==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-OCT-07 2ZAX . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.SAKURAI,H.SHIMADA,K.HARADA,T.HAYASHI,T.TSUKIHARA . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16844.0 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 . 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 . 13 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.3 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 2 1 2 0 0 2 0 3 1 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 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 0 195 0, 0.0 2,-0.6 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0-174.6 -1.0 9.2 2.0 2 11 A L - 0 0 68 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.916 360.0-134.3-110.6 121.9 -3.9 7.0 0.9 3 12 A A - 0 0 24 45,-3.0 49,-0.0 -2,-0.6 46,-0.0 -0.414 38.6 -88.3 -70.4 145.1 -4.8 3.9 2.8 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.241 50.5-103.9 -52.7 137.8 -5.5 0.7 0.8 5 14 A L - 0 0 60 -3,-0.1 6,-0.1 1,-0.1 43,-0.0 -0.497 36.9-117.6 -66.4 121.0 -9.2 0.5 -0.1 6 15 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.322 24.5-113.0 -59.5 148.0 -11.0 -2.1 2.1 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.717 113.6 52.7 -53.4 -29.1 -12.5 -5.1 0.2 8 17 A H T 3 S+ 0 0 47 2,-0.1 294,-0.2 294,-0.0 -3,-0.0 0.455 88.5 92.6 -89.4 -3.9 -16.1 -4.0 0.9 9 18 A V S < S- 0 0 8 -3,-2.0 2,-0.2 292,-0.1 5,-0.1 -0.817 70.3-138.0 -97.4 120.9 -15.8 -0.4 -0.3 10 19 A P > - 0 0 48 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.496 15.0-125.1 -79.8 147.5 -16.7 0.2 -4.0 11 20 A E G > S+ 0 0 126 1,-0.3 3,-1.8 -2,-0.2 35,-0.1 0.792 105.2 66.0 -54.1 -34.6 -14.6 2.5 -6.1 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.618 99.1 52.5 -72.2 -10.2 -17.6 4.7 -7.1 13 22 A L G < S+ 0 0 15 -3,-2.0 33,-3.0 32,-0.1 2,-0.5 0.381 82.3 116.0 -99.9 1.6 -18.0 5.9 -3.5 14 23 A V B < +a 46 0A 25 -3,-1.8 2,-0.3 -4,-0.2 33,-0.2 -0.615 27.3 158.5 -80.0 122.0 -14.3 6.9 -3.2 15 24 A F - 0 0 61 31,-2.8 2,-2.4 -2,-0.5 30,-0.1 -0.892 33.9-144.3-141.6 106.0 -13.8 10.7 -2.6 16 25 A D + 0 0 58 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.336 32.4 167.4 -81.6 61.4 -10.4 11.3 -1.0 17 26 A F - 0 0 7 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.550 25.4-150.0 -72.7 134.8 -11.3 14.3 1.2 18 27 A D > - 0 0 46 -2,-0.3 3,-1.6 3,-0.1 -2,-0.0 -0.897 5.7-164.8-111.5 105.3 -8.7 15.2 3.8 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.642 89.9 49.7 -65.6 -14.4 -10.3 16.6 6.9 20 29 A Y T 3 S+ 0 0 48 1,-0.2 364,-0.4 365,-0.1 -1,-0.3 0.501 131.4 12.7-100.1 -7.9 -7.0 18.0 8.1 21 30 A N S < S- 0 0 103 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.320 79.9-165.7-163.6 66.0 -6.0 19.7 4.9 22 31 A P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 11,-0.1 -0.332 26.4-123.7 -68.3 146.7 -8.9 19.9 2.4 23 32 A S T 3 S+ 0 0 120 1,-0.3 3,-0.4 9,-0.1 9,-0.1 0.810 108.4 48.9 -61.0 -33.2 -8.1 20.7 -1.1 24 