==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 27-JUL-92 1PHF . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 67.9 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 . 1 0.2 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 . 60 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 1 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 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 0 190 0, 0.0 2,-0.4 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 100.5 46.5 26.0 32.3 2 11 A L - 0 0 84 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.820 360.0-137.1-105.9 130.0 44.5 23.7 30.0 3 12 A A - 0 0 22 45,-2.1 49,-0.0 -2,-0.4 46,-0.0 -0.744 38.0 -95.3 -82.6 143.0 40.8 24.0 29.3 4 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.260 46.5-103.0 -58.0 136.5 38.9 20.8 29.2 5 14 A L - 0 0 56 1,-0.1 6,-0.0 2,-0.1 43,-0.0 -0.502 35.5-127.5 -66.0 125.7 38.5 19.4 25.6 6 15 A P > - 0 0 33 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.398 28.0-103.6 -64.4 165.6 34.9 20.1 24.3 7 16 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.747 112.3 60.8 -60.6 -45.9 33.1 17.1 22.9 8 17 A H T 3 S+ 0 0 41 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.473 84.0 98.9 -69.7 -1.1 33.4 17.7 19.2 9 18 A V S < S- 0 0 10 -3,-1.2 2,-0.3 292,-0.1 5,-0.1 -0.790 70.5-137.1 -96.1 117.3 37.2 17.6 19.3 10 19 A P > - 0 0 46 0, 0.0 3,-3.5 0, 0.0 4,-0.2 -0.517 18.4-133.6 -64.6 124.8 39.0 14.4 18.3 11 20 A E G > S+ 0 0 171 -2,-0.3 3,-1.2 1,-0.3 35,-0.1 0.670 104.5 66.1 -54.0 -20.0 41.7 13.9 20.9 12 21 A H G 3 S+ 0 0 145 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.484 94.5 58.1 -77.9 -15.7 44.1 13.2 18.0 13 22 A L G < S+ 0 0 14 -3,-3.5 33,-2.7 32,-0.1 -1,-0.3 0.295 82.1 114.7 -93.3 -0.7 43.7 16.8 16.8 14 23 A V B < +a 46 0A 34 -3,-1.2 2,-0.2 31,-0.2 33,-0.2 -0.532 29.1 158.7 -74.7 138.0 44.9 18.1 20.2 15 24 A F - 0 0 55 31,-2.5 2,-1.8 -2,-0.2 30,-0.1 -0.776 34.5-140.4-157.5 101.4 48.2 20.1 20.1 16 25 A D + 0 0 59 -2,-0.2 2,-0.4 31,-0.2 31,-0.1 -0.512 33.3 165.6 -80.6 83.1 48.7 22.4 23.1 17 26 A F - 0 0 8 -2,-1.8 2,-0.7 32,-0.1 32,-0.3 -0.786 26.3-153.3 -91.7 126.4 50.3 25.5 21.7 18 27 A D > - 0 0 48 -2,-0.4 3,-1.9 3,-0.2 -2,-0.0 -0.907 2.7-164.0-102.5 103.1 50.3 28.7 23.9 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.709 91.4 53.0 -61.2 -18.4 50.4 31.6 21.4 20 29 A Y T 3 S+ 0 0 41 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.548 127.8 16.7 -91.6 -12.2 51.5 33.8 24.3 21 30 A N S < S- 0 0 102 -3,-1.9 -1,-0.2 362,-0.1 -3,-0.2 -0.347 76.1-171.4-164.2 70.7 54.3 31.5 25.3 22 31 A P > - 0 0 3 0, 0.0 3,-0.6 0, 0.0 11,-0.1 -0.178 30.1-119.0 -59.0 161.3 55.4 29.0 22.6 23 32 A S T 3 S+ 0 0 118 9,-0.2 