==== 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 1CMJ . 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) . 18040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 66.9 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 . 27 6.8 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 . 1 0.3 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 . 20 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 38.3 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 2 0 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 . 0 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 87 0, 0.0 29,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 116.3 32.1 -11.0 21.5 2 6 A P - 0 0 72 0, 0.0 29,-3.4 0, 0.0 2,-0.1 -0.290 360.0 -96.6 -70.8 156.3 35.3 -11.3 19.4 3 7 A S B -a 31 0A 91 27,-0.2 29,-0.2 2,-0.0 30,-0.0 -0.436 51.2-116.1 -70.8 145.1 38.8 -11.1 21.0 4 8 A F S S+ 0 0 10 27,-2.5 29,-0.4 -2,-0.1 2,-0.2 -0.998 84.2 48.3-143.1 147.2 40.5 -7.7 20.9 5 9 A P S S- 0 0 48 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.388 82.4-143.6 -60.5 155.0 42.8 -6.2 19.8 6 10 A F - 0 0 16 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.361 13.9-110.7 -86.1 171.1 42.3 -7.5 16.3 7 11 A S - 0 0 61 -2,-0.1 9,-0.5 7,-0.1 10,-0.3 -0.814 36.7 -99.2-104.8 146.9 45.1 -8.4 13.9 8 12 A R - 0 0 9 378,-2.4 3,-0.1 -2,-0.3 378,-0.1 -0.306 27.6-122.4 -62.8 148.8 45.8 -6.3 10.8 9 13 A A S S- 0 0 52 5,-1.4 2,-0.3 1,-0.2 -1,-0.1 0.827 86.8 -25.7 -61.0 -33.2 44.4 -7.8 7.5 10 14 A S S > S- 0 0 38 3,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.942 90.1 -62.9-166.0 177.2 47.9 -7.8 6.1 11 15 A G T 3 S+ 0 0 15 -2,-0.3 380,-0.4 1,-0.3 373,-0.2 0.863 131.9 21.7 -37.5 -64.0 51.2 -6.0 6.5 12 16 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 378,-0.1 0.302 110.7 92.1 -92.6 8.5 50.1 -2.5 5.5 13 17 A E S < S- 0 0 94 -3,-1.4 -3,-0.5 1,-0.1 3,-0.1 -0.723 71.3-121.9-108.2 154.2 46.4 -2.9 6.2 14 18 A P - 0 0 20 0, 0.0 -5,-1.4 0, 0.0 -7,-0.1 -0.382 55.1 -67.3 -82.9 166.9 44.2 -2.3 9.2 15 19 A P > - 0 0 11 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.288 42.1-136.1 -53.0 137.8 42.2 -5.0 10.9 16 20 A A T 3> S+ 0 0 47 -9,-0.5 4,-1.0 1,-0.2 3,-0.4 0.755 94.5 75.5 -69.0 -24.2 39.4 -6.2 8.5 17 21 A E H 3> S+ 0 0 71 -10,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.854 83.1 65.6 -56.2 -39.8 36.9 -6.2 11.3 18 22 A F H <> S+ 0 0 7 -3,-0.7 4,-3.0 1,-0.2 5,-0.2 0.892 96.6 51.5 -54.0 -50.1 36.5 -2.4 11.5 19 23 A A H > S+ 0 0 45 -4,-0.4 4,-1.6 -3,-0.4 -1,-0.2 0.921 112.9 46.8 -55.2 -45.4 34.9 -1.8 8.1 20 24 A K H X S+ 0 0 145 -4,-1.0 4,-2.0 1,-0.2 5,-0.3 0.874 113.7 47.8 -65.0 -38.5 32.3 -4.5 8.8 21 25 A L H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.910 106.9 56.3 -69.7 -41.9 31.5 -3.1 12.2 22 26 A R H < S+ 0 0 14 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.1 41.7 -57.3 -36.4 31.3 0.5 10.9 23 27 A A H < S+ 0 0 73 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.835 