==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUN-06 2H7S . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.VERRAS,A.ALIAN,P.R.MONTELLANO . 810 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 8.0 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 . 4 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 . 34 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 3 1 5 2 1 2 1 3 2 4 0 1 0 2 2 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 6 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 5 2 0 0 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 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 50,-0.5 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 58.1 3.8 15.5 31.0 2 11 A L - 0 0 76 47,-0.1 47,-0.3 48,-0.1 3,-0.0 -0.327 360.0-129.7 -53.8 124.6 2.5 12.4 32.7 3 12 A A - 0 0 27 45,-4.0 2,-0.1 -2,-0.1 49,-0.1 -0.607 35.3-101.2 -73.9 149.3 -1.2 12.0 32.1 4 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.331 51.0 -83.6 -61.9 158.9 -3.1 11.3 35.5 5 14 A L - 0 0 58 1,-0.1 4,-0.1 -2,-0.1 47,-0.0 -0.390 37.9-120.9 -78.0 106.0 -4.0 7.7 36.2 6 15 A P > - 0 0 33 0, 0.0 3,-3.7 0, 0.0 608,-0.1 -0.135 29.9-117.6 -44.5 123.4 -7.2 6.3 34.7 7 16 A P T 3 S+ 0 0 40 0, 0.0 607,-2.1 0, 0.0 608,-0.2 0.802 113.1 59.1 -25.8 -44.1 -9.4 5.1 37.7 8 17 A H T 3 S+ 0 0 22 605,-0.3 294,-0.2 604,-0.2 605,-0.1 0.526 84.7 89.7 -79.9 -0.7 -9.1 1.5 36.2 9 18 A V S < S- 0 0 2 -3,-3.7 605,-0.1 -4,-0.1 5,-0.1 -0.830 78.0-124.8 -91.4 115.8 -5.2 1.2 36.2 10 19 A P > - 0 0 21 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.122 16.5-127.9 -65.9 147.5 -3.6 -0.3 39.4 11 20 A E G > S+ 0 0 25 1,-0.2 3,-0.6 551,-0.2 552,-0.1 0.773 107.3 58.7 -64.6 -10.0 -1.0 1.9 40.9 12 21 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.2 550,-0.1 -3,-0.0 0.720 95.7 57.3-102.0 -17.2 1.3 -1.0 40.9 13 22 A L G < S+ 0 0 10 -3,-0.8 33,-2.8 28,-0.1 2,-0.6 0.320 83.6 117.3 -83.7 5.9 1.2 -1.8 37.1 14 23 A V B < +a 46 0A 24 -3,-0.6 2,-0.4 -4,-0.5 33,-0.2 -0.676 31.9 164.5 -81.4 118.7 2.4 1.7 36.5 15 24 A F - 0 0 53 31,-2.3 2,-1.8 -2,-0.6 30,-0.1 -0.964 29.8-144.5-128.6 109.8 5.8 2.2 34.8 16 25 A D + 0 0 55 -2,-0.4 2,-0.2 31,-0.2 31,-0.1 -0.180 34.3 163.7 -70.5 46.9 6.5 5.8 33.3 17 26 A F - 0 0 9 -2,-1.8 2,-0.6 32,-0.1 32,-0.3 -0.475 28.8-148.4 -66.7 128.9 8.5 4.8 30.2 18 27 A D - 0 0 46 -2,-0.2 -2,-0.0 3,-0.2 32,-0.0 -0.956 8.5-167.4-110.8 110.1 8.8 7.6 27.6 19 28 A M S S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 14,-0.0 0.622 89.0 46.6 -74.4 -32.9 9.0 6.1 24.1 20 29 A Y S S+ 0 0 41 1,-0.1 364,-0.6 366,-0.1 -1,-0.2 0.511 135.7 11.7 -75.0 -15.8 10.1 9.3 22.3 21 30 A N S S- 0 0 96 362,-0.1 2,-0.2 364,-0.0 -3,-0.2 -0.423 78.9-169.6-156.0 71.2 12.7 10.0 25.1 22 31 A P > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 -3,-0.1 -0.467 31.8-113.7 -85.1 155.1 13.4 7.2 27.4 23 32 A S T 3 S+ 0 0 116 1,-0.3 3,-0.4 -2,-0.2 9,-0.1 0.721 111.6 44.8 -42.1 -44.0 15.5 7.7 30.5 24 33 A N T > + 0 0 85 1,-0.2 3,-1.4 8,-0.1 4,-0.5 0.053 67.7 134.5 -98.5 26.2 18.5 5.5 29.5 25 34 A L G X + 0 0 24 -3,-2.2 3,-1.3 1,-0.2 357,-0.3 0.751 67.3 61.1 -43.0 -27.6 18.8 6.8 25.9 26 35 A S G 3 S+ 0 0 132 -3,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.713 89.6 67.3 -84.6 -34.7 22.8 7.2 26.3 27 36 A A G < S- 0 0 64 -3,-1.4 -1,-0.3 1,-0.3 2,-0.2 0.768 127.6 -95.1 -46.6 -13.9 23.1 3.5 27.0 28 37 A G <> - 0 0 11 -3,-1.3 4,-1.1 -4,-0.5 -1,-0.3 -0.793 40.9 -80.1 112.5 169.8 22.0 3.3 23.3 29 38 A V H > S+ 0 0 0 -2,-0.2 4,-1.9 2,-0.2 5,-0.3 0.946 128.2 43.9 -92.5 -50.6 18.4 2.8 22.0 30 39 A Q H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.894 114.8 57.0 -48.4 -33.9 17.8 -1.0 22.2 31 40 A E H > S+ 0 0 56 2,-0.2 4,-0.7 -4,-0.2 -1,-0.2 0.963 104.5 49.8 -54.2 -47.9 19.5 -0.6 25.8 32 41 A A H >< S+ 0 0 0 -4,-1.1 3,-0.8 1,-0.2 -2,-0.2 0.911 114.1 43.6 -57.5 -44.1 17.0 2.0 27.0 33 42 A W H >< S+ 0 0 0 -4,-1.9 3,-3.1 1,-0.2 -1,-0.2 0.934 98.8 70.4 -71.6 -41.3 14.0 -0.1 26.0 34 43 A A H >< S+ 0 0 24 -4,-2.2 3,-2.9 1,-0.3 4,-0.3 0.729 80.7 80.4 -46.0 -20.2 15.4 -3.3 27.4 35 44 A V T << S+ 0 0 32 -3,-0.8 3,-0.4 -4,-0.7 -1,-0.3 0.617 82.2 65.4 -63.7 -16.3 14.8 -1.6 30.9 36 45 A L T < S+ 0 0 0 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.443 97.4 51.5 -72.6 -16.5 11.3 -2.7 30.4 37 46 A Q S < S+ 0 0 4 -3,-2.9 -2,-0.2 -4,-0.1 -1,-0.2 0.410 82.5 121.7-104.4 1.2 12.4 -6.3 30.5 38 47 A E S > S- 0 0 117 -3,-0.4 3,-1.3 -4,-0.3 -3,-0.0 -0.058 80.7-105.3 -51.9 163.5 14.3 -5.9 33.9 39 48 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.743 117.6 62.3 -73.5 -21.4 13.1 -8.1 36.7 40 49 A N T 3 S+ 0 0 100 2,-0.1 -1,-0.3 490,-0.0 -2,-0.1 0.384 87.7 90.7 -85.3 16.7 11.3 -5.2 38.5 41 50 A V S < S- 0 0 9 -3,-1.3 -28,-0.1 -4,-0.1 4,-0.0 -0.892 77.3-127.7-118.6 115.5 9.0 -4.7 35.6 42 51 A P - 0 0 46 0, 0.0 3,-0.2 0, 0.0 15,-0.1 -0.294 32.3-108.8 -55.8 148.4 5.6 -6.4 35.3 43 52 A D S S+ 0 0 60 1,-0.2 14,-2.7 13,-0.1 15,-0.4 0.738 109.8 28.0 -35.6 -26.9 5.1 -8.2 32.1 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.941 77.6 167.9-161.6 106.1 2.5 -5.5 31.3 45 54 A V E - B 0 55A 0 10,-1.4 10,-1.3 -2,-0.4 2,-0.5 -0.776 28.5-124.9-113.0 166.6 2.6 -2.0 32.6 46 55 A W E -aB 14 54A 12 -33,-2.8 -31,-2.3 -2,-0.3 2,-0.4 -0.956 15.4-163.0-109.9 131.6 1.1 1.3 32.0 47 56 A T E - B 0 53A 0 6,-1.7 6,-2.1 -2,-0.5 -31,-0.2 -0.905 13.2-157.1 -95.8 139.0 3.0 4.6 31.4 48 57 A R > + 0 0 91 -2,-0.4 -45,-4.0 4,-0.3 3,-0.7 0.267 64.1 113.1 -91.4 4.0 1.3 7.9 31.8 49 58 A C G > S+ 0 0 10 -32,-0.3 3,-1.3 -47,-0.3 -2,-0.1 -0.609 80.1 11.3 -76.2 154.8 3.9 9.3 29.5 50 59 A N G 3 S- 0 0 47 1,-0.2 31,-0.4 -2,-0.2 -1,-0.2 0.865 147.8 -38.1 45.5 37.7 2.5 10.6 25.9 51 60 A G G < S- 0 0 53 -3,-0.7 -1,-0.2 -50,-0.5 -2,-0.1 0.304 101.8 -78.3 108.9 -10.4 -1.1 10.3 27.1 52 61 A G < + 0 0 4 -3,-1.3 -4,-0.3 1,-0.1 2,-0.2 0.338 66.5 159.8 98.5 134.1 -1.0 7.2 29.2 53 62 A H E -B 47 0A 1 -6,-2.1 -6,-1.7 254,-0.1 256,-0.2 -0.923 38.3 -93.9-173.2 166.2 -1.0 3.8 27.4 54 63 A W E -Bc 46 309A 1 254,-2.9 256,-1.6 -2,-0.2 2,-0.2 -0.471 28.5-165.8 -91.1 163.3 -0.1 0.1 28.0 55 64 A I E -Bc 45 310A 0 -10,-1.3 -10,-1.4 254,-0.2 2,-0.4 -0.932 10.9-149.0-143.6 120.5 3.2 -1.5 27.0 56 65 A A E -B 44 0A 0 254,-1.8 -12,-0.2 -2,-0.2 259,-0.1 -0.823 10.1-169.1 -93.2 138.2 3.7 -5.3 26.8 57 66 A T + 0 0 0 -14,-2.7 2,-0.4 -2,-0.4 -13,-0.1 0.368 55.5 70.2-108.9 1.8 7.2 -5.9 27.7 58 67 A R S >> S- 0 0 8 -15,-0.4 4,-1.8 1,-0.1 3,-1.6 -0.981 75.3-122.7-137.5 136.4 7.6 -9.7 26.7 59 68 A G H 3> S+ 0 0 0 257,-0.4 4,-2.5 -2,-0.4 5,-0.4 0.826 107.7 55.1 -40.0 -44.1 7.7 -11.7 23.4 60 69 A Q H 3> S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.888 112.6 40.4 -67.4 -30.2 4.8 -14.0 24.2 61 70 A L H <> S+ 0 0 2 -3,-1.6 4,-2.2 2,-0.2 5,-0.2 0.849 113.6 53.1 -87.6 -41.0 2.2 -11.1 24.9 62 71 A I H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.884 116.4 42.1 -48.8 -46.1 3.5 -8.9 22.0 63 72 A R H X S+ 0 0 46 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.892 114.1 50.5 -72.6 -47.9 2.9 -12.0 19.8 64 73 A E H X S+ 0 0 68 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.2 0.879 113.7 42.4 -55.3 -50.0 -0.2 -12.9 21.3 65 74 A A H < S+ 0 0 1 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.696 111.9 57.5 -73.1 -23.5 -1.8 -9.4 21.0 66 75 A Y H < S+ 0 0 5 -4,-1.5 279,-0.4 -5,-0.2 -2,-0.2 0.897 108.1 47.4 -72.0 -34.1 -0.3 -9.2 17.6 67 76 A E H < S+ 0 0 128 -4,-2.3 2,-1.2 1,-0.2 -2,-0.2 0.776 101.7 66.5 -61.9 -43.5 -2.3 -12.4 16.9 68 77 A D >X + 0 0 35 -4,-1.4 4,-2.7 1,-0.2 3,-1.1 -0.585 51.6 159.8 -88.1 67.1 -5.6 -11.2 18.3 69 78 A Y T 34 + 0 0 70 -2,-1.2 -1,-0.2 1,-0.2 224,-0.1 0.878 69.8 66.7 -61.4 -28.5 -6.8 -8.3 15.9 70 79 A R T 34 S+ 0 0 157 1,-0.3 -1,-0.2 3,-0.1 223,-0.2 0.702 116.0 28.6 -68.8 -21.3 -10.5 -8.6 17.1 71 80 A H T <4 S+ 0 0 43 -3,-1.1 222,-2.0 1,-0.3 2,-0.6 0.728 129.4 39.4-102.8 -26.5 -9.4 -7.5 20.4 72 81 A F E < S-D 292 0A 1 -4,-2.7 -1,-0.3 220,-0.2 2,-0.2 -0.939 77.8-170.4-124.7 104.9 -6.4 -5.4 19.4 73 82 A S E -D 291 0A 3 218,-2.1 218,-1.5 -2,-0.6 3,-0.3 -0.656 29.6-138.8-110.3 151.2 -7.2 -3.5 16.3 74 83 A S S S+ 0 0 1 -2,-0.2 -1,-0.1 216,-0.2 216,-0.1 -0.001 71.0 117.4 -90.6 35.5 -4.7 -1.4 14.3 75 84 A E S S+ 0 0 133 1,-0.3 -1,-0.1 216,-0.2 215,-0.0 0.954 95.7 12.7 -50.2 -44.5 -7.5 1.3 13.9 