==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 04-JUN-91 1CP4 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . 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) . 17182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.4 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.6 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 2 0 0 2 0 2 2 0 1 0 0 1 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 0 186 0, 0.0 49,-0.4 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 90.4 46.4 25.9 32.4 2 11 A L - 0 0 80 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.688 360.0-130.6 -92.6 143.5 44.8 23.8 29.8 3 12 A A - 0 0 21 45,-2.4 49,-0.0 -2,-0.3 0, 0.0 -0.856 36.9 -87.4 -97.4 141.5 41.0 24.0 29.4 4 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.063 49.7-105.9 -46.8 131.5 38.9 20.8 29.3 5 14 A L - 0 0 57 1,-0.1 6,-0.0 2,-0.1 43,-0.0 -0.491 37.1-121.1 -64.1 129.9 38.6 19.4 25.7 6 15 A P > - 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.474 24.2-107.1 -66.8 157.7 35.2 20.0 24.3 7 16 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.762 112.7 54.6 -54.4 -41.2 33.1 17.1 23.2 8 17 A H T 3 S+ 0 0 42 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.437 85.5 96.6 -81.0 0.9 33.4 17.6 19.5 9 18 A V S < S- 0 0 7 -3,-1.6 2,-0.1 292,-0.1 5,-0.1 -0.826 72.2-130.9-102.2 118.2 37.2 17.6 19.3 10 19 A P > - 0 0 48 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.358 15.3-131.6 -64.0 135.8 39.1 14.4 18.4 11 20 A E G > S+ 0 0 174 1,-0.3 3,-1.1 2,-0.2 35,-0.1 0.715 105.7 62.3 -58.3 -27.7 41.9 13.7 20.9 12 21 A H G 3 S+ 0 0 148 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.504 97.0 59.1 -74.7 -19.6 44.2 13.0 17.9 13 22 A L G < S+ 0 0 14 -3,-2.3 33,-2.1 32,-0.1 2,-0.3 0.394 80.7 114.4 -87.6 -6.4 43.8 16.6 16.8 14 23 A V B < +a 46 0A 37 -3,-1.1 2,-0.3 31,-0.2 33,-0.2 -0.513 29.1 160.2 -72.8 131.7 45.0 18.0 20.2 15 24 A F - 0 0 59 31,-3.6 2,-1.7 -2,-0.3 30,-0.1 -0.886 32.0-143.4-152.2 106.8 48.3 20.0 20.1 16 25 A D + 0 0 59 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.586 34.1 162.3 -85.3 78.8 48.8 22.3 23.1 17 26 A F - 0 0 8 -2,-1.7 2,-0.6 32,-0.1 32,-0.4 -0.727 29.0-149.6 -95.2 137.3 50.5 25.4 21.7 18 27 A D > - 0 0 44 -2,-0.3 3,-1.2 1,-0.1 -2,-0.0 -0.944 1.1-160.6-108.5 103.7 50.4 28.6 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 14,-0.0 0.701 93.8 47.7 -60.1 -17.1 50.5 31.6 21.2 20 29 A Y T 3 S+ 0 0 40 1,-0.2 364,-0.5 -3,-0.0 -1,-0.3 0.552 128.9 18.0 -98.1 -17.5 51.7 33.8 24.1 21 30 A N S < S- 0 0 104 -3,-1.2 -1,-0.2 362,-0.1 -2,-0.2 -0.337 78.1-176.5-155.3 67.7 54.4 31.5 25.