134.9 10.3 -82.5 -33.9 28.6 -0.7 8.5 24 28 A T H < S+ 0 0 120 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.561 136.8 21.3-124.9 -11.7 26.5 -3.0 10.7 25 29 A N < + 0 0 59 -4,-2.7 -2,-0.1 -5,-0.3 -3,-0.1 -0.391 58.7 169.1-159.1 69.2 27.6 -2.7 14.3 26 30 A P S S+ 0 0 41 0, 0.0 16,-1.8 0, 0.0 2,-0.5 0.759 78.5 37.2 -56.2 -33.5 29.3 0.7 15.0 27 31 A V E S+ B 0 41A 2 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.938 83.2 145.1-126.2 107.2 29.3 0.3 18.8 28 32 A S E - B 0 40A 6 12,-1.8 12,-3.9 -2,-0.5 2,-0.3 -0.895 46.7-101.4-139.0 167.5 29.8 -3.3 20.0 29 33 A Q E - B 0 39A 68 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.712 32.4-171.5 -94.6 141.6 31.4 -5.3 22.7 30 34 A V E - B 0 38A 1 8,-2.9 8,-1.6 -2,-0.3 2,-0.5 -0.876 23.5-115.4-126.1 160.3 34.7 -7.0 22.4 31 35 A K E -aB 3 37A 83 -29,-3.4 -27,-2.5 -2,-0.3 6,-0.2 -0.857 25.3-149.2-103.0 127.5 36.5 -9.4 24.7 32 36 A L > - 0 0 6 4,-3.0 3,-2.8 -2,-0.5 36,-0.1 -0.446 35.0 -94.6 -89.2 165.6 39.8 -8.5 26.3 33 37 A F T 3 S+ 0 0 96 -29,-0.4 35,-0.1 1,-0.3 -1,-0.1 0.777 125.3 51.8 -48.4 -34.9 42.7 -10.8 27.2 34 38 A D T 3 S- 0 0 65 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.285 121.3-106.1 -89.3 11.2 41.4 -11.2 30.8 35 39 A G S < S+ 0 0 28 -3,-2.8 -2,-0.1 1,-0.3 -1,-0.0 0.375 78.6 133.6 82.9 -6.2 38.0 -12.1 29.6 36 40 A S - 0 0 48 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.327 52.1-124.1 -72.8 160.9 36.5 -8.7 30.6 37 41 A L E +B 31 0A 83 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.686 27.9 177.1-106.2 161.0 34.3 -6.9 28.1 38 42 A A E -Bc 30 306A 2 -8,-1.6 -8,-2.9 -2,-0.2 2,-0.5 -0.973 32.5-107.1-156.9 154.4 34.7 -3.5 26.6 39 43 A W E -Bc 29 307A 21 267,-2.9 269,-3.2 -2,-0.3 2,-0.6 -0.758 26.7-151.6 -90.6 130.3 32.8 -1.4 24.1 40 44 A L E -Bc 28 308A 0 -12,-3.9 -12,-1.8 -2,-0.5 2,-0.5 -0.910 7.3-161.5-104.9 120.3 34.5 -0.8 20.8 41 45 A V E +Bc 27 309A 0 267,-2.8 269,-2.5 -2,-0.6 -14,-0.2 -0.894 17.6 166.3-104.0 126.5 33.7 2.4 19.0 42 46 A T + 0 0 0 -16,-1.8 2,-0.3 -2,-0.5 -1,-0.1 0.624 43.2 89.4-116.5 -20.3 34.4 2.5 15.2 43 47 A K S > S- 0 0 13 -17,-0.4 4,-2.3 1,-0.1 3,-0.4 -0.649 74.8-126.0 -86.6 141.1 32.7 5.5 13.6 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.7 270,-0.3 5,-0.2 0.908 108.9 51.5 -46.7 -55.7 34.4 8.9 13.5 45 49 A K H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 113.2 45.7 -52.8 -42.0 31.6 10.8 15.2 46 50 A D H > S+ 0 0 19 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.829 109.7 53.4 -73.8 -32.8 31.5 8.3 18.0 47 51 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.933 109.3 49.3 -68.0 -43.0 35.3 8.3 18.4 48 52 A C H X S+ 0 0 21 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.928 110.5 52.4 -59.3 -43.1 35.3 12.1 18.7 49 53 A F H >X S+ 0 0 81 -4,-1.8 4,-2.1 -5,-0.2 3,-0.8 0.947 110.6 45.7 -58.0 -50.5 32.5 11.7 21.3 50 54 A V H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.913 109.3 57.0 -60.1 -41.4 34.5 