==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-10 3NC7 . COMPND 2 MOLECULE: CYTOCHROME P450 CYPX; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.J.CRYLE,I.SCHLICHTING . 763 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 3 0.4 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 . 1 0.1 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 . 44 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 5 0 1 1 3 2 2 2 2 0 0 2 0 2 0 0 0 0 0 0 0 0 2 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 8 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 2 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 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 5 A I > 0 0 103 0, 0.0 3,-0.5 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 107.1 3.2 -0.7 -7.7 2 6 A K T 3 + 0 0 64 1,-0.2 28,-0.1 23,-0.1 23,-0.0 0.556 360.0 78.6 -80.1 -13.1 3.5 -4.5 -8.2 3 7 A L T 3 + 0 0 87 2,-0.1 -1,-0.2 28,-0.0 0, 0.0 0.640 68.7 117.1 -71.0 -16.0 2.9 -3.8 -11.9 4 8 A F < - 0 0 50 -3,-0.5 2,-0.4 1,-0.1 0, 0.0 -0.214 62.4-129.5 -59.8 141.7 6.5 -2.7 -12.4 5 9 A S > - 0 0 39 1,-0.1 3,-0.7 26,-0.1 6,-0.3 -0.793 14.1-165.0-100.7 129.1 8.8 -4.7 -14.8 6 10 A V T 3 S+ 0 0 2 -2,-0.4 -1,-0.1 1,-0.2 25,-0.1 0.374 93.1 56.4 -92.5 4.9 12.2 -6.0 -13.7 7 11 A L T 3 S+ 0 0 25 4,-0.0 -1,-0.2 5,-0.0 2,-0.1 0.271 86.8 118.4-106.7 4.3 13.2 -6.7 -17.4 8 12 A S S <> S- 0 0 31 -3,-0.7 4,-2.5 1,-0.1 3,-0.4 -0.355 77.7-119.7 -78.5 151.9 12.5 -3.0 -18.3 9 13 A D H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.895 116.8 56.2 -50.9 -43.5 15.1 -0.6 -19.6 10 14 A Q H 4 S+ 0 0 111 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.836 107.9 45.7 -61.6 -39.5 14.4 1.5 -16.5 11 15 A F H >4 S+ 0 0 6 -3,-0.4 3,-1.4 -6,-0.3 -1,-0.2 0.925 111.6 52.7 -65.5 -46.0 15.2 -1.3 -14.2 12 16 A Q H 3< S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 95.3 67.9 -65.7 -31.6 18.3 -2.2 -16.1 13 17 A N T 3< S- 0 0 125 -4,-2.0 -1,-0.3 1,-0.3 352,-0.2 0.708 129.6 -8.0 -59.7 -23.2 19.7 1.4 -15.9 14 18 A N X + 0 0 77 -3,-1.4 3,-0.9 -4,-0.4 -1,-0.3 -0.382 62.0 177.6-177.1 89.3 20.1 1.0 -12.2 15 19 A P G >> S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-1.1 0.805 78.8 69.4 -68.6 -30.3 18.8 -2.1 -10.3 16 20 A Y G 34 S+ 0 0 30 1,-0.3 4,-0.4 2,-0.2 -5,-0.0 0.627 91.1 63.3 -67.9 -12.3 20.1 -1.1 -6.9 17 21 A A G <4 S+ 0 0 61 -3,-0.9 -1,-0.3 -6,-0.2 4,-0.2 0.623 111.3 35.2 -80.2 -15.0 17.5 1.7 -6.8 18 22 A Y T <> S+ 0 0 63 -3,-1.9 4,-1.6 -4,-0.2 -2,-0.2 0.566 92.5 82.4-120.1 -14.6 14.6 -0.7 -6.9 19 23 A F H X S+ 0 0 5 -4,-1.1 4,-2.3 1,-0.2 3,-0.2 0.914 87.6 60.6 -61.0 -45.4 15.7 -3.8 -4.8 20 24 A S H 4 S+ 0 0 63 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.908 108.3 43.7 -46.5 -50.3 14.8 -2.1 -1.6 21 25 A Q H 4>S+ 0 0 106 -4,-0.2 5,-0.6 1,-0.2 -1,-0.2 0.801 107.8 58.0 -70.8 -32.5 11.2 -1.8 -2.7 22 26 A L H >X5S+ 0 0 15 -4,-1.6 4,-2.2 -3,-0.2 3,-1.2 0.974 104.8 56.0 -62.5 -55.3 11.0 -5.4 -4.1 23 27 