==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 27-JUL-92 1PHE . 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) . 17040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.7 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 . 11 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.8 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 1 1 2 0 0 2 0 2 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 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 49,-0.4 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 86.3 46.6 25.6 32.1 2 11 A L - 0 0 82 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.738 360.0-132.6 -99.3 135.6 44.7 23.4 29.7 3 12 A A - 0 0 27 45,-2.2 2,-0.1 -2,-0.3 49,-0.0 -0.688 36.6 -93.3 -89.4 143.6 41.0 23.6 29.3 4 13 A P - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.435 52.6 -98.0 -59.8 132.2 39.0 20.3 29.3 5 14 A L - 0 0 58 -2,-0.1 6,-0.0 1,-0.1 43,-0.0 -0.258 35.8-122.5 -55.8 126.3 38.5 19.1 25.7 6 15 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.422 28.6-106.9 -67.5 155.8 35.1 20.0 24.2 7 16 A P T 3 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.745 112.8 55.5 -52.8 -39.1 33.1 17.0 23.0 8 17 A H T 3 S+ 0 0 37 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.452 83.1 102.1 -79.9 -5.3 33.5 17.5 19.2 9 18 A V < - 0 0 9 -3,-1.6 2,-0.1 292,-0.1 5,-0.1 -0.803 69.4-136.9 -91.0 115.2 37.3 17.5 19.3 10 19 A P > - 0 0 48 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.375 17.9-133.4 -67.3 126.8 39.0 14.3 18.2 11 20 A E G > S+ 0 0 166 1,-0.3 3,-1.0 2,-0.2 35,-0.1 0.687 103.7 64.4 -60.4 -18.4 41.8 13.7 20.7 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.541 95.3 61.3 -81.2 -10.5 44.2 13.0 17.9 13 22 A L G < S+ 0 0 15 -3,-2.6 33,-2.4 32,-0.1 -1,-0.3 0.417 79.0 112.3 -92.2 -7.3 43.7 16.6 16.8 14 23 A V B < +a 46 0A 34 -3,-1.0 2,-0.3 31,-0.2 33,-0.2 -0.513 30.1 159.4 -72.0 133.8 45.1 17.9 20.2 15 24 A F - 0 0 57 31,-2.5 2,-1.6 -2,-0.2 30,-0.1 -0.821 34.0-141.3-153.4 99.5 48.4 19.8 19.9 16 25 A D + 0 0 60 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.468 33.3 164.5 -80.2 79.5 48.9 22.0 23.0 17 26 A F - 0 0 9 -2,-1.6 2,-0.6 32,-0.1 32,-0.5 -0.575 28.3-150.2 -92.1 133.2 50.5 25.2 21.6 18 27 A D > - 0 0 46 -2,-0.3 3,-1.8 1,-0.1 -2,-0.0 -0.933 3.3-163.8-105.7 97.2 50.6 28.3 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 366,-0.1 0.760 92.9 49.8 -54.6 -26.3 50.5 31.3 21.2 20 29 A Y T 3 S+ 0 0 42 1,-0.2 364,-0.3 -3,-0.1 -1,-0.3 0.520 129.3 15.0 -91.5 -12.9 51.7 33.4 24.1 21 30 A N S < S- 0 0 101 -3,-1.8 -1,-0.2 362,-0.1 -2,-0.2 -0.257 77.5-172.9-164.8 66.7 54.5 31.2 25.3 22 31 A P > - 0 0 3 0, 0.0 3,-1.0 0, 0.0 11,-0.1 -0.177 31.9-113.2 -63.3 155.6 55.5 28.6 22.7 23 32 A S T 3 S+ 0 0 122 1,-0.2 3,-0.3 9,-0.2 10,-0.1 0.818 105.7 47.6 -58.4 -50.5 58.1 26.0 23.6 24 33 A N T > + 0 0 79 8,-0.3 3,-2.7 1,-0.2 -1,-0.2 0.043 68.0 135.1 -87.6 27.0 61.1 26.8 21.5 25 34 A L G X + 0 0 32 -3,-1.0 3,-2.6 1,-0.3 357,-0.3 0.823 64.2 61.6 -45.4 -47.9 61.2 30.5 22.2 26 35 A S G 3 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.726 