==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-07 3B9O . COMPND 2 MOLECULE: ALKANE MONOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMODENITRIFICANS; . AUTHOR L.LI,W.YANG,F.XU,M.BARTLAM,Z.RAO . 866 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 57 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.7 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 0 3 5 0 2 0 2 0 2 2 5 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 7 6 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 PARALLEL BRIDGES PER LADDER . 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 2 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 3 A K 0 0 216 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.8 -5.9 50.0 7.4 2 4 A K - 0 0 89 1,-0.0 2,-0.4 399,-0.0 399,-0.2 -0.747 360.0-124.5-100.1 133.2 -5.1 47.6 10.2 3 5 A I - 0 0 4 397,-2.7 2,-0.4 -2,-0.4 399,-0.3 -0.576 19.7-134.9 -76.2 123.1 -7.1 44.5 10.9 4 6 A H E -a 372 0A 16 367,-2.1 369,-2.4 -2,-0.4 2,-0.5 -0.643 23.4-163.8 -74.9 131.7 -8.5 44.1 14.4 5 7 A I E -a 373 0A 1 -2,-0.4 45,-2.0 367,-0.2 46,-1.0 -0.970 9.0-174.3-126.7 124.7 -8.0 40.6 15.8 6 8 A N E -ab 374 51A 0 367,-3.1 369,-3.7 -2,-0.5 2,-0.6 -0.884 25.9-125.9-108.5 146.5 -9.8 39.1 18.8 7 9 A A E -ab 375 52A 0 44,-2.8 46,-3.4 -2,-0.3 2,-0.6 -0.803 26.3-138.7 -88.8 120.3 -9.1 35.7 20.4 8 10 A F E + b 0 53A 13 367,-2.7 369,-0.4 -2,-0.6 2,-0.3 -0.733 39.4 150.3 -88.6 123.2 -12.3 33.7 20.5 9 11 A E E - b 0 54A 0 44,-3.1 46,-2.9 -2,-0.6 2,-0.3 -0.861 30.4-159.2-145.4 169.4 -12.7 31.8 23.8 10 12 A M E - b 0 55A 0 -2,-0.3 2,-2.4 44,-0.2 46,-0.1 -0.937 33.0-116.2-156.6 143.6 -15.1 30.4 26.3 11 13 A N S S+ 0 0 0 44,-0.6 70,-3.1 -2,-0.3 2,-0.3 -0.426 89.1 70.9 -79.6 67.4 -14.8 29.5 30.0 12 14 A C B S-J 80 0B 0 -2,-2.4 -2,-0.2 68,-0.2 68,-0.2 -0.899 87.1-100.9-160.8-172.8 -15.5 25.7 29.4 13 15 A V S S+ 0 0 0 66,-0.8 2,-0.7 1,-0.3 -1,-0.2 0.960 103.1 32.9 -89.0 -69.7 -14.1 22.6 27.8 14 16 A G B +k 76 0C 6 61,-2.0 63,-1.8 64,-0.2 -1,-0.3 -0.829 65.6 155.4 -96.9 112.8 -15.7 22.1 24.3 15 17 A H S S- 0 0 20 -2,-0.7 -1,-0.2 -3,-0.2 3,-0.1 0.861 74.0 -28.2 -97.4 -75.3 -16.5 25.5 22.8 16 18 A I S S+ 0 0 22 361,-0.2 2,-1.8 1,-0.1 362,-0.1 0.776 124.9 64.3-113.4 -49.2 -16.7 25.3 18.9 17 19 A A S > S- 0 0 14 360,-0.5 3,-1.9 284,-0.0 4,-0.2 -0.498 79.5-156.3 -82.8 76.0 -14.3 22.4 17.8 18 20 A H T 3 S+ 0 0 0 -2,-1.8 284,-2.5 1,-0.2 288,-0.1 -0.191 71.3 21.6 -64.3 136.3 -16.2 19.5 19.4 19 21 A G T > S+ 0 0 2 55,-0.5 3,-1.3 282,-0.2 -1,-0.2 0.102 91.9 105.4 98.8 -21.8 -14.2 16.4 20.1 20 22 A L G X + 0 0 2 -3,-1.9 3,-2.3 1,-0.3 6,-0.2 0.656 52.5 85.0 -70.7 -17.1 -10.8 18.2 20.1 21 23 A W G 3 S+ 0 0 18 1,-0.3 -1,-0.3 -4,-0.2 8,-0.2 0.800 86.8 61.6 -52.7 -29.1 -10.4 18.1 23.9 22 24 A R G < S+ 0 0 42 -3,-1.3 -1,-0.3 278,-0.2 -2,-0.2 0.661 74.4 114.2 -68.1 -23.6 -8.9 14.7 23.2 23 25 A H S X S- 0 0 20 -3,-2.3 3,-2.0 1,-0.2 274,-0.0 -0.299 73.4-128.8 -56.7 133.6 -6.0 16.0 21.0 24 26 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.667 106.2 50.5 -64.2 -14.2 -2.7 15.3 22.8 25 27 A E T 3 S+ 0 0 141 2,-0.0 357,-0.2 356,-0.0 -2,-0.1 0.536 89.8 109.5 -97.1 -6.0 -1.6 18.9 22.4 26 28 A N < - 0 0 10 -3,-2.0 3,-0.1 -6,-0.2 353,-0.1 -0.212 46.4-167.9 -82.9 158.9 -4.8 20.5 23.8 27 29 A Q > + 0 0 56 353,-0.6 3,-2.0 -14,-0.1 -1,-0.1 0.090 48.5 120.7-132.0 20.0 -5.3 22.3 27.1 28 30 A R G > S+ 0 0 16 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.761 71.9 64.5 -56.2 -33.4 -9.2 22.6 27.3 29 31 A H G > S+ 0 0 94 1,-0.3 3,-0.6 -8,-0.2 -1,-0.3 0.588 90.5 69.1 -66.1 -13.3 -9.1 20.6 30.6 30 32 A R G X + 0 0 45 -3,-2.0 3,-2.6 1,-0.2 6,-0.4 0.368 64.1 103.8 -81.7 2.9 -7.1 23.7 32.0 31 33 A Y G < S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.807 79.9 53.4 -60.0 -25.0 -10.2 25.9 31.8 32 34 A T G < S+ 0 0 22 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.3 0.551 91.4 91.9 -80.6 -8.6 -10.5 25.5 35.7 33 35 A D X> - 0 0 43 -3,-2.6 3,-1.3 1,-0.2 4,-1.0 -0.810 64.9-154.2 -98.3 116.8 -6.8 26.6 36.2 34 36 A L H 3> S+ 0 0 8 -2,-0.6 4,-2.0 523,-0.5 3,-0.3 0.881 95.6 62.7 -54.3 -41.1 -6.4 30.4 36.8 35 37 A N H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.771 94.3 60.6 -56.5 -30.7 -2.9 30.1 35.4 36 38 A Y H <> S+ 0 0 7 -3,-1.3 4,-3.0 -6,-0.4 -1,-0.2 0.959 107.8 45.4 -57.2 -51.2 -4.3 29.0 31.9 37 39 A W H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.902 114.5 45.2 -63.5 -45.4 -6.2 32.3 31.7 38 40 A T H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.916 114.5 48.9 -66.9 -42.9 -3.3 34.6 32.8 39 41 A E H X S+ 0 0 87 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.927 112.2 50.2 -61.9 -45.6 -0.8 32.7 30.5 40 42 A L H X S+ 0 0 7 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.951 110.1 48.9 -51.5 -53.2 -3.4 33.1 27.6 41 43 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 112.7 48.6 -56.6 -43.3 -3.8 36.8 28.3 42 44 A Q H X S+ 0 0 86 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 111.4 49.2 -64.3 -45.9 0.0 37.2 28.3 43 45 A L H X S+ 0 0 29 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.932 111.6 49.5 -54.4 -49.3 0.4 35.2 25.0 44 46 A L H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 -2,-0.2 0.866 110.3 49.5 -65.9 -38.2 -2.3 37.3 23.3 45 47 A E H ><5S+ 0 0 37 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 0.907 107.6 54.6 -67.4 -41.2 -0.7 40.6 24.4 46 48 A K H 3<5S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.909 109.8 48.2 -52.6 -45.0 2.6 39.3 23.1 47 49 A G T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.310 115.1-120.9 -77.1 7.0 0.8 38.7 19.7 48 50 A K T < 5 + 0 0 47 -3,-1.7 -3,-0.2 1,-0.2 -43,-0.2 0.668 48.3 173.1 59.8 24.1 -0.7 42.3 19.9 49 51 A F < - 0 0 0 -5,-2.5 49,-0.2 1,-0.1 -1,-0.2 -0.298 35.4-135.4 -56.4 141.9 -4.3 41.0 19.8 50 52 A D S S- 0 0 4 -45,-2.0 48,-2.3 1,-0.2 2,-0.3 0.941 74.2 -20.6 -56.2 -51.8 -7.0 43.7 20.3 