==== 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 3P6T . 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 . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.8 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 . 54 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.4 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 3 0 0 2 1 1 2 1 0 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 0 208 0, 0.0 49,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.3 22.3 -38.2 -32.0 2 11 A L - 0 0 91 47,-0.1 47,-0.2 48,-0.1 46,-0.0 -0.737 360.0-124.6 -85.4 147.7 23.9 -34.8 -31.9 3 12 A A - 0 0 24 45,-2.2 2,-0.1 -2,-0.3 49,-0.0 -0.807 35.5 -99.2 -89.5 140.4 22.9 -32.5 -34.9 4 13 A P - 0 0 121 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.376 47.2 -98.7 -65.4 137.4 25.9 -31.2 -36.8 5 14 A L - 0 0 46 1,-0.1 6,-0.1 -2,-0.1 43,-0.1 -0.317 34.3-121.8 -59.3 118.1 26.8 -27.6 -35.7 6 15 A P > - 0 0 36 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.320 25.1-117.7 -56.9 143.1 25.4 -24.9 -38.1 7 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.701 110.1 60.6 -58.6 -25.5 28.2 -22.7 -39.5 8 17 A H T 3 S+ 0 0 50 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.573 87.8 88.5 -78.9 -6.8 27.0 -19.5 -37.9 9 18 A V S < S- 0 0 5 -3,-1.9 2,-0.1 292,-0.1 5,-0.1 -0.809 75.8-136.4-100.3 116.5 27.3 -20.9 -34.4 10 19 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.461 15.0-124.8 -77.0 145.0 30.7 -20.5 -32.7 11 20 A E G > S+ 0 0 152 1,-0.3 3,-1.7 2,-0.2 35,-0.1 0.772 103.8 67.9 -53.8 -33.1 32.2 -23.5 -30.9 12 21 A H G 3 S+ 0 0 140 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.573 97.2 53.9 -73.7 -4.2 32.6 -21.6 -27.6 13 22 A L G < S+ 0 0 13 -3,-1.9 33,-2.8 32,-0.1 2,-0.4 0.443 81.5 115.4-104.8 1.6 28.8 -21.4 -27.1 14 23 A V B < +a 46 0A 28 -3,-1.7 2,-0.3 31,-0.2 33,-0.2 -0.583 26.7 157.2 -87.4 123.0 28.2 -25.1 -27.5 15 24 A F - 0 0 58 31,-2.8 2,-2.4 -2,-0.4 30,-0.1 -0.905 35.5-142.1-144.1 106.3 26.8 -26.9 -24.4 16 25 A D + 0 0 62 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.393 33.6 167.1 -80.3 66.8 25.0 -30.1 -25.4 17 26 A F - 0 0 17 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.661 25.8-149.1 -75.0 131.6 22.2 -29.9 -22.8 18 27 A D > - 0 0 44 -2,-0.4 3,-0.9 3,-0.1 -2,-0.0 -0.926 4.8-162.1-104.6 113.4 19.4 -32.4 -23.5 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.710 90.4 47.6 -69.4 -20.8 16.1 -31.0 -22.3 20 29 A Y T 3 S+ 0 0 79 1,-0.2 364,-0.4 363,-0.0 -1,-0.3 0.576 129.1 19.8 -95.3 -9.7 14.4 -34.3 -22.4 21 30 A N S < S- 0 0 106 -3,-0.9 -1,-0.2 362,-0.1 -2,-0.2 -0.315 79.0-170.5-153.7 63.2 17.2 -36.2 -20.5 22 31 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.293 31.2-116.2 -66.9 148.7 19.4 -33.8 -18.6 23 32 A S T 3 S+ 0 0 118 1,-0.3 3,-0.3 9,-0.1 10,-0.1 0.757 109.7 41.8 -49.6 -40.3 22.7 -35.2 -17.1 24 33 A N T > S+ 0 0 73 8,-0.2 3,-2.0 1,-0.2 -1,-0.3 0.110 70.5 128.9-107.4 27.1 21.8 -34.6 -13.5 25 34 A L G X + 0 0 34 -3,-1.7 3,-2.3 1,-0.3 357,-0.3 0.803 67.8 62.6 -49.4 -44.5 18.2 -35.7 -13.5 26 35 A S G 3 S+ 0 0 116 