==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-APR-03 1P2Y . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.STRICKLER,B.M.GOLDSTEIN,K.MAXFIELD,L.SHIREMAN,G.KIM, . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.6 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 . 33 8.1 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 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 1 0 4 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 . 2 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 0 194 0, 0.0 49,-0.5 0, 0.0 50,-0.4 0.000 360.0 360.0 360.0-135.9 30.8 22.4 61.2 2 11 A L B -A 49 0A 64 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.700 360.0-135.0 -98.3 138.4 28.0 24.9 62.0 3 12 A A - 0 0 26 45,-2.7 49,-0.0 -2,-0.4 -1,-0.0 -0.571 40.2 -94.6 -84.2 143.2 27.1 28.1 60.2 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.358 50.7 -98.1 -60.0 135.9 26.3 31.1 62.4 5 14 A L - 0 0 60 1,-0.1 43,-0.1 2,-0.1 6,-0.0 -0.350 37.2-116.7 -60.3 126.6 22.6 31.5 63.1 6 15 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.350 26.7-111.8 -63.0 145.0 20.7 34.0 60.8 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.762 114.2 49.5 -46.9 -37.9 19.2 37.1 62.6 8 17 A H T 3 S+ 0 0 39 2,-0.1 294,-0.2 294,-0.0 -3,-0.0 0.439 85.9 104.0 -87.1 -1.3 15.6 35.9 62.0 9 18 A V < - 0 0 6 -3,-2.0 2,-0.3 292,-0.1 5,-0.1 -0.735 67.5-134.7 -90.2 123.4 16.0 32.4 63.2 10 19 A P > - 0 0 37 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.587 12.2-133.5 -75.4 129.8 14.5 31.6 66.7 11 20 A E G > S+ 0 0 150 -2,-0.3 3,-1.5 1,-0.3 35,-0.1 0.778 101.3 66.1 -54.5 -27.8 16.9 29.6 68.9 12 21 A H G 3 S+ 0 0 146 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.576 97.3 55.6 -73.7 -7.8 14.0 27.2 69.9 13 22 A L G < S+ 0 0 17 -3,-2.2 33,-2.9 32,-0.1 2,-0.5 0.323 78.9 117.3-104.0 5.8 13.8 25.9 66.3 14 23 A V B < +b 46 0B 43 -3,-1.5 2,-0.3 31,-0.2 33,-0.2 -0.643 27.7 161.2 -81.3 119.7 17.4 24.9 66.0 15 24 A F - 0 0 66 31,-2.6 2,-2.9 -2,-0.5 30,-0.1 -0.870 34.0-142.5-138.1 100.1 18.0 21.1 65.5 16 25 A D + 0 0 62 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.279 35.1 166.0 -66.5 62.4 21.4 20.5 64.0 17 26 A F - 0 0 6 -2,-2.9 2,-0.6 32,-0.1 32,-0.3 -0.616 24.4-154.0 -80.5 134.9 20.5 17.7 61.7 18 27 A D > - 0 0 47 -2,-0.3 3,-1.4 1,-0.1 32,-0.1 -0.916 4.7-164.7-114.6 104.8 23.1 16.8 59.0 19 28 A M T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 14,-0.0 0.697 89.8 50.7 -61.2 -25.0 21.6 15.2 55.9 20 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.4 365,-0.0 -1,-0.3 0.582 131.4 13.5 -89.9 -9.8 24.9 13.9 54.6 21 30 A N S < S- 0 0 100 -3,-1.4 -2,-0.2 362,-0.1 -1,-0.2 -0.227 79.1-164.3-161.8 62.5 25.8 12.2 58.0 22 31 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.186 26.0-124.3 -53.8 138.2 22.8 12.0 60.4 23 32 A S T 3 S+ 0 0 119 1,-0.3 3,-0.4 2,-0.1 9,-0.1 0.827 108.5 49.5 -55.3 -38.0 23.7 11.2 64.0 24 33 A N T > S+ 0 0 60 8,-0.2 3,-1.4 