==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAY-02 1IWK . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.NAGANO,H.SHIMADA,A.TARUMI,T.HISHIKI,Y.KIMATA-ARIGA, . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 67.2 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 . 31 7.7 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 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 2 1 2 0 0 2 0 2 1 1 1 0 1 0 1 0 0 1 1 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 3 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 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 0 195 0, 0.0 49,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 89.3 46.5 25.9 32.4 2 11 A L - 0 0 80 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.818 360.0-134.1-101.6 135.2 44.7 23.6 30.1 3 12 A A - 0 0 28 45,-2.7 49,-0.0 -2,-0.4 46,-0.0 -0.606 37.8 -89.2 -85.9 146.9 40.9 23.8 29.6 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.256 51.4 -99.7 -55.9 135.4 38.8 20.6 29.6 5 14 A L - 0 0 56 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.354 38.3-119.5 -61.5 125.6 38.4 19.0 26.2 6 15 A P > - 0 0 31 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.249 23.8-111.5 -63.1 154.4 35.1 19.8 24.5 7 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.810 113.8 51.7 -56.8 -33.1 32.8 16.9 23.6 8 17 A H T 3 S+ 0 0 39 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.458 85.6 98.3 -87.4 -0.1 33.2 17.4 19.8 9 18 A V S < S- 0 0 8 -3,-1.4 2,-0.1 292,-0.1 5,-0.1 -0.785 72.0-131.9 -96.0 113.9 37.0 17.5 19.7 10 19 A P > - 0 0 50 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.381 16.0-129.8 -61.6 131.4 38.7 14.2 18.7 11 20 A E G > S+ 0 0 173 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.771 105.7 59.5 -53.2 -30.2 41.6 13.4 21.1 12 21 A H G 3 S+ 0 0 145 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.611 96.1 61.5 -78.1 -10.2 44.0 12.9 18.2 13 22 A L G < S+ 0 0 14 -3,-2.2 33,-2.4 32,-0.1 2,-0.4 0.365 82.0 114.8 -94.7 6.6 43.5 16.4 17.0 14 23 A V B < +a 46 0A 37 -3,-1.1 2,-0.3 31,-0.2 33,-0.2 -0.623 28.7 158.5 -85.7 132.4 44.9 17.8 20.2 15 24 A F - 0 0 58 31,-2.9 2,-1.8 -2,-0.4 30,-0.1 -0.849 33.4-141.9-150.9 106.1 48.1 19.8 20.4 16 25 A D + 0 0 59 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.508 34.7 164.1 -78.6 81.0 48.6 22.1 23.4 17 26 A F - 0 0 9 -2,-1.8 2,-0.7 32,-0.1 32,-0.3 -0.815 26.8-151.3 -99.1 132.4 50.3 25.1 21.8 18 27 A D > - 0 0 41 -2,-0.4 3,-1.6 3,-0.2 -2,-0.0 -0.880 4.0-164.5-108.7 102.7 50.4 28.4 23.8 19 28 A M T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.675 91.2 50.5 -58.7 -17.6 50.5 31.4 21.4 20 29 A Y T 3 S+ 0 0 45 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.587 128.9 16.4 -97.0 -11.8 51.5 33.6 24.3 21 30 A N S < S- 0 0 105 -3,-1.6 -1,-0.2 362,-0.1 -3,-0.2 -0.361 78.7-170.5-158.1 66.6 54.4 31.4 25.5 22 31 A P > - 0 0 1 0, 0.0 3,-1.0 0, 0.0 11,-0.1 -0.247 29.5-116.8 -61.6 153.0 55.4 28.8 22.9 23 32 A S T 3 S+ 0 0 117 1,-0.2 3,-0.4 9,-0.2 2,-0.2 0.929 105.6 40.6 -58.1 -58.6 57.8 26.1 24.0 24 33 A N T > S+ 0 0 99 8,-0.3 3,-2.0 1,-0.2 