==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 02-APR-07 2YR2 . COMPND 2 MOLECULE: 146AA LONG HYPOTHETICAL TRANSCRIPTIONAL REGULATOR . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR T.S.KUMAREVEL,T.TANAKA,M.NISHIO,S.YOKOYAMA,RIKEN STRUCTURAL . 283 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 0 2 0 0 1 0 1 2 0 0 0 0 0 0 0 3 1 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 N 0 0 124 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.5 -55.0 -20.0 -41.6 2 6 A E > + 0 0 136 2,-0.1 4,-1.8 3,-0.0 5,-0.1 -0.080 360.0 104.8-123.5 10.1 -55.1 -16.3 -40.7 3 7 A N H > + 0 0 107 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.846 66.2 51.4 -62.7 -45.0 -52.1 -17.7 -38.9 4 8 A R H > S+ 0 0 209 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.948 114.3 44.6 -63.0 -45.6 -49.3 -16.2 -41.0 5 9 A I H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 112.0 55.2 -66.4 -34.5 -50.8 -12.8 -40.7 6 10 A Q H X S+ 0 0 92 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.828 101.3 56.8 -67.6 -28.4 -51.2 -13.4 -37.1 7 11 A I H X S+ 0 0 80 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.941 109.2 45.7 -67.9 -45.1 -47.6 -14.3 -36.6 8 12 A M H X S+ 0 0 87 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.890 114.5 46.4 -68.5 -38.5 -46.6 -10.9 -38.0 9 13 A S H X S+ 0 0 40 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.806 111.7 52.0 -74.8 -25.5 -49.1 -8.9 -35.9 10 14 A T H X S+ 0 0 53 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.887 108.3 51.5 -73.7 -39.0 -48.2 -10.9 -32.8 11 15 A I H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.882 110.1 49.7 -62.1 -38.6 -44.5 -10.0 -33.4 12 16 A A H X S+ 0 0 30 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.905 111.0 49.0 -67.0 -42.8 -45.5 -6.4 -33.7 13 17 A K H X S+ 0 0 130 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.884 111.5 48.7 -63.8 -42.3 -47.5 -6.5 -30.4 14 18 A I H X S+ 0 0 97 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.918 109.9 53.8 -64.3 -43.5 -44.6 -8.2 -28.6 15 19 A Y H X S+ 0 0 127 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 108.4 47.2 -58.8 -47.0 -42.2 -5.5 -30.0 16 20 A R H X S+ 0 0 160 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.940 115.1 45.9 -62.1 -45.9 -44.3 -2.6 -28.8 17 21 A A H X S+ 0 0 61 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.918 113.7 49.5 -62.9 -43.1 -44.7 -4.1 -25.3 18 22 A M H X S+ 0 0 31 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.888 108.2 53.2 -64.0 -38.7 -41.0 -5.0 -25.2 19 23 A S H X S+ 0 0 15 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.902 111.8 46.4 -61.7 -41.8 -39.9 -1.5 -26.2 20 24 A R H X S+ 0 0 201 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.919 115.0 44.6 -67.0 -46.3 -42.0 -0.0 -23.4 21 25 A E H X S+ 0 0 50 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.858 114.4 49.4 -68.2 -36.5 -40.8 -2.4 -20.7 22 26 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.862 107.2 54.7 -70.7 -36.6 -37.1 -2.1 -21.8 23 27 A N H X S+ 0 0 77 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.916 113.4 44.3 -60.7 -41.5 -37.4 1.7 -21.8 24 28 A R H >< S+ 0 0 153 -4,-1.7 3,-1.0 2,-0.2 4,-0.4 0.973 116.7 42.7 -67.2 -56.4 -38.6 1.3 -18.2 25 29 A R H >< S+ 0 0 49 -4,-2.9 3,-1.1 1,-0.2 4,-0.2 0.829 111.0 55.0 -62.9 -34.7 -36.0 -1.2 -17.1 26 