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.0 0, 0.0 11,-0.1 -0.260 33.6-108.8 -64.9 160.8 55.5 28.9 22.8 23 32 A S T 3 S+ 0 0 115 1,-0.2 3,-0.3 9,-0.2 10,-0.1 0.776 105.0 36.9 -65.6 -52.2 58.0 26.3 23.7 24 33 A N T > + 0 0 84 8,-0.2 3,-2.4 1,-0.2 4,-0.3 -0.105 67.3 138.8-105.6 52.1 61.2 26.9 21.8 25 34 A L G X + 0 0 32 -3,-1.0 3,-3.2 1,-0.3 357,-0.2 0.872 64.7 69.1 -54.9 -38.1 61.1 30.7 22.1 26 35 A S G 3 S+ 0 0 124 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.777 95.1 55.4 -46.9 -40.2 64.8 30.6 22.8 27 36 A A G < S- 0 0 56 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.560 129.8 -76.5 -70.7 -16.2 65.4 29.5 19.2 28 37 A G <> - 0 0 7 -3,-3.2 4,-1.9 -4,-0.3 -1,-0.3 -0.385 39.4 -98.3 126.0 151.7 63.5 32.5 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.848 121.1 48.0 -70.0 -45.2 59.8 33.3 17.5 30 39 A Q H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.922 113.5 51.2 -62.6 -45.9 59.2 32.3 13.9 31 40 A E H 4 S+ 0 0 57 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.899 107.6 52.4 -56.8 -44.3 61.1 29.0 14.8 32 41 A A H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.3 -8,-0.2 0.791 112.4 44.0 -62.1 -43.5 58.9 28.4 17.8 33 42 A W H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 -1,-0.3 0.748 101.1 70.1 -67.7 -36.8 55.7 28.7 15.8 34 43 A A G >< S+ 0 0 20 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.458 76.0 81.6 -60.7 -12.2 57.1 26.6 13.0 35 44 A V G X S+ 0 0 30 -3,-0.6 3,-0.8 1,-0.3 -1,-0.3 0.626 81.5 68.0 -61.6 -26.6 56.9 23.6 15.3 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.523 95.7 54.1 -63.5 -22.9 53.3 23.6 14.1 37 46 A Q G < S+ 0 0 8 -3,-1.3 -1,-0.2 -4,-0.1 2,-0.2 0.240 79.2 120.0-101.9 7.4 54.4 22.6 10.6 38 47 A E S X S- 0 0 104 -3,-0.8 3,-3.3 1,-0.1 -3,-0.0 -0.532 80.1-105.5 -69.6 150.4 56.4 19.5 11.5 39 48 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.699 117.7 62.1 -47.5 -31.6 55.3 16.2 10.0 40 49 A N T 3 S+ 0 0 115 2,-0.0 -1,-0.3 1,-0.0 -4,-0.0 0.573 88.9 85.7 -75.1 -6.2 53.8 15.1 13.3 41 50 A V S < S- 0 0 6 -3,-3.3 -28,-0.1 -6,-0.1 4,-0.1 -0.859 76.6-130.2-109.8 129.2 51.3 17.9 13.4 42 51 A P - 0 0 44 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.210 28.7-110.5 -63.7 157.7 48.0 17.6 11.6 43 52 A D S S+ 0 0 51 1,-0.2 14,-2.6 13,-0.1 15,-0.4 0.726 108.4 35.8 -65.4 -26.6 47.0 20.6 9.3 44 53 A L E S+ B 0 56A 4 12,-0.2 -1,-0.2 13,-0.1 12,-0.2 -0.964 79.8 176.0-135.1 110.7 44.3 21.7 11.7 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.0 -2,-0.4 2,-0.4 -0.636 25.8-135.1-113.9 169.0 44.8 21.3 15.5 46 55 A W E -aB 14 54A 11 -33,-2.1 -31,-3.6 8,-0.2 2,-0.4 -0.983 18.6-163.9-126.8 127.2 43.1 22.1 18.7 47 56 A T E - B 0 53A 0 6,-2.4 6,-1.8 -2,-0.4 -31,-0.2 -0.926 15.4-152.3-117.1 144.4 45.1 23.6 21.6 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.4 4,-0.2 3,-0.6 0.302 66.6 101.4 -94.8 3.9 43.8 23.7 25.1 49 58 A C G > S+ 0 0 12 -32,-0.4 3,-1.9 1,-0.2 4,-0.1 -0.579 79.2 23.0 -85.5 159.4 45.8 26.8 26.0 50 59 A N G 3 S- 0 0 47 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.767 140.5 -55.1 56.5 35.0 44.2 30.2 26.2 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.331 101.5 -64.7 84.1 -5.8 40.8 28.5 26.8 52 61 A G < + 0 0 8 -3,-1.9 256,-0.4 1,-0.1 2,-0.3 0.619 64.5 156.3 95.8 122.8 40.8 26.3 23.7 53 62 A H E -B 47 0A 1 -6,-1.8 -6,-2.4 -4,-0.1 256,-0.2 -0.963 38.5-100.2-163.2 164.8 40.8 27.1 20.0 54 63 A W E -Bc 46 309A 0 254,-1.8 256,-3.3 -2,-0.3 2,-0.3 -0.330 26.7-160.3 -85.2 157.6 41.7 25.7 16.6 55 64 A I E -Bc 