1,-0.2 -1,-0.3 0.061 74.3 128.0 -93.5 30.5 21.5 8.1 64.3 25 34 A L G X + 0 0 12 -3,-1.7 3,-2.3 1,-0.3 357,-0.3 0.843 60.3 62.6 -53.0 -46.5 22.9 6.6 61.1 26 35 A S G 3 S+ 0 0 107 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.718 94.2 63.6 -55.0 -27.3 23.8 3.1 62.4 27 36 A A G < S- 0 0 51 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.565 130.1 -72.5 -75.7 -6.1 20.2 2.4 63.3 28 37 A G <> - 0 0 9 -3,-2.3 4,-2.2 -4,-0.2 -1,-0.3 -0.073 43.8-101.7 118.9 136.5 19.3 2.6 59.6 29 38 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.881 121.1 49.5 -58.2 -42.2 19.1 5.7 57.5 30 39 A Q H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 111.7 51.2 -62.7 -39.6 15.2 6.0 57.5 31 40 A E H > S+ 0 0 57 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.875 106.6 54.4 -62.6 -40.7 15.4 5.6 61.3 32 41 A A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.2 0.922 111.7 43.7 -60.0 -45.7 18.1 8.4 61.5 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.805 102.5 67.8 -70.1 -30.2 15.8 10.8 59.6 34 43 A A H >< S+ 0 0 24 -4,-1.9 3,-2.8 1,-0.3 -1,-0.2 0.723 79.0 78.9 -64.6 -19.6 12.8 9.8 61.7 35 44 A V G X< S+ 0 0 19 -3,-0.8 3,-1.5 -4,-0.7 -1,-0.3 0.797 82.0 68.1 -59.0 -24.5 14.3 11.4 64.8 36 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.484 98.5 53.3 -72.1 -1.5 13.1 14.7 63.2 37 46 A Q G < S+ 0 0 16 -3,-2.8 -1,-0.3 -4,-0.0 -2,-0.2 0.263 75.9 127.3-117.7 9.3 9.6 13.3 63.9 38 47 A E S X S- 0 0 108 -3,-1.5 3,-1.9 -4,-0.1 -3,-0.0 -0.328 76.9 -98.7 -66.8 151.2 9.9 12.6 67.7 39 48 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.776 119.9 49.8 -38.6 -46.4 7.2 14.1 69.9 40 49 A N T 3 S+ 0 0 122 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.660 88.4 98.7 -73.6 -19.2 9.3 17.1 71.1 41 50 A V S < S- 0 0 7 -3,-1.9 -28,-0.1 -6,-0.2 4,-0.1 -0.542 72.3-126.4 -77.4 130.9 10.5 18.2 67.6 42 51 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.151 22.1-110.5 -67.0 168.4 8.6 21.1 65.9 43 52 A D S S+ 0 0 55 1,-0.2 14,-2.7 256,-0.1 15,-0.6 0.756 107.1 34.9 -72.4 -25.7 7.1 20.8 62.3 44 53 A L E S+ C 0 56B 5 12,-0.2 2,-0.2 13,-0.1 -1,-0.2 -0.959 75.6 169.7-135.1 117.3 9.6 23.3 60.9 45 54 A V E - C 0 55B 1 10,-2.1 10,-1.9 -2,-0.4 2,-0.4 -0.729 25.9-132.3-122.2 170.6 13.2 23.5 62.2 46 55 A W E -bC 14 54B 12 -33,-2.9 -31,-2.6 8,-0.2 2,-0.4 -0.984 15.4-161.8-125.7 132.6 16.6 25.1 61.2 47 56 A T E - C 0 53B 0 6,-2.2 6,-1.6 -2,-0.4 -31,-0.2 -0.875 15.1-153.3-112.8 146.1 19.9 23.2 61.1 48 57 A R > + 0 0 80 -2,-0.4 -45,-2.7 4,-0.2 3,-0.6 0.502 66.8 104.7 -94.2 -4.3 23.2 25.0 61.1 49 58 A C B > S+A 2 0A 12 -32,-0.3 3,-1.5 1,-0.2 -2,-0.1 -0.420 78.8 16.1 -77.9 151.6 24.8 22.1 59.2 50 59 A N T 3 S- 0 0 45 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.841 141.6 -45.6 57.1 37.6 25.8 22.3 55.5 51 60 A G T < S- 0 0 60 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.207 103.0 -76.3 94.0 -14.2 25.5 26.1 55.4 52 61 A G < + 0 0 3 -3,-1.5 256,-0.3 1,-0.1 