==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-APR-00 1EUP . COMPND 2 MOLECULE: CYTOCHROME P450ERYF; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR J.R.CUPP-VICKERY,R.ANDERSON,Z.HATZIRIS . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 1 0.2 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-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 . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 39.7 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 2 1 0 2 0 3 1 3 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 2 A A 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.5 -38.1 -4.4 -2.3 2 3 A T - 0 0 142 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.958 360.0-143.5 63.3 96.0 -35.6 -5.8 0.3 3 4 A V - 0 0 72 1,-0.1 28,-0.2 28,-0.1 -1,-0.1 -0.710 27.0-109.0 -87.3 133.7 -33.5 -3.1 1.9 4 5 A P - 0 0 33 0, 0.0 28,-2.1 0, 0.0 2,-0.6 -0.324 20.5-139.6 -65.2 145.7 -29.9 -4.1 2.6 5 6 A D B > -a 32 0A 64 26,-0.2 3,-2.2 1,-0.1 6,-0.2 -0.938 3.1-152.6-107.2 112.7 -28.8 -4.7 6.2 6 7 A L T 3 S+ 0 0 0 26,-2.4 27,-0.1 -2,-0.6 -1,-0.1 0.529 91.7 67.1 -64.3 -3.5 -25.3 -3.4 6.8 7 8 A E T 3 S+ 0 0 60 25,-0.2 -1,-0.3 3,-0.0 26,-0.1 0.608 80.1 103.8 -91.0 -12.3 -24.8 -6.0 9.5 8 9 A S S X S- 0 0 36 -3,-2.2 3,-1.8 1,-0.1 5,-0.1 -0.208 86.8-109.6 -68.8 161.3 -24.8 -8.9 7.1 9 10 A D G >> S+ 0 0 99 1,-0.3 4,-1.8 2,-0.2 3,-1.4 0.610 110.8 77.4 -65.9 -12.2 -21.8 -10.8 5.9 10 11 A S G 34 S+ 0 0 57 1,-0.3 8,-0.4 2,-0.2 -1,-0.3 0.735 95.2 48.4 -70.2 -22.7 -22.2 -9.2 2.5 11 12 A F G <4 S+ 0 0 3 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.150 122.0 33.8-101.7 17.4 -20.7 -6.1 3.9 12 13 A H T <4 S+ 0 0 21 -3,-1.4 2,-0.5 1,-0.2 -2,-0.2 0.385 108.3 64.9-145.9 -9.1 -17.8 -7.9 5.5 13 14 A V S < S- 0 0 88 -4,-1.8 -1,-0.2 1,-0.1 5,-0.1 -0.940 133.1 -24.6-125.9 107.3 -17.0 -10.8 3.2 14 15 A D S >> S+ 0 0 120 -2,-0.5 3,-2.2 -3,-0.1 4,-0.7 0.862 88.1 171.7 56.7 37.5 -15.7 -9.7 -0.3 15 16 A W H 3> + 0 0 15 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.695 61.3 66.9 -51.8 -30.6 -17.6 -6.5 0.7 16 17 A Y H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.713 95.5 57.6 -67.6 -20.5 -16.4 -4.5 -2.3 17 18 A S H <> S+ 0 0 60 -3,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.868 105.4 50.8 -74.3 -38.3 -18.3 -6.8 -4.7 18 19 A T H X S+ 0 0 24 -4,-0.7 4,-2.1 -8,-0.4 -2,-0.2 0.837 107.2 54.2 -66.8 -34.4 -21.5 -5.9 -2.8 19 20 A Y H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.920 107.1 49.7 -66.3 -44.3 -20.7 -2.2 -3.1 20 21 A A H X S+ 0 0 29 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.868 109.9 52.0 -62.0 -37.8 -20.4 -2.5 -6.9 21 22 A E H X S+ 0 0 124 