==== 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 DNA-BINDING PROTEIN/DNA 17-SEP-10 2XRO . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGV; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.LU,S.FILLET,C.MENG,Y.ALGUEL,P.KLOPPSTECK,J.BERGERON,T.KREL . 958 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 71.8 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 . 178 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 10 1.0 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 . 68 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 2 6 6 0 0 0 2 6 2 4 2 0 2 0 0 0 0 0 0 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 . 5 0 10 2 4 2 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 4 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 15 A Q 0 0 108 0, 0.0 4,-0.3 0, 0.0 279,-0.0 0.000 360.0 360.0 360.0 -11.2 5.5 28.2 -12.0 2 16 A V >> + 0 0 44 2,-0.1 4,-2.1 3,-0.1 3,-0.8 0.633 360.0 72.9 -95.1 -28.2 4.3 29.9 -15.2 3 17 A I H 3> S+ 0 0 11 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.880 86.0 62.7 -43.8 -45.6 1.2 27.9 -14.6 4 18 A A H 3> S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.914 106.1 45.6 -49.3 -46.7 0.5 30.4 -11.8 5 19 A R H <> S+ 0 0 114 -3,-0.8 4,-2.5 -4,-0.3 5,-0.2 0.980 109.1 52.5 -60.6 -61.1 0.4 33.1 -14.4 6 20 A A H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.885 113.5 46.9 -40.9 -46.3 -1.8 31.1 -16.9 7 21 A A H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.3 5,-0.3 0.896 105.7 54.5 -71.6 -42.3 -4.2 30.5 -14.0 8 22 A S H X S+ 0 0 34 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.892 111.3 50.4 -55.7 -35.9 -4.3 34.1 -12.7 9 23 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.3 0.941 107.9 52.0 -62.3 -50.7 -5.3 34.8 -16.3 10 24 A M H X S+ 0 0 9 -4,-2.2 4,-2.8 -5,-0.2 3,-0.2 0.971 110.9 46.0 -47.7 -67.8 -8.0 32.1 -16.2 11 25 A R H X S+ 0 0 96 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.912 109.8 56.4 -40.7 -54.8 -9.5 33.5 -13.1 12 26 A A H X S+ 0 0 14 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.931 109.8 44.3 -45.4 -55.4 -9.3 37.0 -14.6 13 27 A L H >< S+ 0 0 3 -4,-2.7 3,-1.6 -3,-0.2 6,-0.3 0.941 111.7 53.9 -55.7 -51.2 -11.3 35.8 -17.7 14 28 A G H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.885 101.4 58.4 -49.7 -46.6 -13.8 34.0 -15.4 15 29 A S H 3< S+ 0 0 92 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.705 111.2 43.8 -61.4 -21.1 -14.5 37.1 -13.4 16 30 A H X< + 0 0 85 -3,-1.6 3,-2.5 -4,-0.8 -1,-0.3 -0.680 69.8 178.4-124.4 78.1 -15.6 38.9 -16.5 17 31 A P T 3 S+ 0 0 45 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 0.720 75.1 67.5 -58.6 -20.7 -17.8 36.4 -18.4 18 32 A H T 3 S- 0 0 148 1,-0.2 -4,-0.1 -3,-0.1 2,-0.1 0.695 113.2 -98.4 -77.6 -18.4 -18.5 38.9 -21.1 19 33 A G < - 0 0 26 -3,-2.5 2,-0.3 -6,-0.3 40,-0.2 -0.054 31.2-133.4 118.1 148.3 -14.9 38.8 -22.3 20 34 A L B -A 58 0A 20 38,-2.2 38,-1.1 -3,-0.1 2,-0.3 -0.814 13.6-126.2-128.4 167.9 -11.6 40.6 -22.2 21 35 A S > - 0 0 45 -2,-0.3 4,-3.8 36,-0.2 5,-0.4 -0.832 33.8-108.7-111.5 153.0 -8.7 41.7 -24.5 22 36 A L H > S+ 0 0 44 