76 85 A C S S+ 0 0 3 -3,-0.3 -1,-0.3 1,-0.1 8,-0.2 -0.784 78.3 162.0-127.1 83.7 -5.1 3.8 15.8 77 86 A P + 0 0 1 0, 0.0 212,-4.4 0, 0.0 2,-0.5 0.507 46.2 93.1 -89.7 -2.5 -1.8 2.0 15.9 78 87 A F S S- 0 0 15 210,-0.2 6,-0.9 3,-0.2 7,-0.2 -0.841 72.3-116.2 -92.6 127.4 0.3 5.2 16.8 79 88 A I S S+ 0 0 1 -2,-0.5 2,-0.2 4,-0.1 307,-0.1 -0.829 92.3 51.5 -85.4 130.1 1.4 6.6 20.0 80 89 A P S >> S- 0 0 37 0, 0.0 4,-2.1 0, 0.0 3,-1.0 0.458 89.4-123.7 -79.5 161.2 0.4 9.4 20.9 81 90 A R H 3> S+ 0 0 90 -31,-0.4 4,-2.1 1,-0.2 5,-0.3 0.781 110.9 54.5 -11.5 -74.1 -3.5 9.1 20.6 82 91 A E H 3> S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.782 110.2 49.0 -43.8 -45.6 -3.7 12.2 18.2 83 92 A A H <> S+ 0 0 7 -3,-1.0 4,-5.5 3,-0.2 -1,-0.2 0.958 113.5 44.0 -67.4 -43.5 -1.2 10.5 16.0 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.9 -1,-0.2 0.921 114.6 46.6 -71.8 -33.8 -3.0 7.1 15.9 85 94 A E H < S+ 0 0 137 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.859 120.3 46.2 -79.6 -33.6 -6.6 8.5 15.3 86 95 A A H < S+ 0 0 19 -4,-2.0 -2,-0.3 -5,-0.3 -1,-0.2 0.954 90.3 90.3 -60.9 -57.1 -4.7 10.5 12.8 87 96 A Y < + 0 0 19 -4,-5.5 -9,-0.0 1,-0.1 98,-0.0 0.042 45.0 158.4 -33.2 114.6 -2.7 7.8 11.3 88 97 A D + 0 0 36 -12,-0.1 -1,-0.1 2,-0.1 5,-0.1 0.419 15.0 143.7-125.2 16.1 -4.9 6.3 8.3 89 98 A F > - 0 0 3 145,-0.1 4,-1.3 3,-0.1 143,-0.2 -0.099 48.6-100.3 -60.5 175.8 -2.5 4.6 6.1 90 99 A I T 4 S+ 0 0 0 141,-1.7 145,-0.3 1,-0.2 144,-0.1 -0.995 96.1 8.9-141.3 131.4 -3.6 1.4 4.3 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.968 125.8 61.7 -79.3 -16.3 -3.2 -1.6 4.9 92 101 A T T 34 S+ 0 0 35 1,-0.3 -2,-0.2 11,-0.0 -3,-0.1 0.668 103.9 44.0 -51.9 -21.2 -1.5 -0.6 8.3 93 102 A S T 3< S+ 0 0 22 -4,-1.3 2,-0.3 -5,-0.1 -1,-0.3 0.134 103.4 92.0-112.1 10.8 -4.4 1.1 10.1 94 103 A M < - 0 0 12 -3,-1.4 -19,-0.0 5,-0.1 -5,-0.0 -0.921 62.5-142.8 -98.9 166.9 -6.9 -1.8 8.9 95 104 A D >> - 0 0 38 -2,-0.3 4,-1.3 1,-0.1 3,-1.2 -0.665 44.5 -56.4-114.9 145.5 -7.9 -5.1 10.6 96 105 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.417 116.9 25.7 -51.2 147.2 -8.5 -8.3 9.0 97 106 A P T >> S+ 0 0 102 0, 0.0 4,-0.5 0, 0.0 3,-0.5 -0.918 121.7 51.6-100.9 15.7 -10.5 -8.9 6.7 98 107 A E H <> S+ 0 0 103 -3,-1.2 4,-0.6 1,-0.2 3,-0.4 0.851 105.9 59.0 -66.2 -30.6 -10.5 -5.4 5.2 99 108 A Q H >X S+ 0 0 4 -4,-1.3 4,-1.9 1,-0.2 3,-0.9 0.782 85.6 75.7 -74.4 -19.4 -6.9 -5.3 5.1 100 109 A R H <> S+ 0 0 159 -3,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.854 91.1 51.1 -81.3 -45.0 -6.4 -8.2 2.9 101 110 A Q H 3< S+ 0 0 62 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.668 118.8 39.3 -30.3 -37.9 -7.4 -6.6 -0.6 102 111 A F H > S+ 0 0 6 -3,-0.4 3,-1.1 2,-0.2 4,-0.6 0.920 108.2 49.6 -86.4 -42.8 -1.8 -4.7 -3.6 106 115 A A H 