==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-12 3ZG3 . COMPND 2 MOLECULE: STEROL 14-ALPHA DEMETHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR T.Y.HARGROVE,Z.WAWRZAK,M.KEENAN,E.CHATELAIN,G.I.LEPESHEVA . 445 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.3 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 . 1 0.2 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 . 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 . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 4 0 3 1 0 0 0 2 2 1 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 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 . 2 3 0 1 2 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 . 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 29 A K 0 0 190 0, 0.0 2,-0.2 0, 0.0 339,-0.1 0.000 360.0 360.0 360.0 47.0 -7.3 5.6 -33.5 2 30 A K - 0 0 141 337,-0.3 339,-2.0 1,-0.1 0, 0.0 -0.582 360.0-109.2-104.0 166.3 -7.5 3.8 -30.2 3 31 A T - 0 0 49 337,-0.2 339,-0.1 -2,-0.2 3,-0.1 -0.550 42.4 -80.9 -96.0 156.7 -5.2 3.4 -27.2 4 32 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 36,-0.2 -0.139 58.3 -90.1 -51.9 146.5 -3.2 0.4 -25.9 5 33 A P - 0 0 40 0, 0.0 36,-0.5 0, 0.0 2,-0.3 -0.489 45.8-130.4 -69.4 113.4 -5.0 -2.1 -23.8 6 34 A V B -a 41 0A 70 -2,-0.5 36,-0.2 34,-0.2 44,-0.0 -0.457 9.5-130.1 -73.7 126.4 -4.7 -1.0 -20.2 7 35 A Y - 0 0 43 34,-2.4 36,-0.3 -2,-0.3 -1,-0.1 -0.617 35.9-115.4 -72.7 128.0 -3.6 -3.6 -17.6 8 36 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.267 19.9-131.0 -73.0 151.2 -6.1 -3.5 -14.7 9 37 A V - 0 0 70 1,-0.1 7,-0.1 33,-0.0 33,-0.0 -0.780 19.0-178.0-101.9 145.8 -5.3 -2.4 -11.1 10 38 A T S S+ 0 0 111 1,-0.4 -1,-0.1 5,-0.4 6,-0.1 0.823 79.8 41.4-105.2 -59.5 -6.3 -4.4 -8.0 11 39 A V S >> S- 0 0 83 4,-0.2 4,-0.7 2,-0.0 3,-0.5 -0.855 100.2-122.2 -88.6 124.3 -5.1 -2.3 -5.1 12 40 A P T 34 S+ 0 0 103 0, 0.0 4,-0.0 0, 0.0 -1,-0.0 -0.509 80.4 2.3 -88.1 134.3 -6.0 1.3 -6.2 13 41 A F T 34 S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.1 34,-0.1 0.298 109.3 87.0 77.2 -9.3 -3.5 4.2 -6.6 14 42 A L T X4 S+ 0 0 28 -3,-0.5 3,-2.4 1,-0.2 2,-1.5 0.717 73.6 179.8 -68.9 -29.9 -0.8 1.7 -5.7 15 43 A G T 3< - 0 0 0 -4,-0.7 -5,-0.4 1,-0.3 29,-0.3 -0.508 64.5 -47.5 65.4 -91.6 -1.2 1.3 -9.4 16 44 A H T 3> S+ 0 0 4 -2,-1.5 4,-2.6 -3,-0.1 5,-0.3 0.158 100.3 123.6-153.2 13.9 1.5 -1.4 -9.8 17 45 A I H <> S+ 0 0 73 -3,-2.4 4,-0.8 1,-0.2 -2,-0.1 0.656 79.7 46.0 -61.4 -17.5 4.3 0.1 -7.8 18 46 A V H > S+ 0 0 80 2,-0.2 4,-1.6 -4,-0.1 -1,-0.2 0.892 113.1 45.1 -89.2 -49.7 4.5 -3.0 -5.7 19 47 A Q H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 8,-0.3 0.830 118.3 47.3 -60.7 -32.0 4.3 -5.7 -8.4 20 48 A F H < S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 