33 A N T > S+ 0 0 60 8,-0.2 3,-2.5 1,-0.2 4,-0.3 0.213 73.3 124.9 -90.7 15.9 -10.3 23.8 -1.4 25 34 A L G X + 0 0 20 -3,-1.9 3,-2.0 1,-0.3 357,-0.4 0.780 62.1 65.1 -49.9 -34.6 -9.1 25.3 1.9 26 35 A S G 3 S+ 0 0 93 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.724 94.8 61.1 -63.6 -23.1 -8.0 28.6 0.3 27 36 A A G < S- 0 0 49 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.567 130.6 -76.5 -73.5 -12.6 -11.8 29.3 -0.5 28 37 A G <> - 0 0 9 -3,-2.0 4,-2.3 -4,-0.3 -1,-0.3 -0.160 42.8 -98.9 115.8 142.9 -12.6 29.2 3.2 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 122.8 50.1 -67.1 -41.9 -12.9 26.1 5.4 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 113.1 48.8 -58.6 -42.1 -16.7 25.8 5.2 31 40 A E H 4 S+ 0 0 57 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.858 108.6 53.9 -59.5 -40.7 -16.4 26.2 1.4 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -8,-0.2 0.887 112.0 42.9 -64.4 -40.6 -13.7 23.5 1.4 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.844 103.2 68.1 -73.6 -31.0 -16.0 21.1 3.3 34 43 A A G >< S+ 0 0 15 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.604 76.4 82.0 -67.1 -11.4 -19.0 22.0 1.1 35 44 A V G X S+ 0 0 30 -3,-0.7 3,-1.4 -4,-0.5 -1,-0.3 0.791 82.0 67.0 -59.7 -23.6 -17.3 20.4 -1.9 36 45 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.561 96.4 55.4 -71.0 -8.9 -18.8 17.2 -0.4 37 46 A Q G < S+ 0 0 18 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.076 74.6 126.0-114.0 17.5 -22.2 18.6 -1.2 38 47 A E S X S- 0 0 116 -3,-1.4 3,-1.9 1,-0.1 -3,-0.0 -0.478 76.4-105.5 -69.4 152.6 -21.7 19.2 -4.9 39 48 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.754 116.6 53.5 -54.5 -34.0 -24.4 17.5 -7.0 40 49 A N T 3 S+ 0 0 127 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.490 88.8 94.8 -80.2 -6.8 -22.2 14.7 -8.3 41 50 A V S < S- 0 0 8 -3,-1.9 -28,-0.1 -6,-0.1 4,-0.1 -0.784 76.6-124.4 -94.4 125.4 -21.1 13.6 -4.8 42 51 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.107 24.0-109.6 -60.0 164.2 -23.1 10.7 -3.1 43 52 A D S S+ 0 0 47 1,-0.2 14,-3.1 256,-0.1 15,-0.6 0.742 109.4 33.5 -65.9 -24.5 -24.7 11.2 0.3 44 53 A L E S+ B 0 56A 3 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.968 76.2 172.8-140.1 117.6 -22.1 8.8 1.8 45 54 A V E - B 0 55A 1 10,-2.3 10,-2.5 -2,-0.4 2,-0.5 -0.785 26.2-130.2-121.6 163.0 -18.5 8.5 0.5 46 55 A W E -aB 14 54A 9 -33,-3.0 -31,-2.8 -2,-0.3 2,-0.4 -0.967 17.9-161.5-111.9 129.1 -15.3 6.8 1.5 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.2 -2,-0.5 -31,-0.2 -0.918 14.5-154.5-106.0 141.1 -12.1 8.7 1.8 48 57 A R > + 0 0 69 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.472 66.6 105.4 -86.9 -1.9 -8.7 6.9 1.8 49 58 A C G > S+ 0 0 11 -32,-0.3 3,-2.3 1,-0.2 -47,-0.1 -0.351 76.7 17.3 -75.0 157.4 -7.2 9.8 3.7 50 59 A N G 3 S- 0 0 43 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.801 141.9 -45.0 53.2 36.8 -6.3 9.7 7.3 51 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.208 