45 310A 0 -10,-2.0 -10,-2.1 254,-0.3 2,-0.3 -0.906 9.5-146.8-139.7 120.7 44.9 26.7 14.7 56 65 A A E -B 44 0A 0 254,-1.4 -12,-0.2 -2,-0.3 259,-0.1 -0.637 12.9-168.3 -80.4 138.0 45.3 26.1 10.9 57 66 A T + 0 0 0 -14,-2.6 2,-0.3 -2,-0.3 -13,-0.1 0.499 54.1 69.2-115.2 -0.7 49.0 25.3 10.2 58 67 A R S > S- 0 0 5 -15,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.909 75.9-123.2-131.2 146.3 49.3 25.6 6.4 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 257,-0.3 5,-0.3 0.843 109.8 55.7 -46.7 -46.6 49.2 28.2 3.8 60 69 A Q H > S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 112.3 41.7 -58.4 -45.5 46.4 26.6 1.9 61 70 A L H > S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.892 111.7 53.7 -70.1 -44.0 44.1 26.5 4.9 62 71 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.897 111.5 46.8 -61.0 -45.0 44.9 30.0 6.3 63 72 A R H X S+ 0 0 48 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.816 112.1 49.2 -62.3 -43.3 44.1 31.5 2.9 64 73 A E H X S+ 0 0 73 -4,-1.4 4,-1.8 -5,-0.3 3,-0.3 0.916 111.4 48.9 -64.7 -46.9 40.8 29.6 2.5 65 74 A A H < S+ 0 0 0 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.860 111.7 51.8 -60.5 -36.1 39.7 30.6 6.0 66 75 A Y H < S+ 0 0 9 -4,-1.7 279,-0.5 -5,-0.2 -1,-0.2 0.770 110.5 46.1 -70.1 -34.2 40.6 34.2 5.1 67 76 A E H < S+ 0 0 126 -4,-1.4 2,-1.4 -3,-0.3 -2,-0.2 0.773 100.8 73.8 -73.0 -37.4 38.6 34.2 1.9 68 77 A D >X + 0 0 33 -4,-1.8 4,-3.0 1,-0.2 3,-0.6 -0.623 48.9 156.6 -75.6 48.7 35.6 32.6 3.6 69 78 A Y T 34 + 0 0 81 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.732 68.2 69.3 -58.9 -18.6 34.1 35.4 5.7 70 79 A R T 34 S+ 0 0 170 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.931 116.7 22.3 -62.9 -44.3 30.7 33.6 5.7 71 80 A H T <4 S+ 0 0 48 -3,-0.6 222,-1.8 1,-0.2 2,-0.8 0.870 126.4 50.4 -88.9 -42.3 32.1 30.9 7.9 72 81 A F E < S-D 292 0A 1 -4,-3.0 -1,-0.2 -7,-0.2 2,-0.2 -0.852 79.1-163.6-106.5 106.3 35.0 32.6 9.5 73 82 A S E > -D 291 0A 4 218,-2.7 218,-2.0 -2,-0.8 3,-0.7 -0.544 25.2-146.6 -97.2 143.8 33.9 35.9 11.0 74 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 1,-0.2 20,-0.1 0.483 76.6 101.9 -79.9 -3.6 36.0 38.8 12.1 75 84 A E T 3 S+ 0 0 124 1,-0.3 -1,-0.2 216,-0.2 12,-0.1 0.753 97.0 21.7 -47.9 -35.5 33.6 39.6 14.8 76 85 A C S < S+ 0 0 3 -3,-0.7 -1,-0.3 1,-0.1 8,-0.2 -0.724 75.6 157.0-140.6 81.8 35.9 38.0 17.4 77 86 A P + 0 0 1 0, 0.0 212,-2.8 0, 0.0 2,-0.4 0.448 49.6 75.4 -94.2 -10.1 39.4 38.0 15.8 78 87 A F S S- 0 0 15 210,-0.2 6,-0.7 3,-0.1 9,-0.1 -0.910 75.1-114.6-107.6 149.2 41.5 37.8 18.9 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.929 89.4 55.6-118.1 134.9 42.3 35.0 21.3 80 89 A P S > S- 0 0 29 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.536 88.3-124.7 -73.8 177.7 41.6 34.7 24.1 81 90 A R H > S+ 0 0 83 -31,-0.3 4,-2.9 2,-0.2 -3,-0.1 0.848 107.9 56.8 -60.4 -46.2 37.8 35.1 23.8 82 91 A E H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 111.5 45.8 -54.0 -41.1 37.5 38.0 26.3 83 92 A A H > S+ 0 0 7 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.897 114.3 46.4 -65.8 -52.1 40.0 