==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-09 3L63 . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,I.RUPNIEWSKI,D.B.GOODIN . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16921.0 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 36.5 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 0 4 0 1 1 0 2 1 1 1 1 1 0 1 1 0 0 0 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 0 195 0, 0.0 2,-0.6 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 122.1 16.0 14.9 14.2 2 11 A L - 0 0 75 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.814 360.0-137.2 -99.0 119.9 13.6 17.3 12.4 3 12 A A - 0 0 26 45,-2.9 49,-0.0 -2,-0.6 46,-0.0 -0.489 42.6 -89.4 -68.7 138.4 12.5 16.6 8.9 4 13 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.239 49.5-101.6 -53.0 134.4 12.5 19.7 6.7 5 14 A L - 0 0 53 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.412 38.0-121.0 -59.5 119.0 9.2 21.6 6.8 6 15 A P > - 0 0 32 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.344 23.0-115.2 -60.6 144.5 7.2 20.7 3.7 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.690 111.2 60.4 -58.9 -20.5 6.3 23.9 1.7 8 17 A H T 3 S+ 0 0 50 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.552 86.2 89.9 -82.6 -6.9 2.5 23.5 2.2 9 18 A V S < S- 0 0 8 -3,-2.1 2,-0.1 292,-0.1 5,-0.1 -0.819 75.9-132.1 -98.6 119.6 2.8 23.6 6.0 10 19 A P > - 0 0 51 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.394 17.0-125.5 -68.7 142.6 2.5 27.1 7.6 11 20 A E G > S+ 0 0 172 1,-0.3 3,-1.5 2,-0.2 35,-0.1 0.802 106.3 63.0 -58.5 -32.4 5.1 27.9 10.2 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.553 97.9 58.0 -74.3 -7.0 2.6 28.8 13.0 13 22 A L G < S+ 0 0 17 -3,-1.7 33,-2.7 32,-0.1 2,-0.3 0.437 79.9 114.3 -97.8 -0.8 1.3 25.2 12.9 14 23 A V B < +a 46 0A 35 -3,-1.5 2,-0.3 -4,-0.2 33,-0.2 -0.555 28.7 158.2 -76.3 128.9 4.6 23.7 13.7 15 24 A F - 0 0 50 31,-2.5 2,-2.1 -2,-0.3 30,-0.1 -0.821 33.1-144.3-148.0 108.7 4.8 21.9 17.1 16 25 A D + 0 0 53 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.387 31.7 166.5 -84.8 67.1 7.7 19.3 17.2 17 26 A F - 0 0 8 -2,-2.1 2,-0.7 32,-0.1 32,-0.3 -0.637 26.0-150.2 -79.1 130.6 6.1 16.6 19.4 18 27 A D > - 0 0 45 -2,-0.3 3,-1.3 3,-0.2 -2,-0.0 -0.893 4.9-165.0-103.2 104.5 8.0 13.2 19.4 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.668 89.3 48.1 -65.2 -17.4 5.4 10.4 20.0 20 29 A Y T 3 S+ 0 0 49 1,-0.2 364,-0.4 363,-0.0 -1,-0.3 0.536 131.2 16.3 -98.0 -8.7 8.2 7.9 20.9 21 30 A N S < S- 0 0 105 -3,-1.3 -1,-0.2 362,-0.1 -3,-0.2 -0.357 81.2-166.2-158.2 67.3 10.0 10.2 23.3 22 31 A P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.335 28.1-117.7 -72.1 147.5 7.8 13.1 24.3 23 32 A S T 3 S+ 0 0 131 1,-0.3 3,-0.3 9,-0.1 10,-0.1 0.756 109.0 39.9 -51.4 -41.6 9.4 16.0 26.1 24 33 A N T > S+ 0 0 69 8,-0.2 3,-2.1 1,-0.2 4,-0.3 -0.068 72.4 131.9-102.8 30.9 7.6 15.8 29.5 25 34 A L G X + 0 0 33 -3,-1.7 3,-1.9 1,-0.3 357,-0.3 0.809 62.6 68.3 -55.0 -33.7 7.6 12.0 29.8 26 35 A S G 3 S+ 0 0 116 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.722 92.6 59.3 -60.6 -22.6 8.8 12.1 33.4 27 36 A A G < S- 0 0 51 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.565 131.1 -72.5 -80.7 -9.1 5.5 13.7 34.5 28 37 A G <> - 0 0 9 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.3 -0.255 42.8-100.3 120.6 143.7 3.6 10.6 33.2 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.909 122.5 49.6 -67.5 -40.4 2.9 9.6 29.6 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 112.6 50.0 -61.6 -42.8 -0.7 10.9 29.6 31 40 A E H > S+ 0 0 57 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.887 108.6 52.8 -59.0 -41.5 0.7 14.2 31.0 32 41 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.2 0.904 112.7 43.1 -63.9 -42.5 3.4 14.3 28.3 33 42 A W H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.856 103.7 66.2 -69.9 -34.3 0.8 13.8 25.5 34 43 A A H >< S+ 0 0 20 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.607 79.3 81.2 -65.0 -12.1 -1.6 16.4 27.2 35 44 A V G X< S+ 0 0 23 -3,-0.8 3,-1.6 -4,-0.5 -1,-0.3 0.802 81.3 67.1 -59.6 -27.0 1.1 19.1 26.5 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.642 97.8 53.0 -66.2 -14.8 -0.5 19.0 23.0 37 46 A Q G < S+ 0 0 19 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.283 82.1 119.8-106.5 9.8 -3.6 20.5 24.6 38 47 A E S X S- 0 0 101 -3,-1.6 3,-2.1 1,-0.1 -3,-0.0 -0.286 81.4-103.4 -69.8 160.6 -1.9 23.4 26.3 39 48 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.667 118.6 61.7 -61.6 -18.9 -3.0 26.9 25.4 40 49 A N T 3 S+ 0 0 99 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.500 91.5 81.4 -83.2 -3.2 0.1 27.4 23.3 41 50 A V S < S- 0 0 8 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.899 72.6-135.5-114.0 122.2 -0.8 24.6 20.9 42 51 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.130 29.4-110.4 -58.3 170.2 -3.3 24.8 17.9 43 52 A D S S+ 0 0 52 1,-0.2 14,-2.6 13,-0.1 15,-0.5 0.676 107.9 37.1 -82.7 -18.1 -5.8 22.0 17.4 44 53 A L E S+ B 0 56A 10 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.958 80.0 165.8-135.5 112.9 -4.1 20.7 14.3 45 54 A V E - B 0 55A 0 10,-2.4 10,-2.4 -2,-0.4 2,-0.5 -0.858 31.6-129.7-127.5 161.8 -0.4 20.9 14.2 46 55 A W E -aB 14 54A 10 -33,-2.7 -31,-2.5 -2,-0.3 2,-0.4 -0.959 18.0-160.7-112.3 124.5 2.6 19.5 12.2 47 56 A T E - B 0 53A 0 6,-2.7 6,-2.1 -2,-0.5 -31,-0.2 -0.864 13.4-154.6 -99.8 139.7 5.5 17.9 13.9 48 57 A R > + 0 0 76 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.482 66.7 104.1 -85.6 -5.3 8.9 17.6 12.1 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.1 1,-0.2 -47,-0.1 -0.364 77.1 18.7 -72.6 156.5 9.7 14.5 14.3 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.830 141.8 -46.1 56.1 37.0 9.6 10.9 13.1 51 60 A G G < S- 0 0 64 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.1 0.150 105.4 -72.2 93.7 -16.3 9.7 11.9 9.4 52 61 A G < + 0 0 5 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.418 65.2 160.8 98.9 126.7 7.0 14.7 9.7 53 62 A H E -B 47 0A 0 -6,-2.1 -6,-2.7 254,-0.1 256,-0.2 -0.981 36.7 -98.3-166.6 159.6 3.3 14.3 10.3 54 63 A W E -Bc 46 309A 0 254,-2.8 256,-2.9 -2,-0.3 2,-0.3 -0.439 28.7-160.8 -76.7 158.5 0.1 16.1 11.4 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-2.4 