105.6 -72.6 95.5 -13.0 -6.4 5.9 7.5 52 61 A G < + 0 0 3 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.492 65.0 161.8 96.1 123.8 -9.6 5.5 5.6 53 62 A H E -B 47 0A 0 -6,-2.2 -6,-2.8 254,-0.1 256,-0.2 -0.985 36.7 -99.7-164.4 157.7 -13.2 6.3 6.7 54 63 A W E -Bc 46 309A 0 254,-2.9 256,-3.0 -2,-0.3 2,-0.4 -0.446 28.5-158.4 -73.8 156.5 -16.8 7.1 5.7 55 64 A I E -Bc 45 310A 0 -10,-2.5 -10,-2.3 254,-0.2 2,-0.5 -0.956 8.8-148.9-135.1 123.8 -18.1 10.6 5.5 56 65 A A E -B 44 0A 0 254,-2.2 -12,-0.2 -2,-0.4 259,-0.1 -0.790 15.2-172.5 -83.8 129.2 -21.8 11.4 5.6 57 66 A T + 0 0 0 -14,-3.1 2,-0.4 -2,-0.5 -13,-0.1 0.525 54.9 65.8-107.2 -5.0 -22.2 14.5 3.5 58 67 A R S > S- 0 0 2 -15,-0.6 4,-2.5 1,-0.1 3,-0.5 -0.922 77.1-124.0-125.7 145.0 -25.8 15.5 4.1 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-3.0 256,-0.3 5,-0.3 0.839 108.5 59.5 -49.0 -42.6 -27.8 16.7 7.1 60 69 A Q H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 112.7 37.5 -56.6 -49.3 -30.4 13.9 6.8 61 70 A L H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.870 115.1 53.9 -69.4 -41.4 -27.7 11.2 7.2 62 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.947 112.7 44.2 -59.7 -48.8 -25.6 13.1 9.8 63 72 A R H X S+ 0 0 55 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.930 113.0 50.9 -62.3 -46.1 -28.7 13.5 12.0 64 73 A E H X S+ 0 0 74 -4,-2.1 4,-1.7 -5,-0.3 3,-0.4 0.935 111.4 47.3 -57.2 -47.7 -29.8 9.9 11.6 65 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.890 110.0 52.6 -66.3 -38.7 -26.4 8.5 12.5 66 75 A Y H < S+ 0 0 6 -4,-2.2 279,-0.5 1,-0.2 -1,-0.2 0.783 110.9 48.8 -66.0 -26.0 -26.1 10.8 15.6 67 76 A E H < S+ 0 0 112 -4,-1.6 2,-1.4 -3,-0.4 -1,-0.2 0.819 101.0 68.6 -79.0 -33.7 -29.5 9.6 16.8 68 77 A D X + 0 0 38 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 -0.595 50.9 158.9 -94.6 78.1 -28.6 5.9 16.3 69 78 A Y T 4 + 0 0 68 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.636 67.6 72.6 -72.9 -14.7 -26.0 5.2 19.0 70 79 A R T 4 S+ 0 0 168 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.961 115.5 20.2 -58.4 -52.0 -26.8 1.5 18.7 71 80 A H T 4 S+ 0 0 51 -3,-0.4 222,-2.3 1,-0.2 2,-0.7 0.768 127.6 51.6 -88.1 -32.7 -25.0 1.3 15.3 72 81 A F E < S-D 292 0A 1 -4,-2.3 2,-0.2 -7,-0.3 220,-0.2 -0.865 78.0-165.5-116.6 93.0 -22.9 4.5 15.5 73 82 A S E > -D 291 0A 3 218,-2.9 218,-2.2 -2,-0.7 3,-0.6 -0.588 25.5-147.6 -88.8 146.4 -20.9 4.4 18.8 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.334 77.4 100.4 -84.4 2.6 -19.0 7.3 20.4 75 84 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.843 98.1 23.6 -59.4 -33.5 -16.4 4.9 21.8 76 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.741 79.0 155.7-133.0 82.2 -14.1 5.9 19.0 77 86 A P + 0 0 2 0, 0.0 212,-2.2 0, 0.0 2,-0.4 0.470 46.5 71.8 -97.5 -4.4 -15.2 9.4 17.8 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.880 75.9-108.5-114.5 148.8 -12.2 10.9 16.2 79 88 A I S S+ 0 0 4 -2,-0.4 2,-0.2 4,-0.1 307,-0.1 -0.914 91.0 56.7-101.2 139.1 -10.3 10.3 13.0 80 89 A P S >> S- 0 0 40 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.516 87.8-125.2 -76.5 172.3 -7.6 9.0 12.6 81 90 A R H 3> S+ 0 0 79 -31,-0.4 4,-3.1 1,-0.3 5,-0.2 0.855 108.8 57.8 -54.5 -40.9 -8.2 5.7 14.4 82 91 A E H 3> S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.885 109.8 45.8 -58.3 -39.5 -5.3 6.1 16.7 83 92 A A H <> S+ 0 0 5 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.931 112.9 48.9 -68.3 -47.8 -6.8 9.4 18.0 84 93 A G H < S+ 0 0 0 -4,-2.4 -2,-0.2 -6,-0.6 -1,-0.2 0.874 112.7 49.1 -61.6 -37.4 -10.3 7.9 18.3 85 94 A E H < S+ 0 0 129 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.929 113.8 44.2 -66.6 -45.3 -8.9 4.9 20.2 86 95 A A H < S+ 0 0 20 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.784 90.4 104.1 -68.2 -27.3 -6.9 7.0 22.6 87 96 A Y < + 0 0 12 -4,-2.1 -9,-0.1 1,-0.1 98,-0.0 -0.411 33.7 151.6 -62.6 120.1 -9.9 9.4 23.0 88 97 A D + 0 0 36 -2,-0.3 -1,-0.1 143,-0.1 143,-0.1 0.136 15.3 144.6-139.1 20.4 -11.4 8.7 26.4 89 98 A F > - 0 0 3 145,-0.1 4,-2.7 1,-0.1 143,-0.2 -0.220 50.5 -94.3 -63.7 152.4 -13.0 11.9 27.5 90 99 A I T 4 S+ 0 0 1 141,-1.5 145,-0.2 1,-0.2 -1,-0.1 -0.964 97.8 5.9-116.6 133.9 -16.3 11.8 29.5 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.990 124.6 60.5 -88.1 -2.5 -19.1 12.0 28.5 92 101 A T T 34 S+ 0 0 24 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.774 99.5 53.8 -66.0 -29.6 -18.1 12.0 24.9 93 102 A S T 3< S+ 0 0 13 -4,-2.7 2,-0.4 -18,-0.1 -1,-0.3 0.381 100.6 81.0 -83.3 4.0 -16.4 8.6 24.6 94 103 A M < - 0 0 9 -3,-1.9 -6,-0.0 -5,-0.1 -5,-0.0 -0.879 65.1-148.4-112.2 146.2 -19.5 6.9 26.1 95 104 A D > - 0 0 37 -2,-0.4 4,-1.6 1,-0.1 3,-0.4 -0.694 44.1 -60.0 -95.3 158.0 -22.8 5.8 24.6 96 105 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.451 113.3 41.8 -57.2 150.2 -26.1 5.7 26.5 97 106 A P T >> S+ 0 0 115 0, 0.0 3,-1.1 0, 0.0 4,-0.5 -0.933 126.7 33.6 -79.0 -26.0 -26.9 4.3 28.9 98 107 A E T 34 S+ 0 0 107 -3,-0.4 4,-0.4 1,-0.2 3,-0.3 0.756 111.8 63.6 -65.2 -25.1 -23.7 4.9 30.8 99 108 A Q T >X S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 4,-0.7 0.859 88.2 69.2 -60.8 -38.9 -23.1 8.3 29.3 100 109 A R H X> S+ 0 0 133 -3,-1.1 3,-1.2 1,-0.3 4,-0.8 0.826 88.3 59.2 -61.2 -41.8 -26.1 10.1 30.7 101 110 A Q H 3X S+ 0 0 41 -4,-0.5 4,-0.7 -3,-0.3 119,-0.4 0.789 102.4 55.7 -60.1 -27.4 -25.2 10.2 34.4 102 111 A F H <> S+ 0 0 1 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.3 0.743 92.8 70.2 -79.1 -21.6 -22.1 12.2 33.6 103 112 A R H X S+ 0 0 2 -4,-0.7 3,-0.8 2,-0.2 4,-0.5 0.931 110.8 49.9 -64.6 -44.6 -22.3 16.8 36.6 106 115 A A H >X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.3 3,-1.5 0.897 105.8 59.1 -61.4 -38.2 -20.8 18.6 33.6 107 116 A N H 3X S+ 0 0 62 -4,-2.7 4,-1.6 1,-0.3 7,-0.4 0.793 95.5 63.1 -58.3 -29.5 -23.9 20.8 33.7 108 117 A Q H << S+ 0 0 117 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.702 113.1 34.5 -67.8 -19.5 -23.1 21.9 37.2 109 118 A V H << S+ 