==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-SEP-12 4H1N . COMPND 2 MOLECULE: CYTOCHROME P450 2B4; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR M.B.SHAH,H.H.JANG,C.D.STOUT,J.R.HALPERT . 460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 6.3 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 1 0 0 1 1 1 2 2 2 1 2 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 2 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 29 A K 0 0 199 0, 0.0 350,-2.9 0, 0.0 348,-0.0 0.000 360.0 360.0 360.0 -17.9 8.6 34.1 -4.8 2 30 A L - 0 0 56 348,-0.2 3,-0.2 350,-0.1 37,-0.1 -0.925 360.0 -80.9-118.9 152.4 5.1 33.0 -3.7 3 31 A P S S- 0 0 6 0, 0.0 36,-0.2 0, 0.0 35,-0.2 -0.139 72.7 -70.9 -48.0 146.7 3.0 34.6 -0.9 4 32 A P - 0 0 52 0, 0.0 35,-0.9 0, 0.0 30,-0.0 -0.180 66.6-175.2 -53.2 112.0 4.1 33.5 2.6 5 33 A G - 0 0 41 -3,-0.2 35,-0.2 33,-0.2 2,-0.1 -0.810 26.6-108.5-111.7 150.3 3.0 29.8 2.9 6 34 A P - 0 0 2 0, 0.0 35,-0.1 0, 0.0 11,-0.1 -0.474 51.5 -85.9 -72.5 149.3 3.1 27.3 5.7 7 35 A S - 0 0 104 -2,-0.1 2,-0.2 1,-0.1 33,-0.0 -0.375 53.7-152.9 -60.0 109.3 5.6 24.4 5.4 8 36 A P - 0 0 62 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.489 10.6-130.5 -86.4 154.7 3.8 21.7 3.4 9 37 A L B > -A 13 0A 43 4,-1.9 4,-1.7 -2,-0.2 6,-0.1 -0.763 41.6 -97.9 -88.1 147.1 4.3 17.9 3.4 10 38 A P T 4 S- 0 0 113 0, 0.0 2,-3.0 0, 0.0 34,-0.1 -0.371 100.7 -1.5 -64.4 150.2 4.8 16.4 -0.1 11 39 A V T 4 S+ 0 0 114 1,-0.2 34,-0.1 32,-0.1 -2,-0.0 -0.254 131.2 61.0 66.4 -54.2 1.6 14.9 -1.6 12 40 A L T >4 S- 0 0 84 -2,-3.0 3,-0.8 1,-0.2 31,-0.5 0.691 86.9-167.6 -75.6 -21.3 -0.5 15.7 1.5 13 41 A G B 3< -A 9 0A 4 -4,-1.7 -4,-1.9 1,-0.2 3,-0.4 -0.340 57.1 -22.8 68.7-146.1 -0.0 19.5 1.3 14 42 A N T >> S+ 0 0 0 27,-3.1 3,-1.9 1,-0.2 4,-0.6 0.039 90.5 130.7 -89.2 29.2 -0.9 21.8 4.1 15 43 A L G X4 + 0 0 64 -3,-0.8 3,-2.2 1,-0.3 -1,-0.2 0.884 65.7 55.4 -45.0 -53.8 -3.4 19.3 5.6 16 44 A L G 34 S+ 0 0 152 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.504 107.3 50.7 -69.0 -2.5 -2.1 19.4 9.2 17 45 A Q G <4 S+ 0 0 88 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.427 91.0 100.9-112.1 -2.3 -2.5 23.1 9.4 18 46 A M S << S- 0 0 38 -3,-2.2 2,-0.4 -4,-0.6 5,-0.1 -0.326 73.5-121.4 -73.1 162.8 -6.1 23.0 8.2 19 47 A D > - 0 0 62 3,-0.3 3,-1.2 4,-0.2 7,-0.2 -0.889 11.0-137.3-102.0 140.4 -9.0 23.4 10.5 20 48 A R T 3 S+ 0 0 82 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.712 93.9 79.0 -66.9 -20.7 -11.6 20.5 10.6 21 49 A K T 3 S- 0 0 65 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.564 112.9 -70.6 -69.7 -9.9 -14.5 23.0 10.6 22 50 A G <> - 0 0 8 -3,-1.2 4,-2.0 1,-0.2 -3,-0.3 -0.490 47.4 -79.4 134.4 157.7 -14.2 23.6 6.8 23 51 A L H >> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 3,-1.8 0.966 124.4 53.9 -46.4 -65.3 -12.0 25.2 4.2 24 52 A L H 3> S+ 0 0 38 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.860 110.2 45.8 -40.7 -57.4 -13.3 28.6 4.9 