99.5 55.6 -50.0 -36.6 64.9 30.6 22.8 27 36 A A G < S- 0 0 57 -3,-2.7 -1,-0.3 1,-0.3 4,-0.2 0.348 129.0 -75.3 -79.2 -0.2 65.6 29.5 19.2 28 37 A G <> - 0 0 6 -3,-2.6 4,-1.6 -4,-0.2 -1,-0.3 -0.207 38.9 -98.0 116.7 150.3 63.6 32.4 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.873 119.9 46.2 -73.1 -47.0 59.9 33.1 17.5 30 39 A Q H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 114.1 52.2 -63.4 -43.5 59.3 32.0 13.9 31 40 A E H 4 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.884 107.1 53.3 -55.7 -41.4 61.2 28.9 14.7 32 41 A A H >< S+ 0 0 1 -4,-1.6 3,-0.6 1,-0.2 -8,-0.3 0.820 112.4 42.9 -62.8 -43.1 59.0 28.3 17.8 33 42 A W H >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.693 100.5 70.5 -75.1 -34.1 55.8 28.5 15.7 34 43 A A G >< S+ 0 0 21 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.506 76.6 81.6 -64.8 -12.1 57.1 26.4 12.9 35 44 A V G X S+ 0 0 31 -3,-0.6 3,-1.7 1,-0.3 -1,-0.3 0.811 81.3 66.4 -61.4 -35.4 57.0 23.4 15.2 36 45 A L G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.449 98.0 54.8 -57.0 -14.6 53.3 23.3 14.2 37 46 A Q G < S+ 0 0 6 -3,-1.7 -1,-0.3 3,-0.0 -2,-0.2 0.268 79.7 115.7-108.4 8.3 54.4 22.5 10.7 38 47 A E S X S- 0 0 108 -3,-1.7 3,-2.1 1,-0.1 -3,-0.0 -0.497 82.8-102.0 -68.5 159.5 56.5 19.4 11.5 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.697 117.2 62.3 -52.8 -36.5 55.3 16.0 10.1 40 49 A N T 3 S+ 0 0 112 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.453 89.2 90.0 -69.6 -7.4 53.8 14.8 13.4 41 50 A V S < S- 0 0 6 -3,-2.1 -28,-0.1 -6,-0.1 -26,-0.1 -0.867 74.4-133.6-104.6 124.9 51.3 17.7 13.3 42 51 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.307 28.3-113.1 -63.9 154.2 47.9 17.5 11.6 43 52 A D S S+ 0 0 52 1,-0.2 14,-2.5 13,-0.1 2,-0.4 0.666 106.7 36.3 -58.3 -38.3 47.1 20.5 9.4 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.2 13,-0.1 12,-0.2 -0.980 82.0 178.6-126.5 115.0 44.2 21.7 11.7 45 54 A V E - B 0 55A 0 10,-2.1 10,-1.4 -2,-0.4 2,-0.4 -0.652 25.7-133.6-117.4 166.6 44.8 21.2 15.4 46 55 A W E -aB 14 54A 13 -33,-2.4 -31,-2.5 8,-0.2 2,-0.4 -0.993 20.1-164.4-120.4 130.7 43.1 21.9 18.7 47 56 A T E - B 0 53A 0 6,-2.9 6,-1.8 -2,-0.4 -31,-0.2 -0.889 14.2-155.2-117.4 151.0 45.0 23.5 21.5 48 57 A R > + 0 0 75 -2,-0.4 -45,-2.2 4,-0.2 3,-0.6 0.395 66.3 93.1-101.3 -7.7 43.9 23.5 25.1 49 58 A C G > S+ 0 0 11 -32,-0.5 3,-1.6 1,-0.2 -2,-0.1 -0.536 82.7 28.5 -81.5 162.4 45.8 26.6 26.2 50 59 A N G 3 S- 0 0 45 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.714 142.1 -55.5 59.4 24.9 44.3 30.0 26.1 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.352 97.4 -66.9 91.2 0.7 40.9 28.4 26.6 52 61 A G < + 0 0 8 -3,-1.6 256,-0.3 1,-0.1 2,-0.3 0.524 67.0 156.3 87.8 126.4 40.9 26.0 23.7 53 62 A H E -B 47 0A 0 -6,-1.8 -6,-2.9 254,-0.1 256,-0.2 -0.908 39.7 -99.9-165.3 165.4 40.8 27.0 20.1 54 63 A W E -Bc 46 309A 0 254,-2.1 256,-2.5 -2,-0.3 2,-0.3 -0.369 25.9-158.6 -86.5 162.2 41.7 25.6 16.6 55 64 A I E -Bc 45 310A 0 -10,-1.4 -10,-2.1 254,-0.2 2,-0.4 -0.923 9.9-146.4-143.7 122.6 44.9 26.6 14.7 56 65 A A E -B 