==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 04-JUN-91 2CP4 . 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) . 17196.0 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.1 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 . 3 0.7 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 2 1 2 0 0 2 0 2 2 0 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 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 0 192 0, 0.0 49,-0.5 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0 88.8 46.4 25.9 32.2 2 11 A L - 0 0 82 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.703 360.0-134.1 -92.7 141.5 44.8 23.6 29.7 3 12 A A - 0 0 20 45,-1.9 2,-0.2 -2,-0.3 49,-0.1 -0.616 36.9 -89.9 -91.2 157.3 41.0 23.8 29.2 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.529 50.9-100.0 -73.1 135.9 39.0 20.6 29.2 5 14 A L - 0 0 60 -2,-0.2 6,-0.0 2,-0.1 43,-0.0 -0.513 39.3-124.3 -59.5 122.7 38.8 19.2 25.7 6 15 A P > - 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.492 28.1-105.8 -63.2 159.1 35.3 20.2 24.3 7 16 A P T 3 S+ 0 0 133 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.697 112.7 56.4 -60.2 -39.5 33.3 17.2 23.1 8 17 A H T 3 S+ 0 0 43 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.476 83.4 102.6 -73.9 -9.4 33.6 17.6 19.4 9 18 A V < - 0 0 9 -3,-1.5 2,-0.3 292,-0.1 5,-0.1 -0.748 69.3-136.8 -85.9 111.3 37.4 17.6 19.4 10 19 A P > - 0 0 46 0, 0.0 3,-3.1 0, 0.0 4,-0.4 -0.487 16.4-133.2 -59.8 126.5 39.1 14.4 18.2 11 20 A E G > S+ 0 0 167 -2,-0.3 3,-0.7 1,-0.3 35,-0.1 0.701 104.1 64.8 -59.8 -18.1 41.9 13.7 20.7 12 21 A H G 3 S+ 0 0 144 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.598 96.7 58.9 -80.0 -11.5 44.3 13.0 17.8 13 22 A L G < S+ 0 0 14 -3,-3.1 33,-1.8 32,-0.1 -1,-0.2 0.589 80.8 114.8 -94.9 -2.0 43.8 16.7 16.7 14 23 A V B < +a 46 0A 35 -3,-0.7 2,-0.2 -4,-0.4 33,-0.2 -0.343 29.6 159.3 -74.9 134.4 45.1 18.0 20.1 15 24 A F - 0 0 56 31,-2.3 2,-2.1 -2,-0.2 30,-0.1 -0.803 34.3-140.1-152.4 108.1 48.4 19.9 20.0 16 25 A D + 0 0 59 -2,-0.2 2,-0.3 31,-0.2 31,-0.1 -0.297 34.1 166.0 -80.7 69.4 49.0 22.2 23.0 17 26 A F - 0 0 8 -2,-2.1 2,-0.7 32,-0.1 32,-0.4 -0.539 25.5-154.6 -80.2 133.3 50.5 25.3 21.4 18 27 A D > - 0 0 47 -2,-0.3 3,-1.5 1,-0.1 -2,-0.1 -0.861 3.7-167.5-109.9 92.3 50.7 28.4 23.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.658 91.9 48.9 -48.9 -26.6 50.7 31.4 21.1 20 29 A Y T 3 S+ 0 0 44 1,-0.2 364,-0.5 -3,-0.1 -1,-0.3 0.647 129.3 17.4 -91.2 -19.3 51.7 33.5 24.1 21 30 A N S < S- 0 0 102 -3,-1.5 -2,-0.2 362,-0.1 -1,-0.2 -0.364 76.8-179.5-152.0 66.4 54.5 31.2 25.3 22 31 A P > - 0 0 5 0, 0.0 3,-0.5 0, 0.0 11,-0.1 -0.144 32.5-112.1 -64.0 163.5 55.7 28.7 22.7 23 32 A S T 3 S+ 0 0 110 9,-0.3 2,-1.1 1,-0.2 3,-0.4 0.894 100.8 38.7 -72.9 -59.8 58.4 26.3 