==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-13 4L4G . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.BATABYAL,H.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.7 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 . 31 7.7 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 . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.3 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 1 1 4 0 0 2 0 2 2 0 0 2 1 0 1 0 0 1 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 3 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 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 0 188 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 -41.4 29.5 -5.9 11.1 2 11 A L - 0 0 72 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.922 360.0-129.2 -95.2 128.4 31.2 -2.5 10.4 3 12 A A - 0 0 27 45,-3.0 49,-0.0 -2,-0.5 0, 0.0 -0.586 32.8 -94.5 -79.0 141.4 31.6 -2.0 6.7 4 13 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.201 47.0 -97.7 -56.0 142.4 35.1 -1.0 5.4 5 14 A L - 0 0 53 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.422 39.4-120.5 -61.6 125.2 35.7 2.7 5.1 6 15 A P > - 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.362 24.7-112.2 -64.9 150.0 35.2 3.9 1.5 7 16 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.849 114.4 51.7 -53.6 -37.1 38.4 5.4 -0.1 8 17 A H T 3 S+ 0 0 49 2,-0.1 294,-0.2 0, 0.0 -3,-0.0 0.605 89.7 89.1 -80.5 -10.5 36.8 8.9 -0.3 9 18 A V S < S- 0 0 4 -3,-1.6 2,-0.1 292,-0.1 5,-0.1 -0.772 78.8-131.2 -92.6 119.1 35.8 9.0 3.4 10 19 A P > - 0 0 45 0, 0.0 3,-1.2 0, 0.0 36,-0.1 -0.426 10.9-131.8 -70.1 143.5 38.5 10.4 5.6 11 20 A E G > S+ 0 0 129 1,-0.3 3,-2.5 2,-0.2 35,-0.1 0.866 101.5 66.2 -64.9 -36.1 39.2 8.3 8.8 12 21 A H G 3 S+ 0 0 138 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.650 97.5 56.6 -63.6 -13.0 39.1 11.3 11.2 13 22 A L G < S+ 0 0 15 -3,-1.2 33,-2.5 32,-0.1 2,-0.3 0.408 80.4 119.4 -94.2 0.8 35.4 11.7 10.4 14 23 A V B < +a 46 0A 26 -3,-2.5 2,-0.3 31,-0.2 33,-0.2 -0.533 27.3 161.1 -72.7 127.4 34.5 8.2 11.4 15 24 A F - 0 0 55 31,-2.6 2,-2.2 -2,-0.3 30,-0.1 -0.865 33.2-141.5-142.7 108.4 32.0 7.8 14.3 16 25 A D + 0 0 61 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.375 33.9 165.5 -80.6 72.2 30.4 4.3 14.4 17 26 A F - 0 0 6 -2,-2.2 2,-0.8 32,-0.1 32,-0.3 -0.721 26.3-151.7 -88.0 127.4 26.8 5.2 15.4 18 27 A D > - 0 0 43 -2,-0.4 3,-1.3 3,-0.2 -2,-0.0 -0.871 4.0-165.2-101.5 105.6 24.2 2.4 15.0 19 28 A M T 3 S+ 0 0 0 -2,-0.8 -1,-0.1 1,-0.3 14,-0.0 0.672 89.8 47.5 -65.5 -17.2 20.8 4.0 14.4 20 29 A Y T 3 S+ 0 0 51 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.494 131.4 15.3-101.8 -7.5 19.0 0.8 15.1 21 30 A N S < S- 0 0 105 -3,-1.3 -1,-0.2 362,-0.1 -2,-0.2 -0.287 82.0-166.1-160.1 65.6 20.9 -0.1 18.3 22 31 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.268 27.5-119.3 -67.4 146.1 22.7 3.0 19.6 23 32 A S T 3 S+ 0 0 129 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.833 109.5 43.9 -50.1 -44.1 25.4 2.6 22.3 24 33 A N T > S+ 0 0 71 8,-0.3 3,-2.4 1,-0.2 4,-0.3 0.121 72.6 128.5 -96.3 24.7 23.7 4.7 25.0 25 34 A L G X + 0 0 37 -3,-1.7 