4,-0.3 -0.041 70.2 134.4 -87.6 36.4 60.9 26.6 21.9 25 34 A L G X + 0 0 32 -3,-1.0 3,-2.3 1,-0.3 357,-0.3 0.825 61.9 70.4 -51.8 -34.8 60.8 30.4 22.1 26 35 A S G 3 S+ 0 0 124 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.788 94.7 54.4 -54.0 -31.6 64.6 30.4 22.9 27 36 A A G < S- 0 0 54 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.519 131.6 -71.8 -81.7 -6.4 65.3 29.4 19.3 28 37 A G <> - 0 0 6 -3,-2.3 4,-2.3 -4,-0.3 -1,-0.3 -0.209 40.3-101.1 123.1 143.5 63.3 32.3 17.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.916 121.0 49.7 -64.7 -42.1 59.6 33.1 17.8 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 113.2 47.4 -61.2 -44.6 59.1 32.1 14.1 31 40 A E H 4 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.895 109.4 55.2 -61.6 -40.1 61.0 28.8 14.8 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -8,-0.3 0.872 111.2 43.2 -61.4 -39.7 58.8 28.3 17.9 33 42 A W H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.817 100.8 70.6 -76.3 -31.9 55.6 28.6 15.9 34 43 A A G >< S+ 0 0 23 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.573 75.8 81.7 -63.1 -10.5 56.9 26.4 13.0 35 44 A V G X S+ 0 0 38 -3,-0.7 3,-1.6 -4,-0.4 -1,-0.3 0.789 80.2 68.5 -65.4 -23.4 56.7 23.3 15.3 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.585 94.5 58.0 -69.0 -9.4 53.0 23.3 14.3 37 46 A Q G < S+ 0 0 6 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.211 78.6 121.8-106.5 14.5 54.2 22.4 10.8 38 47 A E S X S- 0 0 100 -3,-1.6 3,-1.9 1,-0.1 -3,-0.0 -0.347 77.9-108.2 -72.5 159.0 56.0 19.2 11.8 39 48 A S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.811 117.1 60.6 -57.5 -32.7 55.0 15.9 10.2 40 49 A N T 3 S+ 0 0 114 2,-0.0 -1,-0.3 1,-0.0 -4,-0.0 0.456 90.7 83.9 -77.1 0.1 53.5 14.7 13.5 41 50 A V S < S- 0 0 6 -3,-1.9 4,-0.1 -6,-0.1 -28,-0.1 -0.905 77.3-129.9-111.3 122.4 51.0 17.6 13.5 42 51 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.155 28.7-108.8 -60.1 163.4 47.6 17.5 11.6 43 52 A D S S+ 0 0 63 1,-0.2 14,-3.4 13,-0.1 2,-0.5 0.834 109.0 35.8 -63.8 -32.7 46.7 20.4 9.4 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.2 13,-0.1 12,-0.2 -0.976 79.3 170.4-127.2 117.5 44.0 21.5 11.8 45 54 A V E - B 0 55A 0 10,-2.5 10,-2.4 -2,-0.5 2,-0.4 -0.739 27.2-133.9-123.9 172.7 44.5 21.1 15.5 46 55 A W E -aB 14 54A 11 -33,-2.4 -31,-2.9 8,-0.3 2,-0.3 -0.993 16.1-163.2-127.8 131.1 43.0 22.1 18.8 47 56 A T E - B 0 53A 0 6,-2.7 6,-1.9 -2,-0.4 -31,-0.2 -0.865 14.6-151.5-112.3 149.3 44.9 23.4 21.8 48 57 A R > + 0 0 77 -2,-0.3 -45,-2.7 4,-0.2 3,-0.6 0.412 65.7 104.5 -98.7 -0.6 43.6 23.5 25.3 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.3 1,-0.2 -47,-0.1 -0.355 79.0 18.7 -77.3 161.6 45.7 26.5 26.3 50 59 A N G 3 S- 0 0 46 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.807 142.1 -45.6 47.2 41.0 44.2 30.0 26.6 51 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.264 102.2 -73.3 93.0 -12.8 40.6 28.7 26.9 52 61 A G < + 0 0 6 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.578 65.1 157.8 91.8 118.9 40.7 26.2 24.1 53 62 A H E -B 47 0A 2 -6,-1.9 -6,-2.7 -4,-0.1 256,-0.2 -0.982 37.2 -98.9-163.8 165.2 40.6 26.9 20.4 54 63 A W E -Bc 46 309A 0 254,-2.6 256,-2.8 -2,-0.3 2,-0.3 -0.460 26.4-159.6 -87.7 163.5 41.5 25.6 16.9 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-2.5 254,-0.2 2,-0.5 -0.952 9.7-147.3-146.4 122.2 44.6 26.4 14.9 56 65 A A E -B 44 0A 0 254,-2.2 -12,-0.2 -2,-0.3 -13,-0.1 -0.817 13.3-171.5 -89.8 127.2 45.0 26.0 11.2 57 66 A T + 0 0 0 -14,-3.4 2,-0.4 -2,-0.5 -13,-0.1 0.415 54.9 74.4-101.3 0.8 48.7 25.1 10.5 58 67 A R S > S- 0 0 6 -15,-0.4 4,-2.6 1,-0.1 3,-0.2 -0.916 73.4-130.7-122.5 146.0 48.8 25.3 6.7 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.5 256,-0.3 5,-0.2 0.883 107.3 57.1 -53.6 -43.6 48.9 28.1 4.2 60 69 A Q H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 112.3 39.5 -55.0 -49.4 46.1 26.6 2.1 61 70 A L H > S+ 0 0 8 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.909 112.3 55.6 -69.2 -44.2 43.7 26.4 5.0 62 71 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.925 111.6 45.0 -54.5 -46.7 44.6 29.8 6.5 63 72 A R H X S+ 0 0 48 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.914 112.9 50.5 -63.8 -45.3 43.9 31.4 3.1 64 73 A E H >X S+ 0 0 72 -4,-2.0 4,-1.5 -5,-0.2 3,-0.6 0.934 110.5 48.4 -59.2 -50.2 40.6 29.5 2.7 65 74 A A H 3< S+ 0 0 0 -4,-3.0 7,-0.3 1,-0.2 -1,-0.2 0.865 111.2 51.1 -59.1 -38.9 39.3 30.4 6.1 66 75 A Y H 3< S+ 0 0 7 -4,-1.8 279,-0.4 -5,-0.3 -1,-0.2 0.738 109.8 49.8 -72.5 -23.1 40.2 34.1 5.5 67 76 A E H << S+ 0 0 122 -4,-1.3 2,-1.0 -3,-0.6 -1,-0.2 0.735 101.3 68.3 -85.3 -23.9 38.4 34.1 2.2 68 77 A D >X + 0 0 37 -4,-1.5 4,-2.2 1,-0.2 3,-0.6 -0.665 51.0 158.8 -99.9 79.6 35.2 32.6 3.7 69 78 A Y T 34 + 0 0 75 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.687 65.8 75.6 -73.4 -16.7 33.8 35.3 6.0 70 79 A R T 34 S+ 0 0 173 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.892 114.5 19.4 -61.0 -40.0 30.4 33.6 5.9 71 80 A H T <4 S+ 0 0 52 -3,-0.6 222,-2.2 1,-0.2 2,-0.7 0.776 127.6 51.7 -99.2 -34.4 31.6 30.9 8.2 72 81 A F E < S-D 292 0A 1 -4,-2.2 -1,-0.2 -7,-0.3 2,-0.2 -0.880 78.8-164.4-109.6 100.4 34.7 32.5 9.8 73 82 A S E > -D 291 0A 4 218,-3.0 218,-2.2 -2,-0.7 3,-0.6 -0.580 26.1-144.2 -91.7 149.5 33.7 36.0 11.2 74 83 A S T 3 S+ 0 0 0 -2,-0.2 20,-0.1 1,-0.2 -1,-0.1 0.540 80.6 98.0 -81.0 -12.7 35.9 38.9 12.2 75 84 A E T 3 S+ 0 0 134 1,-0.3 -1,-0.2 216,-0.1 18,-0.1 0.829 96.1 27.0 -45.8 -40.1 33.5 39.8 15.0 76 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 8,-0.1 -0.768 74.6 151.9-128.1 82.2 35.7 37.9 17.5 77 86 A P + 0 0 2 0, 0.0 212,-3.0 0, 0.0 2,-0.3 0.559 48.7 74.9 -90.7 -10.9 39.3 38.0 16.1 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.1 210,-0.1 -0.789 75.5-113.0-108.1 151.2 41.4 37.8 19.3 79 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.959 90.3 53.6-120.1 138.5 42.1 34.9 21.6 80 89 A P S >> S- 0 0 31 0, 0.0 4,-1.8 0, 0.0 3,-1.6 0.528 89.4-123.6 -70.8 162.2 41.3 34.5 24.5 81 90 A R H 3> S+ 0 0 78 -31,-0.3 4,-2.5 1,-0.3 5,-0.2 0.771 108.8 62.6 -42.9 -40.7 37.6 34.9 24.0 82 91 A E H 3> S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.898 107.9 43.0 -56.2 -42.8 37.4 37.7 26.6 83 92 A A H <> S+ 