23.6 24 33 A N T > + 0 0 74 8,-0.3 3,-0.8 1,-0.2 -1,-0.2 -0.439 68.9 139.9 -98.5 59.9 61.7 26.8 21.8 25 34 A L G X + 0 0 30 -2,-1.1 3,-2.3 -3,-0.5 357,-0.3 0.790 63.9 67.3 -68.4 -28.0 61.4 30.5 22.0 26 35 A S G 3 S+ 0 0 125 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.772 94.9 59.3 -57.8 -31.5 65.1 30.7 22.8 27 36 A A G < S- 0 0 51 -3,-0.8 -1,-0.3 1,-0.3 4,-0.2 0.300 128.4 -81.2 -77.1 -4.0 65.5 29.4 19.2 28 37 A G <> - 0 0 9 -3,-2.3 4,-1.1 3,-0.1 -1,-0.3 -0.160 39.7 -95.8 108.4 151.9 63.7 32.5 17.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.898 119.6 48.1 -73.1 -50.2 60.0 33.2 17.4 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 114.5 49.3 -59.0 -44.1 59.3 32.1 13.8 31 40 A E H 4 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.846 107.2 55.1 -60.6 -40.7 61.2 28.9 14.6 32 41 A A H < S+ 0 0 0 -4,-1.1 3,-0.5 1,-0.2 -9,-0.3 0.813 111.4 44.4 -63.2 -41.4 59.2 28.4 17.8 33 42 A W H >< S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.762 99.3 71.1 -71.1 -37.5 55.9 28.6 15.8 34 43 A A G >< S+ 0 0 21 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.499 72.7 83.7 -61.1 -12.3 57.2 26.4 13.0 35 44 A V G > S+ 0 0 28 -3,-0.5 3,-2.2 -4,-0.3 -1,-0.3 0.874 82.1 69.0 -55.3 -33.3 57.0 23.3 15.3 36 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.666 95.9 51.4 -54.3 -26.8 53.4 23.5 14.0 37 46 A Q G < S+ 0 0 8 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.212 80.5 122.6-102.7 12.7 54.6 22.5 10.6 38 47 A E S X S- 0 0 106 -3,-2.2 3,-2.3 1,-0.1 -3,-0.0 -0.552 76.8-112.0 -70.1 150.7 56.5 19.5 11.7 39 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.628 115.2 63.8 -55.3 -28.4 55.3 16.2 10.0 40 49 A N T 3 S+ 0 0 116 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.367 90.4 89.4 -73.0 -5.9 53.9 14.9 13.3 41 50 A V S < S- 0 0 7 -3,-2.3 -28,-0.1 -6,-0.1 4,-0.1 -0.901 75.6-133.1-110.0 125.3 51.4 17.8 13.3 42 51 A P - 0 0 44 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.320 28.9-112.6 -64.9 151.9 48.0 17.6 11.6 43 52 A D S S+ 0 0 47 1,-0.1 14,-2.3 13,-0.1 15,-0.5 0.550 107.2 35.3 -59.9 -18.7 47.1 20.6 9.4 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.946 78.2 172.1-141.1 114.3 44.4 21.7 11.8 45 54 A V E - B 0 55A 0 10,-2.3 10,-2.4 -2,-0.4 2,-0.4 -0.851 27.4-134.6-125.3 167.6 44.9 21.2 15.5 46 55 A W E -aB 14 54A 11 -33,-1.8 -31,-2.3 -2,-0.3 2,-0.3 -0.991 18.8-159.8-118.4 132.5 43.1 22.2 18.7 47 56 A T E - B 0 53A 0 6,-3.0 6,-2.2 -2,-0.4 -31,-0.2 -0.848 14.8-148.7-114.6 143.7 45.2 23.6 21.5 48 57 A R > + 0 0 81 -2,-0.3 -45,-1.9 4,-0.2 3,-0.5 0.229 68.8 103.2 -92.2 4.7 43.8 23.5 25.1 49 58 A C G > S+ 0 0 9 -32,-0.4 3,-1.9 1,-0.2 -2,-0.2 -0.603 76.8 21.4 -89.2 155.9 45.8 26.7 25.9 50 59 A N G 3 S- 0 0 47 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.779 