254,-0.2 2,-0.5 -0.970 8.0-151.9-138.6 129.3 -1.4 15.6 14.8 56 65 A A E -B 44 0A 0 254,-2.1 -12,-0.2 -2,-0.3 259,-0.1 -0.879 10.2-171.0 -95.3 131.8 -5.0 16.4 15.8 57 66 A T + 0 0 0 -14,-2.6 2,-0.4 -2,-0.5 -13,-0.1 0.492 54.8 74.8-103.1 -6.6 -5.2 17.4 19.5 58 67 A R S > S- 0 0 9 -15,-0.5 4,-2.6 1,-0.1 3,-0.3 -0.889 73.3-129.9-120.4 142.5 -8.9 17.5 20.2 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.6 257,-0.4 5,-0.3 0.839 109.3 56.1 -48.9 -40.9 -11.7 14.9 20.6 60 69 A Q H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 112.8 40.0 -63.2 -45.7 -13.9 16.6 18.1 61 70 A L H > S+ 0 0 8 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.885 114.6 52.5 -69.9 -40.3 -11.2 16.4 15.3 62 71 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.940 112.8 44.7 -64.3 -47.0 -10.1 12.9 16.3 63 72 A R H X S+ 0 0 60 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.939 113.8 50.6 -60.1 -47.8 -13.7 11.6 16.1 64 73 A E H X S+ 0 0 73 -4,-2.2 4,-1.3 -5,-0.3 3,-0.4 0.920 112.1 45.7 -58.4 -47.3 -14.3 13.4 12.8 65 74 A A H < S+ 0 0 1 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.878 109.6 54.1 -67.0 -38.6 -11.2 12.1 11.1 66 75 A Y H < S+ 0 0 7 -4,-2.2 279,-0.5 1,-0.2 -1,-0.2 0.738 108.5 50.8 -68.8 -22.3 -11.8 8.5 12.3 67 76 A E H < S+ 0 0 124 -4,-1.4 2,-1.4 -3,-0.4 -1,-0.2 0.792 99.2 68.8 -79.4 -30.4 -15.3 8.6 10.8 68 77 A D >X + 0 0 39 -4,-1.3 4,-2.4 1,-0.2 3,-0.7 -0.556 53.1 157.3 -93.1 74.0 -14.1 9.9 7.4 69 78 A Y T 34 + 0 0 58 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.742 66.6 71.1 -69.6 -20.6 -12.2 6.8 6.1 70 79 A R T 34 S+ 0 0 180 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.884 115.8 22.4 -63.0 -36.7 -12.6 8.1 2.5 71 80 A H T <4 S+ 0 0 50 -3,-0.7 222,-2.0 1,-0.2 2,-0.7 0.767 127.2 51.2 -92.9 -34.0 -10.1 10.9 3.2 72 81 A F E < S-D 292 0A 1 -4,-2.4 2,-0.2 -7,-0.3 220,-0.2 -0.827 79.5-165.3-115.3 91.9 -8.3 9.3 6.2 73 82 A S E > -D 291 0A 3 218,-2.7 218,-2.3 -2,-0.7 3,-0.6 -0.531 24.1-149.6 -86.7 141.5 -7.2 5.8 5.2 74 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 216,-0.2 20,-0.1 0.315 76.1 100.1 -85.7 6.5 -6.0 3.0 7.6 75 84 A E T 3 S+ 0 0 116 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.835 97.0 26.8 -62.2 -30.8 -3.8 1.5 4.8 76 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.785 79.0 156.3-130.3 80.6 -0.8 3.3 6.5 77 86 A P + 0 0 2 0, 0.0 212,-2.5 0, 0.0 2,-0.3 0.556 46.6 70.1 -94.8 -6.3 -1.8 3.6 10.1 78 87 A F S S- 0 0 15 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.846 76.5-108.5-115.1 147.0 1.5 3.9 12.0 79 88 A I S S+ 0 0 4 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.891 91.3 56.6-103.1 141.3 4.1 6.5 12.2 80 89 A P S >> S- 0 0 39 0, 0.0 4,-2.1 0, 0.0 3,-1.0 0.587 88.4-124.9 -73.7 167.9 7.0 6.5 11.0 81 90 A R H 3> S+ 0 0 90 -31,-0.3 4,-2.8 1,-0.3 5,-0.2 0.834 107.7 58.0 -54.9 -40.4 6.0 5.9 7.4 82 91 A E H 3> S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.874 109.1 46.7 -61.8 -33.8 8.2 2.8 7.0 83 92 A A H <> S+ 0 0 6 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.947 113.3 47.7 -70.0 -47.2 6.2 1.2 9.8 