==== 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 1PHA . 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) . 17109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 65.9 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 . 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 . 12 3.0 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 . 150 37.0 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 0 191 0, 0.0 49,-0.5 0, 0.0 50,-0.3 0.000 360.0 360.0 360.0 92.2 46.6 25.8 32.3 2 11 A L - 0 0 85 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.759 360.0-129.1 -99.4 148.1 44.7 23.8 29.7 3 12 A A - 0 0 23 45,-2.4 49,-0.0 -2,-0.3 0, 0.0 -0.787 36.4 -92.3 -95.0 147.6 40.9 23.9 29.2 4 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.234 50.2 -99.8 -61.3 137.7 38.8 20.7 29.1 5 14 A L - 0 0 58 1,-0.1 6,-0.0 2,-0.1 43,-0.0 -0.447 33.5-122.9 -66.2 125.4 38.4 19.3 25.7 6 15 A P > - 0 0 29 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.399 26.3-112.2 -66.1 149.9 35.0 20.1 24.0 7 16 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.738 111.8 58.3 -55.0 -37.2 33.0 17.0 22.9 8 17 A H T 3 S+ 0 0 38 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.439 84.3 94.4 -77.3 -3.1 33.5 17.7 19.2 9 18 A V S < S- 0 0 8 -3,-1.9 2,-0.1 292,-0.1 5,-0.1 -0.852 71.6-135.3 -99.0 118.4 37.3 17.6 19.2 10 19 A P > - 0 0 47 0, 0.0 3,-2.0 0, 0.0 36,-0.1 -0.427 17.3-131.3 -65.5 135.7 39.0 14.3 18.3 11 20 A E G > S+ 0 0 172 1,-0.3 3,-1.1 2,-0.2 35,-0.1 0.675 105.2 67.0 -65.8 -16.6 41.9 13.8 20.7 12 21 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.529 95.4 57.4 -78.2 -12.6 44.2 13.1 17.8 13 22 A L G < S+ 0 0 14 -3,-2.0 33,-2.8 32,-0.1 2,-0.3 0.338 81.3 115.1 -97.9 2.7 43.8 16.7 16.8 14 23 A V B < +a 46 0A 34 -3,-1.1 2,-0.3 31,-0.2 33,-0.2 -0.562 28.5 158.2 -79.9 132.4 45.1 18.0 20.1 15 24 A F - 0 0 59 31,-2.6 2,-1.8 -2,-0.3 30,-0.1 -0.802 34.9-140.4-153.9 104.9 48.3 19.9 20.0 16 25 A D + 0 0 57 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.493 33.2 166.4 -81.2 78.0 48.8 22.2 23.0 17 26 A F - 0 0 8 -2,-1.8 2,-0.7 32,-0.1 32,-0.3 -0.734 25.4-154.0 -90.1 129.2 50.4 25.4 21.5 18 27 A D > - 0 0 46 -2,-0.4 3,-1.6 3,-0.2 -2,-0.0 -0.918 2.2-163.9-106.6 96.3 50.5 28.5 23.7 19 28 A M T 3 S+ 0 0 2 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.660 91.0 49.8 -54.4 -21.9 50.6 31.4 21.2 20 29 A Y T 3 S+ 0 0 39 1,-0.2 364,-0.4 -3,-0.0 -1,-0.3 0.538 128.7 16.9 -91.7 -18.9 51.7 33.6 24.1 21 30 A N S < S- 0 0 102 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.373 77.2-174.1-158.5 71.9 54.5 31.4 25.