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.959 113.8 42.7 -62.5 -52.8 -23.7 -4.3 -7.1 22 23 A L H X S+ 0 0 27 -4,-2.1 4,-3.5 1,-0.2 -2,-0.2 0.911 112.9 51.3 -60.4 -49.0 -25.5 -1.6 -5.1 23 24 A R H < S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.6 54.6 -58.5 -37.0 -23.8 1.4 -6.9 24 25 A E H < S+ 0 0 169 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.926 115.6 38.3 -63.8 -43.7 -24.8 -0.1 -10.2 25 26 A T H < S- 0 0 117 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.946 142.0 -16.1 -73.2 -50.0 -28.4 -0.3 -9.1 26 27 A A < - 0 0 25 -4,-3.5 -1,-0.2 -5,-0.1 16,-0.2 -0.737 47.8-152.3-163.8 109.0 -28.5 3.0 -7.2 27 28 A P S S+ 0 0 38 0, 0.0 15,-1.9 0, 0.0 16,-1.0 0.660 97.0 45.3 -53.8 -20.9 -25.5 5.2 -6.0 28 29 A V E S+ B 0 41A 6 13,-0.2 13,-0.2 273,-0.1 11,-0.0 -0.996 79.9 157.5-128.1 122.5 -27.8 6.4 -3.2 29 30 A T E - B 0 40A 25 11,-2.0 11,-3.3 -2,-0.4 2,-0.2 -0.999 41.2-109.0-150.8 151.3 -30.0 3.9 -1.4 30 31 A P E + B 0 39A 46 0, 0.0 9,-0.3 0, 0.0 2,-0.3 -0.541 42.6 168.6 -77.9 140.3 -31.9 3.2 1.8 31 32 A V E - B 0 38A 0 7,-3.4 7,-2.6 -2,-0.2 2,-0.4 -0.814 31.1-119.5-141.3 177.9 -30.4 0.7 4.2 32 33 A R E +aB 5 37A 87 -28,-2.1 -26,-2.4 -2,-0.3 2,-0.3 -0.956 32.4 166.5-124.4 143.0 -30.8 -0.6 7.7 33 34 A F E > - B 0 36A 16 3,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.883 67.0 -7.3-162.1 125.6 -28.1 -0.5 10.3 34 35 A L T 3 S- 0 0 31 -2,-0.3 3,-0.1 1,-0.3 143,-0.0 0.860 130.0 -55.1 56.0 34.8 -28.1 -0.9 14.1 35 36 A G T 3 S+ 0 0 50 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.502 118.1 104.4 78.5 5.2 -31.9 -1.1 13.9 36 37 A Q E < S-B 33 0A 44 -3,-2.0 -3,-2.3 34,-0.0 2,-0.3 -0.847 71.2-114.4-121.9 153.9 -32.3 2.3 12.1 37 38 A D E +B 32 0A 99 -2,-0.3 273,-0.5 -5,-0.2 2,-0.3 -0.681 44.4 159.7 -83.5 138.4 -33.0 3.3 8.6 38 39 A A E -B 31 0A 3 -7,-2.6 -7,-3.4 -2,-0.3 2,-0.4 -0.886 37.4-116.7-148.8 173.9 -30.3 5.2 6.7 39 40 A W E -Bc 30 311A 50 271,-1.8 273,-3.1 -9,-0.3 2,-0.4 -0.982 23.5-154.9-119.8 132.6 -29.1 6.1 3.2 40 41 A L E -Bc 29 312A 0 -11,-3.3 -11,-2.0 -2,-0.4 2,-0.6 -0.915 2.6-152.8-109.7 136.6 -25.8 4.8 1.9 41 42 A V E +Bc 28 313A 0 271,-2.3 273,-1.8 -2,-0.4 277,-0.3 -0.920 24.7 161.5-113.3 107.9 -23.9 6.6 -0.8 42 43 A T + 0 0 0 -15,-1.9 2,-0.2 -2,-0.6 -14,-0.1 0.512 45.7 96.0-100.9 -10.9 -21.6 4.3 -2.9 43 44 A G > - 0 0 0 -16,-1.0 4,-2.2 1,-0.1 275,-0.2 -0.605 69.1-137.0 -84.6 147.5 -21.1 6.6 -5.9 44 45 A Y H > S+ 0 0 10 -2,-0.2 4,-2.8 274,-0.2 5,-0.2 0.980 104.2 41.1 -62.6 -61.2 -18.0 8.8 -6.3 45 46 A D H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 116.9 50.8 -54.5 -42.4 -19.7 11.9 -7.6 46 47 A E H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 110.8 49.2 -64.6 -37.8 -22.5 11.4 -5.1 47 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 111.7 47.1 -68.4 -46.7 -20.0 11.0 -2.3 48 49 A K H X S+ 0 0 82 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.909 113.1 49.9 -61.1 -44.1 -18.1 14.1 -3.1 49 50 A A H >X S+ 0 0 50 -4,-2.4 4,-1.1 -5,-0.2 3,-0.6 0.947 111.1 48.7 -59.9 -48.6 -21.3 16.1 -3.5 50 51 A A H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 6,-0.2 0.931 110.5 49.4 -58.9 -48.4 -22.6 14.9 -0.1 51 52 A L H 3< S+ 0 0 10 -4,-2.4 296,-0.3 1,-0.3 -1,-0.2 0.712 112.8 49.7 -64.8 -21.5 -19.4 15.7 1.8 52 53 A S H << S+ 0 0 62 -4,-1.1 2,-0.8 -3,-0.6 -1,-0.3 0.632 90.7 91.2 -90.3 -18.4 -19.5 19.2 0.2 53 54 A D X< - 0 0 39 -4,-1.1 3,-1.7 -3,-0.9 -1,-0.1 -0.707 59.3-163.4 -84.6 109.6 -23.1 19.9 1.1 54 55 A L T 3 S+ 0 0 93 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.499 80.7 80.3 -72.3 -3.0 -23.2 21.6 4.5 55 56 A R T 3 S+ 0 0 92 1,-0.1 240,-2.4 -5,-0.1 2,-0.9 0.634 81.9 76.8 -73.1 -13.6 -27.0 20.8 4.9 56 57 A L E < S-D 294 0A 3 -3,-1.7 238,-0.2 -6,-0.2 -1,-0.1 -0.884 85.2-152.9 -99.3 100.1 -25.6 17.4 6.0 57 58 A S E -D 293 0A 4 236,-2.7 236,-2.1 -2,-0.9 -2,-0.1 -0.326 23.8-159.2 -73.3 159.2 -24.3 18.2 9.5 58 59 A S + 0 0 6 234,-0.2 -1,-0.1 -4,-0.1 233,-0.1 0.260 65.4 103.4-117.5 4.8 -21.5 16.4 11.4 59 60 A D > + 0 0 17 1,-0.1 3,-0.8 234,-0.1 33,-0.1 -0.808 41.3 177.9 -99.6 106.6 -22.8 17.5 14.8 60 61 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.587 76.6 70.5 -79.0 -14.0 -24.6 14.8 16.8 61 62 A K T 3 S+ 0 0 55 30,-0.3 2,-0.1 25,-0.2 31,-0.0 0.571 75.0 112.3 -79.2 -11.5 -25.2 17.1 19.8 62 63 A K < - 0 0 69 -3,-0.8 2,-0.4 1,-0.1 7,-0.3 -0.416 60.8-140.0 -71.0 138.0 -27.7 19.1 17.8 63 64 A K - 0 0 175 -2,-0.1 5,-0.1 5,-0.1 -2,-0.1 -0.839 18.0-173.5-102.0 131.3 -31.3 19.1 18.9 64 65 A Y B > -F 67 0B 45 3,-0.5 3,-2.3 -2,-0.4 2,-0.3 -0.943 40.9 -83.0-125.6 145.7 -34.2 18.9 16.4 65 66 A P T 3 S- 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.239 109.9 -17.9 -49.2 104.4 -38.0 19.2 17.0 66 67 A G T 3 S+ 0 0 93 -2,-0.3 2,-0.4 1,-0.2 -3,-0.0 0.798 110.2 122.8 65.8 31.8 -39.2 15.7 17.9 67 68 A V B < -F 64 0B 37 -3,-2.3 2,-0.6 2,-0.0 -3,-0.5 -0.956 51.2-153.6-126.1 141.6 -36.1 14.0 16.6 68 69 A E - 0 0 179 -2,-0.4 2,-0.3 -3,-0.1 -5,-0.1 -0.935 21.2-144.6-114.7 101.8 -33.6 11.8 18.4 69 70 A V + 0 0 12 -2,-0.6 2,-0.4 -7,-0.3 224,-0.0 -0.546 21.9 179.0 -70.8 125.3 -30.2 12.1 16.6 70 71 A E - 0 0 110 -2,-0.3 5,-0.1 5,-0.0 -2,-0.0 -0.877 12.7-169.5-133.2 100.2 -28.3 8.8 16.6 71 72 A F > - 0 0 19 -2,-0.4 3,-2.1 1,-0.1 222,-0.0 -0.785 27.6-131.7 -86.8 129.5 -24.9 8.5 14.9 72 73 A P G > S+ 0 0 7 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.842 100.6 