==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-99 1CMN . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR S.-Y.PARK,Y.SHIRO . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 3 0 2 0 2 2 0 2 2 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 5 A A 0 0 84 0, 0.0 29,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 118.4 32.2 -11.0 21.8 2 6 A P - 0 0 73 0, 0.0 29,-3.0 0, 0.0 2,-0.1 -0.343 360.0 -93.1 -74.3 156.2 35.4 -11.3 19.7 3 7 A S B -a 31 0A 90 27,-0.2 29,-0.2 -2,-0.0 30,-0.0 -0.435 52.4-117.4 -69.1 140.1 38.9 -11.0 21.3 4 8 A F S S+ 0 0 9 27,-2.6 29,-0.4 -2,-0.1 2,-0.2 -0.986 83.7 48.9-137.3 147.8 40.5 -7.6 21.2 5 9 A P S S- 0 0 50 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.417 82.9-142.6 -63.3 157.1 42.8 -6.1 20.1 6 10 A F - 0 0 16 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.383 13.3-110.8 -86.2 168.6 42.3 -7.4 16.5 7 11 A S - 0 0 62 -2,-0.1 9,-0.5 7,-0.1 10,-0.3 -0.787 37.2 -98.1-102.3 146.5 45.2 -8.3 14.2 8 12 A R - 0 0 11 378,-3.0 3,-0.1 -2,-0.3 -1,-0.1 -0.305 27.3-124.4 -61.0 145.6 46.0 -6.3 11.0 9 13 A A S S- 0 0 52 5,-1.5 2,-0.3 1,-0.2 -1,-0.1 0.748 86.8 -25.5 -63.2 -24.2 44.5 -7.8 7.8 10 14 A S B > S-F 13 0B 35 3,-0.6 3,-1.6 1,-0.1 -1,-0.2 -0.947 89.9 -64.2-174.5 172.1 48.0 -7.8 6.4 11 15 A G T 3 S+ 0 0 14 -2,-0.3 380,-0.3 1,-0.3 373,-0.2 0.843 131.6 21.7 -35.5 -63.1 51.3 -6.0 6.8 12 16 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 378,-0.0 0.299 110.7 91.6 -94.3 9.6 50.2 -2.5 5.7 13 17 A E B < S-F 10 0B 96 -3,-1.6 -3,-0.6 1,-0.1 3,-0.1 -0.759 71.7-121.1-109.6 152.7 46.5 -3.0 6.3 14 18 A P - 0 0 21 0, 0.0 -5,-1.5 0, 0.0 -7,-0.1 -0.299 55.0 -67.6 -79.8 169.1 44.3 -2.3 9.4 15 19 A P > - 0 0 13 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.330 42.3-135.5 -56.2 140.8 42.2 -5.0 11.1 16 20 A A T 3> S+ 0 0 47 -9,-0.5 4,-0.8 1,-0.2 3,-0.3 0.705 94.5 74.6 -72.1 -20.2 39.5 -6.2 8.7 17 21 A E H 3> S+ 0 0 74 -10,-0.3 4,-2.1 1,-0.2 3,-0.3 0.859 82.7 65.9 -61.8 -39.1 36.9 -6.2 11.5 18 22 A F H <> S+ 0 0 6 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.873 96.4 52.0 -53.8 -48.8 36.5 -2.4 11.7 19 23 A A H > S+ 0 0 44 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.907 112.5 47.7 -56.5 -42.4 34.9 -1.8 8.3 20 24 A K H X S+ 0 0 144 -4,-0.8 4,-2.1 -3,-0.3 5,-0.4 0.889 112.3 49.0 -65.9 -41.0 32.3 -4.5 9.1 21 25 A L H X S+ 0 0 26 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.897 106.9 54.7 -67.1 -41.3 31.6 -3.0 12.5 22 26 A R H < S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 114.7 42.5 -60.9 -32.5 31.2 0.5 11.1 23 27 A A H < S+ 0 0 82 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.841 134.0 10.9 -84.7 -35.3 28.6 -0.8 8.7 24 28 A T H < S+ 0 0 120 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.568 137.7 18.6-122.1 -13.6 26.5 -3.2 10.9 25 29 A N < + 0 0 58 -4,-2.3 -2,-0.1 -5,-0.4 -3,-0.1 -0.341 58.2 171.6-160.8 