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.0 0, 0.0 11,-0.1 -0.301 33.0-112.3 -68.2 151.3 55.5 28.8 22.7 23 32 A S T 3 S+ 0 0 122 1,-0.2 3,-0.3 9,-0.2 10,-0.1 0.780 106.3 39.9 -60.1 -48.1 58.0 26.2 23.8 24 33 A N T > + 0 0 84 8,-0.2 3,-1.7 1,-0.2 4,-0.3 -0.216 67.6 138.5-104.1 48.6 61.2 26.9 21.9 25 34 A L G X + 0 0 33 -3,-1.0 3,-2.0 1,-0.3 357,-0.3 0.825 64.6 69.3 -55.4 -31.3 61.0 30.6 22.1 26 35 A S G 3 S+ 0 0 127 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.799 93.1 56.0 -54.2 -40.4 64.7 30.6 22.8 27 36 A A G < S- 0 0 54 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.526 128.8 -78.3 -70.5 -14.6 65.4 29.5 19.2 28 37 A G <> - 0 0 5 -3,-2.0 4,-2.0 -4,-0.3 -1,-0.3 -0.277 39.9 -94.6 122.2 153.0 63.5 32.6 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.901 121.8 47.4 -68.8 -47.8 59.8 33.4 17.4 30 39 A Q H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 114.7 49.5 -61.1 -42.0 59.3 32.2 13.8 31 40 A E H 4 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.880 107.8 53.8 -65.1 -40.1 61.2 29.0 14.7 32 41 A A H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -8,-0.2 0.879 112.6 43.6 -62.3 -43.3 59.0 28.5 17.8 33 42 A W H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.772 99.4 71.1 -67.6 -39.8 55.8 28.7 15.7 34 43 A A G >< S+ 0 0 21 -4,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.517 75.6 83.5 -57.7 -13.0 57.2 26.5 12.9 35 44 A V G X S+ 0 0 29 -3,-0.7 3,-1.5 -4,-0.3 -1,-0.3 0.801 81.0 65.6 -57.9 -33.2 56.9 23.5 15.3 36 45 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.465 96.2 56.2 -62.2 -19.3 53.2 23.5 14.1 37 46 A Q G < S+ 0 0 8 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.234 79.6 120.1-104.7 12.8 54.4 22.6 10.6 38 47 A E S X S- 0 0 107 -3,-1.5 3,-2.5 1,-0.1 -3,-0.0 -0.407 79.9-106.7 -71.9 154.1 56.4 19.5 11.6 39 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.708 117.9 61.4 -52.8 -29.6 55.4 16.1 10.1 40 49 A N T 3 S+ 0 0 114 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.469 90.3 88.2 -79.9 -4.1 53.8 15.0 13.4 41 50 A V S < S- 0 0 8 -3,-2.5 -28,-0.1 -6,-0.1 -26,-0.1 -0.870 75.0-131.8-106.8 125.2 51.3 17.9 13.3 42 51 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.209 29.3-109.7 -63.8 154.6 48.0 17.7 11.6 43 52 A D S S+ 0 0 51 1,-0.2 14,-3.0 13,-0.1 15,-0.5 0.746 108.6 30.3 -55.6 -31.5 47.0 20.6 9.2 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.2 13,-0.1 -1,-0.2 -0.966 78.7 172.8-139.8 117.0 44.4 21.7 11.7 45 54 A V E - B 0 55A 0 10,-1.9 10,-2.0 -2,-0.4 2,-0.4 -0.715 27.3-129.8-121.9 169.8 44.8 21.2 15.4 46 55 A W E -aB 14 54A 13 -33,-2.8 -31,-2.6 -2,-0.2 2,-0.4 -0.979 19.0-159.9-120.3 133.7 43.1 22.2 18.6 47 56 A T E - B 0 53A 0 6,-2.9 6,-2.0 -2,-0.4 -31,-0.2 -0.899 13.2-152.8-114.9 147.9 45.1 23.7 21.5 48 57 A R > + 0 0 82 -2,-0.4 -45,-2.4 4,-0.2 3,-0.6 0.362 67.6 100.4 -97.1 