51 53 A A E -bc 6 98A 0 -46,-1.0 -44,-2.8 46,-0.2 2,-0.6 -0.978 51.0-112.6-156.4 162.2 -9.0 41.5 22.8 52 54 A L E -bc 7 99A 0 46,-2.2 48,-2.7 -2,-0.3 2,-0.6 -0.961 36.4-155.8 -98.3 122.5 -10.0 38.2 24.3 53 55 A F E -bc 8 100A 2 -46,-3.4 -44,-3.1 -2,-0.6 2,-0.6 -0.905 6.9-160.8-108.2 112.2 -13.6 37.6 23.3 54 56 A L E -bc 9 101A 0 46,-3.2 48,-1.9 -2,-0.6 -44,-0.2 -0.860 1.2-158.2-101.3 116.5 -15.4 35.3 25.7 55 57 A A E -b 10 0A 16 -46,-2.9 -44,-0.6 -2,-0.6 2,-0.3 -0.297 17.3-174.0 -70.5 168.0 -18.6 33.6 24.6 56 58 A D - 0 0 25 -46,-0.1 2,-0.3 45,-0.1 47,-0.1 -0.967 18.6-172.0-161.9 154.6 -21.0 32.3 27.3 57 59 A V - 0 0 16 -2,-0.3 45,-0.0 20,-0.1 -2,-0.0 -0.981 14.2-172.4-143.7 146.9 -24.2 30.4 27.9 58 60 A V S S+ 0 0 10 -2,-0.3 2,-0.2 79,-0.1 -1,-0.1 0.277 74.7 77.1-111.9 0.8 -26.3 29.8 31.0 59 61 A G S S- 0 0 2 80,-0.1 2,-0.4 81,-0.1 -2,-0.1 -0.533 79.2-120.6-101.8 175.2 -28.4 27.2 29.2 60 62 A I - 0 0 3 -2,-0.2 2,-1.5 252,-0.0 79,-0.4 -0.906 19.4-117.8-124.6 142.5 -27.7 23.6 28.3 61 63 A Y + 0 0 10 15,-0.4 10,-0.5 -2,-0.4 11,-0.1 -0.659 60.9 137.8 -80.6 83.3 -27.5 22.0 24.9 62 64 A D + 0 0 46 -2,-1.5 6,-0.2 8,-0.1 -1,-0.2 -0.070 40.4 90.7-122.7 27.0 -30.3 19.5 25.5 63 65 A V > + 0 0 21 245,-0.3 3,-2.4 3,-0.2 2,-0.1 0.911 64.9 80.3 -91.5 -51.9 -32.1 19.7 22.2 64 66 A Y G > S- 0 0 15 244,-0.4 3,-1.3 1,-0.3 6,-0.3 -0.378 117.9 -2.3 -62.7 128.1 -30.3 17.0 20.2 65 67 A R G 3 S- 0 0 147 1,-0.2 -1,-0.3 -2,-0.1 4,-0.1 0.693 116.1 -88.2 54.2 24.4 -31.8 13.6 21.2 66 68 A Q G < S+ 0 0 124 -3,-2.4 2,-0.3 1,-0.1 -1,-0.2 0.646 105.0 87.5 60.2 19.3 -34.0 15.5 23.7 67 69 A S S < S- 0 0 35 -3,-1.3 3,-0.5 -6,-0.1 4,-0.3 -0.991 76.7-132.8-148.0 149.3 -31.4 15.2 26.4 68 70 A R S > S+ 0 0 34 -2,-0.3 4,-2.7 -6,-0.2 5,-0.2 0.531 84.5 100.4 -71.2 -10.2 -28.3 17.0 27.7 69 71 A D H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.819 79.2 47.0 -56.3 -39.7 -26.5 13.7 27.7 70 72 A T H > S+ 0 0 6 -3,-0.5 4,-2.6 -6,-0.3 6,-0.3 0.943 113.8 48.5 -63.2 -47.4 -24.6 14.1 24.5 71 73 A A H 4>S+ 0 0 0 -10,-0.5 5,-2.5 -4,-0.3 4,-0.4 0.919 113.7 48.2 -56.0 -44.2 -23.5 17.7 25.5 72 74 A V H ><5S+ 0 0 0 -4,-2.7 3,-1.1 3,-0.2 551,-0.7 0.957 114.7 44.3 -61.9 -50.7 -22.4 16.2 28.9 73 75 A R H 3<5S+ 0 0 85 -4,-2.7 549,-2.8 1,-0.3 -2,-0.2 0.854 121.1 38.8 -63.1 -38.9 -20.5 13.3 27.3 74 76 A E T 3<5S- 0 0 8 -4,-2.6 -55,-0.5 -5,-0.2 -1,-0.3 0.315 108.8-120.5 -95.2 5.1 -18.8 15.4 24.7 75 77 A A T < 5 + 0 0 0 -3,-1.1 -61,-2.0 -4,-0.4 2,-1.8 0.847 44.2 176.3 53.0 41.2 -18.2 18.5 27.0 76 78 A V B S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.823 89.3 63.6 -71.8 -34.0 -16.5 34.5 32.2 84 86 A L G > S+ 0 0 4 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.850 93.0 64.9 -60.2 -33.1 -16.6 37.8 34.3 85 87 A M G 3 S+ 0 0 2 -3,-0.3 437,-0.4 1,-0.2 4,-0.4 0.769 98.3 56.2 -58.6 -25.1 -14.7 36.0 37.2 86 88 A L G <> S+ 0 0 0 -3,-1.2 4,-1.5 -4,-0.3 -1,-0.2 0.686 87.4 81.3 -76.2 -25.8 -11.6 