==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 18-MAY-90 8CPP . COMPND 2 MOLECULE: CYTOCHROME P450CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.RAAG,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.7 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 . 58 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 36.5 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 2 0 0 2 0 2 2 1 0 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 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 0 189 0, 0.0 49,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 89.8 46.7 25.8 32.3 2 11 A L - 0 0 83 47,-0.1 47,-0.2 48,-0.1 46,-0.0 -0.756 360.0-133.3 -97.3 138.2 44.9 23.7 29.8 3 12 A A - 0 0 20 45,-2.3 2,-0.1 -2,-0.3 49,-0.0 -0.727 36.6 -93.0 -91.3 145.1 41.2 23.9 29.3 4 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.403 48.2-102.2 -64.3 134.7 39.1 20.7 29.2 5 14 A L - 0 0 58 -2,-0.1 6,-0.0 1,-0.1 43,-0.0 -0.377 34.1-122.9 -62.5 126.0 38.6 19.4 25.7 6 15 A P > - 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.357 26.8-109.4 -64.4 157.7 35.2 20.1 24.2 7 16 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.815 112.8 58.5 -58.8 -40.8 33.2 17.0 23.1 8 17 A H T 3 S+ 0 0 41 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.524 84.0 96.7 -71.7 -6.1 33.5 17.7 19.4 9 18 A V S < S- 0 0 7 -3,-1.5 5,-0.1 292,-0.1 294,-0.0 -0.785 71.9-135.2 -93.6 114.3 37.4 17.6 19.3 10 19 A P > - 0 0 47 0, 0.0 3,-2.1 0, 0.0 36,-0.1 -0.358 17.2-130.2 -66.0 132.3 39.1 14.4 18.3 11 20 A E G > S+ 0 0 176 1,-0.3 3,-1.3 2,-0.2 35,-0.1 0.750 105.6 63.5 -57.3 -25.8 41.9 13.7 20.8 12 21 A H G 3 S+ 0 0 143 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.528 95.6 60.4 -74.3 -15.5 44.3 13.1 17.9 13 22 A L G < S+ 0 0 15 -3,-2.1 33,-2.5 32,-0.1 2,-0.4 0.344 80.5 114.6 -94.6 0.9 43.8 16.7 16.8 14 23 A V B < +a 46 0A 37 -3,-1.3 2,-0.3 31,-0.2 33,-0.2 -0.667 28.5 158.6 -79.9 130.9 45.2 18.0 20.0 15 24 A F - 0 0 58 31,-2.3 2,-2.0 -2,-0.4 30,-0.1 -0.844 34.4-141.1-149.5 106.8 48.4 20.0 20.0 16 25 A D + 0 0 55 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.364 34.0 166.0 -81.0 73.3 48.9 22.2 23.0 17 26 A F - 0 0 8 -2,-2.0 2,-0.7 32,-0.1 32,-0.4 -0.606 26.1-153.3 -85.6 128.8 50.5 25.3 21.5 18 27 A D > - 0 0 43 -2,-0.4 3,-1.4 3,-0.1 -2,-0.0 -0.899 2.4-164.7-106.4 102.6 50.6 28.5 23.5 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.645 91.1 49.5 -58.3 -25.4 50.6 31.4 21.1 20 29 A Y T 3 S+ 0 0 40 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.540 129.3 16.0 -90.0 -20.1 51.8 33.7 24.0 21 30 A N S < S- 0 0 101 -3,-1.4 -1,-0.2 362,-0.1 -2,-0.2 -0.360 77.9-173.1-155.9 71.0 54.6 31.5 25.2 22 31 A P > - 0 0 2 0, 0.0 3,-1.2 0, 0.0 11,-0.1 -0.312 31.8-114.0 -69.6 152.7 55.6 28.8 22.7 23 32 A S T 3 S+ 0 0 115 1,-0.3 3,-0.4 9,-0.2 9,-0.1 0.789 105.8 43.9 -59.3 -51.8 58.0 26.2 23.7 24 33 A N T > + 0 0 82 8,-0.2 3,-2.2 1,-0.2 4,-0.3 0.033 66.5 136.4 -97.6 43.0 61.1 26.9 21.7 25 34 A L G X + 0 0 33 -3,-1.2 3,-2.3 1,-0.3 357,-0.3 0.805 64.8 67.0 -50.9 -34.8 61.1 30.6 22.1 26 35 A S G 3 S+ 0 0 126 