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.7 -1,-0.2 0.858 112.2 50.9 -60.5 -35.3 2.8 2.2 8.4 85 94 A E H < S+ 0 0 131 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.920 113.0 43.3 -70.7 -43.3 3.8 1.0 5.0 86 95 A A H < S+ 0 0 30 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.848 90.6 105.8 -67.8 -33.2 5.0 -2.5 6.2 87 96 A Y < + 0 0 12 -4,-2.4 -9,-0.1 -5,-0.2 98,-0.0 -0.252 32.5 151.8 -53.6 117.2 1.9 -2.7 8.4 88 97 A D + 0 0 40 -2,-0.1 -1,-0.2 143,-0.1 143,-0.1 0.157 16.9 145.1-135.9 17.9 -0.5 -5.1 6.8 89 98 A F > - 0 0 4 145,-0.1 4,-2.6 1,-0.1 143,-0.2 -0.236 49.6 -94.6 -59.9 149.1 -2.5 -6.5 9.7 90 99 A I T 4 S+ 0 0 2 141,-1.5 145,-0.2 1,-0.2 -1,-0.1 -0.939 96.3 6.6-113.8 135.5 -6.1 -7.4 9.2 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.993 123.0 61.7 -89.8 -3.0 -8.6 -5.8 9.7 92 101 A T T 34 S+ 0 0 25 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.795 99.8 53.3 -62.4 -34.2 -6.8 -2.6 10.6 93 102 A S T 3< S+ 0 0 17 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 0.499 103.1 73.9 -78.2 -2.9 -5.0 -2.0 7.3 94 103 A M < - 0 0 12 -3,-2.1 -6,-0.0 -5,-0.2 -5,-0.0 -0.805 65.8-153.3-108.3 151.6 -8.3 -2.3 5.4 95 104 A D > - 0 0 24 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 -0.727 42.3 -29.8-114.7 170.5 -11.2 0.1 5.1 96 105 A P T 4 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.326 117.9 14.6 -60.3 145.5 -15.0 -0.4 4.4 97 106 A P T >> S+ 0 0 111 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.981 128.6 47.5 -89.4 -14.6 -16.4 -2.4 2.9 98 107 A E H >> S+ 0 0 113 -3,-0.5 4,-0.7 1,-0.3 3,-0.5 0.821 107.4 59.4 -51.6 -40.2 -13.5 -4.9 2.6 99 108 A Q H 3X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 3,-0.4 0.799 91.0 71.6 -56.5 -35.5 -12.6 -4.6 6.4 100 109 A R H <> S+ 0 0 126 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.860 89.3 55.0 -62.6 -41.9 -16.1 -5.8 7.5 101 110 A Q H < S+ 0 0 3 -4,-1.7 3,-1.0 1,-0.2 4,-0.5 0.923 110.6 52.1 -64.0 -43.2 -14.7 -13.3 11.7 106 115 A A H >X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.3 3,-1.4 0.862 102.1 61.3 -62.2 -34.0 -12.6 -11.8 14.5 107 116 A N H 3X S+ 0 0 65 -4,-2.1 4,-1.6 1,-0.3 7,-0.3 0.778 94.1 62.9 -62.1 -26.1 -15.8 -11.3 16.5 108 117 A Q H << S+ 0 0 113 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.695 113.6 35.0 -69.4 -19.7 -16.3 -15.1 16.5 109 118 A V H <4 S+ 0 0 4 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.685 136.4 15.8-108.3 -21.7 -13.1 -15.4 18.4 110 119 A V H < S+ 0 0 11 -4,-1.8 243,-0.4 100,-0.1 -3,-0.2 0.398 92.8 123.2-131.2 -0.6 -12.9 -12.3 20.7 111 120 A G S >X S- 0 0 3 -4,-1.6 4,-2.0 -5,-0.4 3,-0.9 0.000 79.1 -90.8 -61.9 165.5 -16.6 -11.0 20.7 112 121 A M H 3> S+ 0 0 73 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 124.6 56.4 -49.4 -41.9 -18.8 -10.5 23.7 113 122 A P H 3> S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.896 109.0 47.8 -62.2 -36.0 -20.3 -14.0 23.6 114 123 A V H <> S+ 0 0 33 -3,-0.9 4,-1.2 -7,-0.3 -2,-0.2 0.932 112.2 49.3 -62.7 -48.2 -16.7 -15.6 23.7 115 124 A V H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.905 106.9 54.7 -61.3 -41.9 -15.8 -13.3 26.6 116 125 A D H >< S+ 0 0 83 -4,-2.8 3,-1.4 1,-0.3 4,-0.2 0.901 106.5 52.0 -60.2 -38.8 -18.9 -14.2 28.6 117 126 A K H 3< S+ 0 0 191 -4,-1.5 3,-0.3 1,-0.3 4,-0.3 0.759 105.7 56.6 -67.1 -25.1 -18.1 -17.9 28.3 118 127 A L T S+ 0 0 62 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.890 81.0 41.2 -50.5 -57.3 -15.9 -15.5 32.9 120 129 A N H > S+ 0 0 137 -3,-0.3 4,-2.9 -4,-0.2 -1,-0.2 0.871 115.2 52.5 -59.9 -40.2 -14.9 -18.3 35.3 121 130 A R H > S+ 0 0 97 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.908 111.4 45.2 -61.5 -45.7 -11.5 -18.9 33.6 122 131 A I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.924 114.7 49.5 -63.8 -46.0 -10.6 -15.2 33.8 123 132 A Q H X S+ 0 0 56 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.926 111.3 49.0 -55.8 -50.6 -11.8 -15.1 37.5 124 133 A E H X S+ 0 0 92 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.917 111.1 48.7 -58.6 -45.1 -9.8 -18.3 38.3 125 134 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.916 113.3 46.8 -67.4 -43.4 -6.5 -17.0 36.8 126 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.959 114.3 47.5 -59.5 -50.4 -6.8 -13.6 38.5 127 136 A C H X S+ 0 0 22 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.913 113.4 47.8 -59.6 -44.2 -7.6 -15.2 41.9 128 137 A S H X S+ 0 0 45 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.927 114.3 44.9 -66.5 -44.6 -4.7 -17.7 41.6 129 138 A L H X S+ 0 0 22 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.919 116.4 46.5 -62.1 -45.3 -2.1 -15.2 40.6 130 139 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.911 110.2 51.8 -68.0 -41.5 -3.2 -12.7 43.2 131 140 A E H < S+ 0 0 65 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.859 107.7 53.7 -63.6 -32.6 -3.3 -15.3 46.0 132 141 A S H < S+ 0 0 64 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.901 116.0 38.7 -68.1 -37.8 0.2 -16.4 45.1 133 142 A L H >X S+ 0 0 10 -4,-1.7 3,-2.1 1,-0.1 4,-0.5 0.822 97.6 83.9 -74.2 -35.1 1.5 -12.8 45.4 134 143 A R G >< S+ 0 0 38 -4,-2.7 3,-0.9 1,-0.3 -1,-0.1 0.808 91.2 42.1 -45.8 -53.7 -0.7 -11.8 48.5 135 144 A P G 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.623 100.2 75.4 -73.2 -7.6 1.5 -13.2 51.4 136 145 A Q G <4 S- 0 0 116 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.702 86.4-142.4 -79.2 -22.1 4.8 -11.9 49.8 137 146 A G S << S+ 0 0 10 -3,-0.9 260,-2.4 -4,-0.5 2,-0.3 0.558 73.1 46.6 70.7 10.3 4.2 -8.2 50.7 138 147 A Q E +F 396 0B 121 -5,-0.4 2,-0.3 258,-0.3 258,-0.2 -0.968 55.8 173.5-166.8 160.2 5.7 -7.0 47.4 139 148 A C E -F 395 0B 5 256,-1.8 256,-2.7 -2,-0.3 2,-0.8 -0.956 40.5-119.5-162.3 161.3 5.8 -7.6 43.6 140 149 A N E > -F 394 0B 75 -2,-0.3 4,-2.8 254,-0.2 3,-0.3 -0.923 38.7-160.8 -96.3 94.9 7.1 -6.2 40.4 141 150 A F H >>S+ 0 0 0 252,-2.6 5,-2.6 -2,-0.8 4,-1.8 0.830 79.8 56.9 -59.6 -36.4 3.5 -5.6 39.1 142 151 A T H 4>S+ 0 0 13 1,-0.2 5,-1.9 3,-0.2 -1,-0.2 0.947 121.3 26.1 -59.2 -50.1 4.4 -5.4 35.4 143 152 A E H 45S+ 0 0 111 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.751 123.6 51.3 -87.0 -22.6 6.1 -8.9 35.3 144 153 A D H <5S- 0 0 51 