71.2 -48.0 -39.5 -24.0 4.8 14.8 73 74 A A G 3 S+ 0 0 23 1,-0.3 102,-0.0 -3,-0.0 317,-0.0 0.699 92.1 60.7 -53.0 -20.8 -20.5 5.5 16.2 74 75 A Y G X + 0 0 41 -3,-2.1 3,-1.8 2,-0.1 2,-0.3 0.042 68.9 153.2-101.1 29.3 -22.1 6.2 19.6 75 76 A L T < S- 0 0 41 -3,-1.6 102,-0.1 1,-0.3 -41,-0.0 -0.384 77.5 -2.4 -62.4 114.7 -23.7 2.8 20.2 76 77 A G T 3 S+ 0 0 26 -2,-0.3 -1,-0.3 1,-0.3 109,-0.1 0.458 93.0 141.2 84.6 0.1 -24.0 2.4 24.0 77 78 A F < - 0 0 23 -3,-1.8 -1,-0.3 111,-0.1 108,-0.1 -0.600 52.8-126.1 -78.3 129.8 -22.2 5.6 24.9 78 79 A P >> - 0 0 25 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.467 29.0-110.2 -69.0 153.1 -23.8 7.3 28.0 79 80 A E H 3> S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.866 117.7 52.3 -55.5 -40.4 -24.7 11.0 27.1 80 81 A D H 3> S+ 0 0 92 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.850 113.8 45.3 -64.4 -32.0 -22.0 12.5 29.3 81 82 A V H X> S+ 0 0 1 -3,-0.7 4,-1.4 2,-0.2 3,-0.6 0.876 108.2 57.6 -75.5 -40.2 -19.5 10.3 27.6 82 83 A R H 3X S+ 0 0 40 -4,-2.6 4,-2.0 1,-0.2 3,-0.4 0.908 103.4 52.2 -56.7 -47.2 -20.9 11.1 24.2 83 84 A N H 3< S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.740 105.1 55.7 -65.4 -23.3 -20.4 14.8 24.6 84 85 A Y H << S+ 0 0 59 -3,-0.6 3,-0.4 -4,-0.6 -1,-0.2 0.827 113.3 41.0 -76.4 -32.3 -16.7 14.3 25.5 85 86 A F H < S+ 0 0 21 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.752 118.0 50.9 -82.3 -25.6 -16.2 12.4 22.3 86 87 A A S < S+ 0 0 0 -4,-2.0 -25,-0.2 -5,-0.2 -1,-0.2 -0.006 81.6 85.7-106.2 30.2 -18.3 14.9 20.3 87 88 A T S S+ 0 0 29 -3,-0.4 146,-0.3 141,-0.2 2,-0.3 -0.442 75.3 81.0-125.4 60.2 -17.0 18.4 21.1 88 89 A N S > S- 0 0 5 144,-0.2 3,-2.0 -3,-0.1 13,-0.1 -0.879 95.7 -71.7-148.0 178.9 -14.2 18.8 18.6 89 90 A M G > S+ 0 0 16 1,-0.3 3,-1.8 -2,-0.3 12,-0.1 0.877 126.0 49.1 -41.2 -61.1 -13.5 19.6 14.9 90 91 A G G 3 S+ 0 0 45 1,-0.3 -1,-0.3 7,-0.0 258,-0.1 0.545 114.1 47.4 -62.7 -9.4 -14.9 16.4 13.5 91 92 A T G < S+ 0 0 10 -3,-2.0 -30,-0.3 -32,-0.1 2,-0.3 0.071 101.9 77.9-120.4 24.4 -18.1 16.8 15.5 92 93 A S < - 0 0 2 -3,-1.8 -5,-0.0 -33,-0.1 -33,-0.0 -0.955 59.9-148.6-135.2 150.1 -18.8 20.5 14.8 93 94 A D >> - 0 0 16 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.721 50.7 -45.0-109.3 160.5 -20.3 22.5 12.0 94 95 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.395 119.6 30.8 -60.1 151.4 -19.4 26.1 11.1 95 96 A P T 3> S+ 0 0 109 0, 0.0 4,-1.6 0, 0.0 5,-0.2 -0.998 129.5 39.8 -82.3 -11.4 -18.9 28.5 12.8 96 97 A T H <> S+ 0 0 64 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.934 116.2 52.1 -62.4 -45.6 -17.8 26.4 15.8 97 98 A H H X S+ 0 0 8 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.938 105.0 58.6 -54.1 -49.3 -15.8 24.0 13.5 98 99 A T H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 111.1 37.9 -49.3 -50.4 -14.1 27.0 12.0 99 100 A R H X S+ 0 0 57 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.862 114.4 54.3 -75.1 -33.5 -12.6 28.4 15.2 100 101 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 111.4 45.4 -65.7 -41.0 -11.8 24.9 16.6 101 102 A R H X S+ 0 0 59 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.859 112.7 52.3 -70.8 -31.6 -9.8 24.0 13.5 102 103 A K H X S+ 0 0 112 -4,-1.5 4,-0.8 -5,-0.3 -2,-0.2 0.878 109.6 47.2 -69.8 -41.9 -8.1 27.4 13.5 103 104 A L H < S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 3,-0.3 0.893 116.1 45.0 -68.9 -37.4 -6.9 27.2 17.1 104 105 A V H >X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.2 3,-1.7 0.925 106.9 57.9 -73.0 -42.6 -5.6 23.6 16.6 105 106 A S H 3< S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.703 94.5 67.8 -59.9 -22.4 -3.9 24.4 13.3 106 107 A Q T 3< S+ 0 0 80 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.800 119.1 20.1 -66.8 -30.2 -1.8 27.1 15.0 107 108 A E T <4 S+ 0 0 52 -3,-1.7 2,-1.8 -4,-0.4 -2,-0.2 0.797 113.7 68.1-105.3 -46.7 -0.1 24.3 17.0 108 109 A F S < S+ 0 0 29 -4,-3.3 2,-0.2 -5,-0.1 -1,-0.2 -0.593 79.3 152.0 -78.6 86.2 -0.6 21.1 15.0 109 110 A T > - 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0 0 34 -3,-0.6 -1,-0.3 -4,-0.5 3,-0.1 -0.797 22.8 -88.7 97.1-139.2 14.7 -10.6 15.5 133 134 A D S S+ 0 0 118 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.195 95.9 55.6-160.3 14.3 15.5 -11.8 11.9 134 135 A S S S+ 0 0 73 -3,-0.3 -1,-0.3 267,-0.1 2,-0.1 -0.995 81.4 19.6-155.3 148.3 14.0 -15.2 11.7 135 136 A G S S- 0 0 23 -2,-0.3 266,-2.8 -3,-0.1 2,-0.4 -0.415 87.5 -42.8 94.9-170.2 10.7 -17.0 12.1 136 137 A V E +G 400 0C 81 264,-0.2 2,-0.3 -2,-0.1 264,-0.2 -0.863 54.4 170.6-103.7 135.0 7.0 -16.0 12.2 137 138 A V E -G 399 0C 19 262,-1.8 262,-2.3 -2,-0.4 2,-1.1 -0.973 43.0-110.6-141.4 149.7 5.8 -12.9 14.1 138 139 A D E > -G 398 0C 35 -2,-0.3 4,-2.3 260,-0.2 5,-0.2 -0.772 29.9-161.5 -81.4 103.5 2.5 -11.0 14.2 139 140 A I H >>S+ 0 0 0 258,-2.5 5,-2.5 -2,-1.1 4,-0.6 0.693 86.4 55.9 -61.3 -19.8 3.7 -7.9 12.3 140 141 A V H 4>S+ 0 0 8 257,-0.3 5,-2.7 3,-0.2 3,-0.5 0.958 111.5 38.9 -77.2 -51.8 0.7 -6.1 13.7 141 142 A D H 45S+ 0 0 102 1,-0.2 -2,-0.2 4,-0.2 -1,-0.1 0.815 125.7 39.2 -68.1 -30.9 1.4 -6.7 17.4 142 143 A R H <5S- 0 0 87 -4,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.503 138.5 -7.3-100.0 -2.0 5.1 -6.3 17.0 143 144 A F T X5S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.5 -3,-0.2 0.375 120.1 55.1-151.3 -71.2 5.1 -3.3 14.6 144 145 A A T 4 S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.818 