==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-FEB-05 1YRD . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR F.MEILLEUR,M.-T.DAUVERGNE,I.SCHLICHTING,D.A.A.MYLES . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.7 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 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 1 0 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 0 202 0, 0.0 2,-0.5 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 143.9 30.9 22.5 60.7 2 11 A L - 0 0 76 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.832 360.0-136.5-101.6 127.6 28.0 24.7 61.7 3 12 A A - 0 0 24 45,-2.7 49,-0.0 -2,-0.5 46,-0.0 -0.523 38.3 -93.8 -77.0 143.5 27.0 27.8 59.7 4 13 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.314 48.7-100.4 -59.5 139.5 26.3 30.9 61.8 5 14 A L - 0 0 65 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.405 37.1-117.8 -65.4 126.7 22.5 31.3 62.5 6 15 A P > - 0 0 32 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.289 26.3-109.9 -62.7 150.4 20.7 33.8 60.2 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.738 115.8 50.2 -52.3 -29.4 19.2 36.9 61.9 8 17 A H T 3 S+ 0 0 40 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.473 88.4 95.4 -92.8 -2.0 15.6 35.7 61.3 9 18 A V < - 0 0 9 -3,-1.9 2,-0.2 292,-0.1 5,-0.0 -0.804 67.6-140.9 -96.8 117.9 16.0 32.2 62.6 10 19 A P > - 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.476 16.0-125.7 -75.5 143.1 15.0 31.6 66.2 11 20 A E G > S+ 0 0 169 1,-0.3 3,-1.4 2,-0.2 35,-0.1 0.777 104.6 66.6 -58.5 -28.6 17.1 29.3 68.4 12 21 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.621 98.4 53.3 -72.2 -9.5 14.1 27.1 69.3 13 22 A L G < S+ 0 0 18 -3,-1.8 33,-3.2 32,-0.1 2,-0.5 0.365 82.0 115.9-103.1 4.3 13.8 25.9 65.8 14 23 A V B < +a 46 0A 37 -3,-1.4 2,-0.4 31,-0.2 33,-0.2 -0.640 27.8 160.0 -81.5 122.8 17.4 24.8 65.4 15 24 A F - 0 0 61 31,-2.8 2,-2.5 -2,-0.5 30,-0.1 -0.891 33.5-143.3-141.2 102.3 17.9 21.0 64.9 16 25 A D + 0 0 57 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.341 33.2 167.6 -72.7 66.8 21.4 20.4 63.4 17 26 A F - 0 0 8 -2,-2.5 2,-0.7 32,-0.1 32,-0.3 -0.639 25.2-150.9 -82.6 135.2 20.5 17.5 61.1 18 27 A D > - 0 0 45 -2,-0.3 3,-1.5 3,-0.1 -2,-0.0 -0.893 5.6-165.9-110.0 102.4 23.1 16.5 58.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.686 89.8 49.6 -61.4 -18.4 21.5 15.0 55.5 20 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.515 131.1 13.1 -98.6 -5.5 24.8 13.6 54.3 21 30 A N S < S- 0 0 102 -3,-1.5 -1,-0.2 362,-0.1 -2,-0.2 -0.299 80.9-163.9-166.3 66.2 25.8 12.0 57.5 22 31 A P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.297 26.8-119.2 -62.4 140.7 22.8 11.8 59.9 23 32 A S T 3 S+ 0 0 113 1,-0.3 3,-0.4 2,-0.1 9,-0.1 0.836 109.6 40.8 -45.3 -50.1 23.6 11.0 63.6 24 33 A N T > S+ 0 0 90 8,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.029 72.2 129.2 -96.7 34.5 21.6 7.8 63.9 25 34 A L G X + 0 0 31 -3,-1.8 3,-2.1 1,-0.3 357,-0.3 0.820 62.9 69.3 -55.4 -34.0 22.7 6.4 60.5 26 35 A S G 3 S+ 0 0 123 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.732 