0 0 9 -3,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.946 113.8 50.4 -68.4 -49.8 39.7 39.8 24.4 84 93 A G H < S+ 0 0 0 -4,-1.8 -2,-0.2 -6,-0.6 -1,-0.2 0.817 111.0 49.5 -58.8 -32.6 37.9 38.9 21.2 85 94 A E H < S+ 0 0 142 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.880 112.1 46.8 -74.3 -38.6 34.6 39.9 22.7 86 95 A A H < S+ 0 0 22 -4,-1.7 2,-0.4 -5,-0.2 -2,-0.2 0.667 90.8 106.5 -75.5 -17.0 35.9 43.2 24.0 87 96 A Y < + 0 0 17 -4,-1.4 -9,-0.1 1,-0.1 98,-0.0 -0.503 31.2 150.5 -68.2 119.5 37.4 43.8 20.6 88 97 A D + 0 0 38 -2,-0.4 -1,-0.1 143,-0.1 143,-0.1 0.169 15.9 144.7-137.5 18.7 35.5 46.4 18.7 89 98 A F > - 0 0 4 145,-0.1 4,-2.3 1,-0.1 143,-0.2 -0.261 49.6 -96.8 -61.7 147.4 38.0 48.1 16.4 90 99 A I T 4 S+ 0 0 0 141,-1.2 145,-0.2 1,-0.2 -1,-0.1 -0.935 94.4 5.5-113.4 139.1 36.7 49.2 12.9 91 100 A P T >4 S+ 0 0 5 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.986 123.3 59.3 -93.1 4.4 36.9 47.9 10.3 92 101 A T T 34 S+ 0 0 34 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.806 100.0 56.2 -63.4 -31.5 38.5 44.6 11.5 93 102 A S T 3< S+ 0 0 18 -4,-2.3 2,-0.3 -18,-0.1 -1,-0.3 0.491 100.7 77.0 -79.8 1.1 35.7 43.6 13.8 94 103 A M < - 0 0 14 -3,-1.5 -6,-0.0 -5,-0.2 -5,-0.0 -0.847 69.6-142.3-114.3 149.9 33.2 43.8 11.0 95 104 A D > - 0 0 37 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.613 41.7 -60.0-101.5 160.7 32.5 41.5 8.0 96 105 A P T 4 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.376 111.1 36.2 -71.0 162.2 31.6 42.6 4.5 97 106 A P T >> S+ 0 0 111 0, 0.0 3,-0.8 0, 0.0 4,-0.7 -0.973 128.3 42.9 -74.4 -22.2 29.5 44.1 3.0 98 107 A E H >> S+ 0 0 113 -3,-0.3 3,-0.8 1,-0.2 4,-0.8 0.887 107.7 62.1 -47.4 -49.5 29.5 46.4 6.0 99 108 A Q H 3X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.854 91.1 68.1 -46.5 -46.6 33.3 46.4 6.3 100 109 A R H <> S+ 0 0 161 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.849 93.2 55.8 -44.0 -52.1 33.7 48.0 2.8 101 110 A Q H X S+ 0 0 8 -4,-1.1 3,-0.9 1,-0.2 4,-0.7 0.889 111.3 52.5 -66.7 -42.3 37.6 56.0 4.6 106 115 A A H >X S+ 0 0 1 -4,-2.3 3,-1.3 1,-0.3 4,-1.1 0.899 103.4 58.8 -60.3 -40.7 40.6 54.5 6.5 107 116 A N H 3X S+ 0 0 78 -4,-2.3 4,-1.4 1,-0.3 -1,-0.3 0.759 97.8 63.3 -59.3 -24.8 42.3 54.0 3.1 108 117 A Q H << S+ 0 0 130 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.781 106.4 40.9 -71.9 -29.1 42.0 57.8 2.7 109 118 A V H << S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.585 133.2 19.2 -96.8 -12.7 44.2 58.5 5.7 110 119 A V H < S+ 0 0 9 -4,-1.1 243,-0.4 100,-0.1 242,-0.2 0.235 94.8 122.0-139.5 12.0 46.9 55.9 5.2 111 120 A G S >X S- 0 0 0 -4,-1.4 4,-1.7 -5,-0.2 3,-0.6 -0.033 79.6 -82.7 -70.7 178.9 46.5 54.9 1.6 112 121 A M H 3> S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 124.7 53.6 -50.1 -52.1 49.2 55.2 -1.2 113 122 A P H 3> S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.854 108.5 51.8 -56.3 -35.0 48.8 58.9 -2.0 114 123 A V H <> S+ 0 0 28 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.907 110.6 47.8 -67.2 -42.3 49.3 59.8 1.6 115 124 A V H X S+ 0 0 6 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.920 