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.777 99.0 57.4 -53.7 -32.4 18.6 -38.1 -10.5 27 36 A A G < S- 0 0 64 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.455 131.8 -70.7 -76.2 -0.9 19.5 -35.0 -8.4 28 37 A G <> - 0 0 9 -3,-2.3 4,-2.1 -4,-0.2 -1,-0.3 -0.084 41.0-108.0 113.2 135.8 16.2 -33.3 -9.1 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 116.7 49.2 -67.7 -45.8 15.0 -31.8 -12.4 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 114.2 48.3 -58.5 -42.2 15.3 -28.0 -11.4 31 40 A E H > S+ 0 0 66 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.884 108.3 54.8 -59.2 -42.3 18.8 -28.8 -10.1 32 41 A A H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.865 111.8 43.4 -61.7 -40.5 19.5 -30.6 -13.4 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.854 101.0 70.2 -73.5 -33.0 18.5 -27.5 -15.4 34 43 A A H >< S+ 0 0 24 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.604 76.6 80.6 -63.8 -12.1 20.4 -25.2 -13.0 35 44 A V G X< S+ 0 0 37 -3,-0.6 3,-1.3 -4,-0.6 -1,-0.3 0.731 81.6 68.5 -60.1 -23.5 23.7 -26.5 -14.4 36 45 A L G < S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.596 95.6 54.7 -68.3 -12.0 23.0 -24.1 -17.2 37 46 A Q G < S+ 0 0 8 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.189 77.1 124.9-110.2 14.3 23.6 -21.3 -14.7 38 47 A E S X S- 0 0 106 -3,-1.3 3,-2.4 1,-0.1 -3,-0.0 -0.394 77.1-106.4 -69.9 152.7 27.1 -22.4 -13.5 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.693 117.2 58.1 -63.2 -24.3 29.7 -19.6 -13.9 40 49 A N T 3 S+ 0 0 105 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.337 90.0 91.9 -80.1 3.3 31.4 -21.2 -16.9 41 50 A V S < S- 0 0 12 -3,-2.4 4,-0.1 -6,-0.0 -28,-0.1 -0.898 74.8-132.2-109.6 119.0 28.2 -21.1 -18.9 42 51 A P - 0 0 41 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.145 26.1-109.3 -59.4 162.0 27.4 -18.1 -21.1 43 52 A D S S+ 0 0 50 1,-0.2 14,-2.7 13,-0.1 15,-0.6 0.685 110.1 35.8 -64.8 -23.9 24.0 -16.4 -21.0 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.981 77.1 169.7-138.8 121.0 23.2 -17.8 -24.4 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.3 -2,-0.4 2,-0.4 -0.842 27.0-131.6-126.1 162.9 24.4 -21.3 -25.5 46 55 A W E -aB 14 54A 9 -33,-2.8 -31,-2.8 -2,-0.3 2,-0.4 -0.969 17.4-164.8-114.5 132.9 23.8 -23.7 -28.4 47 56 A T E - B 0 53A 0 6,-2.3 6,-1.9 -2,-0.4 -31,-0.2 -0.936 16.8-151.8-110.0 142.6 23.1 -27.4 -27.8 48 57 A R > + 0 0 74 -2,-0.4 -45,-2.2 4,-0.2 3,-0.6 0.519 66.3 106.7 -86.8 -3.9 23.4 -29.9 -30.6 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.325 77.2 16.2 -69.0 155.7 20.7 -32.1 -28.8 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.770 142.2 -42.6 57.3 39.7 17.2 -32.5 -30.1 51 60 A G G < S- 0 0 64 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.144 105.1 -79.6 92.2 -13.6 17.9 -31.1 -33.7 52 61 A G < + 0 0 4 -3,-2.2 256,-0.3 1,-0.1 2,-0.3 0.417 64.2 163.1 89.4 128.7 20.1 -28.3 -32.3 53 62 A H E -B 47 0A 0 -6,-1.9 -6,-2.3 254,-0.1 256,-0.2 -0.970 37.0 -96.7-170.5 157.0 18.8 -25.0 -30.8 54 63 A W E -Bc 46 309A 0 254,-2.4 256,-3.0 -2,-0.3 2,-0.3 -0.435 28.9-156.2 -77.0 159.3 19.8 -22.0 -28.7 55 64 A I E -Bc 