25 53 A R H 3> S+ 0 0 145 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.804 111.7 55.6 -56.7 -30.3 -12.5 28.4 8.6 26 54 A S H X S+ 0 0 12 -4,-1.5 4,-3.1 1,-0.2 3,-1.1 0.899 102.2 63.5 -68.6 -44.0 -4.2 31.1 8.5 31 59 A R H 3X S+ 0 0 76 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.855 95.9 61.8 -48.7 -41.6 -4.9 34.8 7.6 32 60 A E H 3< S+ 0 0 167 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.885 117.3 27.5 -50.5 -45.8 -4.4 35.6 11.3 33 61 A K H << S+ 0 0 79 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.880 128.1 38.6 -86.6 -41.3 -0.8 34.3 11.1 34 62 A Y H < S- 0 0 85 -4,-3.1 3,-0.3 1,-0.3 -3,-0.2 0.379 102.5-119.1-103.2 2.8 0.2 34.8 7.4 35 63 A G < - 0 0 34 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.232 49.5 -44.0 90.4-178.2 -1.4 38.2 6.5 36 64 A D S S+ 0 0 53 1,-0.2 15,-3.1 14,-0.1 2,-0.4 0.714 128.5 37.8 -61.6 -27.7 -4.0 39.4 4.0 37 65 A V E S+B 50 0B 8 -3,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.966 76.1 150.7-132.0 117.2 -2.5 37.4 1.1 38 66 A F E -B 49 0B 0 11,-1.4 11,-3.1 -2,-0.4 2,-0.4 -0.821 37.1-118.7-137.3 175.5 -1.0 33.9 1.6 39 67 A T E -B 48 0B 3 -35,-0.9 2,-0.3 -2,-0.2 9,-0.2 -0.976 24.9-178.1-122.9 131.2 -0.4 30.5 -0.0 40 68 A V E -B 47 0B 0 7,-1.6 7,-2.5 -2,-0.4 2,-0.8 -0.942 25.0-126.1-127.9 149.4 -1.8 27.1 1.1 41 69 A Y E -B 46 0B 66 -2,-0.3 -27,-3.1 5,-0.2 2,-1.5 -0.832 15.4-171.0-101.7 103.5 -1.2 23.6 -0.3 42 70 A L E > S-B 45 0B 1 3,-1.5 3,-0.9 -2,-0.8 2,-0.7 -0.672 74.0 -56.0 -87.3 79.4 -4.4 21.8 -1.2 43 71 A G T 3 S- 0 0 3 -2,-1.5 -30,-0.1 -31,-0.5 -28,-0.1 -0.767 116.8 -20.9 88.0-111.8 -2.6 18.4 -1.8 44 72 A S T 3 S+ 0 0 105 -2,-0.7 -1,-0.2 145,-0.3 -32,-0.1 0.534 124.2 77.1-109.4 -11.8 0.1 18.9 -4.4 45 73 A R E < S-B 42 0B 58 -3,-0.9 -3,-1.5 144,-0.2 2,-0.2 -0.861 72.0-142.1-102.6 132.7 -1.3 22.1 -6.0 46 74 A P E -B 41 0B 31 0, 0.0 311,-0.7 0, 0.0 2,-0.4 -0.627 13.3-163.0 -89.8 153.4 -0.8 25.4 -4.3 47 75 A V E -Bc 40 357B 0 -7,-2.5 -7,-1.6 -2,-0.2 2,-0.2 -0.968 17.2-130.4-140.1 127.0 -3.3 28.3 -4.3 48 76 A V E -Bc 39 358B 6 309,-1.9 311,-2.8 -2,-0.4 2,-0.4 -0.511 24.8-152.9 -67.0 133.4 -3.1 32.0 -3.5 49 77 A V E -Bc 38 359B 0 -11,-3.1 -11,-1.4 -2,-0.2 2,-0.5 -0.927 2.7-155.6-111.3 133.0 -5.7 33.2 -0.9 50 78 A L E -Bc 37 360B 0 309,-2.4 311,-2.0 -2,-0.4 2,-0.4 -0.938 12.9-178.3-112.6 120.1 -7.0 36.8 -0.8 51 79 A C + 0 0 0 -15,-3.1 4,-0.4 -2,-0.5 311,-0.1 -0.930 45.7 26.9-118.2 141.0 -8.4 38.2 2.4 52 80 A G S > S- 0 0 1 309,-0.4 4,-1.5 -2,-0.4 313,-0.2 0.146 87.3 -86.4 89.6 151.4 -9.9 41.7 2.9 53 81 A T H > S+ 0 0 0 311,-0.3 4,-2.3 1,-0.2 5,-0.2 0.894 121.8 51.9 -56.9 -47.6 -11.5 44.1 0.5 54 82 A D H > S+ 0 0 64 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.918 107.0 50.4 -61.8 -49.9 -8.3 45.8 -0.7 55 83 A A H > S+ 0 0 0 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.872 113.9 46.4 -55.9 -41.1 -6.4 42.6 -1.6 56 84 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.4 