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.676 134.8 -12.5 -93.3 -18.6 4.2 -10.5 38.1 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -3,-0.2 0.483 122.6 63.4-143.7 -54.1 0.6 -9.7 37.1 146 155 A A T 4 S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.834 109.1 58.0 -67.5 -32.1 1.0 -13.0 32.8 149 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.990 118.0 27.2 -61.0 -64.0 -2.7 -12.4 33.6 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 123.7 52.5 -65.3 -37.7 -3.9 -11.0 30.2 151 160 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.930 109.1 47.2 -67.4 -44.8 -1.2 -12.8 28.2 152 161 A R H X S+ 0 0 62 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.892 111.1 53.0 -63.6 -37.7 -1.9 -16.3 29.6 153 162 A I H X S+ 0 0 7 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.944 112.1 46.1 -59.2 -45.9 -5.7 -15.7 29.0 154 163 A F H X S+ 0 0 14 -4,-2.5 4,-2.7 86,-0.2 -2,-0.2 0.922 110.6 50.9 -63.2 -44.4 -4.9 -14.8 25.4 155 164 A M H X>S+ 0 0 2 -4,-2.8 5,-2.5 2,-0.2 4,-0.7 0.869 111.1 50.1 -63.8 -34.6 -2.5 -17.8 24.9 156 165 A L H ><5S+ 0 0 82 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.955 110.9 48.4 -62.3 -52.2 -5.3 -20.1 26.3 157 166 A L H 3<5S+ 0 0 27 -4,-2.5 53,-2.8 1,-0.2 -2,-0.2 0.892 117.5 42.0 -53.4 -43.3 -7.8 -18.6 23.9 158 167 A A H 3<5S- 0 0 0 -4,-2.7 53,-0.4 51,-0.2 -1,-0.2 0.501 106.9-125.4 -83.4 -8.3 -5.3 -19.0 20.9 159 168 A G T <<5 + 0 0 36 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.889 60.2 145.2 61.1 41.0 -4.2 -22.5 22.0 160 169 A L < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.837 55.4 -94.7-112.2 148.8 -0.5 -21.4 22.0 161 170 A P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.386 19.0-140.9 -66.0 130.9 2.3 -22.6 24.4 162 171 A E G > S+ 0 0 88 1,-0.3 3,-2.0 2,-0.2 -7,-0.0 0.827 100.8 69.4 -56.8 -32.3 3.0 -20.5 27.4 163 172 A E G 3 S+ 0 0 161 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.684 92.5 60.4 -58.6 -18.4 6.7 -21.2 26.9 164 173 A D G <> S+ 0 0 40 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.536 78.7 93.1 -86.8 -8.6 6.4 -19.0 23.8 165 174 A I H <> S+ 0 0 29 -3,-2.0 4,-3.2 -4,-0.2 5,-0.4 0.908 79.1 52.5 -56.0 -53.2 5.4 -15.9 25.7 166 175 A P H > S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.904 115.4 42.7 -52.8 -44.5 8.8 -14.2 26.3 167 176 A H H > S+ 0 0 98 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.940 118.0 43.4 -63.8 -52.7 9.6 -14.4 22.5 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.876 113.3 51.7 -65.7 -39.8 6.2 -13.3 21.3 169 178 A K H X S+ 0 0 16 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.920 109.5 50.0 -63.0 -43.9 5.8 -10.5 23.8 170 179 A Y H X S+ 0 0 89 -4,-1.8 4,-1.0 -5,-0.4 -2,-0.2 0.942 111.9 48.9 -58.0 -47.0 9.3 -9.1 22.9 171 180 A L H >X S+ 0 0 4 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.904 109.1 50.8 -60.7 -46.0 8.3 -9.2 19.2 172 181 A T H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.6 0.902 105.7 57.3 -60.6 -40.0 5.0 -7.4 19.7 173 182 A D H >X S+ 0 0 25 -4,-2.1 4,-3.0 1,-0.3 3,-0.6 0.771 96.5 63.8 -63.0 -25.9 6.7 -4.7 21.7 174 183 A Q H << S+ 0 0 7 