==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-04 1XQD . COMPND 2 MOLECULE: CYTOCHROME P450 55A1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR R.OSHIMA,S.FUSHINOBU,N.TAKAYA,F.SU,T.WAKAGI,H.SHOUN . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.3 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 . 7 1.8 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 2 0 2 2 0 2 1 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 71 0, 0.0 29,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 126.8 12.8 46.5 6.1 2 6 A P - 0 0 71 0, 0.0 29,-2.4 0, 0.0 2,-0.0 -0.489 360.0 -95.4 -79.3 148.3 10.0 43.9 6.4 3 7 A S B -a 31 0A 90 27,-0.2 29,-0.2 -2,-0.2 30,-0.0 -0.351 54.8-120.3 -61.8 137.3 8.2 43.1 9.7 4 8 A F S S+ 0 0 5 27,-2.3 29,-0.4 2,-0.1 2,-0.2 -0.979 82.5 50.4-139.2 150.2 9.8 40.2 11.6 5 9 A P S S- 0 0 40 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.445 82.3-141.8 -63.5 154.7 9.3 37.5 12.7 6 10 A F - 0 0 16 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.449 15.2-112.1 -83.8 161.6 7.7 36.3 9.5 7 11 A S - 0 0 59 -2,-0.1 9,-0.5 1,-0.1 10,-0.3 -0.740 36.6 -98.8 -96.0 145.9 4.7 34.0 9.5 8 12 A R - 0 0 8 378,-2.9 -1,-0.1 -2,-0.3 3,-0.1 -0.324 28.4-124.6 -60.6 144.8 5.0 30.4 8.2 9 13 A A S S- 0 0 51 5,-1.6 2,-0.3 1,-0.1 -1,-0.1 0.855 86.1 -18.3 -60.0 -36.5 3.7 30.0 4.7 10 14 A S S > S- 0 0 40 3,-0.4 3,-0.9 4,-0.2 -1,-0.1 -0.926 92.7 -66.5-157.9 175.9 1.3 27.2 5.8 11 15 A G T 3 S+ 0 0 17 -2,-0.3 380,-0.3 1,-0.2 373,-0.2 0.842 129.8 20.5 -37.4 -61.5 0.8 24.9 8.8 12 16 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 378,-0.1 0.451 109.2 92.3 -93.7 -1.1 4.0 22.7 8.3 13 17 A E S < S- 0 0 96 -3,-0.9 -3,-0.4 1,-0.1 3,-0.1 -0.579 71.4-120.4 -97.8 156.9 6.1 25.1 6.2 14 18 A P - 0 0 19 0, 0.0 -5,-1.6 0, 0.0 -4,-0.2 -0.311 56.4 -64.3 -81.8 174.1 8.7 27.7 7.1 15 19 A P > - 0 0 11 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.324 41.0-134.9 -58.6 140.2 8.2 31.4 6.2 16 20 A A T >> S+ 0 0 56 -9,-0.5 4,-0.7 1,-0.2 3,-0.6 0.743 96.7 73.2 -69.5 -22.0 8.2 31.8 2.4 17 21 A E H 3> S+ 0 0 66 -10,-0.3 4,-2.0 1,-0.2 3,-0.4 0.844 80.9 68.7 -61.3 -38.9 10.5 34.8 2.8 18 22 A F H <> S+ 0 0 5 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.830 93.1 57.2 -51.9 -40.8 13.7 32.8 3.6 19 23 A A H <> S+ 0 0 50 -3,-0.6 4,-1.7 -4,-0.4 -1,-0.2 0.927 109.2 44.4 -59.8 -47.2 14.1 31.3 0.2 20 24 A K H X S+ 0 0 143 -4,-0.7 4,-2.2 -3,-0.4 5,-0.4 0.919 114.0 50.9 -63.7 -44.6 14.2 34.7 -1.6 21 25 A L H X S+ 0 0 26 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.916 107.5 51.5 -60.5 -46.5 16.6 36.1 1.0 22 26 A R H < S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.8 44.6 -57.7 -42.7 19.1 33.2 0.8 23 27 A A H < S+ 0 0 72 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.826 136.5 4.0 -73.1 -34.2 19.2 33.6 -3.0 24 28 A T H < S+ 0 0 118 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.521 137.4 25.3-133.1 -5.7 19.5 37.4 -3.2 