3,-0.4 1,-0.2 10,-0.1 0.874 105.2 50.7 -75.9 -46.6 57.9 26.4 23.8 24 33 A N T > + 0 0 89 8,-0.2 3,-1.8 1,-0.2 4,-0.4 0.009 69.4 134.1 -85.8 35.4 60.9 27.0 21.5 25 34 A L G X + 0 0 33 -3,-0.6 3,-2.4 1,-0.3 357,-0.2 0.854 64.8 59.7 -50.3 -48.9 60.9 30.7 22.3 26 35 A S G 3 S+ 0 0 129 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.750 99.6 57.5 -47.0 -39.3 64.7 30.8 22.9 27 36 A A G < S- 0 0 55 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.537 127.9 -78.9 -70.2 -20.1 65.3 29.6 19.3 28 37 A G <> - 0 0 7 -3,-2.4 4,-1.6 -4,-0.4 -1,-0.3 -0.368 38.5 -94.9 130.4 159.4 63.4 32.6 18.0 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.879 120.9 44.9 -74.4 -48.1 59.7 33.5 17.6 30 39 A Q H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 115.2 50.6 -62.6 -43.8 59.1 32.3 14.0 31 40 A E H 4 S+ 0 0 62 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 108.5 53.2 -63.2 -41.0 61.0 29.1 14.7 32 41 A A H >< S+ 0 0 1 -4,-1.6 3,-1.0 1,-0.2 -8,-0.2 0.912 112.3 43.1 -62.1 -47.7 58.9 28.6 17.9 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.802 101.3 70.0 -63.1 -42.6 55.6 28.9 15.9 34 43 A A G >< S+ 0 0 19 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.450 74.2 84.1 -59.4 -11.1 56.9 26.7 13.0 35 44 A V G X S+ 0 0 27 -3,-1.0 3,-1.7 1,-0.2 -1,-0.3 0.774 79.4 69.4 -60.3 -26.1 56.8 23.6 15.3 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.627 95.0 55.1 -63.0 -17.6 53.1 23.6 14.2 37 46 A Q G < S+ 0 0 8 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.232 79.1 120.1-105.9 10.9 54.5 22.6 10.8 38 47 A E S X S- 0 0 101 -3,-1.7 3,-2.8 1,-0.1 -3,-0.0 -0.470 80.3-105.2 -69.0 157.3 56.4 19.5 11.8 39 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.799 118.3 60.4 -53.4 -34.6 55.4 16.2 10.3 40 49 A N T 3 S+ 0 0 117 2,-0.0 -1,-0.3 0, 0.0 -4,-0.1 0.502 88.4 84.4 -68.8 -12.6 53.7 15.2 13.6 41 50 A V S < S- 0 0 6 -3,-2.8 4,-0.1 -6,-0.1 -28,-0.1 -0.903 75.9-132.3-105.9 126.5 51.2 18.0 13.6 42 51 A P - 0 0 45 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.251 29.9-107.1 -63.0 157.1 47.9 17.7 11.7 43 52 A D S S+ 0 0 50 1,-0.2 14,-2.8 13,-0.1 15,-0.5 0.675 109.7 33.2 -57.9 -31.6 47.0 20.7 9.5 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.974 80.0 171.4-135.9 115.9 44.2 21.8 11.8 45 54 A V E - B 0 55A 0 10,-1.9 10,-1.5 -2,-0.4 2,-0.4 -0.764 27.3-129.7-124.3 170.9 44.8 21.3 15.5 46 55 A W E -aB 14 54A 12 -33,-2.7 -31,-2.5 -2,-0.3 2,-0.4 -0.997 17.4-161.6-126.1 131.9 43.1 22.2 18.8 47 56 A T E - B 0 53A 0 6,-2.7 6,-1.7 -2,-0.4 -31,-0.2 -0.870 14.4-152.8-114.2 145.6 45.0 23.8 21.7 48 57 A R > + 0 0 83 -2,-0.4 -45,-2.1 4,-0.2 3,-0.7 0.382 68.1 100.0 -90.7 -2.6 43.6 23.8 25.2 49 58 A C G > S+ 0 0 10 -32,-0.3 3,-1.7 1,-0.2 -2,-0.1 -0.513 80.0 24.0 -81.4 159.7 45.5 27.0 26.1 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.799 141.3 -58.2 56.3 33.3 44.0 30.4 26.1 51 60 A G G < S- 0 0 58 -3,-0.7 -1,-0.3 -50,-0.3 -2,-0.2 0.445 99.7 -56.8 76.4 6.5 40.7 28.6 26.6 52 61 A G < + 0 0 8 -3,-1.7 256,-0.3 1,-0.1 2,-0.3 0.673 66.6 155.1 97.1 124.5 40.6 26.4 23.6 53 62 A H E -B 47 0A 1 -6,-1.7 -6,-2.7 254,-0.1 256,-0.2 -0.959 39.1-105.1-169.5 154.4 40.7 27.2 19.9 54 63 A W E -Bc 46 309A 0 254,-2.1 256,-2.8 -2,-0.3 2,-0.3 -0.360 25.9-159.8 -77.5 158.4 41.6 25.8 16.5 55 64 A I E -Bc 45 310A 0 -10,-1.5 -10,-1.9 254,-0.2 2,-0.5 -0.928 9.0-148.0-139.7 127.9 44.9 26.7 14.7 56 65 A A E -B 44 0A 0 254,-1.8 -12,-0.2 -2,-0.3 259,-0.1 -0.870 13.2-170.1 -94.6 129.2 45.3 26.2 10.9 57 66 A T + 0 0 0 -14,-2.8 2,-0.4 -2,-0.5 -13,-0.1 0.399 53.7 77.1-105.2 -0.9 49.0 25.5 10.3 58 67 A R S > S- 0 0 6 -15,-0.5 4,-2.8 1,-0.1 3,-0.5 -0.923 73.9-129.9-121.2 144.6 49.2 25.6 6.5 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.3 256,-0.3 5,-0.2 0.820 109.1 54.0 -47.2 -48.6 49.3 28.3 4.0 60 69 A Q H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.908 112.6 43.6 -62.8 -42.2 46.5 26.7 1.9 61 70 A L H > S+ 0 0 2 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.922 112.2 51.0 -70.3 -46.4 44.2 26.6 4.9 62 71 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.937 111.1 49.9 -57.2 -44.8 44.9 30.1 6.2 63 72 A R H X S+ 0 0 53 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.935 112.8 46.4 -60.8 -48.9 44.3 31.5 2.8 64 73 A E H X S+ 0 0 72 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.893 111.7 48.8 -59.3 -48.7 40.9 29.7 2.4 65 74 A A H < S+ 0 0 1 -4,-2.9 7,-0.3 1,-0.2 -1,-0.2 0.885 111.6 53.6 -61.4 -37.7 39.7 30.6 5.9 66 75 A Y H < S+ 0 0 8 -4,-2.3 279,-0.5 -5,-0.3 -1,-0.2 0.806 109.9 45.0 -63.5 -39.2 40.7 34.2 5.0 67 76 A E H < S+ 0 0 122 -4,-1.7 2,-1.2 1,-0.2 -1,-0.2 0.736 100.3 75.7 -72.5 -36.3 38.7 34.3 1.8 68 77 A D >X + 0 0 37 -4,-1.6 4,-2.6 1,-0.2 3,-0.6 -0.654 46.8 157.3 -75.4 47.5 35.7 32.7 3.4 69 78 A Y T 34 + 0 0 74 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.600 67.6 72.1 -57.1 -14.4 34.0 35.4 5.5 70 79 A R T 34 S+ 0 0 163 1,-0.1 -1,-0.2 -3,-0.1 223,-0.1 0.959 116.9 18.1 -64.4 -45.9 30.7 33.6 5.4 71 80 A H T <4 S+ 0 0 43 -3,-0.6 222,-2.1 1,-0.2 2,-0.8 0.850 126.3 53.2 -92.2 -43.8 32.0 31.0 7.8 72 81 A F E < S-D 292 0A 2 -4,-2.6 2,-0.3 -7,-0.3 -1,-0.2 -0.912 76.5-167.5-103.0 105.3 35.0 32.6 9.3 73 82 A S E > -D 291 0A 5 218,-3.5 218,-2.4 -2,-0.8 3,-0.6 -0.663 28.5-145.9 -99.1 146.1 34.0 36.0 10.8 74 83 A S T 3 S+ 0 0 0 -2,-0.3 20,-0.1 1,-0.2 -1,-0.1 0.540 76.5 104.2 -82.9 -8.4 36.1 38.9 12.0 75 84 A E T 3 S+ 0 0 138 1,-0.3 -1,-0.2 216,-0.1 12,-0.1 