0 0 1 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.712 135.4 16.2-112.4 -23.1 -19.9 23.5 35.9 110 119 A V H < S+ 0 0 10 -4,-1.9 243,-0.5 100,-0.1 -3,-0.2 0.427 98.8 108.6-126.4 0.6 -20.6 24.8 32.5 111 120 A G S >X S- 0 0 0 -4,-1.6 4,-1.7 -5,-0.4 3,-0.9 0.035 86.8 -80.9 -75.5-179.3 -24.5 24.9 32.4 112 121 A M H 3> S+ 0 0 80 1,-0.3 4,-1.8 2,-0.2 -4,-0.1 0.859 124.6 57.7 -54.5 -46.9 -26.9 27.8 32.5 113 122 A P H 3> S+ 0 0 95 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.873 109.4 47.6 -52.9 -36.3 -26.9 28.3 36.2 114 123 A V H <> S+ 0 0 9 -3,-0.9 4,-1.5 -7,-0.4 -2,-0.2 0.847 102.4 60.0 -73.7 -37.8 -23.1 28.9 36.0 115 124 A V H X S+ 0 0 1 -4,-1.7 4,-1.4 1,-0.2 3,-0.3 0.907 103.1 57.9 -51.8 -37.7 -23.3 31.3 33.1 116 125 A D H < S+ 0 0 104 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.903 104.7 45.9 -61.0 -44.6 -25.4 33.3 35.6 117 126 A K H < S+ 0 0 138 -4,-1.0 -1,-0.2 1,-0.2 4,-0.2 0.734 119.7 43.8 -72.5 -18.3 -22.6 33.5 38.2 118 127 A L H X S+ 0 0 2 -4,-1.5 4,-2.8 -3,-0.3 3,-0.4 0.576 83.6 99.5 -95.1 -15.8 -20.2 34.5 35.3 119 128 A E H X S+ 0 0 58 -4,-1.4 4,-2.4 -3,-0.3 5,-0.2 0.854 86.2 42.9 -45.1 -53.2 -22.5 36.9 33.5 120 129 A N H > S+ 0 0 118 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.895 114.9 49.0 -63.8 -40.7 -20.9 40.1 34.9 121 130 A R H > S+ 0 0 110 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.872 110.4 51.5 -69.2 -35.4 -17.3 38.9 34.6 122 131 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.961 113.6 44.8 -61.3 -51.3 -18.0 37.8 30.9 123 132 A Q H X S+ 0 0 68 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.941 113.4 50.5 -58.5 -49.3 -19.4 41.3 30.2 124 133 A E H X S+ 0 0 119 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.891 111.1 47.1 -59.9 -42.3 -16.5 43.1 32.0 125 134 A L H X S+ 0 0 36 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.898 111.0 51.1 -69.0 -41.2 -13.7 41.2 30.3 126 135 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.950 113.4 45.8 -59.1 -48.7 -15.2 41.7 26.8 127 136 A C H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.921 114.0 48.4 -62.8 -43.6 -15.6 45.4 27.4 128 137 A S H X S+ 0 0 78 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.925 113.0 46.5 -63.7 -47.0 -12.0 45.7 28.9 129 138 A L H X S+ 0 0 22 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.927 115.6 45.7 -61.7 -42.0 -10.4 43.8 26.0 130 139 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.919 111.1 51.6 -71.9 -43.0 -12.2 45.8 23.3 131 140 A E H < S+ 0 0 61 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.878 107.2 55.1 -60.3 -35.9 -11.6 49.2 24.9 132 141 A S H < S+ 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.891 115.0 38.6 -63.5 -37.6 -7.9 48.3 25.1 133 142 A L H >X>S+ 0 0 12 -4,-1.5 3,-2.0 -3,-0.2 4,-0.6 0.829 97.7 83.2 -77.7 -34.1 -7.8 47.6 21.4 134 143 A R G ><5S+ 0 0 35 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.812 90.3 44.4 -47.6 -51.9 -10.1 50.4 20.3 135 144 A P G 