44 0A 0 254,-2.0 -12,-0.2 -2,-0.3 -13,-0.1 -0.768 15.1-169.8 -83.9 136.2 45.2 26.2 10.9 57 66 A T + 0 0 0 -14,-2.5 2,-0.4 -2,-0.4 -13,-0.1 0.441 52.9 74.8-113.7 -0.7 48.9 25.3 10.3 58 67 A R S >> S- 0 0 6 -15,-0.4 4,-2.2 1,-0.1 3,-1.0 -0.950 76.3-125.8-127.7 141.7 49.1 25.6 6.5 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.1 256,-0.3 5,-0.2 0.778 109.3 53.6 -40.3 -46.2 49.3 28.3 4.0 60 69 A Q H 3> S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.842 110.7 42.5 -66.5 -42.4 46.3 26.8 2.1 61 70 A L H <> S+ 0 0 1 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.841 112.3 54.1 -73.6 -43.4 43.9 26.5 5.0 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.952 110.8 46.3 -58.3 -51.2 44.8 30.0 6.4 63 72 A R H X S+ 0 0 50 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.935 114.7 48.4 -55.2 -48.5 44.1 31.7 3.0 64 73 A E H X S+ 0 0 77 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.884 111.7 47.4 -62.2 -45.1 40.9 29.7 2.7 65 74 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 7,-0.2 0.911 113.1 51.1 -65.5 -39.0 39.7 30.6 6.2 66 75 A Y H < S+ 0 0 6 -4,-2.9 279,-0.5 1,-0.2 280,-0.2 0.749 110.3 47.9 -66.7 -34.3 40.6 34.2 5.5 67 76 A E H < S+ 0 0 123 -4,-1.7 2,-1.3 -5,-0.2 -1,-0.2 0.762 99.3 73.2 -73.6 -40.1 38.7 34.3 2.2 68 77 A D >X + 0 0 33 -4,-1.5 4,-2.3 1,-0.2 3,-0.6 -0.668 50.2 160.3 -75.1 58.3 35.5 32.7 3.8 69 78 A Y T 34 + 0 0 80 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.766 67.3 69.7 -62.8 -22.5 34.0 35.5 5.9 70 79 A R T 34 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.880 116.2 21.7 -58.8 -42.6 30.6 33.7 5.9 71 80 A H T <4 S+ 0 0 45 -3,-0.6 222,-1.9 1,-0.3 2,-0.7 0.807 126.5 51.3 -93.3 -38.3 31.9 30.9 8.2 72 81 A F E < S-D 292 0A 0 -4,-2.3 -1,-0.3 -7,-0.2 220,-0.2 -0.848 78.8-165.4-110.6 99.2 34.9 32.6 9.7 73 82 A S E > -D 291 0A 2 218,-2.4 218,-2.6 -2,-0.7 3,-0.8 -0.520 28.0-143.9 -92.7 143.3 34.0 35.9 11.2 74 83 A S T 3 S+ 0 0 0 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.367 77.9 103.8 -81.6 6.2 36.1 38.8 12.3 75 84 A E T 3 S+ 0 0 119 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.817 95.0 18.9 -59.7 -30.4 33.7 39.4 15.1 76 85 A C S < S+ 0 0 3 -3,-0.8 -1,-0.3 1,-0.1 9,-0.2 -0.840 76.7 157.5-142.9 85.0 36.0 37.9 17.7 77 86 A P + 0 0 0 0, 0.0 212,-2.6 0, 0.0 2,-0.4 0.562 49.2 73.7 -98.6 -8.2 39.4 37.9 16.1 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.1 9,-0.1 -0.829 76.8-115.9-111.5 145.4 41.6 37.8 19.2 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.2 4,-0.2 307,-0.1 -0.899 88.0 58.7-111.2 141.5 42.3 34.8 21.4 80 89 A P S >> S- 0 0 28 0, 0.0 4,-1.6 0, 0.0 3,-0.9 0.635 89.8-123.1 -69.3 171.7 41.6 34.3 24.3 81 90 A R H 3> S+ 0 0 81 -31,-0.3 4,-2.0 1,-0.3 5,-0.1 0.817 106.8 58.5 -55.7 -51.4 37.9 34.8 24.0 82 91 A E H 3> S+ 0 0 131 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.727 110.6 46.8 -47.8 -35.2 37.4 37.6 26.5 83 92 A A H <> S+ 0 0 9 -3,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.869 111.2 48.6 -78.0 -44.7 39.8 39.6 24.4 84 93 A G H < S+ 0 0 0 -4,-1.6 -2,-0.2 -6,-0.6 -3,-0.2 0.769 