0.732 97.6 20.7 -40.3 -37.1 33.5 39.6 14.7 76 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.795 77.1 159.1-142.3 81.3 35.8 38.0 17.3 77 86 A P + 0 0 1 0, 0.0 212,-2.5 0, 0.0 2,-0.4 0.433 49.9 74.2 -90.8 -5.4 39.3 38.1 15.7 78 87 A F S S- 0 0 17 3,-0.2 6,-0.6 210,-0.2 7,-0.1 -0.910 74.0-117.8-119.3 144.9 41.4 37.8 18.9 79 88 A I S S+ 0 0 3 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.941 91.4 57.4-112.8 136.1 42.1 34.9 21.2 80 89 A P S >> S- 0 0 29 0, 0.0 4,-2.0 0, 0.0 3,-0.9 0.530 91.3-126.5 -71.0 163.8 41.5 34.7 24.1 81 90 A R H 3> S+ 0 0 81 -31,-0.4 4,-2.5 1,-0.2 3,-0.2 0.877 107.1 56.0 -45.2 -56.5 37.7 35.2 23.5 82 91 A E H 3> S+ 0 0 130 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.794 109.7 47.7 -48.6 -38.2 37.4 38.1 26.0 83 92 A A H <4 S+ 0 0 9 -3,-0.9 4,-0.4 2,-0.2 -1,-0.3 0.864 114.8 44.9 -68.1 -45.3 40.1 39.9 24.0 84 93 A G H < S+ 0 0 0 -4,-2.0 -2,-0.2 -6,-0.6 -1,-0.2 0.746 116.3 48.2 -70.2 -27.8 38.4 39.2 20.7 85 94 A E H < S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.941 109.0 51.4 -78.0 -44.3 35.0 40.1 22.3 86 95 A A S < S+ 0 0 19 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 0.467 93.2 91.8 -71.2 -9.2 36.2 43.4 23.8 87 96 A Y + 0 0 9 -4,-0.4 -9,-0.1 1,-0.1 98,-0.0 -0.799 38.0 163.4 -97.3 134.8 37.7 44.6 20.5 88 97 A D + 0 0 43 -2,-0.4 -1,-0.1 143,-0.1 143,-0.1 0.023 21.0 153.1-143.1 29.0 35.5 46.6 18.2 89 98 A F > - 0 0 5 3,-0.1 4,-2.6 145,-0.1 143,-0.2 -0.229 41.5-108.2 -64.7 143.8 38.1 48.1 15.9 90 99 A I T 4 S+ 0 0 0 141,-1.2 145,-0.3 2,-0.2 -2,-0.1 -0.945 91.9 10.5-118.6 143.2 36.9 49.0 12.4 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.992 125.2 61.5 -83.5 0.4 37.3 47.8 9.7 92 101 A T T 34 S+ 0 0 33 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.761 100.8 50.9 -61.2 -33.6 38.9 44.8 11.4 93 102 A S T 3< S+ 0 0 21 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 0.250 103.1 77.5 -92.4 19.3 35.9 43.6 13.4 94 103 A M < - 0 0 14 -3,-1.7 -6,-0.0 -20,-0.1 -5,-0.0 -0.908 65.1-142.7-129.0 155.3 33.5 43.7 10.4 95 104 A D >> - 0 0 32 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.679 44.7 -51.8-107.8 161.8 32.8 41.5 7.4 96 105 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.254 114.4 27.8 -60.4 149.3 32.0 42.5 3.9 97 106 A P T 34 S+ 0 0 109 0, 0.0 4,-0.5 0, 0.0 3,-0.4 -0.973 127.4 44.3 -92.0 -6.8 30.0 44.3 2.7 98 107 A E T X> S+ 0 0 118 -3,-0.6 3,-1.6 1,-0.2 4,-0.8 0.965 109.5 60.7 -56.8 -51.0 29.8 46.5 5.8 99 108 A Q H 3X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.802 92.0 69.2 -38.0 -53.9 33.6 46.4 6.0 100 109 A R H 3> S+ 0 0 163 -3,-0.4 4,-1.2 1,-0.2 -1,-0.3 0.657 93.8 49.9 -46.5 -43.2 34.1 48.0 2.6 101 110 A Q H <> S+ 0 0 51 -3,-1.6 