==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-OCT-10 3P6Q . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,E.C GLAZER,D.B.GOODIN . 401 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.1 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 8.0 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 0 2 0 0 3 0 2 0 1 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 0 198 0, 0.0 2,-0.5 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 26.5 22.0 -37.7 -31.3 2 11 A L - 0 0 89 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.885 360.0-139.1 -96.4 129.7 24.1 -34.6 -31.7 3 12 A A - 0 0 27 45,-2.4 49,-0.0 -2,-0.5 46,-0.0 -0.678 36.1 -93.4 -83.1 140.6 23.2 -32.5 -34.8 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.309 48.8-101.1 -59.3 137.4 26.2 -31.0 -36.6 5 14 A L - 0 0 51 1,-0.1 6,-0.1 2,-0.1 43,-0.1 -0.389 35.0-120.1 -61.3 120.9 27.1 -27.5 -35.3 6 15 A P > - 0 0 34 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.381 23.0-119.5 -59.3 141.8 25.8 -24.8 -37.7 7 16 A P T 3 S+ 0 0 137 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.749 109.6 61.0 -58.5 -30.2 28.8 -22.7 -39.0 8 17 A H T 3 S+ 0 0 53 2,-0.1 291,-0.2 1,-0.0 -3,-0.0 0.624 88.6 85.8 -71.2 -12.2 27.4 -19.4 -37.5 9 18 A V S < S- 0 0 6 -3,-1.9 2,-0.2 289,-0.1 5,-0.1 -0.809 79.2-132.7 -95.6 119.3 27.6 -20.8 -34.0 10 19 A P > - 0 0 47 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.468 12.8-128.8 -73.9 142.6 30.9 -20.4 -32.3 11 20 A E G > S+ 0 0 163 1,-0.3 3,-2.1 2,-0.2 35,-0.1 0.809 103.6 67.5 -58.8 -33.4 32.3 -23.5 -30.5 12 21 A H G 3 S+ 0 0 143 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.642 98.2 54.5 -66.5 -13.1 32.9 -21.7 -27.3 13 22 A L G < S+ 0 0 12 -3,-1.9 33,-2.5 32,-0.1 2,-0.6 0.427 82.0 115.0 -96.5 3.3 29.1 -21.4 -26.9 14 23 A V B < +a 46 0A 31 -3,-2.1 2,-0.4 31,-0.2 33,-0.2 -0.627 28.1 159.5 -88.5 118.4 28.4 -25.1 -27.2 15 24 A F - 0 0 60 31,-2.6 2,-2.4 -2,-0.6 30,-0.1 -0.940 34.0-142.1-133.3 113.1 26.9 -26.9 -24.2 16 25 A D + 0 0 62 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.312 34.7 165.0 -80.9 61.5 25.1 -30.1 -25.1 17 26 A F - 0 0 18 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.597 27.0-149.6 -72.7 130.1 22.2 -29.9 -22.6 18 27 A D > - 0 0 44 -2,-0.3 3,-1.7 3,-0.2 -2,-0.1 -0.888 4.3-162.1-105.4 106.2 19.4 -32.4 -23.3 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.708 93.4 46.7 -61.1 -19.9 16.1 -30.8 -22.1 20 29 A Y T 3 S+ 0 0 87 1,-0.2 361,-0.4 -3,-0.1 -1,-0.3 0.500 128.7 22.0 -97.2 -7.6 14.5 -34.3 -22.3 21 30 A N S < S- 0 0 109 -3,-1.7 -3,-0.2 359,-0.1 -1,-0.2 -0.271 74.2-176.2-155.9 58.6 17.3 -36.1 -20.5 22 31 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 11,-0.1 -0.368 30.7-127.0 -67.6 143.3 19.5 -33.7 -18.3 23 32 A S T 3 S+ 0 0 115 1,-0.3 3,-0.3 9,-0.1 9,-0.0 0.741 104.5 52.1 -67.9 -23.3 22.4 -35.6 -16.8 24 33 A N T > S+ 0 0 76 8,-0.2 3,-2.1 1,-0.2 4,-0.3 0.148 70.8 124.2 -97.3 23.1 21.8 -34.5 -13.2 25 34 A L G X + 0 0 35 -3,-1.5 3,-2.5 1,-0.3 -1,-0.2 0.826 63.4 63.5 -53.4 -39.2 18.1 -35.6 -13.2 26 35 A S G 3 S+ 0 0 132 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.692 96.3 60.8 -64.1 -18.0 18.4 -37.9 -10.2 27 36 A A G < S- 0 0 62 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.543 129.5 -78.7 -79.4 -10.5 19.3 -34.8 -8.1 28 37 A G <> - 0 0 10 -3,-2.5 4,-2.1 -4,-0.3 -1,-0.3 -0.221 41.6 -96.2 116.8 149.1 15.8 -33.3 -8.