3X S+ 0 0 2 -4,-3.0 4,-0.9 1,-0.3 3,-0.4 0.801 108.0 59.6 -61.0 -25.6 0.9 -3.1 -1.5 107 116 A N H 3X S+ 0 0 63 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.3 0.788 97.4 59.6 -71.9 -25.6 2.5 -6.5 -2.0 108 117 A Q H <4 S+ 0 0 115 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.851 106.9 45.0 -67.8 -20.6 2.5 -6.0 -5.8 109 118 A V H < S+ 0 0 1 -4,-0.6 101,-0.2 -3,-0.4 -1,-0.2 0.617 134.6 11.7-104.7 -12.9 4.6 -3.0 -5.8 110 119 A V H < S+ 0 0 13 -4,-0.9 243,-0.2 -5,-0.1 -2,-0.2 0.366 94.1 112.6-141.7 -2.6 7.2 -4.2 -3.3 111 120 A G S >X S- 0 0 0 -4,-2.5 3,-1.3 -5,-0.1 4,-0.6 -0.063 87.4 -66.1 -87.1-168.9 6.8 -7.9 -2.7 112 121 A M H >> S+ 0 0 111 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.682 126.5 56.5 -51.9 -51.8 9.3 -10.5 -3.7 113 122 A P H >> S+ 0 0 89 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.839 103.0 55.2 -47.3 -43.0 9.1 -10.2 -7.5 114 123 A V H <> S+ 0 0 11 -3,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.789 104.0 55.4 -54.3 -29.9 9.9 -6.6 -7.5 115 124 A V H << S+ 0 0 7 -3,-1.9 -1,-0.2 -4,-0.6 7,-0.2 0.794 106.8 49.2 -85.2 -21.4 13.2 -7.2 -5.5 116 125 A D H X< S+ 0 0 93 -4,-0.7 3,-2.4 -3,-0.6 4,-0.2 0.965 111.9 48.7 -85.2 -62.1 14.5 -9.7 -8.1 117 126 A K H 3< S+ 0 0 155 -4,-2.0 3,-0.5 1,-0.3 4,-0.3 0.768 112.4 47.7 -35.2 -52.8 13.9 -7.4 -10.9 118 127 A L T 3X S+ 0 0 23 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.405 85.0 110.4 -73.8 2.6 15.5 -4.6 -9.0 119 128 A E H <> S+ 0 0 93 -3,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.800 78.4 37.7 -50.3 -50.5 18.4 -6.9 -8.3 120 129 A N H > S+ 0 0 126 -3,-0.5 4,-3.0 -4,-0.2 -1,-0.2 0.874 113.6 56.6 -79.9 -25.1 21.1 -5.4 -10.3 121 130 A R H > S+ 0 0 136 -4,-0.3 4,-0.9 -3,-0.2 -2,-0.2 0.811 112.2 45.0 -67.4 -36.6 19.9 -1.7 -9.6 122 131 A I H X S+ 0 0 1 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.786 113.4 49.6 -72.4 -42.4 20.4 -2.6 -6.0 123 132 A Q H X S+ 0 0 62 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.951 112.2 48.4 -60.5 -50.9 23.8 -4.3 -6.6 124 133 A E H X S+ 0 0 71 -4,-3.0 4,-1.6 1,-0.3 -2,-0.2 0.700 110.8 47.3 -76.0 -22.7 25.2 -1.3 -8.6 125 134 A L H X S+ 0 0 31 -4,-0.9 4,-2.8 3,-0.2 -1,-0.3 0.861 110.5 52.2 -72.5 -45.2 24.2 1.5 -6.2 126 135 A A H X S+ 0 0 0 -4,-1.2 4,-1.1 -3,-0.3 -2,-0.2 0.924 120.1 35.7 -58.0 -50.0 25.6 -0.3 -3.1 127 136 A C H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 3,-0.4 0.951 116.0 52.1 -77.0 -49.0 29.0 -0.8 -5.0 128 137 A S H >X S+ 0 0 69 -4,-1.6 4,-1.8 -5,-0.3 3,-0.7 0.938 113.8 48.4 -36.7 -77.1 29.0 2.5 -6.9 129 138 A L H 3X S+ 0 0 12 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.667 112.0 43.9 -26.0 -48.1 28.4 4.2 -3.4 130 139 A I H 3X S+ 0 0 0 -4,-1.1 4,-3.5 -3,-0.4 3,-0.5 0.916 112.2 55.2 -79.6 -31.8 31.1 2.4 -1.4 131 140 A E H << S+ 0 0 55 -4,-2.1 -2,-0.2 -3,-0.7 -3,-0.1 0.860 106.8 48.5 -65.5 -47.7 33.6 2.9 -4.2 132 141 A S H < S+ 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.665 121.5 41.3 -53.6 -30.4 33.1 6.8 -4.3 133 142 A L H >< S+ 0 0 13 -4,-0.6 3,-2.5 -3,-0.5 5,-0.4 0.861 95.8 72.8 -78.2 -66.9 33.5 6.5 -0.6 134 143 A R G >< S+ 0 0 47 -4,-3.5 3,-0.7 1,-0.3 -2,-0.1 0.811 89.5 60.6 -47.1 -41.0 36.4 4.1 0.0 135 144 A P G 3 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.766 95.0 66.2 -59.9 -7.8 39.3 6.4 -1.1 136 145 A Q G < S- 0 0 106 -3,-2.5 -2,-0.2 2,-0.2 3,-0.1 0.612 88.1-135.2 -91.6 -18.8 38.5 9.1 1.6 137 146 A G S < S+ 0 0 7 -3,-0.7 260,-1.3 -4,-0.3 2,-0.3 0.493 79.0 65.9 82.1 5.8 39.3 7.4 4.7 138 147 A Q E +F 396 0B 124 -5,-0.4 2,-0.3 258,-0.2 -2,-0.2 -1.000 41.8 150.7-174.4 143.1 36.0 9.0 5.9 139 148 A C E -F 395 0B 9 256,-1.6 256,-3.8 -2,-0.3 2,-0.8 -0.917 46.4-117.0-161.7 147.4 32.1 9.5 5.8 140 149 A N E > -F 394 0B 42 254,-0.3 4,-2.4 -2,-0.3 5,-0.2 -0.975 40.9-145.7 -78.9 110.6 29.3 10.5 8.2 141 150 A F H >>S+ 0 0 1 252,-3.3 5,-2.8 -2,-0.8 4,-1.6 0.905 87.5 56.6 -58.3 -53.0 27.7 6.9 7.8 142 151 A T H 4>S+ 0 0 9 3,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.912 119.2 25.6 -27.1 -63.1 24.1 8.2 8.0 143 152 A E H 45S+ 0 0 107 3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.746 119.7 55.8 -94.3 -20.7 24.1 10.7 5.3 144 153 A D H <5S- 0 0 56 -4,-2.4 -1,-0.2 3,-0.1 -3,-0.2 0.712 135.0 -17.2 -74.1 -23.7 26.8 9.3 3.1 145 154 A Y T X5S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -3,-0.2 0.430 123.2 68.2-147.1 -56.5 25.3 5.8 2.7 146 155 A A T 4 S+ 0 0 18 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.797 106.7 55.0 -55.2 -33.9 21.2 7.5 -0.3 149 158 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.1 0.950 115.1 27.5 -79.9 -51.1 21.0 3.8 -0.9 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.799 123.8 52.5 -64.1 -39.2 17.6 2.5 0.2 151 160 A I H X S+ 0 0 3 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.897 109.6 46.3 -66.3 -27.5 16.0 5.8 -0.4 152 161 A R H X S+ 0 0 88 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.926 110.2 54.9 -84.6 -38.4 17.3 6.1 -3.9 153 162 A I H X S+ 0 0 2 -4,-1.5 4,-3.3 -5,-0.2 -1,-0.2 0.857 109.8 48.0 -40.9 -47.9 16.2 2.5 -4.5 154 163 A F H X S+ 0 0 7 -4,-2.4 4,-2.7 86,-0.3 6,-0.2 0.918 111.0 47.9 -73.0 -44.7 12.6 3.6 -3.3 155 164 A M H <>S+ 0 0 4 -4,-2.5 5,-0.8 2,-0.2 4,-0.4 0.862 111.5 52.9 -50.9 -40.6 12.5 6.7 -5.5 156 165 A L H ><5S+ 0 0 63 -4,-2.6 3,-2.0 -5,-0.2 -2,-0.2 0.997 116.4 38.4 -62.9 -55.2 13.7 4.3 -8.2 157 166 A L H 3<5S+ 0 0 16 -4,-3.3 53,-2.8 1,-0.3 -2,-0.2 0.793 120.1 44.3 -61.5 -43.0 10.7 1.9 -7.4 158 167 A A T 3<5S- 0 0 0 -4,-2.7 -1,-0.3 51,-0.2 53,-0.3 0.340 