4,-1.4 -4,-0.5 -1,-0.2 0.939 113.8 46.2 -67.7 -49.9 32.8 51.6 3.3 102 111 A F H X S+ 0 0 8 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.820 111.0 53.7 -58.2 -38.0 35.0 52.0 6.4 103 112 A R H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.862 102.2 57.2 -64.4 -42.4 38.0 50.6 4.5 104 113 A A H X S+ 0 0 53 -4,-1.2 4,-0.7 -5,-0.2 -1,-0.2 0.894 110.4 45.2 -59.0 -39.4 37.6 53.1 1.7 105 114 A L H >X S+ 0 0 2 -4,-1.4 4,-1.3 2,-0.2 3,-1.0 0.896 109.3 53.1 -68.4 -46.9 37.9 55.9 4.3 106 115 A A H 3X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.3 5,-0.2 0.857 105.5 57.8 -57.8 -32.6 40.9 54.3 6.2 107 116 A N H 3X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.794 97.7 59.9 -66.6 -34.4 42.5 54.2 2.8 108 117 A Q H << S+ 0 0 116 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.897 110.9 42.0 -60.8 -46.2 42.1 57.9 2.4 109 118 A V H < S+ 0 0 6 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.625 132.6 16.2 -68.9 -38.2 44.2 58.3 5.5 110 119 A V H < S+ 0 0 12 -4,-1.4 243,-0.3 100,-0.0 -3,-0.2 0.426 93.8 116.2-115.1 -18.5 47.0 55.7 4.9 111 120 A G S >X S- 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 3,-0.6 0.188 82.5 -75.8 -47.8-174.2 46.9 54.8 1.3 112 121 A M H >> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 3,-1.0 0.841 123.8 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0.927 111.7 47.5 -55.7 -50.4 53.2 63.5 12.5 157 166 A L H 3<5S+ 0 0 18 -4,-1.4 53,-2.1 1,-0.2 -1,-0.3 0.778 118.2 39.6 -61.2 -39.1 50.6 61.9 10.3 158 167 A A H 3<5S- 0 0 1 -4,-2.0 53,-0.4 -3,-0.3 -1,-0.2 0.380 107.9-121.7 -95.1 -10.0 47.9 61.7 13.0 159 168 A G T <<5 + 0 0 33 -4,-1.3 -3,-0.2 -3,-0.6 -4,-0.1 0.885 61.5 143.1 67.0 49.8 48.7 65.2 14.4 160 169 A L < - 0 0 16 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.2 -0.836 54.1 -95.1-121.3 153.9 49.5 63.9 18.0 161 170 A P > - 0 0 47 0, 0.0 3,-3.3 0, 0.0 4,-0.4 -0.528 17.5-136.7 -70.4 134.3 52.1 65.1 20.5 162 171 A E G > S+ 0 0 91 -2,-0.3 3,-1.9 1,-0.3 -7,-0.0 0.832 103.6 69.9 -55.0 -29.1 55.4 63.3 20.8 163 172 A E G 3 S+ 0 0 151 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.669 89.9 60.7 -62.0 -21.4 54.9 63.5 24.5 164 173 A D G X> S+ 0 0 49 -3,-3.3 4,-2.6 1,-0.2 3,-0.6 0.584 79.1 91.6 -86.3 -11.2 52.1 61.0 24.3 165 174 A I H <> S+ 0 0 34 -3,-1.9 4,-3.0 -4,-0.4 5,-0.2 0.838 81.7 50.3 -49.1 -57.9 54.3 58.2 22.9 166 175 A P H 3> S+ 0 0 98 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.837 116.2 45.6 -50.3 -40.8 55.4 56.5 26.2 167 176 A H H <> S+ 0 0 102 -3,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.911 116.4 41.5 -69.6 -53.3 51.7 56.4 27.2 168 177 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -3,-0.2 0.862 110.0 58.0 -64.2 -41.7 50.3 55.2 