2,-0.3 0.476 61.8 164.0 91.7 126.3 22.2 26.3 57.3 53 62 A H E -C 47 0B 0 -6,-1.6 -6,-2.2 254,-0.1 256,-0.2 -0.976 36.0-100.7-168.0 155.6 18.7 25.6 56.0 54 63 A W E -Cd 46 309B 0 254,-2.4 256,-2.1 -2,-0.3 2,-0.3 -0.294 29.4-155.3 -76.5 167.4 15.1 25.0 57.2 55 64 A I E -Cd 45 310B 0 -10,-1.9 -10,-2.1 254,-0.2 2,-0.4 -0.888 7.8-149.2-149.4 113.8 13.6 21.4 57.3 56 65 A A E -C 44 0B 0 254,-2.1 -12,-0.2 -2,-0.3 259,-0.1 -0.725 15.7-173.9 -80.1 131.0 9.9 20.6 57.1 57 66 A T + 0 0 0 -14,-2.7 2,-0.3 -2,-0.4 -1,-0.1 0.591 53.4 66.9-106.1 -11.3 9.4 17.4 59.2 58 67 A R S > S- 0 0 7 -15,-0.6 4,-2.7 1,-0.1 3,-0.3 -0.846 77.5-122.9-116.2 151.3 5.8 16.4 58.6 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 257,-0.3 5,-0.2 0.847 110.6 55.9 -55.3 -39.0 3.9 15.2 55.6 60 69 A Q H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 112.5 41.3 -61.6 -45.8 1.4 18.1 55.8 61 70 A L H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.922 115.8 50.8 -66.3 -46.4 4.1 20.7 55.6 62 71 A I H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.875 111.9 46.4 -59.7 -41.3 6.1 18.8 52.9 63 72 A R H X S+ 0 0 57 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.905 112.0 51.7 -70.4 -38.6 3.0 18.3 50.7 64 73 A E H >X S+ 0 0 72 -4,-1.8 4,-2.0 -5,-0.2 3,-0.9 0.949 109.0 48.0 -61.2 -55.9 2.0 22.0 51.0 65 74 A A H 3< S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.3 -1,-0.2 0.890 108.9 54.0 -54.6 -44.4 5.4 23.4 50.1 66 75 A Y H 3< S+ 0 0 6 -4,-1.5 279,-0.5 1,-0.2 -1,-0.3 0.751 109.9 48.5 -64.4 -24.1 5.7 21.2 47.0 67 76 A E H << S+ 0 0 119 -4,-1.0 2,-1.5 -3,-0.9 -1,-0.2 0.863 100.0 69.7 -83.1 -35.8 2.3 22.4 45.8 68 77 A D X + 0 0 40 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 -0.594 53.7 162.0 -87.8 82.8 3.1 26.1 46.3 69 78 A Y T 4 + 0 0 63 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.619 68.3 68.0 -75.3 -14.1 5.8 26.7 43.6 70 79 A R T 4 S+ 0 0 171 -3,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.911 114.6 24.7 -72.3 -43.6 5.2 30.5 43.9 71 80 A H T 4 S+ 0 0 54 -3,-0.3 222,-1.9 1,-0.2 2,-0.6 0.779 127.5 49.5 -89.4 -29.5 6.7 30.7 47.4 72 81 A F E < S-E 292 0B 1 -4,-2.0 2,-0.3 -7,-0.3 -1,-0.2 -0.867 78.2-165.2-116.1 97.7 8.9 27.6 47.1 73 82 A S E > -E 291 0B 6 218,-2.4 218,-2.3 -2,-0.6 3,-0.7 -0.611 24.4-148.7 -89.1 141.3 11.0 27.5 43.9 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 215,-0.1 0.314 76.9 100.8 -83.4 6.3 12.9 24.6 42.4 75 84 A E T 3 S+ 0 0 136 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.707 97.9 19.9 -66.0 -23.0 15.5 27.0 41.0 76 85 A C S < S+ 0 0 7 -3,-0.7 -1,-0.3 213,-0.1 9,-0.2 -0.570 80.8 156.0-145.9 70.5 18.0 26.2 43.8 77 86 A P + 0 0 2 0, 0.0 212,-2.4 0, 0.0 2,-0.3 0.372 43.4 81.3 -81.8 -3.2 16.6 22.8 45.1 78 87 A F S S- 0 0 17 210,-0.2 6,-0.5 3,-0.2 7,-0.1 -0.792 74.7-105.8-114.8 154.8 19.7 21.2 46.7 79 88 A I S S+ 0 0 8 -2,-0.3 2,-0.1 4,-0.1 -28,-0.1 -0.950 94.7 47.5-109.0 132.6 21.6 21.5 50.0 80 89 A P S >> S- 0 0 28 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.561 88.5-124.6 -77.0 175.8 24.3 23.0 50.2 81 90 A R H 3> S+ 0 0 87 -31,-0.3 4,-2.7 1,-0.2 5,-0.2 0.838 106.2 56.8 -55.1 -45.4 23.7 26.3 48.4 82 91 A E H 3> S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 109.7 47.0 -57.7 -37.4 26.6 26.1 45.9 83 92 A A H <> S+ 0 0 3 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.915 112.5 48.7 -69.3 -46.2 25.2 22.7 44.6 84 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.5 -1,-0.2 0.894 112.0 48.9 -60.7 -42.7 21.6 24.1 44.3 85 94 A E H < S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.4 45.8 -65.2 -37.8 22.8 27.2 42.5 86 95 A A H < S+ 0 0 24 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.695 90.1 101.8 -79.2 -20.2 24.9 25.1 40.1 87 96 A Y < + 0 0 15 -4,-1.5 -9,-0.1 1,-0.1 98,-0.0 -0.520 34.7 153.3 -69.5 122.5 22.1 22.6 39.5 88 97 A D + 0 0 35 -2,-0.4 -1,-0.1 -12,-0.1 5,-0.1 0.141 13.8 145.1-139.4 24.1 20.3 23.2 36.2 89 98 A F > - 0 0 2 3,-0.1 4,-2.0 1,-0.1 143,-0.2 -0.170 52.7 -87.6 -61.1 157.0 18.9 19.9 35.0 90 99 A I T 4 S- 0 0 0 141,-1.5 145,-0.2 1,-0.2 -1,-0.1 -0.976 100.3 -0.9-119.1 135.5 15.5 20.1 33.1 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.981 122.4 68.6 -92.4 7.4 12.8 20.0 34.2 92 101 A T T 34 S+ 0 0 28 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.719 100.1 50.0 -57.3 -27.2 13.9 19.7 37.9 93 102 A S T 3< S+ 0 0 10 -4,-2.0 -1,-0.3 -18,-0.1 2,-0.3 0.346 100.9 79.8 -96.0 10.2 15.4 23.3 38.1 94 103 A M < - 0 0 30 -3,-2.0 -20,-0.1 -5,-0.1 -5,-0.0 -0.761 63.3-147.3-115.4 157.8 12.3 25.0 36.6 95 104 A D > - 0 0 21 -2,-0.3 4,-1.5 -22,-0.1 3,-0.5 -0.819 44.6 -55.2-115.4 159.8 9.0 26.1 38.1 96 105 A P T 4 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.361 114.8 33.5 -65.2 155.0 5.6 26.2 36.3 97 106 A P T >> S+ 0 0 94 0, 0.0 3,-0.6 0, 0.0 4,-0.6 -0.982 125.9 43.0 -79.4 -18.9 4.6 27.5 33.7 98 107 A E T 34 S+ 0 0 97 -3,-0.5 3,-0.4 1,-0.2 4,-0.3 0.856 112.6 51.2 -55.4 -45.7 8.1 27.1 32.1 99 108 A Q T >X S+ 0 0 0 -4,-1.5 3,-1.1 1,-0.2 4,-0.6 0.771 91.9 76.7 -68.2 -25.1 8.8 23.5 33.2 100 109 A R H X> S+ 0 0 130 -3,-0.6 3,-1.4 1,-0.2 4,-0.8 0.884 88.1 56.1 -52.6 -49.1 5.5 22.0 32.0 101 110 A Q H 3X S+ 0 0 46 -4,-0.6 4,-0.6 -3,-0.4 119,-0.3 0.717 103.2 56.4 -57.8 -26.1 6.4 21.9 28.3 102 111 A F H <> S+ 0 0 2 -3,-1.1 4,-1.4 -4,-0.3 -1,-0.3 0.658 93.0 68.3 -82.1 -18.6 9.5 19.8 29.0 103 112 A R H X S+ 0 0 6 -4,-1.4 3,-1.5 1,-0.2 4,-1.3 0.885 104.7 59.4 -66.6 -34.2 10.7 13.3 28.8 107 116 A N H 3X S+ 0 0 64 -4,-2.4 4,-1.9 1,-0.3 7,-0.3 0.782 94.2 65.7 -63.4 -28.7 7.6 11.1 28.8 108 117 A Q H 3< S+ 0 0 114 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.689 111.8 33.1 -65.4 -24.0 8.4 10.1 25.3 109 118 A V H <4 S+ 0 0 5 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.588 136.2 17.5-109.8 -15.9 11.5 8.3 26.5 110 119 A V H < S+ 0 0 14 -4,-1.3 243,-0.4 100,-0.1 -3,-0.2 0.362 94.1 116.2-135.5 2.2 10.7 