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.916 125.2 51.8 -41.1 -50.0 -5.1 40.9 -24.2 23 37 A A H > S+ 0 0 31 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.966 113.7 40.0 -48.8 -63.2 -4.8 44.6 -23.2 24 38 A A H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.870 117.3 49.1 -59.0 -41.1 -7.5 44.4 -20.5 25 39 A I H X S+ 0 0 0 -4,-3.8 4,-2.6 1,-0.2 3,-0.4 0.963 110.1 50.8 -63.2 -52.0 -6.3 41.0 -19.2 26 40 A A H < S+ 0 0 9 -4,-3.0 5,-0.4 -5,-0.4 -1,-0.2 0.724 111.5 49.2 -59.2 -27.2 -2.7 42.2 -19.0 27 41 A Q H < S+ 0 0 163 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.804 108.9 52.4 -79.9 -31.2 -3.9 45.2 -17.1 28 42 A L H < S+ 0 0 96 -4,-1.8 2,-0.3 -3,-0.4 -2,-0.2 0.882 116.7 39.3 -73.7 -39.3 -5.9 43.1 -14.7 29 43 A V S < S- 0 0 16 -4,-2.6 2,-1.3 -5,-0.1 -24,-0.0 -0.831 100.8-110.8-102.1 151.4 -3.0 40.8 -13.9 30 44 A G S S+ 0 0 85 -2,-0.3 -3,-0.1 2,-0.0 -4,-0.1 0.023 77.3 121.1 -76.1 36.2 0.4 42.5 -13.6 31 45 A L - 0 0 34 -2,-1.3 2,-0.1 -5,-0.4 -2,-0.1 -0.670 66.4-105.6-105.7 155.3 1.7 41.0 -16.8 32 46 A P > - 0 0 74 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.456 31.4-117.7 -71.3 143.9 3.1 42.4 -20.1 33 47 A R H > S+ 0 0 172 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.851 113.7 53.5 -52.2 -39.8 0.8 42.3 -23.2 34 48 A S H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 109.9 47.2 -65.2 -40.6 3.3 40.0 -25.0 35 49 A T H > S+ 0 0 17 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.978 111.4 49.9 -63.7 -56.3 3.4 37.5 -22.2 36 50 A V H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 3,-0.6 0.953 109.4 54.8 -41.8 -62.7 -0.3 37.5 -21.9 37 51 A Q H 3X S+ 0 0 88 -4,-2.9 4,-2.4 1,-0.3 5,-0.2 0.872 108.3 46.2 -33.0 -58.3 -0.4 36.9 -25.7 38 52 A R H 3X S+ 0 0 120 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.867 116.0 46.8 -62.6 -36.0 1.9 33.9 -25.5 39 53 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 3,-0.9 0.938 113.5 45.0 -46.7 -54.6 -3.5 33.0 -24.1 41 55 A N H 3X S+ 0 0 73 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.923 107.4 58.9 -57.8 -42.4 -2.4 31.2 -27.3 42 56 A A H 3< S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.778 114.4 38.1 -57.3 -25.4 -0.8 28.5 -25.1 43 57 A L H X<>S+ 0 0 4 -4,-1.5 3,-2.5 -3,-0.9 5,-2.3 0.831 107.6 59.3 -94.1 -40.6 -4.3 27.9 -23.7 44 58 A E H ><5S+ 0 0 76 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.740 96.7 67.6 -57.8 -23.5 -6.4 28.4 -26.8 45 59 A E T 3<5S+ 0 0 140 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.760 108.2 36.7 -65.7 -24.0 -4.2 25.5 -28.0 46 60 A E T < 5S- 0 0 22 -3,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.126 113.9-111.5-116.7 17.5 -6.1 23.4 -25.4 47 61 A F T < 5S+ 0 0 56 -3,-1.0 16,-1.5 2,-0.2 17,-0.7 0.790 83.1 127.0 54.6 26.1 -9.5 24.9 -25.7 48 62 A L S - 0 0 0 -13,-2.0 3,-0.7 -12,-0.1 4,-0.5 -0.443 13.5-113.7 -98.1 167.9 -12.8 27.6 -23.4 62 76 A P T >> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 3,-2.3 0.890 108.0 71.1 -62.1 -45.3 -14.9 24.4 -23.8 63 77 A A H 3> S+ 0 0 10 -16,-1.5 4,-2.4 1,-0.3 -15,-0.2 0.819 91.7 63.0 -42.1 -36.0 -12.2 22.1 -22.3 64 78 A L H <4 S+ 0 0 1 -3,-0.7 -1,-0.3 -17,-0.7 245,-0.1 0.889 109.5 37.5 -58.5 -41.5 -13.1 23.8 -19.1 65 79 A G H X> S+ 0 0 3 -3,-2.3 3,-1.2 -4,-0.5 4,-0.9 0.892 112.0 58.5 -77.2 -41.4 -16.7 22.4 -19.3 66 80 A Q H 3X S+ 0 0 35 -4,-2.4 4,-1.2 1,-0.3 2,-0.6 0.876 97.3 63.0 -54.5 -39.7 -15.6 19.1 -20.8 67 81 A L H 3< S+ 0 0 10 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.016 99.9 55.1 -81.3 33.6 -13.4 18.4 -17.8 68 82 A I H <> S+ 0 0 9 -3,-1.2 4,-1.6 -2,-0.6 -1,-0.2 0.543 98.3 54.0-132.2 -35.3 -16.5 18.4 -15.5 69 83 A N H < S+ 0 0 33 -4,-0.9 -2,-0.2 -3,-0.5 8,-0.1 0.817 122.5 37.9 -62.3 -30.3 -18.7 15.8 -17.1 70 84 A Q T >< S+ 0 0 39 -4,-1.2 3,-1.3 2,-0.1 -1,-0.2 0.868 101.1 74.7 -83.0 -42.4 -15.4 13.9 -16.6 71 85 A A T 34 S+ 0 0 20 1,-0.3 230,-0.2 -5,-0.2 2,-0.2 0.857 124.5 3.8 -35.5 -55.8 -14.7 15.5 -13.3 72 86 A Q T 3X S+ 0 0 31 -4,-1.6 4,-0.9 35,-0.1 -1,-0.3 -0.653 70.9 163.7-133.6 79.5 -17.4 13.3 -11.8 73 87 A T T <4 S+ 0 0 65 -3,-1.3 -3,-0.1 -2,-0.2 -2,-0.1 0.004 70.7 69.2 -81.5 31.1 -18.7 11.0 -14.5 74 88 A D T > S+ 0 0 52 3,-0.1 4,-0.9 2,-0.1 5,-0.3 0.738 98.7 31.8-108.4 -79.2 -20.2 9.0 -11.6 75 89 A I H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.824 126.0 48.1 -53.6 -33.6 -23.1 10.7 -9.8 76 90 A L H X S+ 0 0 10 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.918 106.1 56.8 -71.0 -43.6 -24.0 12.3 -13.1 77 91 A S H 4 S+ 0 0 83 -5,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.573 120.3 29.6 -68.3 -9.7 -23.8 9.0 -15.0 78 92 A L H X S+ 0 0 95 -4,-0.9 4,-0.6 -3,-0.3 -1,-0.2 0.680 119.4 49.7-118.1 -34.1 -26.4 7.4 -12.6 79 93 A V H X S+ 0 0 12 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.689 91.1 83.7 -78.3 -18.4 -28.5 10.3 -11.5 80 94 A K H X S+ 0 0 84 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.910 90.1 47.5 -52.8 -49.0 -29.0 11.5 -15.1 81 95 A P H > S+ 0 0 72 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.960 111.8 49.4 -56.8 -53.8 -31.9 9.1 -15.8 82 96 A Y H X S+ 0 0 73 -4,-0.6 4,-2.8 1,-0.3 5,-0.2 0.884 110.6 51.1 -53.3 -43.0 -33.7 9.9 -12.5 83 97 A L H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -1,-0.3 0.858 109.4 52.4 -62.9 -35.7 -33.4 13.6 -13.4 84 98 A R H X S+ 0 0 124 -4,-2.0 4,-1.8 -3,-0.4 3,-0.4 0.983 112.3 42.5 -62.6 -58.5 -34.8 12.8 -16.8 85 99 A S H >X S+ 0 0 63 -4,-2.6 4,-2.4 1,-0.3 3,-0.5 0.932 116.8 47.7 -53.1 -51.1 -37.9 11.1 -15.5 86 100 A L H 3X S+ 0 0 2 -4,-2.8 4,-1.3 1,-0.2 6,-0.4 0.761 110.9 53.1 -64.5 -24.8 -38.4 13.7 -12.8 87 101 A A H 3< S+ 0 0 8 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.770 111.2 45.5 -80.6 -27.9 -38.0 16.4 -15.4 88 102 A E H << S+ 0 0 111 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.826 111.7 53.3 -82.1 -34.6 -40.6 14.9 -17.6 89 103 A E H < S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.997 123.7 22.4 -64.3 -69.1 -43.1 14.3 -14.8 90 104 A L S < S- 0 0 29 -4,-1.3 -1,-0.2 -5,-0.1 -3,-0.1 0.680 96.3-142.1 -72.1 -18.7 -43.3 17.8 -13.2 91 105 A D + 0 0 75 -5,-0.3 23,-0.2 -4,-0.2 2,-0.2 0.841 58.6 122.5 58.7 34.7 -42.1 19.2 -16.6 92 106 A E S S- 0 0 4 -6,-0.4 2,-0.9 20,-0.1 -1,-0.2 -0.565 75.0 -78.3-116.4-177.9 -40.0 21.8 -14.7 93 107 A S E -C 209 0B 1 116,-0.8 116,-2.1 -2,-0.2 2,-0.2 -0.743 49.1-159.2 -89.2 106.3 -36.4 22.8 -14.5 94 108 A V E -CD 208 110B 1 16,-1.4 16,-2.2 -2,-0.9 2,-0.4 -0.581 4.9-162.4 -89.9 147.5 -34.5 20.2 -12.3 95 109 A S E -CD 207 109B 4 112,-2.6 112,-2.6 14,-0.2 2,-0.7 -0.952 14.5-165.6-137.9 117.4 -31.2 20.9 -10.6 96 110 A L E +CD 206 108B 2 12,-2.1 12,-2.6 -2,-0.4 11,-1.4 -0.893 30.3 173.8 -93.3 113.4 -28.6 18.6 -9.1 97 111 A A E -CD 205 106B 1 108,-2.6 108,-2.7 -2,-0.7 9,-0.3 -0.958 22.3-162.3-129.1 142.1 -26.3 20.8 -7.0 98 112 A S E - D 0 105B 30 7,-3.2 7,-1.4 -2,-0.4 2,-0.5 -0.552 31.5-102.6-104.3 178.9 -23.4 20.3 -4.6 99 113 A L E + D 0 104B 52 104,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.895 33.7 170.9-113.2 134.1 -22.1 22.8 -2.1 100 114 A A E > - D 0 103B 29 3,-2.3 3,-1.7 -2,-0.5 28,-0.1 -0.914 63.1 -53.4-137.4 109.9 -19.0 24.9 -2.3 101 115 A G T 3 S- 0 0 59 -2,-0.4 -1,-0.2 1,-0.2 27,-0.1 -0.195 114.6 -22.0 56.7-150.4 -18.6 27.6 0.3 102 116 A D T 3 S+ 0 0 77 -3,-0.1 26,-1.9 25,-0.1 27,-0.6 0.308 131.8 64.9 -75.6 11.8 -21.5 30.0 0.8 103 117 A K E < S-DE 100 127B 68 -3,-1.7 -3,-2.3 24,-0.3 2,-0.5 -0.962 84.7-113.1-135.6 153.7 -22.7 29.1 -2.7 104 118 A I E -DE 99 126B 7 22,-2.8 2,-1.0 -2,-0.3 22,-0.7 -0.731 18.0-142.1 -93.2 127.7 -24.0 26.0 -4.4 105 119 A Y E -DE 98 125B 33 -7,-1.4 -7,-3.2 -2,-0.5 2,-0.6 -0.763 20.2-140.5 -87.1 103.3 -22.0 24.4 -7.2 106 120 A V E -D 97 0B 0 -2,-1.0 17,-2.1 18,-0.9 -9,-0.3 -0.519 21.7-178.4 -67.8 112.0 -24.5 23.2 -9.7 107 121 A L E - 0 0 9 -11,-1.4 2,-0.3 -2,-0.6 -10,-0.2 0.887 65.9 -7.4 -80.0 -39.3 -23.5 19.8 -11.0 108 122 A D E -D 96 0B 13 -12,-2.6 -12,-2.1 13,-0.1 2,-0.3 -0.991 58.2-175.3-153.6 159.2 -26.3 19.4 -13.5 109 123 A R E -D 95 0B 40 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.983 12.7-156.0-148.7 154.9 -29.6 20.9 -14.7 110 124 A I E -D 94 0B 29 -16,-2.2 -16,-1.4 -2,-0.3 2,-0.2 -0.947 23.0-139.1-134.0 120.0 -32.4 20.2 -17.1 111 125 A V - 0 0 35 -2,-0.4 -18,-0.1 -18,-0.2 8,-0.1 -0.523 19.8-114.3 -80.3 137.9 -34.4 23.1 -18.4 112 126 A S - 0 0 3 6,-0.3 -20,-0.1 -2,-0.2 -19,-0.1 -0.394 15.5-135.3 -62.8 144.7 -38.2 22.9 -18.7 113 127 A E + 0 0 108 -22,-0.1 -1,-0.1 -21,-0.1 -21,-0.1 0.296 68.1 122.3 -84.6 10.7 -39.4 23.1 -22.3 114 128 A R S S- 0 0 77 -23,-0.2 727,-0.3 2,-0.1 3,-0.2 -0.276 73.7-118.6 -73.6 158.4 -42.1 25.6 -21.1 115 129 A E S S+ 0 0 97 1,-0.3 726,-2.2 725,-0.1 2,-1.3 0.991 109.7 45.6 -59.9 -63.9 -42.4 29.1 -22.5 116 130 A L E S+H 840 0C 7 724,-0.2 -1,-0.3 794,-0.1 724,-0.2 -0.689 88.9 160.5 -82.0 92.6 -41.8 30.9 -19.2 117 131 A R E -H 839 0C 34 -2,-1.3 722,-0.9 722,-1.2 2,-0.4 -0.493 36.0-133.4-109.2 178.0 -38.8 28.9 -18.0 118 132 A V E -H 838 0C 4 91,-0.2 2,-0.3 720,-0.2 -6,-0.3 -0.958 22.6-176.1-138.6 118.5 -36.0 29.4 -15.5 119 133 A V + 0 0 9 718,-1.9 -26,-0.0 717,-0.4 -10,-0.0 -0.845 15.6 173.9-116.4 151.2 -32.3 28.6 -16.2 120 134 A F - 0 0 19 -2,-0.3 3,-0.1 718,-0.0 4,-0.0 -0.748 40.9-113.2-155.5 102.8 -29.2 28.7 -14.2 121 135 A P > - 0 0 22 0, 0.0 3,-1.3 0, 0.0 -15,-0.2 