30 A L H ><>S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 5,-1.5 0.659 87.7 80.3 -74.1 -13.9 -33.1 0.5 -18.8 27 31 A G G X<5S+ 0 0 32 -3,-1.0 3,-2.1 -4,-0.6 -1,-0.2 0.790 77.0 72.2 -61.1 -26.3 -33.9 3.8 -17.0 28 32 A E G < 5S+ 0 0 164 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.810 104.5 39.4 -57.3 -29.7 -32.1 2.2 -14.0 29 33 A L G < 5S- 0 0 37 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.225 121.8-109.8-103.4 11.4 -28.9 2.9 -16.1 30 34 A N T < 5S+ 0 0 104 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.930 79.1 127.2 59.3 46.4 -30.3 6.2 -17.3 31 35 A L < - 0 0 3 -5,-1.5 -1,-0.2 -8,-0.2 -2,-0.2 -0.992 52.3-145.0-134.9 141.6 -30.7 4.9 -20.8 32 36 A S > - 0 0 37 -2,-0.4 4,-1.8 -3,-0.1 5,-0.1 -0.501 39.5-103.5 -92.0 170.6 -33.7 4.8 -23.2 33 37 A Y H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 124.9 53.2 -63.4 -39.6 -34.1 1.7 -25.4 34 38 A L H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 105.1 53.8 -61.6 -40.7 -32.8 3.8 -28.3 35 39 A D H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 108.8 50.5 -58.4 -43.7 -29.7 4.8 -26.3 36 40 A F H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.940 108.9 50.7 -58.6 -49.8 -29.1 1.1 -25.8 37 41 A L H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.871 107.4 53.4 -58.7 -38.5 -29.5 0.4 -29.5 38 42 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 110.2 48.0 -64.5 -38.1 -27.0 3.1 -30.3 39 43 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.892 110.2 51.7 -67.4 -40.5 -24.5 1.5 -27.9 40 44 A R H X S+ 0 0 97 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.944 112.9 45.7 -61.0 -46.6 -25.1 -1.9 -29.4 41 45 A A H X S+ 0 0 5 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.924 115.4 44.5 -63.3 -46.2 -24.4 -0.5 -32.9 42 46 A T H < S+ 0 0 3 -4,-2.5 50,-0.5 1,-0.2 -1,-0.2 0.717 104.9 62.8 -72.6 -21.5 -21.3 1.4 -31.9 43 47 A S H < S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 102.2 52.4 -67.5 -35.8 -20.0 -1.6 -29.9 44 48 A D H < S- 0 0 126 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 135.5 -58.3 -69.8 -23.5 -20.0 -3.4 -33.3 45 49 A G S < S- 0 0 18 -4,-0.6 -1,-0.3 45,-0.1 45,-0.1 -0.768 72.7 -52.6 154.8 160.5 -17.9 -0.5 -34.7 46 50 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.289 58.6-167.8 -58.2 140.3 -18.0 3.3 -35.2 47 51 A K B -A 90 0A 20 43,-1.8 43,-3.3 4,-0.0 2,-0.2 -0.930 21.2-121.5-132.3 155.0 -21.1 4.5 -37.0 48 52 A T > - 0 0 37 -2,-0.3 4,-1.8 41,-0.2 41,-0.2 -0.554 31.1-117.3 -86.9 160.7 -22.4 7.6 -38.7 49 53 A M H > S+ 0 0 35 39,-0.4 4,-2.3 1,-0.2 5,-0.2 0.848 116.5 58.5 -66.9 -32.6 -25.6 9.2 -37.4 50 54 A A H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 104.6 50.5 -62.0 -43.1 -27.2 8.6 -40.8 51 55 A Y H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.932 110.7 49.1 -58.2 -49.1 -26.5 4.8 -40.4 52 56 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.875 109.2 51.1 -60.4 -42.4 -28.0 4.8 -36.9 53 57 A A H <>S+ 0 0 10 -4,-2.3 5,-2.1 1,-0.2 4,-0.3 0.924 116.4 41.1 -63.5 -43.8 -31.2 6.6 -38.0 54 58 A N H ><5S+ 0 0 100 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.910 112.1 54.4 -70.7 -44.5 -31.8 4.2 -40.8 55 59 A R H 3<5S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 120.3 31.5 -57.0 -45.9 -30.8 1.0 -38.9 56 60 A Y T 3<5S- 0 0 42 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.309 