25 29 A N < + 0 0 61 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 -0.291 60.7 164.9-159.5 61.8 19.8 39.1 0.2 26 30 A P S S+ 0 0 38 0, 0.0 16,-1.8 0, 0.0 2,-0.5 0.740 74.8 38.2 -53.0 -36.7 21.3 36.5 2.7 27 31 A V E S+ B 0 41A 0 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.927 84.8 145.9-124.1 104.7 22.1 39.1 5.4 28 32 A S E - B 0 40A 8 12,-1.9 12,-3.9 -2,-0.5 2,-0.3 -0.880 46.6-100.7-137.4 167.7 19.5 41.8 5.7 29 33 A Q E - B 0 39A 64 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.671 32.3-170.6 -91.6 142.9 17.7 44.1 8.1 30 34 A V E - B 0 38A 0 8,-2.9 8,-2.2 -2,-0.3 2,-0.6 -0.919 24.7-115.4-128.6 156.2 14.2 43.4 9.4 31 35 A K E -aB 3 37A 102 -29,-2.4 -27,-2.3 -2,-0.3 6,-0.2 -0.825 28.9-151.5 -97.1 120.1 11.8 45.6 11.4 32 36 A L > - 0 0 4 4,-3.2 3,-2.5 -2,-0.6 36,-0.1 -0.397 34.5 -94.1 -85.6 166.6 11.0 44.4 14.9 33 37 A F T 3 S+ 0 0 91 -29,-0.4 35,-0.1 35,-0.3 -1,-0.1 0.725 124.3 52.5 -50.6 -29.2 7.8 45.1 16.7 34 38 A D T 3 S- 0 0 78 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.267 121.8-102.4 -94.3 11.3 9.2 48.1 18.5 35 39 A G S < S+ 0 0 50 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.360 80.2 133.2 87.0 -7.3 10.4 49.7 15.3 36 40 A S - 0 0 48 -5,-0.1 -4,-3.2 1,-0.0 2,-0.5 -0.368 53.1-127.6 -75.2 158.1 14.0 48.7 15.8 37 41 A L E +B 31 0A 83 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.926 29.0 176.3-111.4 130.1 16.0 47.2 13.0 38 42 A A E -B 30 0A 2 -8,-2.2 -8,-2.9 -2,-0.5 2,-0.4 -0.870 32.0-104.6-127.4 161.7 17.9 43.9 13.4 39 43 A W E -Bc 29 307A 21 267,-3.1 269,-3.1 -2,-0.3 2,-0.5 -0.752 24.9-154.6 -92.9 131.0 19.9 41.7 11.1 40 44 A L E -Bc 28 308A 0 -12,-3.9 -12,-1.9 -2,-0.4 2,-0.5 -0.911 6.4-162.0-105.7 123.3 18.5 38.5 9.7 41 45 A V E +Bc 27 309A 0 267,-2.6 269,-2.5 -2,-0.5 -14,-0.2 -0.913 17.0 166.8-107.3 127.1 21.0 35.8 8.7 42 46 A T + 0 0 0 -16,-1.8 2,-0.3 -2,-0.5 -20,-0.1 0.602 42.5 89.6-118.4 -16.3 19.6 33.0 6.5 43 47 A K S > S- 0 0 5 -17,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.666 73.3-127.0 -89.7 142.7 22.5 31.0 5.0 44 48 A H H > S+ 0 0 9 -2,-0.3 4,-2.4 270,-0.3 5,-0.2 0.903 109.5 50.0 -50.3 -49.6 23.9 28.0 6.7 45 49 A K H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 113.3 46.7 -59.4 -40.1 27.5 29.2 6.7 46 50 A D H > S+ 0 0 16 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.862 109.8 52.1 -71.4 -37.3 26.5 32.6 8.1 47 51 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.926 110.3 50.1 -64.7 -42.8 24.3 31.1 10.8 48 52 A C H X S+ 0 0 17 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.899 110.1 50.6 -60.9 -40.1 27.3 28.9 11.8 49 53 A F H >X S+ 0 0 82 -4,-1.8 4,-2.2 -5,-0.2 3,-0.7 0.927 110.0 49.4 -63.5 -44.8 29.5 32.0 11.9 50 54 A V H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 110.0 51.8 -60.0 -42.3 27.0 33.9 14.1 51 55 A A H 3< S+ 0 0 10 -4,-2.4 294,-0.4 1,-0.2 295,-0.4 0.684 120.6 33.2 -69.6 -18.7 26.9 31.0 16.5 52 56 A T H << S+ 0 0 75 -4,-1.0 -2,-0.2 -3,-0.7 2,-0.2 0.593 83.4 117.5-115.3 -12.9 30.6 30.8 16.8 53 57 A S >< - 0 0 19 -4,-2.2 3,-1.4 1,-0.2 -4,-0.0 -0.386 51.5-152.5 -64.3 126.5 31.9 34.4 16.5 54 58 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.568 93.1 69.7 -72.7 -8.3 33.7 35.7 19.7 55 59 A K T 3 S+ 0 0 83 236,-0.1 236,-3.3 2,-0.0 237,-0.8 0.452 88.9 75.1 -88.3 -2.6 32.6 39.2 18.6 56 60 A L E < S-D 290 0A 10 -3,-1.4 2,-0.3 234,-0.2 234,-0.2 -0.853 70.1-142.5-113.3 150.1 28.9 38.5 19.3 57 61 A S E -D 289 0A 0 232,-3.2 232,-1.3 -2,-0.3 29,-0.1 -0.855 15.3-160.7-116.3 148.2 27.2 38.3 22.7 58 62 A K + 0 0 24 -2,-0.3 2,-0.1 230,-0.2 27,-0.1 0.541 52.5 126.6 -96.3 -13.7 24.4 36.1 24.1 59 63 A V > - 0 0 44 1,-0.2 3,-1.0 230,-0.1 26,-0.1 -0.270 49.6-154.9 -53.1 116.7 23.6 38.5 27.0 60 64 A R T 3 S+ 0 0 71 1,-0.2 -1,-0.2 24,-0.2 5,-0.1 0.791 90.1 45.0 -67.6 -32.3 19.9 39.1 26.7 61 65 A T T 3 S+ 0 0 106 23,-0.2 -1,-0.2 15,-0.1 3,-0.1 0.367 85.1 123.8 -93.3 4.9 19.8 42.5 28.4 62 66 A R S X S- 0 0 80 -3,-1.0 3,-2.1 1,-0.1 -5,-0.0 -0.355 80.5 -84.2 -64.1 145.0 22.8 43.7 26.5 63 67 A Q T 3 S+ 0 0 136 1,-0.3 -1,-0.1 226,-0.0 -2,-0.1 -0.249 115.6 19.0 -52.2 130.4 22.1 46.9 24.6 64 68 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.1 224,-0.1 0.400 78.4 160.7 90.2 -2.9 20.5 46.1 21.2 65 69 A F < - 0 0 24 -3,-2.1 2,-1.7 1,-0.1 -1,-0.3 -0.302 44.5-121.8 -56.2 130.5 19.3 42.6 22.0 66 70 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.472 32.6-176.6 -77.8 75.4 16.6 41.8 19.4 67 71 A E - 0 0 9 -2,-1.7 -33,-0.3 1,-0.1 -34,-0.2 -0.501 15.0-153.7 -69.1 141.8 13.4 41.0 21.5 68 72 A L + 0 0 35 -2,-0.1 -35,-0.3 -36,-0.1 2,-0.3 0.583 69.8 19.4 -94.9 -12.5 10.7 39.9 19.1 69 73 A G S >> S- 0 0 28 1,-0.1 3,-0.9 -37,-0.1 4,-0.7 -0.959 82.3-102.3-150.4 166.4 7.7 40.9 21.2 70 74 A A H >> S+ 0 0 68 -2,-0.3 4,-0.7 1,-0.3 3,-0.6 0.859 119.1 60.7 -60.1 -34.6 6.7 43.1 24.1 71 75 A G H >> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.808 90.5 68.8 -63.2 -30.0 6.7 40.1 26.4 72 76 A G H <> S+ 0 0 11 -3,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.897 93.2 57.3 -55.5 -43.1 10.4 39.4 25.6 73 77 A K H << S+ 0 0 83 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.840 109.9 45.0 -57.0 -36.5 11.4 42.5 27.6 74 78 A Q H X< S+ 0 0 111 -4,-0.7 3,-1.4 -3,-0.6 -1,-0.2 0.887 110.4 51.9 -76.7 -40.1 9.7 41.2 30.6 75 79 A A H >< S+ 0 0 23 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.893 100.7 64.7 -61.9 -38.6 11.1 37.6 30.3 76 80 A A T 3< S+ 0 0 13 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.620 84.3 74.9 -60.2 -14.7 14.6 39.1 30.1 77 81 A K T < S+ 0 0 149 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.624 72.5 112.1 -74.7 -10.9 14.2 40.4 33.6 78 82 A A S < S- 0 0 34 -3,-2.2 3,-0.1 -4,-0.2 -3,-0.0 -0.254 88.4 -88.0 -61.1 149.1 14.7 36.9 34.9 79 83 A K - 0 0 81 1,-0.1 -1,-0.1 144,-0.1 -2,-0.1 -0.377 55.7-104.9 -58.0 130.4 18.0 36.2 36.7 80 84 A P + 0 0 73 