0.1 43.8 23.6 25.1 49 58 A C G > S+ 0 0 13 -32,-0.3 3,-1.8 1,-0.2 -2,-0.1 -0.502 79.5 23.1 -81.2 160.0 45.7 26.7 26.0 50 59 A N G 3 S- 0 0 44 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.804 141.9 -53.2 53.0 33.7 44.2 30.2 26.1 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.383 101.8 -62.8 89.9 -5.4 40.8 28.5 26.6 52 61 A G < + 0 0 7 -3,-1.8 256,-0.4 1,-0.1 2,-0.3 0.559 66.8 159.7 97.3 123.5 40.8 26.2 23.6 53 62 A H E -B 47 0A 0 -6,-2.0 -6,-2.9 254,-0.1 256,-0.2 -0.965 37.1-104.4-165.1 158.2 40.9 27.1 20.0 54 63 A W E -Bc 46 309A 0 254,-2.4 256,-3.0 -2,-0.3 2,-0.4 -0.430 26.4-161.0 -79.4 162.5 41.7 25.7 16.5 55 64 A I E -Bc 45 310A 0 -10,-2.0 -10,-1.9 254,-0.3 2,-0.4 -0.953 10.3-146.6-146.9 120.8 44.9 26.7 14.6 56 65 A A E -B 44 0A 0 254,-2.0 -12,-0.2 -2,-0.4 259,-0.1 -0.740 14.9-171.1 -85.0 133.3 45.2 26.2 10.9 57 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.4 -13,-0.1 0.474 54.7 69.1-108.1 -5.5 48.9 25.4 10.2 58 67 A R S >> S- 0 0 6 -15,-0.5 4,-1.9 1,-0.1 3,-0.6 -0.940 76.3-125.9-122.2 144.9 49.3 25.5 6.4 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.0 256,-0.3 5,-0.2 0.743 108.6 58.5 -54.2 -38.1 49.1 28.4 4.0 60 69 A Q H 3> S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.909 110.9 41.5 -60.4 -48.1 46.4 26.7 1.9 61 70 A L H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.797 112.2 54.1 -68.7 -41.3 44.1 26.5 4.9 62 71 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.905 111.6 45.2 -61.0 -44.4 44.9 30.0 6.2 63 72 A R H X S+ 0 0 48 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.879 112.6 50.4 -67.4 -44.2 44.1 31.6 2.8 64 73 A E H >X S+ 0 0 73 -4,-1.7 4,-1.7 1,-0.2 3,-0.5 0.917 111.8 47.7 -61.1 -47.1 40.9 29.7 2.4 65 74 A A H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.769 111.3 52.3 -61.5 -39.0 39.7 30.6 5.8 66 75 A Y H 3< S+ 0 0 7 -4,-1.5 279,-0.5 1,-0.2 -1,-0.2 0.682 110.4 47.0 -68.8 -31.6 40.6 34.2 5.1 67 76 A E H << S+ 0 0 117 -4,-1.3 2,-1.4 -3,-0.5 -2,-0.2 0.765 100.1 73.1 -75.5 -38.9 38.6 34.3 1.9 68 77 A D >X + 0 0 37 -4,-1.7 4,-2.6 1,-0.2 3,-0.9 -0.564 48.7 156.3 -74.9 47.9 35.6 32.6 3.6 69 78 A Y T 34 + 0 0 80 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.704 66.7 71.9 -53.8 -20.1 34.1 35.4 5.7 70 79 A R T 34 S+ 0 0 173 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.919 116.3 19.3 -61.3 -44.4 30.7 33.7 5.6 71 80 A H T <4 S+ 0 0 46 -3,-0.9 222,-2.0 1,-0.2 2,-0.8 0.787 126.5 53.4 -94.6 -37.7 32.0 30.9 7.9 72 81 A F E < S-D 292 0A 1 -4,-2.6 2,-0.3 -7,-0.2 -1,-0.2 -0.848 78.7-165.1-106.8 100.4 35.0 32.6 9.5 73 82 A S E > -D 291 0A 3 218,-3.0 218,-1.9 -2,-0.8 3,-0.7 -0.576 26.4-144.7 -94.1 146.4 33.9 35.9 10.9 74 83 A S T 3 S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 