35.7 34.8 87 89 A I H <> S+ 0 0 0 -3,-1.3 4,-2.9 -4,-0.4 5,-0.3 0.873 82.2 52.5 -67.2 -46.0 -11.2 39.3 34.0 88 90 A S H > S+ 0 0 0 -4,-0.5 4,-2.1 431,-0.3 -1,-0.2 0.895 110.9 47.8 -60.6 -43.5 -9.3 40.8 36.9 89 91 A A H > S+ 0 0 0 -4,-0.4 4,-1.4 -3,-0.2 -1,-0.2 0.904 115.2 46.0 -59.7 -43.7 -6.4 38.3 36.9 90 92 A M H < S+ 0 0 0 -4,-1.5 4,-0.2 1,-0.2 -2,-0.2 0.879 112.7 49.6 -68.3 -39.9 -6.0 38.6 33.1 91 93 A A H >< S+ 0 0 2 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.836 105.5 59.9 -63.5 -35.4 -6.2 42.4 33.3 92 94 A Y H 3< S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.898 107.8 43.3 -62.1 -39.5 -3.5 42.3 36.1 93 95 A V T 3< S+ 0 0 29 -4,-1.4 2,-0.3 -3,-0.1 -1,-0.2 0.317 111.3 64.5 -91.8 5.9 -0.9 40.6 33.8 94 96 A T < - 0 0 14 -3,-1.0 -52,-0.1 -4,-0.2 -53,-0.0 -0.940 53.0-164.9-132.6 154.6 -1.6 42.8 30.7 95 97 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.758 89.9 6.6-100.3 -36.4 -1.2 46.5 29.8 96 98 A H S S+ 0 0 16 2,-0.1 310,-0.1 -47,-0.1 -5,-0.0 0.622 88.1 115.8-126.4 -30.8 -3.3 46.8 26.6 97 99 A L - 0 0 0 -7,-0.1 -46,-0.2 -56,-0.1 2,-0.2 -0.256 53.0-149.8 -50.5 128.8 -5.2 43.6 25.9 98 100 A A E -c 51 0A 0 -48,-2.3 -46,-2.2 -49,-0.2 2,-0.4 -0.536 0.9-137.7 -98.8 172.4 -9.0 44.3 26.1 99 101 A F E -cd 52 128A 0 28,-2.4 30,-2.3 -48,-0.2 2,-0.5 -0.988 9.5-166.1-139.6 120.3 -11.8 41.8 27.2 100 102 A A E -cd 53 129A 0 -48,-2.7 -46,-3.2 -2,-0.4 2,-0.5 -0.965 14.3-165.0-108.6 125.6 -15.2 41.4 25.6 101 103 A V E -cd 54 130A 0 28,-2.2 30,-2.4 -2,-0.5 2,-0.3 -0.936 15.2-135.6-116.1 127.2 -17.6 39.3 27.8 102 104 A T E + d 0 131A 6 -48,-1.9 2,-0.3 -2,-0.5 30,-0.2 -0.660 33.4 166.1 -77.3 133.5 -20.8 37.8 26.6 103 105 A F E - d 0 132A 10 28,-2.0 30,-1.1 -2,-0.3 2,-0.2 -0.936 30.1-123.2-155.5 128.9 -23.6 38.4 29.0 104 106 A S E - d 0 133A 12 -2,-0.3 4,-0.5 28,-0.2 3,-0.3 -0.516 4.7-154.9 -80.3 139.0 -27.4 37.9 28.5 105 107 A T S S+ 0 0 2 28,-2.2 29,-0.1 -2,-0.2 -1,-0.1 0.457 83.8 76.8 -77.5 -4.4 -30.1 40.6 28.9 106 108 A T S S+ 0 0 15 27,-0.2 -1,-0.2 1,-0.1 44,-0.1 0.814 100.4 21.0 -88.6 -29.8 -32.7 37.9 29.5 107 109 A Y S S+ 0 0 30 -3,-0.3 2,-0.3 1,-0.1 -2,-0.1 0.869 104.0 58.4-111.6 -50.7 -32.2 36.7 33.1 108 110 A E S S- 0 0 28 -4,-0.5 -1,-0.1 1,-0.1 434,-0.1 -0.671 83.9 -98.9-104.2 145.7 -30.3 38.9 35.6 109 111 A H >> - 0 0 37 -2,-0.3 4,-1.6 432,-0.1 3,-0.6 -0.203 22.3-132.2 -65.5 138.7 -31.3 42.5 36.6 110 112 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.719 100.5 66.0 -58.6 -24.9 -29.5 45.4 34.9 111 113 A Y H 3> S+ 0 0 2 466,-0.3 4,-1.4 2,-0.2 100,-0.2 0.907 106.3 42.1 -69.0 -37.9 -28.7 47.2 38.2 112 114 A G H <> S+ 0 0 6 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.884 115.6 50.3 -72.9 -41.6 -26.3 44.4 39.3 113 115 A H H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.865 105.9 56.0 -59.9 -40.7 -24.9 44.2 35.8 114 116 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.931 109.0 45.7 -63.0 -43.8 -24.3 