A R T 3<5S+ 0 0 5 -4,-2.3 3,-0.1 1,-0.2 18,-0.0 -0.409 112.4 29.7 -62.2 153.9 11.9 -6.8 -0.7 24 28 A E T 345S+ 0 0 122 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.404 135.6 30.2 73.0 -5.2 9.5 -5.5 1.9 25 29 A E T <45S+ 0 0 134 -3,-1.2 -3,-0.2 -5,-0.1 -1,-0.2 0.478 132.5 10.7-144.9 -53.4 6.7 -5.2 -0.7 26 30 A D << + 0 0 40 -4,-2.2 3,-0.3 -5,-0.6 -3,-0.1 -0.523 65.2 157.1-134.6 67.6 6.8 -7.8 -3.6 27 31 A P S S+ 0 0 24 0, 0.0 13,-1.5 0, 0.0 2,-1.2 0.898 78.6 45.5 -59.9 -49.1 9.5 -10.3 -2.6 28 32 A V E S-A 39 0A 9 11,-0.2 2,-0.6 12,-0.1 11,-0.2 -0.724 90.2-171.3 -91.5 79.3 8.2 -13.1 -4.9 29 33 A H E -A 38 0A 3 9,-2.6 9,-3.4 -2,-1.2 2,-0.3 -0.666 12.4-143.7 -83.3 116.1 7.7 -10.7 -7.8 30 34 A Y E -A 37 0A 81 -2,-0.6 2,-0.6 7,-0.2 7,-0.2 -0.617 4.9-149.4 -78.8 133.0 5.9 -12.3 -10.7 31 35 A E E > -A 36 0A 0 5,-2.4 5,-0.9 -2,-0.3 3,-0.2 -0.914 0.9-158.5-107.8 114.5 7.0 -11.3 -14.2 32 36 A E T 5S+ 0 0 107 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.577 83.2 62.8 -68.7 -13.4 4.1 -11.4 -16.7 33 37 A S T 5S+ 0 0 85 3,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.935 112.9 19.8 -82.3 -57.8 6.4 -11.7 -19.7 34 38 A I T 5S- 0 0 63 -3,-0.2 2,-0.8 2,-0.2 -3,-0.0 -0.460 96.8-103.2 -90.6 178.3 8.2 -15.0 -19.2 35 39 A D T 5S+ 0 0 98 -2,-0.2 246,-0.8 -5,-0.1 2,-0.3 -0.673 80.9 120.9-103.0 75.7 6.5 -17.5 -16.8 36 40 A S E < -Ab 31 281A 0 -5,-0.9 -5,-2.4 -2,-0.8 2,-0.4 -0.997 54.8-143.2-148.1 137.0 8.9 -16.7 -14.0 37 41 A Y E -Ab 30 282A 46 244,-1.0 246,-3.6 -2,-0.3 2,-0.6 -0.863 16.2-146.4-103.4 137.4 9.0 -15.5 -10.4 38 42 A F E -Ab 29 283A 4 -9,-3.4 -9,-2.6 -2,-0.4 2,-0.5 -0.924 11.2-157.9-106.4 118.6 11.8 -13.2 -9.2 39 43 A I E +Ab 28 284A 0 244,-3.3 246,-2.6 -2,-0.6 -11,-0.2 -0.851 16.5 172.1-103.5 128.2 12.7 -13.7 -5.6 40 44 A S + 0 0 0 -13,-1.5 2,-0.3 -2,-0.5 -17,-0.2 0.501 41.1 99.1-118.0 -6.5 14.6 -10.8 -3.9 41 45 A R > - 0 0 88 -14,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.704 66.8-132.4 -93.9 137.6 14.9 -11.6 -0.1 42 46 A Y H > S+ 0 0 5 -2,-0.3 4,-3.1 246,-0.2 5,-0.2 0.915 104.8 39.7 -51.1 -60.9 18.1 -13.0 1.3 43 47 A H H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.825 116.3 52.9 -60.9 -34.0 16.7 -15.8 3.5 44 48 A D H > S+ 0 0 29 2,-0.2 4,-1.0 3,-0.1 -2,-0.2 0.931 115.3 40.4 -66.7 -46.4 14.2 -16.6 0.8 45 49 A V H >X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 3,-1.7 0.992 112.6 53.2 -61.8 -63.8 16.9 -16.9 -1.8 46 50 A R H 3X S+ 0 0 90 -4,-3.1 4,-1.2 1,-0.3 -2,-0.2 0.800 105.4 54.8 -45.4 -43.4 19.5 -18.7 0.4 47 51 A Y H 3X S+ 0 0 107 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.3 0.872 109.2 49.3 -56.2 -39.5 17.0 -21.5 1.3 48 52 A I H << S+ 0 0 0 -3,-1.7 7,-0.3 -4,-1.0 -2,-0.2 0.936 112.3 45.5 -66.5 -48.2 16.5 -22.0 -2.5 49 53 A L H < S+ 0 0 1 -4,-1.8 280,-0.4 1,-0.2 277,-0.3 0.632 110.4 58.2 -69.0 -16.5 20.2 -22.2 -3.2 50 54 A Q H < S+ 0 0 52 -4,-1.2 278,-0.4 -5,-0.3 -1,-0.2 0.889 107.0 45.2 -77.3 -40.3 20.6 -24.5 -0.2 