105.2-130.4 -76.2 1.8 8.1 4.6 -6.7 159 168 A G T < 5 + 0 0 37 -3,-2.0 -3,-0.2 -4,-0.4 -4,-0.1 0.753 57.9 148.4 29.6 30.8 9.3 6.5 -9.9 160 169 A L < - 0 0 8 -5,-0.8 -1,-0.1 -6,-0.2 -2,-0.1 -0.728 52.4-105.8 -71.1 145.0 9.5 9.6 -7.7 161 170 A P > - 0 0 62 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.282 20.3-128.7 -77.1 151.7 12.4 12.3 -8.6 162 171 A E G > S+ 0 0 94 1,-0.2 3,-1.1 2,-0.2 -7,-0.0 0.784 101.5 72.3 -75.7 -29.5 15.4 12.5 -6.4 163 172 A E G 3 S+ 0 0 158 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.615 93.4 65.4 -44.0 -14.9 15.3 16.3 -5.8 164 173 A D G X> S+ 0 0 53 -3,-1.2 4,-2.5 1,-0.2 3,-1.4 0.792 74.8 86.9 -97.6 -20.4 12.3 15.3 -3.6 165 174 A I H <> S+ 0 0 31 -3,-1.1 4,-2.3 -4,-0.4 5,-0.4 0.767 79.1 59.7 -42.8 -48.5 14.0 13.3 -1.0 166 175 A P H 3> S+ 0 0 100 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.913 112.6 38.6 -65.2 -21.9 14.9 16.0 1.3 167 176 A H H <> S+ 0 0 97 -3,-1.4 4,-3.6 -4,-0.3 5,-0.3 0.915 116.6 50.8 -78.3 -44.6 11.2 17.0 1.8 168 177 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 5,-0.2 0.886 114.0 46.7 -63.4 -32.5 9.8 13.5 1.8 169 178 A K H X S+ 0 0 16 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.913 110.5 48.0 -71.4 -43.0 12.4 12.5 4.4 170 179 A Y H X S+ 0 0 100 -4,-1.5 4,-1.3 -5,-0.4 -2,-0.2 0.984 115.4 47.2 -68.2 -44.4 11.9 15.4 6.7 171 180 A L H X S+ 0 0 8 -4,-3.6 4,-0.8 1,-0.2 -1,-0.2 0.830 112.4 48.8 -66.2 -25.9 8.1 14.9 6.6 172 181 A T H >X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.3 3,-0.5 0.881 107.2 54.6 -85.8 -35.6 8.3 11.1 7.1 173 182 A D H 3X S+ 0 0 33 -4,-2.5 4,-4.5 1,-0.2 -1,-0.3 0.872 99.6 63.7 -62.3 -36.1 10.7 11.6 10.1 174 183 A Q H 3< S+ 0 0 7 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.706 103.2 49.9 -63.9 -16.8 7.9 14.0 11.5 175 184 A M H << S+ 0 0 4 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.787 124.7 24.8 -88.2 -18.8 5.7 11.0 11.7 176 185 A T H < S+ 0 0 1 -4,-1.6 210,-1.7 1,-0.1 211,-0.7 0.775 137.7 20.7-110.6 -23.6 8.2 8.7 13.5 177 186 A R S < S- 0 0 41 -4,-4.5 -1,-0.1 -5,-0.3 -2,-0.1 -0.337 83.4-158.7-132.6 60.0 10.6 11.0 15.4 178 187 A P - 0 0 50 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.069 16.0-159.1 -59.5 127.2 8.6 14.2 15.6 179 188 A D - 0 0 121 1,-0.0 -5,-0.1 3,-0.0 -6,-0.0 0.407 44.2-117.7 -61.5 -14.8 10.8 17.3 16.2 180 189 A G S S+ 0 0 63 2,-0.4 3,-0.1 -6,-0.1 -1,-0.0 0.371 90.8 114.5 71.7 1.5 7.6 18.8 17.5 181 190 A S S S+ 0 0 66 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.775 86.8 14.5 -53.3 -26.0 7.8 21.3 14.8 182 191 A M S S- 0 0 40 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.2 -0.998 76.8-112.1-156.3 141.4 4.6 19.7 13.6 183 192 A T > - 0 0 77 -2,-0.4 4,-3.3 1,-0.1 5,-0.2 -0.320 35.4-115.7 -58.2 161.8 1.7 