45 310A 0 -10,-2.3 -10,-2.2 254,-0.2 2,-0.5 -0.963 7.6-148.7-134.9 120.5 19.1 -21.9 -24.9 56 65 A A E -B 44 0A 0 254,-2.0 -12,-0.2 -2,-0.3 259,-0.1 -0.803 16.3-174.4 -81.3 128.1 18.8 -18.6 -23.0 57 66 A T + 0 0 0 -14,-2.7 2,-0.4 -2,-0.5 -13,-0.1 0.507 54.0 67.1-109.1 -7.4 20.1 -19.4 -19.5 58 67 A R S >> S- 0 0 5 -15,-0.6 4,-2.3 1,-0.1 3,-0.6 -0.928 77.7-124.2-123.1 143.3 19.5 -16.2 -17.5 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.6 256,-0.3 5,-0.3 0.849 108.7 58.7 -53.7 -40.1 16.2 -14.5 -16.4 60 69 A Q H 3> S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 111.6 38.6 -58.1 -48.6 17.2 -11.2 -18.1 61 70 A L H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.842 114.9 54.9 -69.5 -38.1 17.5 -12.8 -21.6 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.947 111.2 43.7 -59.0 -49.1 14.5 -15.1 -21.1 63 72 A R H X S+ 0 0 56 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.925 113.2 52.1 -61.9 -46.9 12.3 -12.1 -20.3 64 73 A E H X S+ 0 0 68 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.896 110.1 47.0 -60.5 -44.4 13.7 -10.0 -23.1 65 74 A A H < S+ 0 0 0 -4,-2.3 7,-0.2 1,-0.2 -1,-0.2 0.886 110.1 53.8 -66.7 -38.4 13.1 -12.6 -25.8 66 75 A Y H < S+ 0 0 5 -4,-2.0 279,-0.6 -5,-0.2 280,-0.2 0.827 110.0 47.8 -63.6 -32.1 9.6 -13.3 -24.5 67 76 A E H < S+ 0 0 108 -4,-1.8 2,-1.4 1,-0.2 -1,-0.2 0.804 101.1 69.5 -72.1 -31.9 8.8 -9.6 -24.8 68 77 A D >X + 0 0 40 -4,-1.4 4,-2.3 1,-0.2 3,-0.7 -0.555 52.5 157.7 -97.6 76.4 10.2 -9.3 -28.3 69 78 A Y T 34 + 0 0 73 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.648 66.3 71.5 -70.4 -17.9 7.7 -11.3 -30.4 70 79 A R T 34 S+ 0 0 184 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.856 115.4 23.3 -69.3 -32.8 8.7 -9.5 -33.6 71 80 A H T <4 S+ 0 0 50 -3,-0.7 222,-2.1 1,-0.2 2,-0.7 0.752 126.9 51.0 -94.9 -31.9 12.0 -11.4 -33.5 72 81 A F E < S-D 292 0A 0 -4,-2.3 220,-0.2 -7,-0.2 -1,-0.2 -0.856 78.5-167.4-117.2 94.8 11.0 -14.4 -31.4 73 82 A S E -D 291 0A 6 218,-2.8 218,-2.0 -2,-0.7 3,-0.5 -0.521 26.8-146.5 -88.1 145.9 7.8 -15.9 -32.9 74 83 A S S S+ 0 0 0 -2,-0.2 -1,-0.1 216,-0.2 215,-0.1 0.299 75.3 104.4 -90.0 7.5 5.5 -18.5 -31.3 75 84 A E S S+ 0 0 124 1,-0.3 -1,-0.2 216,-0.2 12,-0.1 0.882 97.5 23.6 -51.0 -40.8 4.8 -20.0 -34.8 76 85 A C S S+ 0 0 3 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.756 77.5 160.0-126.2 83.1 7.1 -22.9 -33.8 77 86 A P + 0 0 2 0, 0.0 212,-1.8 0, 0.0 2,-0.4 0.500 47.7 74.2 -90.3 -1.7 7.2 -23.0 -30.0 78 87 A F S S- 0 0 32 3,-0.2 6,-0.7 210,-0.2 7,-0.2 -0.895 74.5-112.1-120.9 141.5 8.4 -26.5 -29.2 79 88 A I S S+ 0 0 4 -2,-0.4 2,-0.1 4,-0.1 -28,-0.1 -0.934 96.3 51.1-102.0 131.8 11.7 -28.3 -29.5 80 89 A P S >> S- 0 0 49 0, 0.0 4,-1.7 0, 0.0 3,-1.1 0.563 89.8-130.0 -82.7 167.7 12.1 -30.5 -31.4 81 90 A R H 3> S+ 0 0 75 -31,-0.3 4,-3.2 1,-0.3 5,-0.2 0.794 102.6 60.7 -53.8 -40.8 11.0 -28.6 -34.5 82 91 A E H 3> S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.874 108.1 45.3 -59.8 -38.3 8.6 -31.4 -35.8 83 92 A A H <> S+ 0 0 44 -3,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.956 113.5 49.8 -63.9 -51.5 6.5 -31.0 -32.6 84 