142.7 -49.5 57.9 34.4 44.3 30.1 26.2 51 60 A G G < S- 0 0 58 -3,-0.5 -1,-0.3 -50,-0.4 -2,-0.1 0.250 104.3 -66.8 90.6 -4.0 40.9 28.6 26.7 52 61 A G < + 0 0 9 -3,-1.9 256,-0.3 1,-0.1 2,-0.3 0.373 67.2 159.9 99.5 128.9 41.0 26.1 23.8 53 62 A H E -B 47 0A 1 -6,-2.2 -6,-3.0 254,-0.1 256,-0.2 -0.936 36.9-100.1-169.9 162.6 41.0 27.0 20.1 54 63 A W E -Bc 46 309A 0 254,-2.3 256,-3.6 -2,-0.3 2,-0.4 -0.464 26.6-164.1 -86.9 150.5 41.8 25.8 16.6 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-2.3 254,-0.2 2,-0.4 -0.964 10.3-147.6-137.3 126.2 45.0 26.7 14.7 56 65 A A E -B 44 0A 0 254,-1.7 -12,-0.2 -2,-0.4 259,-0.1 -0.764 12.3-170.3 -84.9 144.4 45.3 26.2 10.9 57 66 A T + 0 0 0 -14,-2.3 2,-0.4 -2,-0.4 -13,-0.1 0.546 53.6 75.0-117.4 -8.3 49.0 25.4 10.0 58 67 A R S >> S- 0 0 5 -15,-0.5 4,-2.6 1,-0.1 3,-0.5 -0.861 74.2-129.5-122.1 134.9 49.2 25.6 6.2 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.5 257,-0.3 5,-0.2 0.855 110.9 59.0 -44.5 -37.8 49.2 28.5 3.9 60 69 A Q H 3> S+ 0 0 106 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.907 110.5 38.1 -57.9 -49.7 46.4 26.7 2.0 61 70 A L H <> S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.782 114.2 55.6 -72.9 -39.7 44.1 26.6 5.0 62 71 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.939 111.1 43.7 -61.7 -48.5 45.0 30.0 6.3 63 72 A R H X S+ 0 0 52 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.842 114.1 50.7 -62.0 -42.6 44.2 31.7 3.0 64 73 A E H >X S+ 0 0 71 -4,-1.2 4,-1.6 -5,-0.2 3,-0.7 0.913 111.4 47.0 -61.3 -49.2 41.0 29.7 2.6 65 74 A A H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 7,-0.2 0.861 112.0 53.7 -60.8 -37.0 39.8 30.6 6.1 66 75 A Y H 3< S+ 0 0 9 -4,-2.3 279,-0.5 1,-0.2 280,-0.3 0.592 110.3 44.3 -68.4 -30.0 40.8 34.2 5.2 67 76 A E H << S+ 0 0 126 -4,-0.7 2,-1.3 -3,-0.7 -1,-0.2 0.663 99.5 76.6 -81.3 -38.7 38.7 34.3 2.1 68 77 A D >X + 0 0 35 -4,-1.6 4,-2.3 1,-0.2 3,-0.6 -0.619 47.4 156.5 -74.3 43.1 35.7 32.6 3.7 69 78 A Y T 34 + 0 0 76 -2,-1.3 -1,-0.2 2,-0.2 5,-0.1 0.714 66.1 71.6 -51.3 -17.6 34.1 35.4 5.8 70 79 A R T 34 S+ 0 0 166 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.923 116.8 19.0 -62.2 -47.6 30.7 33.6 5.8 71 80 A H T <4 S+ 0 0 40 -3,-0.6 222,-1.8 1,-0.2 2,-0.7 0.763 127.1 53.1 -89.0 -38.2 32.0 30.9 8.1 72 81 A F E < S-D 292 0A 0 -4,-2.3 2,-0.3 -7,-0.2 -1,-0.2 -0.874 76.9-169.4-111.3 96.3 35.1 32.7 9.6 73 82 A S E > -D 291 0A 6 218,-2.6 218,-2.0 -2,-0.7 3,-0.6 -0.576 28.0-141.3 -93.4 149.0 34.0 36.0 11.0 74 83 A S T 3 S+ 0 0 0 -2,-0.3 20,-0.1 1,-0.2 -1,-0.1 0.304 76.9 103.2 -84.7 7.4 36.2 38.9 12.3 75 84 A E T 3 S+ 0 0 122 1,-0.3 -1,-0.2 216,-0.1 18,-0.1 0.772 96.3 20.7 -60.8 -41.2 33.8 39.7 15.1 76 85 A C S < S+ 0 0 3 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.855 76.9 