106.1-123.4 -98.9 8.6 -33.3 1.7 -36.1 57 61 A F T < 5 + 0 0 193 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.901 66.7 125.7 52.7 50.6 -35.9 3.5 -38.3 58 62 A V < - 0 0 52 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.832 64.2 -87.1-129.7 168.6 -36.0 6.7 -36.2 59 63 A T > - 0 0 93 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.248 34.5-113.5 -73.3 164.4 -35.5 10.4 -37.2 60 64 A Q H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 119.2 58.6 -64.7 -34.8 -32.2 12.1 -37.3 61 65 A S H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 101.1 54.4 -62.1 -36.9 -33.3 14.2 -34.4 62 66 A A H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.949 111.6 44.6 -61.8 -47.6 -33.9 11.0 -32.3 63 67 A I H X S+ 0 0 0 -4,-1.6 4,-3.5 2,-0.2 5,-0.3 0.918 111.2 52.4 -62.8 -46.5 -30.3 10.0 -33.0 64 68 A T H X S+ 0 0 56 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.921 112.9 45.7 -56.9 -44.4 -28.8 13.4 -32.3 65 69 A A H X S+ 0 0 62 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.913 114.2 48.3 -65.9 -42.2 -30.7 13.5 -28.9 66 70 A S H X S+ 0 0 4 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.945 113.3 46.8 -63.5 -47.1 -29.6 10.0 -28.1 67 71 A V H X S+ 0 0 0 -4,-3.5 4,-3.3 1,-0.2 5,-0.3 0.932 109.5 52.7 -61.7 -47.1 -25.9 10.6 -29.0 68 72 A D H X S+ 0 0 68 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.885 111.6 49.1 -55.3 -38.8 -25.8 13.9 -27.1 69 73 A K H X S+ 0 0 69 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.887 113.9 42.2 -69.8 -41.8 -27.1 12.0 -24.1 70 74 A L H <>S+ 0 0 0 -4,-2.1 5,-3.3 2,-0.2 6,-0.7 0.868 115.9 51.5 -71.2 -37.2 -24.6 9.2 -24.3 71 75 A E H ><5S+ 0 0 82 -4,-3.3 3,-2.0 3,-0.2 -2,-0.2 0.921 106.8 52.9 -63.5 -45.6 -21.9 11.7 -25.1 72 76 A E H 3<5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 111.3 47.1 -58.7 -34.4 -22.8 13.7 -22.0 73 77 A M T 3<5S- 0 0 60 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.300 117.4-116.4 -92.1 8.3 -22.5 10.6 -20.0 74 78 A G T < 5S+ 0 0 25 -3,-2.0 22,-0.3 2,-0.2 21,-0.3 0.746 82.5 118.8 64.3 28.8 -19.2 9.7 -21.6 75 79 A L S - 0 0 59 3,-0.1 3,-2.0 1,-0.1 -3,-0.5 -0.831 67.4-162.3-143.2 99.4 -12.1 12.0 -44.8 85 89 A R T 3 S+ 0 0 126 -3,-0.3 -3,-0.1 -2,-0.3 -2,-0.1 0.589 84.4 74.6 -59.5 -11.2 -12.1 14.3 -41.8 86 90 A R T 3 S+ 0 0 201 -6,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.774 83.1 77.9 -73.7 -26.1 -15.3 15.9 -43.0 87 91 A K S < S- 0 0 108 -3,-2.0 -6,-2.9 -6,-0.2 2,-0.4 -0.702 72.7-148.3 -87.8 133.3 -17.3 12.8 -42.0 88 92 A I E - B 0 80A 63 -2,-0.4 -39,-0.4 -8,-0.2 2,-0.3 -0.846 10.8-165.2-105.2 137.0 -18.2 12.4 -38.3 89 93 A L E - B 0 79A 27 -10,-3.8 -10,-2.6 -2,-0.4 2,-0.6 -0.811 20.4-127.9-115.1 156.2 -18.5 9.0 -36.6 90 94 A I E -AB 47 78A 0 -43,-3.3 -43,-1.8 -2,-0.3 2,-0.4 -0.934 31.6-169.5-104.5 119.9 -20.0 8.0 -33.2 91 95 A E E - B 0 77A 84 -14,-3.4 -14,-2.2 -2,-0.6 2,-0.1 -0.943 18.3-126.8-117.6 131.2 -17.5 5.9 -31.3 92 96 A I E - B 0 76A 21 -50,-0.5 -16,-0.3 -2,-0.4 2,-0.2 -0.429 22.9-139.2 -73.1 146.7 -18.2 3.9 -28.1 93 97 A T > - 0 0 31 -18,-2.5 4,-2.4 -2,-0.1 5,-0.2 -0.550 28.0-104.4 -99.2 168.7 -15.9 4.6 -25.1 94 98 A E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.898 127.1 49.4 -60.6 -37.2 -14.5 1.9 -22.7 95 99 A K H > S+ 0 0 97 -21,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.857 106.1 