92.7 58.4 -59.0 -23.3 23.7 3.1 62.2 27 36 A A G < S- 0 0 57 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.557 131.9 -74.0 -82.9 -8.0 20.0 2.3 62.9 28 37 A G <> - 0 0 9 -3,-2.1 4,-2.3 -4,-0.3 -1,-0.3 -0.175 42.5-100.2 121.8 143.0 19.2 2.5 59.2 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.893 122.1 49.1 -64.7 -39.9 19.0 5.6 57.0 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 113.6 48.3 -64.2 -40.5 15.2 5.8 57.0 31 40 A E H 4 S+ 0 0 65 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.875 108.8 55.2 -63.9 -37.6 15.3 5.5 60.8 32 41 A A H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -8,-0.3 0.890 111.2 42.5 -63.3 -41.3 18.0 8.2 60.9 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.840 103.0 68.8 -73.8 -31.9 15.8 10.6 59.1 34 43 A A G >< S+ 0 0 20 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.631 77.8 80.5 -62.1 -14.6 12.8 9.6 61.2 35 44 A V G X S+ 0 0 22 -3,-0.7 3,-1.2 -4,-0.5 -1,-0.3 0.757 81.8 66.9 -63.9 -20.8 14.5 11.2 64.2 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.557 97.1 55.1 -74.4 -7.0 13.1 14.5 62.7 37 46 A Q G < S+ 0 0 17 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.133 78.6 124.3-112.6 18.8 9.6 13.1 63.5 38 47 A E S X S- 0 0 108 -3,-1.2 3,-2.4 1,-0.1 -3,-0.0 -0.463 77.6 -97.8 -78.8 154.0 10.1 12.5 67.2 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.773 119.0 48.1 -37.4 -50.6 7.7 14.2 69.6 40 49 A N T 3 S+ 0 0 118 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.504 89.9 99.8 -77.8 -3.3 9.9 17.2 70.6 41 50 A V S < S- 0 0 9 -3,-2.4 -28,-0.1 -6,-0.1 4,-0.1 -0.745 71.4-128.1 -92.1 125.3 10.8 18.1 67.0 42 51 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.109 24.0-110.5 -61.1 162.7 8.8 21.0 65.4 43 52 A D S S+ 0 0 54 1,-0.2 14,-3.2 256,-0.1 15,-0.5 0.814 108.8 31.9 -64.7 -32.5 7.2 20.6 62.0 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.978 77.5 172.7-132.8 119.1 9.7 22.9 60.4 45 54 A V E - B 0 55A 1 10,-2.1 10,-2.2 -2,-0.4 2,-0.4 -0.772 25.9-131.0-123.4 167.4 13.3 23.2 61.7 46 55 A W E -aB 14 54A 10 -33,-3.2 -31,-2.8 -2,-0.3 2,-0.4 -0.975 16.9-162.0-120.0 129.6 16.5 24.9 60.8 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.0 -2,-0.4 -31,-0.2 -0.908 15.0-153.7-110.4 140.7 19.8 23.0 60.6 48 57 A R > + 0 0 80 -2,-0.4 -45,-2.7 4,-0.2 3,-0.6 0.484 66.9 106.0 -88.6 -2.6 23.1 24.8 60.6 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-2.1 1,-0.2 -2,-0.1 -0.336 77.0 16.9 -74.6 158.4 24.7 21.9 58.8 50 59 A N G 3 S- 0 0 46 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.813 141.5 -45.0 48.9 40.7 25.7 22.0 55.1 51 60 A G G < S- 0 0 60 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.192 104.8 -72.2 94.4 -17.6 25.5 25.8 54.9 52 61 A G < + 0 0 3 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.449 66.1 157.9 98.1 122.8 22.3 26.2 56.8 53 62 A H E -B 47 0A 0 -6,-2.0 -6,-2.7 254,-0.1 256,-0.2 -0.983 37.4 -98.6-168.5 162.0 18.8 25.4 55.6 54 63 A W E -Bc 46 309A 0 254,-2.9 256,-3.1 -2,-0.3 2,-0.4 -0.453 26.9-158.1 -84.4 161.6 15.2 24.6 56.6 55 64 A I E -Bc 45 310A 0 -10,-2.2 -10,-2.1 254,-0.2 2,-0.5 -0.954 9.4-147.5-143.3 119.9 13.8 21.1 56.8 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.782 16.0-172.6 -85.2 127.3 10.1 20.3 56.6 57 66 A T + 0 0 0 -14,-3.2 2,-0.4 -2,-0.5 -13,-0.1 0.537 55.3 64.5-102.8 -6.2 9.6 17.2 58.8 58 67 A R S >> S- 0 0 6 -15,-0.5 4,-2.4 1,-0.1 3,-0.5 -0.922 77.7-123.8-122.6 147.2 6.0 16.2 58.1 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.9 256,-0.3 5,-0.3 0.829 108.5 60.0 -52.1 -39.5 4.1 15.1 55.1 60 69 A Q H 3> S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 112.2 38.2 -57.2 -47.1 1.6 17.9 55.3 61 70 A L H <> S+ 0 0 2 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.883 115.2 53.3 -71.2 -40.9 4.2 20.5 55.0 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.942 113.0 43.7 -59.9 -48.1 6.3 18.6 52.4 63 72 A R H X S+ 0 0 50 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.923 113.1 51.8 -64.0 -45.0 3.3 18.1 50.1 64 73 A E H X S+ 0 0 55 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.911 111.0 47.5 -58.8 -43.8 2.1 21.8 50.6 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.890 109.8 51.7 -67.7 -38.7 5.6 23.1 49.7 66 75 A Y H < S+ 0 0 5 -4,-2.1 279,-0.5 1,-0.2 -1,-0.2 0.764 111.1 49.6 -69.3 -23.4 5.9 20.9 46.6 67 76 A E H < S+ 0 0 108 -4,-1.5 2,-1.4 1,-0.2 -1,-0.2 0.838 100.6 67.3 -80.7 -35.3 2.5 22.1 45.4 68 77 A D >X + 0 0 40 -4,-1.8 4,-2.5 1,-0.2 3,-0.7 -0.573 53.3 158.8 -89.7 76.3 3.4 25.8 45.9 69 78 A Y T 34 + 0 0 68 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.664 67.2 71.5 -72.4 -14.5 6.0 26.4 43.2 70 79 A R T 34 S+ 0 0 185 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.879 115.4 21.9 -68.0 -36.3 5.3 30.1 43.4 71 80 A H T <4 S+ 0 0 53 -3,-0.7 222,-2.2 1,-0.2 2,-0.7 0.765 127.4 51.0 -98.1 -33.1 6.9 30.3 46.8 72 81 A F E < S-D 292 0A 0 -4,-2.5 -1,-0.2 -7,-0.3 220,-0.2 -0.834 79.4-163.9-112.6 94.4 9.1 27.2 46.7 73 82 A S E -D 291 0A 4 218,-2.5 218,-2.1 -2,-0.7 3,-0.4 -0.481 24.5-148.5 -83.4 146.3 11.2 27.2 43.4 74 83 A S S S+ 0 0 0 216,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.374 76.4 101.0 -88.8 2.6 13.0 24.3 41.8 75 84 A E S S+ 0 0 128 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.911 98.0 22.2 -55.2 -43.4 15.6 26.7 40.4 76 85 A C S S+ 0 0 15 -3,-0.4 -1,-0.3 1,-0.1 8,-0.2 -0.754 77.9 157.0-127.5 82.5 18.0 25.7 43.3 77 86 A P + 0 0 3 0, 0.0 212,-2.4 0, 0.0 2,-0.3 0.449 47.6 76.9 -85.4 -7.6 16.7 22.3 44.4 78 87 A F S S- 0 0 16 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.847 74.4-113.5-113.9 149.7 19.9 20.8 46.0 79 88 A I S S+ 0 0 5 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.923 89.6 57.4-111.6 139.3 21.7 21.4 49.3 80 89 A P S >> S- 0 0 30 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.534 89.0-124.5 -69.6 167.9 24.4 22.7 49.8 81 90 A R H 3> S+ 0 0 85 -31,-0.4 4,-2.9 1,-0.3 5,-0.2 0.832 108.7 59.0 -52.6 -38.6 23.8 26.0 48.1 82 91 A E H 3> S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.905 109.6 44.6 -58.7 -41.6 26.7 25.6 45.7 83 92 A A H <> S+ 0 0 5 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.926 