109.8 52.5 -63.0 -45.1 52.5 57.7 1.7 116 125 A D H < S+ 0 0 97 -4,-2.9 4,-0.4 1,-0.2 3,-0.3 0.871 109.9 50.1 -58.3 -37.3 53.6 59.4 -1.5 117 126 A K H < S+ 0 0 168 -4,-1.7 -1,-0.2 -5,-0.2 3,-0.2 0.844 114.1 43.4 -70.3 -35.0 53.0 62.7 0.2 118 127 A L H >X S+ 0 0 15 -4,-1.8 4,-2.4 1,-0.2 3,-0.5 0.465 83.9 102.4 -91.0 -3.1 55.0 61.7 3.3 119 128 A E H 3X S+ 0 0 57 -4,-1.1 4,-2.8 -3,-0.3 3,-0.3 0.916 80.5 48.1 -44.0 -62.0 57.9 60.1 1.5 120 129 A N H 3> S+ 0 0 138 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.827 113.2 49.7 -52.4 -35.9 60.3 63.0 1.9 121 130 A R H <> S+ 0 0 124 -3,-0.5 4,-2.5 -4,-0.2 -1,-0.2 0.883 110.0 49.4 -72.2 -39.6 59.5 63.2 5.6 122 131 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -3,-0.3 -2,-0.2 0.922 113.3 47.5 -64.0 -43.3 60.0 59.5 6.1 123 132 A Q H X S+ 0 0 61 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.875 111.5 51.6 -65.0 -38.6 63.3 59.7 4.4 124 133 A E H X S+ 0 0 104 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.929 110.7 45.8 -65.4 -48.2 64.3 62.8 6.4 125 134 A L H X S+ 0 0 25 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.901 112.4 51.0 -63.8 -41.6 63.6 61.2 9.8 126 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.965 113.2 45.1 -59.2 -53.6 65.4 58.0 8.9 127 136 A C H X S+ 0 0 29 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.924 114.8 47.9 -56.1 -49.6 68.5 59.8 7.8 128 137 A S H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.940 113.0 47.9 -58.5 -49.7 68.4 62.1 10.8 129 138 A L H X S+ 0 0 12 -4,-2.9 4,-0.6 -5,-0.2 -2,-0.2 0.921 116.5 42.7 -57.2 -48.9 68.0 59.2 13.3 130 139 A I H >X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 3,-1.7 0.947 110.1 54.2 -65.8 -51.3 70.7 57.1 11.8 131 140 A E H 3< S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.5 55.0 -53.2 -34.7 73.2 59.9 11.3 132 141 A S H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.702 114.8 38.3 -73.0 -19.8 72.8 60.7 15.0 133 142 A L H XX S+ 0 0 8 -3,-1.7 3,-1.9 -4,-0.6 4,-0.7 0.771 94.2 85.7 -98.2 -32.4 73.7 57.1 16.0 134 143 A R T 3< S+ 0 0 39 -4,-2.9 3,-0.5 1,-0.3 -2,-0.1 0.754 91.0 45.4 -39.3 -45.2 76.4 56.4 13.4 135 144 A P T 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 98.2 72.7 -79.4 -15.8 79.3 57.9 15.4 136 145 A Q T <4 S- 0 0 115 -3,-1.9 -2,-0.2 -4,-0.1 261,-0.1 0.779 87.3-143.6 -69.4 -28.3 78.4 56.3 18.7 137 146 A G S < S+ 0 0 10 -4,-0.7 260,-2.7 -3,-0.5 2,-0.3 0.558 71.4 42.3 76.8 6.0 79.5 52.8 17.6 138 147 A Q E +F 396 0B 124 -5,-0.4 2,-0.3 258,-0.3 258,-0.2 -0.969 55.4 158.4-173.3 160.9 76.6 51.1 19.5 139 148 A C E -F 395 0B 12 256,-1.9 256,-3.2 -2,-0.3 2,-0.9 -0.967 46.5-104.9-177.5 166.5 72.9 51.2 20.3 140 149 A N E >> -F 394 0B 28 -2,-0.3 4,-2.6 254,-0.2 3,-0.9 -0.897 36.7-157.9-106.5 94.8 69.8 49.3 21.5 141 150 A F H 3>>S+ 0 0 0 252,-2.4 5,-2.3 -2,-0.9 4,-1.9 0.802 83.5 61.0 -43.6 -42.2 68.1 49.2 18.1 142 151 A T H 34>S+ 0 0 9 1,-0.2 5,-1.4 3,-0.2 -1,-0.2 0.920 118.6 25.1 -57.3 -46.8 64.7 48.6 19.6 143 152 A E H <45S+ 0 0 112 -3,-0.9 -2,-0.2 3,-0.2 -1,-0.2 0.730 122.9 52.4 -92.6 -21.0 64.6 51.8 21.5 144 153 A D H <5S- 