113.1 51.4 -66.8 -26.3 38.2 38.8 21.1 85 94 A E H < S+ 0 0 138 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.905 110.1 44.9 -75.3 -44.4 34.9 39.7 22.7 86 95 A A H < S+ 0 0 21 -4,-1.3 2,-0.4 -5,-0.1 -2,-0.2 0.656 90.7 109.5 -75.6 -18.3 36.0 43.1 24.0 87 96 A Y < + 0 0 16 -4,-1.4 -9,-0.1 1,-0.2 98,-0.0 -0.472 29.4 150.5 -64.5 121.3 37.6 43.7 20.6 88 97 A D + 0 0 39 -2,-0.4 -1,-0.2 143,-0.1 5,-0.1 0.220 17.9 142.3-136.7 13.0 35.6 46.4 18.8 89 98 A F > - 0 0 3 3,-0.1 4,-1.8 145,-0.1 143,-0.2 -0.067 51.3 -96.6 -53.3 149.4 38.2 48.0 16.5 90 99 A I T 4 S+ 0 0 1 141,-1.5 145,-0.3 1,-0.2 -1,-0.1 -0.964 96.2 2.4-122.2 139.0 37.1 49.1 13.0 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.986 123.8 67.0 -88.0 -3.5 37.3 47.8 10.3 92 101 A T T 34 S+ 0 0 34 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.662 98.8 50.1 -53.2 -27.0 39.0 44.7 12.0 93 102 A S T 3< S+ 0 0 20 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.3 0.276 102.2 79.7-102.0 19.0 36.0 43.5 14.0 94 103 A M < - 0 0 17 -3,-1.7 -6,-0.0 -5,-0.1 -5,-0.0 -0.891 64.6-141.5-127.5 151.9 33.6 43.6 11.0 95 104 A D > - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.734 43.1 -57.7-106.8 157.3 32.8 41.5 8.0 96 105 A P T 4 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.245 113.0 33.1 -60.5 147.1 31.9 42.5 4.4 97 106 A P T >> S+ 0 0 115 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.956 127.7 39.3 -92.1 -15.8 29.7 44.2 3.3 98 107 A E H >> S+ 0 0 122 -3,-0.4 3,-1.2 1,-0.3 4,-0.9 0.910 111.2 60.7 -53.3 -50.3 29.7 46.5 6.4 99 108 A Q H 3X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.816 91.8 70.7 -46.5 -42.0 33.5 46.4 6.6 100 109 A R H <> S+ 0 0 166 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.764 94.1 49.2 -53.4 -39.5 33.8 47.9 3.1 101 110 A Q H X S+ 0 0 2 -4,-1.2 3,-1.1 2,-0.2 4,-0.9 0.954 111.4 48.3 -71.2 -54.2 37.7 55.7 4.8 106 115 A A H 3X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.3 3,-0.3 0.851 106.1 61.6 -56.6 -34.3 40.8 54.4 6.6 107 116 A N H 3X S+ 0 0 74 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.3 0.885 95.4 60.8 -61.1 -35.6 42.3 54.0 3.2 108 117 A Q H << S+ 0 0 118 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.870 110.2 40.5 -56.2 -47.7 42.0 57.7 2.7 109 118 A V H < S+ 0 0 8 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.573 131.0 21.5 -72.6 -34.2 44.3 58.4 5.7 110 119 A V H < S+ 0 0 12 -4,-1.3 243,-0.3 -3,-0.3 -2,-0.2 0.335 93.5 122.9-119.3 -6.8 47.0 55.6 5.2 111 120 A G S X S- 0 0 1 -4,-2.2 4,-1.5 -5,-0.3 3,-0.5 0.188 81.4 -85.9 -51.9-179.7 46.7 54.8 1.5 112 121 A M H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 125.6 58.3 -54.7 -50.3 49.4 54.9 -1.2 113 122 A P H > S+ 0 0 98 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.809 105.6 48.8 -54.3 -38.5 48.7 58.7 -1.9 114 123 A V H > S+ 0 0 25 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.857 112.2 48.2 -69.0 -43.0 49.4 59.6 1.8 115 124 A V H X S+ 0 0 7 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.867 106.7 57.0 -62.5 -47.2 52.7 57.6 1.8 116 125 A D H < S+ 0 0 110 -4,-2.7 