0.862 114.5 46.8 -71.4 -37.9 -9.4 41.4 -3.7 57 85 A R H X>S+ 0 0 55 -4,-2.3 5,-2.4 2,-0.2 4,-1.8 0.893 109.3 54.9 -68.6 -41.1 -9.8 44.8 -5.3 58 86 A E H <5S+ 0 0 70 -4,-3.2 5,-0.3 3,-0.2 -2,-0.2 0.817 120.5 31.3 -59.5 -36.0 -6.1 45.0 -6.1 59 87 A A H <5S+ 0 0 0 -4,-1.3 8,-0.5 -5,-0.2 4,-0.4 0.925 126.2 36.4 -87.6 -55.9 -6.3 41.6 -7.8 60 88 A L H <5S+ 0 0 3 -4,-2.8 343,-0.6 -5,-0.2 -3,-0.2 0.721 132.6 21.2 -79.9 -23.9 -9.7 41.4 -9.4 61 89 A V T ><5S+ 0 0 61 -4,-1.8 3,-1.0 -5,-0.4 -3,-0.2 0.808 129.7 39.4-107.9 -50.7 -10.2 45.1 -10.4 62 90 A D T 3 S+ 0 0 68 -4,-0.4 4,-1.7 -6,-0.3 -1,-0.3 -0.146 85.9 158.1-110.7 42.7 -5.2 43.5 -12.2 64 92 A A T X4 + 0 0 24 -3,-1.0 3,-0.5 1,-0.2 339,-0.2 0.769 69.0 36.2 -36.1 -57.1 -8.5 42.5 -13.7 65 93 A E G >4 S+ 0 0 85 1,-0.2 3,-3.4 2,-0.2 277,-0.2 0.926 108.2 63.0 -61.8 -53.9 -7.3 40.3 -16.5 66 94 A A G 34 S+ 0 0 12 1,-0.3 276,-1.9 275,-0.1 3,-0.3 0.871 114.9 36.5 -38.1 -42.0 -4.4 38.8 -14.6 67 95 A F G << S+ 0 0 5 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 -0.026 88.9 101.2-104.9 29.1 -7.0 37.4 -12.3 68 96 A S < + 0 0 10 -3,-3.4 2,-0.2 -5,-0.1 -1,-0.2 0.353 54.9 109.9 -91.0 -1.0 -9.7 36.6 -15.0 69 97 A G E -D 340 0B 0 271,-1.7 271,-2.5 -3,-0.3 2,-0.4 -0.542 62.2-130.6 -83.7 149.3 -9.0 32.9 -15.2 70 98 A R E -D 339 0B 21 269,-0.3 269,-0.2 18,-0.2 2,-0.2 -0.820 14.6-150.2-103.1 136.8 -11.3 30.2 -13.9 71 99 A G - 0 0 6 267,-1.5 2,-0.2 -2,-0.4 269,-0.1 -0.588 22.5-105.9 -97.3 162.3 -10.4 27.2 -11.7 72 100 A K - 0 0 102 -2,-0.2 2,-0.6 267,-0.1 -1,-0.1 -0.552 11.7-144.5 -84.7 148.9 -11.9 23.7 -11.6 73 101 A I >> - 0 0 5 -2,-0.2 3,-2.9 1,-0.1 4,-2.0 -0.953 18.3-146.8-107.9 107.2 -14.2 22.4 -8.8 74 102 A A T 34 S+ 0 0 12 -2,-0.6 -1,-0.1 1,-0.3 114,-0.0 0.713 92.5 59.7 -46.1 -31.6 -13.1 18.7 -8.7 75 103 A V T 34 S+ 0 0 7 1,-0.2 -1,-0.3 109,-0.1 110,-0.0 0.617 121.0 23.3 -79.0 -14.3 -16.5 17.5 -7.8 76 104 A V T X> S+ 0 0 1 -3,-2.9 4,-2.2 2,-0.1 3,-1.2 0.471 96.9 91.9-125.3 -11.9 -18.2 18.9 -11.0 77 105 A D H 3X S+ 0 0 46 -4,-2.0 4,-3.3 1,-0.3 -3,-0.1 0.826 81.5 60.6 -57.7 -36.8 -15.2 19.1 -13.3 78 106 A P H 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.863 111.2 42.5 -54.7 -34.2 -15.9 15.6 -14.7 79 107 A I H <4 S+ 0 0 13 -3,-1.2 -2,-0.2 1,-0.1 -3,-0.1 0.911 125.6 31.8 -78.7 -36.0 -19.2 17.0 -15.8 80 108 A F H >< - 0 0 0 -4,-2.2 3,-2.8 2,-0.1 -3,-0.2 0.794 69.6-171.5 -98.8 -32.2 -17.9 20.3 -17.1 81 109 A Q T 3< S- 0 0 120 -4,-3.3 3,-0.1 1,-0.3 -4,-0.1 0.775 78.5 -59.3 44.9 32.9 -14.4 19.6 -18.5 82 110 A G T 3 S+ 0 0 18 1,-0.3 7,-0.4 -5,-0.1 -1,-0.3 0.647 109.4 120.5 70.6 21.6 -14.0 23.4 -18.9 83 111 A Y < + 0 0 57 -3,-2.8 4,-0.4 5,-0.1 -1,-0.3 -0.744 46.9 48.0-107.0 157.6 -16.9 23.8 -21.3 84 112 A G S > S- 0 0 0 -2,-0.3 4,-1.2 1,-0.1 177,-0.2 0.070 96.6 -71.1 89.1 158.0 -19.8 26.2 -20.5 85 113 A V T 4 S+ 0 0 11 172,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.809 123.5 44.9 -56.1 -43.6 -20.0 29.8 -19.3 86 114 A I T 4 S+ 0 0 15 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.938 121.6 32.2 -69.8 -46.3 -18.8 29.4 -15.7 87 115 A F T 4 S+ 0 0 9 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.2 0.323 91.0 109.0-104.6 5.9 -15.8 27.0 -16.2 88 116 A A < - 0 0 0 -4,-1.2 2,-0.2 -3,-0.1 -18,-0.2 -0.317 47.5-161.4 -73.3 162.1 -14.5 28.1 -19.5 89 117 A N >> + 0 0 70 -7,-0.4 4,-2.0 -20,-0.1 3,-0.6 -0.794 48.0 0.2-131.4 178.5 -11.2 30.0 -20.0 90 118 A G H 3> S- 0 0 43 -2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.026 127.3 -11.1 44.8-136.4 -9.5 32.1 -22.7 91 119 A E H 3> S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.843 133.7 62.0 -63.5 -36.3 -11.4 32.6 -25.9 92 120 A R H <> S+ 0 0 68 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.931 109.5 40.5 -55.3 -50.0 -14.0 29.9 -25.0 93 121 A W H X S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.912 115.4 50.9 -65.3 -45.9 -15.1 32.0 -21.9 94 122 A R H X S+ 0 0 119 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.937 111.7 45.4 -61.2 -49.5 -15.0 35.3 -23.7 95 123 A A H X S+ 0 0 14 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.885 116.3 46.8 -60.6 -41.1 -17.1 34.3 -26.7 96 124 A L H X S+ 0 0 0 -4,-1.6 4,-3.4 -5,-0.3 -2,-0.2 0.901 113.0 46.5 -71.0 -45.0 -19.7 32.6 -24.5 97 125 A R H X S+ 0 0 36 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.926 111.0 53.3 -61.5 -46.8 -20.0 35.4 -21.9 98 126 A R H X S+ 0 0 117 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.899 115.7 41.6 -52.6 -43.0 -20.3 37.9 -24.7 99 127 A F H X S+ 0 0 15 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.912 116.6 46.8 -70.9 -45.7 -23.1 35.7 -26.1 100 128 A S H X S+ 0 0 0 -4,-3.4 4,-2.2 2,-0.2 5,-0.3 0.949 110.9 50.5 -63.1 -52.2 -24.8 35.0 -22.7 101 129 A L H X S+ 0 0 80 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.884 114.8 43.9 -53.9 -46.4 -24.8 38.6 -21.5 102 130 A A H < S+ 0 0 35 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.855 112.2 52.0 -69.5 -37.8 -26.3 39.9 -24.7 103 131 A T H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.893 103.9 52.9 -72.3 -44.1 -29.0 37.2 -25.0 104 132 A M H < S+ 0 0 29 -4,-2.2 2,-1.8 1,-0.2 -1,-0.2 0.797 93.5 83.6 -60.7 -25.5 -30.5 37.4 -21.5 105 133 A R < 0 0 157 -4,-0.7 -1,-0.2 -5,-0.3 6,-0.0 -0.626 360.0 360.0 -78.3 84.8 -30.8 41.1 -22.5 106 134 A D 0 0 145 -2,-1.8 -1,-0.2 4,-0.1 3,-0.1 0.284 360.0 360.0 172.1 360.0 -34.1 40.6 -24.4 107 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 108 138 A G 0 0 79 0, 0.0 3,-0.1 0, 0.0 125,-0.1 0.000 360.0 360.0 360.0 32.0 -42.1 34.9 -24.1 109 139 A K + 0 0 184 123,-0.3 2,-0.5 1,-0.2 124,-0.0 0.561 360.0 116.5 67.5 1.7 -41.2 38.3 -25.7 110 140 A R S S- 0 0 46 1,-0.1 5,-0.3 2,-0.0 -1,-0.2 -0.924 76.1-105.3-103.1 125.6 -42.1 39.8 -22.2 111 141 A S > - 0 0 57 -2,-0.5 4,-2.0 1,-0.1 3,-0.4 0.078 30.0-101.1 -51.9 160.8 -39.0 41.4 -20.6 112 142 A V H > S+ 0 0 39 1,-0.2 4,-1.8 -8,-0.2 5,-0.2 0.851 122.6 56.7 -50.5 -41.2 -37.1 39.8 -17.7 113 143 A E H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.933 107.1 47.3 -56.2 -50.5 -38.9 42.1 -15.2 114 144 A E H > S+ 0 0 100 -3,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.869 109.0 53.0 -64.1 -39.4 -42.4 41.0 -16.4 115 145 A R H X S+ 0 0 23 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.860 112.4 46.1 -63.0 -35.8 -41.5 37.3 -16.2 116 146 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.889 112.7 49.5 -73.3 -40.7 -40.4 37.9 -12.6 117 147 A Q H X S+ 0 0 45 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.910 114.0 47.2 -59.0 -45.3 -43.5 39.9 -11.8 118 148 A E H X S+ 0 0 76 -4,-2.9 4,-1.7 2,-0.2 3,-0.3 0.945 110.4 50.3 -63.0 -51.3 -45.6 37.2 -13.3 119 149 A E H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.862 108.3 54.9 -55.8 -38.3 -43.7 34.4 -11.4 120 150 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.880 103.6 54.1 -62.3 -40.9 -44.3 36.4 -8.2 121 151 A R H X S+ 0 0 129 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.867 107.3 51.6 -61.6 -38.7 -48.1 36.5 -8.8 122 152 A C H X S+ 0 0 12 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.940 109.6 49.2 -60.9 -48.8 -48.0 32.7 -9.1 123 153 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.898 111.0 50.0 -57.8 -43.9 -46.2 32.5 -5.8 124 154 A V H X S+ 0 0 16 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.901 112.5 47.0 -61.7 -42.2 -48.7 34.8 -4.2 125 155 A E H X S+ 0 0 101 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.859 113.8 49.2 -66.4 -36.5 -51.6 32.7 -5.6 126 156 A E H >X S+ 0 0 47 -4,-2.6 4,-0.8 1,-0.2 3,-0.7 0.909 107.7 52.8 -68.7 -43.2 -49.8 29.6 -4.3 127 157 A L H 3<>S+ 0 0 2 -4,-2.8 5,-0.5 1,-0.3 4,-0.2 0.760 101.6 60.2 -69.3 -26.2 -49.2 30.9 -0.8 128 158 A R H ><5S+ 0 0 108 -4,-1.3 3,-1.4 1,-0.2 -1,-0.3 0.836 96.6 62.3 -63.9 -35.5 -52.9 31.8 -0.3 129 159 A K H <<5S+ 0 0 138 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.856 91.6 61.8 -63.2 -38.7 -53.8 28.1 -0.9 130 160 A S T ><5S- 0 0 43 -4,-0.8 3,-2.2 -3,-0.1 -1,-0.3 0.656 95.3-154.1 -58.5 -16.2 -51.8 27.0 2.2 131 161 A K T < 5 - 0 0 115 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.712 67.9 -40.4 44.9 31.8 -54.4 29.3 3.9 132 162 A G T 3 - 0 0 49 -2,-0.3 3,-0.8 318,-0.2 4,-0.4 -0.955 20.8-154.1-113.1 108.7 -41.0 25.0 4.8 137 167 A N T 3> S+ 0 0 0 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.575 70.0 97.8 -70.8 -7.5 -40.3 27.5 2.0 138 168 A T H 3> S+ 0 0 37 315,-0.3 4,-2.3 1,-0.2 3,-0.4 0.895 85.5 43.8 -36.0 -68.5 -37.4 25.6 0.6 139 169 A L H <> S+ 0 0 71 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.927 115.1 48.3 -55.5 -46.3 -39.5 23.9 -2.2 140 170 A L H > S+ 0 0 16 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.842 112.7 48.0 -58.3 -38.2 -41.3 27.1 -3.2 141 171 A F H X S+ 0 0 3 -4,-2.5 4,-1.7 -3,-0.4 5,-0.2 0.894 111.6 47.5 -78.3 -41.6 -38.2 29.2 -3.3 142 172 