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.831 94.5 56.9 -53.8 -40.6 64.9 30.5 22.6 27 36 A A G < S- 0 0 57 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.539 129.4 -79.4 -69.7 -6.5 65.4 29.4 19.0 28 37 A G <> - 0 0 6 -3,-2.3 4,-1.9 -4,-0.3 -1,-0.3 -0.294 40.7 -93.6 112.6 149.9 63.6 32.5 17.7 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 121.8 48.7 -67.6 -46.9 59.9 33.3 17.4 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 113.5 48.6 -60.0 -46.1 59.3 32.1 13.8 31 40 A E H 4 S+ 0 0 58 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.886 108.0 54.9 -62.5 -39.8 61.1 28.9 14.6 32 41 A A H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -8,-0.2 0.914 113.0 42.8 -60.9 -41.9 59.0 28.4 17.8 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.831 101.5 69.2 -67.2 -42.7 55.8 28.7 15.6 34 43 A A G >< S+ 0 0 22 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.565 76.1 82.3 -59.8 -11.3 57.2 26.5 12.9 35 44 A V G X S+ 0 0 27 -3,-0.8 3,-1.5 -4,-0.4 -1,-0.3 0.837 81.7 66.7 -58.1 -32.5 57.0 23.5 15.2 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.544 96.0 56.6 -59.9 -24.1 53.3 23.5 14.0 37 46 A Q G < S+ 0 0 8 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.297 79.2 118.6 -98.0 8.1 54.5 22.6 10.6 38 47 A E S X S- 0 0 104 -3,-1.5 3,-2.7 -4,-0.2 -3,-0.0 -0.422 79.6-107.7 -70.6 152.6 56.4 19.4 11.5 39 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.666 117.1 62.0 -52.3 -26.7 55.3 16.1 10.0 40 49 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.521 91.2 87.4 -81.0 -5.7 53.9 14.9 13.4 41 50 A V S < S- 0 0 8 -3,-2.7 -28,-0.1 -6,-0.1 4,-0.1 -0.856 75.2-133.2-105.1 125.6 51.4 17.8 13.3 42 51 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.178 29.1-110.9 -63.1 160.8 48.0 17.7 11.5 43 52 A D S S+ 0 0 53 1,-0.2 14,-2.9 13,-0.1 15,-0.4 0.715 108.2 34.6 -62.1 -27.9 47.1 20.6 9.3 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.962 77.7 172.4-139.3 113.3 44.4 21.7 11.8 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.5 -2,-0.4 2,-0.4 -0.763 27.0-133.5-123.4 164.4 44.9 21.2 15.4 46 55 A W E -aB 14 54A 11 -33,-2.5 -31,-2.3 -2,-0.3 2,-0.4 -0.993 18.7-158.8-116.7 131.3 43.1 22.2 18.6 47 56 A T E - B 0 53A 0 6,-2.8 6,-1.8 -2,-0.4 -31,-0.2 -0.883 13.4-151.6-110.4 143.5 45.1 23.7 21.5 48 57 A R > + 0 0 80 -2,-0.4 -45,-2.3 4,-0.2 3,-0.6 0.455 67.8 100.5 -88.4 -2.0 43.9 23.6 25.0 49 58 A C G > S+ 0 0 11 -32,-0.4 3,-1.9 1,-0.2 -2,-0.1 -0.454 78.7 20.7 -84.0 158.3 45.8 26.7 25.9 50 59 A N G 3 S- 0 0 46 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.783 141.4 -50.5 58.1 30.4 44.4 30.2 26.2 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.292 101.5 -67.3 95.4 -7.9 40.9 28.7 26.6 52 61 A G < + 0 0 7 -3,-1.9 256,-0.3 1,-0.1 2,-0.3 0.481 65.7 158.2 94.8 125.7 40.9 26.3 23.6 53 62 A H E -B 47 0A 0 -6,-1.8 -6,-2.8 254,-0.1 256,-0.2 -0.959 37.9-102.2-168.6 159.7 40.9 27.2 20.0 54 63 A W E -Bc 46 309A 0 254,-2.2 256,-3.3 -2,-0.3 2,-0.4 -0.527 26.3-158.9 -85.2 160.1 41.8 25.7 16.6 55 64 A I E -Bc 45 310A 0 -10,-2.5 -10,-2.1 254,-0.2 2,-0.4 -0.962 8.6-147.9-141.8 122.9 