==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-AUG-08 2ZQX . COMPND 2 MOLECULE: CYTOCHROME P450 152A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR O.SHOJI,T.FUJISHIRO,S.NAGANO,T.HIROSE,Y.SHIRO,Y.WATANABE . 1233 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 868 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 7.5 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 4 0.3 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 . 37 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 501 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 4 2 1 7 6 1 0 0 4 3 4 0 2 6 0 0 0 0 2 0 1 3 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 0 1 2 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 . 3 3 9 0 3 3 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 . 3 3 0 0 3 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 6 A P 0 0 75 0, 0.0 32,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 143.8 52.7 -79.2 34.5 2 7 A H B -a 33 0A 104 30,-0.2 2,-0.6 32,-0.0 32,-0.2 -0.936 360.0-156.7-128.0 117.4 56.3 -79.7 33.7 3 8 A D - 0 0 2 30,-2.4 32,-0.5 -2,-0.5 5,-0.1 -0.769 12.0-171.9 -85.0 118.4 58.0 -79.7 30.2 4 9 A K + 0 0 170 -2,-0.6 -1,-0.1 30,-0.1 30,-0.1 0.513 36.7 127.4 -92.8 -6.2 61.2 -81.7 30.7 5 10 A S - 0 0 51 1,-0.1 30,-0.4 2,-0.1 3,-0.3 -0.109 50.4-150.5 -49.4 147.7 62.9 -81.1 27.3 6 11 A L S S+ 0 0 171 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.420 91.3 61.3-101.1 -0.4 66.5 -79.8 27.6 7 12 A D > + 0 0 79 1,-0.1 4,-3.5 2,-0.1 5,-0.2 0.070 61.8 120.6-112.8 21.9 66.3 -77.9 24.3 8 13 A N H > S+ 0 0 1 -3,-0.3 4,-3.6 27,-0.3 5,-0.2 0.880 74.4 54.0 -55.0 -42.0 63.5 -75.5 25.3 9 14 A S H > S+ 0 0 42 26,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.923 115.2 41.1 -58.2 -43.6 65.6 -72.4 24.7 10 15 A L H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.888 113.9 52.6 -70.3 -40.0 66.3 -73.7 21.2 11 16 A T H X S+ 0 0 23 -4,-3.5 4,-2.2 1,-0.2 5,-0.2 0.902 106.2 55.0 -61.8 -39.0 62.7 -74.8 20.8 12 17 A L H X S+ 0 0 13 -4,-3.6 4,-2.5 -5,-0.2 -1,-0.2 0.924 105.0 52.9 -59.0 -44.8 61.7 -71.2 21.8 13 18 A L H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.0 44.7 -59.0 -37.4 63.9 -69.9 18.9 14 19 A K H < S+ 0 0 130 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.798 119.2 39.3 -79.8 -29.4 62.1 -72.2 16.5 15 20 A E H >< S+ 0 0 43 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.731 78.1 173.2 -94.4 -23.1 58.6 -71.6 17.6 16 21 A G G >< S+ 0 0 1 -4,-2.5 3,-1.7 377,-0.3 4,-0.4 -0.292 73.7 9.6 56.2-126.1 58.7 -67.8 18.3 17 22 A Y G 3 S+ 0 0 3 375,-1.6 4,-0.4 1,-0.3 -1,-0.3 0.594 132.5 56.1 -62.1 -10.7 55.3 -66.4 19.2 18 23 A L G <> S+ 0 0 47 -3,-2.1 4,-2.8 374,-0.5 -1,-0.3 0.468 77.1 92.7-101.9 -3.0 53.9 -70.0 19.4 19 24 A F H <> S+ 0 0 0 -3,-1.7 4,-0.7 -7,-0.2 -2,-0.1 0.960 97.4 31.9 -52.5 -59.6 56.3 -71.5 22.0 20 25 A I H >> S+ 0 0 2 -4,-0.4 4,-2.9 2,-0.2 3,-1.0 0.941 120.0 51.2 -65.0 -51.3 54.0 -70.7 24.9 21 26 A K H 3> S+ 0 0 34 -4,-0.4 4,-1.5 1,-0.3 5,-0.3 0.918 105.4 56.2 -53.4 -50.3 50.7 -71.1 23.1 22 27 A N H 3X S+ 0 0 62 -4,-2.8 4,-0.8 1,-0.2 -1,-0.3 0.757 116.9 37.8 -54.7 -27.0 51.7 -74.5 21.7 23 28 A R H S+ 0 0 18 -4,-2.9 5,-1.4 1,-0.2 -2,-0.2 0.735 116.8 43.8 -67.9 -17.1 49.5 -73.9 27.3 25 30 A E H <5S+ 0 0 106 -4,-1.5 3,-0.4 -5,-0.3 -2,-0.2 0.810 111.1 51.1 -92.2 -37.3 47.3 -75.9 24.7 26 31 A R H <5S+ 0 0 136 -4,-0.8 -2,-0.2 -5,-0.3 -3,-0.2 0.831 119.8 36.5 -69.3 -32.7 49.2 -79.2 24.9 27 32 A Y T <5S- 0 0 71 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.348 102.9-131.4-100.3 3.2 49.0 -79.2 28.7 28 33 A N T 5 + 0 0 155 -3,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.888 69.3 115.3 46.9 47.6 45.5 -77.7 28.8 29 34 A S S + B 0 39A 0 3,-2.7 3,-2.5 -2,-0.8 272,-0.1 -0.996 54.1 0.2-139.6 144.1 64.6 -71.7 29.6 37 42 A L T 3 S- 0 0 68 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.833 130.7 -54.2 48.9 36.8 67.3 -69.1 28.9 38 43 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.478 121.6 80.2 80.3 4.4 69.4 -70.8 31.5 39 44 A K E < S-B 36 0A 126 -3,-2.5 -3,-2.7 -5,-0.1 2,-0.5 -0.864 86.8 -87.6-139.5 172.5 66.9 -70.7 34.3 40 45 A N E -B 35 0A 104 -2,-0.3 268,-2.3 -5,-0.2 2,-0.3 -0.706 53.2-171.2 -80.7 123.5 63.8 -72.3 35.9 41 46 A F E -Bc 34 308A 6 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.5 -0.879 27.6-159.1-122.7 150.3 60.7 -70.7 34.3 42 47 A I E -Bc 33 309A 7 266,-1.8 268,-1.6 -2,-0.3 2,-0.4 -0.995 20.6-159.3-122.2 117.0 57.0 -70.7 34.7 43 48 A C E +Bc 32 310A 0 -11,-2.8 -11,-1.9 -2,-0.5 2,-0.3 -0.815 15.3 177.2 -98.9 140.2 55.3 -69.6 31.5 44 49 A M E -Bc 31 311A 0 266,-2.7 268,-2.7 -2,-0.4 2,-0.3 -0.990 12.6-171.9-144.8 154.9 51.7 -68.3 31.7 45 50 A T E + c 0 312A 9 -15,-2.2 4,-0.3 -2,-0.3 3,-0.1 -0.921 37.7 65.8-140.5 162.6 49.0 -66.9 29.5 46 51 A G S > S- 0 0 1 266,-0.5 4,-1.7 -2,-0.3 270,-0.1 -0.218 81.7 -82.5 107.9 160.8 45.6 -65.2 29.9 47 52 A A H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.855 125.6 51.0 -68.9 -38.5 44.2 -62.1 31.3 48 53 A E H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 110.1 49.1 -67.3 -40.8 44.2 -63.4 34.9 49 54 A A H > S+ 0 0 1 -4,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.906 108.8 56.1 -64.0 -36.5 47.8 -64.5 34.7 50 55 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.893 103.5 52.4 -60.7 -42.4 48.4 -61.0 33.4 51 56 A K H < S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.9 45.1 -60.2 -42.0 46.8 -59.4 36.5 52 57 A V H >< S+ 0 0 10 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.913 110.0 54.5 -67.4 -43.5 49.2 -61.5 38.6 53 58 A F H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.871 109.2 48.6 -58.9 -38.1 52.2 -60.7 36.4 54 59 A Y T 3< S+ 0 0 30 -4,-2.2 2,-1.0 -5,-0.2 -1,-0.3 0.256 80.8 109.3 -88.5 11.6 51.5 -57.0 36.9 55 60 A D X> - 0 0 54 -3,-1.7 4,-1.7 1,-0.1 3,-1.6 -0.804 56.8-161.0 -86.9 106.5 51.2 -57.2 40.6 56 61 A T T 34 S+ 0 0 69 -2,-1.0 -1,-0.1 1,-0.3 28,-0.1 0.561 82.4 66.2 -69.4 -8.5 54.4 -55.5 41.7 57 62 A D T 34 S+ 0 0 105 1,-0.1 -1,-0.3 236,-0.0 237,-0.2 0.534 115.4 31.0 -87.6 -4.1 54.5 -56.9 45.3 58 63 A R T <4 S+ 0 0 61 -3,-1.6 235,-3.1 1,-0.2 2,-0.4 0.566 119.9 52.9-120.5 -24.6 55.0 -60.3 43.7 59 64 A F E < +D 292 0A 5 -4,-1.7 2,-0.3 233,-0.2 -1,-0.2 -0.950 52.2 177.5-126.6 139.2 56.9 -59.4 40.6 60 65 A Q E -D 291 0A 50 231,-2.1 231,-3.2 -2,-0.4 23,-0.1 -0.931 22.8-149.4-128.7 153.4 60.1 -57.5 39.8 61 66 A R > + 0 0 33 21,-0.3 3,-2.1 -2,-0.3 4,-0.5 0.639 60.9 115.6 -96.1 -16.9 61.8 -56.9 36.5 62 67 A Q T 3 S- 0 0 101 1,-0.3 -2,-0.1 2,-0.1 20,-0.1 -0.367 93.9 -2.2 -60.8 122.3 65.4 -56.6 37.9 63 68 A N T 3 S+ 0 0 108 -2,-0.2 -1,-0.3 2,-0.1 227,-0.1 0.696 100.9 122.4 68.6 23.7 67.5 -59.4 36.6 64 69 A A < + 0 0 11 -3,-2.1 226,-0.2 225,-0.1 -2,-0.1 0.948 62.7 39.1 -80.4 -54.6 64.6 -60.9 34.7 65 70 A L S S- 0 0 53 -4,-0.5 -2,-0.1 224,-0.2 5,-0.1 -0.737 94.2 -88.8-104.0 152.6 65.7 -61.0 31.1 66 71 A P >> - 0 0 39 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.070 31.4-121.3 -52.7 149.0 69.1 -62.0 29.6 67 72 A K H 3> S+ 0 0 109 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.782 108.0 76.4 -64.2 -25.9 71.6 -59.2 29.1 68 73 A R H 34 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.765 95.0 51.5 -57.8 -22.5 71.6 -60.1 25.4 69 74 A V H X>>S+ 0 0 17 -3,-1.7 5,-1.2 2,-0.2 4,-1.1 0.874 109.7 46.4 -80.7 -39.6 68.3 -58.2 25.3 70 75 A Q H 3<>S+ 0 0 29 -4,-0.8 5,-2.5 1,-0.2 -2,-0.2 0.932 109.4 55.1 -66.6 -44.1 69.7 -55.1 27.0 71 76 A K T 3<5S+ 0 0 92 -4,-3.1 -1,-0.2 4,-0.2 111,-0.2 0.438 124.8 22.8 -70.7 2.3 72.7 -55.0 24.8 72 77 A S T <45S+ 0 0 0 -3,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.542 131.6 17.1-128.0 -72.8 70.4 -55.0 21.7 73 78 A L T <5S+ 0 0 22 -4,-1.1 -3,-0.2 -5,-0.2 92,-0.1 0.985 130.6 20.2 -72.6 -62.1 66.9 -53.8 22.1 74 79 A F T < - 0 0 0 -5,-2.5 3,-1.1 -6,-0.4 -4,-0.2 -0.037 47.7 -58.3 102.7 148.5 70.1 -50.7 26.4 76 81 A V T 3 S- 0 0 69 1,-0.2 154,-0.1 -6,-0.1 -9,-0.0 -0.428 116.1 -9.9 -67.5 130.4 72.0 -51.8 29.6 77 82 A N T 3 S+ 0 0 107 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.771 94.0 150.9 54.3 33.2 70.2 -50.9 32.9 78 83 A A X - 0 0 2 -3,-1.1 3,-1.4 152,-0.1 4,-0.2 -0.052 66.7 -75.2 -79.3-169.8 67.5 -48.8 31.2 79 84 A I G > S+ 0 0 14 1,-0.3 3,-1.6 2,-0.2 12,-0.1 0.772 122.3 72.5 -62.1 -27.5 64.0 -48.3 32.6 80 85 A Q G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -6,-0.1 276,-0.0 0.765 102.1 44.1 -60.0 -25.1 62.8 -51.7 31.4 81 86 A G G < S+ 0 0 25 -3,-1.4 -1,-0.3 -19,-0.1 -2,-0.2 0.385 94.8 105.6-101.8 5.4 64.9 -53.3 34.2 82 87 A M < - 0 0 27 -3,-1.6 -21,-0.3 -4,-0.2 2,-0.3 -0.346 45.0-170.5 -85.1 163.4 63.9 -51.0 37.0 83 88 A D > + 0 0 45 -22,-0.1 4,-0.8 -23,-0.1 3,-0.4 -0.971 42.1 8.8-147.4 160.3 61.6 -51.4 40.0 84 89 A G H > S- 0 0 48 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.191 113.7 -22.4 70.9-159.1 60.0 -49.4 42.8 85 90 A S H > S+ 0 0 72 1,-0.2 4,-3.9 2,-0.2 -1,-0.2 0.863 135.0 58.4 -56.2 -40.5 60.0 -45.6 43.3 86 91 A A H > S+ 0 0 37 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.914 109.7 44.6 -57.8 -42.3 63.1 -45.3 41.1 87 92 A H H X S+ 0 0 6 -4,-0.8 4,-2.9 -3,-0.4 -2,-0.2 0.970 115.1 47.0 -65.0 -52.5 61.2 -47.0 38.2 88 93 A I H X S+ 0 0 73 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.928 109.7 55.4 -54.2 -47.7 58.0 -45.0 38.8 89 94 A H H X S+ 0 0 64 -4,-3.9 4,-0.7 1,-0.2 3,-0.3 0.941 115.1 36.8 -52.1 -52.9 60.1 -41.8 39.0 90 95 A R H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.809 109.6 63.9 -71.9 -28.6 61.7 -42.3 35.6 91 96 A K H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.874 97.3 57.7 -62.5 -33.8 58.4 -43.8 34.2 92 97 A M H X S+ 0 0 80 -4,-2.1 4,-2.5 -3,-0.3 -1,-0.2 0.826 99.6 58.7 -66.7 -29.3 56.8 -40.4 34.8 93 98 A L H X S+ 0 0 10 -4,-0.7 4,-0.7 -3,-0.5 -1,-0.2 0.935 108.1 44.8 -64.6 -44.0 59.4 -38.8 32.5 94 99 A F H >< S+ 0 0 7 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.939 113.3 50.7 -65.4 -44.1 58.4 -41.0 29.6 95 100 A L H >< S+ 0 0 27 -4,-2.2 3,-2.6 1,-0.3 -2,-0.2 0.910 101.2 60.3 -60.9 -44.5 54.7 -40.4 30.3 96 101 A S H 3< S+ 0 0 64 -4,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.756 107.8 48.5 -57.3 -20.6 55.0 -36.6 30.4 97 102 A L T << S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.366 109.3 52.5 -99.2 4.7 56.3 -36.9 26.8 98 103 A M S < S+ 0 0 18 -3,-2.6 264,-0.2 -4,-0.1 265,-0.2 0.011 75.1 128.3-131.3 29.9 53.5 -39.2 25.5 99 104 A T S >> S- 0 0 55 -3,-0.4 4,-2.4 -4,-0.1 3,-1.0 -0.303 79.0 -85.1 -80.0 168.7 50.3 -37.4 26.5 100 105 A P H 3> S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.785 126.9 56.8 -43.7 -39.2 47.5 -36.6 24.0 101 106 A P H 3> S+ 0 0 87 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.920 111.1 42.5 -62.7 -43.3 49.1 -33.4 22.8 102 107 A H H <> S+ 0 0 38 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.906 112.9 52.8 -67.8 -43.2 52.3 -35.2 21.8 103 108 A Q H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 112.6 47.3 -56.4 -42.7 50.3 -38.0 20.3 104 109 A K H X S+ 0 0 100 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.922 110.0 50.7 -65.0 -47.9 48.5 -35.3 18.3 105 110 A R H X S+ 0 0 105 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.939 111.9 47.2 -57.8 -49.6 51.6 -33.5 17.2 106 111 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.883 109.7 51.5 -62.9 -41.0 