0 0 53 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.664 134.4 -12.5 -88.8 -18.6 67.0 53.9 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -3,-0.2 0.472 122.3 64.6-144.5 -54.8 65.4 53.5 16.0 146 155 A A T 4 S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.897 110.0 56.8 -53.5 -46.3 61.1 56.3 17.4 149 158 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 5,-0.2 0.965 116.0 28.3 -55.2 -65.7 61.2 56.0 13.6 150 159 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.903 122.6 52.3 -66.3 -37.6 57.8 54.5 12.7 151 160 A I H X S+ 0 0 1 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.918 107.8 48.8 -64.6 -45.4 56.1 55.9 15.8 152 161 A R H X S+ 0 0 81 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.896 109.8 53.9 -62.3 -38.6 57.1 59.6 15.2 153 162 A I H X S+ 0 0 7 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.910 111.4 46.1 -62.1 -39.9 56.0 59.3 11.6 154 163 A F H X S+ 0 0 13 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.951 108.8 52.4 -68.3 -48.0 52.6 58.1 12.8 155 164 A M H X>S+ 0 0 2 -4,-3.0 5,-2.2 1,-0.3 4,-1.3 0.852 109.9 52.7 -55.4 -32.6 52.3 60.8 15.5 156 165 A L H <5S+ 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.908 110.6 45.7 -68.7 -42.4 53.0 63.2 12.6 157 166 A L H <5S+ 0 0 22 -4,-1.8 53,-2.4 1,-0.2 -2,-0.2 0.894 118.5 42.2 -67.3 -40.3 50.3 61.7 10.5 158 167 A A H <5S- 0 0 1 -4,-3.1 53,-0.4 51,-0.2 -1,-0.2 0.622 105.8-126.9 -82.7 -14.9 47.8 61.7 13.3 159 168 A G T <5 + 0 0 39 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.930 58.3 145.7 67.9 45.1 48.8 65.1 14.6 160 169 A L < - 0 0 12 -5,-2.2 -1,-0.2 -6,-0.1 2,-0.1 -0.872 54.6 -94.3-116.2 150.1 49.4 63.9 18.2 161 170 A P > - 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.380 20.7-137.5 -65.9 131.9 52.0 65.0 20.8 162 171 A E G > S+ 0 0 98 1,-0.3 3,-0.7 2,-0.2 -7,-0.0 0.614 100.2 72.3 -62.5 -11.9 55.3 63.1 20.9 163 172 A E G 3 S+ 0 0 151 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.692 89.0 59.0 -77.6 -19.3 54.9 63.3 24.7 164 173 A D G <> S+ 0 0 47 -3,-2.0 4,-2.9 1,-0.2 5,-0.3 0.509 78.1 95.4 -87.2 -5.4 52.1 60.8 24.7 165 174 A I H <> S+ 0 0 32 -3,-0.7 4,-3.5 -4,-0.2 5,-0.3 0.927 80.5 50.7 -52.4 -54.2 54.2 58.0 23.1 166 175 A P H > S+ 0 0 94 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.888 116.0 42.8 -52.5 -42.7 55.3 56.3 26.3 167 176 A H H > S+ 0 0 91 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.963 118.0 44.1 -67.4 -53.9 51.7 56.1 27.5 168 177 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -3,-0.2 0.858 111.7 53.1 -60.9 -40.0 50.2 55.1 24.2 169 178 A K H X S+ 0 0 13 -4,-3.5 4,-2.3 -5,-0.3 -1,-0.2 0.887 107.7 51.6 -65.2 -39.3 52.9 52.5 23.4 170 179 A Y H X S+ 0 0 102 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.929 109.7 48.2 -64.0 -45.6 52.4 50.8 26.8 171 180 A L H X S+ 0 0 5 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.883 111.8 51.0 -62.3 -39.3 48.6 50.4 26.3 172 181 A T H >X S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 4,-1.0 0.941 106.5 53.6 -63.1 -49.0 49.2 49.1 22.8 173 182 A D H 3X S+ 0 0 41 -4,-2.3 4,-2.7 1,-0.3 