3,-0.3 1,-0.2 4,-0.2 0.862 110.6 45.3 -48.5 -41.2 53.7 59.2 -1.5 117 126 A K H < S+ 0 0 154 -4,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.772 113.1 48.8 -74.0 -38.2 53.3 62.6 0.3 118 127 A L H >X S+ 0 0 10 -4,-1.6 4,-1.8 1,-0.2 3,-0.8 0.478 80.6 102.6 -87.7 -0.5 55.2 61.6 3.4 119 128 A E H 3X S+ 0 0 55 -4,-1.0 4,-2.3 -3,-0.3 5,-0.3 0.828 76.6 50.6 -47.7 -52.1 58.2 60.1 1.7 120 129 A N H 3> S+ 0 0 137 -3,-0.4 4,-2.1 1,-0.3 -1,-0.3 0.826 111.1 50.4 -64.9 -30.8 60.6 63.0 2.2 121 130 A R H <> S+ 0 0 120 -3,-0.8 4,-2.3 2,-0.2 -1,-0.3 0.805 109.4 51.5 -73.3 -34.5 59.8 63.0 5.9 122 131 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.968 115.3 40.9 -61.1 -52.6 60.4 59.3 6.1 123 132 A Q H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.841 114.6 53.3 -62.2 -40.4 63.7 59.6 4.4 124 133 A E H X S+ 0 0 105 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.892 110.8 45.1 -67.4 -47.7 64.6 62.7 6.4 125 134 A L H X S+ 0 0 23 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.878 112.8 51.4 -66.6 -36.9 63.9 61.0 9.8 126 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.971 110.5 46.6 -63.3 -54.6 65.8 57.9 8.9 127 136 A C H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.873 114.6 50.0 -55.9 -40.5 68.9 59.7 7.8 128 137 A S H X S+ 0 0 72 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.949 111.4 44.2 -65.1 -51.8 68.7 61.8 10.9 129 138 A L H X S+ 0 0 20 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.903 117.9 47.8 -62.1 -39.2 68.3 59.0 13.5 130 139 A I H >X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 3,-1.4 0.951 109.9 48.3 -66.1 -57.1 71.0 57.0 11.7 131 140 A E H 3< S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.879 110.3 54.2 -56.0 -35.4 73.6 59.8 11.4 132 141 A S H 3< S+ 0 0 71 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.764 113.4 42.5 -67.0 -29.7 73.1 60.6 15.0 133 142 A L H X<>S+ 0 0 12 -3,-1.4 3,-1.8 -4,-0.7 5,-0.5 0.854 96.0 81.8 -83.2 -39.0 73.8 56.9 15.9 134 143 A R G ><5S+ 0 0 38 -4,-3.0 3,-0.6 1,-0.3 -2,-0.1 0.617 87.6 47.8 -32.1 -56.6 76.8 56.4 13.6 135 144 A P G 3 5S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 100.1 69.6 -76.2 -11.4 79.6 57.9 15.6 136 145 A Q G < 5S- 0 0 113 -3,-1.8 -2,-0.2 -4,-0.2 3,-0.1 0.736 85.4-146.0 -75.3 -25.5 78.7 56.0 18.8 137 146 A G T < 5S+ 0 0 8 -3,-0.6 260,-1.7 -4,-0.5 2,-0.3 0.723 72.9 63.1 63.3 19.2 79.6 52.6 17.5 138 147 A Q E < +F 396 0B 129 -5,-0.5 2,-0.3 258,-0.2 258,-0.2 -0.952 51.9 153.9-169.1 138.9 76.7 51.2 19.6 139 148 A C E -F 395 0B 11 256,-1.8 256,-2.7 -2,-0.3 2,-0.8 -0.929 45.8-117.8-149.1-176.9 73.0 51.3 20.1 140 149 A N E > -F 394 0B 32 -2,-0.3 4,-3.2 254,-0.2 5,-0.3 -0.937 35.9-162.3-110.4 68.3 69.9 49.4 21.4 141 150 A F H >>S+ 0 0 0 252,-2.4 5,-3.4 -2,-0.8 4,-1.7 0.829 83.9 57.9 -40.2 -37.8 68.3 49.3 18.0 142 151 A T H 4>S+ 0 0 9 3,-0.2 5,-1.8 2,-0.2 -1,-0.2 0.960 120.9 24.9 -59.4 -55.4 65.0 48.5 19.5 143 152 A E H 45S+ 0 0 119 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.785 124.4 50.6 -79.5 -34.7 64.9 51.7 21.6 144 153 A D H <5S- 0 0 56 -4,-3.2 -3,-0.2 