93 A G H >< S+ 0 0 0 -4,-1.7 3,-0.6 -6,-0.7 -2,-0.2 0.896 111.2 50.8 -53.4 -45.7 6.6 -27.2 -32.9 85 94 A E H 3< S+ 0 0 111 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.6 45.5 -64.1 -39.9 5.5 -27.4 -36.5 86 95 A A H 3< S+ 0 0 59 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.562 90.2 105.2 -81.1 -8.6 2.5 -29.8 -36.0 87 96 A Y << + 0 0 30 -4,-1.0 -9,-0.1 -3,-0.6 -4,-0.0 -0.632 33.1 155.6 -81.3 120.8 1.3 -27.7 -33.0 88 97 A D + 0 0 42 -2,-0.5 -1,-0.1 2,-0.1 5,-0.1 0.298 17.0 137.3-130.7 5.0 -1.7 -25.5 -33.8 89 98 A F > - 0 0 4 3,-0.1 4,-1.6 145,-0.1 143,-0.2 -0.194 57.6 -90.2 -53.5 151.5 -3.6 -24.8 -30.5 90 99 A I T 4 S+ 0 0 1 141,-1.3 145,-0.3 1,-0.3 146,-0.2 -0.951 97.6 2.4-116.1 135.8 -4.9 -21.2 -30.1 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-2.4 0, 0.0 -1,-0.3 -0.972 116.6 72.8 -94.1 4.8 -3.5 -18.9 -28.9 92 101 A T T 34 S+ 0 0 36 1,-0.3 -2,-0.2 254,-0.0 -3,-0.1 0.716 104.0 41.7 -58.9 -26.2 -0.2 -20.6 -28.1 93 102 A S T 3< S+ 0 0 22 -4,-1.6 2,-0.3 -5,-0.1 -1,-0.3 0.346 100.4 90.3-103.4 9.3 1.0 -20.8 -31.7 94 103 A M < - 0 0 21 -3,-2.4 -6,-0.0 -5,-0.1 -5,-0.0 -0.810 61.6-146.5-105.2 145.7 -0.1 -17.2 -32.7 95 104 A D > - 0 0 42 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.682 39.3 -63.7 -95.3 158.1 1.8 -14.0 -32.5 96 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.486 111.0 39.5 -61.6 150.1 0.5 -10.6 -31.8 97 106 A P T >4 S+ 0 0 83 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.978 125.1 36.9 -89.9 -18.1 -1.4 -8.9 -33.2 98 107 A E T >> S+ 0 0 82 -3,-0.4 3,-1.0 1,-0.2 4,-0.8 0.867 111.7 61.9 -56.2 -41.5 -3.8 -11.7 -34.2 99 108 A Q H 3X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.781 88.3 75.6 -55.0 -29.6 -3.3 -13.6 -30.9 100 109 A R H <> S+ 0 0 144 -3,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.853 94.9 44.2 -58.4 -40.5 -4.8 -10.6 -29.0 101 110 A Q H <> S+ 0 0 50 -3,-1.0 4,-1.7 -4,-0.4 -1,-0.2 0.903 114.7 48.6 -73.8 -39.8 -8.5 -11.2 -29.9 102 111 A F H X S+ 0 0 0 -4,-0.8 4,-2.8 1,-0.2 5,-0.2 0.910 110.6 52.3 -64.3 -40.5 -8.3 -14.9 -29.2 103 112 A R H X S+ 0 0 54 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.915 106.6 51.8 -63.6 -41.4 -6.6 -14.3 -25.9 104 113 A A H X S+ 0 0 57 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.895 111.6 48.7 -61.2 -39.0 -9.3 -11.8 -24.8 105 114 A L H >X S+ 0 0 4 -4,-1.7 3,-1.1 2,-0.2 4,-0.6 0.969 112.3 46.4 -65.9 -54.3 -11.9 -14.5 -25.6 106 115 A A H >X S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.3 4,-1.2 0.886 105.5 61.8 -56.6 -37.6 -10.1 -17.2 -23.7 107 116 A N H 3X S+ 0 0 69 -4,-3.0 4,-2.2 1,-0.3 -1,-0.3 0.841 95.0 63.3 -61.0 -27.6 -9.6 -14.7 -20.8 108 117 A Q H << S+ 0 0 116 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.758 106.7 42.6 -65.6 -25.1 -13.5 -14.6 -20.5 109 118 A V H << S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.741 130.6 20.0 -97.3 -19.9 -13.6 -18.3 -19.6 110 119 A V H 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254,-0.2 5,-0.4 -0.959 37.8-160.2 -92.2 103.8 0.3 -42.1 -4.8 141 150 A F H >>S+ 0 0 0 252,-2.8 5,-2.9 -2,-0.8 4,-2.0 0.884 84.6 52.0 -54.8 -44.0 -0.3 -38.3 -4.7 142 151 A T H 4>S+ 0 0 3 1,-0.2 5,-2.4 3,-0.2 -1,-0.2 0.952 122.2 31.7 -60.3 -48.1 0.4 -37.8 -8.4 143 152 A E H 45S+ 0 0 101 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.866 125.4 40.5 -75.3 -39.4 -2.1 -40.5 -9.3 144 153 A D H <5S+ 0 0 61 -4,-3.9 -3,-0.2 3,-0.1 -2,-0.2 0.762 134.6 5.6 -95.4 -26.1 -4.7 -40.3 -6.5 145 154 A Y T X5S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.4 -3,-0.2 0.711 125.1 51.6-117.8 -49.1 -5.0 -36.5 -6.0 146 155 A A T 4 S+ 0 0 26 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.729 104.5 68.2 -63.0 -25.4 -8.1 -36.3 -11.0 149 158 A F H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 5,-0.2 0.983 100.8 35.5 -67.3 -63.0 -8.2 -32.7 -9.7 150 159 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.885 115.1 55.9 -66.0 -34.0 -7.6 -30.4 -12.7 151 160 A I H X S+ 0 0 1 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.911 108.4 49.4 -61.1 -39.7 -9.5 -32.5 -15.2 152 161 A R H X S+ 0 0 81 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.871 108.9 52.2 -65.9 -34.7 -12.6 -32.3 -12.9 153 162 A I H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.910 107.4 52.8 -67.2 -39.6 -12.2 -28.5 -12.6 154 163 A F H X S+ 0 0 11 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.913 106.9 52.3 -60.9 -43.3 -12.1 -28.4 -16.5 155 164 A M H <>S+ 0 0 7 -4,-2.0 5,-2.5 2,-0.2 4,-0.2 0.853 111.4 46.7 -57.0 -38.5 -15.4 -30.4 -16.6 156 165 A L H ><5S+ 0 0 77 -4,-1.6 3,-0.9 3,-0.2 -2,-0.2 0.939 115.3 45.6 -70.2 -46.3 -17.0 -27.9 -14.2 157 166 A L H 3<5S+ 0 0 21 -4,-2.6 53,-2.1 1,-0.2 -2,-0.2 0.899 119.6 40.8 -59.0 -46.1 -15.7 -24.9 -16.2 158 167 A A T 3<5S- 0 0 0 -4,-3.0 -1,-0.2 51,-0.2 -2,-0.2 0.293 107.6-122.9 -91.7 6.9 -16.7 -26.4 -19.5 159 168 A G T < 5 + 0 0 35 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.857 58.9 150.5 48.9 47.2 -20.1 -27.8 -18.2 160 169 A L < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.828 49.4-107.1-106.9 144.3 -19.2 -31.3 -19.2 161 170 A P > - 0 0 65 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.433 21.4-123.1 -77.2 147.7 -20.7 -34.4 -17.4 162 171 A E G > S+ 0 0 124 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.772 104.2 77.8 -61.5 -23.6 -18.3 -36.4 -15.1 163 172 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.707 90.1 57.0 -49.1 -26.9 -19.2 -39.6 -17.1 164 173 A D G <> S+ 0 0 49 -3,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.505 78.3 94.0 -91.3 -8.2 -16.7 -38.3 -19.8 165 174 A I H <> S+ 0 0 8 -3,-1.9 4,-3.2 -4,-0.2 5,-0.3 0.907 79.6 52.7 -53.7 -54.8 -13.6 -38.0 -17.6 166 175 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.906 114.2 42.2 -51.0 -50.2 -12.0 -41.4 -18.3 167 176 A H H > S+ 0 0 100 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.939 116.2 48.9 -63.2 -45.9 -12.1 -41.0 -22.1 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.922 111.0 50.0 -60.2 -47.9 -11.0 -37.3 -21.9 169 178 A K H X S+ 0 0 35 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.860 109.1 53.7 -54.9 -43.5 -8.1 -38.2 -19.6 170 179 A Y H X S+ 0 0 72 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.923 