157.1-130.9 83.0 36.0 38.0 17.6 77 86 A P + 0 0 1 0, 0.0 212,-3.3 0, 0.0 2,-0.3 0.525 49.4 73.8 -92.2 -12.5 39.5 37.9 16.0 78 87 A F S S- 0 0 13 210,-0.2 6,-0.6 3,-0.1 210,-0.1 -0.798 76.3-114.7-106.0 151.6 41.7 37.7 19.1 79 88 A I S S+ 0 0 2 -2,-0.3 2,-0.1 4,-0.1 -28,-0.1 -0.914 91.1 61.2-118.9 128.3 42.4 34.8 21.4 80 89 A P S >> S- 0 0 38 0, 0.0 3,-2.3 0, 0.0 4,-1.5 0.567 86.9-130.5 -78.7 160.9 41.7 34.7 24.3 81 90 A R H 3> S+ 0 0 82 -31,-0.4 4,-2.3 1,-0.3 3,-0.2 0.868 105.5 62.4 -48.8 -46.4 38.0 34.9 23.8 82 91 A E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.743 108.5 46.0 -49.4 -33.4 37.6 37.7 26.4 83 92 A A H <> S+ 0 0 7 -3,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.803 111.2 47.5 -79.3 -44.3 39.8 39.8 24.1 84 93 A G H < S+ 0 0 0 -4,-1.5 -2,-0.2 -6,-0.6 -3,-0.2 0.749 114.7 51.9 -65.4 -27.8 38.1 39.0 20.8 85 94 A E H < S+ 0 0 136 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.967 112.2 41.1 -73.8 -48.4 35.0 39.8 22.7 86 95 A A H < S+ 0 0 20 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.746 94.0 108.5 -67.8 -28.1 36.1 43.1 24.0 87 96 A Y < + 0 0 13 -4,-1.6 -9,-0.1 1,-0.1 98,-0.0 -0.402 31.7 152.3 -61.4 126.2 37.7 43.7 20.5 88 97 A D + 0 0 39 -2,-0.4 -1,-0.1 -12,-0.1 2,-0.1 0.202 15.5 142.5-143.0 21.4 35.7 46.4 18.6 89 98 A F > - 0 0 1 145,-0.1 4,-3.6 3,-0.1 5,-0.3 -0.299 47.6-103.5 -65.6 146.3 38.1 48.1 16.2 90 99 A I T 4 S+ 0 0 0 141,-0.9 145,-0.3 1,-0.3 -2,-0.1 -0.870 95.7 11.2-115.1 138.4 36.8 49.1 12.8 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 -0.984 124.4 62.3 -83.2 0.1 37.2 48.0 10.1 92 101 A T T 34 S+ 0 0 27 1,-0.2 -2,-0.3 140,-0.1 -3,-0.1 0.840 99.4 48.6 -67.6 -30.1 38.7 44.9 11.7 93 102 A S T 3< S+ 0 0 19 -4,-3.6 2,-0.3 -18,-0.1 -1,-0.2 0.509 101.5 83.3 -91.7 11.0 35.8 43.5 13.7 94 103 A M < - 0 0 19 -3,-1.1 -6,-0.0 -5,-0.3 -5,-0.0 -0.788 66.1-145.0-108.7 153.1 33.4 43.8 10.8 95 104 A D >> - 0 0 34 -2,-0.3 4,-1.6 1,-0.1 3,-0.6 -0.578 43.0 -53.2-106.2 157.9 32.8 41.5 7.8 96 105 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.402 113.5 30.2 -67.7 150.6 31.9 42.5 4.3 97 106 A P T >4 S+ 0 0 112 0, 0.0 3,-0.7 0, 0.0 4,-0.3 -1.000 126.1 44.5 -86.8 -6.1 29.9 44.2 3.0 98 107 A E T X> S+ 0 0 126 -3,-0.6 3,-1.1 1,-0.2 4,-0.8 0.860 107.2 62.2 -64.6 -36.6 29.7 46.5 6.0 99 108 A Q H 3X S+ 0 0 6 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.832 89.2 74.6 -55.5 -35.7 33.5 46.6 6.4 100 109 A R H <> S+ 0 0 170 -3,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.658 91.0 49.1 -57.3 -34.9 33.8 48.2 2.9 101 110 A Q H <> S+ 0 0 59 -3,-1.1 4,-1.1 -4,-0.3 -1,-0.2 0.924 114.9 45.1 -75.1 -46.7 32.7 51.7 3.7 102 111 A F H X S+ 0 0 4 -4,-0.8 4,-2.0 2,-0.2 3,-0.4 0.876 110.8 52.4 -62.9 -45.0 35.0 52.0 6.7 103 112 A R H X S+ 0 0 63 