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 120.9 47.3 -68.3 -44.6 14.7 -31.6 -12.1 30 39 A Q H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 114.0 49.4 -64.5 -39.8 15.2 -27.9 -11.1 31 40 A E H > S+ 0 0 65 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.907 109.7 52.6 -61.9 -40.9 18.7 -28.8 -9.8 32 41 A A H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.881 112.0 44.1 -64.2 -40.7 19.4 -30.6 -13.1 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.807 100.0 70.7 -74.6 -29.1 18.5 -27.6 -15.1 34 43 A A H >< S+ 0 0 21 -4,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.636 75.9 81.6 -65.9 -12.9 20.4 -25.2 -12.8 35 44 A V G X< S+ 0 0 30 -3,-0.7 3,-1.7 -4,-0.5 -1,-0.3 0.828 81.5 67.2 -56.1 -30.2 23.7 -26.6 -14.1 36 45 A L G < S+ 0 0 5 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.621 97.2 54.3 -62.4 -13.7 23.0 -24.2 -17.0 37 46 A Q G < S+ 0 0 27 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.282 75.9 123.8-109.7 9.9 23.6 -21.4 -14.5 38 47 A E S X S- 0 0 104 -3,-1.7 3,-2.1 1,-0.1 -3,-0.0 -0.348 77.1-107.6 -66.4 153.4 27.0 -22.5 -13.3 39 48 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.645 115.9 59.2 -69.4 -16.1 29.6 -19.7 -13.7 40 49 A N T 3 S+ 0 0 106 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.420 90.0 90.7 -84.7 -1.4 31.5 -21.4 -16.6 41 50 A V S < S- 0 0 12 -3,-2.1 4,-0.1 -6,-0.1 -28,-0.1 -0.880 77.9-128.9-103.5 120.7 28.2 -21.3 -18.6 42 51 A P - 0 0 40 0, 0.0 15,-0.1 0, 0.0 3,-0.1 -0.100 25.4-108.2 -57.7 159.5 27.5 -18.3 -20.8 43 52 A D S S+ 0 0 51 1,-0.2 14,-2.7 13,-0.1 15,-0.7 0.692 111.5 32.7 -60.3 -23.2 24.1 -16.4 -20.6 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.984 76.8 171.2-142.8 120.2 23.3 -17.9 -24.0 45 54 A V E - B 0 55A 0 10,-2.3 10,-2.4 -2,-0.4 2,-0.5 -0.850 27.1-130.3-126.6 163.2 24.5 -21.3 -25.2 46 55 A W E -aB 14 54A 9 -33,-2.5 -31,-2.6 -2,-0.3 2,-0.4 -0.965 18.4-162.0-111.3 130.4 23.9 -23.7 -28.2 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.0 -2,-0.5 -31,-0.2 -0.907 15.1-152.1-106.2 144.8 23.1 -27.3 -27.5 48 57 A R > + 0 0 77 -2,-0.4 -45,-2.4 4,-0.2 3,-0.5 0.497 67.7 104.1 -88.5 -4.7 23.5 -29.9 -30.3 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.3 1,-0.2 -2,-0.1 -0.322 77.0 18.8 -69.7 156.6 20.8 -32.0 -28.7 50 59 A N G 3 S- 0 0 34 -49,-0.4 -1,-0.2 1,-0.3 31,-0.2 0.819 141.9 -44.2 55.6 40.6 17.2 -32.2 -30.0 51 60 A G G < S- 0 0 62 -3,-0.5 -1,-0.3 -50,-0.3 -2,-0.1 0.165 105.4 -75.4 93.9 -16.9 18.0 -30.9 -33.5 52 61 A G < + 0 0 6 -3,-2.3 253,-0.3 1,-0.1 2,-0.3 0.423 65.8 163.3 94.7 127.0 20.2 -28.1 -32.2 53 62 A H E -B 47 0A 0 -6,-2.0 -6,-2.7 251,-0.1 253,-0.2 -0.980 36.6 -98.8-168.0 153.7 19.0 -24.9 -30.6 54 63 A W E -Bc 46 306A 0 251,-2.6 253,-2.7 -2,-0.3 2,-0.3 -0.388 28.9-157.7 -69.3 157.2 20.0 -21.9 -28.4 55 64 A I E -Bc 45 307A 0 -10,-2.4 -10,-2.3 251,-0.2 2,-0.5 -0.967 8.7-148.7-135.3 126.2 19.2 -21.8 -24.7 56 65 A A E -B 44 0A 0 251,-2.1 -12,-0.2 -2,-0.3 256,-0.1 -0.855 16.1-172.9 -87.7 129.5 19.0 -18.5 -22.7 57 66 A T + 0 0 0 -14,-2.7 2,-0.3 -2,-0.5 -13,-0.1 0.553 54.3 62.5-106.1 -12.3 20.2 -19.5 -19.2 58 67 A R S > S- 0 0 16 -15,-0.7 4,-2.1 1,-0.1 3,-0.5 -0.899 80.0-118.0-123.5 150.1 19.6 -16.3 -17.1 59 68 A G H > S+ 0 0 0 254,-0.3 4,-2.8 -2,-0.3 5,-0.3 0.842 108.6 58.1 -50.6 -44.3 16.4 -14.4 -16.2 60 69 A Q H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 112.1 38.3 -55.8 -50.1 17.4 -11.2 -17.9 61 70 A L H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.851 114.9 54.2 -71.8 -37.7 17.8 -12.7 -21.4 62 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 113.2 43.1 -59.8 -49.5 14.8 -15.0 -20.9 63 72 A R H X S+ 0 0 55 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.937 114.4 50.5 -60.8 -50.1 12.6 -12.0 -20.0 64 73 A E H X S+ 0 0 62 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.915 111.9 47.0 -57.2 -45.4 14.0 -9.9 -22.9 65 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.891 110.7 51.2 -67.2 -38.7 13.5 -12.6 -25.5 66 75 A Y H < S+ 0 0 6 -4,-2.1 276,-0.4 1,-0.2 -1,-0.2 0.815 111.1 50.4 -65.7 -30.3 9.9 -13.2 -24.3 67 76 A E H < S+ 0 0 107 -4,-1.8 2,-1.4 1,-0.2 -1,-0.2 0.838 100.4 67.4 -71.4 -37.6 9.2 -9.5 -24.6 68 77 A D >X + 0 0 39 -4,-1.7 4,-2.8 1,-0.2 3,-0.8 -0.525 52.9 156.4 -91.8 73.1 10.6 -9.2 -28.1 69 78 A Y T 34 + 0 0 66 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.691 67.3 70.8 -72.0 -16.7 8.1 -11.2 -30.2 70 79 A R T 34 S+ 0 0 190 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.868 116.5 22.1 -67.6 -35.6 9.1 -9.3 -33.3 71 80 A H T <4 S+ 0 0 50 -3,-0.8 219,-2.2 1,-0.2 2,-0.8 0.758 127.4 50.9 -92.2 -37.0 12.5 -11.2 -33.2 72 81 A F E < S-D 289 0A 0 -4,-2.8 217,-0.2 -7,-0.3 -1,-0.2 -0.837 81.3-162.9-111.3 92.5 11.4 -14.3 -31.2 73 82 A S E > -D 288 0A 4 215,-3.0 215,-2.1 -2,-0.8 3,-0.6 -0.491 24.7-147.1 -83.9 144.1 8.3 -15.7 -32.7 74 83 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.1 213,-0.2 212,-0.1 0.389 76.6 102.0 -83.3 1.5 5.8 -18.1 -31.2 75 84 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.2 213,-0.2 15,-0.1 0.812 96.5 26.2 -56.6 -30.5 5.1 -19.7 -34.6 76 85 A C S < S+ 0 0 38 -3,-0.6 -1,-0.3 1,-0.1 5,-0.0 -0.766 74.5 160.4-130.2 86.8 7.4 -22.6 -33.5 77 86 A P + 0 0 10 0, 0.0 209,-2.4 0, 0.0 2,-0.4 0.519 50.8 71.9 -90.8 -2.9 7.3 -22.7 -29.7 78 87 A F S S- 0 0 33 207,-0.2 207,-0.1 3,-0.2 229,-0.0 -0.903 78.5-110.7-118.1 139.7 8.5 -26.3 -29.1 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.1 2,-0.1 -28,-0.1 -0.945 98.1 42.9-104.5 133.0 11.9 -27.9 -29.4 80 89 A P S S- 0 0 42 0, 0.0 -29,-0.1 0, 0.0 -2,-0.1 0.592 90.7-126.1 -77.6 166.4 12.4 -29.9 -31.5 81 90 A R 0 0 121 -31,-0.2 -3,-0.2 -2,-0.1 -2,-0.1 0.734 360.0 360.0 -42.4 -37.9 10.7 -28.3 -34.5 82 91 A E 0 0 196 0, 0.0 -4,-0.1 0, 0.0 0, 0.0 0.149 360.0 360.0 -69.3 360.0 8.6 -31.4 -35.3 