56.3 -67.9 -35.6 -17.1 3.1 -20.2 96 100 A G H > S+ 0 0 0 -22,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.928 106.3 50.5 -60.9 -43.0 -19.7 2.9 -22.9 97 101 A L H X S+ 0 0 50 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.874 108.9 51.8 -61.1 -39.0 -18.8 -0.7 -23.4 98 102 A E H X S+ 0 0 94 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.886 112.4 44.7 -65.6 -40.2 -19.1 -1.3 -19.6 99 103 A T H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.815 109.4 56.7 -73.3 -31.6 -22.6 0.3 -19.5 100 104 A F H X S+ 0 0 21 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.930 103.5 54.4 -64.4 -43.7 -23.5 -1.7 -22.6 101 105 A N H X S+ 0 0 90 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.926 109.7 46.8 -53.9 -49.3 -22.6 -4.9 -20.7 102 106 A K H X S+ 0 0 105 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.914 110.2 52.7 -61.9 -43.9 -25.0 -3.9 -17.9 103 107 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.870 106.5 54.0 -60.1 -36.7 -27.8 -3.0 -20.3 104 108 A I H X S+ 0 0 48 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.864 106.3 51.6 -66.8 -34.6 -27.4 -6.5 -21.9 105 109 A E H X S+ 0 0 104 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.902 109.8 49.2 -69.7 -36.2 -27.8 -8.2 -18.6 106 110 A I H X S+ 0 0 34 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.927 113.7 47.2 -64.2 -43.8 -31.0 -6.1 -18.0 107 111 A Y H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 110.2 52.3 -63.7 -43.4 -32.1 -7.2 -21.5 108 112 A K H X S+ 0 0 109 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.907 107.8 52.0 -58.4 -45.2 -31.2 -10.9 -20.8 109 113 A K H X S+ 0 0 113 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.865 110.6 46.7 -60.0 -41.7 -33.3 -10.9 -17.6 110 114 A L H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.928 113.3 49.2 -68.0 -44.3 -36.4 -9.6 -19.3 111 115 A A H X S+ 0 0 27 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.885 108.6 52.2 -62.1 -41.5 -36.0 -12.1 -22.2 112 116 A N H < S+ 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.902 113.1 48.1 -62.6 -38.4 -35.5 -15.0 -19.8 113 117 A E H >< S+ 0 0 97 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.986 113.6 42.0 -64.4 -61.3 -38.8 -13.8 -18.1 114 118 A V H 3< S+ 0 0 85 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.724 120.9 42.5 -62.8 -23.3 -41.0 -13.4 -21.2 115 119 A T T >< S+ 0 0 55 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.3 0.278 80.9 114.4-104.1 9.2 -39.7 -16.6 -22.9 116 120 A G T < + 0 0 51 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.732 66.5 62.0 -51.0 -31.0 -39.9 -18.5 -19.6 117 121 A D T 3 S+ 0 0 159 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.640 91.3 86.9 -72.0 -14.8 -42.6 -20.9 -20.8 118 122 A L S < S- 0 0 69 -3,-2.3 2,-0.2 4,-0.1 -3,-0.0 -0.688 74.4-136.0 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0.947 115.4 45.2 -63.5 -49.6 6.8 1.0 -0.6 151 13 B S H X S+ 0 0 47 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.787 112.9 52.4 -67.6 -24.0 7.6 -1.1 2.6 152 14 B T H X S+ 0 0 58 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.875 109.2 50.5 -74.6 -37.5 5.0 1.0 4.5 153 15 B I H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 110.3 49.5 -61.9 -46.2 2.5 0.1 1.7 154 16 B A H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.928 111.2 49.7 -59.5 -45.8 3.5 -3.5 2.1 155 17 B K H X S+ 0 0 119 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 110.1 49.6 -58.9 -47.5 3.0 -3.3 5.9 156 18 B I H X S+ 0 0 95 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.915 110.4 51.5 -60.0 -45.1 -0.5 -1.7 5.5 157 19 B Y H X S+ 0 0 129 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.936 109.4 48.5 -58.8 -49.1 -1.6 -4.4 3.0 158 20 B R H X S+ 0 0 140 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.931 116.8 43.0 -59.1 -43.7 -0.5 -7.3 5.3 159 21 B A H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.880 114.7 49.8 -69.7 -38.0 -2.3 -5.7 8.2 160 22 B M H X S+ 0 0 32 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.873 110.0 51.7 -68.0 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31.7-115.2 -76.7 167.8 -11.8 -17.1 -16.2 191 53 B M H > S+ 0 0 50 39,-0.5 4,-2.4 1,-0.2 5,-0.2 0.861 116.8 57.5 -73.7 -33.6 -10.0 -18.7 -13.3 192 54 B A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 104.3 53.2 -61.8 -39.3 -6.6 -17.9 -14.8 193 55 B Y H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.935 110.6 46.9 -59.3 -48.5 -7.6 -14.2 -14.8 194 56 B L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.916 110.3 49.4 -61.9 -48.7 -8.5 -14.4 -11.1 195 57 B A H <>S+ 0 0 6 -4,-2.4 5,-2.1 1,-0.2 4,-0.4 0.909 117.6 43.4 -59.5 -40.3 -5.3 -16.1 -9.9 196 58 B N H <5S+ 0 0 105 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.894 111.4 51.2 -73.6 -42.6 -3.2 -13.6 -11.9 197 59 B R H <5S+ 0 0 128 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.939 123.1 31.6 -61.7 -43.9 -5.1 -10.5 -10.9 198 60 B Y T <5S- 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.361 106.4-125.5 -97.2 5.7 -4.9 -11.3 -7.2 199 61 B F T 5 + 0 0 194 -4,-0.4 2,-0.3 -3,-0.4 -3,-0.2 0.914 63.3 126.2 52.7 55.1 -1.6 -13.1 -7.4 200 62 B V < - 0 0 52 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.833 62.7 -83.0-131.7 170.9 -2.5 -16.5 -5.8 201 63 B T > - 0 0 91 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.225 35.2-114.0 -72.4 164.7 -2.3 -20.1 -6.8 202 64 B Q H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 118.8 58.4 -65.0 -35.4 -4.7 -21.9 -9.1 203 65 B S H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 101.4 53.4 -61.6 -41.5 -5.6 -24.0 -6.1 204 66 B A H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.948 110.3 46.6 -59.7 -49.0 -6.6 -20.9 -4.0 205 67 B I H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.930 111.0 52.4 -58.3 -48.6 -9.0 -19.7 -6.7 206 68 B T H X S+ 0 0 54 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.938 111.9 45.7 -53.8 -49.8 -10.5 -23.2 -7.1 207 69 B A H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.920 113.8 49.6 -61.0 -43.5 -11.1 -23.4 -3.4 208 70 B S H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.918 113.0 45.6 -62.2 -45.0 -12.6 -19.9 -3.3 209 71 B V H X S+ 0 0 0 -4,-3.4 4,-3.4 2,-0.2 5,-0.2 0.924 110.0 54.6 -65.1 -44.3 -14.9 -20.6 -6.3 210 72 B D H X S+ 0 0 75 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.896 112.1 45.3 -54.9 -40.6 -16.0 -23.9 -4.7 211 73 B K H X S+ 0 0 77 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.839 115.6 43.9 -74.3 -34.6 -16.9 -22.0 -1.6 212 74 B L H <>S+ 0 0 0 -4,-2.1 5,-3.2 2,-0.2 6,-0.8 0.829 113.1 54.3 -76.6 -32.6 -18.7 -19.2 -3.4 213 75 B E H ><5S+ 0 0 77 -4,-3.4 3,-1.9 3,-0.2 -2,-0.2 0.951 