51 55 A H X + 0 0 86 -4,-1.5 4,-1.9 -3,-0.2 3,-0.4 -0.833 53.0 167.0-118.5 93.8 18.1 -27.2 -1.4 52 56 A P T 4 S+ 0 0 26 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.243 71.9 73.9 -92.4 11.4 18.5 -28.4 -5.0 53 57 A D T 4 S+ 0 0 140 3,-0.1 3,-0.3 2,-0.0 -2,-0.0 0.815 112.5 26.8 -81.8 -39.1 16.2 -31.4 -4.5 54 58 A I T 4 S+ 0 0 34 -3,-0.4 212,-2.3 1,-0.3 2,-0.8 0.875 133.8 37.3 -85.7 -46.7 13.2 -29.1 -4.4 55 59 A F E < S-C 265 0A 0 -4,-1.9 -1,-0.3 -7,-0.3 2,-0.2 -0.860 88.8-163.2-109.8 92.5 14.7 -26.3 -6.5 56 60 A T E -C 264 0A 47 208,-1.1 208,-2.7 -2,-0.8 2,-0.1 -0.557 2.0-151.0 -82.5 141.2 16.7 -28.3 -9.1 57 61 A T - 0 0 49 -5,-0.3 2,-0.5 -2,-0.2 206,-0.1 -0.350 31.2 -88.2 -95.3-179.2 19.3 -26.6 -11.1 58 62 A K - 0 0 105 204,-0.2 -1,-0.0 -2,-0.1 6,-0.0 -0.866 54.1-108.2 -98.4 128.4 20.5 -27.4 -14.6 59 63 A S - 0 0 48 -2,-0.5 -1,-0.1 1,-0.1 -3,-0.0 0.024 19.1-111.3 -61.8 161.5 23.3 -30.0 -14.6 60 64 A L S S+ 0 0 49 1,-0.2 147,-0.1 9,-0.1 -1,-0.1 0.093 107.4 45.9 -84.3 23.1 27.0 -29.5 -15.4 61 65 A V S S+ 0 0 13 2,-0.1 -1,-0.2 146,-0.1 3,-0.1 0.625 87.3 83.8-127.3 -48.5 27.1 -31.5 -18.6 62 66 A E S S- 0 0 86 1,-0.1 3,-0.1 142,-0.0 138,-0.0 -0.230 94.2 -81.2 -58.7 149.2 24.1 -30.6 -20.7 63 67 A R - 0 0 74 1,-0.1 2,-1.0 -3,-0.0 -1,-0.1 -0.047 40.2-106.2 -39.6 141.1 24.4 -27.5 -22.9 64 68 A A - 0 0 22 139,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.791 61.9-150.4 -66.3 112.0 23.9 -24.1 -21.4 65 69 A E - 0 0 52 -2,-1.0 -3,-0.0 1,-0.2 -1,-0.0 -0.385 30.4 -55.0 -90.2 167.0 20.6 -24.2 -23.3 66 70 A P 0 0 102 0, 0.0 -1,-0.2 0, 0.0 81,-0.1 -0.207 360.0 360.0 -35.0 117.3 18.6 -21.3 -24.8 67 71 A V 0 0 81 79,-0.7 80,-0.2 -3,-0.1 79,-0.1 0.401 360.0 360.0-132.8 360.0 18.1 -19.1 -21.7 68 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 87 A A 0 0 115 0, 0.0 3,-0.2 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 -41.8 25.6 -35.8 -10.5 70 88 A K > + 0 0 159 1,-0.1 4,-0.8 2,-0.1 3,-0.1 -0.087 360.0 108.9-129.9 33.0 29.0 -35.6 -8.6 71 89 A R H > S+ 0 0 66 2,-0.2 4,-4.2 1,-0.2 5,-0.3 0.569 70.2 79.8 -74.1 -13.5 31.6 -34.7 -11.2 72 90 A R H > S+ 0 0 48 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.986 92.3 46.9 -50.9 -61.1 31.4 -31.4 -9.2 73 91 A I H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 115.0 47.7 -40.4 -53.2 33.6 -33.2 -6.6 74 92 A V H X S+ 0 0 59 -4,-0.8 4,-1.0 1,-0.2 3,-0.3 0.924 115.1 42.3 -62.5 -50.0 35.8 -34.3 -9.4 75 93 A V H X S+ 0 0 5 -4,-4.2 4,-1.7 1,-0.2 3,-0.3 0.884 106.4 65.0 -64.9 -38.6 36.1 -30.9 -11.2 76 94 A R H X S+ 0 0 83 -4,-3.6 4,-3.0 -5,-0.3 -1,-0.2 0.876 107.1 40.0 -53.1 -46.0 36.5 -29.1 -7.9 77 95 A S H X S+ 0 0 48 -4,-1.5 4,-3.1 -3,-0.3 5,-0.3 0.715 108.4 61.7 -78.6 -20.7 39.9 -30.8 -7.2 78 96 A F H < S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.748 115.5 34.5 -77.4 -24.1 41.0 -30.5 -10.8 79 97 A I H >X S+ 0 0 13 -4,-1.7 4,-2.2 -3,-0.1 3,-0.6 0.880 121.5 49.7 -79.2 -56.9 40.7 -26.8 -10.4 80 98 A G H 3< S+ 0 