==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 24-FEB-04 1SGM . COMPND 2 MOLECULE: PUTATIVE HTH-TYPE TRANSCRIPTIONAL REGULATOR YXAF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.SEETHARAMAN,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 77.7 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 . 0 0.0 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 . 0 0.0 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 . 9 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 4 0 0 4 2 0 0 0 0 1 1 0 1 1 0 0 0 0 0 1 1 3 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 118 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.2 -32.4 -6.9 49.2 2 6 A D > + 0 0 97 2,-0.1 4,-1.2 3,-0.1 32,-0.0 0.560 360.0 70.3-115.8 -21.7 -31.8 -10.5 48.2 3 7 A S H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.832 89.1 60.5 -70.1 -35.0 -33.3 -10.6 44.7 4 8 A R H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 104.7 51.3 -58.9 -44.6 -30.7 -8.5 43.0 5 9 A E H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.888 106.4 53.4 -59.0 -43.7 -28.0 -11.1 44.0 6 10 A K H X S+ 0 0 86 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.882 113.5 43.2 -61.6 -38.0 -30.0 -14.0 42.5 7 11 A I H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.933 114.7 47.9 -73.3 -46.4 -30.4 -12.2 39.2 8 12 A L H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.883 114.2 47.7 -61.9 -39.2 -26.8 -11.0 39.0 9 13 A H H X S+ 0 0 98 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.910 114.9 44.7 -70.2 -41.3 -25.5 -14.5 39.9 10 14 A T H X S+ 0 0 7 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.911 114.3 49.3 -68.9 -40.7 -27.7 -16.2 37.4 11 15 A A H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.909 112.4 48.1 -62.7 -44.6 -26.9 -13.6 34.7 12 16 A S H X S+ 0 0 4 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.912 113.2 48.0 -62.2 -45.4 -23.2 -14.0 35.3 13 17 A R H X S+ 0 0 97 -4,-2.2 4,-1.6 2,-0.2 86,-0.3 0.904 116.5 42.0 -63.3 -44.8 -23.4 -17.8 35.3 14 18 A L H X>S+ 0 0 2 -4,-2.6 4,-3.6 2,-0.2 5,-0.9 0.909 112.2 51.6 -72.3 -44.5 -25.4 -17.9 32.0 15 19 A S H X5S+ 0 0 13 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.886 112.3 49.7 -59.4 -37.5 -23.5 -15.3 30.1 16 20 A Q H <5S+ 0 0 28 -4,-1.7 84,-1.4 -5,-0.3 -1,-0.2 0.882 120.8 33.1 -68.0 -39.7 -20.3 -17.2 31.0 17 21 A L H <5S+ 0 0 55 -4,-1.6 279,-0.2 82,-0.2 -2,-0.2 0.860 133.9 23.8 -87.4 -39.3 -21.7 -20.5 29.9 18 22 A Q H <5S- 0 0 47 -4,-3.6 4,-0.4 1,-0.2 -3,-0.2 0.682 101.7-126.4-102.6 -21.7 -23.9 -19.6 26.9 19 23 A G X< - 0 0 0 -4,-1.0 4,-0.5 -5,-0.9 -1,-0.2 -0.373 35.9 -66.0 99.8 176.1 -22.5 -16.3 25.8 20 24 A Y T >4 S+ 0 0 26 2,-0.1 3,-0.5 1,-0.1 -1,-0.1 0.949 125.4 42.4 -70.7 -54.0 -24.3 -12.9 25.3 21 25 A H T 34 S+ 0 0 61 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.882 111.7 51.8 -65.8 -40.2 -26.6 -13.6 22.4 22 26 A A T 34 S+ 0 0 32 -4,-0.4 2,-0.8 -7,-0.1 -1,-0.2 0.666 91.9 89.5 -71.7 -15.4 -27.9 -17.0 23.5 23 27 A T << - 0 0 2 -3,-0.5 2,-0.2 -4,-0.5 -1,-0.1 -0.737 62.8-165.6 -90.4 107.4 -28.8 -15.8 27.0 24 28 A G > - 0 0 29 -2,-0.8 4,-1.3 1,-0.1 3,-0.3 -0.600 27.8-125.7 -89.5 151.7 -32.4 -14.4 27.1 25 29 A L H > S+ 0 0 56 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.714 109.3 60.3 -67.5 -21.1 -33.7 -12.3 30.0 26 30 A N H > S+ 0 0 143 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.877 102.5 50.3 -74.1 -37.9 -36.6 -14.7 30.4 27 31 A Q H > S+ 0 0 50 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.852 108.5 54.8 -66.6 -33.6 -34.2 -17.6 31.1 28 32 A I H X S+ 0 0 8 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.907 111.4 41.9 -66.7 -44.1 -32.5 -15.5 33.7 29 33 A V H X S+ 0 0 49 -4,-1.6 4,-1.1 1,-0.2 5,-0.3 0.960 115.2 52.6 -65.9 -48.6 -35.7 -14.7 35.6 30 34 A K H < S+ 0 0 176 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.824 119.5 32.8 -55.7 -37.9 -36.7 -18.3 35.3 31 35 A E H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.644 103.8 71.7 -97.6 -16.8 -33.5 -19.7 36.7 32 36 A S H < S- 0 0 11 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.824 89.3-139.3 -67.8 -31.4 -32.5 -17.0 39.2 33 37 A G < + 0 0 71 -4,-1.1 -1,-0.1 1,-0.4 -3,-0.1 0.380 64.3 122.7 85.5 -5.1 -35.3 -18.1 41.5 34 38 A A - 0 0 10 -5,-0.3 2,-0.6 -31,-0.1 -1,-0.4 -0.634 66.2-115.8 -90.4 148.1 -36.0 -14.4 42.1 35 39 A P - 0 0 100 0, 0.0 -32,-0.1 0, 0.0 -5,-0.0 -0.771 67.4 -50.6 -92.5 120.2 -39.4 -12.8 41.4 36 40 A K S S+ 0 0 181 -2,-0.6 4,-0.3 1,-0.2 3,-0.1 0.581 96.8 123.7 31.2 26.2 -39.7 -10.1 38.6 37 41 A G > + 0 0 7 1,-0.1 4,-3.2 2,-0.1 5,-0.4 0.619 45.7 86.9 -86.0 -11.7 -36.8 -8.2 40.1 38 42 A S H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.962 97.9 32.8 -49.3 -67.1 -34.8 -8.2 36.9 39 43 A L H 4 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.664 118.0 59.8 -67.1 -16.8 -36.3 -5.1 35.3 40 44 A Y H 4 S+ 0 0 161 -4,-0.3 3,-0.4 3,-0.2 -2,-0.2 0.973 112.1 33.8 -74.2 -56.3 -36.7 -3.6 38.8 41 45 A H H < S+ 0 0 49 -4,-3.2 2,-0.7 1,-0.3 -2,-0.2 0.773 120.5 49.9 -72.0 -29.7 -33.0 -3.6 39.8 42 46 A F S X S- 0 0 8 -4,-2.2 4,-0.6 -5,-0.4 -1,-0.3 -0.631 101.5-131.5-110.4 70.5 -31.7 -2.9 36.4 43 47 A F T 4 - 0 0 152 -2,-0.7 3,-0.2 -3,-0.4 -3,-0.2 0.134 51.4 -72.7 -21.6 108.3 -34.0 0.0 35.8 44 48 A P T 4 S+ 0 0 82 0, 0.0 2,-4.6 0, 0.0 5,-0.1 0.171 102.7 106.3 23.1-135.4 -35.3 -0.9 32.3 45 49 A N T 4 S- 0 0 134 4,-0.1 2,-0.3 3,-0.1 3,-0.3 -0.273 72.8-160.6 67.0 -60.5 -32.5 -0.4 29.7 46 50 A G X + 0 0 14 -2,-4.6 4,-2.2 -4,-0.6 5,-0.2 -0.712 43.2 10.8 103.2-144.5 -32.4 -4.2 29.7 47 51 A K H > S+ 0 0 55 -2,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.848 122.7 50.5 -49.0 -50.5 -29.8 -6.8 28.7 48 52 A E H > S+ 0 0 78 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.915 111.6 47.9 -61.3 -44.4 -26.8 -4.6 28.1 49 53 A E H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 115.5 44.8 -62.5 -43.6 -27.1 -2.8 31.4 50 54 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 112.1 54.1 -65.7 -41.2 -27.5 -6.2 33.2 51 55 A A H X S+ 0 0 4 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.851 103.2 54.8 -60.6 -40.3 -24.6 -7.5 31.1 52 56 A I H X S+ 0 0 39 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.927 113.8 41.8 -61.6 -41.9 -22.2 -4.7 32.1 53 57 A E H X S+ 0 0 75 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.839 