53.3 -36.7 15.9 107 112 A A H X S+ 0 0 9 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.860 112.0 48.4 -65.2 -34.3 50.3 -38.0 14.0 108 113 A E H X S+ 0 0 111 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.839 110.7 49.5 -73.2 -36.0 50.0 -34.5 12.3 109 114 A L H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.937 112.8 48.4 -66.7 -43.2 53.7 -34.5 11.4 110 115 A M H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.905 108.6 55.0 -61.0 -42.1 53.3 -38.0 10.0 111 116 A T H X S+ 0 0 49 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.909 108.0 46.6 -60.0 -43.2 50.2 -36.8 8.1 112 117 A E H X S+ 0 0 112 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.845 112.7 51.5 -70.4 -29.6 52.1 -34.0 6.4 113 118 A E H X S+ 0 0 52 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.915 107.6 51.1 -71.0 -43.0 55.0 -36.4 5.5 114 119 A W H X S+ 0 0 6 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.934 112.2 47.4 -59.0 -46.2 52.6 -39.0 4.0 115 120 A K H >X S+ 0 0 107 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.900 110.6 51.0 -62.7 -42.7 51.1 -36.4 1.8 116 121 A A H 3X S+ 0 0 67 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.812 103.8 60.4 -65.6 -30.2 54.4 -34.9 0.7 117 122 A A H 3X S+ 0 0 2 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.717 85.9 77.9 -71.0 -20.3 55.6 -38.4 -0.2 118 123 A V H X S+ 0 0 122 -4,-0.6 3,-1.1 1,-0.2 4,-0.7 0.950 111.9 51.7 -72.2 -47.6 57.6 -38.9 -5.0 121 126 A W H >< S+ 0 0 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A F H <> S+ 0 0 6 -3,-0.6 4,-3.2 -4,-0.5 -1,-0.2 0.903 108.8 55.5 -68.8 -40.7 52.3 -52.1 12.5 246 251 A L H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.859 110.9 45.8 -58.8 -36.3 51.9 -49.7 9.6 247 252 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.902 111.9 50.4 -74.3 -41.4 52.8 -52.6 7.3 248 253 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.913 109.6 52.0 -62.9 -41.0 50.5 -55.0 9.1 249 254 A S H X S+ 0 0 5 -4,-3.2 4,-1.9 2,-0.2 3,-0.2 0.940 111.0 45.9 -59.3 -50.1 47.7 -52.5 8.8 250 255 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.885 112.0 53.2 -60.8 -37.7 48.2 -52.1 5.0 251 256 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.831 106.4 52.6 -66.9 -31.5 48.4 -55.8 4.8 252 257 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.2 -1,-0.2 0.877 106.8 52.6 -70.8 -38.1 45.1 -56.2 6.6 253 258 A L H < S+ 0 0 4 -4,-1.9 7,-0.3 1,-0.2 -2,-0.2 0.871 114.9 42.0 -63.6 -39.2 43.4 -53.8 4.2 254 259 A H H < S+ 0 0 81 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.857 117.6 45.2 -76.3 -39.0 44.7 -55.9 1.3 255 260 A E 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51.3 -61.5 25.0 314 319 A Y H > S+ 0 0 25 -28,-1.5 4,-0.7 -29,-0.3 -1,-0.1 0.932 115.1 47.6 -54.3 -48.3 50.5 -63.0 21.6 315 320 A G H >4 S+ 0 0 5 