345S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.683 101.1 71.6 -71.7 -12.1 -7.7 53.4 20.2 136 145 A Q G <45S- 0 0 104 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.742 88.9-142.5 -71.7 -27.8 -5.0 51.3 18.4 137 146 A G T <<5S+ 0 0 9 -3,-1.0 260,-2.2 -4,-0.6 2,-0.3 0.631 74.4 51.2 70.5 14.3 -6.9 51.2 15.1 138 147 A Q E < +F 396 0B 119 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.967 56.4 173.2-167.0 158.0 -5.7 47.6 14.5 139 148 A C E -F 395 0B 4 256,-1.8 256,-2.6 -2,-0.3 2,-0.8 -0.966 39.5-121.0-161.1 162.5 -5.5 44.2 16.1 140 149 A N E > -F 394 0B 79 -2,-0.3 4,-2.7 254,-0.2 3,-0.4 -0.935 37.1-161.1 -98.8 94.8 -4.5 40.7 15.5 141 150 A F H >>S+ 0 0 0 252,-2.6 5,-2.5 -2,-0.8 4,-1.8 0.832 79.2 56.6 -59.7 -35.8 -8.0 39.4 16.4 142 151 A T H 4>S+ 0 0 14 1,-0.2 5,-2.1 3,-0.2 -1,-0.2 0.941 121.0 27.3 -60.6 -47.9 -7.1 35.8 17.0 143 152 A E H 45S+ 0 0 117 -3,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.770 123.5 50.5 -83.3 -28.4 -4.5 36.5 19.6 144 153 A D H <5S- 0 0 41 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.669 134.6 -12.9 -89.0 -18.7 -5.9 39.8 20.9 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -3,-0.2 0.482 121.6 63.7-145.0 -52.3 -9.5 38.8 21.5 146 155 A A T 4 S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.822 108.4 58.5 -63.2 -29.8 -8.0 35.6 25.6 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 5,-0.2 0.992 117.8 26.3 -65.4 -61.4 -11.7 36.3 26.0 150 159 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.893 123.5 53.7 -68.9 -34.5 -13.1 32.8 26.1 151 160 A I H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.938 108.3 47.0 -68.2 -43.6 -9.9 31.3 27.5 152 161 A R H X S+ 0 0 84 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.885 111.8 52.4 -67.0 -33.5 -9.5 33.6 30.4 153 162 A I H X S+ 0 0 4 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.945 111.8 46.2 -62.7 -45.2 -13.2 33.1 31.3 154 163 A F H X S+ 0 0 7 -4,-2.5 4,-2.7 86,-0.2 -2,-0.2 0.920 110.8 51.3 -63.1 -42.9 -12.6 29.3 31.2 155 164 A M H X>S+ 0 0 1 -4,-2.9 5,-2.6 2,-0.2 4,-0.6 0.890 111.2 49.8 -64.4 -35.7 -9.4 29.6 33.3 156 165 A L H ><5S+ 0 0 79 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.955 111.9 47.0 -61.1 -51.6 -11.4 31.7 35.9 157 166 A L H 3<5S+ 0 0 19 -4,-2.7 53,-2.8 1,-0.3 -2,-0.2 0.883 117.0 44.1 -60.3 -37.2 -14.2 29.1 36.0 158 167 A A H 3<5S- 0 0 1 -4,-2.7 53,-0.3 51,-0.2 -1,-0.3 0.479 107.5-123.7 -87.1 -4.3 -11.6 26.3 36.3 159 168 A G T <<5 + 0 0 33 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.878 62.3 143.6 62.0 36.6 -9.4 28.0 38.9 160 169 A L < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.891 56.0-103.4-110.2 142.4 -6.3 27.7 36.7 161 170 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.362 19.9-133.5 -66.1 136.2 -3.6 30.3 36.4 162 171 A E G > S+ 0 0 103 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.792 103.1 68.5 -57.6 -28.2 -3.6 32.4 33.2 163 172 A E G 3 S+ 0 0 166 