39.8 24.1 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.7 -1,-0.2 0.812 113.7 51.0 -59.4 -36.8 38.2 38.9 20.9 85 94 A E H < S+ 0 0 139 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.943 111.7 44.2 -65.1 -50.9 34.9 39.9 22.6 86 95 A A H < S+ 0 0 21 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.2 0.464 90.8 106.8 -71.0 -13.7 36.1 43.3 23.8 87 96 A Y < + 0 0 13 -4,-0.8 -9,-0.1 1,-0.1 98,-0.0 -0.666 31.6 153.6 -73.8 123.6 37.7 43.9 20.4 88 97 A D + 0 0 38 -2,-0.4 -1,-0.1 143,-0.1 5,-0.1 0.190 17.9 144.7-142.1 21.8 35.6 46.5 18.4 89 98 A F > - 0 0 3 3,-0.1 4,-1.9 145,-0.1 143,-0.2 -0.126 47.8 -97.6 -62.2 147.7 38.1 48.1 16.1 90 99 A I T 4 S+ 0 0 0 141,-1.5 145,-0.3 1,-0.3 -2,-0.1 -0.958 94.5 3.2-118.5 139.6 37.0 49.1 12.7 91 100 A P T >4 S+ 0 0 9 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.995 123.4 65.4 -86.5 2.8 37.3 47.9 10.0 92 101 A T T 34 S+ 0 0 32 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.627 98.1 53.0 -65.7 -22.6 38.8 44.7 11.5 93 102 A S T 3< S+ 0 0 19 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.3 0.304 100.3 84.7-100.1 19.1 35.9 43.6 13.5 94 103 A M < - 0 0 17 -3,-2.0 -6,-0.0 -5,-0.1 -5,-0.0 -0.893 62.2-147.8-127.1 147.7 33.6 43.7 10.5 95 104 A D > - 0 0 37 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.723 44.7 -58.1-103.0 157.3 32.7 41.4 7.6 96 105 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.201 114.2 32.2 -61.4 151.7 31.8 42.5 4.1 97 106 A P T >4 S+ 0 0 115 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.953 126.8 43.9 -85.4 -18.8 29.7 44.2 2.9 98 107 A E T >> S+ 0 0 121 -3,-0.4 3,-1.2 1,-0.3 4,-0.8 0.888 108.4 59.2 -45.6 -51.8 29.7 46.4 6.0 99 108 A Q H 3X S+ 0 0 3 -4,-1.6 4,-2.9 1,-0.2 -1,-0.3 0.807 90.6 73.5 -48.0 -40.3 33.6 46.5 6.3 100 109 A R H <> S+ 0 0 165 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.724 93.0 48.7 -55.3 -36.8 34.0 48.0 2.8 101 110 A Q H <> S+ 0 0 55 -3,-1.2 4,-1.4 -4,-0.4 -1,-0.2 0.884 114.9 44.8 -72.8 -49.0 32.8 51.6 3.5 102 111 A F H X S+ 0 0 10 -4,-0.8 4,-2.5 2,-0.2 5,-0.2 0.886 112.0 53.6 -64.1 -40.2 35.0 51.9 6.6 103 112 A R H X S+ 0 0 68 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.941 103.4 57.2 -58.5 -42.0 37.9 50.4 4.7 104 113 A A H X S+ 0 0 52 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.889 111.2 43.0 -56.3 -41.5 37.4 53.0 2.0 105 114 A L H >X S+ 0 0 1 -4,-1.4 3,-1.1 2,-0.2 4,-1.0 0.914 108.8 54.7 -71.3 -47.3 37.9 55.8 4.6 106 115 A A H 3X S+ 0 0 3 -4,-2.5 4,-1.4 1,-0.3 3,-0.3 0.814 106.2 56.7 -57.2 -32.3 40.8 54.2 6.4 107 116 A N H 3X S+ 0 0 71 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.3 0.794 96.1 61.6 -67.7 -35.8 42.5 54.1 3.0 108 117 A Q H << S+ 0 0 119 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.818 113.0 39.4 -59.2 -39.6 42.0 57.9 2.5 109 118 A V H < S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.644 131.3 20.4 -75.4 -44.9 44.2 58.3 5.5 110 119 A V H < S+ 0 0 13 -4,-1.4 243,-0.3 100,-0.0 -3,-0.2 0.402 96.7 116.6-106.8 -12.7 46.9 55.5 5.1 111 120 A G S >X S- 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 