==== 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 07-APR-09 3GZI . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA LOIHICA PV-4; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 74.4 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 . 2 1.0 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 2 1 1 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 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 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 8 A V 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.4 12.8 8.0 63.3 2 9 A G - 0 0 70 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.120 360.0 -57.8 62.8-161.1 15.2 10.0 61.1 3 10 A R - 0 0 249 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.765 60.0-162.6-116.9 83.6 15.3 9.6 57.4 4 11 A P - 0 0 64 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.282 21.2-112.0 -68.5 149.3 16.1 5.9 56.7 5 12 A S > - 0 0 58 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.353 25.8-113.1 -68.1 157.1 17.4 4.9 53.3 6 13 A G H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.874 118.4 59.9 -53.3 -35.4 15.2 2.7 51.1 7 14 A D H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 107.9 39.3 -63.8 -48.1 17.9 0.1 51.6 8 15 A T H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 115.4 54.3 -71.3 -33.7 17.6 -0.1 55.5 9 16 A Q H X S+ 0 0 86 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 108.4 49.2 -61.4 -48.4 13.8 0.3 55.2 10 17 A N H X S+ 0 0 41 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.861 109.9 51.2 -55.6 -43.6 13.7 -2.7 52.9 11 18 A R H X S+ 0 0 67 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.898 112.7 45.2 -58.6 -47.3 15.8 -4.7 55.2 12 19 A D H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.819 107.0 60.1 -69.6 -32.3 13.5 -3.9 58.2 13 20 A K H X S+ 0 0 87 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.898 105.5 49.0 -59.4 -42.1 10.4 -4.7 56.0 14 21 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.916 111.5 47.8 -63.8 -44.5 11.7 -8.2 55.5 15 22 A I H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.906 113.4 48.7 -65.1 -39.9 12.3 -8.6 59.3 16 23 A L H X S+ 0 0 88 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.953 110.9 50.0 -63.0 -48.7 8.8 -7.3 60.0 17 24 A A H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.872 110.7 50.3 -56.4 -43.3 7.2 -9.6 57.4 18 25 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.924 109.1 51.3 -58.1 -47.0 9.1 -12.6 58.9 19 26 A R H >X S+ 0 0 53 -4,-2.3 4,-2.7 1,-0.2 3,-0.9 0.898 113.2 45.7 -60.0 -40.0 7.8 -11.6 62.4 20 27 A N H 3X>S+ 0 0 42 -4,-2.3 4,-2.0 1,-0.3 5,-0.8 0.889 104.7 57.6 -73.9 -39.5 4.2 -11.4 61.1 21 28 A L H 3<5S+ 0 0 23 -4,-2.5 -1,-0.3 3,-0.2 -2,-0.2 0.228 117.5 40.0 -72.8 19.0 4.2 -14.7 59.1 22 29 A F H <45S+ 0 0 23 -3,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.556 120.9 36.6-129.7 -54.5 5.1 -16.1 62.6 23 30 A I H <5S+ 0 0 65 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.956 135.0 21.3 -64.6 -51.9 2.9 -14.2 65.1 24 31 A E T <5S- 0 0 147 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.1 0.695 120.0 -5.0 -93.1 -24.2 -0.1 -14.0 62.7 25 32 A R S - 0 0 24 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.307 8.3-114.4 -82.9 166.9 8.7 -19.2 50.6 32 39 A I H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.931 118.4 57.6 -57.7 -46.5 11.1 -16.4 50.0 33 40 A R H > S+ 0 0 194 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 107.3 47.3 -54.1 -43.2 8.7 -15.1 47.3 34 41 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 111.4 48.6 -68.3 -42.1 5.9 -14.9 49.9 35 42 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.924 114.3 47.3 -60.6 -46.7 8.0 -13.1 52.5 36 43 A A H X>S+ 0 0 1 -4,-2.7 5,-2.4 2,-0.2 4,-1.7 0.837 110.5 51.8 -67.4 -35.9 9.2 -10.6 49.9 37 44 A S H <5S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.933 111.4 46.9 -65.7 -44.2 5.7 -10.0 48.6 38 45 A L H <5S+ 0 0 98 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.935 116.3 45.3 -60.5 -41.9 4.4 -9.3 52.1 39 46 A A H <5S- 0 0 14 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.774 108.7-126.0 -71.6 -29.1 7.4 -6.9 52.7 40 47 A G T <5 + 0 0 57 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.820 68.5 118.3 81.2 36.8 6.9 -5.3 49.4 41 48 A T S - 0 0 106 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.467 39.4-131.6 -54.8 131.2 12.5 -7.8 45.6 43 50 A P T >> S+ 0 0 55 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.711 103.3 71.1 -63.2 -21.4 12.7 -11.5 46.7 44 51 A G H 3> S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.673 81.8 73.0 -64.8 -22.3 16.4 -11.3 46.0 45 52 A L H <> S+ 0 0 31 -3,-1.6 4,-2.5 2,-0.2 5,-0.3 0.641 84.4 65.6 -70.4 -16.6 16.9 -9.1 49.0 46 53 A I H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 5,-0.5 0.969 110.0 36.1 -68.3 -53.2 16.4 -12.0 51.4 47 54 A R H X S+ 0 0 75 -4,-0.6 4,-1.8 3,-0.2 -2,-0.2 0.899 118.1 55.0 -64.3 -36.0 19.5 -13.8 50.2 48 55 A Y H < S+ 0 0 180 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.953 120.5 26.7 -63.0 -53.7 21.3 -10.4 49.8 49 56 A Y H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.810 140.1 19.4 -78.1 -32.2 20.7 -9.1 53.4 50 57 A F H < S- 0 0 16 -4,-2.4 2,-1.6 -5,-0.3 -3,-0.2 0.530 83.0-133.7-123.0 -8.6 20.5 -12.4 55.2 51 58 A G S < S+ 0 0 55 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.1 -0.260 83.7 19.2 81.6 -51.8 22.1 -15.3 53.1 52 59 A S S > S- 0 0 31 -2,-1.6 4,-1.6 -6,-0.2 5,-0.1 -0.954 76.4-112.6-145.6 163.3 19.1 -17.5 53.8 53 60 A K H > S+ 0 0 35 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.833 118.0 56.6 -60.4 -37.0 15.5 -17.6 54.9 54 61 A E H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 106.6 47.8 -65.9 -40.4 16.6 -19.4 58.1 55 62 A K H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.844 107.9 55.9 -71.3 -32.3 19.0 -16.6 59.0 56 63 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.958 110.6 45.9 -58.8 -49.9 16.3 -14.0 58.3 57 64 A F H X S+ 0 0 18 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.921 113.3 47.2 -61.4 -46.1 14.1 -15.8 60.9 58 65 A S H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.911 112.4 50.8 -61.8 -40.7 16.9 -16.1 63.5 59 66 A T H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.937 109.1 51.1 -62.9 -43.7 17.8 -12.4 63.0 60 67 A X