3,-0.1 -1,-0.2 0.500 135.2 -11.3 -76.7 -19.2 67.2 53.9 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -3,-0.2 0.433 119.8 67.7-146.6 -54.5 65.6 53.4 16.1 146 155 A A T 4 S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.912 107.7 58.2 -52.7 -57.2 61.3 56.3 17.3 149 158 A F H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 5,-0.2 0.933 116.4 28.0 -38.8 -73.1 61.4 55.9 13.5 150 159 A P H > S+ 0 0 2 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.841 120.4 55.8 -63.6 -39.0 57.9 54.5 12.9 151 160 A I H X S+ 0 0 1 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.905 106.6 47.4 -63.9 -48.3 56.3 56.2 15.9 152 161 A R H X S+ 0 0 86 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.774 110.5 52.6 -63.1 -31.8 57.3 59.7 15.1 153 162 A I H X S+ 0 0 2 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.826 113.5 45.3 -75.0 -27.6 56.1 59.4 11.5 154 163 A F H X S+ 0 0 17 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.922 109.8 52.5 -79.0 -46.7 52.8 58.2 12.8 155 164 A M H X>S+ 0 0 2 -4,-3.3 5,-1.8 1,-0.2 4,-1.7 0.967 111.6 49.6 -53.6 -45.8 52.6 60.9 15.5 156 165 A L H <5S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.9 48.4 -56.0 -42.5 53.2 63.3 12.6 157 166 A L H <5S+ 0 0 16 -4,-1.4 53,-2.2 1,-0.2 -1,-0.2 0.896 118.7 38.2 -66.7 -50.0 50.5 61.8 10.5 158 167 A A H <5S- 0 0 0 -4,-2.4 53,-0.3 51,-0.2 -1,-0.2 0.483 107.0-124.2 -75.4 -23.7 47.9 61.8 13.3 159 168 A G T <5 + 0 0 38 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.945 60.5 145.3 71.2 51.7 49.0 65.1 14.6 160 169 A L < - 0 0 13 -5,-1.8 2,-0.4 -6,-0.1 -1,-0.2 -0.886 54.1 -93.7-120.6 154.1 49.6 63.7 18.2 161 170 A P > - 0 0 48 0, 0.0 3,-3.9 0, 0.0 4,-0.5 -0.466 17.2-139.2 -72.1 128.3 52.3 64.7 20.7 162 171 A E G > S+ 0 0 93 -2,-0.4 3,-1.0 1,-0.3 -10,-0.0 0.765 103.1 70.9 -49.3 -25.2 55.6 62.8 20.9 163 172 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.764 89.1 61.2 -64.1 -30.0 55.1 63.1 24.6 164 173 A D G X> S+ 0 0 46 -3,-3.9 4,-2.2 1,-0.2 3,-0.8 0.638 77.1 97.5 -75.5 -18.2 52.3 60.6 24.4 165 174 A I H <> S+ 0 0 30 -3,-1.0 4,-2.7 -4,-0.5 -1,-0.2 0.777 78.8 48.3 -35.2 -59.0 54.5 57.8 23.0 166 175 A P H 3> S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.824 113.3 46.3 -59.0 -41.7 55.2 55.9 26.1 167 176 A H H <> S+ 0 0 97 -3,-0.8 4,-2.4 -4,-0.3 5,-0.2 0.988 116.6 44.0 -67.3 -55.3 51.7 55.7 27.4 168 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.832 112.2 54.5 -58.1 -38.5 50.3 54.6 23.9 169 178 A K H X S+ 0 0 13 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.965 108.5 47.7 -65.7 -45.4 53.2 52.2 23.5 170 179 A Y H X S+ 0 0 103 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.933 111.7 49.1 -63.2 -45.6 52.5 50.4 26.8 171 180 A L H X S+ 0 0 4 -4,-2.4 4,-0.6 2,-0.2 3,-0.4 0.927 111.1 51.0 -61.4 -39.4 48.7 50.1 26.1 172 181 A T H >X S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.2 4,-1.4 0.965 107.3 54.1 -59.1 -51.2 49.5 48.7 22.6 173 182 A D H 3X S+ 0 0 48 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.737 104.4 53.9 -51.6 -38.0 51.9 46.1 24.1 174 183 A Q