3,-0.7 0.205 81.7 -78.7 -53.1 179.8 46.8 54.8 1.4 112 121 A M H 3> S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.810 124.1 53.9 -43.4 -56.7 49.3 55.1 -1.4 113 122 A P H 3> S+ 0 0 99 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.832 106.2 54.3 -61.1 -29.3 48.9 58.9 -2.0 114 123 A V H <> S+ 0 0 30 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.824 108.9 48.0 -70.6 -35.7 49.6 59.6 1.7 115 124 A V H X S+ 0 0 6 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.911 109.7 52.3 -72.7 -41.4 52.9 57.7 1.6 116 125 A D H >< S+ 0 0 102 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.885 111.7 47.9 -58.4 -43.4 53.9 59.4 -1.6 117 126 A K H 3< S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.796 115.5 43.3 -66.7 -36.2 53.2 62.7 0.2 118 127 A L H >X S+ 0 0 7 -4,-1.6 4,-1.8 1,-0.2 3,-0.7 0.439 83.5 103.8 -93.0 0.1 55.2 61.7 3.3 119 128 A E H XX S+ 0 0 51 -4,-0.9 4,-2.4 -3,-0.5 3,-0.5 0.878 77.2 50.3 -51.9 -52.1 58.1 60.2 1.5 120 129 A N H 3> S+ 0 0 141 -4,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.814 111.3 49.2 -60.0 -37.1 60.5 63.1 2.0 121 130 A R H <> S+ 0 0 114 -3,-0.7 4,-2.4 2,-0.2 -1,-0.3 0.732 108.6 54.0 -67.1 -38.4 59.8 63.2 5.8 122 131 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-2.1 0.985 111.3 51.4 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3,-0.3 -0.930 36.1-161.9-110.9 60.7 69.8 49.7 21.5 141 150 A F H >>S+ 0 0 0 252,-2.2 5,-3.7 -2,-0.8 4,-1.2 0.656 83.8 54.5 -31.7 -35.4 68.3 49.4 18.0 142 151 A T H 4>S+ 0 0 9 3,-0.2 5,-1.7 4,-0.2 -1,-0.2 0.969 121.6 27.0 -68.7 -52.8 64.8 48.7 19.5 143 152 A E H 45S+ 0 0 116 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.785 126.1 49.6 -76.6 -30.7 64.8 51.8 21.7 144 153 A D H <5S- 0 0 58 -4,-3.3 -3,-0.2 3,-0.1 -1,-0.2 0.513 134.1 -12.6 -81.8 -23.4 67.1 53.9 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.3 -3,-0.2 0.387 121.8 64.8-144.2 -53.5 65.6 53.5 16.0 146 155 A A T 4 S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.826 108.8 56.8 -54.3 -48.5 61.3 56.3 17.2 149 158 A F H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -3,-0.1 0.974 115.5 31.1 -52.8 -62.1 61.3 56.0 13.4 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.878 121.9 49.8 -68.4 -44.6 57.9 54.5 12.8 151 160 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.827 108.5 50.3 -66.5 -43.2 56.2 56.2 15.7 152 161 A R H X S+ 0 0 88 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.897 110.3 52.4 -64.3 -36.7 57.4 59.7 15.1 153 162 A I H X S+ 0 0 3 -4,-1.5 4,-0.9 -5,-0.4 -1,-0.2 0.806 113.3 43.9 -66.0 -32.7 56.2 59.3 11.5 154 163 A F H X S+ 0 0 12 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.818 108.3 55.8 -78.1 -43.7 52.8 58.2 12.6 155 164 A M H X>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 4,-1.0 0.933 110.5 49.2 -60.2 -37.6 52.5 60.9 15.4 156 165 A L H <5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.820 112.0 45.8 -59.4 -51.0 53.1 63.4 12.6 157 166 A L H <5S+ 0 0 16 -4,-0.9 53,-2.5 1,-0.2 -1,-0.2 0.795 119.0 42.2 -68.2 -33.5 50.5 61.9 10.3 