106.0 65.7 -65.1 -28.2 3.1 -0.1 18.7 147 148 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.969 105.1 40.1 -57.5 -59.0 4.7 2.3 16.1 148 149 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.854 115.3 54.2 -60.5 -35.9 1.7 4.7 15.7 149 150 A I H X S+ 0 0 10 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.948 107.1 48.5 -64.9 -47.0 1.0 4.6 19.5 150 151 A K H X S+ 0 0 68 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.900 112.1 50.8 -60.5 -40.1 4.5 5.6 20.5 151 152 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.912 112.2 45.0 -66.1 -41.0 4.5 8.5 18.0 152 153 A I H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.850 111.6 52.6 -74.1 -30.9 1.2 9.8 19.3 153 154 A C H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-1.6 0.921 110.2 47.9 -69.7 -41.4 2.1 9.5 22.9 154 155 A E H <5S+ 0 0 62 -4,-2.0 3,-0.2 -5,-0.2 -2,-0.2 0.934 111.9 50.8 -63.8 -41.9 5.3 11.4 22.4 155 156 A L H <5S+ 0 0 11 -4,-2.0 55,-2.4 1,-0.2 56,-0.4 0.839 120.6 34.1 -64.8 -33.9 3.4 14.1 20.5 156 157 A L H <5S- 0 0 1 -4,-1.8 -1,-0.2 53,-0.2 -2,-0.2 0.517 110.8-114.1-100.0 -6.7 0.8 14.5 23.3 157 158 A G T <5 + 0 0 11 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.847 62.4 150.0 77.6 31.9 3.0 13.8 26.2 158 159 A V < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.735 29.9-149.5 -93.9 147.9 1.4 10.6 27.3 159 160 A D > - 0 0 93 -2,-0.3 4,-1.4 2,-0.1 3,-0.1 -0.670 23.5 -75.5-126.7 177.0 3.6 8.0 29.0 160 161 A E T 4 S+ 0 0 169 1,-0.2 2,-2.6 -2,-0.2 3,-0.5 0.750 115.3 50.7 -22.2 -75.9 4.6 4.4 29.9 161 162 A A T 4 S+ 0 0 101 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 -0.368 116.3 42.7 -75.9 63.9 1.9 3.4 32.4 162 163 A A T >> S+ 0 0 11 -2,-2.6 3,-1.4 1,-0.4 4,-1.1 0.089 90.3 91.2-167.8 -47.6 -0.9 4.5 30.2 163 164 A R T 3< S+ 0 0 67 -4,-1.4 2,-0.4 -3,-0.5 -1,-0.4 -0.153 89.6 29.6 -58.2 156.7 0.0 3.3 26.8 164 165 A G T 3> S+ 0 0 45 1,-0.1 4,-0.8 -3,-0.1 -1,-0.2 0.045 106.2 79.3 79.2 -32.8 -1.3 -0.2 26.0 165 166 A A H X> S+ 0 0 18 -3,-1.4 4,-1.2 -2,-0.4 3,-1.1 0.984 93.3 45.7 -69.7 -56.4 -4.3 0.5 28.2 166 167 A F H 3X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.581 99.6 75.9 -63.7 -6.4 -6.1 2.6 25.6 167 168 A G H 3> S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 99.1 39.8 -70.3 -46.0 -5.2 -0.1 23.1 168 169 A R H < S+ 0 0 43 -4,-1.7 3,-1.2 -3,-0.4 -2,-0.2 0.904 111.9 51.3 -75.0 -43.0 -13.8 -2.4 21.8 173 174 A I H 3< S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.749 94.7 74.3 -67.6 -23.8 -15.0 1.0 20.6 174 175 A L T 3< S+ 0 0 15 -4,-1.6 2,-0.4 -5,-0.2 217,-0.3 0.690 96.0 53.2 -63.9 -19.0 -13.9 0.2 17.0 175 176 A V < - 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