24.0 169 178 A K H X S+ 0 0 15 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.882 105.4 50.8 -60.8 -39.3 53.0 52.7 23.3 170 179 A Y H X S+ 0 0 100 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.929 110.0 48.5 -66.6 -47.8 52.3 50.9 26.7 171 180 A L H X S+ 0 0 5 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.872 112.9 49.4 -58.9 -40.3 48.6 50.6 26.0 172 181 A T H >X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.8 0.897 108.0 52.8 -67.9 -42.3 49.4 49.2 22.6 173 182 A D H 3X S+ 0 0 47 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.846 104.4 58.5 -60.0 -38.5 51.9 46.7 24.0 174 183 A Q H 3< S+ 0 0 8 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.786 105.5 49.2 -61.1 -36.3 49.2 45.5 26.4 175 184 A M H << S+ 0 0 4 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.804 121.8 29.0 -73.5 -40.4 46.8 44.6 23.5 176 185 A T H < S+ 0 0 5 -4,-1.4 210,-1.8 1,-0.2 211,-0.4 0.801 137.2 23.3 -93.2 -34.1 49.3 42.6 21.3 177 186 A R S < S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 -0.447 86.6-153.0-135.2 66.6 51.6 41.2 24.0 178 187 A P - 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.006 8.7-163.9 -47.7 131.5 49.5 41.3 27.2 179 188 A D - 0 0 110 3,-0.3 4,-0.1 -5,-0.1 -5,-0.1 0.717 38.0-115.4 -90.1 -39.7 51.6 41.6 30.3 180 189 A G S S+ 0 0 71 2,-0.6 3,-0.1 -6,-0.1 -6,-0.0 0.104 95.4 102.6 113.7 -14.8 49.0 40.6 32.9 181 190 A S S S+ 0 0 67 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.682 93.8 13.4 -65.6 -29.3 49.2 44.1 34.4 182 191 A M S S- 0 0 36 -8,-0.1 -2,-0.6 4,-0.0 -3,-0.3 -0.963 76.8-121.5-154.3 142.3 45.9 44.9 32.6 183 192 A T > - 0 0 79 -2,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.307 37.3-103.8 -68.7 172.3 43.1 43.0 30.9 184 193 A F H > S+ 0 0 23 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.874 118.2 51.9 -68.8 -45.4 42.1 43.8 27.2 185 194 A A H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 111.2 46.3 -61.4 -45.3 39.0 45.7 28.1 186 195 A E H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.913 114.0 50.0 -58.1 -46.4 40.8 48.0 30.5 187 196 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.932 112.6 46.8 -62.4 -44.7 43.5 48.5 27.9 188 197 A K H X S+ 0 0 20 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.804 111.2 52.0 -62.5 -41.6 41.0 49.3 25.2 189 198 A E H X S+ 0 0 90 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.905 108.9 47.8 -63.2 -46.1 39.1 51.7 27.5 190 199 A A H X S+ 0 0 33 -4,-2.2 4,-1.4 2,-0.3 -2,-0.2 0.885 110.8 50.6 -65.7 -42.3 42.2 53.8 28.4 191 200 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.3 0.803 114.5 47.8 -60.7 -37.2 43.3 54.1 24.8 192 201 A Y H X S+ 0 0 2 -4,-1.0 4,-2.1 2,-0.2 -2,-0.3 0.768 103.1 57.7 -72.7 -35.6 39.7 55.2 24.2 193 202 A D H < S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.766 109.5 51.7 -60.3 -33.3 39.7 57.7 27.1 194 203 A Y H X S+ 0 0 31 -4,-1.4 4,-0.7 -5,-0.2 -2,-0.2 0.937 111.8 40.1 -63.2 -65.3 42.6 59.2 25.2 195 204 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.779 100.3 74.3 -61.5 -39.5 41.1 59.5 21.7 196 205 A I H X S+ 0 0 59 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.872 97.2 43.5 -45.5 -58.4 37.7 60.7 22.8 197 206 A P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.842 116.2 53.3 -58.4 -32.4 38.5 64.3 23.8 198 207 A I H X S+ 0 0 21 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.887 107.0 46.6 -70.1 -49.5 40.6 64.4 20.6 199 208 A I H X S+ 0 0 1 -4,-2.7 4,-1.2 2,-0.2 5,-0.2 0.906 108.8 58.4 -62.7 -39.1 37.9 63.3 18.2 200 209 A E H >X S+ 0 0 107 -4,-2.2 4,-2.1 -5,-0.2 3,-1.2 0.956 108.4 45.9 -46.9 -56.5 35.6 65.8 19.8 201 210 A Q H 3X S+ 0 0 113 -4,-1.7 4,-3.4 1,-0.3 -1,-0.2 0.777 111.9 49.3 -56.9 -44.2 38.0 68.6 19.0 202 211 A R H 3< S+ 0 0 35 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.532 107.5 54.4 -82.9 -11.2 38.6 67.6 15.4 203 212 A R H << S+ 0 0 84 -4,-1.2 -2,-0.2 -3,-1.2 -1,-0.2 0.924 118.5 36.5 -82.2 -44.6 34.9 67.3 14.6 204 213 A Q H < S+ 0 0 148 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.951 135.4 21.0 -62.9 -60.5 34.5 70.9 15.9 205 214 A K S < S- 0 0 74 -4,-3.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.665 85.4-156.0-120.4 83.5 37.8 72.2 14.5 206 215 A P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 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-2,-0.2 0.057 94.4 123.2-112.7 20.0 34.8 64.2 9.5 217 226 A G < - 0 0 8 -3,-2.1 7,-2.0 -5,-0.0 2,-0.4 -0.334 57.2-121.7 -88.7 166.8 34.5 61.4 6.9 218 227 A Q E -H 223 0C 114 5,-0.2 2,-0.4 -2,-0.1 3,-0.1 -0.906 23.9-179.8-109.6 135.9 31.5 60.0 5.0 219 228 A V E > S-H 222 0C 0 3,-3.0 3,-0.7 -2,-0.4 -117,-0.1 -0.911 74.6 -12.0-142.1 107.8 30.5 56.3 5.1 220 229 A N T 3 S- 0 0 120 -2,-0.4 2,-1.1 1,-0.2 -1,-0.1 0.983 125.7 -57.8 62.7 57.6 27.5 55.1 3.1 221 230 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.021 123.5 83.3 66.1 -25.9 26.3 58.7 2.3 222 231 A R E < S-H 219 0C 90 -2,-1.1 -3,-3.0 -3,-0.7 2,-0.3 -0.543 88.5 -89.1 -98.9 169.2 26.0 59.8 6.0 223 232 A P E -H 218 0C 85 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.581 43.1-106.4 -83.0 141.5 28.6 61.0 8.4 224 233 A I - 0 0 2 -7,-2.0 2,-0.2 -2,-0.3 -4,-0.0 -0.236 37.5-119.4 -61.4 148.9 30.6 58.6 10.5 225 234 A T > - 0 0 65 1,-0.1 4,-1.9 -9,-0.0 5,-0.2 -0.573 20.7-111.1 -86.9 168.6 29.6 58.7 14.2 226 235 A S H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 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