H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.903 108.8 52.5 -55.7 -41.3 14.1 -11.5 63.5 61 68 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.953 111.5 45.0 -65.1 -45.1 14.0 -13.6 66.7 62 69 A H H X S+ 0 0 69 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 114.9 47.6 -64.1 -44.8 17.1 -11.8 68.2 63 70 A E H < S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.8 48.5 -66.0 -39.0 15.9 -8.4 67.2 64 71 A T H X S+ 0 0 21 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.880 117.1 43.4 -64.8 -37.4 12.4 -9.0 68.6 65 72 A A H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.767 92.5 81.7 -79.4 -31.2 14.0 -10.4 71.9 66 73 A X H X S+ 0 0 146 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.834 98.4 36.4 -52.6 -49.8 16.7 -7.8 72.5 67 74 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.816 116.1 55.1 -74.7 -30.7 14.5 -5.0 74.1 68 75 A V H X S+ 0 0 3 -4,-0.5 4,-2.3 -3,-0.2 -2,-0.2 0.950 111.8 43.0 -61.4 -52.6 12.3 -7.6 75.9 69 76 A L H X S+ 0 0 49 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.813 112.6 54.4 -64.8 -33.8 15.4 -9.2 77.6 70 77 A A H X S+ 0 0 57 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.951 109.7 46.7 -65.2 -48.7 16.9 -5.7 78.3 71 78 A Q H X S+ 0 0 55 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.921 113.8 47.5 -58.0 -46.0 13.7 -4.7 80.1 72 79 A L H X S+ 0 0 5 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.879 112.4 49.7 -63.9 -38.7 13.6 -7.9 82.1 73 80 A H H X S+ 0 0 112 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.932 112.5 47.5 -65.8 -42.5 17.3 -7.6 83.0 74 81 A K H >X S+ 0 0 102 -4,-2.7 4,-0.6 1,-0.2 3,-0.6 0.935 112.2 50.2 -62.0 -46.9 16.7 -4.0 84.1 75 82 A A H 3< S+ 0 0 30 -4,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.791 112.3 47.5 -60.3 -32.7 13.6 -5.1 86.1 76 83 A R H >< S+ 0 0 41 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.617 88.9 79.9 -90.8 -15.8 15.5 -7.9 87.9 77 84 A R H << S+ 0 0 197 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.890 94.5 53.4 -51.8 -39.9 18.6 -5.9 88.8 78 85 A E T 3< S+ 0 0 114 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.547 98.5 93.0 -67.5 -10.6 16.5 -4.5 91.7 79 86 A T S < S- 0 0 53 -3,-1.6 2,-0.1 1,-0.1 3,-0.1 -0.364 71.3 -97.2-108.3 170.6 15.5 -8.0 93.1 80 87 A R > - 0 0 81 1,-0.2 3,-0.7 -2,-0.1 -1,-0.1 -0.416 48.9 -75.7 -94.2 153.2 16.6 -10.7 95.6 81 88 A Q T 3 S- 0 0 100 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.047 102.5 -28.0 -46.9 146.6 18.6 -13.9 95.4 82 89 A E T 3 S+ 0 0 70 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.555 79.5 161.8 -37.5 112.6 16.5 -16.5 93.8 83 90 A S <> - 0 0 28 -3,-0.7 4,-1.6 1,-0.1 5,-0.2 -0.990 30.8-156.0-124.9 108.1 13.0 -15.6 94.7 84 91 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.882 96.3 57.6 -48.6 -43.2 10.3 -17.2 92.5 85 92 A A H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 104.8 48.5 -56.4 -48.1 8.0 -14.4 93.3 86 93 A A H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.860 110.2 52.5 -63.3 -35.7 10.4 -11.7 92.0 87 94 A L H X S+ 0 0 8 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.887 114.1 43.0 -65.6 -39.4 10.9 -13.7 88.7 88 95 