109.0 47.2 -58.9 -46.8 -7.0 -40.9 -21.9 171 180 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.905 114.3 45.8 -68.1 -41.1 -6.9 -38.6 -24.9 172 181 A T H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 3,-0.4 0.904 109.5 55.7 -68.7 -39.8 -4.9 -35.9 -23.1 173 182 A D H X S+ 0 0 24 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.880 103.7 56.0 -53.6 -40.0 -2.5 -38.5 -21.7 174 183 A Q H < S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 104.7 52.1 -66.9 -30.4 -1.8 -39.7 -25.2 175 184 A M H < S+ 0 0 23 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.837 126.6 23.1 -72.2 -35.7 -0.7 -36.1 -26.3 176 185 A T H < S+ 0 0 73 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.567 142.7 17.7-108.9 -14.2 1.7 -35.8 -23.4 177 186 A R S < S- 0 0 88 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.1 -0.397 80.1-160.7-154.6 72.0 2.5 -39.5 -22.6 178 187 A P - 0 0 90 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.279 16.1-166.0 -69.2 136.1 1.4 -41.8 -25.5 179 188 A D - 0 0 98 3,-0.1 -5,-0.0 -2,-0.0 -6,-0.0 0.633 54.7-102.7 -89.8 -14.6 0.9 -45.6 -24.8 180 189 A G S S+ 0 0 65 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.177 97.7 107.5 114.7 -12.8 0.9 -46.2 -28.6 181 190 A S S S+ 0 0 83 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.811 89.9 17.8 -63.5 -31.9 -2.9 -46.6 -29.1 182 191 A M S S- 0 0 40 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.999 71.2-128.3-146.5 136.2 -3.0 -43.3 -30.9 183 192 A T > - 0 0 84 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.233 45.0 -98.4 -65.7 169.4 -0.7 -40.7 -32.6 184 193 A F H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.867 125.8 50.5 -57.3 -41.2 -0.9 -37.1 -31.4 185 194 A A H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.809 109.4 49.7 -72.4 -33.2 -3.1 -36.3 -34.4 186 195 A E H > S+ 0 0 104 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.950 113.8 44.9 -69.5 -52.6 -5.5 -39.1 -33.7 187 196 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.929 115.1 50.7 -50.8 -48.3 -5.8 -38.1 -30.0 188 197 A K H X S+ 0 0 25 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.949 113.0 44.3 -55.0 -52.0 -6.2 -34.5 -31.3 189 198 A E H X S+ 0 0 94 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.874 110.9 53.1 -63.7 -42.0 -8.9 -35.5 -33.8 190 199 A A H X S+ 0 0 22 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.921 109.0 50.9 -59.7 -42.3 -10.7 -37.6 -31.2 191 200 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.953 111.8 47.5 -55.8 -46.5 -10.7 -34.6 -28.9 192 201 A Y H X S+ 0 0 3 -4,-2.3 4,-3.5 1,-0.3 -2,-0.2 0.915 108.3 53.2 -64.1 -43.8 -12.2 -32.5 -31.8 193 202 A D H < S+ 0 0 104 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.813 112.2 48.3 -56.3 -32.7 -14.8 -35.2 -32.5 194 203 A Y H X S+ 0 0 34 -4,-1.8 4,-0.6 -3,-0.2 -2,-0.2 0.922 120.0 34.1 -74.0 -46.3 -15.6 -34.9 -28.8 195 204 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 3,-0.5 0.875 102.2 73.1 -81.6 -42.1 -15.8 -31.0 -28.7 196 205 A I H X S+ 0 0 36 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.851 