105.6 58.3 -77.1 -39.4 6.9 -3.6 -10.3 21 49 A G H < S+ 0 0 43 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.853 106.1 47.6 -60.5 -39.5 9.2 -3.1 -7.4 22 50 A K H < S- 0 0 172 -4,-1.6 403,-0.2 1,-0.2 -1,-0.2 0.984 134.6 -6.9 -69.3 -60.2 9.8 -6.8 -6.7 23 51 A N X - 0 0 45 -4,-1.1 4,-2.0 1,-0.1 -1,-0.2 -0.804 56.1-177.7-144.5 101.0 10.6 -8.0 -10.2 24 52 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.852 84.2 57.6 -64.5 -37.5 10.2 -5.6 -13.2 25 53 A L H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.978 110.6 39.5 -59.0 -61.0 11.1 -8.3 -15.8 26 54 A E H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 116.4 51.9 -54.6 -49.8 8.4 -10.8 -14.8 27 55 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 -8,-0.3 -1,-0.2 0.948 113.7 41.9 -53.9 -55.1 5.8 -8.1 -14.3 28 56 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.859 114.7 52.0 -63.4 -37.1 6.3 -6.5 -17.7 29 57 A Q H X S+ 0 0 60 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.902 110.3 48.1 -65.1 -42.3 6.6 -9.9 -19.4 30 58 A R H X S+ 0 0 73 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.903 111.2 50.9 -64.6 -42.5 3.3 -11.0 -17.9 31 59 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 6,-0.3 0.876 112.9 46.4 -60.5 -39.1 1.7 -7.8 -19.0 32 60 A K H <>S+ 0 0 42 -4,-2.0 5,-0.9 -5,-0.2 -2,-0.2 0.872 115.7 46.2 -70.5 -38.1 3.0 -8.3 -22.5 33 61 A R H ><5S+ 0 0 157 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.950 115.0 42.5 -72.1 -52.4 1.9 -11.9 -22.5 34 62 A D H 3<5S+ 0 0 84 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.931 113.7 50.5 -62.3 -49.1 -1.7 -11.5 -21.2 35 63 A L T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.385 101.4-135.6 -72.5 5.3 -2.5 -8.4 -23.2 36 64 A K T < 5S+ 0 0 190 -3,-1.2 2,-0.3 1,-0.1 -3,-0.2 0.745 74.5 95.5 46.1 27.2 -1.3 -10.3 -26.3 37 65 A S S S- B 0 47A 19 3,-2.1 3,-0.9 -2,-0.5 -29,-0.2 -0.828 83.6 -28.4-119.8 91.6 1.5 4.0 -11.5 45 73 A G T 3 S- 0 0 35 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 0.820 124.7 -51.0 70.9 32.5 -0.3 6.0 -8.9 46 74 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.2 3,-0.0 2,-0.2 0.090 109.1 128.5 92.9 -22.8 -3.1 6.8 -11.4 47 75 A Q E < -B 44 0A 63 -3,-0.9 -3,-2.1 -34,-0.1 2,-1.3 -0.491 65.0-123.2 -69.7 131.1 -0.5 8.0 -14.0 48 76 A R E -B 43 0A 77 -2,-0.2 299,-1.9 -5,-0.2 2,-0.6 -0.625 30.7-170.6 -79.2 94.0 -1.0 6.4 -17.4 49 77 A V E -Bc 42 347A 1 -7,-2.7 -7,-3.7 -2,-1.3 2,-0.6 -0.781 2.9-163.4 -89.6 120.6 2.3 4.7 -18.1 50 78 A T E -Bc 41 348A 0 297,-2.9 299,-3.2 -2,-0.6 2,-0.4 -0.893 2.3-159.4-113.1 109.0 2.5 3.4 -21.7 51 79 A I E -Bc 40 349A 0 -11,-2.1 -11,-1.4 -2,-0.6 2,-1.0 -0.697 12.3-149.1 -91.1 131.7 5.2 0.9 -22.5 52 80 A V E +B 39 0A 