3,-0.2 0.807 101.9 58.9 -56.8 -33.3 51.6 46.5 23.9 174 183 A Q H 3< S+ 0 0 8 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.680 104.4 53.4 -71.6 -16.5 49.2 45.1 26.5 175 184 A M H << S+ 0 0 3 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.750 121.1 26.4 -88.5 -28.6 46.7 44.4 23.7 176 185 A T H < S+ 0 0 3 -4,-1.0 210,-2.2 -3,-0.2 211,-0.5 0.759 136.6 25.6-104.1 -35.6 49.1 42.3 21.5 177 186 A R S < S- 0 0 28 -4,-2.7 -2,-0.1 -5,-0.2 -1,-0.1 -0.534 87.5-148.7-130.4 66.5 51.5 40.9 24.1 178 187 A P - 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.005 12.8-166.9 -38.9 125.9 49.5 40.9 27.4 179 188 A D - 0 0 111 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.619 41.2-117.2 -91.5 -18.0 51.6 41.4 30.5 180 189 A G S S+ 0 0 72 2,-0.4 3,-0.1 -6,-0.2 -6,-0.0 0.248 92.9 108.6 95.3 -11.4 48.9 40.3 32.9 181 190 A S S S+ 0 0 66 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.869 90.1 4.2 -64.2 -38.6 49.0 43.8 34.3 182 191 A M S S- 0 0 39 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.2 -0.998 76.0-112.5-151.8 148.1 45.7 44.6 32.7 183 192 A T > - 0 0 78 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.199 37.7-106.5 -70.1 167.2 42.9 42.9 30.7 184 193 A F H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.936 118.9 54.8 -61.9 -48.0 42.2 43.7 27.1 185 194 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 110.0 47.7 -53.5 -39.6 39.0 45.6 27.9 186 195 A E H > S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.922 111.8 47.7 -69.5 -46.6 40.9 47.8 30.4 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 115.2 47.6 -59.4 -43.5 43.7 48.6 27.9 188 197 A K H X S+ 0 0 16 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.878 110.7 51.5 -64.2 -40.6 41.1 49.3 25.4 189 198 A E H X S+ 0 0 95 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.962 109.2 50.1 -60.0 -53.7 39.2 51.5 27.8 190 199 A A H X S+ 0 0 28 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.871 110.3 49.7 -52.6 -45.0 42.3 53.5 28.7 191 200 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.875 110.4 49.7 -65.6 -37.9 43.1 54.1 25.0 192 201 A Y H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.853 104.4 58.8 -69.6 -33.4 39.5 55.3 24.3 193 202 A D H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.0 48.6 -61.9 -32.8 39.7 57.7 27.3 194 203 A Y H X S+ 0 0 34 -4,-1.2 4,-0.7 -5,-0.2 -2,-0.2 0.896 115.3 41.8 -73.9 -42.6 42.7 59.2 25.5 195 204 A L H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.870 97.0 72.3 -76.3 -40.7 41.0 59.6 22.1 196 205 A I H X S+ 0 0 64 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.880 99.6 45.8 -44.2 -53.9 37.5 60.8 23.0 197 206 A P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.950 115.1 48.7 -56.8 -48.4 38.5 64.4 24.0 198 207 A I H X S+ 0 0 21 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.914 111.2 47.5 -57.2 -49.9 40.7 64.7 20.9 199 208 A I H X S+ 0 0 4 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.900 109.3 56.7 -60.5 -40.3 38.1 63.5 18.5 200 209 A E H >X S+ 0 0 108 -4,-2.4 4,-1.3 -5,-0.3 3,-1.0 0.961 111.0 41.8 -53.5 -56.6 35.6 65.8 