112.2 51.3 -67.9 -46.0 25.2 22.4 44.4 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.6 -1,-0.2 0.903 111.5 48.2 -58.2 -41.7 21.8 23.9 44.1 85 94 A E H < S+ 0 0 128 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.2 44.8 -68.2 -37.0 23.2 26.8 42.2 86 95 A A H < S+ 0 0 18 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 0.780 89.3 103.2 -76.5 -27.0 25.1 24.6 39.8 87 96 A Y < + 0 0 12 -4,-2.3 -9,-0.1 -5,-0.1 98,-0.0 -0.403 33.9 151.1 -60.7 111.4 22.2 22.2 39.3 88 97 A D + 0 0 37 -2,-0.4 -1,-0.1 -12,-0.1 143,-0.1 0.147 15.5 145.5-132.0 23.7 20.6 23.0 35.9 89 98 A F > - 0 0 3 3,-0.1 4,-2.5 145,-0.1 143,-0.2 -0.198 50.4 -91.8 -60.9 153.1 19.1 19.7 34.8 90 99 A I T 4 S+ 0 0 0 141,-1.7 145,-0.2 1,-0.2 -1,-0.1 -0.945 97.9 2.9-115.7 138.9 15.9 19.8 32.8 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.999 124.9 62.2 -86.8 -5.3 13.0 19.7 33.7 92 101 A T T 34 S+ 0 0 26 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.738 99.4 53.2 -55.2 -31.3 13.9 19.6 37.4 93 102 A S T 3< S+ 0 0 13 -4,-2.5 2,-0.3 -17,-0.1 -1,-0.3 0.390 101.0 80.3 -87.1 6.9 15.7 23.0 37.7 94 103 A M < - 0 0 10 -3,-2.0 -5,-0.0 -5,-0.1 -6,-0.0 -0.828 65.9-145.8-114.9 152.2 12.6 24.7 36.2 95 104 A D > - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.705 44.2 -60.6-106.6 161.0 9.3 25.9 37.6 96 105 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.472 112.8 38.9 -68.7 156.6 6.0 25.9 35.7 97 106 A P T >> S+ 0 0 105 0, 0.0 3,-0.7 0, 0.0 4,-0.6 -0.946 126.9 35.9 -79.7 -26.3 5.1 27.2 33.3 98 107 A E T 34 S+ 0 0 107 -3,-0.2 4,-0.4 1,-0.2 3,-0.3 0.801 112.4 62.4 -56.4 -31.6 8.4 26.8 31.4 99 108 A Q T >X S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 4,-0.7 0.894 89.3 68.2 -60.3 -46.3 9.0 23.4 33.0 100 109 A R H X> S+ 0 0 135 -3,-0.7 3,-1.3 1,-0.3 4,-0.8 0.810 86.9 62.0 -46.4 -49.2 6.0 21.6 31.5 101 110 A Q H 3X S+ 0 0 33 -4,-0.6 4,-0.6 -3,-0.3 119,-0.4 0.793 102.7 54.1 -53.3 -30.1 7.0 21.5 27.8 102 111 A F H <> S+ 0 0 1 -3,-1.5 4,-2.0 -4,-0.4 -1,-0.3 0.751 93.1 69.5 -79.0 -23.8 10.0 19.4 28.6 103 112 A R H X S+ 0 0 1 -4,-0.6 4,-0.6 2,-0.2 3,-0.6 0.921 111.5 49.2 -67.7 -43.6 9.8 14.9 25.6 106 115 A A H >X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 3,-1.2 0.888 106.3 57.8 -62.4 -36.9 11.3 13.1 28.6 107 116 A N H 3X S+ 0 0 62 -4,-2.4 4,-1.9 1,-0.3 7,-0.3 0.813 95.8 65.9 -62.9 -28.9 8.2 10.9 28.7 108 117 A Q H << S+ 0 0 104 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.764 111.0 33.2 -63.0 -28.3 9.0 9.8 25.1 109 118 A V H << S+ 0 0 3 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.646 135.9 19.3-105.9 -18.0 12.2 8.1 26.3 110 119 A V H < S+ 0 0 9 -4,-1.5 243,-0.4 100,-0.1 242,-0.2 0.288 97.9 112.7-133.1 7.5 11.4 6.7 29.7 111 120 A G S X S- 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 3,-0.5 -0.047 85.0 -82.3 -75.5-179.3 7.6 6.7 29.7 112 121 A M H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.882 124.5 56.4 -50.9 -50.7 5.1 3.9 29.8 113 122 A P H > S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.897 110.2 46.3 -51.4 -43.0 5.2 3.1 26.0 114 123 A