9.3 23.4 51 55 A A H 3< S+ 0 0 6 -4,-2.7 295,-0.4 1,-0.2 294,-0.3 0.739 119.6 28.6 -62.7 -24.3 37.6 11.4 23.1 52 56 A T H << S+ 0 0 70 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.583 83.4 120.3-115.5 -12.8 35.8 14.5 24.6 53 57 A S >< - 0 0 12 -4,-2.1 3,-1.2 -5,-0.2 -4,-0.0 -0.334 48.1-155.4 -59.6 126.1 33.1 13.2 27.0 54 58 A E T 3 S+ 0 0 159 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.599 91.1 70.8 -76.9 -9.7 33.6 14.4 30.5 55 59 A K T 3 S+ 0 0 86 236,-0.1 236,-3.0 235,-0.0 237,-0.8 0.432 91.5 76.0 -83.6 -0.8 31.6 11.4 31.7 56 60 A L E < -D 290 0A 7 -3,-1.2 2,-0.3 234,-0.2 234,-0.2 -0.841 68.0-153.6-113.4 150.5 34.5 9.2 30.7 57 61 A S E -D 289 0A 0 232,-2.7 232,-1.5 -2,-0.3 29,-0.1 -0.921 22.2-161.1-128.4 151.2 37.8 8.8 32.5 58 62 A K + 0 0 16 -2,-0.3 2,-0.3 230,-0.2 -1,-0.1 0.430 55.3 123.4-102.3 -5.9 41.4 7.8 31.7 59 63 A V > - 0 0 41 1,-0.2 3,-1.1 230,-0.1 26,-0.1 -0.433 50.3-156.5 -62.6 120.1 42.4 6.9 35.2 60 64 A R T 3 S+ 0 0 55 24,-0.3 5,-0.2 -2,-0.3 -1,-0.2 0.579 85.9 68.7 -77.1 -10.5 43.6 3.3 35.1 61 65 A T T 3 S+ 0 0 119 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 0.427 78.5 103.5 -86.2 1.2 42.9 2.5 38.8 62 66 A R S X S- 0 0 93 -3,-1.1 3,-1.8 1,-0.1 2,-0.1 -0.715 84.7-112.5 -84.7 128.6 39.2 2.7 37.9 63 67 A Q T 3 S+ 0 0 169 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.411 102.1 36.3 -63.4 130.6 37.6 -0.7 37.6 64 68 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.2 -2,-0.1 224,-0.1 0.267 74.2 148.8 110.5 -10.0 36.7 -1.4 34.0 65 69 A F < - 0 0 21 -3,-1.8 2,-2.0 -5,-0.2 -1,-0.3 -0.395 55.2-117.6 -61.4 129.7 39.6 0.3 32.4 66 70 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.417 37.7 179.0 -70.7 73.5 40.3 -1.6 29.1 67 71 A E - 0 0 12 -2,-2.0 -33,-0.3 1,-0.1 -34,-0.2 -0.661 13.3-160.8 -76.6 128.2 43.8 -2.9 29.6 68 72 A L + 0 0 25 -2,-0.4 2,-0.3 216,-0.1 -35,-0.2 0.459 64.4 25.8 -90.7 -3.8 44.7 -4.9 26.5 69 73 A S S > S- 0 0 51 1,-0.1 4,-1.6 -37,-0.1 -35,-0.0 -0.979 79.5-106.1-154.4 164.9 47.5 -6.9 27.9 70 74 A A H > S+ 0 0 56 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 0.911 120.0 48.9 -60.2 -45.6 49.0 -8.5 31.0 71 75 A S H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.826 105.4 60.9 -64.5 -31.1 51.9 -5.9 31.2 72 76 A G H > S+ 0 0 11 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.914 103.9 47.9 -61.9 -43.3 49.3 -3.2 30.7 73 77 A K H < S+ 0 0 72 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.893 113.4 48.3 -64.7 -39.4 47.5 -4.1 33.9 74 78 A Q H >< S+ 0 0 118 -4,-1.6 3,-1.5 1,-0.2 4,-0.2 0.884 106.9 54.9 -68.7 -40.2 50.8 -4.3 35.8 75 79 A A H >< S+ 0 0 59 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.723 92.5 73.5 -66.1 -21.9 52.0 -0.9 34.5 76 80 A A T 3< S+ 0 0 13 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.563 83.4 71.3 -69.1 -7.8 48.8 0.7 35.8 77 81 A K T < S+ 0 0 139 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.2 0.748 78.7 91.9 -80.8 -26.3 50.1 0.3 