0.248 39.7 -81.8 -44.1 153.2 -26.0 27.4 -16.0 122 136 A I T 3 S+ 0 0 18 192,-0.3 191,-0.2 1,-0.3 190,-0.2 -0.327 119.8 9.2 -51.2 131.0 -24.2 24.3 -15.0 123 137 A G T 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247 A I H >X S+ 0 0 7 -4,-2.8 3,-2.4 1,-0.3 4,-0.9 0.969 109.0 50.7 -55.7 -57.5 -32.5 7.3 -5.7 234 248 A E H 3< S+ 0 0 49 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.401 97.3 70.1 -70.0 5.7 -31.4 6.4 -2.2 235 249 A R T << S+ 0 0 165 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.274 111.5 31.9 -95.3 7.8 -32.6 2.9 -2.8 236 250 A A T <4 S+ 0 0 62 -3,-2.4 -2,-0.2 0, 0.0 -3,-0.1 0.435 141.4 11.7-135.2 -14.4 -29.7 2.6 -5.2 237 251 A I S < S+ 0 0 23 -4,-0.9 -37,-1.5 -39,-0.1 -36,-0.2 0.413 93.1 115.9-146.0 -10.5 -27.0 4.9 -3.6 238 252 A G 0 0 26 -5,-0.4 -38,-0.2 -39,-0.2 -39,-0.2 0.115 360.0 360.0 -56.1 178.8 -28.3 5.8 -0.1 239 253 A R 0 0 187 -41,-0.4 -1,-0.1 -40,-0.1 -40,-0.1 0.309 360.0 360.0-167.9 360.0 -26.4 4.7 3.0 240 !* 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 0.0 241 14 B I 0 0 25 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.3 3.7 28.2 -23.2 242 15 B Q + 0 0 157 2,-0.1 4,-0.1 3,-0.1 0, 0.0 0.276 360.0 59.8-151.1 1.3 5.0 24.7 -23.7 243 16 B V S > S+ 0 0 43 2,-0.1 4,-2.3 3,-0.1 5,-0.1 0.434 101.3 65.0 -96.4 -14.5 5.0 23.3 -20.2 244 17 B I H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.937 90.7 56.6 -74.3 -49.4 1.3 24.1 -20.5 245 18 B A H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 111.8 49.5 -43.0 -38.6 0.6 21.6 -23.3 246 19 B R H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.976 108.0 47.5 -68.8 -58.5 2.0 19.2 -20.7 247 20 B A H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.861 113.4 52.3 -51.7 -38.3 -0.1 20.3 -17.7 248 21 B A H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.977 103.9 53.7 -62.3 -57.6 -3.1 20.1 -20.0 249 22 B S H X S+ 0 0 44 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.873 110.5 50.6 -43.6 -38.9 -2.3 16.6 -21.1 250 23 B I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -1,-0.3 0.942 106.0 52.6 -67.5 -48.2 -2.3 15.9 -17.4 251 24 B M H X S+ 0 0 8 -4,-2.5 4,-1.5 1,-0.2 5,-0.2 0.964 110.6 49.4 -45.3 -58.2 -5.6 17.5 -16.9 252 25 B R H >X S+ 0 0 95 -4,-2.7 4,-1.2 1,-0.2 3,-0.6 0.895 107.8 53.3 -49.7 -49.5 -7.0 15.3 -19.6 253 26 B A H >X S+ 0 0 6 -4,-2.4 4,-1.0 -5,-0.3 3,-1.0 0.936 108.8 49.3 -52.2 -48.8 -5.4 12.2 -18.0 254 27 B L H 3< S+ 0 0 2 -4,-2.7 47,-0.3 1,-0.3 -1,-0.3 0.735 110.2 51.5 -65.9 -22.9 -7.2 13.0 -14.8 255 28 B G H << S+ 0 0 4 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.625 107.2 53.9 -84.3 -15.8 -10.4 13.5 -16.7 256 29 B S H << S+ 0 0 79 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.2 0.620 120.4 31.2 -90.1 -17.2 -9.9 10.1 -18.3 257 30 B H S >< S+ 0 0 76 -4,-1.0 3,-2.7 -5,-0.2 -1,-0.2 -0.360 71.1 168.3-138.3 59.0 -9.5 8.4 -14.9 258 31 B P T 3 + 0 0 17 0, 0.0 43,-0.2 0, 0.0 3,-0.1 0.585 67.8 73.7 -51.6 -21.0 -11.7 10.5 -12.5 259 32 B H T 3 S- 0 0 139 1,-0.2 2,-0.1 -3,-0.1 41,-0.1 0.755 117.4 -76.1 -70.0 -24.1 -11.5 8.0 -9.7 260 33 B G < - 0 0 23 -3,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.255 42.1-143.3 135.4 140.5 -7.9 9.1 -9.1 261 34 B L - 0 0 20 38,-0.4 38,-0.4 -3,-0.1 2,-0.2 -0.992 8.5-140.9-134.8 136.1 -4.4 8.8 -10.4 262 35 B S > - 0 0 45 -2,-0.4 4,-1.9 35,-0.2 3,-0.2 -0.608 36.4-108.7 -85.2 154.2 -0.9 8.5 -8.9 263 36 B L H > S+ 0 0 40 1,-0.2 4,-2.3 -2,-0.2 14,-0.1 0.710 118.4 61.2 -59.5 -21.5 1.9 10.4 -10.6 264 37 B A H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.989 104.8 45.3 -62.6 -61.0 3.3 7.0 -11.8 265 38 B A H > S+ 0 0 39 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.847 114.0 51.4 -50.8 -38.4 0.1 6.2 -13.8 266 39 B I H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.933 103.7 56.8 -64.0 -46.6 0.3 9.8 -15.1 267 40 B A H < S+ 0 0 15 -4,-2.3 5,-0.4 1,-0.2 -1,-0.2 0.782 112.1 44.9 -55.8 -28.2 3.9 9.3 -16.1 268 41 B Q H < S+ 0 0 152 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.933 107.1 53.8 -81.1 -50.0 2.6 6.4 -18.2 269 42 B L H < S+ 0 0 92 -4,-2.7 2,-0.4 -5,-0.1 -2,-0.2 0.713 122.0 33.7 -59.4 -19.9 -0.4 8.1 -19.8 270 43 B V S < S- 0 0 25 -4,-1.8 2,-3.0 -5,-0.2 -1,-0.1 -0.997 87.5-120.9-138.6 136.3 2.0 10.7 -20.9 271 44 B G S S+ 0 0 80 -2,-0.4 -3,-0.1 -3,-0.0 -4,-0.1 -0.143 72.4 122.2 -70.6 48.3 5.7 10.4 -21.9 272 45 B L - 0 0 23 -2,-3.0 -2,-0.2 -5,-0.4 5,-0.1 -0.962 67.7-107.6-118.2 123.8 6.8 12.8 -19.2 273 46 B P > - 0 0 86 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.036 31.4-109.4 -43.9 149.7 9.3 11.8 -16.5 274 47 B R H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 -7,-0.0 0.892 114.0 52.6 -51.4 -52.0 8.1 11.2 -13.0 275 48 B S H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 106.4 52.5 -56.8 -46.1 9.7 14.3 -11.5 276 49 B T H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.964 109.6 48.9 -54.4 -54.7 8.3 16.7 -14.0 277 50 B V H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.919 108.5 57.6 -49.6 -47.6 4.8 15.4 -13.3 278 51 B Q H X S+ 0 0 93 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.964 111.3 38.7 -43.2 -67.3 5.7 15.9 -9.7 279 52 B R H X S+ 0 0 141 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 117.4 48.5 -56.6 -52.1 6.4 19.6 -10.0 280 53 B I H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.952 110.6 50.3 -55.7 -54.9 3.6 20.4 -12.5 281 54 B I H X S+ 0 0 1 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.926 108.6 55.5 -47.5 -48.6 1.0 18.6 -10.4 282 55 B N H X S+ 0 0 67 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.946 107.9 46.6 -50.4 -54.3 2.3 20.6 -7.4 283 56 B A H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.949 112.9 49.8 -53.5 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-56.3 42.1 -67.6 713 246 E N H >< S+ 0 0 54 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.898 114.9 48.5 -46.5 -49.2 -57.8 43.4 -64.3 714 247 E I H >X S+ 0 0 7 -4,-2.8 3,-2.4 1,-0.3 4,-0.9 0.969 109.0 50.7 -55.5 -57.5 -54.8 45.7 -63.9 715 248 E E H 3< S+ 0 0 48 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.399 97.4 70.1 -70.1 5.6 -54.9 47.1 -67.4 716 249 E R T << S+ 0 0 165 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.275 111.5 31.9 -95.1 7.8 -58.6 47.8 -66.8 717 250 E A T <4 S+ 0 0 63 -3,-2.4 -2,-0.2 0, 0.0 -3,-0.1 0.437 141.4 11.7-135.1 -14.6 -57.3 50.5 -64.5 718 251 E I S < S+ 0 0 21 -4,-0.9 -37,-1.5 -39,-0.1 -36,-0.2 0.412 93.2 115.8-145.9 -10.4 -54.1 51.6 -66.0 719 252 E G 0 0 26 -5,-0.4 -38,-0.2 -39,-0.2 -39,-0.2 0.115 360.0 360.0 -56.2 179.0 -53.9 50.1 -69.5 720 253 E R 0 0 187 -41,-0.4 -1,-0.1 -40,-0.1 -40,-0.1 0.308 360.0 360.0-168.2 360.0 -53.9 52.3 -72.7 721 !