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.338 43.1 178.6 -65.0 138.6 20.6 35.4 34.1 81 85 A T > - 0 0 4 146,-0.1 3,-2.7 -3,-0.1 4,-0.1 -0.637 52.6 -72.5-123.9-176.9 21.7 31.8 33.8 82 86 A F G > S+ 0 0 11 1,-0.3 3,-1.5 -2,-0.2 12,-0.1 0.741 126.4 67.0 -55.6 -24.4 24.2 30.1 31.4 83 87 A V G 3 S+ 0 0 45 1,-0.3 -1,-0.3 7,-0.0 7,-0.0 0.636 105.8 44.7 -70.7 -11.9 21.8 30.5 28.4 84 88 A D G < S+ 0 0 31 -3,-2.7 2,-0.3 -25,-0.1 -1,-0.3 0.136 102.7 93.1-114.7 17.7 22.3 34.3 28.8 85 89 A M < - 0 0 37 -3,-1.5 -4,-0.0 -26,-0.1 -3,-0.0 -0.791 54.8-152.8-119.2 158.2 26.1 34.2 29.2 86 90 A D > - 0 0 22 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.634 53.5 -31.0-111.9 172.8 29.3 34.4 27.2 87 91 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 258,-0.0 -0.379 121.7 15.1 -66.3 148.7 32.7 32.8 28.1 88 92 A P T > S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -3,-0.0 -0.990 129.3 48.4 -91.2 -6.9 34.0 32.2 30.7 89 93 A E H > S+ 0 0 105 -3,-0.5 4,-1.7 1,-0.2 5,-0.3 0.881 105.6 64.3 -56.3 -40.9 30.8 32.6 32.7 90 94 A H H >X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-0.7 0.956 109.8 31.4 -48.5 -69.2 28.9 30.4 30.2 91 95 A M H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.747 109.3 70.1 -66.7 -22.4 30.7 27.1 30.7 92 96 A H H 3< S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.9 25.9 -61.4 -39.4 31.4 27.9 34.3 93 97 A Q H X< S+ 0 0 14 -4,-1.7 3,-1.3 -3,-0.7 4,-0.4 0.833 118.5 57.4 -92.4 -37.2 27.7 27.4 35.0 94 98 A R H >X S+ 0 0 25 -4,-2.7 3,-1.6 -5,-0.3 4,-1.5 0.869 99.4 61.5 -62.0 -34.2 26.7 25.1 32.2 95 99 A S T 3< S+ 0 0 63 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.725 90.6 71.2 -64.1 -19.6 29.3 22.6 33.4 96 100 A M T <4 S+ 0 0 17 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.753 115.3 20.2 -68.4 -23.9 27.3 22.4 36.7 97 101 A V T X4 S+ 0 0 3 -3,-1.6 3,-1.0 -4,-0.4 4,-0.4 0.451 97.8 95.1-123.4 -4.9 24.5 20.5 35.0 98 102 A E G >X + 0 0 46 -4,-1.5 3,-1.9 1,-0.2 4,-0.6 0.824 68.3 75.1 -58.0 -36.7 26.2 19.1 31.8 99 103 A P G >4 S+ 0 0 81 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.818 92.2 55.7 -47.0 -36.9 27.0 15.7 33.4 100 104 A T G <4 S+ 0 0 28 -3,-1.0 -2,-0.2 1,-0.2 -3,-0.0 0.773 110.8 45.1 -68.0 -26.5 23.3 14.6 33.1 101 105 A F G <4 S+ 0 0 3 -3,-1.9 251,-0.3 -4,-0.4 252,-0.2 0.326 79.6 121.6-103.7 6.2 23.3 15.3 29.4 102 106 A T S S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.897 122.3 49.9 -56.3 -38.4 26.4 11.0 25.4 104 108 A E H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.937 110.9 47.1 -66.3 -46.3 27.4 8.5 28.0 105 109 A A H > S+ 0 0 26 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.890 112.8 49.5 -62.3 -41.2 24.8 9.7 30.5 106 110 A V H X S+ 0 0 10 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.859 107.5 54.7 -67.5 -35.0 22.1 9.6 27.9 107 111 A K H >< S+ 0 0 157 -4,-1.9 3,-0.9 -5,-0.3 -1,-0.2 0.917 108.1 49.0 -64.4 -41.7 23.1 6.1 26.8 108 112 A N H 3< S+ 