3,-1.8 1,-0.3 357,-0.3 0.763 63.6 64.9 -52.8 -34.8 20.2 3.4 24.5 26 35 A S G 3 S+ 0 0 120 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.696 95.1 60.0 -63.5 -20.4 19.7 2.6 28.2 27 36 A A G < S- 0 0 48 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.570 130.3 -77.2 -82.9 -8.4 19.9 6.4 29.0 28 37 A G <> - 0 0 8 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.3 -0.221 42.5 -97.1 116.6 149.2 16.9 7.0 26.7 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 121.1 49.3 -71.7 -41.0 16.8 7.2 22.9 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 113.3 48.9 -62.1 -41.1 17.1 10.9 22.5 31 40 A E H 4 S+ 0 0 58 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.853 108.2 55.1 -62.3 -37.6 20.0 10.9 24.9 32 41 A A H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.2 -8,-0.3 0.914 111.1 42.9 -64.8 -42.4 21.6 8.1 22.9 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.832 102.0 70.2 -71.3 -30.5 21.4 10.1 19.7 34 43 A A G >< S+ 0 0 22 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.593 76.1 81.0 -66.8 -9.8 22.7 13.2 21.4 35 44 A V G X S+ 0 0 28 -3,-0.9 3,-1.6 -4,-0.4 -1,-0.3 0.816 80.8 67.9 -63.7 -24.9 26.1 11.6 21.8 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.622 97.0 55.3 -66.9 -11.4 26.5 12.7 18.2 37 46 A Q G < S+ 0 0 11 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.272 74.1 125.6-109.0 11.1 26.5 16.3 19.6 38 47 A E S X S- 0 0 101 -3,-1.6 3,-1.8 1,-0.1 -3,-0.0 -0.389 76.9-105.4 -64.5 151.6 29.3 16.0 22.1 39 48 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.726 116.8 54.4 -59.8 -28.4 32.0 18.6 21.6 40 49 A N T 3 S+ 0 0 116 2,-0.1 -1,-0.3 0, 0.0 -4,-0.1 0.739 86.9 97.5 -73.8 -24.9 34.6 16.3 20.0 41 50 A V S < S- 0 0 7 -3,-1.8 -28,-0.1 -6,-0.2 4,-0.1 -0.537 76.9-124.0 -77.1 123.5 32.2 15.0 17.4 42 51 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.169 23.9-111.3 -59.6 157.2 32.5 16.7 13.9 43 52 A D S S+ 0 0 51 1,-0.2 14,-3.0 13,-0.1 15,-0.5 0.786 108.7 33.2 -60.9 -29.4 29.4 18.3 12.4 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.972 78.3 172.7-135.6 118.5 29.3 15.7 9.8 45 54 A V E - B 0 55A 0 10,-2.4 10,-2.9 -2,-0.4 2,-0.5 -0.754 26.5-131.1-122.7 166.0 30.5 12.1 10.4 46 55 A W E -aB 14 54A 8 -33,-2.5 -31,-2.6 8,-0.3 2,-0.4 -0.981 17.1-159.2-117.6 126.2 30.6 8.7 8.7 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.0 -2,-0.5 -31,-0.2 -0.860 13.2-153.7-101.0 141.6 29.4 5.6 10.5 48 57 A R > + 0 0 70 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.430 66.8 106.0 -88.6 1.6 30.5 2.2 9.3 49 58 A C G > S+ 0 0 9 -32,-0.3 3,-2.1 1,-0.2 -47,-0.1 -0.425 76.9 15.9 -77.2 155.1 27.3 0.7 10.8 50 59 A N G 3 S- 0 0 46 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.814 141.6 -44.7 54.1 36.0 24.4 -0.5 8.7 51 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.1 0.202 105.3 -70.4 97.5 -13.2 26.4 -0.6 5.5 52 61 A G < + 0 0 5 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.520 65.2 162.6 96.2 119.2 28.1 2.8 5.9 53 62 A H E -B 47 0A 0 -6,-2.0 -6,-2.8 254,-0.1 256,-0.2 -0.987 36.3-101.5-160.4 157.5 26.5 6.2 5.7 54 63 A W E -Bc 46 309A 0 254,-2.8 256,-3.5 -2,-0.3 2,-0.4 -0.460 27.4-158.2 -75.2 155.3 27.0 9.9 6.6 55 64 A I E -Bc 45 310A 0 -10,-2.9 -10,-2.4 254,-0.2 2,-0.5 -0.966 7.5-150.4-133.8 122.1 25.3 11.5 9.6 56 65 A A E -B 44 0A 0 254,-2.2 -12,-0.2 -2,-0.4 259,-0.1 -0.810 14.6-173.7 -86.6 131.8 24.7 15.3 9.9 57 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.502 54.4 68.6-109.3 -8.0 24.8 16.1 13.6 58 67 A R S > S- 0 0 4 -15,-0.5 4,-2.3 1,-0.1 3,-0.4 -0.910 76.2-127.1-119.3 145.4 23.8 19.7 13.8 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.7 257,-0.3 5,-0.3 0.822 108.4 59.7 -57.0 -34.9 20.5 21.4 13.0 60 69 A Q H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 110.8 39.1 -61.0 -48.0 22.2 23.9 10.6 61 70 A L H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.868 114.4 54.6 -69.4 -38.2 23.5 21.1 8.4 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 111.7 43.4 -62.7 -46.3 20.3 19.0 8.7 63 72 A R H X S+ 0 0 44 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.940 113.4 52.3 -64.1 -45.4 18.1 21.9 7.5 64 73 A E H >X S+ 0 0 79 -4,-2.0 4,-1.1 -5,-0.3 3,-0.6 0.914 110.6 46.5 -60.0 -46.3 20.5 22.9 4.8 65 74 A A H 3< S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 7,-0.3 0.892 109.2 55.2 -63.8 -38.9 20.6 19.4 3.3 66 75 A Y H 3< S+ 0 0 9 -4,-1.9 279,-0.4 1,-0.2 -1,-0.2 0.715 107.7 50.4 -68.3 -20.4 16.8 19.1 3.5 67 76 A E H << S+ 0 0 121 -4,-1.3 2,-1.2 -3,-0.6 -1,-0.2 0.710 98.2 72.3 -83.0 -25.7 16.5 22.3 1.4 68 77 A D X + 0 0 34 -4,-1.1 4,-2.7 -3,-0.4 3,-0.4 -0.621 49.4 157.6 -97.5 78.0 18.9 21.1 -1.3 69 78 A Y T 4 + 0 0 76 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.684 67.4 72.0 -73.6 -17.5 17.0 18.4 -3.1 70 79 A R T 4 S+ 0 0 155 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.918 117.1 18.7 -60.7 -46.1 19.2 18.8 -6.2 71 80 A H T 4 S+ 0 0 42 -3,-0.4 222,-2.2 1,-0.2 2,-0.8 0.826 127.3 52.5 -91.9 -37.5 22.1 17.1 -4.3 72 81 A F E < S-D 292 0A 2 -4,-2.7 220,-0.2 -7,-0.3 -1,-0.2 -0.796 77.3-170.2-107.4 91.6 20.2 15.3 -1.5 73 82 A S E > -D 291 0A 3 218,-2.6 218,-2.3 -2,-0.8 3,-0.5 -0.501 26.2-145.5 -87.9 148.4 17.5 13.2 -3.2 74 83 A S T 3 S+ 0 0 0 216,-0.2 -1,-0.1 1,-0.2 20,-0.1 0.356 76.0 102.3 -92.9 7.1 14.7 11.4 -1.4 75 84 A E T 3 S+ 0 0 138 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.836 96.5 24.6 -59.1 -33.1 14.7 8.5 -3.9 76 85 A C S < S+ 0 0 5 -3,-0.5 -1,-0.3 1,-0.1 8,-0.2 -0.725 77.9 153.1-131.2 80.1 16.7 6.4 -1.4 77 86 A P + 0 0 1 0, 0.0 212,-2.4 0, 0.0 2,-0.4 0.447 45.7 76.3-100.3 0.0 15.8 7.8 2.0 78 87 A F S S- 0 0 12 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.874 75.2-111.2-112.8 144.8 16.2 4.8 4.3 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.2 4,-0.1 -28,-0.1 -0.915 91.1 58.4-102.5 138.7 19.2 3.1 5.7 80 89 A P S >> S- 0 0 40 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.539 87.9-126.7 -74.6 168.3 20.3 0.3 5.1 81 90 A R H 3> S+ 0 0 72 -31,-0.4 4,-3.0 1,-0.3 5,-0.2 0.836 107.1 59.4 -54.0 -40.1 20.8 0.8 1.4 82 91 A E H 3> S+ 0 0 137 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.866 108.8 45.6 -58.9 -38.0 18.7 -2.2 0.4 83 92 A A H <> S+ 0 0 6 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.932 