68.4 27.5 -2.7 14.6 26 30 A P S S+ 0 0 40 0, 0.0 16,-1.7 0, 0.0 2,-0.5 0.761 78.9 37.3 -51.0 -37.4 29.3 0.7 15.2 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.947 83.9 146.2-123.7 108.9 29.3 0.4 19.0 28 32 A S E - B 0 40A 9 12,-2.0 12,-4.0 -2,-0.5 2,-0.4 -0.901 46.0-100.2-139.8 167.9 29.8 -3.2 20.2 29 33 A Q E - B 0 39A 68 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.717 31.9-171.9 -94.3 138.7 31.4 -5.2 23.0 30 34 A V E - B 0 38A 0 8,-2.8 8,-1.7 -2,-0.4 2,-0.5 -0.894 23.9-118.0-124.3 156.0 34.7 -7.0 22.7 31 35 A K E -aB 3 37A 79 -29,-3.0 -27,-2.6 -2,-0.3 6,-0.2 -0.845 26.4-147.9 -99.7 125.5 36.4 -9.4 25.0 32 36 A L > - 0 0 5 4,-3.4 3,-2.8 -2,-0.5 36,-0.1 -0.423 33.5 -94.6 -86.7 164.9 39.8 -8.4 26.5 33 37 A F T 3 S+ 0 0 96 -29,-0.4 35,-0.1 1,-0.3 -1,-0.1 0.762 124.8 51.6 -49.1 -33.9 42.7 -10.7 27.4 34 38 A D T 3 S- 0 0 66 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.433 122.3-104.1 -86.6 1.7 41.5 -11.1 31.0 35 39 A G S < S+ 0 0 32 -3,-2.8 -2,-0.1 1,-0.3 2,-0.0 0.283 79.5 131.6 95.7 -10.9 38.0 -12.1 29.9 36 40 A S - 0 0 49 -5,-0.1 -4,-3.4 1,-0.1 -1,-0.3 -0.339 53.1-124.2 -73.4 157.9 36.5 -8.7 30.7 37 41 A L E +B 31 0A 82 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.668 27.9 177.9-101.8 157.5 34.3 -6.9 28.2 38 42 A A E -Bc 30 306A 2 -8,-1.7 -8,-2.8 -2,-0.2 2,-0.5 -0.971 32.3-104.8-153.0 158.6 34.7 -3.4 26.9 39 43 A W E -Bc 29 307A 23 267,-2.8 269,-3.1 -2,-0.3 2,-0.6 -0.781 26.7-153.9 -93.2 128.5 32.9 -1.2 24.4 40 44 A L E -Bc 28 308A 0 -12,-4.0 -12,-2.0 -2,-0.5 2,-0.5 -0.912 6.9-163.2-105.1 120.5 34.5 -0.8 21.0 41 45 A V E +Bc 27 309A 0 267,-2.6 269,-2.3 -2,-0.6 -14,-0.2 -0.893 15.1 169.5-104.5 129.6 33.6 2.5 19.2 42 46 A T + 0 0 0 -16,-1.7 2,-0.3 -2,-0.5 -20,-0.1 0.553 43.2 90.3-119.0 -11.9 34.4 2.6 15.4 43 47 A K S > S- 0 0 18 -17,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.725 73.1-126.4 -95.2 141.5 32.7 5.7 13.9 44 48 A H H > S+ 0 0 8 -2,-0.3 4,-2.5 270,-0.3 5,-0.2 0.890 109.9 49.0 -44.8 -54.4 34.4 9.1 13.6 45 49 A K H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 114.3 46.3 -57.3 -40.1 31.6 11.0 15.4 46 50 A D H > S+ 0 0 20 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.853 109.7 52.7 -73.7 -35.6 31.5 8.4 18.2 47 51 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.922 109.4 50.4 -65.6 -41.2 35.3 8.4 18.7 48 52 A C H X S+ 0 0 21 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.890 109.6 51.6 -62.7 -38.5 35.3 12.2 18.9 49 53 A F H >X S+ 0 0 85 -4,-1.6 4,-2.2 -5,-0.2 3,-0.6 0.935 110.4 47.4 -63.5 -47.3 32.5 12.0 21.6 50 54 A V H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 108.7 55.6 -61.5 -41.4 34.5 9.5 23.6 51 55 A A H 3< S+ 0 0 6 -4,-2.4 295,-0.4 1,-0.2 294,-0.3 0.741 120.2 29.3 -64.7 -23.8 37.6 11.6 23.4 52 56 A T H << S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.579 83.7 120.6-114.4 -13.2 35.9 14.7 24.8 53 57 A