44.9 26.6 14.6 56 65 A A E -B 44 0A 0 254,-1.9 -12,-0.2 -2,-0.4 259,-0.1 -0.778 13.5-170.6 -87.3 137.3 45.3 26.2 10.9 57 66 A T + 0 0 0 -14,-2.9 2,-0.4 -2,-0.4 -13,-0.1 0.496 54.4 71.2-107.6 -8.4 48.9 25.4 10.1 58 67 A R S >> S- 0 0 6 -15,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.907 75.4-127.5-123.0 139.6 49.2 25.5 6.4 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.1 257,-0.3 5,-0.2 0.746 109.4 58.9 -50.5 -38.3 49.2 28.4 4.0 60 69 A Q H 3> S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 110.8 39.6 -57.8 -49.7 46.4 26.7 2.0 61 70 A L H <> S+ 0 0 1 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.828 113.6 54.3 -68.4 -43.7 44.0 26.5 4.9 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.888 111.3 45.5 -59.2 -45.7 44.9 30.0 6.2 63 72 A R H X S+ 0 0 49 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.884 113.4 49.7 -64.5 -44.7 44.1 31.6 2.8 64 73 A E H >X S+ 0 0 73 -4,-1.6 4,-1.7 1,-0.2 3,-0.9 0.940 111.7 47.6 -59.5 -50.4 40.9 29.6 2.5 65 74 A A H 3< S+ 0 0 1 -4,-2.7 7,-0.3 1,-0.3 -1,-0.2 0.827 111.8 51.8 -57.0 -42.1 39.7 30.6 5.9 66 75 A Y H 3< S+ 0 0 8 -4,-1.8 279,-0.5 1,-0.2 280,-0.3 0.613 110.5 47.8 -68.6 -29.1 40.6 34.2 5.2 67 76 A E H << S+ 0 0 120 -4,-1.0 2,-1.3 -3,-0.9 -2,-0.2 0.777 100.4 70.0 -75.6 -41.6 38.7 34.2 2.0 68 77 A D X + 0 0 36 -4,-1.7 4,-2.5 1,-0.2 3,-0.4 -0.694 50.6 157.7 -76.8 50.9 35.6 32.6 3.5 69 78 A Y T 4 + 0 0 77 -2,-1.3 -1,-0.2 2,-0.2 5,-0.1 0.695 67.3 71.5 -58.5 -24.0 34.2 35.4 5.8 70 79 A R T 4 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.939 116.2 21.7 -52.1 -49.0 30.7 33.7 5.7 71 80 A H T 4 S+ 0 0 44 -3,-0.4 222,-2.2 1,-0.2 2,-0.7 0.842 127.1 50.5 -87.0 -40.5 32.0 30.9 7.9 72 81 A F E < S-D 292 0A 1 -4,-2.5 2,-0.3 -7,-0.3 -1,-0.2 -0.868 79.0-165.5-107.1 103.2 35.0 32.6 9.5 73 82 A S E > -D 291 0A 4 218,-3.1 218,-2.7 -2,-0.7 3,-0.6 -0.638 26.1-143.8 -95.8 152.7 33.9 35.9 10.9 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.223 76.5 103.2 -84.2 -3.3 36.1 38.8 12.1 75 84 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.837 96.2 20.9 -50.5 -44.9 33.7 39.6 14.9 76 85 A C S < S+ 0 0 2 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.873 76.3 156.6-129.3 86.6 36.0 38.0 17.5 77 86 A P + 0 0 2 0, 0.0 212,-3.0 0, 0.0 2,-0.4 0.527 49.2 76.2 -94.8 -11.4 39.5 38.0 15.9 78 87 A F S S- 0 0 11 210,-0.2 6,-0.7 3,-0.2 7,-0.1 -0.869 76.2-114.4-106.0 148.6 41.6 37.8 19.0 79 88 A I S S+ 0 0 1 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.878 91.4 55.4-113.0 137.0 42.4 34.9 21.3 80 89 A P S >> S- 0 0 28 0, 0.0 4,-1.9 0, 0.0 3,-1.5 0.645 90.0-125.5 -77.9 164.7 41.7 34.5 24.1 81 90 A R H 3> S+ 0 0 83 -31,-0.3 4,-3.4 1,-0.3 5,-0.2 0.844 107.1 60.4 -49.3 -47.0 37.9 35.0 23.6 82 91 A E H 3> S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.814 109.5 44.6 -51.8 -35.3 37.6 37.8 26.2 83 92 A A H <> S+ 0 0 8 -3,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.922 114.4 47.4 -71.9 -49.6 40.0 39.8 24.1 84 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.7 -3,-0.2 0.836 114.2 50.0 -59.4 -37.0 38.3 38.9 20.9 85 94 A E H < S+ 