112.3 54.8 -73.7 -32.5 -22.9 -5.5 35.8 54 58 A A H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.907 108.8 47.7 -66.5 -42.0 -22.7 -9.3 35.1 55 59 A V H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.892 112.8 48.9 -65.1 -40.4 -19.3 -9.0 33.5 56 60 A T H X S+ 0 0 46 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.904 112.7 48.9 -63.7 -41.7 -18.1 -6.8 36.4 57 61 A Y H X S+ 0 0 24 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.946 114.0 43.6 -61.5 -53.3 -19.5 -9.4 38.9 58 62 A T H X S+ 0 0 7 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.883 110.3 60.0 -60.5 -38.8 -17.8 -12.3 37.1 59 63 A G H X S+ 0 0 2 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.915 104.1 47.7 -55.1 -47.6 -14.7 -10.1 36.9 60 64 A K H X S+ 0 0 95 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.904 109.7 53.1 -62.9 -43.3 -14.5 -9.8 40.7 61 65 A I H X S+ 0 0 76 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.926 113.4 42.3 -57.8 -48.2 -14.9 -13.6 41.2 62 66 A V H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.925 112.4 54.8 -66.4 -42.3 -12.1 -14.4 38.9 63 67 A E H X S+ 0 0 54 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.919 108.9 48.3 -55.5 -45.9 -10.0 -11.6 40.3 64 68 A H H X S+ 0 0 118 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.837 110.3 52.5 -64.1 -34.2 -10.4 -13.0 43.8 65 69 A L H X S+ 0 0 72 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.941 110.6 45.9 -67.8 -46.7 -9.5 -16.5 42.5 66 70 A I H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.943 115.0 48.7 -60.2 -46.1 -6.3 -15.3 40.9 67 71 A Q H X S+ 0 0 50 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.943 110.9 48.3 -60.7 -49.2 -5.5 -13.4 44.0 68 72 A Q H X S+ 0 0 84 -4,-2.9 4,-0.5 1,-0.2 3,-0.3 0.909 112.6 51.5 -58.3 -38.8 -6.2 -16.3 46.3 69 73 A S H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.2 0.853 103.7 55.3 -65.9 -38.0 -4.0 -18.4 44.0 70 74 A M H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.811 104.8 56.4 -65.4 -28.0 -1.0 -16.0 44.0 71 75 A D H 3< S+ 0 0 112 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.652 88.4 76.2 -77.8 -16.5 -1.1 -16.3 47.8 72 76 A E T << S+ 0 0 95 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.587 103.9 28.4 -73.3 -8.0 -0.7 -20.1 47.8 73 77 A S < - 0 0 13 -3,-0.8 -1,-0.1 -4,-0.2 6,-0.1 -0.986 58.2-145.6-155.0 142.4 3.0 -19.9 46.9 74 78 A S S S+ 0 0 106 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.834 89.0 82.0 -70.4 -32.8 5.9 -17.6 47.5 75 79 A D S > S- 0 0 76 1,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.651 71.8-153.6 -78.8 115.0 7.2 -18.6 44.0 76 80 A P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.920 94.8 51.9 -52.4 -50.4 5.4 -16.6 41.3 77 81 A V H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.947 113.0 44.6 -53.1 -52.1 5.9 -19.4 38.7 78 82 A E H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 112.6 51.6 -61.9 -39.6 4.4 -22.0 41.0 79 83 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.921 109.8 49.6 -64.9 -41.9 1.5 -19.7 42.0 80 84 A I H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.917 110.6 49.8 -63.5 -42.6 0.6 -19.0 38.4 81 85 A Q H X S+ 0 0 38 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.909 106.7 55.5 -62.1 -43.2 0.7 -22.7 37.5 82 86 A L H X S+ 0 0 58 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.883 108.3 48.6 -56.7 -40.9 -1.6 -23.5 40.5 83 87 A F H X S+ 0 0 15 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.925 112.7 47.3 -66.2 -44.0 -4.1 -21.0 39.2 84 88 A I H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 111.6 51.5 -63.6 -41.0 -3.9 -22.6 35.7 85 89 A K H X S+ 0 0 109 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.885 110.3 48.8 -64.8 -36.4 -4.2 -26.0 37.2 86 90 A K H X S+ 0 0 72 -4,-2.1 4,-0.5 -5,-0.2 3,-0.5 0.926 111.2 49.1 -67.6 -43.9 -7.3 -25.0 39.1 87 91 A T H >< S+ 0 0 9 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.884 110.1 54.2 -60.9 -37.3 -8.9 -23.4 36.0 88 92 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.751 94.3 66.7 -69.1 -28.1 -8.1 -26.6 34.1 89 93 A S H >< S+ 0 0 47 -4,-1.2 3,-1.4 -3,-0.5 4,-0.4 0.674 80.7 78.3 -69.9 -17.6 -9.9 -29.0 36.6 90 94 A Q T << S+ 0 0 17 -3,-0.9 3,-0.3 -4,-0.5 -1,-0.3 0.742 93.8 54.2 -61.9 -20.3 -13.3 -27.5 35.7 91 95 A F T < S+ 0 0 5 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.573 77.3 88.7 -91.9 -10.7 -13.0 -29.7 32.6 92 96 A D S < S+ 0 0 86 -3,-1.4 2,-0.4 1,-0.2 -1,-0.2 0.835 101.9 32.2 -56.5 -28.4 -12.4 -33.1 34.2 93 97 A N S > S- 0 0 101 -4,-0.4 3,-1.4 -3,-0.3 4,-0.4 -0.990 74.6-141.1-134.5 125.6 -16.2 -33.4 34.3 94 98 A T G > S+ 0 0 93 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.783 103.5 61.7 -51.7 -28.7 -18.6 -31.9 31.7 95 99 A E G 3 S+ 0 0 188 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.1 0.846 102.1 48.5 -68.7 -35.9 -20.9 -31.1 34.6 96 100 A S G < S+ 0 0 61 -3,-1.4 2,-0.3 -6,-0.1 -1,-0.2 0.343 84.0 127.8 -87.7 7.3 -18.4 -28.8 36.3 97 101 A I < - 0 0 13 -3,-0.9 2,-0.4 -4,-0.4 -6,-0.1 -0.467 36.1-174.3 -71.4 127.7 -17.7 -26.9 33.1 98 102 A K - 0 0 73 1,-0.3 -81,-0.1 -2,-0.3 -2,-0.0 -0.879 24.2-128.8-112.6 148.3 -18.0 -23.1 33.2 99 103 A G - 0 0 1 -2,-0.4 -1,-0.3 -86,-0.3 -82,-0.2 0.596 54.6 -51.6 -69.8-129.0 -17.6 -21.5 29.8 100 104 A I > - 0 0 0 -84,-1.4 4,-1.6 -85,-0.2 5,-0.5 -0.856 56.5-146.1-115.6 89.9 -15.2 -18.6 29.3 101 105 A P T 4 S- 0 0 9 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.668 83.9 -8.2 -21.7 -58.5 -16.3 -16.1 32.1 102 106 A V T > S+ 0 0 0 -44,-0.1 4,-2.4 -3,-0.1 5,-0.2 0.714 124.2 72.0-116.6 -42.9 -15.6 -12.8 30.3 103 107 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.774 94.9 52.9 -47.6 -40.6 -13.9 -13.8 27.0 104 108 A L H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.982 113.6 41.6 -63.8 -54.8 -16.9 -15.3 25.3 105 109 A L H > S+ 0 0 4 -5,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.860 114.4 53.8 -60.2 -34.9 -19.2 -12.3 25.9 106 110 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.888 108.1 48.4 -68.2 -39.3 -16.3 -9.9 25.0 107 111 A S H < S+ 0 0 1 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.796 114.3 47.9 -70.9 -28.1 -15.6 -11.7 21.6 108 112 A E H < S+ 0 0 9 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.825 122.7 30.3 -80.5 -33.4 -19.3 -11.5 20.8 109 113 A T H >< S+ 0 0 0 -4,-1.9 3,-1.4 -5,-0.2 8,-0.3 0.510 89.1 99.2-105.6 -9.3 -19.9 -7.9 21.7 110 114 A A T 3< S+ 0 0 0 -4,-1.7 7,-0.2 1,-0.3 -1,-0.1 0.894 89.0 41.1 -45.2 -55.1 -16.5 -6.4 20.9 111 115 A L T 3 S+ 0 0 62 -4,-0.3 -1,-0.3 91,-0.2 2,-0.2 0.567 123.0 41.9 -75.8 -8.9 -17.5 -5.0 17.4 112 116 A I S < S+ 0 0 89 -3,-1.4 5,-0.3 1,-0.3 -3,-0.0 -0.569 108.5 29.9-119.2-175.1 -20.9 -3.8 18.7 113 117 A S > - 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0 0 16 -3,-0.8 -1,-0.1 -4,-0.1 6,-0.1 -0.978 55.2-150.3-158.8 144.5 10.5 -19.4 5.7 259 78 B S S S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.734 85.9 85.3 -83.5 -25.1 12.8 -22.3 6.3 260 79 B D S > S- 0 0 65 1,-0.2 4,-2.6 -3,-0.1 3,-0.4 -0.699 71.5-155.4 -80.2 107.9 13.2 -21.2 10.0 261 80 B P H > S+ 0 0 16 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.857 93.1 48.9 -50.8 -44.0 10.2 -22.8 11.8 262 81 B V H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.852 112.9 47.4 -67.6 -34.9 10.2 -20.2 14.5 263 82 B E H > S+ 0 0 95 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.879 110.3 52.4 -72.7 -38.3 10.4 -17.4 12.0 264 83 B A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.806 111.6 47.5 -66.4 -31.0 7.6 -18.9 9.9 265 84 B I H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.886 110.7 49.7 -78.6 -39.1 5.4 -19.1 13.0 266 85 B Q H X S+ 0 0 40 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.819 109.2 53.9 -67.9 -32.3 6.1 -15.5 14.2 267 86 B L H X S+ 0 0 57 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.890 105.6 51.8 -69.9 -40.4 5.2 -14.3 10.7 268 87 B F H X S+ 0 0 22 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.944 111.9 47.4 -61.1 -43.9 1.9 -16.0 10.7 269 88 B I H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.843 111.1 51.3 -64.8 -35.4 1.1 -14.4 14.1 270 89 B K H X S+ 0 0 104 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.896 109.5 48.9 -70.5 -39.1 2.2 -11.0 12.9 271 90 B K H < S+ 0 0 105 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.905 111.9 50.1 -65.1 -39.0 0.0 -11.2 9.8 272 91 B T H >< S+ 0 0 17 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.872 109.4 51.8 -65.5 -36.0 -2.8 -12.2 12.0 273 92 B A H >X S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 4,-0.5 0.757 94.0 71.5 -72.1 -26.6 -2.1 -9.2 14.3 274 93 B S T 3< S+ 0 0 59 -4,-1.5 3,-0.4 1,-0.3 -1,-0.2 0.711 83.1 72.5 -63.2 -20.9 -2.1 -6.7 11.4 275 94 B Q T <4 S+ 0 0 33 -3,-0.9 3,-0.4 -4,-0.5 -1,-0.3 0.714 94.7 53.4 -67.6 -20.8 -5.9 -7.1 11.2 276 95 B F T <4 S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.729 82.4 78.6 -89.4 -24.3 -6.3 -5.1 14.4 277 96 B D S < S+ 0 0 100 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.335 104.0 46.9 -68.2 15.7 -4.4 -1.9 13.6 278 97 B N S > S- 0 0 72 -3,-0.4 3,-1.0 1,-0.1 4,-0.3 -0.820 71.8-153.3-158.1 111.3 -7.6 -1.1 11.7 279 98 B T G > S+ 0 0 95 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.831 98.0 60.7 -54.4 -32.6 -11.1 -1.6 13.1 280 99 B E G 3 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.829 102.9 47.2 -64.9 -37.1 -12.2 -2.0 9.5 281 100 B S G < S+ 0 0 54 -3,-1.0 2,-0.4 -6,-0.2 -1,-0.2 0.271 78.8 125.5 -92.5 12.4 -10.1 -5.1 8.7 282 101 B I < - 0 0 13 -3,-1.0 -6,-0.1 -4,-0.3 -3,-0.0 -0.588 34.7-177.9 -73.7 124.9 -11.0 -7.0 11.9 283 102 B K - 0 0 102 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.664 28.6-136.8 -98.5 -19.2 -12.4 -10.4 10.9 284 103 B G - 0 0 1 1,-0.1 -1,-0.3 61,-0.1 -82,-0.2 -0.762 51.5 -33.4 99.8-147.0 -13.2 -11.8 14.4 285 104 B I > - 0 0 2 -84,-1.7 4,-1.1 -2,-0.3 5,-0.5 -0.811 55.9-153.5-119.4 91.3 -12.5 -15.3 15.5 286 105 B P T 4 S- 0 0 31 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.740 82.9 -10.9 -25.5 -63.4 -12.8 -17.7 12.5 287 106 B V T > S+ 0 0 1 -44,-0.1 4,-2.5 2,-0.1 5,-0.2 0.714 123.2 73.7-117.0 -33.8 -13.6 -20.9 14.3 288 107 B G H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.827 93.8 51.6 -52.8 -44.6 -13.1 -20.2 18.0 289 108 B L H X S+ 0 0 4 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.962 114.4 42.1 -61.9 -52.4 -16.1 -18.0 18.7 290 109 B L H > S+ 0 0 5 -5,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.916 114.7 53.1 -59.3 -44.1 -18.6 -20.5 17.2 291 110 B A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.904 109.5 46.7 -58.8 -45.5 -16.8 -23.4 18.8 292 111 B S H < S+ 0 0 3 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.809 113.2 50.7 -68.5 -29.9 -16.9 -21.9 22.3 293 112 B E H < S+ 0 0 7 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.803 120.5 31.8 -78.2 -29.7 -20.6 -21.0 21.9 294 113 B T H >< S+ 0 0 1 -4,-1.9 3,-1.1 -5,-0.2 8,-0.3 0.473 86.3 102.6-108.2 -3.1 -21.7 -24.4 20.7 295 114 B A T 3< S+ 0 0 0 -4,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.852 91.7 36.0 -47.6 -47.1 -19.4 -26.7 22.6 296 115 B L T 3 S+ 0 0 59 -4,-0.3 2,-0.4 -279,-0.2 -1,-0.3 0.516 119.3 54.7 -88.8 -5.9 -21.9 -27.7 25.3 297 116 B I S < S+ 0 0 88 -3,-1.1 -1,-0.1 1,-0.3 5,-0.1 -0.988 109.1 15.3-128.2 119.7 -24.8 -27.7 22.8 298 117 B S > - 0 0 35 -2,-0.4 4,-1.9 3,-0.1 -1,-0.3 0.871 53.3-153.2 83.8 97.5 -24.5 -29.9 19.7 299 118 B E H > S+ 0 0 93 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.845 93.9 65.4 -65.9 -34.2 -21.8 -32.6 19.4 300 119 B P H > S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.937 106.9 39.7 -56.3 -46.7 -21.8 -32.2 15.6 301 120 B L H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.946 116.6 49.3 -67.6 -46.7 -20.5 -28.7 15.7 302 121 B R H X S+ 0 0 25 -4,-1.9 4,-2.7 -8,-0.3 5,-0.2 0.911 111.0 52.3 -57.6 -41.5 -18.1 -29.4 18.6 303 122 B T H X S+ 0 0 61 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.935 111.8 44.2 -60.4 -49.2 -16.9 -32.4 16.6 304 123 B V H X S+ 0 0 12 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.893 114.5 48.9 -64.8 -40.0 -16.2 -30.4 13.5 305 124 B C H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.904 112.0 49.4 -66.2 -39.5 -14.5 -27.6 15.4 306 125 B M H X S+ 0 0 55 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.946 112.6 48.8 -62.1 -46.1 -12.4 -30.1 17.2 307 126 B K H X S+ 0 0 142 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.887 112.4 48.0 -62.7 -39.0 -11.5 -31.6 13.8 308 127 B V H X S+ 0 0 10 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.893 107.5 53.3 -70.9 -41.4 -10.7 -28.2 12.3 309 128 B F H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.937 107.6 53.0 -59.3 -43.2 -8.4 -27.1 15.2 310 129 B K H X S+ 0 0 102 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.895 104.4 55.7 -57.9 -40.4 -6.4 -30.3 14.8 311 130 B S H X S+ 0 0 27 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.872 109.9 46.9 -61.3 -35.3 -6.0 -29.6 11.1 312 131 B W H X S+ 0 0 7 -4,-1.6 4,-1.3 -3,-0.4 3,-0.3 0.895 112.7 45.3 -74.0 -44.6 -4.5 -26.2 12.0 313 132 B E H X S+ 0 0 12 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.817 107.1 62.3 -69.3 -25.9 -2.1 -27.4 14.7 314 133 B A H X S+ 0 0 35 -4,-2.1 4,-3.5 -5,-0.3 -1,-0.2 0.839 98.5 55.3 -65.0 -34.4 -1.1 -30.2 12.3 315 134 B V H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.3 -1,-0.2 0.925 112.9 41.8 -64.0 -42.6 0.1 -27.5 9.9 316 135 B F H X S+ 0 0 2 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.915 115.9 50.2 -68.5 -42.4 2.3 -26.3 12.7 317 136 B A H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.895 108.1 52.3 -63.0 -43.2 3.2 -29.9 13.7 318 137 B R H X S+ 0 0 97 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.922 109.2 49.9 -60.1 -45.7 4.1 -30.9 10.1 319 138 B K H < S+ 0 0 24 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.913 112.3 46.2 -61.0 -44.9 6.5 -27.9 9.8 320 139 B L H ><>S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 5,-1.7 0.904 109.4 55.3 -65.6 -39.2 8.3 -28.7 13.1 321 140 B M H ><5S+ 0 0 68 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.811 100.3 60.1 -61.1 -31.0 8.5 -32.4 12.1 322 141 B E T 3<5S+ 0 0 142 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.495 106.0 51.1 -74.9 -2.4 10.2 -31.3 8.9 323 142 B N T < 5S- 0 0 74 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.060 131.6 -81.3-122.3 22.4 12.9 -29.8 11.2 324 143 B G T < 5S+ 0 0 74 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.235 83.4 132.7 102.6 -17.6 13.7 -32.7 13.5 325 144 B F < - 0 0 61 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.474 57.7-116.6 -72.5 142.6 10.9 -32.7 16.1 326 145 B A > - 0 0 42 -2,-0.2 4,-3.4 1,-0.1 5,-0.3 -0.382 27.5-107.3 -73.6 155.4 9.2 -36.1 16.7 327 146 B E H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 119.1 47.0 -48.6 -51.1 5.5 -36.5 15.9 328 147 B E H > S+ 0 0 122 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.909 116.8 42.3 -61.6 -44.8 4.4 -36.4 19.5 329 148 B E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.881 114.7 52.1 -69.8 -38.1 6.5 -33.4 20.4 330 149 B A H X S+ 0 0 0 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.908 107.3 52.1 -63.9 -43.2 5.5 -31.7 17.2 331 150 B N H X S+ 0 0 72 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.843 107.6 53.3 -63.0 -34.6 1.8 -32.3 17.9 332 151 B Q H X S+ 0 0 100 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.905 107.7 47.6 -69.0 -42.9 2.1 -30.7 21.4 333 152 B L H X S+ 0 0 21 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.806 109.1 59.6 -67.0 -27.4 3.7 -27.5 20.2 334 153 B G H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.971 108.3 39.7 -64.5 -55.1 0.9 -27.4 17.6 335 154 B T H X S+ 0 0 16 