47.9 35.6 115 117 A R H X S+ 0 0 7 -4,-1.4 4,-2.2 2,-0.2 401,-0.5 0.890 112.1 52.6 -63.9 -42.8 -22.2 47.9 38.8 116 118 A R H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 113.1 43.2 -58.1 -47.4 -20.2 44.8 37.6 117 119 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.874 113.3 50.8 -68.8 -41.0 -19.3 46.4 34.3 118 120 A S H X S+ 0 0 3 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.898 110.0 52.7 -60.3 -39.1 -18.5 49.7 35.9 119 121 A T H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.941 112.0 43.3 -63.1 -48.7 -16.2 47.8 38.3 120 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 7,-0.3 0.863 109.2 58.0 -66.1 -36.4 -14.4 46.0 35.5 121 123 A D H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.886 114.0 39.3 -60.1 -40.7 -14.1 49.3 33.6 122 124 A H H ><5S+ 0 0 9 -4,-2.0 3,-1.3 3,-0.2 346,-0.3 0.953 117.7 46.9 -64.7 -56.3 -12.3 50.8 36.6 123 125 A L H 3<5S+ 0 0 5 -4,-3.1 345,-0.5 1,-0.3 -2,-0.2 0.911 119.1 40.9 -61.1 -40.4 -10.2 47.6 37.4 124 126 A T T 3<5S- 0 0 0 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.465 108.7-124.1 -83.8 -3.7 -9.2 47.2 33.7 125 127 A K T < 5S- 0 0 100 -3,-1.3 -3,-0.2 341,-0.2 -4,-0.1 0.933 79.5 -36.0 56.5 45.1 -8.6 50.9 33.2 126 128 A G S > - 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0 0 0 -4,-1.5 -16,-0.2 -5,-0.5 3,-0.1 -0.338 33.3-176.2 -71.0 134.5 -23.6 48.0 18.6 240 242 A E S S+ 0 0 2 -18,-2.6 34,-3.1 1,-0.3 2,-0.4 0.702 87.4 27.0 -86.7 -28.7 -20.2 49.6 18.2 241 243 A C E S-fg 223 274A 0 -19,-2.0 -17,-1.6 32,-0.2 2,-0.5 -0.998 73.6-157.7-135.1 136.6 -18.8 46.2 17.0 242 244 A V E -fg 224 275A 0 32,-2.8 34,-3.0 -2,-0.4 2,-0.8 -0.940 8.9-151.0-118.2 128.6 -20.8 43.4 15.3 243 245 A F E -fg 225 276A 20 -19,-2.8 -17,-0.5 -2,-0.5 2,-0.2 -0.883 29.0-163.9 -97.1 104.3 -19.8 39.7 15.3 244 246 A L E - g 0 277A 1 32,-2.8 34,-0.6 -2,-0.8 2,-0.3 -0.586 16.4-131.6 -91.5 146.5 -21.3 38.4 12.0 245 247 A G + 0 0 8 -2,-0.2 102,-0.1 32,-0.1 2,-0.1 -0.658 57.5 96.1 -84.8 154.1 -21.9 34.9 10.8 246 248 A G B -o 347 0G 0 100,-2.5 102,-0.6 -2,-0.3 32,-0.4 -0.295 50.2-147.7 131.9 144.1 -20.7 34.1 7.2 247 249 A K S S+ 0 0 60 100,-0.2 2,-0.3 -2,-0.1 102,-0.2 0.289 74.2 48.3-123.5 4.5 -17.7 32.5 5.5 248 250 A D S > S- 0 0 53 1,-0.1 4,-2.2 100,-0.1 5,-0.3 -0.923 82.8-104.7-143.3 171.2 -17.4 34.3 2.2 249 251 A V H > S+ 0 0 25 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.940 113.9 53.5 -64.2 -47.6 -17.4 37.8 0.7 250 252 A E H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 114.8 40.6 -56.7 -44.3 -20.9 37.7 -0.8 251 253 A T H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.952 118.5 44.4 -70.5 -53.1 -22.6 36.8 2.6 252 254 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.885 112.8 52.2 -60.7 -39.7 -20.5 39.0 4.8 253 255 A K H X S+ 0 0 84 -4,-3.3 4,-2.7 -5,-0.3 -1,-0.2 0.897 107.6 52.6 -65.6 -39.6 -20.8 42.0 2.5 254 256 A F H X S+ 0 0 118 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.897 