0 0 135 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.8 46.2 -68.1 -41.4 35.0 39.8 22.6 86 95 A A H < S+ 0 0 19 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.538 91.7 107.4 -74.3 -18.2 36.2 43.2 23.9 87 96 A Y < + 0 0 13 -4,-0.9 -9,-0.1 1,-0.1 98,-0.0 -0.629 30.4 152.1 -70.6 125.0 37.6 43.8 20.4 88 97 A D + 0 0 38 -2,-0.5 -1,-0.1 143,-0.1 143,-0.1 0.151 17.6 145.4-144.3 22.4 35.7 46.4 18.5 89 98 A F > - 0 0 3 3,-0.1 4,-3.2 145,-0.1 143,-0.2 -0.244 47.3-103.0 -62.7 149.4 38.1 48.0 16.1 90 99 A I T 4 S+ 0 0 1 141,-1.2 145,-0.3 1,-0.3 -2,-0.1 -0.946 95.2 7.7-119.1 136.8 36.9 49.1 12.7 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.969 123.9 63.2 -84.5 -3.5 37.3 47.9 10.0 92 101 A T T 34 S+ 0 0 34 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.799 99.5 50.3 -61.8 -32.1 38.8 44.8 11.6 93 102 A S T 3< S+ 0 0 19 -4,-3.2 2,-0.4 -18,-0.1 -1,-0.3 0.410 101.0 84.1 -93.3 19.8 35.9 43.5 13.6 94 103 A M < - 0 0 15 -3,-1.4 -6,-0.0 -5,-0.2 -5,-0.0 -0.889 64.2-145.8-119.7 150.1 33.5 43.7 10.6 95 104 A D > - 0 0 34 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.555 43.5 -60.0-102.7 155.6 32.7 41.4 7.7 96 105 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.387 112.4 36.4 -61.8 150.8 31.8 42.5 4.2 97 106 A P T >4 S+ 0 0 112 0, 0.0 3,-0.8 0, 0.0 4,-0.4 -0.988 126.4 41.3 -85.2 -16.5 29.7 44.2 3.0 98 107 A E T >> S+ 0 0 121 -3,-0.4 3,-0.9 1,-0.2 4,-0.8 0.810 108.3 62.5 -55.1 -44.1 29.7 46.5 6.0 99 108 A Q H >X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 3,-0.5 0.853 89.3 72.5 -49.9 -43.7 33.5 46.5 6.3 100 109 A R H <> S+ 0 0 167 -3,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.675 93.7 48.8 -47.8 -42.8 33.9 48.1 2.8 101 110 A Q H <> S+ 0 0 55 -3,-0.9 4,-1.2 -4,-0.4 -1,-0.3 0.863 114.1 46.1 -69.7 -44.0 32.7 51.6 3.6 102 111 A F H X S+ 0 0 2 -4,-1.2 4,-0.9 2,-0.2 3,-0.6 0.902 110.7 50.9 -71.6 -47.8 37.9 55.8 4.7 106 115 A A H >X S+ 0 0 2 -4,-2.0 4,-1.0 1,-0.3 3,-0.7 0.855 108.1 57.0 -56.6 -36.2 40.8 54.2 6.5 107 116 A N H 3X S+ 0 0 75 -4,-2.6 4,-1.8 1,-0.3 -1,-0.3 0.779 97.0 60.6 -62.0 -36.9 42.4 54.0 3.0 108 117 A Q H << S+ 0 0 125 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.773 112.3 40.7 -59.6 -40.3 42.0 57.7 2.5 109 118 A V H << S+ 0 0 5 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.556 129.2 19.9 -79.9 -36.6 44.2 58.2 5.5 110 119 A V H < S+ 0 0 12 -4,-1.0 243,-0.4 -3,-0.2 -3,-0.2 0.392 96.6 110.2-112.8 -14.8 47.0 55.5 5.2 111 120 A G S >X S- 0 0 0 -4,-1.8 3,-1.7 -5,-0.2 4,-1.6 0.040 85.1 -72.6 -62.1-178.7 47.0 54.6 1.6 112 121 A M H 3> S+ 0 0 102 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.767 125.6 54.8 -37.4 -57.8 49.4 55.1 -1.3 113 122 A P H 3> S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.764 108.8 49.8 -58.5 -28.8 48.8 58.8 -1.9 114 123 A V H <> S+ 0 0 23 -3,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.872 109.7 50.8 -75.1 -38.0 49.6 59.5 1.8 115 124 A V H X S+ 0 0 4 -4,-1.6 4,-0.7 1,-0.2 3,-0.2 0.923 108.1 53.1 -64.2 -44.2 52.8 57.6 1.5 116 125 A D H >< S+ 0 0 109 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.836 