39.3 78 82 A A S < S- 0 0 66 -3,-1.1 -3,-0.0 -4,-0.2 0, 0.0 -0.203 97.0 -83.4 -68.1 159.6 52.8 3.1 39.0 79 83 A K - 0 0 142 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.454 60.7-118.0 -60.1 130.3 52.2 6.7 40.0 80 84 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.381 20.2-149.9 -79.3 153.7 50.5 8.1 36.9 81 85 A T > - 0 0 19 -2,-0.1 3,-2.3 146,-0.1 4,-0.1 -0.594 48.4 -80.0-106.2 174.2 51.8 10.9 34.6 82 86 A F G > S+ 0 0 10 1,-0.3 3,-1.4 -2,-0.2 12,-0.1 0.674 122.2 74.1 -52.3 -20.2 49.4 13.3 32.7 83 87 A V G 3 S+ 0 0 48 1,-0.3 -1,-0.3 11,-0.0 7,-0.0 0.821 106.2 35.7 -64.0 -28.6 48.8 10.6 30.0 84 88 A D G < S+ 0 0 28 -3,-2.3 -24,-0.3 2,-0.1 2,-0.3 0.052 101.5 104.4-111.1 23.1 46.6 8.7 32.5 85 89 A M < - 0 0 29 -3,-1.4 -4,-0.0 -26,-0.1 -3,-0.0 -0.719 54.2-148.9-107.9 158.5 45.0 11.7 34.2 86 90 A D > - 0 0 14 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.676 50.5 -36.8-112.1 167.1 41.6 13.4 34.1 87 91 A P T 4 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 258,-0.0 -0.375 120.3 17.7 -66.1 150.2 41.0 17.1 34.7 88 92 A P T > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.988 128.5 47.7 -88.5 -11.0 42.2 19.1 36.5 89 93 A E H > S+ 0 0 108 -3,-0.4 4,-1.9 1,-0.2 5,-0.3 0.891 106.5 62.9 -52.0 -44.2 45.3 17.0 37.2 90 94 A H H >X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.947 110.0 32.8 -47.7 -67.9 45.8 16.3 33.5 91 95 A M H 3> S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.817 110.4 67.0 -64.8 -28.9 46.4 19.9 32.3 92 96 A H H 3< S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.5 27.5 -59.3 -39.2 48.1 20.8 35.5 93 97 A Q H X< S+ 0 0 18 -4,-1.9 3,-1.4 -3,-0.6 4,-0.5 0.874 119.5 54.1 -89.2 -41.7 51.0 18.5 34.7 94 98 A R H >X S+ 0 0 23 -4,-2.8 3,-1.7 -5,-0.3 4,-1.0 0.887 102.0 60.2 -59.2 -39.5 50.8 18.4 30.9 95 99 A S T 3< S+ 0 0 61 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.687 90.4 72.1 -63.3 -16.7 51.0 22.2 30.8 96 100 A M T <4 S+ 0 0 13 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.799 113.8 23.1 -68.2 -28.3 54.4 21.9 32.5 97 101 A V T X4 S+ 0 0 5 -3,-1.7 3,-0.7 -4,-0.5 4,-0.3 0.403 96.3 96.3-118.5 0.5 55.9 20.6 29.3 98 102 A E G >X + 0 0 47 -4,-1.0 3,-2.9 1,-0.2 4,-0.7 0.896 66.1 77.3 -57.9 -45.4 53.5 22.0 26.7 99 103 A P G >4 S+ 0 0 74 0, 0.0 3,-0.8 0, 0.0 6,-0.2 0.769 91.1 52.7 -34.0 -48.1 55.7 25.1 25.8 100 104 A T G <4 S+ 0 0 25 -3,-0.7 -2,-0.1 1,-0.2 -3,-0.0 0.712 111.4 48.2 -68.0 -18.2 58.2 23.2 23.7 101 105 A F G <4 S+ 0 0 3 -3,-2.9 251,-0.3 -4,-0.3 252,-0.3 0.460 76.7 120.9-104.8 -3.0 55.5 21.6 21.6 102 106 A T S S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.913 121.1 51.4 -55.0 -39.0 52.8 25.2 16.9 104 108 A E H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.914 110.1 46.7 -63.6 -46.2 54.9 28.4 17.3 105 109 A A H > S+ 0 0 23 -6,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.880 113.5 49.4 -64.5 -38.8 57.7 26.6 19.1 106 110 A V H X S+ 0 0 7 -4,-2.5 4,-0.6 2,-0.2 3,-0.5 