113.3 43.2 -58.5 -46.7 -24.5 41.6 2.4 255 257 A F H X S+ 0 0 27 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.887 112.5 51.5 -72.7 -37.6 -24.7 41.7 6.2 256 258 A V H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.957 115.2 43.5 -59.2 -50.3 -22.2 44.5 6.6 257 259 A D H X S+ 0 0 73 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.895 111.9 54.5 -65.6 -38.0 -24.2 46.6 4.1 258 260 A D H X S+ 0 0 32 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.935 110.8 43.9 -63.5 -49.3 -27.6 45.6 5.7 259 261 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.903 111.4 53.4 -64.2 -42.9 -26.6 46.7 9.2 260 262 A R H X S+ 0 0 69 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.909 110.6 48.0 -61.1 -36.5 -25.0 50.0 7.9 261 263 A K H >< S+ 0 0 62 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.930 109.7 52.3 -66.6 -44.4 -28.3 50.8 6.1 262 264 A R H 3< S+ 0 0 34 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.777 100.8 63.6 -61.6 -28.0 -30.4 49.9 9.2 263 265 A A H ><>S+ 0 0 0 -4,-1.6 5,-1.6 1,-0.2 3,-1.3 0.762 85.6 73.8 -69.1 -26.8 -28.2 52.3 11.3 264 266 A K G X<5S+ 0 0 134 -3,-1.0 3,-2.4 -4,-0.7 -1,-0.2 0.886 87.9 58.3 -59.4 -42.8 -29.2 55.5 9.4 265 267 A K G 3 5S+ 0 0 129 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.680 104.1 54.3 -63.0 -20.3 -32.8 55.7 10.9 266 268 A Y G < 5S- 0 0 55 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.389 119.4-112.4 -91.7 2.8 -31.2 55.9 14.4 267 269 A G T < 5 + 0 0 54 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.661 67.7 148.1 79.1 18.1 -29.1 58.8 13.2 268 270 A R < - 0 0 8 -5,-1.6 -1,-0.3 -32,-0.1 -2,-0.1 -0.682 53.8-125.0 -92.7 137.8 -25.8 56.8 13.5 269 271 A N > - 0 0 63 -2,-0.3 3,-2.5 1,-0.1 -1,-0.0 -0.685 21.4-143.3 -72.9 118.0 -22.8 57.2 11.3 270 272 A P G > S+ 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.757 97.8 67.9 -61.9 -23.0 -22.3 53.7 9.9 271 273 A D G 3 S+ 0 0 103 1,-0.3 -2,-0.1 -11,-0.1 -11,-0.0 0.475 86.6 71.3 -70.6 -2.3 -18.5 54.1 10.1 272 274 A H G < S+ 0 0 52 -3,-2.5 2,-0.4 2,-0.0 -1,-0.3 0.241 87.5 75.6 -96.4 9.8 -19.1 54.1 13.9 273 275 A I S < S- 0 0 2 -3,-1.5 2,-0.3 -5,-0.0 -32,-0.2 -0.993 71.4-153.0-120.2 124.0 -19.8 50.4 13.7 274 276 A K E -g 241 0A 39 -34,-3.1 -32,-2.8 -2,-0.4 2,-0.5 -0.768 10.8-141.7 -94.8 141.4 -17.0 47.9 13.2 275 277 A M E -g 242 0A 0 -2,-0.3 96,-3.3 94,-0.2 97,-1.5 -0.918 15.9-168.8-111.0 126.5 -17.7 44.5 11.5 276 278 A F E -gh 243 372A 0 -34,-3.0 -32,-2.8 -2,-0.5 2,-0.3 -0.940 2.0-164.3-117.5 130.8 -16.0 41.3 12.7 277 279 A A E -gh 244 373A 1 95,-2.1 97,-2.8 -2,-0.4 2,-0.2 -0.790 23.5-117.0-104.8 156.0 -16.1 37.9 11.0 278 280 A G E + h 0 374A 0 -34,-0.6 70,-1.0 -32,-0.4 2,-0.3 -0.631 35.6 178.9 -82.4 153.0 -15.2 34.6 12.5 279 281 A I E -ih 348 375A 1 95,-1.8 97,-2.7 -2,-0.2 2,-0.4 -0.953 21.7-154.0-153.0 138.9 -12.1 32.7 11.0 280 282 A C E -ih 349 376A 5 68,-3.0 70,-3.2 -2,-0.3 2,-0.5 -0.958 