111.0 46.3 -59.3 -40.8 53.7 59.5 -1.6 117 126 A K H 3< S+ 0 0 153 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.805 115.6 45.1 -73.6 -32.5 53.2 62.8 0.3 118 127 A L H >X S+ 0 0 9 -4,-1.9 4,-1.7 -3,-0.2 3,-0.6 0.393 82.1 102.2 -91.6 -4.1 55.2 61.7 3.4 119 128 A E H S+ 0 0 138 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.3 0.796 111.0 46.8 -59.5 -40.8 60.4 63.1 2.1 121 130 A R H <> S+ 0 0 117 -3,-0.6 4,-2.5 2,-0.2 -1,-0.3 0.711 109.1 54.0 -70.2 -38.7 59.8 63.1 5.9 122 131 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.4 -2,-0.2 0.941 113.9 43.1 -58.4 -48.6 60.3 59.4 6.1 123 132 A Q H X S+ 0 0 60 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.915 114.1 51.4 -62.3 -44.6 63.7 59.8 4.4 124 133 A E H X S+ 0 0 106 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.1 45.1 -61.2 -46.6 64.6 62.8 6.5 125 134 A L H X S+ 0 0 22 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.868 112.8 50.1 -68.1 -39.4 63.8 61.1 9.7 126 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 112.8 46.4 -64.5 -48.4 65.7 57.9 8.8 127 136 A C H X S+ 0 0 27 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.934 114.7 48.3 -60.1 -46.3 68.8 59.8 7.7 128 137 A S H X S+ 0 0 71 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.884 112.5 46.1 -62.3 -40.3 68.8 62.0 10.8 129 138 A L H X S+ 0 0 18 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.928 116.6 46.3 -70.8 -42.9 68.3 59.1 13.3 130 139 A I H >X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-0.8 0.940 111.6 48.6 -65.7 -50.3 71.0 57.1 11.6 131 140 A E H 3< S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.902 109.4 55.4 -58.0 -38.4 73.6 59.9 11.3 132 141 A S H 3< S+ 0 0 76 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.792 114.8 38.7 -66.0 -29.6 72.9 60.6 15.0 133 142 A L H X< S+ 0 0 13 -4,-1.0 3,-1.6 -3,-0.8 5,-0.5 0.831 95.7 82.7 -87.1 -41.7 73.8 57.0 15.9 134 143 A R G >< S+ 0 0 39 -4,-2.6 3,-0.9 1,-0.3 -2,-0.1 0.734 89.5 47.9 -32.8 -56.2 76.7 56.4 13.5 135 144 A P G 3 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.694 99.4 71.1 -68.8 -14.0 79.6 57.9 15.5 136 145 A Q G < S- 0 0 116 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.777 85.7-146.0 -74.1 -30.4 78.5 56.1 18.7 137 146 A G S < S+ 0 0 11 -3,-0.9 260,-2.0 -4,-0.5 2,-0.3 0.647 73.1 53.7 69.8 12.6 79.6 52.7 17.5 138 147 A Q E +F 396 0B 127 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.933 55.2 162.0-171.1 137.5 76.7 51.2 19.5 139 148 A C E -F 395 0B 12 256,-1.6 256,-2.8 -2,-0.3 2,-0.9 -0.964 44.9-115.7-139.5-176.3 72.9 51.3 20.0 140 149 A N E > -F 394 0B 32 -2,-0.3 4,-3.3 254,-0.2 5,-0.3 -0.927 36.7-162.6-106.6 71.6 69.9 49.6 21.4 141 150 A F H >>S+ 0 0 0 252,-2.8 5,-3.0 -2,-0.9 4,-2.1 0.841 83.7 54.9 -39.5 -39.1 68.3 49.3 17.9 142 151 A T H 4>S+ 0 0 8 1,-0.2 5,-1.9 3,-0.2 -1,-0.2 0.979 121.9 26.9 -63.1 -52.8 64.9 48.6 19.4 143 152 A E H 45S+ 0 0 120 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.761 125.5 48.5 -75.5 -34.8 64.8 51.7 21.5 144 153 A D H <5S- 0 0 56 -4,-3.3 -3,-0.2 3,-0.1 -1,-0.2 0.589 134.8 -10.5 -79.8 -27.4 67.1 53.8 