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.681 91.0 62.7 -69.7 -10.2 0.2 31.8 32.8 164 173 A D G <> S+ 0 0 44 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.534 78.1 93.2 -85.4 -7.4 -0.6 28.1 32.0 165 174 A I H <> S+ 0 0 28 -3,-1.9 4,-3.3 -4,-0.2 5,-0.4 0.913 77.6 54.5 -56.4 -49.5 -2.6 29.1 28.9 166 175 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.918 113.8 41.9 -54.1 -42.2 0.2 28.8 26.3 167 176 A H H > S+ 0 0 100 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.952 118.0 45.1 -67.7 -49.4 1.0 25.2 27.3 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.888 113.3 50.5 -63.5 -39.6 -2.7 24.1 27.7 169 178 A K H X S+ 0 0 18 -4,-3.3 4,-2.3 -5,-0.3 -1,-0.2 0.892 109.4 51.4 -67.7 -39.6 -3.7 25.8 24.4 170 179 A Y H X S+ 0 0 85 -4,-1.9 4,-1.3 -5,-0.4 -2,-0.2 0.949 112.7 45.3 -58.6 -49.9 -0.8 24.1 22.6 171 180 A L H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.918 112.1 51.5 -60.7 -46.2 -1.9 20.6 23.9 172 181 A T H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.7 0.918 107.4 53.1 -56.7 -46.3 -5.5 21.2 23.2 173 182 A D H 3X S+ 0 0 27 -4,-2.3 4,-2.9 1,-0.3 3,-0.5 0.767 99.9 61.8 -64.5 -26.0 -4.7 22.2 19.6 174 183 A Q H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.751 102.3 53.2 -72.5 -19.0 -2.8 19.0 19.1 175 184 A M H << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.661 124.2 23.8 -84.4 -18.9 -6.0 17.0 19.7 176 185 A T H < S+ 0 0 2 -4,-0.7 210,-2.3 -3,-0.5 211,-0.4 0.725 140.7 15.1-116.2 -35.6 -8.0 18.9 17.1 177 186 A R S < S- 0 0 28 -4,-2.9 -2,-0.1 208,-0.2 208,-0.1 -0.524 81.7-159.7-140.3 63.8 -5.5 20.3 14.5 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.193 15.5-154.9 -56.6 134.8 -2.2 18.4 15.2 179 188 A D - 0 0 99 3,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.536 49.7-106.8 -81.5 -7.7 1.0 20.0 13.9 180 189 A G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.199 100.0 100.7 103.2 -14.9 2.5 16.5 13.7 181 190 A S S S+ 0 0 75 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.721 87.7 33.1 -74.2 -21.6 4.8 16.9 16.7 182 191 A M S S- 0 0 54 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.999 73.7-133.6-136.8 138.4 2.5 15.0 19.0 183 192 A T > - 0 0 75 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.394 37.7-107.3 -72.9 164.2 0.1 12.1 18.5 184 193 A F H > S+ 0 0 15 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.937 123.0 54.9 -55.8 -45.2 -3.4 12.5 20.1 185 194 A A H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 108.7 47.2 -58.5 -42.7 -2.3 10.0 22.7 186 195 A E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 113.1 48.1 -65.0 -44.0 0.8 12.0 23.6 187 196 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 113.3 48.5 -61.6 -44.2 -1.2 15.3 23.8 188 197 A K H X S+ 0 0 17 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.930 110.8 49.6 -63.5 -43.8 -3.9 13.6 25.9 189 198 A E H X S+ 0 0 103 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 110.4 51.2 -63.9 -37.6 -1.3 12.1 28.3 190 199 A A H X