2 297,-2.4 299,-0.4 -2,-0.4 -13,-0.2 -0.800 31.4 161.4 -94.7 92.4 6.4 0.3 -26.1 53 81 A G + 0 0 0 -15,-1.6 -14,-0.2 -2,-1.0 -1,-0.1 0.358 40.6 95.5-100.3 4.2 7.4 -3.4 -25.8 54 82 A D > - 0 0 45 1,-0.1 3,-3.4 -3,-0.1 4,-0.1 -0.858 63.0-152.7 -99.0 107.8 7.4 -4.4 -29.4 55 83 A P G > S+ 0 0 2 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.674 95.1 62.9 -54.1 -19.4 11.0 -4.2 -30.7 56 84 A H G 3 S+ 0 0 91 1,-0.2 3,-0.3 2,-0.1 323,-0.0 0.672 101.1 52.6 -76.4 -18.2 9.6 -3.6 -34.2 57 85 A E G X S+ 0 0 44 -3,-3.4 3,-1.0 1,-0.2 4,-0.4 0.156 74.5 108.4-105.6 18.3 8.0 -0.3 -33.0 58 86 A H T X> + 0 0 9 -3,-0.8 3,-2.1 1,-0.2 4,-1.6 0.885 68.3 63.0 -63.4 -41.9 11.1 1.3 -31.4 59 87 A S H 3> S+ 0 0 69 1,-0.3 4,-1.3 -3,-0.3 -1,-0.2 0.662 91.7 68.7 -63.1 -13.9 11.6 4.0 -34.1 60 88 A R H <4 S+ 0 0 123 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.815 108.8 35.4 -69.5 -30.3 8.3 5.4 -33.0 61 89 A F H <4 S+ 0 0 2 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.808 123.3 40.4 -92.0 -35.9 9.8 6.4 -29.7 62 90 A F H < S+ 0 0 6 -4,-1.6 325,-2.4 1,-0.1 326,-0.3 0.594 107.7 57.9 -95.9 -12.2 13.3 7.4 -30.7 63 91 A S S < S+ 0 0 77 -4,-1.3 -1,-0.1 -5,-0.2 -3,-0.1 0.817 81.0 90.4 -93.1 -33.8 12.8 9.2 -34.0 64 92 A P S S- 0 0 34 0, 0.0 323,-0.2 0, 0.0 2,-0.0 -0.155 77.8-106.7 -65.2 159.3 10.4 12.1 -33.1 65 93 A R >> - 0 0 175 1,-0.1 4,-2.7 322,-0.0 3,-0.5 -0.202 32.7-102.0 -75.8 174.6 11.7 15.6 -32.0 66 94 A N T 34 S+ 0 0 19 1,-0.2 -1,-0.1 2,-0.2 6,-0.1 0.827 118.2 64.5 -68.5 -33.2 11.5 16.9 -28.5 67 95 A E T 34 S+ 0 0 118 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 0.811 114.1 34.3 -60.7 -30.2 8.4 19.1 -29.2 68 96 A I T <4 S+ 0 0 45 -3,-0.5 264,-1.9 1,-0.3 265,-0.9 0.912 132.5 27.7 -86.7 -55.8 6.5 15.9 -29.9 69 97 A L E < S-D 331 0A 11 -4,-2.7 -1,-0.3 262,-0.2 262,-0.2 -0.940 77.3-165.7-112.7 115.9 8.2 13.7 -27.3 70 98 A S E +D 330 0A 0 260,-1.9 260,-2.3 -2,-0.6 4,-0.1 -0.887 19.0 179.3-109.5 119.4 9.6 15.5 -24.3 71 99 A P S >> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-1.7 0.808 70.6 80.3 -79.1 -32.1 12.1 13.9 -21.8 72 100 A R H >> S+ 0 0 52 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.863 87.6 48.4 -43.3 -64.0 12.3 17.0 -19.6 73 101 A E H 34 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.2 256,-0.1 0.600 119.0 41.8 -63.6 -10.7 9.2 16.8 -17.5 74 102 A V H <4 S+ 0 0 6 -3,-1.7 3,-0.3 -4,-0.1 -1,-0.3 0.635 115.8 47.9-104.2 -21.7 9.9 13.1 -16.7 75 103 A Y H X< S+ 0 0 50 -4,-1.8 3,-1.9 -3,-0.8 -2,-0.2 0.233 74.2 113.8-102.1 12.2 13.7 13.6 -16.1 76 104 A T G >< + 0 0 63 -4,-0.6 3,-4.1 1,-0.3 -1,-0.2 0.822 54.4 84.1 -54.1 -24.5 13.4 16.6 -13.9 77 105 A I G 3 S+ 0 0 45 1,-0.3 4,-0.4 -3,-0.3 -1,-0.3 0.753 84.2 59.3 -56.2 -27.4 