19.4 145 154 A Y T X5S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -3,-0.2 0.528 120.5 64.3-138.3 -53.9 65.6 53.3 16.0 146 155 A A T 4 S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.805 109.6 58.5 -51.9 -50.1 61.3 56.2 17.2 149 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -3,-0.1 0.984 116.0 28.1 -50.7 -65.0 61.4 55.9 13.4 150 159 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.842 123.1 52.8 -68.3 -36.6 58.0 54.4 12.6 151 160 A I H X S+ 0 0 1 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.898 105.8 50.4 -67.5 -49.5 56.3 56.0 15.7 152 161 A R H X S+ 0 0 89 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.854 110.9 51.4 -58.3 -36.2 57.4 59.5 15.1 153 162 A I H X S+ 0 0 2 -4,-1.2 4,-1.3 -5,-0.3 -1,-0.2 0.799 111.9 45.4 -68.2 -39.1 56.1 59.2 11.5 154 163 A F H X S+ 0 0 9 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.913 110.7 54.9 -66.6 -45.0 52.7 57.9 12.7 155 164 A M H X>S+ 0 0 1 -4,-3.4 5,-2.3 1,-0.3 4,-1.0 0.883 110.3 46.5 -56.3 -37.4 52.6 60.7 15.3 156 165 A L H <5S+ 0 0 79 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.824 112.5 48.8 -72.8 -41.0 53.2 63.2 12.6 157 166 A L H <5S+ 0 0 16 -4,-1.3 53,-2.2 -3,-0.2 -2,-0.2 0.910 117.3 41.6 -64.4 -43.3 50.5 61.7 10.4 158 167 A A H <5S- 0 0 0 -4,-2.7 53,-0.4 51,-0.2 -2,-0.2 0.457 106.4-126.2 -83.8 -18.9 48.0 61.6 13.2 159 168 A G T <5 + 0 0 35 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.890 59.1 144.4 69.5 43.4 48.9 65.0 14.6 160 169 A L < - 0 0 11 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.878 55.6 -95.4-113.7 147.9 49.5 63.7 18.1 161 170 A P > - 0 0 49 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.384 18.9-137.7 -65.8 131.6 52.2 64.9 20.6 162 171 A E G > S+ 0 0 95 1,-0.3 3,-1.8 -2,-0.2 -7,-0.0 0.815 102.6 73.1 -53.7 -27.7 55.5 62.9 20.7 163 172 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.748 88.1 60.8 -60.0 -24.4 55.1 63.3 24.5 164 173 A D G <> S+ 0 0 44 -3,-2.9 4,-2.5 1,-0.2 3,-0.5 0.607 76.7 96.9 -83.2 -8.6 52.3 60.7 24.4 165 174 A I H <> S+ 0 0 34 -3,-1.8 4,-3.2 -4,-0.3 5,-0.3 0.845 80.5 47.5 -46.2 -58.5 54.5 57.9 23.0 166 175 A P H > S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.842 115.2 44.9 -54.9 -46.3 55.4 56.1 26.2 167 176 A H H > S+ 0 0 95 -3,-0.5 4,-1.9 -4,-0.3 -2,-0.2 0.983 118.7 43.6 -61.8 -52.0 51.8 56.0 27.5 168 177 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -3,-0.2 0.819 111.3 52.0 -61.9 -44.0 50.4 54.9 24.1 169 178 A K H X S+ 0 0 13 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.910 108.1 53.4 -64.9 -36.8 53.1 52.4 23.4 170 179 A Y H X S+ 0 0 98 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.923 110.5 46.4 -63.3 -46.7 52.5 50.8 26.7 171 180 A L H X S+ 0 0 5 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.865 112.1 49.7 -65.7 -41.0 48.8 50.4 26.0 172 181 A T H >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-1.3 0.922 108.7 53.6 -63.9 -41.1 49.3 49.0 22.5 173 182 A D H 3X S+ 0 0 42 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.837 101.5 59.1 -60.0 -41.4 51.8 46.5 23.8 174 183 A Q H 3< S+ 0 0 11 