112.5 50.3 -69.1 -47.8 15.7 -0.7 2.2 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.6 -1,-0.2 0.874 110.3 50.1 -56.8 -40.2 16.3 2.7 0.6 85 94 A E H < S+ 0 0 135 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.1 45.4 -68.9 -38.6 16.5 1.1 -2.8 86 95 A A H < S+ 0 0 23 -4,-1.8 2,-0.8 -5,-0.2 -1,-0.2 0.644 89.0 105.6 -74.5 -16.1 13.2 -0.8 -2.3 87 96 A Y < + 0 0 11 -4,-1.3 -9,-0.1 1,-0.2 98,-0.0 -0.545 30.8 147.4 -70.8 107.5 11.6 2.4 -0.8 88 97 A D + 0 0 43 -2,-0.8 -1,-0.2 -12,-0.1 -12,-0.1 0.081 19.1 146.5-129.5 23.8 9.2 3.6 -3.5 89 98 A F > - 0 0 1 145,-0.1 4,-2.3 1,-0.1 143,-0.2 -0.233 49.0 -94.2 -58.1 149.4 6.5 5.2 -1.4 90 99 A I T 4 S+ 0 0 0 141,-1.6 145,-0.3 1,-0.2 146,-0.2 -0.947 95.3 1.4-116.9 138.1 4.7 8.2 -2.8 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.994 124.3 62.8 -88.2 1.0 5.2 11.1 -2.3 92 101 A T T 34 S+ 0 0 23 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.786 100.2 51.4 -64.4 -32.5 8.2 10.6 -0.1 93 102 A S T 3< S+ 0 0 13 -4,-2.3 2,-0.3 -18,-0.1 -1,-0.3 0.444 100.1 84.5 -82.9 2.9 10.5 8.9 -2.6 94 103 A M < - 0 0 35 -3,-1.8 -6,-0.0 -5,-0.1 -5,-0.0 -0.798 64.2-150.5-107.6 147.4 10.0 11.7 -5.1 95 104 A D > - 0 0 32 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.692 42.6 -53.9-101.8 160.7 11.7 15.0 -5.4 96 105 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.503 117.3 30.8 -60.9 147.7 10.3 18.3 -6.8 97 106 A P T >4 S+ 0 0 95 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.972 127.5 41.4 -83.8 -19.0 8.9 18.8 -9.4 98 107 A E T 3> S+ 0 0 115 -3,-0.4 4,-0.6 1,-0.3 3,-0.3 0.795 108.9 62.4 -58.9 -32.9 7.5 15.3 -9.7 99 108 A Q H 3X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.793 87.2 75.1 -59.5 -31.1 6.6 15.1 -6.0 100 109 A R H <> S+ 0 0 124 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.858 89.7 48.8 -65.5 -46.8 4.1 18.0 -6.1 101 110 A Q H > S+ 0 0 82 -4,-0.5 4,-0.9 -3,-0.3 -1,-0.2 0.872 118.4 42.5 -60.1 -35.7 1.0 16.5 -7.8 102 111 A F H X S+ 0 0 8 -4,-0.6 4,-2.3 -3,-0.3 -2,-0.2 0.866 109.7 56.6 -78.9 -36.0 1.1 13.5 -5.5 103 112 A R H X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.855 101.0 58.7 -63.5 -35.5 1.8 15.5 -2.4 104 113 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.917 108.1 45.9 -58.0 -43.0 -1.3 17.6 -3.1 105 114 A L H X S+ 0 0 11 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.917 111.2 51.4 -68.9 -43.4 -3.4 14.4 -2.9 106 115 A A H >X S+ 0 0 3 -4,-2.3 4,-0.9 1,-0.2 3,-0.6 0.934 111.7 47.9 -58.5 -43.9 -1.6 13.2 0.3 107 116 A N H >X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 3,-0.6 0.880 103.5 62.3 -66.6 -34.2 -2.3 16.6 1.9 108 117 A Q H 3< S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.6 43.7 -58.6 -33.0 -5.9 16.4 0.8 109 118 A V H << S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.626 127.6 23.7 -93.1 -13.3 -6.5 13.3 2.9 110 119 A V H << S+ 0 0 13 -4,-0.9 243,-0.4 -3,-0.6 -2,-0.2 0.425 96.2 109.7-126.1 -2.0 -4.7 14.2 6.2 111 120 A G S >X S- 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 3,-1.2 0.091 86.6 -75.2 -74.7-176.5 -4.6 18.1 6.2 112 121 A M H 3> S+ 0 0 78 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.806 