V H > S+ 0 0 16 -3,-0.5 4,-2.5 -7,-0.3 -2,-0.2 0.873 110.8 52.8 -67.6 -38.9 9.0 2.6 26.3 115 124 A V H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.946 107.4 49.9 -62.5 -49.6 8.6 0.5 29.4 116 125 A D H < S+ 0 0 107 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.856 111.8 52.1 -56.8 -33.6 6.1 -1.9 27.7 117 126 A K H < S+ 0 0 138 -4,-1.4 3,-0.4 -5,-0.3 4,-0.3 0.924 112.3 42.6 -67.7 -47.0 8.7 -2.0 24.8 118 127 A L H >X S+ 0 0 13 -4,-2.5 4,-2.8 1,-0.2 3,-0.7 0.624 84.7 103.6 -76.0 -15.5 11.6 -2.9 27.1 119 128 A E H 3X S+ 0 0 74 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.825 81.3 45.8 -32.8 -60.2 9.6 -5.5 29.1 120 129 A N H 3> S+ 0 0 125 -3,-0.4 4,-2.8 -4,-0.4 -1,-0.3 0.896 114.9 46.3 -57.4 -44.2 11.1 -8.5 27.5 121 130 A R H <> S+ 0 0 126 -3,-0.7 4,-2.3 -4,-0.3 -1,-0.2 0.881 113.1 51.2 -67.2 -36.1 14.7 -7.3 27.7 122 131 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.953 113.2 44.2 -63.9 -49.7 14.1 -6.3 31.3 123 132 A Q H X S+ 0 0 67 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.921 112.9 53.0 -59.5 -46.2 12.7 -9.7 32.2 124 133 A E H X S+ 0 0 114 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.891 110.5 45.7 -57.9 -44.7 15.5 -11.4 30.2 125 134 A L H X S+ 0 0 32 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.910 111.3 51.9 -68.5 -42.0 18.3 -9.5 32.1 126 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.955 113.7 44.1 -58.7 -49.7 16.8 -10.1 35.5 127 136 A C H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.898 113.9 50.4 -62.2 -42.4 16.5 -13.8 34.9 128 137 A S H X S+ 0 0 74 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.929 113.1 44.6 -63.2 -46.9 20.0 -14.0 33.3 129 138 A L H X S+ 0 0 20 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.918 116.2 46.1 -64.7 -44.4 21.7 -12.2 36.2 130 139 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.890 110.8 51.8 -67.7 -39.9 19.8 -14.1 38.9 131 140 A E H < S+ 0 0 67 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.840 107.4 53.9 -66.4 -31.5 20.4 -17.5 37.3 132 141 A S H < S+ 0 0 78 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.825 115.6 39.5 -71.3 -30.2 24.1 -16.8 37.1 133 142 A L H >X>S+ 0 0 14 -4,-1.2 3,-1.8 -3,-0.2 4,-0.7 0.821 96.8 81.9 -86.0 -34.7 24.2 -16.1 40.8 134 143 A R G ><5S+ 0 0 36 -4,-2.7 3,-0.9 1,-0.3 -2,-0.1 0.812 90.5 47.4 -40.4 -52.5 21.9 -18.8 41.9 135 144 A P G 345S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 99.8 69.9 -68.8 -17.8 24.4 -21.7 42.0 136 145 A Q G <45S- 0 0 105 -3,-1.8 -2,-0.2 -4,-0.2 261,-0.1 0.758 89.9-141.9 -70.7 -27.4 27.0 -19.7 43.9 137 146 A G T <<5S+ 0 0 8 -3,-0.9 260,-2.3 -4,-0.7 2,-0.3 0.633 74.5 48.2 74.2 11.5 25.0 -19.6 47.1 138 147 A Q E < +F 396 0B 119 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.969 56.6 171.6-172.1 160.0 26.1 -16.1 47.7 139 148 A C E -F 395 0B 5 256,-1.9 256,-2.7 -2,-0.3 2,-0.9 -0.979 40.6-116.2-168.3 164.3 26.5 -12.6 46.2 140 149 A N E > -F 394 0B 72 -2,-0.3 4,-3.0 254,-0.2 3,-0.5 -0.904 37.2-161.1-107.4 91.4 27.4 -9.0 46.9 141 150 A F H >>S+ 0 0 0 252,-2.2 5,-2.5 -2,-0.9 4,-1.8 