7.0 29.9 111 120 A G S >X S- 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 3,-1.0 -0.099 82.5 -88.4 -71.8 172.7 6.9 7.0 30.1 112 121 A M H 3> S+ 0 0 106 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.849 124.0 58.5 -46.7 -46.8 4.4 4.1 30.4 113 122 A P H 3> S+ 0 0 95 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.890 112.2 40.0 -54.9 -41.3 4.2 3.6 26.6 114 123 A V H <> S+ 0 0 40 -3,-1.0 4,-0.6 -7,-0.3 -2,-0.2 0.893 115.0 52.8 -75.5 -38.9 8.0 3.0 26.5 115 124 A V H >X S+ 0 0 3 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<4 S- 0 0 106 -3,-2.8 -2,-0.2 2,-0.1 3,-0.1 0.834 88.5-143.3 -76.6 -35.8 26.8 -19.6 44.2 137 146 A G S < S+ 0 0 9 -4,-0.9 260,-1.8 -3,-0.4 2,-0.3 0.715 72.3 44.9 79.0 19.3 24.9 -19.4 47.4 138 147 A Q E +G 396 0C 118 -5,-0.4 2,-0.3 258,-0.3 258,-0.2 -0.962 53.3 158.0-176.0 170.5 26.1 -15.8 48.1 139 148 A C E -G 395 0C 15 256,-1.4 256,-2.4 -2,-0.3 2,-0.7 -0.934 45.9-105.7 172.1 165.9 26.7 -12.4 46.5 140 149 A N E >> -G 394 0C 40 -2,-0.3 4,-2.7 254,-0.2 3,-0.6 -0.948 34.8-154.9-112.7 100.1 27.1 -8.7 47.4 141 150 A F H 3>>S+ 0 0 0 252,-2.2 5,-2.9 -2,-0.7 4,-1.4 0.720 84.2 60.5 -46.9 -31.7 23.7 -7.5 46.2 142 151 A T H 34>S+ 0 0 14 3,-0.2 5,-1.6 4,-0.2 -1,-0.2 0.950 118.7 26.0 -68.9 -43.0 24.8 -3.9 45.6 143 152 A E H <45S+ 0 0 121 -3,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.779 123.4 51.6 -90.7 -25.0 27.4 -4.8 43.0 144 153 A D H <5S- 0 0 50 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.749 134.9 -12.6 -86.3 -21.5 26.0 -8.1 41.7 145 154 A Y T X5S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.3 -3,-0.2 0.542 121.8 66.1-144.8 -43.3 22.4 -7.1 40.9 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.844 107.5 56.9 -60.3 -37.6 23.9 -3.8 37.0 149 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -3,-0.1 0.977 118.9 25.9 -60.4 -61.7 20.1 -4.5 36.7 150 159 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.895 121.5 55.2 -71.3 -39.9 18.8 -0.9 36.4 151 160 A I H X S+ 0 0 1 -4,-2.0 4,-3.4 -5,-0.2 5,-0.2 0.934 109.4 44.9 -61.4 -45.3 22.0 0.6 35.0 152 161 A R H X S+ 0 0 94 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.877 110.3 55.7 -66.3 -37.3 22.3 -1.8 32.0 153 162 A I H X S+ 0 0 6 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.910 115.4 39.5 -59.3 -44.0 18.5 -1.4 31.3 154 163 A F H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 111.1 55.1 -72.9 -47.8 19.1 2.4 31.1 155 164 A M H X>S+ 0 0 2 -4,-3.4 5,-2.5 1,-0.2 4,-0.5 0.891 111.4 48.9 -53.6 -35.2 22.5 2.3 29.3 156 165 A L H ><5S+ 0 0 109 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.948 110.0 48.4 -67.9 -51.1 20.6 0.2 26.7 157 166 A L H 3<5S+ 0 0 27 -4,-1.8 53,-3.0 1,-0.3 -2,-0.2 0.839 116.4 45.5 -58.5 -34.3 17.7 2.6 26.3 158 167 A A H 3<5S- 0 0 0 -4,-2.6 53,-0.3 51,-0.2 -1,-0.3 0.458 107.9-123.0 -90.0 -7.3 20.1 5.5 26.0 159 168 A G T <<5 + 0 0 35 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.854 63.1 