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.885 109.4 50.9 -61.5 -44.3 48.5 -65.8 23.2 316 321 A T H >< S+ 0 0 0 -4,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.885 107.0 55.4 -62.6 -38.7 46.5 -63.7 25.5 317 322 A N H 3< S+ 0 0 6 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.693 112.7 43.3 -68.5 -17.1 45.6 -61.4 22.6 318 323 A H T << S+ 0 0 4 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 -0.121 81.9 137.1-116.8 33.7 44.2 -64.6 20.9 319 324 A D X> - 0 0 13 -3,-1.4 4,-2.3 24,-0.2 3,-2.2 -0.724 48.7-149.2 -85.7 117.2 42.4 -66.1 23.9 320 325 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.704 95.1 69.3 -59.2 -16.1 39.0 -67.5 23.0 321 326 A R T 34 S+ 0 0 144 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.761 116.1 22.8 -71.6 -23.0 37.9 -66.6 26.5 322 327 A L T <4 S+ 0 0 45 -3,-2.2 2,-0.5 1,-0.2 -1,-0.2 0.607 124.1 51.3-115.4 -22.3 38.1 -62.9 25.6 323 328 A W S < S- 0 0 1 -4,-2.3 -1,-0.2 20,-0.0 4,-0.1 -0.917 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-31.1 416 9 B K + 0 0 156 -2,-0.6 -1,-0.1 30,-0.1 30,-0.1 0.499 38.7 128.2 -94.2 -5.1 46.3 -58.1 -31.5 417 10 B S - 0 0 53 1,-0.1 30,-0.4 2,-0.1 3,-0.2 -0.122 47.1-155.9 -50.8 148.8 47.7 -56.8 -28.2 418 11 B L S S+ 0 0 169 1,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.421 89.3 58.7-105.8 -4.1 50.3 -54.1 -28.5 419 12 B D > + 0 0 73 1,-0.1 4,-2.5 2,-0.1 3,-0.4 0.041 64.4 123.7-112.8 22.4 52.0 -54.9 -25.2 420 13 B N H > S+ 0 0 1 27,-0.2 4,-2.5 1,-0.2 5,-0.2 0.875 70.3 56.7 -53.0 -43.7 52.9 -58.5 -26.0 421 14 B S H > S+ 0 0 43 26,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.917 111.0 45.1 -56.7 -41.8 56.6 -58.0 -25.3 422 15 B L H >> S+ 0 0 108 -3,-0.4 4,-1.6 1,-0.2 3,-0.8 0.957 110.8 51.2 -66.9 -48.9 55.7 -56.8 -21.8 423 16 B T H 3X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.3 5,-0.3 0.849 104.8 60.1 -57.4 -31.1 53.2 -59.6 -21.2 424 17 B L H 3X S+ 0 0 13 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.3 0.899 103.1 51.2 -62.3 -39.0 56.1 -61.9 -22.3 425 18 B L H << S+ 0 0 77 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.839 114.8 43.0 -66.9 -32.9 58.1 -60.6 -19.4 426 19 B K H < S+ 0 0 126 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.737 121.9 36.1 -87.9 -21.0 55.3 -61.2 -17.0 427 20 B E H >< S+ 0 0 49 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.737 80.0 169.9-101.1 -28.3 54.2 -64.7 -18.2 428 21 B G G >< S+ 0 0 1 -4,-2.3 3,-2.1 -5,-0.3 4,-0.4 -0.302 71.1 14.5 58.7-124.5 57.6 -66.2 -19.1 429 22 B Y G 3 S+ 0 0 4 375,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.549 131.4 54.1 -60.4 -7.3 57.5 -69.9 -19.9 430 23 B L G <> S+ 0 0 43 -3,-1.6 4,-3.1 374,-0.4 5,-0.3 0.434 80.1 93.2-107.4 -0.4 53.7 -69.6 -20.1 431 24 B F H <> S+ 0 0 0 -3,-2.1 4,-1.2 -7,-0.2 -2,-0.1 0.970 96.2 30.8 -55.8 -60.6 53.6 -66.8 -22.7 432 25 B I H > S+ 0 0 2 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.927 121.4 52.8 -64.5 -46.0 53.3 -69.0 -25.8 433 26 B K H > S+ 0 0 23 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.898 104.5 53.6 -58.8 -46.5 51.5 -71.8 -24.0 434 27 B N H X S+ 0 0 56 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.879 114.4 44.2 -58.0 -36.6 48.7 -69.6 -22.6 435 28 B R H X S+ 0 0 28 -4,-1.2 4,-2.3 -5,-0.3 -2,-0.2 0.836 109.1 51.6 -80.5 -34.6 48.1 -68.4 -26.1 436 29 B T H X>S+ 0 0 13 -4,-2.4 5,-1.5 2,-0.2 4,-0.9 0.950 114.2 47.0 -66.4 -43.1 48.2 -71.7 -28.0 437 30 B E H ><5S+ 0 0 103 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.927 109.8 54.1 -60.8 -44.7 45.7 -73.0 -25.5 438 31 B R H 3<5S+ 0 0 180 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.909 118.8 32.9 -53.6 -49.5 43.6 -69.8 -25.8 439 32 B Y H 3<5S- 0 0 61 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.378 99.4-131.7 -91.3 1.5 43.3 -70.2 -29.6 440 33 B N T <<5S+ 0 0 148 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.915 70.1 119.2 44.6 48.6 43.3 -74.0 -29.7 441 34 B S S + K 0 451E 0 3,-3.0 3,-1.8 -2,-0.7 -2,-0.1 -0.997 57.7 3.5-140.8 142.1 56.8 -59.4 -30.2 449 42 B L T 3 S- 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.882 131.1 -56.8 50.5 41.4 60.3 -57.9 -29.6 450 43 B G T 3 S+ 0 0 47 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.682 121.6 93.1 66.6 19.3 59.5 -55.2 -32.1 451 44 B K E < S-K 448 0E 80 -3,-1.8 -3,-3.0 -5,-0.1 2,-0.5 -0.994 84.2-100.1-146.4 150.8 58.9 -57.8 -34.9 452 45 B N E -K 447 0E 95 -2,-0.3 268,-1.1 -5,-0.2 2,-0.3 -0.553 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4,-0.8 -5,-0.3 -2,-0.2 0.866 116.2 39.8 -51.6 -43.3 13.5 3.1 -19.6 1013 194 C I H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.840 106.5 62.7 -80.1 -33.4 16.5 2.7 -21.9 1014 195 C E H X S+ 0 0 28 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.883 99.8 54.9 -59.0 -40.3 14.9 4.1 -25.1 1015 196 C V H X S+ 0 0 70 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.930 107.7 51.1 -58.2 -44.4 14.3 7.5 -23.4 1016 197 C M H X S+ 0 0 20 -4,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.884 108.4 51.0 -59.8 -42.3 18.1 7.5 -22.7 1017 198 C I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.924 113.8 44.0 -62.2 -46.0 18.9 6.8 -26.3 1018 199 C E H X S+ 0 0 96 -4,-2.5 4,-1.0 1,-0.2 6,-0.2 0.870 113.9 49.6 -68.0 -38.5 16.6 9.6 -27.6 1019 200 C D H <>S+ 0 0 62 -4,-2.8 5,-1.5 -5,-0.2 6,-1.3 0.786 111.8 51.4 -71.0 -25.8 18.0 12.0 -24.9 1020 201 C A H ><5S+ 0 0 2 -4,-1.7 3,-2.4 -5,-0.2 -2,-0.2 0.955 106.7 50.7 -73.1 -51.9 21.5 11.0 -26.0 1021 202 C R H 3<5S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.717 111.0 51.0 -59.1 -21.4 20.9 11.6 -29.7 1022 203 C A T 3<5S- 0 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