0.807 79.8 57.8 -48.9 -40.2 23.9 -7.7 45.9 142 151 A T H 4>S+ 0 0 16 1,-0.2 5,-1.6 3,-0.2 -1,-0.2 0.951 121.1 25.3 -60.1 -49.0 24.8 -4.1 45.4 143 152 A E H 45S+ 0 0 108 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.781 123.6 51.6 -86.8 -26.3 27.5 -4.9 42.7 144 153 A D H <5S- 0 0 46 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.680 134.8 -12.7 -85.5 -19.3 26.1 -8.2 41.5 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -3,-0.2 0.480 121.5 64.9-143.8 -55.6 22.5 -7.2 40.8 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.846 109.4 56.5 -56.5 -38.1 24.0 -4.0 36.7 149 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 5,-0.1 0.987 117.4 28.4 -60.6 -63.8 20.3 -4.7 36.3 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 123.9 51.3 -66.5 -37.6 18.9 -1.2 36.2 151 160 A I H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.919 108.4 47.8 -68.0 -44.4 22.1 0.3 34.8 152 161 A R H X S+ 0 0 87 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.875 111.3 53.6 -65.4 -33.1 22.5 -2.0 31.8 153 162 A I H X S+ 0 0 3 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.933 111.7 45.0 -65.0 -43.2 18.9 -1.5 31.0 154 163 A F H X S+ 0 0 6 -4,-2.1 4,-2.6 86,-0.2 -2,-0.2 0.899 111.4 50.9 -67.8 -40.6 19.4 2.3 31.0 155 164 A M H X>S+ 0 0 1 -4,-2.8 5,-2.6 2,-0.2 4,-0.7 0.881 111.7 49.7 -64.5 -35.1 22.6 2.1 29.0 156 165 A L H ><5S+ 0 0 75 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.964 111.9 47.1 -64.2 -51.9 20.8 -0.1 26.5 157 166 A L H 3<5S+ 0 0 16 -4,-2.5 53,-2.6 1,-0.3 -2,-0.2 0.862 118.1 42.3 -56.8 -38.9 17.9 2.4 26.3 158 167 A A H 3<5S- 0 0 1 -4,-2.6 53,-0.3 51,-0.2 -1,-0.3 0.462 108.8-122.4 -89.9 -3.2 20.3 5.3 25.9 159 168 A G T <<5 + 0 0 33 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.890 61.4 143.5 63.8 40.9 22.6 3.5 23.5 160 169 A L < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.894 55.8-103.0-114.3 142.8 25.7 3.9 25.6 161 170 A P > - 0 0 52 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.387 20.4-133.9 -65.6 135.8 28.5 1.3 25.9 162 171 A E G > S+ 0 0 104 1,-0.3 3,-1.6 2,-0.2 -7,-0.0 0.738 102.6 72.3 -61.1 -22.4 28.5 -0.7 29.2 163 172 A E G 3 S+ 0 0 162 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.672 90.3 61.5 -66.2 -15.6 32.2 -0.1 29.5 164 173 A D G <> S+ 0 0 40 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.566 77.9 92.2 -86.8 -9.7 31.3 3.5 30.4 165 174 A I H <> S+ 0 0 30 -3,-1.6 4,-3.3 -4,-0.2 5,-0.3 0.900 79.1 54.2 -53.6 -50.0 29.4 2.5 33.5 166 175 A P H > S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.920 114.0 42.6 -53.1 -45.1 32.2 2.8 36.0 167 176 A H H > S+ 0 0 98 -4,-0.3 4,-2.0 -3,-0.2 -2,-0.2 0.942 117.6 44.2 -66.0 -49.9 32.9 6.4 35.0 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.878 112.6 52.2 -64.7 -38.2 29.3 7.5 34.7 169 178 A K H X S+ 0 0 19 -4,-3.3 4,-2.1 -5,-0.3 -1,-0.2 0.872 108.2 51.8 -67.0 -36.8 28.3 5.8 38.0 170 179 A Y H X S+ 0 0 82 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.939 112.8 44.7 -64.0 -46.8 31.2 7.5 39.8 171 180 A L H >X S+ 0 0 1 -4,-2.0 4,-0.8 2,-0.2 3,-0.7 