158 167 A A H <5S- 0 0 0 -4,-2.2 53,-0.4 51,-0.2 -2,-0.2 0.453 107.7-126.9 -91.2 -14.8 48.0 61.6 13.1 159 168 A G T <5 + 0 0 35 -4,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.909 59.8 142.6 65.3 46.9 48.9 65.1 14.4 160 169 A L < - 0 0 12 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.890 55.3 -94.5-119.3 153.7 49.5 63.8 18.0 161 170 A P > - 0 0 48 0, 0.0 3,-2.8 0, 0.0 4,-0.3 -0.444 17.0-139.2 -71.7 135.6 52.1 64.8 20.5 162 171 A E G > S+ 0 0 99 1,-0.3 3,-1.0 -2,-0.3 -7,-0.0 0.715 102.2 69.8 -63.3 -16.9 55.4 62.9 20.8 163 172 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.608 90.0 61.3 -74.8 -18.1 55.0 63.3 24.5 164 173 A D G X> S+ 0 0 44 -3,-2.8 4,-2.6 1,-0.2 3,-0.6 0.604 79.7 93.2 -84.0 -10.7 52.1 60.9 24.4 165 174 A I H <> S+ 0 0 33 -3,-1.0 4,-3.1 -4,-0.3 5,-0.3 0.863 79.8 50.2 -49.0 -59.0 54.3 58.1 23.0 166 175 A P H 3> S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.834 116.2 43.3 -49.1 -45.1 55.3 56.3 26.2 167 176 A H H <> S+ 0 0 99 -3,-0.6 4,-1.7 -4,-0.3 -2,-0.2 0.965 116.5 44.6 -69.2 -54.7 51.7 56.1 27.4 168 177 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -3,-0.2 0.796 111.4 54.2 -60.0 -39.4 50.2 55.1 24.1 169 178 A K H X S+ 0 0 15 -4,-3.1 4,-2.6 -5,-0.2 3,-0.3 0.919 105.1 53.3 -63.7 -44.7 52.9 52.5 23.4 170 179 A Y H X S+ 0 0 102 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.901 111.7 45.7 -59.2 -44.8 52.4 50.8 26.8 171 180 A L H < S+ 0 0 5 -4,-1.7 4,-0.5 2,-0.2 -1,-0.3 0.780 111.2 52.0 -66.6 -36.6 48.7 50.4 26.0 172 181 A T H >X S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.3 4,-0.9 0.932 109.2 50.8 -67.5 -41.3 49.3 49.2 22.5 173 182 A D H >X S+ 0 0 42 -4,-2.6 4,-3.2 1,-0.3 3,-0.6 0.837 102.4 60.0 -60.6 -43.2 51.7 46.5 23.8 174 183 A Q H 3< S+ 0 0 11 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.654 104.9 51.6 -60.5 -28.8 49.1 45.3 26.4 175 184 A M H <4 S+ 0 0 5 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.687 122.5 25.4 -81.0 -33.2 46.8 44.5 23.5 176 185 A T H << S+ 0 0 2 -4,-0.9 210,-1.8 -3,-0.6 211,-0.4 0.740 136.0 26.8-102.3 -37.9 49.3 42.4 21.4 177 186 A R S < S- 0 0 28 -4,-3.2 -2,-0.1 -5,-0.2 -1,-0.1 -0.410 86.6-153.4-127.7 59.7 51.7 41.1 24.0 178 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.072 11.5-166.8 -41.2 136.4 49.6 41.1 27.2 179 188 A D - 0 0 102 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.568 40.6-113.1-107.6 -20.5 51.6 41.4 30.4 180 189 A G S S+ 0 0 73 2,-0.5 3,-0.1 -6,-0.2 -6,-0.0 0.106 95.6 103.9 98.3 -14.4 49.1 40.4 33.0 181 190 A S S S+ 0 0 61 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.843 91.3 9.7 -65.2 -39.1 49.1 44.0 34.3 182 191 A M S S- 0 0 38 -8,-0.1 -2,-0.5 3,-0.0 -3,-0.2 -0.997 75.5-117.7-145.4 148.2 45.8 44.8 32.6 183 192 A T > - 0 0 83 -2,-0.3 4,-1.3 -3,-0.1 5,-0.1 -0.284 38.3-106.3 -67.9 166.8 43.0 42.9 30.9 184 193 A F H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.901 119.5 54.2 -64.9 -46.6 42.3 43.7 27.2 185 194 A A H > S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.909 108.1 49.0 -57.3 -44.6 39.1 45.6 28.1 186 195 A