141.5 67.0 32.6 22.5 3.9 23.5 160 169 A L < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.937 55.9-107.1-110.7 132.2 25.5 4.3 25.8 161 170 A P > - 0 0 60 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.256 17.7-130.8 -59.8 135.8 28.2 1.5 26.1 162 171 A E G > S+ 0 0 104 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.766 103.2 70.1 -57.5 -28.7 28.3 -0.5 29.3 163 172 A E G 3 S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.643 91.1 62.5 -66.2 -12.9 32.1 0.1 29.7 164 173 A D G <> S+ 0 0 48 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.477 78.8 93.4 -90.1 -1.9 31.2 3.7 30.5 165 174 A I H <> S+ 0 0 28 -3,-1.9 4,-3.4 1,-0.2 5,-0.3 0.936 77.3 52.3 -58.8 -54.3 29.3 2.7 33.6 166 175 A P H > S+ 0 0 91 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.874 114.0 45.3 -53.3 -37.5 32.0 3.0 36.3 167 176 A H H > S+ 0 0 97 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.940 117.6 41.8 -69.9 -51.3 32.9 6.5 35.2 168 177 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.876 113.0 54.1 -63.7 -40.3 29.3 7.7 34.9 169 178 A K H X S+ 0 0 19 -4,-3.4 4,-1.8 -5,-0.2 -1,-0.2 0.889 108.6 49.6 -61.7 -40.9 28.2 6.0 38.2 170 179 A Y H X S+ 0 0 86 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.884 111.5 48.5 -64.0 -45.4 31.0 7.7 40.1 171 180 A L H >X S+ 0 0 6 -4,-1.8 3,-0.6 2,-0.2 4,-0.5 0.899 110.3 49.8 -63.9 -44.0 30.1 11.1 38.7 172 181 A T H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.8 0.886 107.7 56.1 -64.1 -36.3 26.3 10.8 39.5 173 182 A D H 3X S+ 0 0 35 -4,-1.8 4,-2.7 1,-0.3 3,-0.3 0.761 98.0 61.1 -66.5 -25.5 27.3 9.7 43.1 174 183 A Q H << S+ 0 0 8 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.676 103.1 52.7 -74.8 -16.3 29.2 12.9 43.6 175 184 A M H << S+ 0 0 8 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.679 122.6 26.2 -88.2 -23.6 26.0 14.8 43.1 176 185 A T H < S+ 0 0 6 -4,-0.8 210,-2.1 -3,-0.3 211,-0.4 0.776 140.7 11.6-106.9 -42.0 24.0 12.8 45.7 177 186 A R S < S- 0 0 46 -4,-2.7 -2,-0.2 208,-0.2 -1,-0.1 -0.620 80.3-160.9-140.0 72.8 26.6 11.5 48.2 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.326 14.8-153.6 -60.2 133.0 29.9 13.3 47.6 179 188 A D - 0 0 104 -2,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.394 50.9-104.0 -86.7 2.2 33.0 11.7 49.0 180 189 A G S S+ 0 0 66 2,-0.4 3,-0.0 -6,-0.1 -6,-0.0 0.207 100.7 101.1 97.5 -15.5 34.6 15.2 49.1 181 190 A S S S+ 0 0 74 1,-0.1 2,-0.4 2,-0.0 -7,-0.0 0.761 86.0 37.7 -73.9 -22.0 36.9 14.8 46.0 182 191 A M S S- 0 0 43 -8,-0.1 -2,-0.4 -11,-0.0 2,-0.1 -0.975 72.7-133.4-134.4 146.8 34.5 16.8 43.8 183 192 A T > - 0 0 69 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.460 36.6-108.8 -85.1 163.6 32.2 19.8 44.2 184 193 A F H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 120.3 54.3 -61.0 -40.7 28.7 19.6 42.8 185 194 A A H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 108.7 48.3 -57.9 -44.2 29.7 22.0 40.0 186 195 A E