125.0 59.6 -51.0 -39.1 -6.4 20.6 8.4 113 122 A P H 3> S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.881 107.9 47.9 -61.4 -32.4 -9.9 20.3 6.7 114 123 A V H <> S+ 0 0 15 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.897 110.1 51.8 -70.0 -40.9 -9.8 16.6 7.7 115 124 A V H < S+ 0 0 0 -4,-1.7 4,-0.2 2,-0.2 7,-0.2 0.936 112.2 46.1 -59.1 -45.9 -8.8 17.5 11.2 116 125 A D H >< S+ 0 0 100 -4,-2.9 3,-1.2 1,-0.2 4,-0.3 0.916 111.9 51.6 -62.9 -43.3 -11.7 20.0 11.4 117 126 A K H 3< S+ 0 0 136 -4,-2.1 3,-0.3 1,-0.3 4,-0.2 0.888 115.6 41.7 -58.9 -41.3 -14.1 17.4 9.9 118 127 A L T 3X S+ 0 0 18 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.277 80.3 113.8 -93.3 9.5 -13.0 14.8 12.5 119 128 A E H <> S+ 0 0 62 -3,-1.2 4,-2.4 -4,-0.2 5,-0.2 0.904 80.2 41.7 -51.9 -53.0 -12.9 17.1 15.6 120 129 A N H > S+ 0 0 117 -3,-0.3 4,-3.3 -4,-0.3 -1,-0.2 0.897 114.5 52.4 -64.5 -38.4 -15.8 15.5 17.5 121 130 A R H > S+ 0 0 142 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 110.6 47.6 -61.9 -44.6 -14.6 12.0 16.6 122 131 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.937 115.7 44.8 -61.5 -46.6 -11.1 12.7 17.9 123 132 A Q H X S+ 0 0 63 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.928 113.8 50.1 -62.2 -46.4 -12.5 14.2 21.1 124 133 A E H X S+ 0 0 96 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.860 109.9 50.0 -62.0 -39.5 -15.0 11.4 21.5 125 134 A L H X S+ 0 0 30 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.906 111.1 47.3 -70.7 -40.7 -12.4 8.6 21.1 126 135 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.948 115.2 47.6 -63.2 -46.4 -10.0 10.1 23.6 127 136 A C H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.911 112.1 48.3 -60.4 -45.7 -12.8 10.6 26.1 128 137 A S H X S+ 0 0 65 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.927 112.4 48.1 -65.7 -45.8 -14.2 7.1 25.6 129 138 A L H X S+ 0 0 13 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.951 113.6 46.7 -57.0 -52.5 -10.8 5.4 26.0 130 139 A I H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.892 111.0 52.0 -60.7 -41.4 -9.9 7.4 29.1 131 140 A E H < S+ 0 0 68 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.884 111.3 47.4 -63.8 -37.5 -13.3 6.7 30.7 132 141 A S H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.852 119.8 40.3 -69.6 -33.7 -12.9 3.0 30.1 133 142 A L H >X S+ 0 0 23 -4,-2.1 3,-1.9 -5,-0.2 4,-0.5 0.844 97.7 74.1 -83.6 -37.5 -9.4 3.1 31.5 134 143 A R G >< S+ 0 0 46 -4,-3.3 3,-1.0 1,-0.3 -1,-0.1 0.812 90.5 53.9 -57.0 -39.9 -9.6 5.4 34.5 135 144 A P G 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.682 98.3 68.6 -70.8 -8.1 -11.5 3.2 37.0 136 145 A Q G <4 S- 0 0 126 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.719 90.3-141.8 -81.4 -24.7 -8.8 0.5 36.6 137 146 A G S << S+ 0 0 10 -3,-1.0 260,-2.3 -4,-0.5 2,-0.3 0.590 74.0 47.9 76.3 9.0 -6.0 2.4 38.3 138 147 A Q E +F 396 0B 130 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.960 55.9 173.0-169.6 153.6 -3.4 1.0 35.8 139 148 A C E -F 395 0B 7 256,-1.6 256,-2.6 -2,-0.3 2,-1.0 -0.969 41.3-116.3-159.1 159.3 -2.8 0.5 32.1 140 149 A N E > -F 394 0B 82 -2,-0.3 4,-3.0 254,-0.2 3,-0.4 -0.896 39.8-159.0 -90.6 98.6 -0.1 -0.5 29.7 141 150 A F H >>S+ 0 0 0 252,-2.7 5,-2.7 -2,-1.0 4,-1.9 0.834 81.9 50.9 -58.9 -39.9 -0.1 2.9 28.1 142 151 A T H 4>S+ 0 0 14 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.914 122.5 32.9 -63.1 -39.4 1.5 2.0 24.7 143 152 A E H 45S+ 0 0 121 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.787 123.7 43.8 -84.8 -33.2 -1.0 -0.8 24.2 144 153 A D H <5S- 0 0 50 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.622 136.0 -6.9 -98.0 -16.8 -4.0 0.7 25.9 145 154 A Y T X5S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -3,-0.2 0.489 121.6 61.7-140.9 -51.8 -4.0 4.3 24.7 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.805 106.9 59.9 -67.1 -28.1 -5.6 2.7 19.8 149 158 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 5,-0.1 0.992 117.3 25.9 -65.5 -60.0 -6.2 6.5 20.0 150 159 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.861 123.1 54.7 -72.1 -29.0 -4.4 7.7 16.9 151 160 A I H X S+ 0 0 8 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.938 107.7 47.1 -71.2 -44.7 -4.7 4.3 15.1 152 161 A R H X S+ 0 0 79 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.873 113.0 51.3 -60.2 -37.6 -8.5 4.1 15.4 153 162 A I H X S+ 0 0 4 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.935 112.3 46.3 -63.1 -44.7 -8.6 7.7 14.2 154 163 A F H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.918 111.3 49.8 -63.9 -43.2 -6.4 6.8 11.2 155 164 A M H X>S+ 0 0 2 -4,-3.1 5,-2.4 2,-0.2 4,-0.9 0.872 111.7 50.8 -65.8 -34.0 -8.4 3.7 10.3 156 165 A L H ><5S+ 0 0 85 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.960 111.9 46.2 -59.1 -54.0 -11.6 5.9 10.5 157 166 A L H 3<5S+ 0 0 16 -4,-2.5 53,-2.4 1,-0.3 -2,-0.2 0.851 117.2 44.9 -57.6 -36.9 -10.0 8.4 8.2 158 167 A A H 3<5S- 0 0 1 -4,-2.5 53,-0.6 51,-0.2 -1,-0.3 0.535 106.5-124.5 -91.0 -9.0 -8.8 5.7 5.9 159 168 A G T <<5 + 0 0 34 -3,-0.9 -3,-0.2 -4,-0.9 -4,-0.1 0.817 62.3 142.0 68.4 31.1 -12.1 3.7 5.9 160 169 A L < - 0 0 11 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.823 56.0-105.0-108.2 144.8 -10.3 0.6 7.0 161 170 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.435 17.8-134.5 -73.8 137.0 -11.7 -2.0 9.4 162 171 A E G > S+ 0 0 99 1,-0.3 3,-2.0 -2,-0.2 -7,-0.0 0.732 98.3 78.2 -58.6 -26.1 -10.2 -2.0 12.9 163 172 A E G 3 S+ 0 0 160 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.780 90.8 55.3 -51.2 -28.9 -10.0 -5.9 12.7 164 173 A D G <> S+ 0 0 43 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.472 77.6 99.4 -89.5 -0.9 -6.8 -5.4 10.6 165 174 A I H <> S+ 0 0 32 -3,-2.0 4,-3.2 1,-0.2 5,-0.3 0.893 77.8 52.2 -55.9 -47.0 -5.0 -3.2 13.1 166 175 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.932 113.5 45.7 -58.0 -43.9 -2.7 -5.9 14.6 167 176 A H H > S+ 0 0 93 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.922 116.7 43.5 -60.3 -49.3 -1.5 -7.0 11.1 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.877 112.1 52.4 -69.6 -38.3 -1.0 -3.4 9.8 169 178 A G H X S+ 0 0 14 -4,-3.2 4,-2.4 -5,-0.3 -1,-0.2 0.889 110.7 49.5 -62.9 -39.1 0.8 -2.3 13.0 170 179 A Y H X S+ 0 