0 28 -4,-3.0 4,-0.3 -5,-0.3 -2,-0.2 0.846 113.7 41.8 -51.8 -50.9 41.9 -27.0 -6.7 81 99 A D T 3< S+ 0 0 109 -4,-3.1 3,-0.3 1,-0.2 -1,-0.3 0.774 120.9 45.6 -67.3 -27.2 45.0 -29.1 -7.2 82 100 A A T X> S+ 0 0 29 -3,-0.6 3,-2.6 -5,-0.3 4,-1.2 0.700 84.9 86.1 -93.2 -23.6 45.9 -27.2 -10.4 83 101 A L T 3< S+ 0 0 32 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.679 89.2 55.0 -58.5 -19.9 45.4 -23.5 -9.3 84 102 A D T 34 S+ 0 0 97 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.567 104.1 54.2 -88.6 -9.7 49.0 -23.5 -7.9 85 103 A H T <4 S+ 0 0 136 -3,-2.6 4,-0.2 1,-0.1 -2,-0.2 0.717 109.2 47.9 -87.0 -26.3 50.5 -24.6 -11.3 86 104 A L S X S+ 0 0 22 -4,-1.2 4,-3.1 1,-0.2 5,-0.4 0.479 85.1 95.1 -92.7 -6.5 48.7 -21.7 -13.1 87 105 A S H > S+ 0 0 35 1,-0.2 4,-1.0 -5,-0.2 -1,-0.2 0.862 87.2 44.1 -55.5 -42.6 49.9 -19.1 -10.6 88 106 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.789 116.0 49.4 -73.4 -23.3 52.9 -18.1 -12.6 89 107 A L H > S+ 0 0 55 -3,-0.3 4,-3.3 2,-0.2 -2,-0.2 0.927 109.4 47.2 -81.2 -47.7 50.8 -18.1 -15.8 90 108 A I H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.852 114.8 53.6 -51.3 -36.0 47.9 -15.9 -14.5 91 109 A K H X S+ 0 0 92 -4,-1.0 4,-1.8 -5,-0.4 -2,-0.2 0.934 110.7 41.1 -68.2 -50.4 50.8 -13.8 -13.3 92 110 A Q H X S+ 0 0 85 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.883 109.8 61.6 -65.4 -40.5 52.6 -13.5 -16.7 93 111 A N H X S+ 0 0 7 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.942 106.9 43.4 -50.2 -53.8 49.2 -13.0 -18.4 94 112 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.944 116.7 46.7 -56.7 -51.5 48.5 -9.8 -16.4 95 113 A E H X S+ 0 0 62 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.893 114.7 46.6 -60.5 -45.2 52.0 -8.5 -16.9 96 114 A N H < S+ 0 0 105 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.8 47.7 -62.4 -43.5 52.1 -9.2 -20.6 97 115 A L H < S+ 0 0 35 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.718 112.9 48.9 -74.5 -21.9 48.7 -7.8 -21.2 98 116 A L H >X S+ 0 0 4 -4,-1.6 3,-1.7 -5,-0.2 4,-1.0 0.800 89.5 81.6 -86.1 -31.7 49.4 -4.6 -19.3 99 117 A A T 3< S+ 0 0 54 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.763 85.3 57.9 -50.0 -40.1 52.8 -3.8 -20.9 100 118 A P T 34 S+ 0 0 73 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.861 108.3 47.4 -55.9 -36.8 51.3 -2.1 -24.0 101 119 A Y T <>>S+ 0 0 43 -3,-1.7 4,-1.0 -4,-0.2 5,-0.8 0.659 87.4 94.7 -90.5 -17.3 49.4 0.4 -21.9 102 120 A L T <5S+ 0 0 56 -4,-1.0 2,-2.9 -3,-0.3 4,-0.1 -0.198 89.5 26.0 -59.5 167.3 52.2 1.5 -19.5 103 121 A E T 45S+ 0 0 191 278,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.272 109.4 71.8 66.1 -55.4 54.0 4.7 -20.7 104 122 A R T 45S- 0 0 157 -2,-2.9 -1,-0.2 -4,-0.3 -2,-0.2 0.859 100.4-145.1 -48.2 -34.5 50.9 5.8 -22.6 105 123 A G T <5 + 0 0 12 -4,-1.0 275,-3.1 1,-0.2 2,-0.3 0.541 61.3 70.7 83.7 10.9 49.9 6.3 -19.0 106 124 A K E < +E 379 0B 115 -5,-0.8 2,-0.3 273,-0.3 273,-0.2 -0.955 48.7 165.1-153.1 164.1 46.2 