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.720 101.0 52.0 -72.3 -16.8 9.0 -4.0 18.7 175 184 A M H << S+ 0 0 4 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.670 123.5 25.6 -89.5 -15.9 5.9 -2.9 16.7 176 185 A T H << S+ 0 0 3 -4,-0.6 210,-2.1 -3,-0.6 211,-0.3 0.730 140.3 13.5-116.0 -38.1 4.6 -0.5 19.3 177 186 A R S < S- 0 0 24 -4,-3.0 -2,-0.1 208,-0.2 208,-0.1 -0.490 81.1-162.1-139.1 65.0 7.7 0.7 21.3 178 187 A P - 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.180 16.0-155.8 -60.4 139.5 10.7 -0.4 19.4 179 188 A D - 0 0 90 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.463 46.9-109.0 -89.1 -4.4 14.0 -0.6 21.3 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.274 98.4 98.4 97.0 -10.5 16.0 -0.2 18.0 181 190 A S S S+ 0 0 82 1,-0.1 2,-0.4 2,-0.0 -7,-0.0 0.718 86.8 39.5 -83.9 -18.4 17.4 -3.7 17.8 182 191 A M S S- 0 0 27 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.1 -0.987 78.3-129.8-129.4 138.9 14.7 -4.8 15.3 183 192 A T > - 0 0 78 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.385 31.7-111.7 -71.2 161.3 13.1 -3.1 12.4 184 193 A F H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.943 121.2 49.7 -56.7 -48.0 9.2 -3.1 12.2 185 194 A A H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 109.3 51.2 -59.9 -40.5 9.4 -5.4 9.2 186 195 A E H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 112.0 46.0 -63.9 -47.0 11.8 -7.8 11.0 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 114.8 47.1 -62.3 -44.0 9.6 -8.0 14.0 188 197 A K H X S+ 0 0 23 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.928 111.4 51.2 -65.7 -42.9 6.4 -8.5 11.9 189 198 A E H X S+ 0 0 125 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.899 109.4 50.8 -60.5 -40.8 8.2 -11.1 9.7 190 199 A A H X S+ 0 0 26 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.897 110.9 48.2 -65.2 -40.1 9.3 -13.0 12.9 191 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 114.5 46.2 -63.8 -45.1 5.7 -13.0 14.2 192 201 A Y H X S+ 0 0 11 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.899 109.1 54.8 -63.4 -41.3 4.4 -14.2 10.8 193 202 A D H < S+ 0 0 92 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.3 48.9 -61.8 -35.0 7.2 -16.9 10.6 194 203 A Y H X S+ 0 0 36 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.910 116.0 42.5 -66.4 -44.6 6.0 -18.2 14.0 195 204 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.824 96.5 76.3 -75.6 -32.2 2.3 -18.3 12.9 196 205 A I H X S+ 0 0 79 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.883 99.4 39.3 -52.3 -53.4 2.7 -19.7 9.4 197 206 A P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.847 115.9 53.5 -67.9 -30.8 3.3 -23.4 10.3 198 207 A I H X S+ 0 0 26 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.934 110.4 46.4 -66.5 -46.0 0.7 -23.3 13.1 199 208 A I H X S+ 0 0 4 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.913 111.0 52.2 -60.7 -44.8 -1.9 -21.9 10.7 200 209 A E H < S+ 0 0 125 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.907 111.1 48.9 -56.9 -43.7 -1.0 -24.6 8.1 201 210 A Q H < S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.876 