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.752 105.7 52.3 -56.9 -31.2 49.2 45.3 26.3 175 184 A M H << S+ 0 0 3 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.817 121.1 25.5 -76.9 -41.2 47.0 44.5 23.4 176 185 A T H < S+ 0 0 2 -4,-1.3 210,-2.6 1,-0.2 211,-0.4 0.782 136.1 27.5 -94.1 -34.0 49.3 42.3 21.2 177 186 A R S < S- 0 0 29 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.551 85.5-152.1-133.8 64.5 51.6 41.0 23.9 178 187 A P - 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.088 11.4-167.5 -44.7 128.2 49.7 40.9 27.1 179 188 A D - 0 0 106 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.792 41.8-114.5 -82.2 -43.1 51.8 41.2 30.2 180 189 A G S S+ 0 0 73 2,-0.5 3,-0.1 -6,-0.1 -6,-0.0 0.126 95.9 105.0 112.6 -8.4 49.1 40.2 32.8 181 190 A S S S+ 0 0 63 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.765 91.7 7.5 -68.6 -33.6 49.3 43.8 34.1 182 191 A M S S- 0 0 40 -8,-0.1 -2,-0.5 4,-0.0 -1,-0.2 -0.991 75.3-120.7-150.9 147.5 46.0 44.7 32.4 183 192 A T > - 0 0 86 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.359 38.2-102.5 -79.0 171.6 43.2 42.8 30.6 184 193 A F H > S+ 0 0 21 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.870 120.6 50.1 -62.7 -45.5 42.3 43.7 27.0 185 194 A A H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.915 110.8 49.0 -63.3 -43.5 39.1 45.7 28.0 186 195 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 116.0 43.3 -59.6 -50.2 41.1 47.7 30.6 187 196 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.889 113.3 52.1 -64.5 -45.3 43.8 48.5 28.0 188 197 A K H X S+ 0 0 23 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.880 110.5 49.4 -58.7 -43.1 41.2 49.1 25.3 189 198 A E H X S+ 0 0 90 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.869 107.5 52.1 -63.3 -42.8 39.4 51.6 27.6 190 199 A A H X S+ 0 0 27 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.886 111.0 48.4 -64.8 -38.6 42.5 53.5 28.5 191 200 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.843 112.4 49.4 -67.3 -40.2 43.3 54.0 24.8 192 201 A Y H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.893 105.3 56.0 -67.8 -38.7 39.7 55.1 24.3 193 202 A D H < S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.775 109.1 50.9 -59.4 -34.6 39.9 57.5 27.2 194 203 A Y H X S+ 0 0 33 -4,-1.2 4,-0.6 -5,-0.2 -2,-0.2 0.947 114.5 39.5 -62.7 -57.8 42.9 59.0 25.3 195 204 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.807 97.7 76.1 -69.0 -38.8 41.2 59.3 21.9 196 205 A I H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.890 98.1 42.5 -44.6 -60.3 37.7 60.6 23.0 197 206 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.834 115.4 51.8 -55.7 -40.9 38.6 64.2 23.8 198 207 A I H X S+ 0 0 19 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.889 108.9 48.0 -62.7 -52.4 40.8 64.5 20.7 199 208 A I H X S+ 0 0 2 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.887 111.6 52.3 -54.4 -46.7 38.1 63.2 18.3 200 209 A E H >X S+ 0 0 105 -4,-2.1 4,-1.9 -5,-0.3 3,-0.9 0.926 110.2 47.7 -51.4 -53.9 35.7 65.6 19.9 201 210 A Q H 3X S+ 0 0 103 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.857 