5.3 -19.5 107 125 A S E -E 378 0B 6 271,-2.0 271,-2.0 -2,-0.3 2,-0.6 -0.969 38.4-120.5-173.2 160.5 43.9 2.4 -20.2 108 126 A D E >> -E 377 0B 17 -2,-0.3 4,-3.1 269,-0.2 5,-0.9 -0.930 28.1-156.2-111.9 102.0 40.3 1.1 -20.2 109 127 A L I 4>S+ 0 0 8 267,-1.9 5,-2.2 -2,-0.6 268,-0.1 0.607 89.1 42.3 -59.9 -16.4 40.6 -1.8 -17.8 110 128 A V I 4>S+ 0 0 10 266,-0.2 5,-1.7 3,-0.2 6,-0.3 0.859 126.7 26.8 -93.1 -44.3 37.6 -3.6 -19.3 111 129 A N I 45S+ 0 0 79 3,-0.1 -2,-0.2 -3,-0.1 5,-0.1 0.865 129.3 37.5 -92.7 -39.5 38.2 -3.1 -23.0 112 130 A D I <5S+ 0 0 49 -4,-3.1 -3,-0.2 3,-0.1 -1,-0.1 0.747 138.2 0.5 -77.6 -24.6 42.0 -2.7 -23.2 113 131 A F I >> S+ 0 0 29 -6,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.807 112.6 47.7 -72.2 -33.7 41.4 -10.4 -22.8 117 135 A F H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 3,-1.3 0.995 109.9 48.0 -61.2 -60.2 43.5 -17.5 -17.9 122 140 A T H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.832 109.8 55.8 -47.5 -36.8 40.6 -19.8 -18.9 123 141 A M H 3X>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 4,-1.1 0.829 106.1 48.1 -69.1 -33.8 42.7 -20.9 -21.8 124 142 A D H <<5S+ 0 0 24 -4,-1.5 -1,-0.2 -3,-1.3 -2,-0.2 0.803 110.6 52.6 -72.4 -31.6 45.6 -22.0 -19.7 125 143 A M H <5S+ 0 0 12 -4,-1.9 61,-1.9 1,-0.2 -2,-0.2 0.850 117.8 37.0 -71.0 -37.3 43.2 -23.9 -17.5 126 144 A L H <5S- 0 0 1 -4,-1.9 61,-0.3 -5,-0.2 -2,-0.2 0.586 110.0-128.9 -86.1 -15.8 41.9 -25.6 -20.6 127 145 A G T <5 + 0 0 24 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.679 53.3 150.7 78.4 17.7 45.4 -25.8 -22.1 128 146 A L < - 0 0 15 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.363 59.3 -82.4 -78.2 164.6 44.5 -24.2 -25.4 129 147 A D > - 0 0 62 1,-0.1 3,-2.1 -2,-0.1 -1,-0.1 -0.567 32.5-147.0 -76.5 117.3 47.0 -22.2 -27.5 130 148 A K G > S+ 0 0 52 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.592 90.0 75.6 -66.3 -12.5 47.1 -18.6 -26.1 131 149 A R G 3 S+ 0 0 201 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.771 90.7 57.9 -61.5 -29.2 47.8 -17.2 -29.6 132 150 A D G <> + 0 0 39 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.218 68.0 118.7 -90.0 15.7 44.2 -17.8 -30.5 133 151 A H H <> S+ 0 0 44 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.796 72.6 53.1 -58.2 -31.9 42.8 -15.7 -27.7 134 152 A E H > S+ 0 0 138 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.958 106.9 50.3 -66.4 -54.1 41.1 -13.2 -30.1 135 153 A K H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.926 116.0 45.7 -43.0 -48.7 39.1 -16.0 -32.0 136 154 A I H X S+ 0 0 3 -4,-1.9 4,-3.5 2,-0.2 5,-0.2 0.913 106.5 52.6 -74.3 -44.7 38.0 -17.3 -28.6 137 155 A S H X S+ 0 0 24 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.911 113.0 50.5 -56.6 -40.8 37.0 -14.0 -26.9 138 156 A E H >X S+ 0 0 105 -4,-2.1 4,-2.2 2,-0.2 3,-0.7 0.977 114.5 39.2 -59.4 -62.4 34.8 -13.4 -29.9 139 157 A W H 3X S+ 0 0 15 -4,-2.3 4,-1.6 1,-0.3 5,-0.3 0.870 112.4 59.5 -57.3 -39.1 33.1 -16.8 -30.0 