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 112.9 51.0 -76.8 -44.2 7.1 -13.8 88.3 89 96 A Q H X S+ 0 0 86 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.924 115.4 42.2 -58.0 -46.9 6.4 -10.2 89.2 90 97 A T H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.864 111.4 55.5 -72.3 -39.0 9.1 -8.9 86.8 91 98 A Y H X S+ 0 0 17 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.934 110.9 45.6 -52.2 -49.7 8.0 -11.3 84.0 92 99 A Y H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.888 111.1 53.7 -65.2 -37.6 4.4 -10.0 84.3 93 100 A S H X S+ 0 0 70 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.912 116.6 36.4 -64.0 -41.5 5.7 -6.4 84.3 94 101 A V H >X S+ 0 0 2 -4,-2.3 3,-0.9 2,-0.2 4,-0.7 0.895 115.6 51.3 -81.3 -39.4 7.7 -6.8 81.2 95 102 A X H 3< S+ 0 0 2 -4,-2.9 3,-0.2 1,-0.3 6,-0.2 0.764 96.6 71.2 -75.7 -19.1 5.3 -9.2 79.3 96 103 A S H 3< S+ 0 0 38 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.902 106.0 39.3 -52.0 -39.8 2.5 -6.7 80.0 97 104 A K H << S+ 0 0 123 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.650 125.2 37.8 -85.9 -13.8 4.3 -4.5 77.5 98 105 A H S >< S+ 0 0 48 -4,-0.7 3,-2.5 -3,-0.2 -1,-0.2 -0.471 70.6 164.0-134.4 58.2 5.2 -7.4 75.1 99 106 A P T 3 S+ 0 0 63 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.657 74.1 49.6 -61.7 -22.7 2.0 -9.5 75.3 100 107 A H T 3> S+ 0 0 95 1,-0.1 4,-1.9 2,-0.1 5,-0.1 0.469 88.0 85.6 -91.7 -5.1 2.8 -11.5 72.2 101 108 A F H <> S+ 0 0 17 -3,-2.5 4,-2.6 1,-0.2 5,-0.2 0.930 87.0 49.6 -68.6 -48.0 6.4 -12.4 73.2 102 109 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.899 112.1 48.3 -58.0 -40.3 5.6 -15.5 75.3 103 110 A R H > S+ 0 0 79 -4,-0.3 4,-2.5 64,-0.3 -2,-0.2 0.903 111.6 50.5 -69.4 -37.6 3.3 -17.0 72.6 104 111 A L H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.946 112.1 46.7 -60.3 -50.2 6.0 -16.4 69.9 105 112 A X H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 113.2 48.8 -58.5 -44.9 8.6 -18.1 72.0 106 113 A L H X S+ 0 0 77 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.882 110.1 52.0 -65.1 -38.9 6.4 -21.1 72.8 107 114 A R H >< S+ 0 0 104 -4,-2.5 3,-0.6 2,-0.2 -1,-0.2 0.914 111.1 46.7 -59.9 -46.4 5.5 -21.4 69.1 108 115 A I H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.930 108.4 57.0 -62.1 -43.7 9.3 -21.5 68.1 109 116 A A H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.703 100.5 59.4 -60.4 -22.0 9.9 -24.0 71.0 110 117 A G T << S+ 0 0 64 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.396 78.5 114.2 -90.9 1.7 7.3 -26.4 69.4 111 118 A L S < S- 0 0 52 -3,-2.0 2,-1.1 -4,-0.2 -3,-0.0 -0.377 86.0 -97.1 -67.3 152.5 9.2 -26.6 66.1 112 119 A D > - 0 0 80 1,-0.2 3,-1.7 2,-0.1 6,-0.2 -0.625 38.1-165.7 -73.4 103.8 10.5 -30.1 65.2 113 120 A Q T 3 S+ 0 0 79 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.0 0.473 80.5 68.3 -73.8 -3.5 14.2 -29.5 66.4 114 121 A S T 3 S+ 0 0 94 3,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.571 80.8 93.1 -85.6 -11.8 15.3 -32.7 64.6 115 122 A L S X S- 0 0 67 -3,-1.7 3,-1.7 1,-0.1 4,-0.2 -0.675 73.9-140.5 -87.9 135.2 14.7 -31.1 61.2 116 123 A P G > S+ 0 0 106 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.838 100.5 