H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 110.9 47.7 -66.0 -44.1 32.7 19.8 38.9 187 196 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.928 113.3 50.1 -64.1 -43.5 30.8 16.5 38.8 188 197 A K H X S+ 0 0 20 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.915 110.8 49.0 -60.4 -45.0 28.0 18.2 36.8 189 198 A E H X S+ 0 0 109 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.859 108.4 52.3 -65.9 -34.4 30.5 19.6 34.4 190 199 A A H X S+ 0 0 25 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.827 110.4 50.2 -68.6 -31.3 32.3 16.3 33.9 191 200 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.917 111.1 46.8 -72.4 -44.8 28.8 14.8 33.1 192 201 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.861 107.3 59.3 -65.1 -32.1 28.1 17.6 30.6 193 202 A D H < S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.857 109.2 43.9 -62.7 -34.7 31.6 16.9 29.2 194 203 A Y H X S+ 0 0 35 -4,-1.2 4,-0.6 -3,-0.3 -2,-0.2 0.918 118.7 41.8 -76.1 -45.5 30.6 13.3 28.5 195 204 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.848 97.2 73.0 -72.7 -40.8 27.1 14.1 27.0 196 205 A I H X S+ 0 0 84 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.865 99.6 43.6 -45.1 -54.1 27.9 17.2 24.8 197 206 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.880 114.7 52.2 -62.1 -37.6 29.7 15.4 21.9 198 207 A I H X S+ 0 0 20 -4,-0.6 4,-2.4 -3,-0.3 -2,-0.2 0.882 108.3 48.6 -66.8 -41.6 27.1 12.6 22.0 199 208 A I H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.910 111.4 51.6 -66.3 -39.0 24.2 15.0 21.7 200 209 A E H X S+ 0 0 127 -4,-2.2 4,-1.3 -5,-0.3 3,-0.4 0.954 112.9 44.5 -63.4 -45.0 26.0 16.8 18.8 201 210 A Q H X S+ 0 0 102 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.865 110.9 54.0 -68.8 -31.2 26.5 13.5 17.0 202 211 A R H < S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.767 107.9 50.4 -72.7 -27.0 22.9 12.3 17.7 203 212 A R H < S+ 0 0 79 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.771 112.6 47.0 -80.1 -27.0 21.6 15.5 16.1 204 213 A Q H < S+ 0 0 139 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.942 135.2 10.7 -75.7 -51.8 23.7 15.0 13.0 205 214 A K S < S- 0 0 182 -4,-2.7 -1,-0.3 -5,-0.1 2,-0.2 -0.866 87.3-157.8-130.3 92.1 22.8 11.3 12.6 206 215 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.461 9.2-171.6 -77.2 144.0 19.9 10.4 14.9 207 216 A G - 0 0 39 -2,-0.2 -48,-0.0 2,-0.1 0, 0.0 -0.226 40.8 -96.7-108.7-157.3 19.1 6.9 16.1 208 217 A T S S+ 0 0 138 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.300 82.9 115.7-107.8 2.0 16.0 5.6 18.0 209 218 A D S > S- 0 0 29 -51,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.225 82.0 -99.9 -69.1 165.1 17.7 5.7 21.5 210 219 A A H > S+ 0 0 6 -53,-3.0 4,-2.1 1,-0.2 -52,-0.2 0.861 121.0 49.5 -52.5 -46.5 16.6 8.0 24.4 211 220 A I H > S+ 0 0 8 -53,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.867 109.9 50.5 -66.1 -36.7 19.3 10.6 23.8 212 221 A S H > S+ 0 0 3 