140 158 A H H 3X S+ 0 0 8 -4,-3.5 4,-2.1 1,-0.2 -1,-0.3 0.854 108.2 43.5 -59.0 -37.4 32.9 -16.8 -26.2 141 159 A S H - 0 0 61 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.385 38.6-111.9 -72.8 159.7 17.9 -10.1 -33.4 154 172 A P H > S+ 0 0 119 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.755 120.8 53.8 -68.9 -17.7 17.9 -12.6 -36.2 155 173 A E H > S+ 0 0 160 2,-0.2 4,-2.5 3,-0.1 5,-0.1 0.906 111.3 42.4 -73.0 -48.5 21.4 -11.4 -37.0 156 174 A A H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.928 112.9 52.5 -64.3 -48.0 22.7 -11.9 -33.4 157 175 A R H X S+ 0 0 131 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.846 112.3 47.1 -57.3 -37.8 20.9 -15.3 -33.0 158 176 A A H X S+ 0 0 55 -4,-0.9 4,-2.0 -5,-0.3 -1,-0.2 0.929 112.6 48.9 -68.1 -47.6 22.6 -16.4 -36.3 159 177 A H H X S+ 0 0 74 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.846 110.2 51.1 -61.2 -39.0 25.9 -15.1 -35.1 160 178 A S H X S+ 0 0 1 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.845 109.0 51.1 -65.7 -37.5 25.6 -16.8 -31.7 161 179 A L H X S+ 0 0 90 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.889 108.6 52.2 -67.0 -40.0 24.8 -20.1 -33.4 162 180 A W H X S+ 0 0 105 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.899 106.0 54.6 -62.4 -42.5 27.9 -19.7 -35.7 163 181 A C H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.883 108.0 47.6 -59.2 -44.0 30.1 -19.2 -32.6 164 182 A S H X S+ 0 0 28 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.904 113.3 49.2 -64.4 -41.9 29.0 -22.4 -31.0 165 183 A E H X S+ 0 0 103 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 114.1 46.2 -59.7 -45.3 29.6 -24.2 -34.3 166 184 A Q H X S+ 0 0 57 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.903 113.1 49.2 -64.6 -44.3 33.0 -22.5 -34.4 167 185 A L H X S+ 0 0 3 -4,-3.1 4,-2.4 2,-0.2 3,-0.4 0.899 110.4 50.4 -62.1 -46.8 33.7 -23.4 -30.8 168 186 A S H X S+ 0 0 38 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.939 109.4 48.5 -58.2 -52.9 32.8 -27.0 -31.2 169 187 A Q H < S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.646 113.9 49.6 -70.1 -12.9 34.9 -27.7 -34.2 170 188 A Y H X S+ 0 0 44 -4,-0.8 4,-0.7 -3,-0.4 -1,-0.2 0.895 117.6 35.8 -84.8 -50.0 37.9 -26.1 -32.5 171 189 A L H X S+ 0 0 4 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.833 104.6 69.1 -73.6 -35.9 37.7 -27.9 -29.2 172 190 A M H X S+ 0 0 39 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.866 99.6 46.1 -60.9 -45.7 36.6 -31.4 -30.4 173 191 A P H > S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.901 111.9 54.2 -60.8 -39.1 39.8 -32.4 -32.3 174 192 A V H X S+ 0 0 29 -4,-0.7 4,-1.0 1,-0.2 -2,-0.2 0.762 104.6 56.2 -62.9 -27.5 41.7 -31.2 -29.2 175 193 A I H X S+ 0 0 0 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.2 0.925 110.6 41.7 -70.2 -45.8 39.5 -33.5 -27.1 176 194 A K H X S+ 0 0 101 -4,-1.7 4,-1.3 1,-0.2 5,-0.3 0.879 108.2 60.6 -67.8 -41.4 40.5 -36.6 -29.1 177 195 A E H X S+ 0 0 104 