0.894 107.5 54.3 -67.5 -39.9 57.7 23.9 16.5 107 111 A K H >< S+ 0 0 146 -4,-2.4 3,-0.8 -5,-0.3 -1,-0.2 0.889 109.7 48.5 -59.8 -37.9 57.8 26.4 13.7 108 112 A N H 3< S+ 0 0 111 -4,-1.8 -1,-0.3 1,-0.2 4,-0.3 0.691 106.7 56.7 -75.6 -19.2 60.9 27.9 15.4 109 113 A L H >X S+ 0 0 34 -4,-0.9 4,-2.6 -3,-0.5 3,-0.5 0.531 79.2 98.5 -87.6 -7.5 62.4 24.4 15.6 110 114 A Q H S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.885 113.1 48.4 -59.9 -35.6 65.8 24.8 11.0 112 116 A Y H <> S+ 0 0 45 -3,-0.5 4,-2.6 -4,-0.3 -2,-0.2 0.921 112.3 48.3 -68.5 -44.4 67.0 22.5 13.8 113 117 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.947 113.5 47.4 -59.9 -48.6 64.7 19.7 12.5 114 118 A Q H X S+ 0 0 49 -4,-3.2 4,-3.2 1,-0.2 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0.783 109.6 53.8 -53.4 -28.3 73.4 7.6 5.3 125 129 A K H >< S+ 0 0 105 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.923 109.7 43.8 -72.7 -46.2 74.7 8.7 1.9 126 130 A Q H 3< S+ 0 0 123 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.691 91.5 84.5 -71.2 -18.2 78.3 8.3 2.9 127 131 A K T 3< S- 0 0 97 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.400 102.5-136.4 -63.8 8.4 77.2 5.0 4.4 128 132 A G < - 0 0 19 -3,-0.8 -1,-0.2 -5,-0.2 6,-0.1 0.099 24.2-141.6 62.2-176.5 77.8 4.1 0.8 129 133 A C S > S+ 0 0 38 -3,-0.1 3,-0.9 4,-0.1 -1,-0.1 0.205 85.6 84.9-159.5 -8.8 75.6 1.9 -1.4 130 134 A A T 3 S+ 0 0 106 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.631 86.5 60.5 -76.4 -15.9 78.4 0.1 -3.3 131 135 A N T 3 S- 0 0 120 1,-0.4 -1,-0.3 -4,-0.2 -3,-0.0 -0.102 125.6 -88.7-101.1 31.2 78.4 -2.4 -0.4 132 136 A G S < S- 0 0 30 -3,-0.9 -1,-0.4 2,-0.0 2,-0.1 -0.318 70.1 -27.7 92.1-177.0 74.8 -3.3 -1.1 133 137 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 265,-0.2 -0.346 58.1-138.8 -72.6 154.8 71.5 -1.8 0.2 134 138 A V E -F 397 0B 7 263,-2.2 263,-2.9 261,-0.1 2,-0.8 -0.801 21.2-106.3-113.8 156.8 71.2 -0.0 3.5 135 139 A D E > -F 396 0B 43 -2,-0.3 4,-2.7 261,-0.2 5,-0.3 -0.740 22.7-160.0 -86.4 109.1 68.4 -0.2 6.2 136 140 A L H >>S+ 0 0 0 259,-2.8 5,-2.5 -2,-0.8 4,-1.7 0.802 89.1 54.1 -57.1 -32.0 66.5 3.0 6.0 137 141 A V H 4>S+ 0 0 13 3,-0.2 5,-3.2 4,-0.2 -1,-0.2 0.979 113.5 37.9 -69.0 -55.6 65.1 2.4 9.5 138 142 A K H 45S+ 0 0 131 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.913 125.7 40.1 -61.8 -42.5 68.5 2.0 11.3 139 143 A E H <5S- 0 0 34 -4,-2.7 -15,-0.2 3,-0.1 -1,-0.2 0.682 139.7 -8.6 -82.8 -18.3 70.2 4.7 9.2 140 144 A F T X5S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -3,-0.2 0.548 121.9 56.4-142.6 -59.9 67.4 7.2 9.1 141 145 A A T 4 S+ 0 0 7 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.823 102.4 69.2 -66.2 -31.8 67.7 8.3 14.6 144 148 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.972 111.5 28.4 -52.2 -64.9 65.6 11.2 13.2 145 149 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.894 122.2 55.1 -65.1 -36.2 62.9 11.2 15.9 146 150 A S H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.954 