0.937 111.6 52.0 -62.8 -47.8 30.1 10.9 38.5 172 181 A T H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 4,-0.7 0.923 108.1 52.5 -55.0 -46.2 26.4 10.4 39.2 173 182 A D H 3X S+ 0 0 26 -4,-2.1 4,-2.9 1,-0.3 3,-0.4 0.762 100.1 61.8 -63.5 -26.3 27.2 9.4 42.8 174 183 A Q H << S+ 0 0 10 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.728 102.7 52.5 -72.9 -19.0 29.2 12.6 43.4 175 184 A M H << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.673 123.4 25.5 -88.0 -18.5 26.1 14.6 42.7 176 185 A T H < S+ 0 0 2 -4,-0.7 210,-2.2 -3,-0.4 211,-0.4 0.741 140.7 14.1-112.6 -38.6 24.0 12.6 45.3 177 186 A R S < S- 0 0 28 -4,-2.9 -2,-0.2 208,-0.2 208,-0.1 -0.511 82.4-158.5-139.5 65.9 26.4 11.3 47.9 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.143 14.8-155.5 -51.9 135.1 29.7 13.1 47.3 179 188 A D - 0 0 93 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.600 49.9-106.0 -84.8 -15.5 32.9 11.5 48.6 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.164 100.8 98.7 110.7 -16.8 34.6 14.9 48.7 181 190 A S S S+ 0 0 74 1,-0.1 2,-0.4 2,-0.0 -7,-0.0 0.682 88.7 35.2 -76.1 -18.2 36.9 14.6 45.7 182 191 A M S S- 0 0 48 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.1 -0.999 72.7-135.5-139.6 141.3 34.4 16.5 43.5 183 192 A T > - 0 0 76 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.430 39.0-105.9 -81.8 166.4 32.0 19.4 44.0 184 193 A F H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.933 122.6 53.1 -58.3 -45.7 28.6 19.0 42.5 185 194 A A H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 108.3 48.8 -57.3 -42.5 29.6 21.5 39.8 186 195 A E H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 113.1 47.3 -66.7 -40.0 32.7 19.5 38.9 187 196 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 113.2 49.0 -66.9 -42.7 30.8 16.3 38.7 188 197 A K H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.927 110.7 49.6 -62.5 -45.7 28.1 17.9 36.6 189 198 A E H X S+ 0 0 102 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.870 109.9 51.6 -62.5 -36.2 30.6 19.5 34.2 190 199 A A H X S+ 0 0 24 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.887 109.5 49.9 -67.5 -38.5 32.4 16.1 33.8 191 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.893 112.6 46.8 -66.6 -39.0 29.0 14.5 32.9 192 201 A Y H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.858 106.4 58.5 -70.2 -33.2 28.3 17.2 30.4 193 202 A D H < S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.9 46.7 -61.1 -36.9 31.9 16.7 29.0 194 203 A Y H X S+ 0 0 33 -4,-1.6 4,-0.6 1,-0.1 -2,-0.2 0.928 117.4 41.6 -69.4 -47.0 30.9 13.1 28.4 195 204 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.826 95.2 76.8 -73.3 -36.9 27.5 14.0 26.8 196 205 A I H X S+ 0 0 95 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.883 99.6 39.9 -46.1 -56.0 28.4 17.0 24.6 197 206 A P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.882 116.0 52.7 -65.5 -33.5 30.1 15.1 21.7 198 207 A I H X S+ 0 0 24 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.908 109.3 48.5 -65.9 -43.2 27.6 12.3 21.8 199 208 A I H X S+ 0 0 4 