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.853 114.0 36.7 -52.5 -37.1 44.2 -35.6 -29.3 178 196 A R H < S+ 0 0 29 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.665 101.9 70.6 -95.7 -19.7 44.3 -35.7 -25.5 179 197 A R H < S+ 0 0 76 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.845 118.4 25.5 -57.9 -35.9 42.0 -38.7 -25.0 180 198 A V H < S+ 0 0 122 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.780 136.1 32.8-100.5 -40.1 44.9 -40.6 -26.4 181 199 A N S < S- 0 0 109 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 -0.756 84.2-158.2-119.9 87.6 47.8 -38.3 -25.5 182 200 A P - 0 0 64 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.275 6.5-166.0 -60.5 139.3 47.0 -36.6 -22.2 183 201 A G - 0 0 41 2,-0.1 -56,-0.0 -5,-0.0 0, 0.0 -0.172 39.0 -97.9 -97.9-156.1 48.6 -33.3 -21.2 184 202 A S S S+ 0 0 124 -2,-0.1 2,-0.2 -57,-0.0 -57,-0.1 -0.144 89.0 100.7-120.6 36.6 48.5 -31.9 -17.7 185 203 A D S > S- 0 0 27 -59,-0.1 4,-1.4 -58,-0.1 -59,-0.2 -0.518 88.0 -95.8-107.5 177.8 45.6 -29.5 -18.4 186 204 A L H > S+ 0 0 6 -61,-1.9 4,-2.8 2,-0.2 3,-0.5 0.937 122.8 50.8 -64.8 -50.2 41.9 -29.8 -17.5 187 205 A I H > S+ 0 0 0 -61,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.927 109.1 55.3 -52.2 -44.0 40.7 -31.2 -20.9 188 206 A S H 4 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.842 110.8 43.1 -56.9 -39.7 43.5 -33.7 -20.5 189 207 A I H >< S+ 0 0 49 -4,-1.4 3,-2.5 -3,-0.5 -1,-0.2 0.866 100.0 69.2 -75.1 -39.5 42.2 -34.9 -17.1 190 208 A L H 3< S+ 0 0 16 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.803 97.7 56.1 -49.4 -30.6 38.5 -34.9 -18.2 191 209 A C T 3< S+ 0 0 17 -4,-1.0 2,-0.4 -5,-0.2 -1,-0.3 0.011 94.6 90.0 -91.7 26.1 39.5 -37.9 -20.3 192 210 A T < 0 0 63 -3,-2.5 -13,-0.0 1,-0.1 -3,-0.0 -0.976 360.0 360.0-133.1 126.5 41.0 -39.9 -17.4 193 211 A S 0 0 147 -2,-0.4 3,-0.4 3,-0.0 -1,-0.1 0.110 360.0 360.0 35.6 360.0 39.3 -42.4 -15.0 194 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 195 217 A A 0 0 130 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -60.1 33.8 -42.4 -17.1 196 218 A L - 0 0 36 -6,-0.4 2,-0.2 -3,-0.4 -3,-0.0 -0.565 360.0-137.3 -99.9 152.5 33.0 -39.6 -19.7 197 219 A S > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.468 29.2-104.1 -99.0 172.6 32.3 -39.6 -23.4 198 220 A D H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.962 117.1 42.0 -61.9 -58.6 33.5 -37.3 -26.2 199 221 A K H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.731 116.1 52.1 -67.0 -23.9 30.4 -35.2 -26.8 200 222 A D H > S+ 0 0 70 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 105.4 52.9 -74.3 -45.4 29.8 -34.9 -23.0 201 223 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.833 108.9 53.2 -60.7 -31.4 33.4 -33.8 -22.3 202 224 A L H X S+ 0 0 19 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.972 106.1 49.2 -64.8 -55.0 32.8 -31.0 -24.9 203 225 A A H X S+ 0 0 16 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.735 112.9 