S >< - 0 0 17 -4,-2.2 3,-1.2 1,-0.2 -4,-0.0 -0.329 49.4-153.8 -59.6 128.1 33.1 13.4 27.2 54 58 A E T 3 S+ 0 0 169 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.556 92.5 68.8 -77.3 -8.3 33.5 14.7 30.7 55 59 A K T 3 S+ 0 0 93 236,-0.0 236,-3.0 2,-0.0 237,-0.8 0.444 91.0 77.4 -87.8 -1.6 31.6 11.6 31.9 56 60 A L E < -D 290 0A 7 -3,-1.2 2,-0.3 234,-0.2 234,-0.2 -0.850 67.7-153.1-111.5 146.9 34.6 9.4 30.9 57 61 A S E -D 289 0A 0 232,-2.6 232,-1.4 -2,-0.3 29,-0.1 -0.892 22.5-162.7-124.4 150.9 37.9 8.9 32.7 58 62 A K + 0 0 18 -2,-0.3 2,-0.3 230,-0.2 -1,-0.1 0.459 55.3 122.6-103.3 -6.4 41.5 8.0 31.8 59 63 A V > - 0 0 40 1,-0.2 3,-1.2 230,-0.1 26,-0.1 -0.424 51.6-155.5 -62.7 118.1 42.4 7.1 35.4 60 64 A R T 3 S+ 0 0 58 24,-0.4 -1,-0.2 -2,-0.3 5,-0.1 0.505 83.9 70.5 -76.6 -4.5 43.6 3.5 35.3 61 65 A T T 3 S+ 0 0 119 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 0.462 75.9 102.1 -89.6 -1.6 42.9 2.7 39.0 62 66 A R S X S- 0 0 98 -3,-1.2 3,-1.7 1,-0.1 2,-0.1 -0.687 84.6-113.1 -82.4 129.8 39.1 2.8 38.2 63 67 A Q T 3 S+ 0 0 171 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.419 102.2 39.1 -64.2 134.8 37.7 -0.7 37.9 64 68 A G T 3 S+ 0 0 30 1,-0.4 -1,-0.2 -2,-0.1 224,-0.1 0.237 74.0 146.0 109.5 -12.5 36.6 -1.3 34.3 65 69 A F < - 0 0 23 -3,-1.7 2,-1.8 -5,-0.1 -1,-0.4 -0.395 56.5-118.6 -60.8 130.6 39.5 0.4 32.6 66 70 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.456 38.0 177.1 -74.9 77.0 40.3 -1.5 29.4 67 71 A E - 0 0 11 -2,-1.8 -33,-0.3 1,-0.1 -34,-0.1 -0.664 15.3-158.8 -77.7 134.1 43.9 -2.7 29.9 68 72 A L + 0 0 25 -2,-0.4 2,-0.3 -36,-0.1 -35,-0.3 0.493 64.5 26.0 -96.5 -3.9 44.7 -4.8 26.8 69 73 A S S > S- 0 0 46 1,-0.1 4,-1.7 -37,-0.1 5,-0.1 -0.971 79.1-107.2-152.1 165.2 47.6 -6.9 28.1 70 74 A A H > S+ 0 0 53 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.877 119.8 52.7 -61.8 -38.2 49.1 -8.3 31.3 71 75 A S H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.900 106.1 52.5 -65.3 -41.5 51.9 -5.7 31.2 72 76 A G H > S+ 0 0 13 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.864 107.1 53.7 -62.3 -35.4 49.5 -2.8 30.8 73 77 A K H < S+ 0 0 75 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.3 41.6 -67.0 -38.1 47.6 -4.1 33.9 74 78 A Q H >< S+ 0 0 120 -4,-1.6 3,-1.7 1,-0.2 4,-0.3 0.865 109.8 57.3 -76.9 -36.3 50.9 -4.1 36.0 75 79 A A H >< S+ 0 0 58 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.747 94.2 70.2 -64.8 -22.6 52.1 -0.8 34.5 76 80 A A T 3< S+ 0 0 14 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.509 84.4 70.8 -73.9 -4.1 48.8 0.8 35.8 77 81 A K T < S+ 0 0 147 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.701 80.1 91.3 -86.0 -20.7 50.0 0.4 39.4 78 82 A A S < S- 0 0 71 -3,-1.0 -3,-0.0 -4,-0.3 0, 0.0 -0.248 95.4 -82.1 -74.0 162.3 52.7 3.1 39.2 79 83 A K - 0 0 149 1,-0.1 -1,-0.1 -2,-0.0 2,-0.1 -0.424 59.3-118.0 -60.7 133.4 52.2 6.8 40.0 80 84 