100.0 44.6 -38.6 -54.0 -17.2 -30.2 -32.2 197 206 A P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.857 114.5 48.1 -65.8 -37.0 -20.8 -31.5 -31.4 198 207 A I H X S+ 0 0 26 -4,-0.6 4,-2.4 -3,-0.5 -2,-0.2 0.885 110.8 52.9 -70.9 -38.6 -21.0 -29.7 -28.0 199 208 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.954 109.8 47.9 -56.4 -51.7 -19.7 -26.6 -29.7 200 209 A E H X S+ 0 0 85 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.895 114.4 46.1 -58.0 -45.0 -22.5 -26.7 -32.3 201 210 A Q H X S+ 0 0 131 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.873 113.4 47.6 -65.2 -40.4 -25.2 -27.3 -29.7 202 211 A R H < S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.730 106.4 58.8 -80.0 -21.8 -23.9 -24.5 -27.4 203 212 A R H < S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.888 115.5 36.4 -57.4 -43.7 -23.7 -22.3 -30.4 204 213 A Q H < S+ 0 0 176 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.825 134.4 23.2 -84.8 -35.5 -27.5 -22.9 -30.8 205 214 A K S < S- 0 0 174 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.821 88.6-150.6-133.7 89.0 -28.5 -23.1 -27.1 206 215 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.261 10.8-166.8 -61.9 145.6 -25.8 -21.1 -25.0 207 216 A G - 0 0 33 2,-0.2 -48,-0.0 -5,-0.1 6,-0.0 -0.566 38.8-106.8-109.0-176.7 -24.9 -21.9 -21.4 208 217 A T S S+ 0 0 153 -2,-0.2 2,-0.2 4,-0.1 -49,-0.1 0.154 87.4 110.3 -92.2 20.3 -22.8 -19.7 -19.0 209 218 A D S > S- 0 0 23 -51,-0.1 4,-2.5 -50,-0.1 3,-0.3 -0.520 83.2-103.3-102.7 163.4 -19.9 -22.1 -19.5 210 219 A A H > S+ 0 0 9 -53,-2.1 4,-2.5 1,-0.2 5,-0.2 0.823 117.2 50.4 -53.1 -44.0 -16.5 -22.0 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129.8 -60.4 54.8 34.8 -11.6 -9.6 -35.6 221 230 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.524 122.1 90.8 71.3 6.0 -15.3 -8.4 -35.8 222 231 A R E < S-H 219 0C 78 -3,-1.6 -3,-2.8 3,-0.0 -1,-0.2 -0.877 87.2 -84.6-127.3 162.7 -16.5 -11.7 -37.2 223 232 A P E -H 218 0C 87 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.409 50.2-105.7 -64.8 138.3 -17.9 -15.0 -35.6 224 233 A I - 0 0 3 -7,-2.2 2,-0.1 -9,-0.1 -4,-0.0 -0.360 38.9-122.3 -59.7 139.2 -15.2 -17.5 -34.4 225 234 A T > - 0 0 61 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.358 16.5-113.1 -77.8 167.9 -15.0 -20.5 -36.8 226 235 A S H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.859 120.3 52.2 -66.9 -40.7 -15.5 -24.1 -35.8 227 236 A D H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 112.3 46.9 -60.0 -41.0 -11.9 -24.8 -36.5 228 237 A E H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.910 111.7 48.2 -71.8 -44.1 -10.9 -21.8 -34.2 229 238 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.906 112.5 48.2 -63.2 -41.7 -13.2 -22.7 -31.3 230 239 A K H X S+ 0 0 29 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.890 111.4 50.4 -69.4 -36.1 -12.1 -26.4 -31.2 231 240 A R H X S+ 0 0 45 -4,-1.6 -141,-1.3 2,-0.2 4,-1.0 0.795 115.5 43.5 -69.9 -31.0 -8.4 -25.4 -31.3 232 241 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 -143,-0.2 3,-0.3 0.904 112.9 50.0 -74.3 -49.2 -9.0 -22.9 -28.5 233 