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.873 110.2 51.9 -67.7 -37.9 18.5 10.9 20.0 213 222 A I H < S+ 0 0 57 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.929 114.5 40.8 -64.5 -45.4 14.8 11.4 20.9 214 223 A V H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.913 113.8 51.9 -70.3 -44.4 15.5 14.2 23.3 215 224 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 118.8 37.0 -63.0 -32.1 18.2 15.9 21.2 216 225 A N T 3< S+ 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.126 100.4 122.2-105.0 18.3 15.9 16.0 18.2 217 226 A G < - 0 0 7 -3,-1.5 7,-2.6 8,-0.1 2,-0.4 -0.203 52.8-137.5 -80.5 170.6 12.8 16.7 20.3 218 227 A Q E -I 223 0D 118 5,-0.3 2,-0.5 -116,-0.0 3,-0.1 -0.985 4.9-157.6-130.0 137.6 10.3 19.4 20.3 219 228 A V E > S-I 222 0D 1 3,-2.2 3,-1.5 -2,-0.4 -117,-0.1 -0.973 81.3 -19.4-118.7 116.3 8.7 21.3 23.3 220 229 A N T 3 S- 0 0 133 -2,-0.5 -1,-0.2 -119,-0.3 -118,-0.1 0.893 127.9 -52.6 54.3 44.7 5.4 23.0 22.6 221 230 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.122 118.5 101.1 84.6 -23.6 6.0 22.9 18.8 222 231 A R E < S-I 219 0D 85 -3,-1.5 -3,-2.2 1,-0.1 -1,-0.2 -0.639 80.3-102.2 -92.6 153.7 9.4 24.6 18.9 223 232 A P E -I 218 0D 96 0, 0.0 -5,-0.3 0, 0.0 2,-0.1 -0.522 36.1-113.6 -77.5 143.7 12.6 22.5 18.5 224 233 A I - 0 0 3 -7,-2.6 2,-0.1 -2,-0.2 -6,-0.0 -0.470 32.1-122.2 -71.7 145.3 14.7 21.9 21.7 225 234 A T > - 0 0 60 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.338 19.4-111.6 -84.0 168.8 18.1 23.5 21.9 226 235 A S H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.867 119.6 50.8 -65.5 -38.5 21.4 21.7 22.3 227 236 A D H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 110.9 47.5 -66.0 -44.7 21.8 23.3 25.8 228 237 A E H > S+ 0 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325 A S H >< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.5 -257,-0.3 0.916 104.3 41.9 -49.0 -55.0 5.9 12.0 54.4 317 326 A G H 3< S+ 0 0 1 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.689 113.0 54.6 -67.6 -20.2 5.2 8.3 54.4 318 327 A L H << S+ 0 0 4 -3,-0.9 -1,-0.2 -4,-0.5 2,-0.2 0.596 82.5 110.0 -87.1 -15.1 7.2 7.7 57.7 319 328 A D XX - 0 0 2 -4,-1.2 3,-1.8 -3,-1.0 4,-1.7 -0.458 67.2-142.8 -64.4 126.9 5.1 10.4 59.5 320 329 A E T 34 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.2 -4,-0.0 0.707 100.7 64.3 -63.4 -22.4 2.8 8.7 62.1 321 330 A R T 34 S+ 0 0 139 1,-0.2 -1,-0.3 -5,-0.1 3,-0.1 0.463 110.4 37.5 -82.0 0.1 0.1 11.3 61.2 322 331 A E T <4 S+ 0 0 44 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.624 128.8 25.2-117.5 -33.1 -0.0 9.8 57.7 323 332 A N S < S- 0 0 6 -4,-1.7 -1,-0.3 1,-0.1 13,-0.0 -0.948 73.4-138.8-141.6 118.1 0.4 6.0 58.5 324 333 A A S S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.752 98.1 23.5 -42.8 -52.0 -0.5 4.6 61.9 325 334 A C S > S+ 0 0 81 1,-0.2 3,-2.2 3,-0.1 -1,-0.3 -0.522 79.5 179.1-122.2 67.6 2.4 2.1 62.6 326 335 A P T 3 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