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.402 19.7-153.0 -81.3 155.1 50.6 8.4 36.9 81 85 A T > - 0 0 19 -2,-0.1 3,-2.1 146,-0.1 9,-0.1 -0.595 50.6 -78.2-109.2 175.8 51.9 11.2 34.7 82 86 A F G > S+ 0 0 11 1,-0.3 3,-1.5 -2,-0.2 12,-0.1 0.685 122.4 73.2 -54.1 -21.1 49.5 13.5 32.7 83 87 A V G 3 S+ 0 0 50 1,-0.3 -1,-0.3 11,-0.0 7,-0.0 0.805 106.2 37.1 -64.3 -26.9 48.8 10.8 30.0 84 88 A D G < S+ 0 0 27 -3,-2.1 -24,-0.4 2,-0.1 -1,-0.3 0.065 101.9 104.1-111.7 24.4 46.7 8.9 32.5 85 89 A M < - 0 0 30 -3,-1.5 -4,-0.0 -26,-0.1 -3,-0.0 -0.730 54.4-148.3-109.3 157.4 45.1 11.9 34.3 86 90 A D >> - 0 0 15 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.670 50.3 -38.9-110.9 166.8 41.7 13.6 34.2 87 91 A P T 34 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 258,-0.0 -0.397 120.2 18.7 -66.0 149.4 41.1 17.4 34.7 88 92 A P T 3> S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.993 127.8 48.0 -90.7 -6.1 42.3 19.4 36.6 89 93 A E H <> S+ 0 0 109 -3,-0.6 4,-1.7 1,-0.2 5,-0.3 0.885 106.0 63.9 -57.9 -39.4 45.4 17.2 37.3 90 94 A H H >X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 3,-0.6 0.950 109.7 31.8 -50.8 -66.0 45.9 16.6 33.5 91 95 A M H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.762 110.4 67.9 -68.6 -23.9 46.6 20.2 32.3 92 96 A H H 3< S+ 0 0 121 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.896 115.4 27.4 -62.2 -38.1 48.3 21.1 35.6 93 97 A Q H X< S+ 0 0 18 -4,-1.7 3,-1.5 -3,-0.6 4,-0.5 0.869 119.6 54.8 -89.7 -42.2 51.1 18.7 34.7 94 98 A R H >X S+ 0 0 25 -4,-2.8 3,-1.8 -5,-0.3 4,-1.0 0.894 101.6 59.2 -59.1 -40.0 50.9 18.8 30.9 95 99 A S T 3< S+ 0 0 62 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.681 91.1 72.6 -63.9 -14.8 51.2 22.6 30.9 96 100 A M T <4 S+ 0 0 11 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.784 114.1 21.7 -69.7 -25.4 54.5 22.2 32.6 97 101 A V T X4 S+ 0 0 5 -3,-1.8 3,-0.6 -4,-0.5 4,-0.4 0.373 95.9 95.6-124.1 4.1 56.0 20.9 29.3 98 102 A E G >X + 0 0 54 -4,-1.0 3,-1.7 1,-0.2 4,-0.7 0.819 65.0 80.5 -66.5 -32.8 53.7 22.2 26.6 99 103 A P G >4 S+ 0 0 77 0, 0.0 3,-0.8 0, 0.0 6,-0.2 0.832 90.6 51.2 -42.6 -45.6 55.8 25.4 25.8 100 104 A T G <4 S+ 0 0 21 -3,-0.6 -2,-0.1 1,-0.2 -3,-0.0 0.769 112.3 48.2 -67.2 -23.8 58.3 23.5 23.6 101 105 A F G <4 S+ 0 0 6 -3,-1.7 251,-0.3 -4,-0.4 252,-0.2 0.447 77.8 120.2 -99.6 -1.2 55.5 21.9 21.5 102 106 A T S S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.900 119.8 50.4 -53.5 -40.8 52.8 25.6 17.0 104 108 A E H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.929 110.2 48.4 -63.6 -46.6 54.8 28.8 17.3 105 109 A A H > S+ 0 0 24 -6,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.881 112.3 49.3 -61.6 -39.4 57.7 27.0 19.1 106 110 A V H X S+ 0 0 9 -4,-2.5 4,-0.8 2,-0.2 3,-0.4 0.889 107.1 54.4 -68.5 -38.9 57.7 24.3 16.4 107 111 A K H >< S+ 0 0 131 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.901 110.5 47.3 -59.9 -39.5 