A H H X S+ 0 0 20 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.823 112.4 54.9 -60.9 -32.2 -36.1 26.8 -5.4 143 173 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.870 107.6 45.1 -72.6 -40.2 -39.2 26.6 -7.7 144 174 A I H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.911 113.9 47.8 -73.0 -42.5 -39.6 30.3 -8.4 145 175 A T H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 3,-0.3 0.871 111.8 51.5 -65.1 -38.6 -36.0 31.0 -9.1 146 176 A S H X S+ 0 0 5 -4,-1.4 4,-3.4 1,-0.2 5,-0.2 0.885 102.2 59.6 -65.6 -41.4 -35.8 28.0 -11.4 147 177 A N H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.818 102.3 54.3 -56.4 -33.1 -38.9 29.1 -13.4 148 178 A I H X S+ 0 0 4 -4,-1.1 4,-1.5 -3,-0.3 -1,-0.2 0.952 112.2 41.8 -67.5 -49.6 -37.0 32.3 -14.3 149 179 A I H >X S+ 0 0 12 -4,-1.4 4,-3.0 1,-0.2 3,-0.7 0.952 115.4 52.1 -59.1 -50.0 -34.0 30.4 -15.7 150 180 A C H 3X>S+ 0 0 4 -4,-3.4 4,-1.9 1,-0.3 6,-1.1 0.838 108.7 50.5 -52.6 -39.2 -36.5 28.0 -17.3 151 181 A S H 3<5S+ 0 0 32 -4,-2.1 -1,-0.3 4,-0.2 -2,-0.2 0.768 113.6 45.9 -73.2 -26.2 -38.4 31.0 -18.8 152 182 A I H <<5S+ 0 0 32 -4,-1.5 82,-2.9 -3,-0.7 -2,-0.2 0.908 128.1 22.9 -79.3 -45.8 -35.1 32.3 -20.2 153 183 A V H <5S+ 0 0 0 -4,-3.0 82,-1.1 80,-0.2 83,-0.3 0.870 133.6 30.6 -94.7 -41.9 -33.7 29.1 -21.7 154 184 A F T <5S- 0 0 10 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.658 96.2-126.0 -93.1 -18.1 -36.7 26.8 -22.3 155 185 A G S - 0 0 52 -3,-0.3 4,-1.7 1,-0.1 -4,-0.0 -0.175 53.7-151.4 -46.3 121.2 -46.1 19.3 -11.3 163 193 A P H > S+ 0 0 105 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.862 89.3 45.8 -68.9 -40.9 -44.6 15.8 -10.4 164 194 A V H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.932 111.5 51.4 -72.8 -46.8 -41.9 15.6 -13.1 165 195 A F H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.959 109.0 52.4 -46.2 -58.5 -40.6 19.2 -12.6 166 196 A L H X S+ 0 0 35 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.775 106.9 52.7 -53.4 -34.8 -40.2 18.5 -8.9 167 197 A R H X S+ 0 0 124 -4,-1.2 4,-2.4 -3,-0.3 5,-0.2 0.933 111.6 42.4 -72.1 -48.2 -38.2 15.3 -9.4 168 198 A L H X S+ 0 0 26 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.918 117.7 50.2 -61.3 -42.8 -35.5 16.8 -11.6 169 199 A L H X S+ 0 0 11 -4,-2.7 4,-2.3 -5,-0.3 5,-0.3 0.947 108.0 53.2 -56.1 -53.1 -35.6 19.8 -9.3 170 200 A D H X S+ 0 0 73 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.919 113.7 40.8 -47.7 -54.1 -35.2 17.5 -6.2 171 201 A L H X S+ 0 0 12 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.724 111.2 59.1 -74.4 -21.6 -32.1 15.7 -7.7 172 202 A F H X S+ 0 0 11 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.921 111.8 38.0 -68.4 -45.9 -30.7 19.1 -8.9 173 203 A F H X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.664 108.6 62.8 -83.8 -16.9 -30.6 20.6 -5.5 174 204 A Q H X S+ 0 0 98 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.2 0.817 101.3 55.8 -67.9 -33.0 -29.6 17.4 -3.8 175 205 A S H X S+ 0 0 0 -4,-0.9 4,-1.9 2,-0.2 3,-0.3 0.924 106.1 48.2 -64.6 -46.7 -26.4 17.8 -6.0 176 206 A F H X S+ 0 0 4 -4,-1.1 4,-2.9 1,-0.2 3,-0.3 0.939 108.2 53.5 -59.8 -48.8 -25.7 21.2 -4.6 177 207 A S H < S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.8 46.3 -57.0 -28.4 -26.1 20.1 -1.0 178 208 A L H < S+ 0 0 48 -4,-1.1 6,-0.3 -3,-0.3 -1,-0.3 0.768 109.3 53.3 -84.0 -29.4 -23.6 17.4 -1.9 179 209 A I H < S+ 0 0 2 -4,-1.9 267,-0.4 -3,-0.3 -2,-0.2 0.858 111.8 46.2 -69.6 -37.3 -21.3 19.8 -3.6 180 210 A S S < S+ 0 0 2 -4,-2.9 -1,-0.2 265,-0.1 -2,-0.2 0.541 93.0 116.1 -80.0 -8.5 -21.3 22.0 -0.4 181 211 A S S >> S- 0 0 21 -5,-0.3 4,-1.3 -4,-0.2 3,-0.7 -0.199 79.5-119.6 -63.5 151.7 -20.8 18.9 1.8 182 212 A F H 3> S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.777 117.1 61.7 -55.7 -29.4 -17.6 18.4 3.9 183 213 A S H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.830 100.4 50.8 -68.5 -36.1 -17.2 15.3 1.7 184 214 A S H <> S+ 0 0 2 -3,-0.7 4,-1.3 -6,-0.3 -1,-0.2 0.788 109.2 51.9 -71.6 -30.1 -16.9 17.4 -1.4 185 215 A Q H X S+ 0 0 11 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.902 109.1 48.1 -72.5 -42.9 -14.3 19.6 0.3 186 216 A V H X S+ 0 0 55 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.902 110.4 54.5 -60.1 -40.1 -12.2 16.5 1.2 187 217 A F H X S+ 0 0 13 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.831 99.2 61.5 -62.2 -35.2 -12.6 15.4 -2.4 188 218 A E H < S+ 0 0 20 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.936 107.3 44.3 -57.5 -47.9 -11.2 18.8 -3.6 189 219 A L H < S+ 0 0 24 -4,-1.3 -145,-0.3 1,-0.2 -2,-0.2 0.907 130.5 20.2 -62.2 -47.3 -7.9 18.1 -1.9 190 220 A F H >X S+ 0 0 58 -4,-1.7 4,-2.2 1,-0.1 3,-2.0 -0.009 74.1 132.6-121.9 30.0 -7.4 14.4 -2.9 191 221 A S H 3X + 0 0 38 -4,-1.1 4,-1.1 -3,-0.5 -1,-0.1 0.809 68.8 66.5 -50.2 -37.0 -9.6 13.9 -6.0 192 222 A G H 34 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.740 113.5 30.7 -59.6 -26.8 -6.8 12.2 -7.9 193 223 A F H X4 S+ 0 0 143 -3,-2.0 3,-0.9 -6,-0.1 -2,-0.2 0.807 118.8 53.8 -95.8 -40.5 -6.9 9.3 -5.4 194 224 A L H 3< S+ 0 0 45 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.356 84.3 82.0 -85.1 3.4 -10.6 9.3 -4.5 195 225 A K T 3< S+ 0 0 117 -4,-1.1 -1,-0.2 1,-0.2 -3,-0.1 0.534 90.7 54.0 -84.7 -5.9 -12.1 9.1 -8.0 196 226 A Y S < S+ 0 0 165 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.495 101.6 73.5 -99.6 -10.2 -11.6 5.3 -8.0 197 227 A F S S- 0 0 107 -3,-0.3 2,-0.2 -4,-0.1 5,-0.1 -0.645 93.1-101.0 -98.0 156.0 -13.5 5.0 -4.7 198 228 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.601 64.1 128.4 -71.3 143.2 -17.3 5.2 -4.1 199 229 A G S >> S- 0 0 38 -2,-0.2 3,-1.6 -4,-0.1 4,-0.7 -0.957 74.1 -65.9-177.4-179.5 -18.2 8.6 -2.7 200 230 A T H 3> S+ 0 0 35 -2,-0.3 4,-2.3 1,-0.3 3,-0.4 0.771 118.0 73.1 -59.1 -27.4 -20.5 11.6 -3.1 201 231 A H H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.827 94.3 52.3 -57.0 -34.2 -18.8 