0 86 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.942 111.1 48.0 -63.9 -49.9 3.1 -5.2 12.7 171 180 A L H X S+ 0 0 3 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.896 114.0 46.2 -60.2 -42.3 4.0 -4.6 9.1 172 181 A T H >X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.9 0.906 106.8 58.6 -70.9 -39.6 4.6 -0.9 9.7 173 182 A D H >X S+ 0 0 60 -4,-2.4 4,-3.1 1,-0.2 3,-0.8 0.882 102.3 56.7 -48.1 -41.5 6.7 -1.7 12.9 174 183 A Q H 3< S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.732 103.0 52.8 -70.7 -20.5 9.0 -3.8 10.6 175 184 A M H << S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.680 123.7 25.3 -88.2 -16.5 9.7 -0.8 8.3 176 185 A T H << S+ 0 0 2 -4,-0.9 210,-2.1 -3,-0.8 211,-0.4 0.726 140.3 16.2-114.5 -36.3 10.8 1.5 11.1 177 186 A R S < S- 0 0 18 -4,-3.1 -2,-0.2 -5,-0.3 208,-0.1 -0.487 81.2-163.2-136.0 64.1 12.1 -0.8 13.9 178 187 A P - 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.228 13.6-162.1 -61.1 133.7 12.6 -4.2 12.3 179 188 A D - 0 0 98 3,-0.0 -5,-0.1 0, 0.0 -6,-0.0 0.439 53.8 -98.4 -90.4 -2.7 12.8 -7.1 14.7 180 189 A G S S+ 0 0 69 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.286 101.1 104.4 106.0 -10.1 14.4 -9.3 12.1 181 190 A S S S+ 0 0 63 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.771 89.7 20.6 -72.1 -26.6 11.3 -11.2 11.0 182 191 A M S S- 0 0 37 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -1.000 72.5-125.4-143.9 141.8 11.1 -9.2 7.8 183 192 A T > - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.417 40.0-107.1 -69.7 161.3 13.2 -7.0 5.5 184 193 A F H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.942 122.3 51.6 -53.2 -47.8 11.9 -3.5 4.8 185 194 A A H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 108.2 50.5 -61.6 -38.9 11.1 -4.6 1.2 186 195 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 113.2 45.9 -66.7 -40.7 9.1 -7.7 2.5 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 112.4 50.7 -68.0 -42.3 7.1 -5.6 4.8 188 197 A K H X S+ 0 0 10 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.934 111.1 48.1 -56.4 -49.9 6.5 -2.9 2.2 189 198 A E H X S+ 0 0 103 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.889 109.9 52.6 -64.1 -37.3 5.3 -5.5 -0.3 190 199 A A H X S+ 0 0 30 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.906 111.6 46.1 -63.0 -42.0 3.0 -7.1 2.3 191 200 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.927 112.1 50.8 -67.4 -45.6 1.4 -3.7 3.0 192 201 A Y H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.907 109.6 51.1 -54.9 -43.6 1.1 -3.0 -0.7 193 202 A D H < S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.1 53.6 -68.0 -32.8 -0.6 -6.3 -1.2 194 203 A Y H < S+ 0 0 32 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.899 115.1 41.4 -63.5 -41.5 -3.1 -5.6 1.6 195 204 A L H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.7 0.823 95.3 75.6 -80.7 -34.1 -4.1 -2.4 -0.0 196 205 A I H 3X S+ 0 0 42 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.882 96.7 46.4 -55.9 -41.3 -4.3 -3.2 -3.7 197 206 A P H 3> S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.855 113.9 50.7 -68.5 -28.6 -7.6 -5.0 -3.6 198 207 A I H <> S+ 0 0 23 -3,-0.7 4,-1.6 -4,-0.5 -2,-0.2 0.913 110.0 49.3 -71.2 -42.9 -9.1 -2.3 -1.5 199 208 A I H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.919 110.0 51.8 -59.4 -43.9 -7.9 0.4 -3.9 200 209 A E H X S+ 0 0 78 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.870 109.2 50.4 -61.8 -37.2 -9.4 -1.6 -6.8 201 210 A Q H X S+ 0 0 126 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.834 114.8 43.2 -66.8 -33.5 -12.8 -1.8 -5.0 202 211 A R H < S+ 0 0 44 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.596 97.5 71.3 -99.3 -8.9 -12.8 2.0 -4.3 203 212 A R H < S+ 0 0 90 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.907 102.8 45.7 -64.6 -45.3 -11.6 3.2 -7.7 204 213 A Q H < S+ 0 0 142 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.1 0.980 122.8 31.2 -62.4 -60.5 -15.0 2.2 -9.3 205 214 A K S < S- 0 0 177 -4,-0.9 -1,-0.3 0, 0.0 -2,-0.1 -0.814 89.7-148.5-109.7 90.6 -17.3 3.6 -6.6 206 215 A P + 0 0 92 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.144 22.5 170.6 -65.5 150.7 -15.6 6.7 -5.1 207 216 A G - 0 0 32 2,-0.2 9,-0.1 -5,-0.2 -5,-0.0 -0.604 44.3 -87.5-144.2-161.4 -16.0 7.9 -1.5 208 217 A T S S+ 0 0 115 -2,-0.2 2,-0.1 4,-0.1 -49,-0.1 0.540 85.5 96.3 -97.6 -15.7 -15.1 10.1 1.4 209 218 A D S > S- 0 0 23 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.368 85.6-108.4 -80.8 161.4 -12.3 8.0 3.0 210 219 A A H > S+ 0 0 5 -53,-2.4 4,-2.6 1,-0.2 5,-0.2 0.843 116.7 52.8 -57.9 -40.6 -8.6 8.6 2.3 211 220 A I H > S+ 0 0 2 -53,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.941 110.7 47.0 -66.3 -44.7 -8.1 5.5 0.2 212 221 A S H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.916 112.3 50.9 -57.7 -46.4 -11.1 6.4 -2.1 213 222 A I H < S+ 0 0 44 -4,-2.3 3,-0.2 2,-0.2 -2,-0.2 0.941 114.3 42.6 -60.8 -49.5 -9.8 10.0 -2.4 214 223 A V H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.950 114.2 51.6 -58.5 -48.6 -6.3 8.9 -3.4 215 224 A A H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.735 115.3 41.9 -64.5 -27.2 -7.6 6.1 -5.7 216 225 A N T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.247 93.5 121.8-102.6 12.1 -9.8 8.6 -7.6 217 226 A G < - 0 0 10 -3,-1.8 7,-2.1 -4,-0.2 2,-0.4 -0.140 57.6-129.8 -74.0 166.0 -7.3 11.4 -7.7 218 227 A Q E +H 223 0C 138 5,-0.2 2,-0.4 -117,-0.1 -113,-0.1 -0.972 26.8 176.2-114.8 133.5 -5.9 13.2 -10.7 219 228 A V E > -H 222 0C 0 3,-2.7 3,-1.6 -2,-0.4 -117,-0.0 -0.998 66.6 -2.3-135.9 137.7 -2.1 13.6 -11.1 220 229 A N T 3 S- 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 -122,-0.0 0.824 129.8 -56.5 55.0 34.2 -0.2 15.1 -14.0 221 230 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.691 122.9 79.7 74.7 21.2 -3.4 15.7 -15.9 222 231 A R E < S-H 219 0C 85 -3,-1.6 -3,-2.7 3,-0.0 -1,-0.2 -0.952 90.1 -76.8-150.6 162.8 -4.5 12.1 -15.8 223 232 A P E -H 218 0C 96 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.443 51.3-110.9 -64.9 140.8 -6.1 9.5 -13.5 224 233 A I - 0 0 0 -7,-2.1 2,-0.1 -10,-0.2 -4,-0.0 -0.449 37.6-120.2 -64.4 140.9 -3.8 8.1 -10.8 225 234 A T > - 0 0 52 1,-0.1 4,-2.7 -2,-0.1 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