50.8 -59.7 -22.2 29.6 -29.7 -23.3 204 226 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 3,-0.4 0.936 109.6 47.3 -76.9 -52.7 31.5 -29.6 -20.0 205 227 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.925 111.1 54.4 -49.2 -49.8 34.5 -27.7 -21.4 206 228 A L H X S+ 0 0 5 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.827 110.1 46.1 -55.9 -35.8 31.9 -25.3 -23.0 207 229 A N H X S+ 0 0 28 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.2 0.885 112.4 48.0 -79.3 -37.4 30.3 -24.8 -19.6 208 230 A V H X S+ 0 0 15 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.869 111.2 53.0 -66.3 -39.4 33.6 -24.2 -17.7 209 231 A L H X S+ 0 0 4 -4,-3.0 4,-1.1 -5,-0.2 5,-0.2 0.942 112.8 43.4 -58.6 -50.5 34.7 -21.8 -20.5 210 232 A L H X S+ 0 0 24 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.886 119.1 46.4 -59.7 -39.5 31.5 -19.8 -20.1 211 233 A A H < S+ 0 0 62 -4,-2.0 5,-0.2 1,-0.2 -2,-0.2 0.923 112.6 42.3 -75.7 -48.1 31.8 -20.0 -16.3 212 234 A A H < S+ 0 0 24 -4,-3.2 4,-0.3 1,-0.1 -1,-0.2 0.726 115.7 52.0 -73.1 -18.7 35.4 -19.1 -15.6 213 235 A T H X S+ 0 0 0 -4,-1.1 4,-1.5 -5,-0.3 -2,-0.2 0.961 101.7 41.1 -88.5 -58.9 35.5 -16.2 -18.1 214 236 A E H X S+ 0 0 39 -4,-1.0 4,-1.6 -5,-0.2 -3,-0.1 0.945 114.6 47.0 -65.1 -53.0 32.7 -13.6 -17.9 215 237 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.825 107.3 58.4 -60.7 -35.6 32.4 -13.1 -14.0 216 238 A A H > S+ 0 0 16 -4,-0.3 4,-1.8 -5,-0.2 5,-0.2 0.974 105.2 49.7 -57.9 -59.9 36.2 -12.9 -13.6 217 239 A D H X S+ 0 0 18 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.908 113.0 46.2 -28.6 -66.9 36.4 -9.9 -15.9 218 240 A K H X S+ 0 0 27 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.796 107.2 55.5 -66.4 -37.6 33.7 -8.0 -14.2 219 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-1,-0.2 0.919 113.5 47.6 -52.1 -49.3 29.5 -3.4 31.3 592 228 B L H X S+ 0 0 10 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.709 113.9 49.8 -68.8 -23.2 32.0 -1.1 32.9 593 229 B N H X S+ 0 0 32 -4,-1.8 4,-2.8 -3,-0.3 3,-0.3 0.957 111.4 44.2 -77.4 -59.5 33.7 -0.7 29.5 594 230 B V H X S+ 0 0 22 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.845 110.9 59.8 -51.3 -36.1 30.5 0.1 27.5 595 231 B L H X S+ 0 0 3 -4,-2.3 4,-1.2 -5,-0.3 5,-0.2 0.940 110.3 37.7 -60.6 -48.8 29.6 2.4 30.4 596 232 B L H X S+ 0 0 11 -4,-1.2 4,-1.7 -3,-0.3 -2,-0.2 0.935 119.1 52.0 -68.7 -42.6 32.8 4.6 30.0 597 233 B A H < S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.936 113.0 36.0 -61.2 -60.2 32.7 4.4 26.2 598 234 B A H X S+ 0 0 26 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.804 117.5 51.8 -69.7 -30.8 29.1 5.4 25.3 599 235 B T H X S+ 0 0 5 -4,-1.2 4,-0.7 -5,-0.4 -1,-0.2 0.943 100.9 60.7 -70.3 -49.3 28.7 8.1 28.0 600 236 B E H X S+ 0 0 36 -4,-1.7 4,-0.6 -5,-0.2 3,-0.4 0.874 112.9 24.8 -53.0 -60.5 31.9 10.1 27.4 601 237 B P H >> S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 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