20,-0.1 0.407 77.7 102.5 -80.7 -2.1 36.1 38.8 12.0 75 84 A E T 3 S+ 0 0 115 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.790 96.3 21.4 -51.6 -37.8 33.6 39.6 14.9 76 85 A C S < S+ 0 0 2 -3,-0.7 -1,-0.3 1,-0.1 9,-0.1 -0.816 77.2 158.1-134.9 88.6 35.9 37.9 17.4 77 86 A P + 0 0 3 0, 0.0 212,-3.4 0, 0.0 2,-0.4 0.487 49.9 67.1 -96.7 -8.9 39.4 38.0 15.8 78 87 A F S S- 0 0 27 210,-0.2 6,-0.6 3,-0.2 9,-0.1 -0.896 77.4-107.8-121.3 150.2 41.7 37.6 18.8 79 88 A I S S+ 0 0 4 -2,-0.4 2,-0.2 4,-0.2 -28,-0.1 -0.896 91.8 56.5-110.3 137.7 42.3 34.9 21.3 80 89 A P S >> S- 0 0 14 0, 0.0 4,-2.0 0, 0.0 3,-1.9 0.574 88.8-125.4 -78.7 159.8 41.6 34.6 24.1 81 90 A R H 3> S+ 0 0 78 -31,-0.4 4,-2.4 1,-0.3 -3,-0.2 0.795 108.4 58.1 -40.7 -45.1 37.8 35.0 23.6 82 91 A E H 3> S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.796 108.9 46.6 -59.8 -33.5 37.5 37.9 26.1 83 92 A A H <> S+ 0 0 0 -3,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.895 115.2 44.7 -71.7 -49.6 40.2 39.8 24.1 84 93 A G H < S+ 0 0 0 -4,-2.0 -2,-0.2 -6,-0.6 -1,-0.2 0.777 115.8 50.8 -65.0 -26.1 38.4 39.0 20.8 85 94 A E H < S+ 0 0 132 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.956 109.1 48.0 -74.9 -45.4 35.1 39.9 22.6 86 95 A A H < S+ 0 0 19 -4,-2.4 2,-0.5 -5,-0.1 -1,-0.2 0.537 94.0 95.6 -71.0 -18.2 36.3 43.2 23.9 87 96 A Y < + 0 0 13 -4,-0.9 -9,-0.1 1,-0.1 98,-0.0 -0.688 33.3 156.1 -94.1 133.6 37.7 44.3 20.6 88 97 A D + 0 0 40 -2,-0.5 -1,-0.1 143,-0.1 143,-0.1 0.059 20.2 151.9-140.6 24.6 35.5 46.4 18.4 89 98 A F > - 0 0 9 145,-0.1 4,-3.0 3,-0.1 143,-0.2 -0.306 44.4 -98.5 -65.7 151.8 38.1 48.1 16.2 90 99 A I T 4 S+ 0 0 0 141,-1.2 145,-0.3 1,-0.3 -2,-0.1 -0.924 96.2 6.5-119.2 138.1 36.9 49.1 12.7 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.983 123.9 64.4 -86.5 5.7 37.3 47.9 10.1 92 101 A T T 34 S+ 0 0 37 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.789 99.6 49.9 -63.8 -34.3 38.8 44.8 11.7 93 102 A S T 3< S+ 0 0 21 -4,-3.0 2,-0.3 -18,-0.1 -1,-0.3 0.310 101.8 83.8 -92.8 19.3 35.8 43.5 13.7 94 103 A M < - 0 0 13 -3,-1.5 -6,-0.0 -5,-0.1 -5,-0.0 -0.884 63.3-147.4-121.7 152.5 33.5 43.8 10.7 95 104 A D >> - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.611 43.7 -57.7-108.1 158.2 32.8 41.5 7.7 96 105 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.383 112.3 35.4 -67.6 152.7 31.8 42.6 4.2 97 106 A P T 34 S+ 0 0 112 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.996 126.5 41.9 -84.3 -12.4 29.8 44.3 2.9 98 107 A E T X> S+ 0 0 122 -3,-0.6 3,-1.3 1,-0.2 4,-0.9 0.880 108.7 61.1 -61.5 -41.2 29.8 46.6 5.9 99 108 A Q H 3X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.857 90.0 71.8 -51.5 -46.3 33.6 46.6 6.2 100 109 A R H 3> S+ 0 0 