108.1 48.4 -63.5 -50.5 -20.4 -21.8 -5.6 214 76 B E H 3<5S+ 0 0 160 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.903 110.8 50.4 -55.1 -46.6 -21.7 -23.7 -2.5 215 77 B M T 3<5S- 0 0 55 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.256 115.3-120.8 -78.6 12.9 -23.0 -20.5 -1.0 216 78 B G T < 5S+ 0 0 34 -3,-1.9 22,-0.4 2,-0.1 21,-0.3 0.776 79.0 121.4 52.4 35.8 -24.7 -19.8 -4.4 217 79 B L S S- 0 0 50 3,-0.1 3,-2.4 1,-0.1 -3,-0.7 -0.795 72.8-173.0-135.3 88.6 -15.3 -21.5 -26.7 227 89 B R T 3 S+ 0 0 111 -2,-0.3 -4,-0.3 1,-0.3 -1,-0.1 0.846 83.5 66.4 -49.7 -39.0 -17.4 -23.9 -24.6 228 90 B R T 3 S+ 0 0 200 -6,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.729 86.6 86.7 -60.8 -20.9 -14.3 -25.6 -23.3 229 91 B K S < S- 0 0 94 -3,-2.4 -6,-3.0 -39,-0.0 2,-0.4 -0.712 72.3-148.5 -84.3 122.2 -13.5 -22.3 -21.5 230 92 B I E - D 0 222B 54 -2,-0.5 -39,-0.5 -8,-0.2 2,-0.3 -0.765 11.2-167.3 -97.0 132.1 -15.1 -21.9 -18.1 231 93 B L E -CD 190 221B 29 -10,-3.2 -10,-2.4 -2,-0.4 2,-0.6 -0.836 16.7-135.2-112.6 151.5 -16.1 -18.5 -16.7 232 94 B I E -CD 189 220B 0 -43,-2.9 -43,-1.7 -2,-0.3 2,-0.4 -0.938 27.8-171.7-107.3 124.9 -17.0 -17.7 -13.1 233 95 B E E - D 0 219B 60 -14,-3.0 -14,-1.6 -2,-0.6 -48,-0.1 -0.967 20.7-123.2-123.7 126.6 -20.0 -15.6 -12.9 234 96 B I E - D 0 218B 24 -2,-0.4 -16,-0.3 -50,-0.4 2,-0.2 -0.314 23.4-141.9 -64.5 150.7 -21.7 -13.8 -10.0 235 97 B T > - 0 0 33 -18,-2.3 4,-2.5 1,-0.1 5,-0.2 -0.631 31.7-103.3-105.6 166.2 -25.3 -14.5 -9.2 236 98 B E H > S+ 0 0 128 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.837 128.2 54.9 -59.3 -28.9 -27.8 -11.8 -8.0 237 99 B K H > S+ 0 0 95 -21,-0.3 4,-2.4 2,-0.2 5,-0.3 0.955 105.9 49.7 -65.3 -53.3 -27.2 -13.4 -4.6 238 100 B G H > S+ 0 0 0 -22,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.905 108.5 52.0 -53.2 -46.8 -23.5 -12.9 -4.9 239 101 B L H X S+ 0 0 65 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.879 108.4 52.9 -59.2 -37.9 -23.9 -9.3 -5.8 240 102 B E H X S+ 0 0 92 -4,-1.5 4,-1.2 -5,-0.2 3,-0.2 0.965 113.7 41.2 -59.6 -54.9 -26.1 -8.8 -2.8 241 103 B T H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.804 109.7 60.6 -64.3 -31.2 -23.4 -10.3 -0.5 242 104 B F H X S+ 0 0 16 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.913 100.6 54.6 -63.0 -42.0 -20.8 -8.4 -2.4 243 105 B N H X S+ 0 0 96 -4,-2.0 4,-1.6 -3,-0.2 -1,-0.2 0.855 106.3 50.4 -60.0 -38.7 -22.5 -5.2 -1.4 244 106 B K H X S+ 0 0 94 -4,-1.2 4,-2.4 1,-0.2 3,-0.2 0.939 108.1 54.2 -64.6 -45.3 -22.3 -6.1 2.3 245 107 B G H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.3 -2,-0.2 0.880 106.1 51.7 -54.4 -40.9 -18.6 -6.9 1.8 246 108 B I H X S+ 0 0 48 -4,-2.0 4,-3.4 2,-0.2 -1,-0.3 0.867 107.9 53.3 -63.7 -37.0 -18.2 -3.4 0.4 247 109 B E H X S+ 0 0 110 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.917 111.2 44.1 -64.3 -44.8 -19.9 -2.0 3.5 248 110 B I H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 116.0 48.1 -63.6 -48.4 -17.5 -3.8 5.8 249 111 B Y H X S+ 0 0 61 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.917 111.4 51.5 -58.5 -44.6 -14.6 -2.7 3.6 250 112 B K H X S+ 0 0 118 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.940 108.7 49.6 -57.7 -51.6 -16.0 0.8 3.6 251 113 B K H X S+ 0 0 130 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.928 112.1 48.3 -54.0 -49.8 -16.2 1.0 7.4 252 114 