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.923 111.9 49.6 -63.8 -43.1 24.6 14.7 21.6 200 209 A E H >X S+ 0 0 79 -4,-2.1 4,-1.5 -5,-0.3 3,-0.6 0.926 111.2 49.4 -61.7 -44.6 26.3 16.5 18.6 201 210 A Q H 3X S+ 0 0 114 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.893 112.3 47.1 -62.1 -41.6 26.9 13.2 16.8 202 211 A R H 3< S+ 0 0 44 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.604 108.3 54.6 -80.1 -9.4 23.3 12.0 17.3 203 212 A R H << S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.756 113.5 43.9 -87.6 -27.8 21.9 15.3 16.1 204 213 A Q H < S+ 0 0 130 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.871 134.3 17.3 -79.9 -40.5 24.0 14.9 13.0 205 214 A K S < S- 0 0 145 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.741 88.2-150.7-136.0 83.7 23.1 11.2 12.6 206 215 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.210 13.7-173.1 -58.2 141.2 20.0 10.3 14.7 207 216 A G - 0 0 39 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.394 38.8-102.5-116.2-164.4 19.5 6.8 16.1 208 217 A T S S+ 0 0 131 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.338 83.1 111.3-106.5 4.9 16.6 5.3 17.9 209 218 A D S > S- 0 0 24 -51,-0.1 4,-2.4 1,-0.1 -51,-0.2 -0.271 83.9-102.7 -75.2 164.6 18.2 5.5 21.3 210 219 A A H > S+ 0 0 7 -53,-2.6 4,-2.5 1,-0.2 5,-0.2 0.849 120.1 52.5 -57.2 -40.5 17.0 7.9 24.1 211 220 A I H > S+ 0 0 3 -53,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.929 110.3 48.1 -65.2 -42.2 19.7 10.4 23.6 212 221 A S H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.924 112.2 50.0 -62.0 -43.9 18.9 10.7 19.8 213 222 A I H < S+ 0 0 50 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.928 115.7 41.7 -61.6 -45.3 15.2 11.1 20.6 214 223 A V H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.947 113.8 51.8 -67.3 -47.8 15.8 13.8 23.1 215 224 A A H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 119.1 35.7 -62.8 -25.4 18.5 15.6 21.1 216 225 A N T 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.261 99.0 113.5-110.7 9.6 16.3 15.8 18.0 217 226 A G < - 0 0 12 -3,-1.3 7,-2.2 -4,-0.3 2,-0.3 -0.099 58.3-129.0 -78.3 176.6 13.0 16.3 19.8 218 227 A Q E -H 223 0C 122 5,-0.2 2,-0.4 -116,-0.0 -2,-0.1 -0.911 9.1-155.7-123.7 151.4 10.6 19.2 19.9 219 228 A V E > S-H 222 0C 0 3,-2.8 3,-1.8 -2,-0.3 -117,-0.1 -0.996 81.4 -13.2-129.4 123.8 9.1 20.9 22.9 220 229 A N T 3 S- 0 0 134 -2,-0.4 -1,-0.1 -119,-0.4 -118,-0.1 0.884 131.8 -52.7 52.1 40.0 5.9 22.8 22.5 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.461 118.7 97.1 80.1 1.2 6.3 22.5 18.8 222 231 A R E < S-H 219 0C 82 -3,-1.8 -3,-2.8 1,-0.0 -1,-0.2 -0.898 81.4 -86.8-124.5 155.1 9.8 24.0 18.4 223 232 A P E -H 218 0C 98 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.289 39.3-124.2 -59.0 133.2 13.3 22.4 18.2 224 233 A I - 0 0 4 -7,-2.2 2,-0.1 -10,-0.1 3,-0.0 -0.506 30.9-119.8 -74.3 147.3 15.1 21.6 21.4 225 234 A T > - 0 0 63 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.489 17.8-112.6 -87.2 161.9 18.5 23.2 21.7 226 235 A S H > S+ 0 0 48 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