159 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.651 94.8 49.5 -45.1 -40.9 34.0 48.0 2.7 101 110 A Q H <> S+ 0 0 52 -3,-1.3 4,-1.4 -4,-0.4 -1,-0.2 0.906 113.9 44.2 -70.8 -49.3 32.8 51.6 3.6 102 111 A F H X S+ 0 0 9 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.853 112.8 53.6 -62.8 -36.7 35.0 51.9 6.7 103 112 A R H X S+ 0 0 64 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.946 103.1 56.4 -62.4 -46.9 37.9 50.5 4.7 104 113 A A H X S+ 0 0 51 -4,-1.5 4,-0.6 1,-0.3 -1,-0.2 0.852 110.9 45.0 -54.4 -40.2 37.5 53.0 2.0 105 114 A L H X S+ 0 0 3 -4,-1.4 4,-0.9 2,-0.2 3,-0.4 0.823 109.6 51.8 -71.9 -45.8 37.9 55.8 4.6 106 115 A A H X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 5,-0.2 0.791 106.0 58.8 -61.7 -31.4 40.9 54.3 6.4 107 116 A N H X S+ 0 0 73 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.780 96.1 61.2 -65.7 -35.4 42.5 54.1 3.0 108 117 A Q H < S+ 0 0 124 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.846 111.7 40.8 -58.8 -39.7 42.0 57.9 2.6 109 118 A V H < S+ 0 0 5 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.591 129.9 18.9 -79.6 -37.2 44.3 58.2 5.6 110 119 A V H < S+ 0 0 12 -4,-1.1 243,-0.3 -3,-0.1 -3,-0.2 0.392 95.3 116.8-112.5 -20.0 47.1 55.7 5.2 111 120 A G S >X S- 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 3,-1.2 0.172 81.9 -78.4 -52.1 176.6 47.0 54.8 1.5 112 121 A M H 3> S+ 0 0 106 1,-0.3 4,-2.2 2,-0.2 5,-0.2 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0.851 97.4 72.4 -61.3 -47.1 41.1 59.4 22.0 196 205 A I H X S+ 0 0 62 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.869 99.6 44.0 -42.0 -60.9 37.6 60.7 23.0 197 206 A P H > S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.895 113.7 52.3 -54.9 -42.5 38.6 64.3 23.8 198 207 A I H X S+ 0 0 20 -4,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.884 109.9 47.8 -61.6 -46.3 40.8 64.5 20.7 199 208 A I H X S+ 0 0 2 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.913 110.3 50.8 -61.0 -47.9 38.0 63.3 18.4 200 209 A E H >X S+ 0 0 106 -4,-2.5 4,-1.8 -5,-0.2 3,-1.4 0.958 111.3 50.7 -53.0 -50.0 35.5 65.7 19.9 201 210 A Q H 3X S+ 0 0 115 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.836 110.0 48.8 -56.0 -40.5 38.0 68.5 19.4 202 211 A R H 3< S+ 0 0 39 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.462 105.5 57.4 -86.6 -2.5 38.6 67.5 15.7 203 212 A R H << S+ 0 0 83 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.884 114.4 38.7 -87.0 -44.5 34.9 67.4 14.9 204 213 A Q H < S+ 0 0 156 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.967 134.8 18.9 -67.3 -61.2 34.5 71.0 16.0 205 214 A K S < S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 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