108.9 44.4 -60.4 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74.2 15.7 25.1 157 161 A F G > S+ 0 0 162 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.822 113.0 58.1 -45.6 -47.3 75.2 15.0 21.5 158 162 A N G 3 S+ 0 0 151 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.684 105.2 51.8 -63.5 -19.0 77.8 12.3 22.2 159 163 A D G <> S+ 0 0 57 -3,-1.8 4,-2.3 1,-0.1 -1,-0.3 0.482 84.8 90.3 -96.1 -4.8 75.2 10.2 24.0 160 164 A L H <> S+ 0 0 4 -3,-1.4 4,-2.6 -4,-0.5 5,-0.2 0.934 83.5 49.1 -57.8 -53.9 72.6 10.2 21.2 161 165 A E H > S+ 0 0 143 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.906 115.3 43.7 -56.0 -46.4 73.7 7.1 19.2 162 166 A Y H > S+ 0 0 107 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.944 116.4 45.7 -65.8 -47.9 73.9 4.9 22.3 163 167 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.825 108.8 56.3 -65.8 -31.3 70.7 6.1 23.8 164 168 A T H X S+ 0 0 6 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.928 110.1 46.5 -64.9 -42.9 68.9 5.8 20.5 165 169 A Q H X S+ 0 0 104 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.922 112.5 49.4 -63.6 -46.6 69.9 2.2 20.3 166 170 A Q H X S+ 0 0 17 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.891 110.3 49.1 -62.2 -43.4 68.9 1.5 23.9 167 171 A N H X S+ 0 0 4 -4,-2.4 4,-0.6 1,-0.2 3,-0.3 0.831 108.8 55.2 -66.0 -31.4 65.4 3.1 23.5 168 172 A A H >X S+ 0 0 10 -4,-1.5 4,-1.2 1,-0.2 3,-1.0 0.857 99.7 59.6 -68.3 -35.9 65.0 1.0 20.3 169 173 A I H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.794 92.9 69.6 -62.7 -27.0 65.7 -2.2 22.3 170 174 A R H 3< S+ 0 0 57 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.861 117.3 18.7 -58.9 -37.2 62.7 -1.3 24.5 171 175 A T H << S+ 0 0 77 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.375 90.4 126.8-118.5 3.1 60.3 -2.0 21.6 172 176 A N < - 0 0 72 -4,-1.2 3,-0.5 1,-0.1 8,-0.1 -0.350 58.6-136.9 -62.3 141.1 62.4 -4.1 19.2 173 177 A G S S+ 0 0 77 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.0 0.861 104.1 55.8 -67.5 -33.3 60.6 -7.4 18.3 174 178 A S S S+ 0 0 107 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.702 86.3 102.6 -71.2 -22.2 63.9 -9.2 18.7 175 179 A S - 0 0 23 -3,-0.5 2,-0.1 -6,-0.1 -5,-0.0 -0.350 68.8-132.7 -66.3 140.9 64.4 -8.0 22.3 176 180 A T > - 0 0 70 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.435 28.7-105.2 -84.9 167.0 63.7 -10.4 25.1 177 181 A A H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 123.1 51.5 -58.5 -42.4 61.6 -9.2 28.1 178 182 A R H > S+ 0 0 219 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 111.7 44.9 -59.7 -51.9 64.8 -9.0 30.2 179 183 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 114.1 50.3 -59.2 -43.3 66.6 -6.9 27.6 180 184 A A H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.911 112.7 45.8 -62.3 -44.8 63.6 -4.7 27.1 181 185 A S H X S+ 0 0 78 -4,-2.8 4,-3.1 -5,-0.2 5,-0.2 0.909 112.5 51.4 -64.5 -43.9 63.2 -4.1 30.9 182 186 A A