0 0 109 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.708 107.3 57.0 -70.2 -18.0 22.7 4.9 30.4 109 113 A L H >X S+ 0 0 28 -4,-0.9 4,-2.2 -3,-0.2 3,-0.9 0.628 80.6 94.1 -86.4 -13.1 19.3 6.6 30.4 110 114 A Q H S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.887 112.4 46.2 -55.2 -36.7 16.4 1.8 29.4 112 116 A Y H <> S+ 0 0 37 -3,-0.9 4,-2.5 -4,-0.3 -2,-0.2 0.880 111.2 50.3 -73.0 -38.0 14.4 4.4 31.3 113 117 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.939 112.3 48.8 -64.4 -43.9 13.5 6.3 28.1 114 118 A Q H X S+ 0 0 52 -4,-3.2 4,-3.4 -5,-0.2 -2,-0.2 0.940 111.9 48.2 -60.1 -48.1 12.3 3.0 26.6 115 119 A R H X S+ 0 0 136 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.901 110.7 51.4 -59.9 -42.1 10.3 2.1 29.7 116 120 A T H X S+ 0 0 8 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.924 114.8 42.0 -61.9 -44.9 8.7 5.6 29.8 117 121 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.948 114.3 52.1 -67.1 -47.3 7.7 5.3 26.1 118 122 A D H X S+ 0 0 62 -4,-3.4 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.6 47.7 -54.9 -47.3 6.6 1.7 26.5 119 123 A D H X S+ 0 0 83 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.895 111.7 48.9 -63.8 -41.4 4.4 2.5 29.5 120 124 A L H X S+ 0 0 9 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.888 112.9 48.0 -66.7 -38.6 2.7 5.5 27.8 121 125 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.882 108.2 54.9 -68.8 -38.3 2.0 3.4 24.7 122 126 A E H X S+ 0 0 62 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.895 105.1 53.4 -62.6 -39.2 0.6 0.5 26.7 123 127 A Q H X S+ 0 0 122 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.863 107.6 51.0 -64.5 -34.3 -1.9 2.9 28.4 124 128 A M H X S+ 0 0 8 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.919 109.6 51.0 -66.3 -42.1 -3.1 4.0 25.0 125 129 A K H < S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.5 45.5 -60.9 -43.1 -3.5 0.4 24.0 126 130 A Q H < S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 113.7 48.2 -70.3 -35.6 -5.6 -0.3 27.1 127 131 A K H < S- 0 0 148 -4,-2.2 3,-0.2 -5,-0.2 -1,-0.2 0.786 97.5-173.3 -73.9 -26.7 -7.7 2.8 26.7 128 132 A G < - 0 0 23 -4,-2.0 -2,-0.1 -5,-0.2 -1,-0.1 0.033 32.5-110.0 61.7-173.6 -8.2 1.8 23.1 129 133 A C S > S+ 0 0 25 -4,-0.1 3,-1.5 5,-0.0 -1,-0.2 -0.011 72.2 123.2-145.0 28.1 -9.9 3.9 20.4 130 134 A A T 3 S+ 0 0 104 1,-0.3 -2,-0.1 -3,-0.2 -3,-0.0 0.842 80.1 47.4 -62.0 -35.0 -13.1 2.0 19.8 131 135 A N T 3 S- 0 0 175 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.227 132.3 -63.9 -92.0 13.9 -15.2 5.1 20.7 132 136 A G S < S- 0 0 28 -3,-1.5 -1,-0.3 2,-0.0 265,-0.1 -0.643 75.0 -39.1 129.1 172.9 -13.1 7.3 18.4 133 137 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 265,-0.2 -0.222 49.2-139.9 -69.4 160.9 -9.6 8.7 18.0 134 138 A V E -F 397 0B 29 263,-2.1 263,-2.6 261,-0.1 2,-0.8 -0.824 26.9-100.6-116.9 157.7 -7.5 9.8 20.9 135 139 A D E > -F 396 0B 44 -2,-0.3 4,-2.4 261,-0.2 5,-0.3 -0.709 25.6-161.3 -82.3 110.6 -5.2 12.9 21.1 136 140 A L H >>S+ 0 0 0 259,-2.7 5,-2.7 -2,-0.8 4,-1.4 0.810 89.0 56.2 -61.4 -28.6 -1.6 11.7 20.5 137 141 A V H 4>S+ 0 0 14 3,-0.2 5,-3.2 4,-0.2 3,-0.4 0.995 112.0 37.2 -67.3 -62.2 -0.3 14.9 22.0 138 142 A K H 45S+ 0 0 133 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.890 125.4 40.2 -57.5 -42.2 -2.1 14.7 25.4 139 143 A E H <5S- 0 0 47 -4,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.632 139.1 -6.5 -85.0 -14.1 -1.7 10.9 25.7 140 144 A F T X5S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.4 -3,-0.2 0.534 122.0 55.5-144.4 -58.7 1.9 10.6 24.4 141 145 A A T 4 S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.780 101.7 70.8 -67.8 -25.0 4.1 13.1 28.8 144 148 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.1 0.979 111.1 26.0 -58.4 -60.7 7.1 11.5 27.1 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.913 122.3 56.5 -70.2 -36.0 9.6 14.5 27.4 146 150 A S H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.939 107.8 46.1 -58.5 -51.5 7.8 15.9 30.4 147 151 A Y H X S+ 0 0 54 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.878 113.3 51.0 -60.9 -37.5 8.2 12.7 32.5 148 152 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.4 -2,-0.2 0.957 113.7 40.8 -67.2 -50.0 11.8 12.3 31.5 149 153 A I H X S+ 0 0 17 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.861 112.5 57.1 -68.1 -32.9 12.9 15.8 32.4 150 154 A Y H X>S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.3 5,-2.7 0.906 108.8 46.5 -62.8 -40.5 10.8 15.7 35.6 151 155 A T H <5S+ 0 0 57 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.902 114.4 47.1 -68.0 -40.2 12.7 12.6 36.7 152 156 A L H <5S+ 0 0 23 -4,-2.1 54,-2.9 1,-0.2 -2,-0.2 0.904 119.8 38.9 -67.7 -41.6 16.0 14.1 35.9 153 157 A L H <5S- 0 0 3 -4,-3.0 54,-1.5 52,-0.2 55,-0.3 0.884 113.8-110.5 -75.8 -42.0 15.2 17.4 37.7 154 158 A G T <5 + 0 0 10 -4,-2.9 -3,-0.2 -5,-0.3 -4,-0.1 0.664 64.2 147.9 112.2 31.1 13.3 15.9 40.6 155 159 A V < - 0 0 9 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.786 49.5-113.9 -99.5 139.1 9.8 17.1 39.8 156 160 A P > - 0 0 55 0, 0.0 3,-1.8 0, 0.0 -5,-0.0 -0.566 15.3-136.2 -75.8 129.9 6.7 15.1 40.7 157 161 A F G > S+ 0 0 69 -2,-0.3 3,-1.9 1,-0.3 -10,-0.0 0.765 97.5 72.4 -52.9 -33.3 4.6 13.6 37.7 158 162 A N G 3 S+ 0 0 144 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.757 89.7 61.5 -57.1 -25.2 1.3 14.7 39.3 159 163 A D G <> S+ 0 0 46 -3,-1.8 4,-2.9 1,-0.2 5,-0.3 0.276 70.3 108.2 -87.9 11.9 2.1 18.3 38.5 160 164 A L H <> S+ 0 0 8 -3,-1.9 4,-2.4 1,-0.2 5,-0.3 0.919 80.3 44.5 -53.1 -52.4 2.2 17.8 34.7 161 165 A E H > S+ 0 0 128 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.919 116.5 46.2 -61.6 -45.5 -1.0 19.6 34.0 162 166 A Y H > S+ 0 0 76 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.949 116.2 42.7 -63.0 -52.7 -0.3 22.5 36.3 163 167 A L H X S+ 0 0 4 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.879 