65.2 -65.4 -32.4 17.7 -29.4 59.5 117 124 A E G 3 S+ 0 0 99 1,-0.2 4,-0.2 2,-0.1 -4,-0.1 0.593 106.5 46.0 -53.3 -16.7 15.4 -26.5 58.3 118 125 A N G <> S+ 0 0 24 -3,-1.7 4,-2.3 -6,-0.2 -1,-0.2 0.398 83.1 93.6-111.0 -1.5 14.9 -25.6 62.0 119 126 A A H <> S+ 0 0 61 -3,-1.3 4,-2.8 -4,-0.2 5,-0.2 0.914 88.3 46.3 -62.5 -42.6 18.5 -25.8 63.4 120 127 A E H > S+ 0 0 84 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.922 115.1 44.4 -69.3 -45.9 19.3 -22.1 62.9 121 128 A V H > S+ 0 0 7 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 114.1 52.5 -66.9 -37.6 16.0 -20.8 64.4 122 129 A T H X S+ 0 0 15 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.907 106.9 51.2 -64.7 -46.4 16.4 -23.4 67.3 123 130 A K H X S+ 0 0 134 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.929 112.0 48.3 -51.8 -47.3 19.9 -22.2 68.1 124 131 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.927 109.0 54.2 -58.7 -45.7 18.5 -18.6 68.2 125 132 A F H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 108.1 47.3 -57.0 -48.4 15.7 -19.7 70.5 126 133 A Y H < S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.816 110.6 53.0 -69.4 -31.1 17.9 -21.3 73.1 127 134 A E H >< S+ 0 0 73 -4,-1.7 3,-1.1 -5,-0.2 -1,-0.2 0.934 109.0 49.7 -61.4 -47.1 20.1 -18.3 73.1 128 135 A V H >< S+ 0 0 3 -4,-2.3 3,-0.5 1,-0.3 -2,-0.2 0.883 116.6 40.4 -62.4 -40.0 17.1 -16.0 73.7 129 136 A V G >< S+ 0 0 17 -4,-2.1 3,-2.0 1,-0.2 -1,-0.3 0.308 81.2 106.1 -95.5 11.7 15.8 -18.1 76.6 130 137 A N G < + 0 0 129 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.662 69.7 68.4 -68.4 -16.7 19.2 -18.8 78.2 131 138 A F G < S+ 0 0 61 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.597 74.4 117.7 -70.3 -16.7 18.4 -16.3 81.0 132 139 A E < - 0 0 77 -3,-2.0 2,-1.5 1,-0.1 3,-0.1 -0.305 67.1-135.2 -68.4 138.8 15.7 -18.7 82.4 133 140 A N > + 0 0 45 1,-0.2 3,-1.4 2,-0.1 4,-0.2 -0.604 36.5 167.2 -92.8 71.5 16.2 -20.0 85.9 134 141 A I T 3 S+ 0 0 130 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.418 72.0 40.0 -72.7 -6.3 15.2 -23.5 85.0 135 142 A A T 3> S+ 0 0 45 -3,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.023 74.5 120.9-127.5 25.2 16.5 -25.1 88.3 136 143 A I H <> S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 5,-0.2 0.930 78.8 45.7 -61.8 -44.1 15.4 -22.5 90.8 137 144 A F H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.812 109.0 57.1 -69.2 -27.6 13.2 -24.9 92.8 138 145 A Q H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.939 110.0 45.2 -60.9 -45.8 16.0 -27.5 92.7 139 146 A R H X S+ 0 0 93 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.909 112.6 50.5 -63.9 -41.9 18.2 -24.9 94.3 140 147 A L H <>S+ 0 0 16 -4,-2.3 5,-2.7 2,-0.2 6,-0.4 0.877 109.3 51.5 -62.3 -40.3 15.5 -24.0 96.8 141 148 A K H ><5S+ 0 0 62 -4,-2.2 3,-1.4 1,-0.2 5,-0.2 0.915 109.7 50.0 -61.8 -43.5 15.0 -27.7 97.7 142 149 A D H 3<5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.2 53.0 -69.6 -29.8 18.7 -28.1 98.3 143 150 A K T 3<5S- 0 0 159 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.322 116.5-117.0 -83.6 7.5 18.9 -25.0 100.6 144 151 A N T < 5S+ 0 0 136 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.729 