57.8 26.8 13.6 108 112 A N H 3< S+ 0 0 116 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.674 108.1 56.3 -75.4 -17.9 60.8 28.3 15.3 109 113 A L H >X S+ 0 0 33 -4,-0.8 4,-2.3 -3,-0.4 3,-0.7 0.571 79.5 97.5 -87.9 -11.2 62.4 24.9 15.6 110 114 A Q H S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.885 111.8 48.4 -57.9 -36.2 65.7 25.2 11.0 112 116 A Y H <> S+ 0 0 42 -3,-0.7 4,-2.2 -4,-0.2 -2,-0.2 0.911 111.7 48.7 -68.9 -42.4 67.0 22.8 13.7 113 117 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 112.1 50.4 -62.4 -41.8 64.7 20.0 12.5 114 118 A Q H X S+ 0 0 50 -4,-2.8 4,-2.8 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2,-0.9 -0.785 27.4 -98.9-117.3 161.3 71.4 -0.1 3.8 135 139 A D E > -G 396 0C 42 -2,-0.3 4,-2.8 261,-0.2 5,-0.3 -0.742 25.4-160.8 -86.8 108.6 68.6 -0.1 6.4 136 140 A L H >>S+ 0 0 0 259,-2.9 5,-2.4 -2,-0.9 4,-1.3 0.797 90.7 54.5 -56.4 -30.6 66.7 3.1 6.1 137 141 A V H 4>S+ 0 0 13 3,-0.2 5,-2.9 2,-0.2 3,-0.3 0.985 112.7 38.3 -68.4 -58.8 65.3 2.6 9.6 138 142 A K H 45S+ 0 0 132 1,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.898 124.9 40.4 -59.5 -42.4 68.7 2.2 11.4 139 143 A E H <5S- 0 0 54 -4,-2.8 -1,-0.2 3,-0.1 -2,-0.2 0.641 138.8 -7.3 -83.7 -14.7 70.4 4.9 9.3 140 144 A F T X5S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.3 -3,-0.2 0.548 121.0 56.0-144.8 -58.6 67.5 7.4 9.1 141 145 A A T 4 S+ 0 0 6 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.824 102.6 67.2 -62.4 -32.6 67.9 8.7 14.5 144 148 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.973 112.0 28.5 -54.4 -63.6 65.8 11.6 13.2 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.905 122.3 55.2 -65.1 -38.6 63.0 11.5 15.9 146 150 A S H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.936 109.0 44.0 -58.2 -53.3 65.5 10.1 18.5 147 151 A Y H X S+ 0 0 43 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.893 115.0 51.0 -61.5 -40.8 68.1 12.9 18.2 148 152 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.4 5,-0.2 0.971 114.5 39.4 -63.8 -55.8 65.5 15.6 18.2 149 153 A I H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.907 117.1 50.7 -63.4 -40.6 63.6 14.5 21.3 150 154 A Y H X>S+ 0 0 3 -4,-2.4 5,-2.3 -5,-0.3 4,-2.0 0.944 112.5 47.2 -61.2 -46.1 66.8 13.6 23.1 151 155 A T H <5S+ 0 0 53 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.916 111.5 49.9 -62.2 -43.8 68.3 17.0 22.3 152 156 A L H <5S+ 0 0 24 -4,-2.6 54,-2.6 1,-0.2 -1,-0.2 0.884 110.2 51.7 -62.3 -37.7 65.1 18.9 23.3 153 157 A L H <5S- 0 0 0 -4,-2.3 54,-1.9 52,-0.2 55,-0.3 0.863 127.3 -98.2 -67.7 -36.3 65.1 17.0 26.6 154 158 A G T <5 + 0 0 6 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.413 67.3 150.3 134.3 -0.4 68.7 18.0 27.3 155 159 A V < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.408 46.5-120.6 -65.1 130.1 70.9 15.0 26.2 156 160 A P > - 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.403 25.4-106.0 -72.5 151.7 74.4 16.2 25.1 157 161 A F G > S+ 0 0 161 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.818 113.4 57.2 -41.5 -53.6 75.5 15.3 21.5 158 162 A N G 3 S+ 0 0 147 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.658 105.4 52.6 -60.1 -18.0 78.0 12.6 22.4 159 163 A D G <> S+ 0 0 60 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.513 84.4 89.7 -96.1 -6.8 75.4 10.5 24.1 160 164 A L H <> S+ 0 0 8 -3,-1.6 4,-2.4 -4,-0.5 5,-0.2 0.918 83.3 49.6 -57.5 -52.0 72.8 10.5 21.3 161 165 A E H > S+ 0 0 145 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.915 114.4 43.5 -57.4 -47.7 73.9 7.3 19.4 162 166 A Y H > S+ 0 0 109 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.930 116.3 47.0 -64.7 -45.5 74.0 5.1 22.5 163 167 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.817 109.3 54.8 -66.8 -31.3 70.8 6.3 23.9 164 168 A T H X S+ 0 0 8 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.917 110.1 46.7 -67.7 -41.8 69.0 6.0 20.6 165 169 A Q H X S+ 0 0 106 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.898 111.6 51.0 -67.0 -41.0 70.1 2.4 20.4 166 170 A Q H X S+ 0 0 19 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.911 109.5 49.1 -63.8 -43.8 69.0 1.7 24.0 167 171 A N H X S+ 0 0 4 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.836 109.7 53.2 -64.9 -32.8 65.5 3.2 23.5 168 172 A A H >X S+ 0 0 12 -4,-1.5 4,-1.5 1,-0.2 3,-1.2 0.902 103.6 57.4 -68.3 -40.4 65.1 1.1 20.3 169 173 A I H 3< S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 96.5 62.6 -60.4 -33.8 65.9 -2.0 22.2 170 174 A R H 3< S+ 0 0 59 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.773 118.1 26.6 -67.0 -21.7 63.1 -1.4 24.7 171 175 A T H << S+ 0 0 71 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.472 89.5 121.9-116.4 -5.1 60.5 -1.7 21.9 172 176 A N >< - 0 0 71 -4,-1.5 3,-0.9 1,-0.2 8,-0.1 -0.361 61.1-138.8 -59.9 133.2 62.4 -4.0 19.4 173 177 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.753 101.8 57.8 -66.1 -23.5 60.4 -7.1 18.7 174 178 A S T 3 S+ 0 0 108 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.674 84.6 102.9 -80.5 -18.4 63.6 -9.2 18.8 175 179 A S S < S- 0 0 23 -3,-0.9 2,-0.1 -6,-0.2 -5,-0.0 -0.350 72.0-127.2 -66.5 144.9 64.4 -8.1 22.4 176 180 A T > - 0 0 73 1,-0.1 4,-2.6 -2,-0.0 5,-0.3 -0.451 29.8-104.7 -83.9 165.2 63.8 -10.5 25.2 177 181 A A H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 123.7 53.2 -56.8 -41.5 61.7 -9.2 28.1 178 182 A R H > S+ 0 0 219 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 110.6 45.0 -59.4 -48.4 64.9 -9.0 30.1 179 183 A E H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 113.0 49.3 -63.6 -46.1 66.7 -6.9 27.5 180 184 A A H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.925 114.3 46.8 -59.2 -45.2 63.7 -4.5 27.0 181 185 A S H X S+ 0 0 79 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.928 111.0 51.1 -62.1 -47.8 63.4 -4.1 