20.0-162.2-108.4 132.8 -10.4 29.5 11.8 281 283 A V E +i 350 0A 6 95,-0.6 2,-0.5 -2,-0.4 97,-0.2 -0.971 17.8 180.0-122.4 128.2 -6.7 29.4 10.8 282 284 A I E +i 351 0A 3 68,-2.8 70,-2.4 -2,-0.5 2,-0.3 -0.962 25.1 178.4-124.1 110.5 -4.5 26.4 10.3 283 285 A V E +i 352 0A 1 -2,-0.5 2,-0.3 68,-0.2 70,-0.2 -0.858 14.3 166.2-122.5 145.5 -1.1 27.6 9.4 284 286 A G - 0 0 0 68,-1.9 -2,-0.0 -2,-0.3 6,-0.0 -0.960 48.6-107.4-145.7 168.0 2.3 26.1 8.6 285 287 A K S S+ 0 0 143 -2,-0.3 2,-0.3 68,-0.2 68,-0.1 0.796 109.8 23.4 -65.7 -26.1 5.7 27.2 7.0 286 288 A T S > S- 0 0 69 66,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.899 88.7-109.2-134.5 161.2 4.7 25.0 4.0 287 289 A H H > S+ 0 0 95 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.916 118.5 55.7 -56.8 -44.6 1.4 23.8 2.6 288 290 A D H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 105.2 53.0 -57.2 -42.3 2.2 20.2 3.7 289 291 A E H > S+ 0 0 75 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.934 111.0 46.4 -55.6 -49.9 2.7 21.4 7.3 290 292 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.925 112.6 49.5 -56.9 -47.6 -0.7 23.1 7.3 291 293 A M H X S+ 0 0 68 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.859 105.8 57.7 -67.1 -31.3 -2.4 20.1 5.8 292 294 A E H X S+ 0 0 146 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.895 108.5 45.3 -65.3 -39.4 -0.7 17.8 8.4 293 295 A K H X S+ 0 0 49 -4,-1.5 4,-2.3 -3,-0.3 5,-0.2 0.934 112.1 52.9 -66.0 -47.7 -2.4 19.8 11.2 294 296 A L H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.893 109.0 48.0 -52.8 -46.7 -5.7 19.8 9.3 295 297 A N H X S+ 0 0 82 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.853 110.6 53.0 -68.3 -34.4 -5.6 16.0 9.0 296 298 A S H X S+ 0 0 44 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.906 111.0 45.1 -63.8 -44.6 -4.8 15.6 12.7 297 299 A F H >X S+ 0 0 14 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.842 106.2 60.7 -70.1 -34.6 -7.7 17.8 13.9 298 300 A Q H >< S+ 0 0 69 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.895 96.8 60.1 -61.1 -41.1 -10.1 16.0 11.5 299 301 A K H 3< S+ 0 0 159 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.8 41.6 -51.4 -37.6 -9.4 12.7 13.2 300 302 A Y H << S+ 0 0 34 -4,-0.7 -1,-0.2 -3,-0.6 2,-0.2 0.513 81.5 121.5 -91.9 -6.9 -10.7 14.2 16.5 301 303 A W << - 0 0 20 -3,-1.1 2,-0.8 -4,-0.7 -282,-0.2 -0.448 55.1-147.5 -65.1 121.7 -13.7 16.1 15.1 302 304 A S > - 0 0 9 -284,-2.5 4,-2.3 -2,-0.2 3,-0.2 -0.834 15.1-167.8-102.6 104.4 -16.7 14.7 16.9 303 305 A L H > S+ 0 0 46 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.871 89.9 54.4 -51.3 -43.0 -19.9 14.6 14.8 304 306 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 106.8 49.7 -65.3 -41.0 -22.0 13.8 17.9 305 307 A G H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 111.7 49.8 -60.7 -46.1 -20.7 16.9 19.8 306 308 A H H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.889 106.8 54.4 -60.8 -38.7 -21.4 19.0 16.7 