114.9 43.3 -61.9 -40.8 -1.4 -27.3 10.9 202 211 A R H >< S+ 0 0 38 -4,-2.1 3,-1.2 -5,-0.1 5,-0.3 0.625 90.9 101.4 -89.7 -12.3 -4.8 -26.0 12.0 203 212 A R T 3< S+ 0 0 32 -4,-1.7 13,-0.1 1,-0.3 9,-0.1 -0.473 91.6 13.2 -71.9 143.1 -6.2 -25.4 8.5 204 213 A Q T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.746 110.8 108.1 55.9 26.4 -8.7 -28.1 7.3 205 214 A K S < S- 0 0 132 -3,-1.2 -1,-0.2 7,-0.1 -3,-0.0 -0.951 77.7-122.2-128.9 151.5 -8.7 -29.3 10.9 206 215 A P + 0 0 129 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.211 54.3 145.4 -85.3 19.0 -11.6 -29.0 13.4 207 216 A G - 0 0 33 -5,-0.3 -2,-0.1 1,-0.1 -5,-0.0 -0.107 36.5-158.3 -51.6 149.1 -9.8 -27.1 16.2 208 217 A T + 0 0 122 4,-0.1 -1,-0.1 5,-0.0 -49,-0.1 0.299 54.7 113.6-115.5 7.2 -11.9 -24.5 18.2 209 218 A D S > S- 0 0 35 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.278 86.5 -98.9 -64.1 164.7 -9.0 -22.4 19.5 210 219 A A H > S+ 0 0 5 -53,-2.8 4,-2.3 1,-0.2 -52,-0.2 0.839 122.4 51.0 -60.9 -36.7 -9.0 -18.8 18.1 211 220 A I H > S+ 0 0 7 -53,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.928 110.6 48.8 -67.8 -45.6 -6.3 -19.5 15.5 212 221 A S H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 111.7 49.3 -55.6 -48.6 -8.2 -22.6 14.2 213 222 A I H < S+ 0 0 46 -4,-2.3 3,-0.3 2,-0.2 4,-0.2 0.936 115.5 43.4 -62.4 -45.3 -11.5 -20.6 14.0 214 223 A V H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.959 113.2 51.9 -59.7 -50.0 -9.8 -17.8 12.1 215 224 A A H 3< S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.686 116.1 40.2 -64.9 -20.4 -7.8 -20.1 9.8 216 225 A N T 3< S+ 0 0 49 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.251 89.9 124.0-111.4 10.8 -10.9 -22.0 8.8 217 226 A G < - 0 0 7 -3,-1.7 7,-2.6 -4,-0.2 2,-0.5 -0.274 58.0-129.5 -70.8 156.6 -13.2 -19.0 8.5 218 227 A Q E +H 223 0C 120 5,-0.2 2,-0.4 -117,-0.1 -2,-0.1 -0.946 30.2 173.8-107.2 127.5 -15.1 -18.2 5.3 219 228 A V E > +H 222 0C 1 3,-2.3 3,-1.3 -2,-0.5 -117,-0.0 -0.994 64.2 1.9-131.0 139.6 -14.8 -14.7 4.0 220 229 A N T 3 S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.3 -119,-0.0 0.832 129.8 -56.2 56.5 35.7 -16.2 -13.3 0.8 221 230 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.660 124.0 68.4 75.7 19.3 -17.8 -16.6 -0.2 222 231 A R E < S-H 219 0C 84 -3,-1.3 -3,-2.3 3,-0.0 -1,-0.2 -0.943 94.2 -70.8-154.4 166.5 -14.6 -18.7 -0.0 223 232 A P E -H 218 0C 72 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.434 56.1-104.4 -63.0 142.0 -12.1 -20.0 2.5 224 233 A I - 0 0 0 -7,-2.6 2,-0.1 -10,-0.2 -4,-0.0 -0.384 42.5-115.0 -57.2 141.4 -9.9 -17.4 4.1 225 234 A T > - 0 0 56 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.427 18.8-113.1 -76.6 160.0 -6.3 -17.6 2.6 226 235 A S H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 119.7 51.0 -56.7 -41.6 -3.3 -18.6 4.6 227 236 A D H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 109.8 47.4 -64.0 -47.1 -2.0 -15.1 4.2 228 237 A E H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.924 112.2 51.5 -59.1 -44.2 -5.2 -13.4 5.3 229 238 A A 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