17.3 14.5 184 193 A F H > S+ 0 0 15 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.984 122.2 54.1 -59.6 -55.9 1.4 13.9 12.8 185 194 A A H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.924 111.3 48.7 -38.7 -54.3 -1.9 15.0 11.3 186 195 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.889 112.2 45.3 -52.6 -61.3 0.3 17.9 10.0 187 196 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.857 114.4 52.1 -39.1 -47.7 3.2 15.8 8.6 188 197 A K H X S+ 0 0 23 -4,-3.4 4,-2.5 2,-0.2 5,-0.2 0.978 107.3 45.6 -76.9 -58.0 0.7 13.5 7.0 189 198 A E H X S+ 0 0 99 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.896 111.5 55.6 -45.7 -50.2 -1.5 16.0 5.0 190 199 A A H X S+ 0 0 28 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.972 109.2 46.9 -57.3 -46.8 1.6 17.7 3.8 191 200 A L H >X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.7 0.919 110.4 50.9 -52.0 -54.4 2.7 14.3 2.5 192 201 A Y H 3X S+ 0 0 2 -4,-2.5 4,-3.9 1,-0.2 -2,-0.2 0.930 105.4 57.1 -44.2 -45.9 -0.7 13.7 0.9 193 202 A D H 3< S+ 0 0 100 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.526 110.3 46.1 -70.0 -10.6 -0.5 17.2 -0.9 194 203 A Y H S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.869 114.1 48.8 -69.1 -42.3 -1.1 15.4 -7.6 198 207 A I H X S+ 0 0 26 -4,-1.0 4,-2.9 -3,-0.5 5,-0.2 0.912 109.0 54.6 -71.5 -31.0 1.1 12.5 -8.7 199 208 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.964 108.3 48.9 -64.9 -33.2 -1.6 10.1 -8.0 200 209 A E H X S+ 0 0 102 -4,-1.0 4,-0.7 1,-0.3 -1,-0.2 0.839 111.4 48.8 -82.2 -33.3 -4.0 12.0 -10.3 201 210 A Q H >X S+ 0 0 105 -4,-1.7 4,-3.1 1,-0.2 3,-0.6 0.881 110.5 51.5 -67.1 -46.4 -1.4 12.2 -13.1 202 211 A R H 3< S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.713 102.8 56.3 -74.1 -29.9 -0.7 8.5 -12.9 203 212 A R H 3< S+ 0 0 104 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.702 117.0 39.9 -66.9 -27.2 -4.4 7.3 -13.1 204 213 A Q H << S+ 0 0 139 -4,-0.7 -2,-0.3 -3,-0.6 -3,-0.1 0.886 129.7 27.6 -79.9 -53.8 -4.5 9.2 -16.3 205 214 A K S < S- 0 0 179 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.786 91.2-158.8-116.8 76.5 -0.9 8.3 -17.7 206 215 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.378 15.9-179.3 -66.6 135.2 -0.6 4.7 -15.9 207 216 A G - 0 0 38 2,-0.2 9,-0.1 -2,-0.1 -5,-0.0 -0.267 41.2 -98.5-128.2-162.9 2.9 3.5 -15.6 208 217 A T S S+ 0 0 131 -2,-0.1 2,-0.2 4,-0.1 -49,-0.1 0.241 84.3 101.1-106.5 2.5 5.0 0.6 -14.3 209 218 A D S >> S- 0 0 25 -51,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.535 88.8 -98.2 -86.8 165.5 6.1 2.2 -10.8 210 219 A A H 3> S+ 0 0 0 -53,-2.8 4,-1.6 1,-0.2 5,-0.3 0.810 120.0 51.4 -44.6 -43.5 4.7 1.6 -7.4 211 220 A I H 3> S+ 0 0 2 -53,-0.3 4,-2.6 -54,-0.2 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