H 3< S+ 0 0 7 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.639 106.9 53.0 -71.6 -24.2 49.2 44.8 26.5 175 184 A M H << S+ 0 0 7 -3,-2.1 -2,-0.2 -4,-0.6 -1,-0.2 0.873 123.0 24.9 -78.0 -44.3 46.8 44.2 23.6 176 185 A T H < S+ 0 0 11 -4,-1.4 210,-2.0 1,-0.1 211,-0.4 0.743 136.4 25.4 -88.4 -41.6 49.2 42.1 21.5 177 186 A R S < S- 0 0 23 -4,-1.9 -1,-0.1 -5,-0.3 -2,-0.1 -0.421 85.3-149.7-135.7 63.4 51.6 40.6 24.1 178 187 A P - 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.021 14.1-169.0 -44.9 127.1 49.7 40.5 27.4 179 188 A D - 0 0 107 3,-0.2 4,-0.1 4,-0.0 -5,-0.1 0.665 45.6-110.3 -84.1 -36.7 51.9 40.9 30.5 180 189 A G S S+ 0 0 74 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.050 98.7 101.3 116.1 -14.7 49.2 40.0 33.0 181 190 A S S S+ 0 0 64 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.669 88.0 19.2 -69.6 -31.2 49.2 43.6 34.2 182 191 A M S S- 0 0 39 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.973 72.6-126.4-149.1 136.3 46.1 44.5 32.3 183 192 A T > - 0 0 82 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.354 37.8-108.4 -67.5 159.9 43.1 42.7 30.8 184 193 A F H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.884 118.7 53.3 -60.3 -45.3 42.3 43.5 27.1 185 194 A A H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 109.2 48.1 -60.2 -44.3 39.2 45.5 28.0 186 195 A E H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 113.9 46.4 -61.9 -48.8 41.1 47.7 30.5 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.905 113.8 50.1 -60.0 -42.4 43.9 48.4 27.9 188 197 A K H X S+ 0 0 16 -4,-2.5 4,-1.1 2,-0.2 3,-0.2 0.896 109.8 50.0 -63.8 -42.8 41.2 49.0 25.3 189 198 A E H X S+ 0 0 86 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.913 108.9 50.9 -62.1 -45.5 39.3 51.4 27.6 190 199 A A H X S+ 0 0 25 -4,-2.3 4,-1.0 2,-0.3 -1,-0.2 0.721 108.0 51.7 -64.2 -34.4 42.4 53.5 28.5 191 200 A L H X S+ 0 0 2 -4,-1.3 4,-1.7 -3,-0.2 -1,-0.3 0.758 112.2 50.9 -70.2 -33.9 43.4 53.9 24.8 192 201 A Y H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.2 -2,-0.3 0.839 102.9 53.6 -71.6 -41.9 39.8 55.1 24.5 193 202 A D H < S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.9 53.0 -57.5 -38.0 39.9 57.7 27.4 194 203 A Y H X S+ 0 0 30 -4,-1.0 4,-0.8 -5,-0.2 -2,-0.2 0.962 113.8 39.0 -60.7 -55.4 42.9 59.0 25.5 195 204 A L H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.794 97.4 73.6 -71.7 -42.3 41.2 59.3 22.1 196 205 A I H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.867 99.9 43.3 -39.3 -62.1 37.7 60.6 23.0 197 206 A P H > S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.901 114.2 51.6 -52.2 -50.6 38.6 64.2 23.9 198 207 A I H X S+ 0 0 20 -4,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.882 110.9 48.3 -56.4 -44.0 41.0 64.4 20.9 199 208 A I H X S+ 0 0 2 -4,-2.7 4,-0.6 2,-0.2 3,-0.4 0.895 109.4 52.8 -65.8 -43.0 38.2 63.2 18.6 200 209 A E H >X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 3,-1.1 0.913 108.8 50.3 -51.3 -55.4 35.7 65.7 20.1 201 210 A Q H 3X S+ 0 0 107 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.769 111.0 48.6 -51.4 -39.1 38.1 68.6 19.5 202 211 A R H 3< S+ 0 0 34 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.437 105.4 56.3 -91.4 -6.8 38.6 67.5 15.8 203 212 A R H << S+ 0 0 84 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.870 118.6 35.7 -84.0 -44.2 34.9 67.2 15.1 204 213 A Q H < S+ 0 0 147 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.977 134.4 21.7 -64.0 -66.5 34.6 70.8 16.2 205 214 A K S < S- 0 0 73 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.722 83.3-159.2-117.1 81.5 37.9 72.2 14.9 206 215 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.291 10.5-176.1 -65.5 138.0 39.3 70.1 12.1 207 216 A G - 0 0 41 -2,-0.1 -48,-0.0 2,-0.1 -5,-0.0 -0.092 43.0 -99.4-102.9-155.8 42.8 70.0 11.0 208 217 A T S S+ 0 0 137 -2,-0.1 2,-0.1 4,-0.1 -49,-0.1 0.146 83.0 116.2-115.1 6.3 44.4 68.1 8.1 209 218 A D S >> S- 0 0 21 -51,-0.1 4,-2.0 1,-0.1 3,-0.6 -0.361 82.5-103.5 -78.6 162.2 45.7 65.2 10.3 210 219 A A H 3> S+ 0 0 8 -53,-2.2 4,-2.3 1,-0.3 5,-0.2 0.895 120.1 55.2 -56.1 -38.2 44.5 61.6 10.0 211 220 A I H 3> S+ 0 0 5 -53,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.860 107.5 46.6 -65.2 -40.2 42.3 62.0 13.1 212 221 A S H <> S+ 0 0 2 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.851 113.1 51.0 -68.9 -39.9 40.4 65.0 11.8 213 222 A I H < S+ 0 0 66 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.831 114.7 42.3 -66.4 -41.6 39.9 63.3 8.5 214 223 A V H >< S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.922 112.0 55.6 -68.2 -49.8 38.5 60.1 10.2 215 224 A A H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.696 117.0 33.6 -54.5 -25.4 36.4 62.1 12.7 216 225 A N T 3< S+ 0 0 74 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.078 94.7 124.0-120.3 14.8 34.5 64.1 10.0 217 226 A G < - 0 0 8 -3,-1.8 7,-2.8 6,-0.1 2,-0.4 -0.312 57.9-116.3 -80.2 171.8 34.3 61.3 7.3 218 227 A Q E -H 223 0C 112 5,-0.2 2,-0.4 -2,-0.1 3,-0.1 -0.901 24.0-176.9-110.4 136.3 31.4 59.8 5.5 219 228 A V E > S-H 222 0C 1 3,-2.9 3,-1.1 -2,-0.4 -117,-0.1 -0.983 76.7 -11.2-133.5 115.1 30.3 56.2 5.7 220 229 A N T 3 S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.3 -118,-0.0 0.955 127.6 -56.3 56.7 55.9 27.3 55.0 3.7 221 230 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.258 123.1 89.1 64.7 -9.0 26.3 58.6 2.7 222 231 A R E < S-H 219 0C 94 -3,-1.1 -3,-2.9 1,-0.1 2,-0.2 -0.711 87.3 -90.2-112.2 164.5 26.0 59.7 6.3 223 232 A P E -H 218 0C 84 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.504 46.0-106.6 -71.1 145.1 28.6 61.2 8.7 224 233 A I - 0 0 3 -7,-2.8 2,-0.2 -10,-0.2 -4,-0.0 -0.371 36.0-121.5 -69.4 149.1 30.6 58.8 10.9 225 234 A T > - 0 0 66 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.472 22.3-108.8 -82.6 171.1 29.5 58.7 14.5 226 235 A S H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.811 119.1 51.3 -65.9 -45.3 31.9 59.5 17.3 227 236 A D H > S+ 0 0 80 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.938 109.0 53.4 -63.0 -47.3 32.1 55.9 18.6 228 237 A E H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 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