77.8 128.1 61.2 33.0 16.0 -26.6 102.6 145 152 A L < + 0 0 81 -5,-2.7 58,-1.4 -6,-0.1 2,-0.3 0.355 51.0 75.9-100.1 4.5 13.6 -23.8 101.8 146 153 A L B S-A 202 0A 9 -6,-0.4 56,-0.3 56,-0.2 55,-0.1 -0.773 95.1 -84.9-112.8 158.1 10.7 -25.9 100.4 147 154 A K > - 0 0 72 54,-3.0 3,-2.1 -2,-0.3 -1,-0.1 -0.299 47.8-108.5 -59.0 147.7 8.2 -28.0 102.3 148 155 A D T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.805 115.4 43.2 -53.4 -38.4 9.5 -31.5 103.0 149 156 A D T 3 S+ 0 0 141 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.371 85.7 120.5 -93.9 7.2 7.3 -33.4 100.5 150 157 A V < - 0 0 17 -3,-2.1 2,-0.5 51,-0.1 -4,-0.1 -0.560 54.3-145.2 -76.8 129.4 7.7 -30.9 97.7 151 158 A D > - 0 0 85 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.862 6.8-143.6 -95.2 125.9 9.2 -32.2 94.5 152 159 A A H > S+ 0 0 10 -2,-0.5 4,-2.8 1,-0.2 -15,-0.2 0.834 98.0 51.6 -58.9 -44.0 11.4 -29.7 92.6 153 160 A H H > S+ 0 0 156 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 114.2 44.5 -57.8 -46.0 10.4 -30.8 89.1 154 161 A C H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.895 114.2 48.6 -67.5 -42.6 6.7 -30.5 90.0 155 162 A A H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.926 112.3 49.1 -59.4 -49.2 7.2 -27.2 91.8 156 163 A Q H X S+ 0 0 34 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.860 111.4 49.8 -58.3 -41.0 9.2 -25.8 88.8 157 164 A L H X S+ 0 0 114 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.912 112.5 45.7 -68.1 -43.8 6.5 -26.9 86.3 158 165 A S H X S+ 0 0 76 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.894 113.6 50.0 -69.2 -39.2 3.7 -25.3 88.3 159 166 A F H X S+ 0 0 4 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.960 111.1 49.1 -55.2 -54.3 5.7 -22.1 88.7 160 167 A F H X S+ 0 0 87 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.902 112.1 50.9 -52.2 -44.5 6.5 -22.1 84.9 161 168 A A H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.918 110.1 45.8 -62.5 -50.5 2.7 -22.6 84.3 162 169 A X H < S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 117.8 46.6 -63.3 -31.0 1.5 -19.7 86.5 163 170 A X H < S+ 0 0 24 -4,-2.0 -2,-0.2 -5,-0.2 4,-0.2 0.941 127.7 20.2 -74.6 -48.8 4.1 -17.4 85.1 164 171 A V H >X S+ 0 0 15 -4,-2.7 3,-1.6 -5,-0.2 4,-0.6 0.817 105.0 74.1 -97.2 -39.0 3.7 -18.2 81.4 165 172 A F H >X S+ 0 0 125 -4,-2.2 4,-2.3 -5,-0.4 3,-1.4 0.843 87.2 64.8 -53.5 -39.1 0.2 -19.7 80.8 166 173 A P H 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.870 106.5 44.9 -52.5 -32.7 -1.7 -16.4 81.3 167 174 A F H <4 S+ 0 0 9 -3,-1.6 -64,-0.3 -4,-0.2 -2,-0.2 0.545 113.8 49.7 -86.9 -12.8 0.0 -15.1 78.1 168 175 A I H << S+ 0 0 32 -3,-1.4 -1,-0.2 -4,-0.6 -3,-0.1 0.739 85.8 96.4 -96.3 -34.3 -0.5 -18.2 76.1 169 176 A V S < S- 0 0 14 -4,-2.3 5,-0.1 1,-0.1 -66,-0.1 -0.404 85.3-108.4 -60.0 128.6 -4.2 -18.7 76.7 170 177 A P >> - 0 0 61 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.312 21.7-122.6 -54.1 141.4 -6.4 -17.3 73.9 171 178 A E H 3> S+ 0 0 108 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.762 110.5 68.8 -55.7 -34.1 -8.2 -14.2 74.9 172 179 A N H 3> S+ 0 0 131 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.924 