307 309 A L H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 11,-0.2 0.908 108.2 50.0 -59.3 -41.5 -25.0 17.6 16.5 308 310 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -244,-0.4 0.930 112.4 47.2 -61.1 -43.5 -25.5 18.6 20.1 309 311 A H H X S+ 0 0 28 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.922 111.3 50.7 -64.6 -47.1 -24.2 22.2 19.4 310 312 A Y H X>S+ 0 0 56 -4,-2.7 4,-2.8 2,-0.2 5,-0.5 0.885 108.2 54.2 -56.1 -45.4 -26.4 22.5 16.3 311 313 A G H X5S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.950 112.8 40.2 -56.4 -56.3 -29.5 21.4 18.2 312 314 A G H <5S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 119.5 47.4 -57.4 -46.3 -29.1 24.0 20.9 313 315 A G H <5S+ 0 0 41 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.850 128.0 22.6 -66.4 -37.4 -28.1 26.7 18.4 314 316 A T H <5S- 0 0 65 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.701 94.6-125.3-102.4 -27.3 -30.9 26.0 15.8 315 317 A G S < - 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0 0 42 -2,-0.3 4,-2.4 -70,-0.2 5,-0.2 -0.377 66.9-103.8 -80.5 165.2 1.2 29.2 4.7 354 356 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.816 121.4 57.5 -59.7 -34.2 1.2 32.7 6.4 355 357 A K H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.952 110.3 44.3 -59.3 -48.8 1.2 34.4 3.0 356 358 A K H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 112.9 49.6 -60.4 -48.8 -2.0 32.6 2.0 357 359 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.938 113.8 46.6 -57.4 -47.6 -3.8 33.1 5.4 358 360 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.901 110.2 53.2 -60.8 -45.5 -3.0 36.8 5.2 359 361 A D H X S+ 0 0 54 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.925 112.1 45.1 -51.3 -48.1 -4.1 37.0 1.6 360 362 A E H X S+ 0 0 48 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.893 114.2 48.3 -70.3 -38.8 -7.5 35.5 2.5 361 363 A M H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.939 112.6 48.7 -60.7 -48.3 -7.9 37.7 5.5 362 364 A Q H X S+ 0 0 47 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.874 106.9 57.2 -60.7 -37.1 -7.0 40.7 3.5 363 365 A Y H X S+ 0 0 142 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.929 108.3 45.7 -62.3 -47.3 -9.5 39.7 0.8 364 366 A L H X>S+ 0 0 6 -4,-1.8 4,-2.5 2,-0.2 6,-1.1 0.939 114.5 48.8 -61.1 -46.9 -12.4 39.6 3.2 365 367 A V H X5S+ 0 0 33 -4,-2.2 4,-1.0 4,-0.2 5,-0.2 0.955 119.6 36.4 -55.1 -54.0 -11.4 43.0 4.7 366 368 A E H <5S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.832 127.9 32.9 -74.9 -34.2 -11.0 44.7 1.3 367 369 A E H <5S+ 0 0 99 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.769 126.7 35.1 -98.3 -28.8 -13.9 43.1 -0.6 368 370 A A H <5S- 0 0 2 -4,-2.5 -112,-0.2 -5,-0.4 -3,-0.2 0.539 101.5-120.4 -98.9 -9.0 -16.5 42.5 2.2 369 371 A G << + 0 0 37 -4,-1.0 -94,-0.2 -5,-0.5 2,-0.2 0.776 54.8 159.0 72.9 28.6 -15.8 45.6 4.3 370 372 A I - 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