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 96 A Y 0 0 110 0, 0.0 98,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 98.6 0.2 -28.9 -32.5 85 97 A D + 0 0 49 2,-0.1 143,-0.1 4,-0.0 2,-0.1 0.037 360.0 144.9-114.4 25.8 -2.4 -26.4 -33.6 86 98 A F > - 0 0 1 145,-0.1 4,-1.0 2,-0.1 143,-0.2 -0.368 48.0-100.7 -66.6 145.2 -3.7 -25.0 -30.3 87 99 A I T 4 S+ 0 0 2 141,-1.0 145,-0.3 1,-0.2 -2,-0.1 -0.931 91.0 5.1-115.8 139.5 -4.6 -21.3 -30.1 88 100 A P T >4 S+ 0 0 10 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 -0.944 107.8 85.3 -95.5 14.2 -3.3 -18.8 -29.1 89 101 A T T 34 S+ 0 0 19 1,-0.3 -2,-0.2 254,-0.0 -4,-0.0 0.769 98.3 38.1 -43.0 -46.4 0.0 -20.7 -28.3 90 102 A S T 3< S+ 0 0 27 -4,-1.0 2,-0.4 -15,-0.1 -1,-0.3 0.164 98.9 96.6-101.1 18.3 1.5 -20.4 -31.7 91 103 A M < - 0 0 12 -3,-2.5 -4,-0.0 5,-0.1 0, 0.0 -0.848 54.9-154.3-109.4 145.2 0.3 -16.9 -32.6 92 104 A D > - 0 0 29 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.716 43.0 -56.1-101.4 160.3 2.1 -13.6 -32.4 93 105 A P T 4 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.454 115.7 35.7 -60.4 150.0 0.5 -10.2 -32.0 94 106 A P T >> S+ 0 0 104 0, 0.0 3,-0.9 0, 0.0 4,-0.7 -0.967 127.0 38.8 -82.6 -21.1 -1.6 -8.8 -33.6 95 107 A E H >> S+ 0 0 114 -3,-0.3 4,-0.8 1,-0.2 3,-0.6 0.881 114.1 58.6 -54.4 -40.6 -3.5 -12.0 -34.5 96 108 A Q H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.823 91.4 67.3 -57.4 -38.2 -2.9 -13.4 -31.0 97 109 A R H <> S+ 0 0 135 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.837 96.6 53.0 -62.8 -36.3 -4.7 -10.6 -29.1 98 110 A Q H < S+ 0 0 19 -4,-1.6 3,-1.2 2,-0.2 4,-0.5 0.939 111.0 48.1 -66.8 -48.6 -11.7 -14.4 -25.8 103 115 A A H >X S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.3 4,-1.2 0.890 104.1 62.6 -62.4 -36.3 -10.0 -17.1 -23.7 104 116 A N H 3X S+ 0 0 67 -4,-2.5 4,-1.6 1,-0.3 -1,-0.3 0.762 93.0 64.4 -57.6 -24.7 -9.6 -14.6 -20.9 105 117 A Q H << S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.745 107.1 43.0 -68.6 -22.6 -13.4 -14.4 -20.7 106 118 A V H <4 S+ 0 0 3 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.729 129.7 19.5 -97.9 -22.9 -13.4 -18.0 -19.6 107 119 A V H < S+ 0 0 11 -4,-1.2 243,-0.4 100,-0.1 242,-0.2 0.312 90.8 127.7-129.0 3.7 -10.5 -18.2 -17.1 108 120 A G S >X S- 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 3,-1.2 -0.046 78.2 -88.7 -60.9 164.3 -10.0 -14.6 -16.1 109 121 A M H 3> S+ 0 0 92 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.837 125.1 55.6 -43.3 -45.1 -10.0 -13.3 -12.5 110 122 A P H 3> S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.846 108.7 47.4 -63.9 -34.3 -13.8 -12.7 -12.3 111 123 A V H <> S+ 0 0 36 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.883 111.8 51.0 -68.3 -40.0 -14.5 -16.3 -13.3 112 124 A V H X S+ 0 0 4 -4,-1.9 4,-1.1 2,-0.2 7,-0.2 0.929 108.9 50.6 -64.9 -43.7 -12.0 -17.6 -10.7 113 125 A D H < S+ 0 0 83 -4,-2.8 3,-0.3 1,-0.2 4,-0.3 0.893 111.7 49.8 -60.1 -39.5 -13.6 -15.4 -8.0 114 126 A K H < S+ 0 0 172 -4,-1.6 3,-0.4 -5,-0.2 4,-0.2 0.910 116.3 39.1 -63.3 -46.4 -17.0 -17.0 -9.1 115 127 A L H X S+ 0 0 28 -4,-2.5 