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.906 104.4 59.4 -55.6 -41.5 38.0 50.5 4.9 104 113 A A H X S+ 0 0 54 -4,-1.0 4,-0.5 1,-0.3 -1,-0.2 0.874 110.1 40.9 -60.6 -36.8 37.5 53.0 2.2 105 114 A L H X S+ 0 0 2 -4,-1.1 4,-0.9 -3,-0.4 -1,-0.3 0.805 111.1 54.2 -75.4 -47.5 37.9 55.9 4.6 106 115 A A H >X S+ 0 0 2 -4,-2.0 4,-1.2 1,-0.2 3,-0.7 0.867 107.7 54.0 -58.6 -35.4 40.8 54.3 6.5 107 116 A N H 3X S+ 0 0 71 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.753 97.4 62.9 -65.5 -32.7 42.5 54.0 3.1 108 117 A Q H 3< S+ 0 0 120 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.808 112.3 39.4 -60.6 -38.7 41.9 57.7 2.6 109 118 A V H << S+ 0 0 5 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.609 130.1 20.6 -82.7 -39.1 44.2 58.1 5.6 110 119 A V H < S+ 0 0 13 -4,-1.2 243,-0.4 100,-0.0 -3,-0.2 0.458 94.5 109.1-108.4 -20.2 47.0 55.5 5.1 111 120 A G S >X S- 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 3,-0.8 0.176 84.9 -71.1 -57.3-174.8 47.0 54.5 1.4 112 121 A M H 3> S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 125.2 54.0 -43.4 -63.8 49.4 55.1 -1.4 113 122 A P H 3> S+ 0 0 101 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.803 108.9 50.4 -48.4 -39.4 48.9 58.9 -1.9 114 123 A V H <> S+ 0 0 30 -3,-0.8 4,-2.4 2,-0.2 3,-0.2 0.879 110.0 50.2 -65.6 -43.1 49.5 59.6 1.8 115 124 A V H X S+ 0 0 6 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.920 109.3 51.7 -63.3 -40.8 52.8 57.6 1.6 116 125 A D H < S+ 0 0 111 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.752 110.4 48.8 -64.5 -32.2 53.8 59.6 -1.5 117 126 A K H < S+ 0 0 150 -4,-1.0 3,-0.3 -5,-0.2 -2,-0.2 0.901 116.5 42.6 -77.1 -40.0 53.1 62.8 0.4 118 127 A L H >X S+ 0 0 8 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.364 82.6 100.0 -86.1 -5.1 55.1 61.6 3.5 119 128 A E H 3X S+ 0 0 58 -4,-0.9 4,-2.7 1,-0.3 3,-0.5 0.883 80.3 52.7 -53.4 -46.8 58.2 60.1 1.7 120 129 A N H 3> S+ 0 0 134 -3,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.771 111.7 45.9 -60.5 -38.9 60.5 63.0 2.2 121 130 A R H <> S+ 0 0 116 -3,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.625 111.2 52.9 -73.8 -32.2 59.8 63.1 5.9 122 131 A I H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.5 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-2,-0.2 0.718 116.6 41.4 -67.8 -25.1 73.0 60.7 15.0 133 142 A L H X< S+ 0 0 11 -3,-2.1 3,-1.9 -4,-0.6 5,-0.5 0.858 94.3 80.2 -87.5 -50.8 73.7 57.1 15.8 134 143 A R G >< S+ 0 0 39 -4,-2.5 3,-0.8 1,-0.3 -2,-0.1 0.658 89.3 51.1 -23.3 -56.2 76.6 56.4 13.5 135 144 A P G 3 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.662 97.5 69.3 -74.9 -10.7 79.5 57.9 15.5 136 145 A Q G < S- 0 0 113 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.697 87.1-143.6 -81.8 -21.6 78.6 56.1 18.8 137 146 A G S < S+ 0 0 11 -3,-0.8 260,-1.7 -4,-0.4 2,-0.2 0.756 74.1 49.3 64.1 24.3 79.6 52.7 17.5 138 147 A Q E +F 396 0B 124 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.814 56.5 161.6 176.9 135.9 76.7 51.1 19.5 139 148 A C E -F 395 0B 13 256,-1.5 256,-3.1 -2,-0.2 2,-0.7 -0.969 46.1-109.6-140.6-169.5 73.0 51.4 20.2 140 149 A N E > -F 394 0B 27 -2,-0.3 4,-3.9 254,-0.3 5,-0.4 -0.936 37.0-164.4-109.1 60.6 69.9 49.6 21.4 141 150 A F H >>S+ 0 0 0 252,-2.3 5,-3.1 -2,-0.7 4,-1.6 0.830 83.4 54.6 -37.8 -37.7 68.3 49.4 17.9 142 151 A T H 4>S+ 0 0 8 3,-0.2 5,-1.4 1,-0.2 -1,-0.2 0.990 123.6 25.1 -63.8 -56.0 64.9 48.6 19.4 143 152 A E H 45S+ 0 0 116 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.739 126.0 49.9 -72.6 -35.1 64.8 51.7 21.6 144 153 A D H <5S- 0 0 64 -4,-3.9 -3,-0.2 3,-0.1 -1,-0.2 0.597 134.2 -10.8 -80.7 -24.4 67.2 53.8 19.5 145 154 A Y T X5S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.4 -3,-0.2 0.607 120.6 63.7-138.7 -59.6 65.7 53.4 16.1 146 155 A A T 4 S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.785 110.2 58.7 -57.2 -46.2 61.2 56.3 17.2 149 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -3,-0.1 0.981 117.0 27.3 -53.1 -66.4 61.4 55.9 13.4 150 159 A P H > S+ 0 0 1 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.870 122.8 52.5 -67.1 -40.3 58.0 54.4 12.7 151 160 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.842 107.7 48.4 -64.5 -46.7 56.3 55.9 15.8 152 161 A R H X S+ 0 0 87 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.775 110.3 51.3 -66.5 -37.1 57.2 59.5 15.1 153 162 A I H X S+ 0 0 2 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.746 113.1 47.9 -64.1 -37.5 56.2 59.4 11.5 154 163 A F H X S+ 0 0 8 -4,-1.1 4,-2.8 2,-0.2 3,-0.3 0.935 109.2 50.7 -66.7 -52.6 52.9 58.0 12.8 155 164 A M H X>S+ 0 0 2 -4,-3.1 5,-2.1 1,-0.3 4,-2.1 0.852 110.9 51.6 -57.8 -30.0 52.5 60.7 15.4 156 165 A L H <5S+ 0 0 79 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.889 112.0 44.9 -71.3 -48.8 53.2 63.3 12.7 157 166 A L H <5S+ 0 0 17 -4,-1.2 53,-2.1 -3,-0.3 -2,-0.2 0.882 117.1 44.7 -59.4 -47.6 50.5 61.8 10.5 158 167 A A H <5S- 0 0 0 -4,-2.8 53,-0.8 51,-0.2 54,-0.2 0.721 106.9-124.3 -75.5 -32.1 48.0 61.5 13.3 159 168 A G T <5 + 0 0 36 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.750 60.6 143.0 89.2 31.7 48.7 65.0 14.7 160 169 A L < - 0 0 10 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.782 56.7 -94.8-107.9 151.8 49.5 63.7 18.2 161 170 A P > - 0 0 68 0, 0.0 3,-3.0 0, 0.0 4,-0.4 -0.341 18.9-140.2 -64.6 130.4 52.1 64.9 20.7 162 171 A E G > S+ 0 0 106 1,-0.3 3,-1.1 2,-0.2 -7,-0.0 0.761 103.7 71.4 -58.9 -21.4 55.4 63.0 20.7 163 172 A E G 3 S+ 0 0 183 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.653 89.1 61.4 -68.4 -17.8 55.1 63.4 24.4 164 173 A D G X> S+ 