242 A C H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.903 106.9 58.6 -58.3 -38.4 -11.1 -25.4 -26.5 234 243 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.904 108.2 43.5 -52.8 -45.8 -8.3 -27.9 -27.0 235 244 A L H X S+ 0 0 26 -4,-1.0 4,-3.1 -145,-0.3 5,-0.3 0.874 109.5 56.1 -73.1 -37.3 -5.7 -25.6 -25.3 236 245 A L H < S+ 0 0 36 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.857 111.9 45.1 -65.3 -31.5 -8.1 -24.7 -22.5 237 246 A L H >< S+ 0 0 1 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.980 122.7 31.7 -73.7 -55.5 -8.4 -28.4 -21.8 238 247 A V H >X S+ 0 0 32 -4,-2.6 3,-1.6 1,-0.2 4,-0.6 0.780 105.0 73.2 -78.1 -25.7 -4.7 -29.5 -22.0 239 248 A G T 3< S+ 0 0 36 -4,-3.1 4,-0.3 1,-0.3 -1,-0.2 0.793 102.6 39.8 -60.7 -33.9 -3.1 -26.2 -20.7 240 249 A G T <4 S+ 0 0 30 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.196 104.4 69.0-104.3 19.0 -4.1 -26.8 -17.1 241 250 A L T <> S+ 0 0 13 -3,-1.6 4,-3.1 3,-0.1 5,-0.2 0.855 102.6 28.4 -94.7 -77.7 -3.6 -30.5 -16.7 242 251 A D H X S+ 0 0 25 -4,-0.6 4,-2.4 1,-0.2 5,-0.3 0.839 121.4 53.2 -60.0 -42.8 0.1 -31.5 -16.8 243 252 A T H > S+ 0 0 42 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.943 115.8 39.4 -51.9 -53.4 1.3 -28.2 -15.4 244 253 A V H > S+ 0 0 10 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.956 116.5 50.8 -66.0 -43.9 -1.0 -28.4 -12.4 245 254 A V H X S+ 0 0 6 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.927 117.6 38.1 -59.3 -48.6 -0.5 -32.2 -11.9 246 255 A N H X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.873 116.0 51.7 -77.1 -37.9 3.3 -31.9 -11.9 247 256 A F H X S+ 0 0 6 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.945 109.1 49.9 -65.0 -45.5 3.5 -28.6 -10.0 248 257 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.899 111.0 52.6 -56.1 -38.4 1.3 -29.9 -7.2 249 258 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.899 107.1 48.9 -66.1 -44.5 3.6 -33.0 -7.1 250 259 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.901 113.8 49.4 -57.9 -42.2 6.8 -31.0 -6.7 251 260 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.898 112.1 44.9 -64.2 -46.1 5.1 -29.0 -4.0 252 261 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.875 111.1 54.9 -68.1 -34.7 3.9 -32.0 -2.0 253 262 A E H X S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.920 110.2 46.3 -62.0 -50.0 7.2 -33.8 -2.4 254 263 A F H X S+ 0 0 36 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.936 113.6 48.0 -55.3 -50.7 9.0 -30.7 -0.9 255 264 A L H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 3,-0.3 0.855 109.6 53.3 -64.5 -31.1 6.5 -30.5 2.0 256 265 A A H < S+ 0 0 6 -4,-2.3 118,-0.4 1,-0.2 -1,-0.2 0.830 114.4 41.9 -68.8 -31.0 6.8 -34.2 2.7 257 266 A K H < S+ 0 0 119 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.468 111.5 59.1 -97.3 -6.0 10.6 -33.9 2.9 258 267 A S >X + 0 0 20 -4,-0.9 4,-2.2 -3,-0.3 3,-0.8 -0.661 53.4 173.3-130.9 78.8 10.6 -30.7 4.9 259 268 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.809 82.4 57.7 -49.3 -37.4 8.7 -31.0 8.2 260 269 A E H 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