S+ 0 0 24 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.884 109.8 49.7 -64.9 -38.3 0.3 15.5 28.6 191 200 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.923 112.5 47.3 -66.0 -41.7 -3.0 17.1 29.5 192 201 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.865 105.8 58.9 -65.3 -36.2 -3.6 14.4 32.1 193 202 A D H < S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 109.8 45.0 -58.4 -42.3 -0.1 14.9 33.4 194 203 A Y H X S+ 0 0 34 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.934 118.5 41.7 -61.3 -50.5 -1.2 18.5 34.1 195 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.799 96.3 74.8 -74.6 -35.4 -4.6 17.6 35.6 196 205 A I H X S+ 0 0 87 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.898 100.4 40.7 -49.0 -54.1 -3.7 14.6 37.8 197 206 A P H > S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.873 116.4 51.9 -63.8 -35.2 -1.9 16.6 40.7 198 207 A I H X S+ 0 0 26 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.902 108.6 49.1 -71.1 -39.9 -4.6 19.3 40.5 199 208 A I H X S+ 0 0 5 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.926 112.5 48.8 -63.7 -43.9 -7.4 16.9 40.8 200 209 A E H >X S+ 0 0 128 -4,-2.2 4,-2.0 -5,-0.2 3,-0.6 0.934 111.3 50.8 -56.5 -51.3 -5.7 15.2 43.8 201 210 A Q H 3X S+ 0 0 130 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.912 112.2 45.6 -56.9 -41.7 -5.2 18.6 45.4 202 211 A R H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.627 108.8 54.3 -87.1 -10.9 -8.8 19.6 45.0 203 212 A R H << S+ 0 0 84 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.770 114.7 43.3 -81.0 -31.5 -10.2 16.3 46.2 204 213 A Q H < S+ 0 0 151 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.895 135.1 16.4 -74.3 -42.9 -8.1 16.8 49.3 205 214 A K S < S- 0 0 167 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.756 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118.5 36.5 -64.9 -25.2 -13.6 16.1 41.2 216 225 A N T 3< S+ 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.212 98.4 120.2-107.4 12.2 -15.9 15.9 44.3 217 226 A G < - 0 0 10 -3,-1.7 7,-2.5 -4,-0.1 2,-0.3 -0.141 55.6-132.2 -77.9 168.4 -19.0 15.3 42.4 218 227 A Q E -H 223 0C 134 5,-0.2 2,-0.5 -116,-0.0 -1,-0.1 -0.892 8.1-153.5-113.5 151.7 -21.5 12.5 42.4 219 228 A V E > S-H 222 0C 0 3,-2.8 3,-1.7 -2,-0.3 -117,-0.1 -0.988 81.6 -21.3-127.5 119.4 -22.9 10.7 39.4 220 229 A N T 3 S- 0 0 129 -2,-0.5 -1,-0.1 -119,-0.4 -118,-0.1 0.885 130.1 -49.6 39.4 49.7 -26.3 9.2 39.9 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.434 119.2 95.2 84.4 1.8 -25.8 9.3 43.6 222 231 A R E < S-H 219 0C 85 -3,-1.7 -3,-2.8 1,-0.0 -1,-0.2 -0.877 82.4 -88.9-122.0 155.5 -22.3 7.6 43.9 223 232 A P E -H 218 0C 98 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.378 37.9-119.6 -66.2 139.4 -18.9 9.3 44.1 224 233 A I - 0 0 3 -7,-2.5 2,-0.2 -10,-0.2 3,-0.0 -0.451 31.7-121.9 -65.9 146.2 -17.0 10.1 40.9 225 234 A T > - 0 0 59 -2,-0.1 4,-2.7 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