4,-2.8 1,-0.2 3,-0.5 0.472 84.2 109.8 -85.8 -1.5 -15.8 -20.6 -9.0 116 128 A E H X S+ 0 0 56 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.832 83.2 37.4 -44.9 -51.5 -13.6 -20.2 -5.8 117 129 A N H > S+ 0 0 90 -3,-0.4 4,-2.6 -4,-0.3 -1,-0.3 0.781 112.7 56.9 -81.3 -24.9 -15.8 -22.2 -3.5 118 130 A R H > S+ 0 0 106 -3,-0.5 4,-2.2 -4,-0.2 -1,-0.2 0.908 108.2 50.6 -60.4 -41.7 -16.7 -24.8 -6.1 119 131 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.921 111.5 46.6 -62.6 -46.3 -12.9 -25.2 -6.4 120 132 A Q H X S+ 0 0 46 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.909 110.5 52.1 -61.2 -43.1 -12.6 -25.7 -2.6 121 133 A E H X S+ 0 0 97 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 109.0 51.4 -63.5 -36.1 -15.6 -28.1 -2.5 122 134 A L H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.945 111.7 46.2 -63.0 -49.8 -13.9 -30.2 -5.2 123 135 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.916 112.6 50.0 -57.4 -46.6 -10.6 -30.3 -3.3 124 136 A C H X S+ 0 0 27 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.905 109.8 51.1 -61.7 -44.3 -12.4 -31.2 0.0 125 137 A S H X S+ 0 0 79 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.891 113.2 44.6 -60.3 -43.9 -14.3 -34.0 -1.7 126 138 A L H X S+ 0 0 19 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.956 117.3 44.6 -65.2 -49.1 -11.1 -35.6 -3.2 127 139 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-0.4 0.907 111.3 52.7 -65.3 -43.3 -9.1 -35.2 0.1 128 140 A E H < S+ 0 0 52 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 107.3 52.0 -62.5 -38.4 -11.9 -36.5 2.3 129 141 A S H < S+ 0 0 75 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.788 117.6 39.6 -65.6 -29.4 -12.3 -39.6 0.1 130 142 A L H >X S+ 0 0 20 -4,-1.2 3,-2.1 -3,-0.4 4,-0.6 0.810 95.6 82.8 -85.3 -35.2 -8.5 -40.2 0.5 131 143 A R G >< S+ 0 0 44 -4,-2.9 3,-1.0 1,-0.3 -2,-0.1 0.784 89.2 48.5 -44.1 -49.5 -8.1 -39.3 4.2 132 144 A P G 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.667 99.6 69.1 -70.7 -15.4 -9.2 -42.6 5.8 133 145 A Q G <4 S- 0 0 132 -3,-2.1 -2,-0.2 -4,-0.1 -3,-0.1 0.720 90.0-142.2 -74.2 -23.4 -6.9 -44.7 3.5 134 146 A G S << S+ 0 0 9 -3,-1.0 260,-2.9 -4,-0.6 2,-0.3 0.508 74.5 51.9 71.9 6.2 -3.7 -43.4 5.1 135 147 A Q E +F 393 0B 129 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.984 56.0 172.9-165.4 153.6 -2.1 -43.4 1.6 136 148 A C E -F 392 0B 9 256,-2.0 256,-2.4 -2,-0.3 2,-1.0 -0.987 41.8-116.4-157.5 160.5 -2.5 -42.3 -2.0 137 149 A N E > -F 391 0B 93 -2,-0.3 4,-3.3 254,-0.2 3,-0.4 -0.879 41.0-161.4 -90.4 94.5 -0.8 -42.1 -5.3 138 150 A F H >>S+ 0 0 0 252,-2.3 5,-2.4 -2,-1.0 4,-2.3 0.852 81.7 48.8 -54.5 -46.5 -0.9 -38.3 -5.2 139 151 A T H 4>S+ 0 0 12 1,-0.2 5,-1.1 3,-0.2 -1,-0.2 0.897 122.7 35.3 -61.2 -40.5 -0.4 -37.6 -8.9 140 152 A E H 45S+ 0 0 103 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.823 123.7 41.4 -77.8 -37.0 -3.1 -40.1 -9.8 141 153 A D H <5S- 0 0 53 -4,-3.3 -3,-0.2 3,-0.1 -2,-0.2 0.651 136.0 -3.0 -96.3 -19.9 -5.5 -39.6 -6.9 142 154 A Y T X5S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.4 -3,-0.2 