* 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 0.0 722 14 F I 0 0 29 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.2 -18.4 66.6 -46.5 723 15 F Q + 0 0 153 2,-0.1 4,-0.1 3,-0.1 0, 0.0 0.274 360.0 59.8-147.7 2.5 -20.9 69.4 -46.0 724 16 F V S > S+ 0 0 42 2,-0.1 4,-2.3 3,-0.1 5,-0.1 0.431 101.2 65.0 -96.9 -14.3 -22.1 70.1 -49.5 725 17 F I H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.937 90.7 56.7 -74.3 -49.1 -23.2 66.6 -49.2 726 18 F A H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 111.8 49.4 -43.5 -38.4 -25.7 67.2 -46.4 727 19 F R H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.976 108.0 47.6 -69.0 -58.4 -27.1 69.6 -49.0 728 20 F A H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.861 113.5 52.2 -51.8 -38.2 -27.2 67.3 -52.0 729 21 F A H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.976 104.0 53.6 -62.1 -57.6 -28.9 64.7 -49.7 730 22 F S H X S+ 0 0 43 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.875 110.6 50.7 -43.8 -38.9 -31.5 67.2 -48.5 731 23 F I H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.943 106.0 52.5 -67.2 -48.4 -32.1 67.6 -52.3 732 24 F M H X S+ 0 0 9 -4,-2.5 4,-1.5 1,-0.2 5,-0.2 0.964 110.6 49.7 -45.5 -57.7 -32.4 63.9 -52.8 733 25 F R H >X S+ 0 0 95 -4,-2.7 4,-1.2 1,-0.2 3,-0.6 0.897 107.8 53.1 -49.8 -49.6 -35.0 63.8 -50.0 734 26 F A H >X S+ 0 0 6 -4,-2.4 4,-1.1 -5,-0.3 3,-1.1 0.941 108.8 49.5 -52.2 -49.1 -36.9 66.7 -51.6 735 27 F L H 3< S+ 0 0 1 -4,-2.7 47,-0.3 1,-0.3 -1,-0.3 0.740 110.2 51.1 -65.0 -23.5 -37.0 64.8 -54.9 736 28 F G H << S+ 0 0 6 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.627 107.5 53.9 -84.7 -15.8 -38.3 61.7 -53.0 737 29 F S H << S+ 0 0 77 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.623 120.4 31.3 -89.9 -18.2 -41.0 63.9 -51.4 738 30 F H S >< S+ 0 0 79 -4,-1.1 3,-2.7 -5,-0.2 -1,-0.2 -0.352 71.2 168.0-136.9 59.8 -42.2 65.1 -54.8 739 31 F P T 3 + 0 0 20 0, 0.0 43,-0.2 0, 0.0 3,-0.1 0.584 67.9 73.5 -52.0 -21.0 -41.5 62.1 -57.1 740 32 F H T 3 S- 0 0 142 1,-0.2 2,-0.1 -3,-0.1 41,-0.1 0.754 117.5 -76.1 -70.0 -24.0 -43.6 63.6 -59.9 741 33 F G < - 0 0 22 -3,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.252 42.1-143.2 135.5 140.3 -40.9 66.1 -60.6 742 34 F L - 0 0 22 38,-0.4 38,-0.4 -3,-0.1 2,-0.2 -0.992 8.5-140.8-134.5 136.2 -39.4 69.3 -59.2 743 35 F S > - 0 0 44 -2,-0.4 4,-1.9 35,-0.2 3,-0.2 -0.609 36.4-108.8 -85.2 154.1 -37.9 72.5 -60.7 744 36 F L H > S+ 0 0 40 1,-0.2 4,-2.3 -2,-0.2 14,-0.1 0.711 118.4 61.2 -59.4 -21.6 -34.8 74.0 -59.0 745 37 F A H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.989 104.8 45.3 -62.7 -60.8 -37.0 76.8 -57.8 746 38 F A H > S+ 0 0 