0 0 44 -3,-3.0 4,-2.1 1,-0.2 3,-1.2 0.673 76.4 96.6 -86.4 -16.1 52.3 60.8 24.3 165 174 A I H <> S+ 0 0 31 -3,-1.1 4,-2.4 -4,-0.4 5,-0.3 0.779 79.2 49.0 -42.5 -60.3 54.5 58.0 22.9 166 175 A P H 3> S+ 0 0 98 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.766 113.2 47.7 -57.7 -34.6 55.3 56.1 26.0 167 176 A H H <> S+ 0 0 94 -3,-1.2 4,-1.8 -4,-0.2 -2,-0.2 0.962 116.7 41.4 -71.8 -54.0 51.8 55.9 27.3 168 177 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.741 112.3 55.1 -63.2 -36.1 50.3 54.8 24.0 169 178 A K H X S+ 0 0 13 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.918 107.3 50.7 -66.2 -41.3 53.1 52.4 23.3 170 179 A Y H X S+ 0 0 98 -4,-1.3 4,-1.3 -5,-0.3 -2,-0.2 0.902 112.7 45.2 -61.7 -47.4 52.4 50.7 26.7 171 180 A L H X S+ 0 0 4 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.834 112.5 51.6 -66.5 -37.8 48.7 50.4 25.9 172 181 A T H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.8 0.918 108.9 51.5 -63.6 -44.1 49.5 49.1 22.4 173 182 A D H 3X S+ 0 0 45 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.722 102.3 59.4 -63.7 -38.1 51.9 46.5 23.8 174 183 A Q H 3< S+ 0 0 7 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.764 104.8 51.5 -61.1 -32.8 49.3 45.2 26.3 175 184 A M H << S+ 0 0 3 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.889 121.3 27.3 -74.0 -46.3 46.9 44.3 23.5 176 185 A T H < S+ 0 0 3 -4,-1.3 210,-2.2 1,-0.2 211,-0.3 0.832 135.9 25.2 -86.1 -39.4 49.3 42.3 21.3 177 186 A R S < S- 0 0 24 -4,-2.1 -1,-0.2 208,-0.2 -2,-0.2 -0.499 85.6-153.4-131.1 66.8 51.8 40.9 23.9 178 187 A P - 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.031 13.3-167.1 -48.7 128.7 49.8 40.9 27.2 179 188 A D - 0 0 109 3,-0.2 4,-0.1 4,-0.0 -5,-0.1 0.833 43.6-114.4 -80.5 -43.7 52.0 41.2 30.3 180 189 A G S S+ 0 0 71 2,-0.5 3,-0.1 -6,-0.1 -6,-0.0 0.200 96.4 105.5 109.9 -1.5 49.2 40.2 32.7 181 190 A S S S+ 0 0 65 1,-0.3 2,-0.3 2,-0.0 -7,-0.0 0.797 90.3 13.9 -76.2 -32.4 49.4 43.8 34.1 182 191 A M S S- 0 0 42 -8,-0.1 -2,-0.5 -11,-0.0 -1,-0.3 -0.996 75.7-124.0-150.3 140.5 46.2 44.6 32.3 183 192 A T > - 0 0 88 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.260 36.6-106.9 -71.8 164.0 43.4 42.8 30.6 184 193 A F H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.902 119.0 51.4 -61.3 -45.7 42.5 43.6 26.9 185 194 A A H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 109.1 49.9 -61.2 -43.1 39.3 45.4 27.9 186 195 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 113.5 46.8 -60.5 -46.5 41.1 47.6 30.5 187 196 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.865 110.1 51.8 -64.0 -44.5 43.8 48.5 27.9 188 197 A K H X S+ 0 0 17 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.824 110.0 51.8 -63.4 -37.4 41.2 49.3 25.2 189 198 A E H >X S+ 0 0 92 -4,-1.8 4,-2.9 2,-0.2 