12.5 -6.4 202 232 A R H <> S+ 0 0 122 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.829 109.5 48.6 -72.4 -33.1 -20.5 9.6 -8.1 203 233 A Q H X S+ 0 0 76 -4,-0.7 4,-2.3 -3,-0.4 -2,-0.2 0.877 112.0 49.1 -70.9 -39.0 -23.9 10.7 -6.9 204 234 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.892 110.7 52.4 -65.4 -39.8 -23.1 14.2 -8.1 205 235 A Y H X S+ 0 0 109 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.890 113.4 41.3 -62.6 -44.6 -22.0 12.8 -11.4 206 236 A R H X S+ 0 0 170 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.885 112.3 54.4 -74.1 -39.4 -25.2 10.8 -12.0 207 237 A N H X S+ 0 0 8 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.908 115.1 39.7 -59.9 -42.8 -27.6 13.5 -10.8 208 238 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.930 111.1 55.1 -75.6 -46.3 -26.1 16.1 -13.2 209 239 A Q H X S+ 0 0 44 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.836 108.5 52.2 -53.3 -35.3 -25.7 13.7 -16.2 210 240 A E H X S+ 0 0 72 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.877 108.4 49.2 -68.2 -39.8 -29.5 13.0 -15.8 211 241 A I H X S+ 0 0 14 -4,-1.2 4,-2.3 -3,-0.2 -2,-0.2 0.940 108.7 53.8 -61.9 -47.3 -30.3 16.7 -15.8 212 242 A N H X S+ 0 0 26 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.840 102.2 59.3 -54.6 -37.4 -28.2 17.1 -18.9 213 243 A T H X S+ 0 0 85 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.951 107.6 44.3 -57.7 -51.0 -30.2 14.3 -20.5 214 244 A F H X S+ 0 0 58 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.884 112.6 52.9 -62.1 -39.3 -33.4 16.3 -20.1 215 245 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 3,-0.3 0.981 109.0 49.4 -57.3 -55.0 -31.6 19.4 -21.3 216 246 A G H X S+ 0 0 15 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.881 109.3 51.8 -49.0 -48.1 -30.5 17.6 -24.5 217 247 A Q H X S+ 0 0 116 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.895 108.6 51.0 -57.6 -43.1 -34.0 16.4 -25.1 218 248 A S H X S+ 0 0 13 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.857 107.2 54.7 -64.2 -37.3 -35.3 19.9 -24.8 219 249 A V H X S+ 0 0 7 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.961 110.3 45.2 -57.3 -55.0 -32.6 21.0 -27.3 220 250 A E H X S+ 0 0 130 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.933 113.0 49.4 -54.1 -52.6 -33.8 18.4 -29.9 221 251 A K H X S+ 0 0 79 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.867 113.9 47.6 -56.4 -39.8 -37.5 19.3 -29.4 222 252 A H H >X S+ 0 0 17 -4,-2.2 4,-1.3 2,-0.2 3,-0.8 0.933 110.2 51.7 -64.4 -49.5 -36.6 23.0 -29.8 223 253 A R H 3< S+ 0 0 155 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.835 109.7 50.2 -55.5 -38.5 -34.5 22.2 -32.9 224 254 A A H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.697 119.0 36.7 -74.7 -22.6 -37.5 20.4 -34.5 225 255 A T H << S+ 0 0 78 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.490 88.3 140.4-107.7 -8.1 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