39 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.846 113.9 51.4 -51.0 -38.3 -39.3 74.5 -55.8 747 39 F I H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.931 103.7 56.8 -64.1 -46.3 -36.1 72.9 -54.5 748 40 F A H < S+ 0 0 16 -4,-2.3 5,-0.4 1,-0.2 -1,-0.2 0.785 112.0 44.9 -55.8 -28.6 -34.7 76.3 -53.6 749 41 F Q H < S+ 0 0 153 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.934 107.2 53.7 -81.0 -49.8 -37.9 76.6 -51.5 750 42 F L H < S+ 0 0 91 -4,-2.7 2,-0.4 -5,-0.1 -2,-0.2 0.714 122.0 33.7 -59.6 -19.9 -38.0 73.1 -49.9 751 43 F V S < S- 0 0 25 -4,-1.8 2,-3.0 -5,-0.2 -1,-0.1 -0.997 87.6-120.9-138.6 136.2 -34.4 73.9 -48.7 752 44 F G S S+ 0 0 79 -2,-0.4 -3,-0.1 -3,-0.0 -4,-0.1 -0.141 72.4 122.3 -70.5 48.4 -32.9 77.2 -47.7 753 45 F L - 0 0 21 -2,-3.0 -2,-0.2 -5,-0.4 5,-0.1 -0.963 67.6-107.7-118.4 123.7 -30.3 77.0 -50.4 754 46 F P > - 0 0 87 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.037 31.4-109.3 -44.0 149.9 -29.9 79.7 -53.1 755 47 F R H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 -7,-0.0 0.893 114.0 52.6 -51.7 -51.8 -31.0 78.9 -56.7 756 48 F S H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 106.4 52.6 -57.0 -46.1 -27.5 78.8 -58.2 757 49 F T H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.964 109.6 48.8 -54.2 -54.9 -26.1 76.3 -55.6 758 50 F V H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.916 108.5 57.7 -49.5 -47.4 -29.0 74.0 -56.3 759 51 F Q H X S+ 0 0 90 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.966 111.2 38.7 -43.3 -67.5 -28.2 74.5 -60.0 760 52 F R H X S+ 0 0 142 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 117.4 48.5 -56.3 -52.1 -24.6 73.2 -59.6 761 53 F I H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.951 110.5 50.4 -55.9 -54.5 -25.3 70.4 -57.2 762 54 F I H X S+ 0 0 2 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.923 108.6 55.4 -47.8 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83.4 62.0 -47.0 -41.0 -28.1 55.1 -60.1 786 78 F L H X> S+ 0 0 4 -3,-0.9 3,-1.5 -17,-0.3 4,-0.6 0.953 109.3 38.4 -49.9 -58.7 -30.1 54.4 -57.0 787 79 F G H >4 S+ 0 0 4 -3,-0.4 3,-0.9 -4,-0.4 -1,-0.2 0.877 110.3 61.3 -59.5 -39.2 -31.5 51.2 -58.4 788 80 F Q H 3< S+ 0 0 121 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.687 109.7 45.7 -58.3 -15.3 -28.1 50.5 -59.9 789 81 F L H << S+ 0 0 13 -3,-1.5 -1,-0.2 -4,-0.9 -2,-0.2 0.599 72.4 105.4-107.5 -14.7 -26.8 50.6 -56.3 790 82 F I > - 0 0 43 -2,-0.4 4,-1.7 -3,-0.1 3,-1.0 -0.473 55.4-153.4-163.6 84.7 -34.5 42.9 -45.4 797 89 F I H 3> S+ 0 0 13 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.645 93.3 67.1 -42.0 -20.9 -35.8 44.2 -42.1 798 90 F L H >> S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.999 112.1 26.6 -56.7 -68.6 -34.0 41.2 -40.6 799 91 F S H <4 S+ 0 0 51 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.582 125.9 56.6 -71.9 -8.5 -30.4 42.4 -41.4 800 92 F L H 3< S+ 0 0 14 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.735 117.7 26.0 -94.6 -26.9 -31.9 45.9 -41.3 801 93 F V H XX S+ 0 0 3 -4,-1.9 4,-2.1 -3,-0.6 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