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.817 117.6 51.6 -65.7 -28.5 -1.9 -27.4 20.1 336 155 B L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.942 111.9 44.3 -71.8 -48.4 0.1 -25.0 22.3 337 156 B I H X S+ 0 0 9 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.889 114.9 50.3 -62.5 -38.2 0.8 -22.5 19.5 338 157 B N H X S+ 0 0 6 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.916 110.1 48.8 -65.8 -45.5 -2.8 -22.7 18.4 339 158 B S H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 111.0 51.7 -61.4 -42.2 -4.3 -22.1 21.8 340 159 B M H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.886 109.4 48.6 -63.2 -41.7 -2.0 -19.1 22.3 341 160 B I H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.921 110.6 50.6 -66.7 -41.1 -3.0 -17.5 19.0 342 161 B E H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.934 112.5 47.4 -61.1 -45.4 -6.7 -18.0 19.8 343 162 B G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.906 111.5 51.2 -61.7 -41.8 -6.1 -16.4 23.2 344 163 B G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 13,-0.3 0.873 109.2 50.3 -64.5 -37.7 -4.2 -13.6 21.5 345 164 B I H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.935 109.6 50.4 -67.0 -44.4 -7.0 -12.9 19.1 346 165 B M H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 116.3 41.4 -58.5 -46.5 -9.7 -12.8 21.8 347 166 B L H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 6,-0.2 0.880 114.8 50.5 -69.8 -40.1 -7.6 -10.3 23.8 348 167 B S H X>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.2 4,-0.8 0.887 112.8 47.9 -66.0 -37.1 -6.6 -8.3 20.8 349 168 B L H <5S+ 0 0 2 -4,-2.8 3,-0.3 2,-0.2 -2,-0.2 0.918 112.7 46.9 -68.6 -44.6 -10.2 -8.1 19.7 350 169 B T H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -229,-0.2 0.892 120.5 39.8 -63.4 -40.1 -11.4 -7.1 23.1 351 170 B N H <5S- 0 0 23 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.523 99.0-137.3 -86.3 -6.9 -8.6 -4.5 23.3 352 171 B K T <5S+ 0 0 52 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.869 74.9 102.6 51.1 34.5 -9.0 -3.5 19.6 353 172 B D S > S+ 0 0 70 -2,-0.3 4,-1.8 1,-0.2 3,-0.6 0.490 74.0 103.3 -84.1 -3.0 -2.7 -6.0 18.4 355 174 B T H 3> S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 76.7 57.6 -47.6 -49.3 -0.2 -5.9 21.4 356 175 B P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.922 109.5 45.0 -47.6 -50.2 -1.5 -9.2 22.8 357 176 B L H <> S+ 0 0 0 -3,-0.6 4,-1.8 -13,-0.3 -2,-0.2 0.849 111.1 51.0 -65.4 -36.1 -0.6 -11.0 19.6 358 177 B L H X S+ 0 0 51 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.906 107.7 55.9 -67.5 -37.6 2.8 -9.4 19.2 359 178 B L H < S+ 0 0 10 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.906 107.2 48.2 -58.4 -44.2 3.6 -10.4 22.8 360 179 B I H >X S+ 0 0 2 -4,-1.7 3,-1.6 -5,-0.2 4,-0.7 0.877 106.7 57.2 -64.1 -39.9 2.8 -14.0 21.9 361 180 B A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.878 99.3 59.4 -59.2 -40.0 5.0 -13.8 18.8 362 181 B E T 3< S+ 0 0 122 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.515 103.7 54.3 -68.9 -3.1 8.0 -12.8 21.0 363 182 B Q T <> S+ 0 0 35 -3,-1.6 4,-2.0 -4,-0.2 3,-0.4 0.639 78.4 89.1-105.2 -17.4 7.6 -16.0 22.9 364 183 B I H