0.572 119.5 61.9-133.5 -51.9 -5.5 -35.8 -6.5 143 155 A A T 4 S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 106.3 60.3 -55.0 -36.3 -8.6 -35.5 -10.8 146 158 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -3,-0.1 0.966 110.5 34.6 -60.7 -61.2 -8.6 -32.0 -9.3 147 159 A P H > S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.858 118.4 52.8 -64.1 -34.3 -7.8 -29.8 -12.4 148 160 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 110.2 47.8 -67.9 -38.3 -9.8 -32.1 -14.8 149 161 A R H X S+ 0 0 64 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.907 109.6 53.8 -66.7 -37.1 -12.8 -31.8 -12.5 150 162 A I H X S+ 0 0 2 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.927 107.8 50.7 -59.4 -44.7 -12.3 -28.1 -12.5 151 163 A F H X S+ 0 0 11 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.910 106.9 53.5 -58.8 -46.3 -12.3 -28.2 -16.3 152 164 A M H X>S+ 0 0 8 -4,-2.3 5,-2.8 2,-0.2 4,-0.6 0.862 112.3 45.4 -56.9 -39.4 -15.6 -30.2 -16.3 153 165 A L H ><5S+ 0 0 69 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.948 115.3 46.7 -64.9 -52.2 -17.1 -27.5 -14.1 154 166 A L H 3<5S+ 0 0 20 -4,-2.9 53,-2.7 1,-0.2 -2,-0.2 0.904 120.2 38.9 -53.9 -47.1 -15.7 -24.6 -16.3 155 167 A A H 3<5S- 0 0 0 -4,-3.3 -1,-0.2 51,-0.2 53,-0.2 0.413 107.8-120.4 -90.7 0.0 -16.8 -26.2 -19.5 156 168 A G T <<5 + 0 0 35 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.948 58.6 154.6 58.4 51.8 -20.2 -27.6 -18.3 157 169 A L < - 0 0 15 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.880 46.2-104.8-114.8 144.0 -19.3 -31.2 -19.1 158 170 A P > - 0 0 61 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.388 22.1-124.9 -72.3 142.2 -20.8 -34.3 -17.4 159 171 A E G > S+ 0 0 107 1,-0.3 3,-2.4 2,-0.2 -7,-0.0 0.821 105.1 69.8 -49.1 -39.2 -18.7 -36.3 -14.8 160 172 A E G 3 S+ 0 0 147 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.700 92.1 61.3 -56.1 -21.6 -19.1 -39.6 -16.8 161 173 A D G <> S+ 0 0 47 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.508 79.3 89.9 -82.1 -7.3 -16.9 -38.1 -19.5 162 174 A I H <> S+ 0 0 14 -3,-2.4 4,-3.3 1,-0.2 5,-0.3 0.951 83.1 49.8 -59.6 -54.8 -13.9 -37.7 -17.2 163 175 A P H > S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 115.6 44.1 -51.5 -46.4 -12.2 -41.2 -17.7 164 176 A H H > S+ 0 0 92 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.888 115.2 48.1 -66.9 -36.7 -12.4 -40.8 -21.5 165 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.902 110.5 51.4 -70.9 -40.7 -11.2 -37.1 -21.4 166 178 A K H X S+ 0 0 57 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.885 110.0 51.4 -57.9 -41.2 -8.3 -38.1 -19.0 167 179 A Y H X S+ 0 0 79 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.941 109.1 48.4 -63.7 -49.4 -7.3 -40.8 -21.5 168 180 A L H < S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 3,-0.2 0.896 113.2 47.5 -59.2 -41.1 -7.2 -38.5 -24.5 169 181 A T H >< S+ 0 0 8 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.825 107.8 56.8 -71.3 -30.5 -5.1 -35.9 -22.7 170 182 A D H >X S+ 0 0 42 -4,-1.8 4,-4.2 1,-0.2 3,-1.2 0.801 95.2 65.9 -65.4 -32.3 -2.8 -38.7 -21.5 171 183 A Q T 3< S+ 0 0 7 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.638 98.9 53.6 -66.2 -12.7 -2.2 -39.7 -25.1 172 184 A M T <4 S+ 0 0 34 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.571 124.8 22.9 -97.1 -13.8 -0.5 -36.3 -25.6 173 185 A T T <4 S+ 0 0 63 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.674 140.5 18.6-118.0 -40.9 1.9 -36.8 -22.7 174 186 A R S < S- 0 0 107 -4,-4.2 -2,-0.2 -5,-0.1 -1,-0.1 -0.685 81.0-159.7-137.1 79.0 2.1 -40.6 -22.2 175 187 A P - 0 0 89 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.241 16.4-147.8 -67.4 148.5 0.9 -42.3 -25.4 176 188 A D - 0 0 106 3,-0.1 -5,-0.0 0, 0.0 -6,-0.0 0.688 45.6-109.3 -83.2 -21.4 -0.3 -46.0 -25.3 177 189 A G S S+ 0 0 71 2,-0.3 3,-0.1 -6,-0.1 -6,-0.0 0.346 91.3 115.2 101.5 0.2 0.9 -46.7 -28.9 178 190 A S S S- 0 0 82 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.806 82.5 -3.4 -67.9 -35.3 -2.7 -46.8 -30.0 179 191 A M S S- 0 0 36 -8,-0.1 -2,-0.3 0, 0.0 -1,-0.2 -0.978 79.0 -90.3-157.6 157.6 -2.5 -43.8 -32.3 180 192 A T >> - 0 0 87 -2,-0.3 4,-1.5 1,-0.1 3,-0.8 -0.185 46.0-103.9 -65.7 165.7 -0.2 -40.9 -33.4 181 193 A F H 3> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.928 124.5 56.3 -55.3 -45.3 -0.1 -37.6 -31.6 182 194 A A H 3> S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.685 104.7 53.0 -62.4 -22.4 -2.2 -36.1 -34.4 183 195 A E H <> S+ 0 0 99 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.809 105.5 52.3 -79.9 -37.2 -4.8 -38.8 -33.8 184 196 A A H X S+ 0 0 1 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.878 109.3 52.0 -62.7 -40.0 -5.1 -38.0 -30.1 185 197 A K H X S+ 0 0 11 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 111.5 44.3 -60.6 -50.7 -5.7 -34.3 -31.1 186 198 A E H X S+ 0 0 84 -4,-1.3 4,-3.3 2,-0.2 5,-0.2 0.869 109.3 56.6 -66.0 -39.0 -8.5 -35.2 -33.5 187 199 A A H X S+ 0 0 30 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.932 110.0 46.2 -54.7 -48.5 -10.1 -37.6 -31.1 188 200 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.922 113.3 48.8 -58.1 -47.3 -10.2 -34.7 -28.6 189 201 A Y H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.882 107.7 54.7 -62.1 -39.5 -11.6 -32.4 -31.4 190 202 A D H < S+ 0 0 97 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.820 109.0 48.8 -63.0 -34.1 -14.2 -35.0 -32.3 191 203 A Y H X S+ 0 0 31 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.887 118.4 40.8 -66.3 -40.4 -15.3 -35.0 -28.6 192 204 A L H >X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 3,-0.5 0.865 97.8 70.5 -82.0 -42.1 -15.4 -31.1 -28.7 193 205 A I H 3X S+ 0 0 51 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.872 99.3 47.3 -48.0 -49.6 -17.0 -30.2 -32.0 194 206 A P H 3> S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.869 112.3 50.8 -66.5 -32.5 -20.6 -31.4 -31.3 195 207 A I H X S+ 0 0 136 -4,-2.2 4,-2.1 1,-0.2 3,-0.9 0.872 109.5 51.7 -66.4 -37.7 -24.8 -27.2 -30.0 199 211 A R H 3< S+ 0 0 44 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.562 96.7 67.0 -84.3 -9.8 -23.9 -24.4 -27.7 200 212 A R H 3< S+ 