E H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.789 113.4 48.0 -58.9 -42.6 40.9 47.9 30.5 187 196 A A H X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.827 111.4 48.2 -69.5 -41.9 43.6 48.6 27.9 188 197 A K H X S+ 0 0 24 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.805 111.6 53.5 -64.3 -39.3 41.1 49.3 25.1 189 198 A E H X S+ 0 0 92 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.881 107.0 48.0 -65.1 -44.9 39.3 51.6 27.6 190 199 A A H X S+ 0 0 27 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.763 112.3 50.0 -66.9 -35.2 42.4 53.7 28.5 191 200 A L H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.746 112.1 49.1 -68.5 -35.7 43.2 54.1 24.8 192 201 A Y H X S+ 0 0 7 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.792 105.2 56.1 -74.1 -34.8 39.6 55.1 24.3 193 202 A D H < S+ 0 0 118 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.755 109.6 49.5 -63.6 -37.9 39.7 57.6 27.1 194 203 A Y H X S+ 0 0 31 -4,-1.0 4,-0.8 -5,-0.1 -2,-0.2 0.915 113.8 42.3 -64.0 -58.1 42.7 59.1 25.3 195 204 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.836 97.7 73.2 -61.9 -48.9 41.1 59.4 21.9 196 205 A I H X S+ 0 0 61 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.865 100.1 42.5 -37.8 -62.3 37.6 60.7 22.9 197 206 A P H > S+ 0 0 59 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.889 115.9 51.1 -51.5 -46.8 38.6 64.2 23.8 198 207 A I H X S+ 0 0 22 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.855 110.8 46.1 -63.6 -45.4 40.8 64.4 20.7 199 208 A I H X S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.879 111.4 54.1 -64.1 -42.0 38.2 63.2 18.3 200 209 A E H >X S+ 0 0 103 -4,-2.5 4,-1.6 -5,-0.3 3,-1.5 0.964 108.9 48.4 -53.2 -57.9 35.7 65.7 19.9 201 210 A Q H 3X S+ 0 0 101 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.841 111.9 49.3 -48.3 -45.0 38.1 68.6 19.3 202 211 A R H 3< S+ 0 0 32 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.488 103.9 57.8 -81.8 -10.4 38.7 67.6 15.7 203 212 A R H << S+ 0 0 88 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.828 116.6 36.8 -83.7 -35.6 35.0 67.3 14.9 204 213 A Q H < S+ 0 0 136 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.922 133.4 24.5 -76.4 -54.9 34.6 70.9 16.0 205 214 A K S < S- 0 0 151 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.724 86.5-155.3-119.5 83.6 37.9 72.2 14.6 206 215 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.222 10.8-172.0 -62.5 139.7 39.1 70.0 11.8 207 216 A G - 0 0 42 -5,-0.2 -48,-0.0 2,-0.1 0, 0.0 -0.234 38.0-107.2-109.8-163.9 42.7 69.7 10.8 208 217 A T S S+ 0 0 138 -2,-0.1 -49,-0.1 4,-0.1 0, 0.0 0.265 83.3 109.6-110.5 -2.1 44.5 68.0 7.8 209 218 A D S > S- 0 0 23 -51,-0.1 4,-1.7 -50,-0.1 -51,-0.2 -0.106 85.7 -99.1 -71.2 172.7 45.8 65.2 10.0 210 219 A A H > S+ 0 0 6 -53,-2.5 4,-2.2 2,-0.2 -52,-0.2 0.903 120.2 50.3 -62.3 -46.6 44.6 61.6 10.0 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.856 108.8 52.1 -62.4 -42.2 42.3 61.8 13.0 212 221 A S H > S+ 0 0 2 2,-0.2 4,-1.0 1,-0.2 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