H X S+ 0 0 58 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.908 111.2 46.4 -60.7 -45.4 66.9 -3.5 31.3 183 187 A A H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.932 112.9 52.4 -63.0 -43.7 67.0 -0.9 28.5 184 188 A N H X S+ 0 0 45 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.950 113.4 40.9 -56.4 -53.4 63.9 0.6 30.1 185 189 A Q H X S+ 0 0 95 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.830 112.1 57.3 -65.7 -32.5 65.4 0.9 33.6 186 190 A E H X S+ 0 0 60 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.910 107.1 47.6 -63.9 -43.4 68.7 2.0 32.1 187 191 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.902 112.3 50.2 -64.5 -41.3 67.0 5.0 30.3 188 192 A L H X S+ 0 0 19 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.897 110.7 48.7 -64.9 -40.3 65.2 5.8 33.6 189 193 A D H X S+ 0 0 89 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.887 111.4 50.7 -66.3 -38.8 68.5 5.7 35.6 190 194 A Y H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.876 109.8 49.0 -66.0 -40.1 70.2 7.9 33.0 191 195 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.837 105.9 58.1 -69.1 -32.6 67.4 10.5 33.1 192 196 A A H X S+ 0 0 33 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.857 106.8 48.8 -64.0 -35.7 67.6 10.5 36.9 193 197 A I H X S+ 0 0 91 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.934 109.7 50.7 -68.6 -47.9 71.2 11.5 36.5 194 198 A L H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.881 108.8 52.7 -57.5 -39.6 70.3 14.3 34.0 195 199 A V H X S+ 0 0 1 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.893 109.8 47.7 -64.9 -38.6 67.7 15.5 36.5 196 200 A E H X S+ 0 0 86 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.933 115.4 46.3 -66.3 -44.3 70.3 15.7 39.3 197 201 A Q H X S+ 0 0 100 -4,-2.7 4,-2.9 1,-0.2 3,-0.2 0.893 112.7 47.8 -64.0 -44.9 72.7 17.5 37.0 198 202 A R H < S+ 0 0 25 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.722 104.4 61.0 -71.7 -22.4 70.2 20.0 35.6 199 203 A L H < S+ 0 0 26 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.864 114.3 36.0 -70.6 -34.8 69.0 20.8 39.1 200 204 A V H < S+ 0 0 125 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.1 0.892 139.8 13.1 -82.7 -44.6 72.5 22.0 39.9 201 205 A E S < S- 0 0 137 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 -0.706 80.7-157.8-136.7 84.0 73.3 23.5 36.5 202 206 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.255 9.8-171.4 -62.9 147.4 70.2 23.9 34.2 203 207 A K - 0 0 109 2,-0.1 2,-1.5 0, 0.0 5,-0.0 -0.554 44.5 -72.4-122.7-172.3 70.7 24.1 30.5 204 208 A D S S+ 0 0 126 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.625 92.7 97.2 -89.6 80.2 68.3 25.0 27.6 205 209 A D S > S- 0 0 4 -2,-1.5 4,-1.8 -52,-0.1 -52,-0.2 -0.957 84.3 -97.8-155.2 170.4 66.2 21.8 27.6 206 210 A I H > S+ 0 0 4 -54,-2.5 4,-2.3 -2,-0.3 5,-0.2 0.910 118.8 53.6 -61.4 -45.4 62.9 20.2 28.8 207 211 A I 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