0 0 61 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.792 113.2 35.4 -61.0 -34.3 -23.8 -21.9 -30.6 201 213 A Q H << S+ 0 0 165 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.800 134.6 21.0 -96.5 -39.4 -27.5 -22.6 -30.7 202 214 A K S < S- 0 0 177 -4,-2.1 -1,-0.2 0, 0.0 -2,-0.1 -0.708 85.6-162.3-132.4 79.9 -28.4 -23.0 -27.0 203 215 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.345 5.9-166.5 -66.4 141.0 -25.6 -21.3 -25.0 204 216 A G - 0 0 42 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.384 41.6 -96.8-103.0-167.6 -25.0 -21.9 -21.4 205 217 A T S S+ 0 0 143 -2,-0.2 -49,-0.1 4,-0.1 0, 0.0 0.413 88.3 113.9 -91.0 2.5 -22.8 -19.9 -19.0 206 218 A D S > S- 0 0 18 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.106 81.4-105.3 -76.7 168.6 -19.9 -22.4 -19.6 207 219 A A H > S+ 0 0 8 -53,-2.7 4,-2.4 2,-0.2 5,-0.2 0.830 118.5 51.9 -64.0 -38.2 -16.5 -21.9 -21.2 208 220 A I H > S+ 0 0 1 -53,-0.2 4,-3.0 2,-0.2 5,-0.2 0.974 109.8 49.9 -66.2 -50.9 -17.5 -23.8 -24.4 209 221 A S H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.920 112.5 48.1 -46.3 -54.9 -20.6 -21.7 -24.9 210 222 A I H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 114.9 43.5 -56.5 -51.1 -18.5 -18.5 -24.4 211 223 A V H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.889 113.7 52.3 -61.8 -40.6 -15.8 -19.5 -26.9 212 224 A A H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 111.9 44.5 -67.1 -35.5 -18.3 -20.8 -29.4 213 225 A N T 3< S+ 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.213 93.9 122.5 -92.5 13.2 -20.3 -17.6 -29.4 214 226 A G < - 0 0 7 -3,-1.2 7,-2.3 -5,-0.1 2,-0.4 -0.226 53.5-134.2 -77.5 163.9 -17.1 -15.5 -29.6 215 227 A Q E +H 220 0C 124 5,-0.2 2,-0.3 -117,-0.1 -113,-0.1 -0.972 24.1 168.0-123.1 130.9 -16.1 -13.0 -32.3 216 228 A V E > S+H 219 0C 4 3,-2.1 3,-1.8 -2,-0.4 -117,-0.0 -0.988 75.4 7.2-132.7 146.0 -12.9 -12.4 -34.1 217 229 A N T 3 S- 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.848 127.5 -66.6 54.0 38.8 -12.5 -10.2 -37.2 218 230 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.625 119.8 91.7 62.5 14.3 -16.0 -8.9 -36.7 219 231 A R E < S-H 216 0C 74 -3,-1.8 -3,-2.1 1,-0.0 -1,-0.2 -0.926 88.8 -81.0-134.4 159.8 -17.4 -12.3 -37.6 220 232 A P E -H 215 0C 83 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.278 56.7 -97.0 -61.9 146.4 -18.4 -15.4 -35.5 221 233 A I - 0 0 2 -7,-2.3 2,-0.1 -10,-0.2 -4,-0.0 -0.338 42.1-115.4 -59.0 140.7 -15.5 -17.7 -34.5 222 234 A T > - 0 0 59 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.430 17.1-118.7 -76.0 155.5 -15.0 -20.7 -36.8 223 235 A S H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 117.3 54.6 -60.9 -35.8 -15.5 -24.2 -35.5 224 236 A D H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 111.6 43.4 -62.7 -45.9 -11.8 -24.9 -36.3 225 237 A E H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.933 114.2 50.2 -64.0 -47.9 -10.7 -21.9 -34.2 226 238 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.871 111.0 48.9 -59.4 -41.1 -13.1 -22.8 -31.4 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