3,-0.9 0.980 106.6 50.6 -62.1 -54.3 39.4 51.5 27.6 190 199 A A H 3X S+ 0 0 27 -4,-2.3 4,-1.0 1,-0.3 -2,-0.2 0.771 111.5 48.9 -55.3 -38.5 42.5 53.6 28.5 191 200 A L H 3X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.778 110.7 51.8 -69.7 -36.3 43.3 54.1 24.8 192 201 A Y H S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.893 115.6 52.2 -49.5 -44.9 38.5 64.3 23.9 198 207 A I H X S+ 0 0 20 -4,-0.8 4,-0.9 2,-0.2 -2,-0.2 0.881 110.9 45.9 -61.5 -46.1 40.8 64.4 20.9 199 208 A I H >X S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 4,-1.0 0.966 109.1 57.4 -59.3 -51.7 38.1 63.2 18.5 200 209 A E H 3X S+ 0 0 113 -4,-3.1 4,-1.2 1,-0.3 3,-0.4 0.792 109.1 44.1 -40.3 -51.6 35.7 65.7 20.2 201 210 A Q H 3X S+ 0 0 103 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.609 109.2 55.9 -71.9 -30.5 38.0 68.6 19.3 202 211 A R H << S+ 0 0 34 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.539 103.2 55.4 -86.5 -12.2 38.7 67.5 15.8 203 212 A R H < S+ 0 0 89 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.902 117.1 36.1 -81.6 -46.9 34.9 67.4 15.0 204 213 A Q H < S+ 0 0 150 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.927 135.1 23.1 -65.4 -59.5 34.6 71.0 16.0 205 214 A K S < S- 0 0 166 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.695 83.4-166.1-120.1 80.1 38.0 72.2 14.7 206 215 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.284 7.9-179.9 -63.1 149.3 39.1 69.9 12.0 207 216 A G - 0 0 41 2,-0.2 -48,-0.0 -5,-0.1 -5,-0.0 -0.313 44.9 -88.9-124.2-153.1 42.7 69.9 10.7 208 217 A T S S+ 0 0 138 -2,-0.2 -49,-0.1 4,-0.0 5,-0.0 0.420 84.7 114.0-111.5 -1.8 44.5 68.0 8.1 209 218 A D S > S- 0 0 24 -51,-0.1 4,-1.7 1,-0.1 -51,-0.2 -0.147 80.8-108.9 -69.5 160.6 45.6 65.1 10.3 210 219 A A H > S+ 0 0 8 -53,-2.1 4,-1.6 1,-0.2 3,-0.3 0.911 119.0 54.9 -58.8 -41.3 44.4 61.5 10.0 211 220 A I H > S+ 0 0 2 -53,-0.8 4,-2.6 1,-0.3 3,-0.4 0.916 108.2 47.2 -60.2 -47.2 42.4 61.9 13.2 212 221 A S H > S+ 0 0 2 1,-0.2 4,-0.7 -54,-0.2 -1,-0.3 0.724 111.8 51.6 -60.8 -41.5 40.5 64.9 11.9 213 222 A I H < S+ 0 0 65 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.662 112.0 44.8 -68.6 -37.4 39.9 63.2 8.6 214 223 A V H >< S+ 0 0 0 -4,-1.6 3,-2.3 -3,-0.4 -2,-0.2 0.951 111.1 54.0 -71.9 -50.0 38.4 60.1 10.2 215 224 A A H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.657 116.7 37.8 -53.9 -30.6 36.3 62.1 12.7 216 225 A N T 3< S+ 0 0 73 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.093 94.0 118.2-112.9 18.9 34.7 64.1 9.9 217 226 A G < - 0 0 9 -3,-2.3 7,-2.9 6,-0.1 2,-0.4 -0.356 58.2-120.4 -91.5 171.3 34.3 61.4 7.2 218 227 A Q E -H 223 0C 113 5,-0.3 2,-0.4 -2,-0.1 3,-0.1 -0.872 20.0-170.8-111.2 139.4 31.3 59.9 5.4 219 228 A V E > S-H 222 0C 0 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