14.7 14.6 -11.0 78 106 A M G <> S+ 0 0 37 -3,-1.9 4,-2.4 1,-0.2 5,-0.4 0.545 77.9 93.9 -78.4 -7.0 18.2 15.4 -12.2 79 107 A T H <> S+ 0 0 34 -3,-4.1 4,-1.4 1,-0.2 -1,-0.2 0.834 87.6 43.8 -60.6 -37.3 17.7 19.2 -11.9 80 108 A P H 4 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.851 112.4 54.6 -73.8 -32.0 19.2 19.4 -8.4 81 109 A V H 4 S+ 0 0 2 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.896 123.9 23.6 -68.1 -41.9 22.1 17.1 -9.3 82 110 A F H < S- 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.628 113.2-125.9 -98.0 -17.2 23.2 19.1 -12.4 83 111 A G >< - 0 0 5 -4,-1.4 3,-0.8 -5,-0.4 6,-0.2 -0.279 38.5 -43.7 97.2 175.1 21.7 22.4 -11.2 84 112 A E T 3 S+ 0 0 134 1,-0.2 3,-0.1 -4,-0.1 167,-0.1 -0.525 121.8 20.9 -81.3 146.9 19.4 24.9 -12.8 85 113 A G T 3 S+ 0 0 20 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.533 101.8 111.1 75.4 6.6 19.8 26.0 -16.5 86 114 A V S X S- 0 0 1 -3,-0.8 3,-1.2 -7,-0.1 -1,-0.2 -0.929 83.3 -29.1-117.2 138.2 21.8 22.8 -17.1 87 115 A A T 3 S- 0 0 10 -2,-0.4 3,-0.4 1,-0.3 11,-0.1 -0.411 135.0 -1.7 60.7-124.5 20.6 19.8 -19.2 88 116 A Y T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -2,-0.2 7,-0.1 0.901 128.0 66.2 -66.8 -41.0 16.8 19.5 -19.1 89 117 A A S < S+ 0 0 29 -3,-1.2 -1,-0.2 -6,-0.2 -2,-0.2 0.884 97.9 68.9 -44.6 -42.8 16.4 22.5 -16.8 90 118 A A S S- 0 0 0 -3,-0.4 -4,-0.1 1,-0.1 5,-0.0 -0.415 106.6 -90.5 -72.6 154.3 17.8 24.5 -19.7 91 119 A P > - 0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.245 40.5-105.9 -62.2 157.5 15.6 24.8 -22.9 92 120 A Y H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 115.9 53.9 -56.7 -43.8 16.0 22.2 -25.6 93 121 A P H > S+ 0 0 91 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.906 115.5 38.4 -58.3 -44.2 17.9 24.4 -28.0 94 122 A R H > S+ 0 0 71 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.711 111.5 57.6 -85.5 -22.0 20.6 25.3 -25.5 95 123 A M H X S+ 0 0 9 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.891 106.7 51.2 -67.1 -40.9 20.7 21.9 -23.9 96 124 A R H X S+ 0 0 106 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.923 110.0 49.1 -57.7 -45.6 21.6 20.7 -27.4 97 125 A E H X S+ 0 0 27 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.931 111.8 48.8 -58.5 -47.4 24.3 23.4 -27.4 98 126 A Q H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.914 112.1 48.0 -58.5 -45.6 25.5 22.1 -24.0 99 127 A L H X S+ 0 0 50 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.801 106.0 59.0 -68.7 -28.7 25.5 18.5 -25.2 100 128 A N H X S+ 0 0 61 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.877 104.3 50.5 -65.4 -37.7 27.4 19.5 -28.3 101 129 A F H < S+ 0 0 30 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.895 114.0 45.0 -66.0 -39.9 30.2 20.9 -26.2 102 130 A L H >< S+ 0 0 15 -4,-1.6 3,-1.6 1,-0.2 4,-0.4 0.927 113.3 48.5 -69.6 -46.5 30.4 17.7 -24.2 103 131 A A H >< S+ 0 0 39 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.805 105.6 58.8 -65.1 -30.1 30.2 15.5 -27.3 104 132 A E T 3< S+ 0 0 108 -4,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.435 102.0 56.9 -79.4 2.3 32.9 17.5 -29.0 105 133 A E T < S+ 0 0 28 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.469 102.1 54.1-105.8 -8.5 35.1 16.6 -26.0 106 134 A L S < S+ 0 0 17 -3,-0.9 2,-0.2 -4,-0.4 -2,-0.1 -0.139 77.6 142.0-114.8 34.9 34.7 12.8 -26.6 107 135 A T >> - 0 0 45 -3,-0.2 3,-2.0 1,-0.1 4,-1.1 -0.495 67.5-113.0 -76.2 147.2 35.8 12.9 -30.2 108 136 A I T 34 S+ 0 0 79 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.604 117.3 67.8 -56.6 -9.6 37.9 9.9 -31.4 109 137 A A T >4 S+ 0 0 61 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.869 99.5 46.5 -75.4 -39.2 40.7 12.5 -31.7 110 138 A K T X> S+ 0 0 75 -3,-2.0 3,-1.3 1,-0.2 4,-0.5 0.768 98.2 74.7 -69.6 -26.4 40.8 12.9 -27.9 111 139 A F H 3X S+ 0 0 1 -4,-1.1 4,-0.9 1,-0.3 -1,-0.2 0.561 71.9 83.5 -68.2 -10.1 40.8 9.1 -27.6 112 140 A Q H <4 S+ 0 0 95 -3,-0.9 188,-0.3 1,-0.2 -1,-0.3 0.844 98.3 38.7 -63.2 -34.1 44.4 8.9 -28.7 113 141 A N H <> S+ 0 0 132 -3,-1.3 4,-1.3 -4,-0.2 -1,-0.2 0.720 101.9 76.3 -83.8 -24.1 45.6 9.7 -25.1 114 142 A F H X S+ 0 0 14 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.860 83.8 58.3 -64.3 -44.6 42.9 7.6 -23.3 115 143 A V H X S+ 0 0 0 -4,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.929 110.6 41.3 -55.8 -54.2 44.1 4.1 -23.7 116 144 A P H > S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.831 115.1 54.0 -61.2 -31.7 47.5 4.5 -22.1 117 145 A A H X S+ 0 0 21 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.827 109.0 47.0 -73.1 -33.3 45.9 6.7 -19.4 118 146 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 -3,-0.2 -1,-0.2 0.888 110.7 51.7 -74.3 -40.9 43.3 4.0 -18.5 119 147 A Q H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.853 104.5 59.1 -62.1 -36.4 45.9 1.2 -18.3 120 148 A H H X S+ 0 0 89 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.907 109.7 40.5 -60.3 -45.2 48.0 3.3 -16.0 121 149 A E H X S+ 0 0 19 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.745 112.4 54.6 -80.8 -24.7 45.3 3.6 -13.3 122 150 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.914 111.9 44.8 -70.1 -43.0 44.2 -0.0 -13.7 123 151 A R H X S+ 0 0 55 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.777 111.8 53.2 -72.5 -28.0 47.7 -1.2 -13.1 124 152 A K H X S+ 0 0 103 -4,-1.3 4,-1.1 -5,-0.2 -1,-0.2 0.921 111.7 45.2 -66.7 -46.4 48.0 1.3 -10.2 125 153 A F H X>S+ 0 0 17 -4,-2.0 4,-1.6 1,-0.2 5,-0.6 0.842 