3 0.746 140.1 14.8-110.8 -36.6 24.3 12.8 46.0 177 186 A R S < S- 0 0 29 -4,-2.8 -2,-0.1 208,-0.2 -1,-0.1 -0.474 81.2-161.9-140.1 63.5 26.8 11.4 48.5 178 187 A P - 0 0 59 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.146 16.2-155.6 -53.5 136.4 30.1 13.3 47.9 179 188 A D - 0 0 97 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.513 51.1-103.7 -88.5 -7.3 33.3 11.7 49.3 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.0 -6,-0.1 -6,-0.0 0.172 101.1 98.2 107.3 -17.5 35.0 15.2 49.4 181 190 A S S S+ 0 0 75 1,-0.1 2,-0.3 2,-0.0 -7,-0.0 0.699 88.9 34.2 -76.1 -19.9 37.2 14.9 46.3 182 191 A M S S- 0 0 46 -8,-0.1 -2,-0.4 -11,-0.0 2,-0.1 -0.994 72.2-135.8-138.3 143.6 34.8 16.8 44.1 183 192 A T > - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.453 37.3-105.9 -86.3 167.9 32.3 19.6 44.5 184 193 A F H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 121.7 52.9 -59.2 -45.6 28.8 19.3 43.0 185 194 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 108.8 48.5 -58.3 -41.6 29.7 21.8 40.3 186 195 A E H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 112.6 48.3 -68.2 -38.8 32.9 19.9 39.3 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 111.9 49.9 -66.9 -42.7 31.0 16.6 39.1 188 197 A K H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 109.7 50.6 -62.4 -43.6 28.2 18.2 37.0 189 198 A E H X S+ 0 0 104 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.872 108.7 52.0 -64.7 -34.6 30.7 19.7 34.6 190 199 A A H X S+ 0 0 24 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.872 109.3 50.3 -68.8 -34.4 32.4 16.4 34.2 191 200 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 112.4 46.4 -68.4 -41.8 29.0 14.8 33.4 192 201 A Y H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.868 105.7 59.9 -67.5 -34.6 28.3 17.5 30.8 193 202 A D H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.2 45.4 -59.1 -37.5 31.9 17.1 29.4 194 203 A Y H X S+ 0 0 38 -4,-1.4 4,-0.6 1,-0.1 -2,-0.2 0.940 117.5 42.2 -70.1 -48.6 30.8 13.5 28.7 195 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.826 95.2 76.3 -71.1 -37.9 27.4 14.3 27.2 196 205 A I H X S+ 0 0 89 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.876 100.0 39.6 -42.5 -58.3 28.2 17.4 25.0 197 206 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.859 114.9 54.1 -65.2 -34.3 29.9 15.5 22.1 198 207 A I H X S+ 0 0 37 -4,-0.6 4,-2.1 -3,-0.2 -2,-0.2 0.913 108.1 49.0 -65.2 -44.6 27.4 12.7 22.2 199 208 A I H X S+ 0 0 4 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.906 112.4 48.5 -62.5 -42.4 24.4 15.0 21.9 200 209 A E H X S+ 0 0 89 -4,-1.8 4,-1.2 -5,-0.3 3,-0.5 0.913 110.8 50.4 -66.1 -42.0 26.0 16.8 18.9 201 210 A Q H X S+ 0 0 119 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.884 112.6 46.4 -63.9 -37.8 26.8 13.6 17.1 202 211 A R H < S+ 0 0 43 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.617 107.2 56.3 -82.1 -11.4 23.2 12.3 17.6 203 212 A R H < S+ 0 0 76 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.716 113.4 43.4 -85.5 -23.8 21.7 15.6 16.5 204 213 A Q H < S+ 0 0 135 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.882 132.8 19.4 -83.6 -43.3 23.7 15.2 13.3 205 214 A K S < S- 0 0 128 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.761 88.9-150.7-131.7 83.8 22.9 11.5 12.9 206 215 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.153 15.3-177.0 -57.3 143.4 19.8 10.6 14.9 207 216 A G - 0 0 38 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.487 39.0-104.3-123.2-165.1 19.2 7.1 16.4 208 217 A T S S+ 0 0 121 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.360 81.2 109.6-108.1 2.2 16.3 5.6 18.3 209 218 A D S > S- 0 0 28 -51,-0.1 4,-2.1 1,-0.1 -51,-0.2 -0.251 84.7 -99.5 -74.0 165.8 17.9 5.7 21.8 210 219 A A H > S+ 0 0 6 -53,-2.7 4,-2.1 1,-0.2 5,-0.2 0.829 121.1 51.3 -56.8 -39.8 16.9 8.1 24.6 211 220 A I H > S+ 0 0 4 -53,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.910 109.9 50.1 -68.0 -38.8 19.6 10.6 24.0 212 221 A S H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.901 110.9 49.6 -64.0 -40.9 18.7 10.9 20.3 213 222 A I H < S+ 0 0 47 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.920 114.8 43.0 -65.7 -44.1 15.1 11.4 21.1 214 223 A V H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.957 113.1 52.1 -65.9 -48.1 15.7 14.1 23.6 215 224 A A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.732 118.9 35.5 -61.2 -27.2 18.4 15.9 21.5 216 225 A N T 3< S+ 0 0 73 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.164 98.5 117.6-111.1 14.6 16.1 16.0 18.4 217 226 A G < - 0 0 11 -3,-1.6 7,-1.9 -4,-0.1 2,-0.3 -0.154 57.8-126.8 -79.5 174.8 12.9 16.6 20.4 218 227 A Q E -H 223 0C 128 5,-0.2 2,-0.5 -116,-0.0 -2,-0.1 -0.906 7.1-147.8-121.3 150.3 10.5 19.5 20.4 219 228 A V E > S-H 222 0C 0 3,-3.3 3,-1.7 -2,-0.3 -117,-0.1 -0.969 81.1 -29.8-120.5 110.8 9.2 21.5 23.4 220 229 A N T 3 S- 0 0 129 -2,-0.5 -1,-0.1 -119,-0.4 -118,-0.1 0.921 129.7 -41.7 43.5 54.9 5.6 22.8 22.9 221 230 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.379 121.2 93.0 81.1 -4.0 6.1 23.0 19.1 222 231 A R E < S-H 219 0C 86 -3,-1.7 -3,-3.3 1,-0.0 -1,-0.2 -0.912 82.0 -90.7-123.9 152.1 9.6 24.4 18.9 223 232 A P E -H 218 0C 99 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.249 39.1-121.5 -57.9 139.2 13.0 22.8 18.6 224 233 A I - 0 0 6 -7,-1.9 2,-0.1 -10,-0.1 3,-0.0 -0.550 29.8-120.9 -78.7 149.3 14.9 22.0 21.8 225 234 A T > - 0 0 60 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.492 17.8-114.0 -88.7 162.4 18.3 23.6 22.1 226 235 A S H > S+ 0 0 48 1,-0.2 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