30.7 182 186 A A H X S+ 0 0 61 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.911 112.0 46.7 -56.9 -46.8 67.1 -3.5 31.2 183 187 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.923 112.0 52.6 -61.7 -44.5 67.1 -0.8 28.5 184 188 A N H X S+ 0 0 41 -4,-2.4 4,-1.7 -5,-0.2 3,-0.3 0.953 111.7 43.3 -55.3 -56.5 64.0 0.7 30.0 185 189 A Q H X S+ 0 0 97 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.789 110.8 57.9 -61.9 -30.1 65.5 1.0 33.5 186 190 A E H X S+ 0 0 65 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.889 104.8 48.9 -68.4 -41.4 68.8 2.3 32.0 187 191 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 -3,-0.3 -2,-0.2 0.884 111.1 51.4 -65.0 -38.9 67.2 5.2 30.3 188 192 A L H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.904 109.1 50.2 -64.6 -40.6 65.4 6.1 33.5 189 193 A D H X S+ 0 0 90 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.895 110.6 49.9 -64.1 -41.5 68.7 5.9 35.4 190 194 A Y H X S+ 0 0 50 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.879 109.5 50.3 -65.5 -39.9 70.3 8.2 32.9 191 195 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.829 104.9 59.2 -67.8 -31.0 67.5 10.8 33.1 192 196 A A H X S+ 0 0 38 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.894 106.3 47.3 -63.4 -40.7 67.8 10.7 36.9 193 197 A I H X S+ 0 0 95 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.916 109.4 53.4 -66.3 -44.5 71.4 11.9 36.5 194 198 A L H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.887 107.9 51.0 -58.2 -41.1 70.4 14.6 34.1 195 199 A V H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.916 109.2 50.3 -64.4 -42.4 67.9 15.9 36.5 196 200 A E H X S+ 0 0 91 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.915 114.7 45.3 -61.5 -41.6 70.5 16.0 39.3 197 201 A Q H >X S+ 0 0 97 -4,-2.5 4,-3.3 1,-0.2 3,-0.5 0.920 112.1 48.5 -68.0 -47.3 72.8 17.9 37.0 198 202 A R H 3< S+ 0 0 24 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.742 105.2 60.6 -67.2 -23.4 70.3 20.4 35.6 199 203 A L H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.854 114.5 35.8 -69.8 -34.3 69.1 21.1 39.2 200 204 A V H << S+ 0 0 123 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.1 0.919 139.0 13.5 -82.3 -51.9 72.7 22.3 39.9 201 205 A E S < S- 0 0 109 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.778 80.8-155.2-129.9 87.5 73.5 23.9 36.6 202 206 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.324 12.6-172.9 -64.2 144.2 70.3 24.4 34.4 203 207 A K - 0 0 118 2,-0.1 2,-1.2 -2,-0.0 -5,-0.0 -0.475 43.6 -75.2-119.4-168.6 70.8 24.6 30.6 204 208 A D S S+ 0 0 152 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.598 91.2 97.4 -97.5 75.3 68.4 25.4 27.9 205 209 A D S > S- 0 0 10 -2,-1.2 4,-1.7 -52,-0.1 -52,-0.2 -0.918 84.2 -96.4-148.3 172.6 66.3 22.2 27.7 206 210 A I H > S+ 0 0 4 -54,-2.6 4,-2.0 -2,-0.3 5,-0.2 0.907 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