20.1 201 210 A Q H 3X S+ 0 0 106 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.846 111.4 56.3 -60.4 -37.7 37.9 68.8 19.5 202 211 A R H 3< S+ 0 0 38 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.664 102.5 57.2 -71.0 -16.9 38.7 67.6 16.0 203 212 A R H << S+ 0 0 87 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.874 115.8 33.6 -79.9 -39.8 35.0 67.5 15.1 204 213 A Q H < S+ 0 0 153 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.952 132.9 27.6 -78.9 -56.6 34.4 71.2 15.9 205 214 A K S < S- 0 0 180 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.769 87.3-163.0-110.1 84.8 37.8 72.6 14.8 206 215 A P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.288 8.4-173.9 -69.2 151.1 39.0 70.2 12.1 207 216 A G - 0 0 42 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.304 41.0 -96.7-120.4-154.3 42.6 70.1 10.9 208 217 A T S S+ 0 0 138 -2,-0.1 -49,-0.1 4,-0.1 5,-0.0 0.385 83.0 114.5-111.5 -0.4 44.4 68.2 8.1 209 218 A D S > S- 0 0 19 -51,-0.1 4,-2.4 1,-0.1 -51,-0.2 -0.174 82.3-105.8 -67.8 162.7 45.6 65.3 10.4 210 219 A A H > S+ 0 0 9 -53,-2.4 4,-2.5 1,-0.2 5,-0.2 0.850 120.0 54.6 -57.6 -37.7 44.3 61.7 10.0 211 220 A I H > S+ 0 0 7 -53,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.914 108.7 46.7 -65.3 -43.5 42.2 62.0 13.1 212 221 A S H > S+ 0 0 3 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.927 111.7 52.5 -63.9 -43.0 40.4 65.1 11.8 213 222 A I H < S+ 0 0 59 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.928 116.3 39.2 -57.4 -47.1 39.9 63.4 8.5 214 223 A V H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.924 111.4 55.4 -69.8 -47.9 38.3 60.4 10.2 215 224 A A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.692 118.6 36.0 -60.6 -19.1 36.3 62.2 12.9 216 225 A N T 3< S+ 0 0 69 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.121 93.4 121.8-121.7 20.1 34.6 64.2 10.1 217 226 A G < - 0 0 11 -3,-1.7 7,-2.1 6,-0.1 2,-0.4 -0.132 57.4-121.8 -77.7 177.5 34.3 61.6 7.4 218 227 A Q E -H 223 0C 124 5,-0.3 2,-0.5 -113,-0.0 3,-0.1 -0.988 21.9-171.1-125.4 128.6 31.2 60.3 5.6 219 228 A V E > S-H 222 0C 0 3,-2.6 3,-1.2 -2,-0.4 -117,-0.1 -0.977 72.8 -8.6-125.1 123.2 30.1 56.6 5.6 220 229 A N T 3 S- 0 0 119 -2,-0.5 -1,-0.2 1,-0.3 -118,-0.0 0.830 128.9 -56.7 63.8 34.5 27.3 55.3 3.4 221 230 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 -0.006 125.8 86.7 89.5 -30.6 26.3 58.8 2.5 222 231 A R E < S-H 219 0C 96 -3,-1.2 -3,-2.6 1,-0.1 -1,-0.3 -0.449 86.8 -88.1 -97.3 171.6 25.9 59.9 6.1 223 232 A P E -H 218 0C 85 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.561 42.1-106.2 -84.3 145.8 28.4 61.3 8.6 224 233 A I - 0 0 3 -7,-2.1 2,-0.2 -2,-0.2 -4,-0.0 -0.312 34.6-125.4 -65.6 147.5 30.5 59.1 10.9 225 234 A T > - 0 0 60 1,-0.1 4,-2.5 -9,-0.0 5,-0.2 -0.509 20.0-110.8 -92.1 164.7 29.6 59.0 14.6 226 235 A S H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 119.0 50.2 -58.4 -46.6 31.9 59.7 17.5 227 236 A D H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 112.2 47.3 -57.1 -51.0 31.9 56.1 18.6 228 237 A E H > S+ 0 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