B L H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.939 110.1 50.9 -58.3 -49.8 -12.7 -0.3 7.9 253 115 B A H X S+ 0 0 33 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.846 106.9 55.0 -58.4 -35.4 -11.2 2.1 5.3 254 116 B N H < S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.896 110.2 47.5 -65.8 -37.8 -12.9 5.0 7.1 255 117 B E H >< S+ 0 0 103 -4,-1.7 3,-2.0 -3,-0.3 4,-0.2 0.993 113.7 43.4 -64.1 -63.7 -11.3 4.0 10.4 256 118 B V H 3< S+ 0 0 84 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.752 119.9 42.2 -55.7 -31.9 -7.7 3.5 9.1 257 119 B T T >< S+ 0 0 60 -4,-1.8 3,-2.9 -5,-0.3 -1,-0.3 0.346 84.5 117.1 -96.4 5.5 -7.8 6.7 7.0 258 120 B G T < + 0 0 48 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.767 66.1 56.2 -40.9 -45.1 -9.5 8.5 9.9 259 121 B D T 3 S+ 0 0 161 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.560 92.7 94.3 -69.9 -7.0 -6.8 11.0 10.6 260 122 B L < - 0 0 71 -3,-2.9 2,-0.1 4,-0.1 -3,-0.1 -0.738 69.0-140.2 -95.3 133.4 -7.0 12.2 7.0 261 123 B S > - 0 0 46 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.419 32.9-103.7 -81.4 161.4 -9.2 15.1 5.8 262 124 B E H > S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.888 126.2 54.4 -51.6 -39.2 -11.2 15.0 2.6 263 125 B D H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.942 110.6 44.2 -59.0 -50.6 -8.4 17.2 1.2 264 126 B E H > S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.864 105.5 61.7 -64.8 -39.2 -5.7 14.8 2.2 265 127 B V H X S+ 0 0 48 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.941 111.3 37.3 -54.3 -52.1 -7.5 11.7 1.0 266 128 B I H X S+ 0 0 91 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.862 114.7 53.7 -71.9 -35.4 -7.6 12.8 -2.6 267 129 B L H X S+ 0 0 104 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.964 116.2 41.8 -60.4 -47.8 -4.1 14.5 -2.6 268 130 B V H X S+ 0 0 63 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.883 114.2 50.0 -64.9 -43.8 -2.8 11.1 -1.3 269 131 B L H X S+ 0 0 91 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.940 108.4 53.2 -62.8 -46.5 -4.9 9.0 -3.7 270 132 B D H X S+ 0 0 94 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.886 113.8 45.2 -55.5 -39.6 -3.8 11.1 -6.6 271 133 B K H >X S+ 0 0 113 -4,-1.5 4,-1.3 -5,-0.2 3,-0.6 0.947 114.2 43.1 -73.5 -47.4 -0.2 10.5 -5.6 272 134 B I H 3X S+ 0 0 77 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.846 106.7 64.8 -70.7 -24.0 -0.3 6.7 -4.8 273 135 B S H 3X S+ 0 0 58 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.868 99.4 52.8 -62.5 -35.7 -2.3 6.3 -8.0 274 136 B K H X S+ 0 0 178 -4,-2.2 4,-1.4 1,-0.2 3,-0.9 0.959 119.2 40.7 -67.2 -52.7 4.2 3.1 -12.9 279 141 B I H 3X S+ 0 0 84 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.839 107.5 64.5 -67.1 -29.9 4.6 -0.2 -11.2 280 142 B E H 3< S+ 0 0 94 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.718 106.3 42.3 -69.4 -17.9 1.6 -1.7 -13.0 281 143 B E H X< S+ 0 0 91 -3,-0.9 3,-0.7 -4,-0.7 -1,-0.2 0.812 112.4 51.3 -95.4 -33.5 3.2 -1.3 -16.4 282 144 B I H 3< S+ 0 0 118 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.935 90.9 77.2 -66.4 -48.3 6.7 -2.5 -15.6 283 145 B S T 3< 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.619 360.0 360.0 -36.7 -28.4 5.6 -5.8 -13.9 284 146 B Q < 0 0 207 -3,-0.7 -1,-0.2 -4,-0.1 -2,-0.1 0.375 360.0 360.0-157.1 360.0 5.0 -7.4 -17.2