112.3 51.4 -67.0 -35.8 44.9 -0.1 -8.6 126 154 A M H X5S+ 0 0 6 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.787 108.5 52.5 -71.6 -27.5 46.0 -3.7 -9.2 127 155 A A H <5S+ 0 0 78 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.751 117.1 37.4 -77.8 -24.7 49.3 -2.9 -7.5 128 156 A E H <5S+ 0 0 148 -4,-1.1 -2,-0.2 -3,-0.1 -1,-0.2 0.624 133.2 20.5-103.5 -17.8 47.7 -1.5 -4.4 129 157 A N H <5S+ 0 0 63 -4,-1.6 3,-0.3 -5,-0.1 -3,-0.2 0.660 118.5 55.7-123.7 -33.3 44.7 -3.8 -4.0 130 158 A W S < -F 438 0B 23 -2,-0.3 4,-1.3 300,-0.2 3,-0.4 -0.823 25.3-159.5 -91.0 110.2 34.3 -7.6 -4.2 139 167 A L H > S+ 0 0 1 298,-2.3 4,-2.7 -2,-0.8 5,-0.3 0.855 85.0 55.0 -58.8 -41.8 34.2 -7.1 -7.9 140 168 A L H > S+ 0 0 26 297,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.876 111.4 42.7 -64.2 -40.3 31.4 -4.5 -8.0 141 169 A E H > S+ 0 0 125 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.692 117.0 49.5 -79.1 -18.5 33.0 -2.1 -5.5 142 170 A D H X S+ 0 0 27 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.825 106.4 51.5 -89.5 -36.3 36.4 -2.5 -7.2 143 171 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.836 109.0 54.1 -68.2 -32.1 35.3 -2.0 -10.8 144 172 A G H X S+ 0 0 15 -4,-1.0 4,-2.5 -5,-0.3 5,-0.3 0.912 106.8 50.1 -64.6 -44.2 33.6 1.2 -9.7 145 173 A A H X S+ 0 0 29 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.845 113.2 47.4 -63.1 -34.1 36.9 2.4 -8.1 146 174 A M H X S+ 0 0 6 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.870 110.4 51.5 -74.3 -38.2 38.6 1.6 -11.4 147 175 A I H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.920 113.1 43.4 -66.2 -43.5 35.9 3.4 -13.5 148 176 A I H X S+ 0 0 5 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.878 115.7 50.3 -69.7 -36.4 36.1 6.6 -11.5 149 177 A N H X S+ 0 0 28 -4,-1.5 4,-1.3 -5,-0.3 -2,-0.2 0.950 114.7 40.5 -65.0 -52.2 39.9 6.5 -11.4 150 178 A T H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.841 112.1 56.4 -68.4 -35.0 40.4 6.0 -15.1 151 179 A A H X S+ 0 0 10 -4,-1.9 4,-2.0 -5,-0.3 3,-0.2 0.826 110.2 45.5 -66.6 -32.1 37.7 8.4 -16.1 152 180 A C H X S+ 0 0 3 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.750 107.1 58.6 -79.6 -25.6 39.5 11.1 -14.1 153 181 A Q H < S+ 0 0 35 -4,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.602 113.5 41.2 -76.6 -10.3 42.8 10.1 -15.7 154 182 A C H < S+ 0 0 17 -4,-0.5 -2,-0.2 -3,-0.2 -3,-0.1 0.866 126.1 22.7-101.1 -52.0 41.2 10.8 -19.0 155 183 A L H < S+ 0 0 12 -4,-2.0 74,-1.2 73,-0.1 75,-0.6 0.439 104.9 83.3-105.0 -1.5 39.1 14.0 -18.7 156 184 A F S < S- 0 0 9 -4,-1.1 2,-0.0 -5,-0.2 5,-0.0 -0.890 73.8-128.2-106.7 134.0 40.8 15.7 -15.7 157 185 A G > - 0 0 9 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.307 27.3-104.7 -74.9 160.5 43.9 17.8 -16.0 158 186 A E H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.932 120.4 47.5 -48.1 -58.2 47.1 17.3 -13.9 159 187 A D H > S+ 0 0 42 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.866 111.5 51.5 -54.5 -41.1 46.5 20.3 -11.7 160 188 A L H > S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.835 108.3 51.5 -66.7 -34.1 42.8 19.3 -11.2 161 189 A R H < S+ 0 0 57 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.769 108.3 52.2 -73.7 -26.9 43.9 15.8 -10.1 162 190 A K H < S+ 0 0 162 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.883 118.1 36.7 -72.3 -39.8 46.3 17.3 -7.6 163 191 A R H < S+ 0 0 125 -4,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.546 134.1 24.5 -89.5 -15.6 43.5 19.5 -6.1 164 192 A L < - 0 0 4 -4,-1.2 -1,-0.3 -5,-0.2 2,-0.3 -0.920 69.9-166.5-145.1 131.0 41.0 16.8 -6.6 165 193 A N > - 0 0 67 -2,-0.3 4,-1.8 -3,-0.2 3,-0.4 -0.734 34.3-111.5-105.3 165.6 41.5 13.0 -6.9 166 194 A A H > S+ 0 0 10 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.896 113.1 59.2 -62.2 -43.4 39.0 10.5 -8.0 167 195 A R H > S+ 0 0 163 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.817 111.5 40.8 -60.2 -33.1 38.5 8.8 -4.6 168 196 A H H > S+ 0 0 60 -3,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.813 113.1 55.7 -80.1 -32.8 37.4 12.1 -3.1 169 197 A F H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 3,-0.3 0.882 103.2 53.3 -67.6 -39.6 35.3 12.9 -6.2 170 198 A A H X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.800 106.4 54.3 -64.8 -29.0 33.4 9.7 -6.0 171 199 A Q H X S+ 0 0 106 -4,-0.6 4,-0.8 -5,-0.3 -1,-0.2 0.746 108.9 48.3 -75.0 -25.3 32.6 10.7 -2.4 172 200 A L H X S+ 0 0 4 -4,-1.0 4,-0.8 -3,-0.3 -2,-0.2 0.824 109.7 53.5 -77.8 -35.4 31.2 14.0 -3.8 173 201 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 3,-0.4 0.913 111.5 42.9 -64.8 -46.4 29.2 12.0 -6.4 174 202 A S H X S+ 0 0 69 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.789 110.6 57.6 -70.5 -28.3 27.5 9.8 -3.8 175 203 A K H < S+ 0 0 62 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.753 113.8 41.2 -66.3 -24.5 27.0 12.9 -1.6 176 204 A M H >< S+ 0 0 1 -4,-0.8 3,-0.6 -3,-0.4 -2,-0.2 0.799 112.2 48.7 -98.3 -35.3 25.2 14.3 -4.6 177 205 A E H >< S+ 0 0 55 -4,-2.1 3,-2.3 1,-0.2 -3,-0.1 0.693 82.7 91.1 -82.5 -19.9 23.1 11.5 -6.0 178 206 A S T 3< S+ 0 0 53 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.532 72.9 73.5 -59.4 -4.2 21.6 10.4 -2.6 179 207 A S T < S+ 0 0 14 -3,-0.6 2,-0.5 14,-0.1 -1,-0.3 0.373 76.9 103.2 -88.3 4.6 18.7 12.8 -3.3 180 208 A L < + 0 0 21 -3,-2.3 248,-0.1 13,-0.1 3,-0.1 -0.788 43.6 175.1 -94.8 123.2 17.3 10.3 -5.9 181 209 A I - 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