115.5 49.6 -64.2 -38.5 3.3 23.0 35.1 164 168 A T H X S+ 0 0 47 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.928 112.9 48.5 -65.6 -43.7 2.4 22.6 31.5 165 169 A Q H X S+ 0 0 105 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.922 110.6 49.6 -61.7 -48.2 -0.5 25.1 31.9 166 170 A Q H X S+ 0 0 11 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.907 112.2 46.2 -62.0 -42.7 1.6 27.7 33.6 167 171 A N H X S+ 0 0 25 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.866 110.4 55.4 -68.3 -32.7 4.4 27.7 31.1 168 172 A A H X S+ 0 0 51 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.908 109.8 45.5 -63.7 -42.5 1.8 27.8 28.3 169 173 A I H < S+ 0 0 49 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.908 111.9 53.2 -66.4 -41.8 0.2 30.9 29.8 170 174 A R H < S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 120.0 31.1 -61.4 -41.4 3.7 32.4 30.3 171 175 A T H < S+ 0 0 84 -4,-2.3 2,-0.2 -5,-0.1 -1,-0.2 0.584 89.3 114.9 -96.4 -11.9 4.7 31.9 26.6 172 176 A N >< - 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0 0 71 -2,-0.3 4,-1.8 -3,-0.1 3,-0.6 -0.429 32.7 -96.7 -97.9 177.2 23.0 31.0 45.5 222 226 A K H 3> S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 123.5 53.9 -55.1 -46.1 19.5 29.5 46.1 223 227 A S H 3> S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.799 105.2 54.7 -62.1 -29.4 17.9 31.8 43.5 224 228 A D H <> S+ 0 0 35 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.911 107.1 50.2 -69.0 -43.1 20.5 30.7 40.9 225 229 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.927 110.5 50.0 -60.2 -44.8 19.5 27.1 41.5 226 230 A V H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.944 111.3 48.4 -59.2 -48.7 15.8 28.0 41.1 227 231 A Q H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.875 111.3 49.6 -60.0 -39.8 16.6 29.8 37.8 228 232 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.914 111.7 48.1 -66.1 -41.8 18.6 26.9 36.5 229 233 A A H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.894 111.8 51.6 -63.5 -39.9 15.8 24.4 37.4 230 234 A F H X S+ 0 0 14 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.932 109.1 50.2 -62.0 -46.5 13.4 26.8 35.7 231 235 A L H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.920 112.6 45.4 -58.9 -46.9 15.5 26.9 32.6 232 236 A L H < S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.740 114.5 50.2 -71.0 -22.2 15.8 23.1 32.3 233 237 A L H < S+ 0 0 13 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.890 121.5 29.5 -81.4 -42.0 12.1 22.8 33.0 234 238 A V H < S+ 0 0 20 -4,-2.6 4,-0.5 -5,-0.2 2,-0.3 0.792 98.3 88.7 -91.7 -31.0 10.8 25.3 30.4 235 239 A A S < S- 0 0 54 -4,-2.5 2,-0.1 -5,-0.3 0, 0.0 -0.539 107.4 -12.0 -74.2 129.5 13.5 25.2 27.7 236 240 A G S > S+ 0 0 39 -2,-0.3 4,-2.5 1,-0.1 -1,-0.2 0.151 101.1 104.3 73.9 -18.9 12.8 22.6 25.0 237 241 A N H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.974 88.2 40.3 -60.1 -55.6 10.0 20.5 26.6 238 242 