112.2 50.1 -57.1 -39.3 38.1 68.5 19.4 202 211 A R H 3< S+ 0 0 37 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.548 105.4 54.7 -86.4 -11.0 38.7 67.5 15.8 203 212 A R H << S+ 0 0 87 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.852 115.1 41.6 -83.8 -36.8 35.0 67.2 14.9 204 213 A Q H < S+ 0 0 147 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.946 134.0 17.8 -69.0 -55.6 34.6 70.8 16.2 205 214 A K S < S- 0 0 169 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.772 84.3-154.5-128.1 92.1 37.8 72.2 14.6 206 215 A P - 0 0 83 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.251 11.1-174.0 -65.5 147.5 39.2 69.9 11.9 207 216 A G - 0 0 41 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.240 40.8-100.6-117.6-156.3 42.8 69.8 10.8 208 217 A T S S+ 0 0 140 -2,-0.1 -49,-0.1 4,-0.1 5,-0.0 0.380 83.4 112.3-114.5 -2.5 44.5 67.9 8.0 209 218 A D S > S- 0 0 23 -51,-0.1 4,-2.0 1,-0.1 -51,-0.2 -0.194 83.8-103.1 -68.8 167.6 45.8 65.1 10.2 210 219 A A H > S+ 0 0 6 -53,-2.2 4,-2.0 2,-0.2 -52,-0.2 0.811 120.6 52.9 -59.7 -39.4 44.5 61.5 10.0 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-3.1 2,-0.2 5,-0.2 0.950 108.3 50.8 -66.0 -45.3 42.3 61.8 13.1 212 221 A S H > S+ 0 0 3 1,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.834 111.2 48.3 -56.6 -45.7 40.6 64.9 11.7 213 222 A I H < S+ 0 0 66 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.818 115.0 44.7 -67.7 -41.4 39.9 63.1 8.4 214 223 A V H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.917 111.5 52.4 -67.2 -47.6 38.5 60.1 10.1 215 224 A A H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.701 117.9 37.6 -59.5 -26.0 36.4 62.1 12.6 216 225 A N T 3< S+ 0 0 71 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.153 94.7 123.8-115.1 13.2 34.8 64.1 9.8 217 226 A G < - 0 0 8 -3,-1.5 7,-2.3 6,-0.1 2,-0.4 -0.169 56.0-124.3 -81.4 168.9 34.5 61.3 7.2 218 227 A Q E +H 223 0C 117 5,-0.2 2,-0.4 -117,-0.1 -2,-0.1 -0.961 23.5 179.4-117.8 132.7 31.5 59.9 5.3 219 228 A V E > S-H 222 0C 0 3,-2.7 3,-1.5 -2,-0.4 -117,-0.1 -0.991 74.2 -7.6-137.2 121.2 30.5 56.2 5.4 220 229 A N T 3 S- 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 -118,-0.0 0.922 128.4 -57.2 55.3 50.3 27.4 55.0 3.5 221 230 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.150 122.7 83.9 71.3 -16.3 26.4 58.5 2.6 222 231 A R E < S-H 219 0C 94 -3,-1.5 -3,-2.7 1,-0.1 2,-0.2 -0.618 87.7 -84.4-109.8 171.7 26.1 59.8 6.2 223 232 A P E -H 218 0C 82 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.500 46.0-107.1 -73.2 143.9 28.7 61.1 8.7 224 233 A I - 0 0 1 -7,-2.3 2,-0.1 -2,-0.2 -4,-0.0 -0.380 37.8-119.1 -63.0 147.5 30.7 58.7 10.8 225 234 A T > - 0 0 64 1,-0.1 4,-2.0 -9,-0.0 5,-0.2 -0.372 20.4-111.3 -84.5 168.8 29.7 58.6 14.4 226 235 A S H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.825 119.7 50.3 -64.6 -44.2 32.0 59.6 17.3 227 236 A D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 110.1 49.4 -61.3 -45.7 32.1 56.0 18.5 228 237 A E H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 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