A A H > S+ 0 0 50 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.833 113.6 56.9 -60.4 -32.6 7.2 22.0 24.5 239 243 A T H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 105.6 49.6 -66.0 -41.1 9.6 21.8 21.5 240 244 A M H X S+ 0 0 16 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.920 108.5 53.3 -62.7 -44.4 10.0 18.0 22.1 241 245 A V H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.947 111.7 45.7 -54.8 -49.9 6.3 17.6 22.3 242 246 A N H X S+ 0 0 31 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.880 109.5 54.5 -62.1 -40.2 5.9 19.4 18.9 243 247 A M H X S+ 0 0 13 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.889 108.9 48.3 -62.8 -40.2 8.7 17.4 17.4 244 248 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.958 115.2 44.5 -63.9 -49.5 7.1 14.1 18.3 245 249 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 113.9 49.9 -60.2 -44.8 3.7 15.3 16.9 246 250 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.847 106.7 56.6 -63.7 -33.3 5.4 16.6 13.8 247 251 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.928 108.2 46.3 -64.3 -43.1 7.2 13.3 13.3 248 252 A V H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.909 113.8 48.1 -66.0 -41.3 3.9 11.4 13.3 249 253 A A H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.893 110.5 52.5 -66.3 -38.9 2.3 13.9 10.9 250 254 A T H X S+ 0 0 6 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.900 108.2 50.1 -64.3 -40.8 5.3 13.8 8.6 251 255 A L H < S+ 0 0 0 -4,-2.1 7,-0.4 2,-0.2 -1,-0.2 0.846 109.6 50.5 -67.2 -33.4 5.2 10.0 8.4 252 256 A A H < S+ 0 0 34 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.2 50.0 -70.5 -33.8 1.5 10.0 7.5 253 257 A Q H < S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.704 115.0 45.0 -74.4 -21.4 2.4 12.6 4.8 254 258 A H >X + 0 0 43 -4,-1.2 4,-1.7 1,-0.1 3,-0.7 -0.649 68.0 172.0-125.9 73.1 5.2 10.3 3.5 255 259 A P H 3> S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.790 75.8 57.5 -49.5 -39.7 3.6 6.8 3.4 256 260 A D H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.907 108.5 45.8 -63.4 -42.1 6.6 5.2 1.6 257 261 A Q H <> S+ 0 0 16 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.830 110.4 53.0 -71.7 -31.6 9.0 6.3 4.4 258 262 A L H X S+ 0 0 18 -4,-1.7 4,-2.6 -7,-0.4 5,-0.2 0.898 106.2 54.6 -68.9 -38.2 6.7 5.1 7.1 259 263 A A H X S+ 0 0 53 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.912 108.4 48.9 -60.2 -41.5 6.5 1.7 5.4 260 264 A Q H X S+ 0 0 54 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.911 111.2 49.5 -63.0 -44.5 10.3 1.5 5.5 261 265 A L H < S+ 0 0 3 -4,-2.0 6,-0.2 2,-0.2 -2,-0.2 0.882 109.9 50.5 -63.7 -40.6 10.3 2.4 9.2 262 266 A K H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 111.6 48.0 -63.8 -42.8 7.7 -0.2 10.0 263 267 A A H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.840 130.5 19.7 -66.8 -33.2 9.7 -2.8 8.2 264 268 A N >< - 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