104.6 42.5 -47.8 -46.1 -11.5 -16.0 73.9 173 180 A L H <> S+ 0 0 83 -3,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.834 111.1 51.7 -78.2 -36.4 -10.9 -18.3 77.0 174 181 A L H ><>S+ 0 0 23 -4,-1.4 5,-2.9 2,-0.2 3,-0.7 0.941 110.5 51.0 -59.1 -46.2 -9.8 -15.6 79.5 175 182 A E H ><5S+ 0 0 134 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.863 102.8 59.9 -59.4 -38.1 -12.9 -13.7 78.6 176 183 A R H 3<5S+ 0 0 205 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.0 41.5 -61.6 -34.5 -15.1 -16.7 79.1 177 184 A V T <<5S- 0 0 99 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.167 127.0-100.9 -96.7 15.5 -13.9 -16.9 82.8 178 185 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.731 76.5 134.0 80.8 25.8 -14.2 -13.1 83.1 179 186 A I < + 0 0 44 -5,-2.9 2,-0.4 -8,-0.1 -1,-0.2 -0.928 30.9 178.5-116.9 130.8 -10.6 -12.1 82.8 180 187 A E - 0 0 150 -2,-0.5 2,-2.0 -6,-0.1 5,-0.1 -0.990 34.1-129.0-114.6 135.3 -8.8 -9.4 80.8 181 188 A L + 0 0 44 -2,-0.4 -2,-0.0 4,-0.1 -10,-0.0 -0.382 47.1 161.0 -81.9 61.8 -5.0 -9.3 81.3 182 189 A T > - 0 0 46 -2,-2.0 4,-2.7 1,-0.1 5,-0.2 -0.299 57.2-105.7 -70.7 162.2 -4.8 -5.6 82.1 183 190 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.913 124.4 52.3 -52.0 -40.9 -1.8 -4.1 83.9 184 191 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.882 110.6 45.1 -63.5 -43.0 -4.0 -3.9 87.0 185 192 A F H > S+ 0 0 55 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.877 111.8 52.1 -68.5 -38.4 -5.1 -7.5 86.8 186 193 A L H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.865 109.0 51.6 -67.6 -32.8 -1.5 -8.7 86.2 187 194 A Q H X S+ 0 0 141 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.908 112.8 44.5 -63.8 -44.8 -0.5 -6.7 89.3 188 195 A L H X S+ 0 0 81 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.948 114.2 50.5 -60.6 -48.8 -3.2 -8.4 91.3 189 196 A L H X S+ 0 0 31 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.851 107.9 52.0 -60.7 -38.8 -2.2 -11.7 89.8 190 197 A A H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.934 112.9 46.1 -59.2 -47.5 1.5 -11.2 90.7 191 198 A E H X S+ 0 0 90 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.928 114.8 46.9 -60.1 -49.2 0.4 -10.5 94.3 192 199 A Q H X S+ 0 0 98 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.880 114.6 44.8 -61.8 -43.1 -1.9 -13.5 94.4 193 200 A N H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.801 106.4 60.3 -77.3 -31.8 0.6 -16.0 92.9 194 201 A T H X S+ 0 0 15 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.954 111.4 41.6 -53.7 -48.2 3.4 -14.7 95.1 195 202 A R H X S+ 0 0 75 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.882 111.6 54.0 -71.3 -37.5 1.2 -15.8 98.0 196 203 A L H X S+ 0 0 100 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.918 111.9 45.9 -58.9 -45.6 0.1 -19.1 96.4 197 204 A L H X>S+ 0 0 6 -4,-2.4 4,-2.4 3,-0.2 5,-0.8 0.918 116.5 44.4 -64.1 -44.9 3.8 -20.0 95.9 198 205 A Q H X5S+ 0 0 97 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.968 122.6 35.0 -63.7 -56.6 4.9 -18.9 99.5 199 206 A R H <5S+ 0 0 180 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.819 123.0 48.9 -68.7 -33.3 2.0 -20.6 101.3 200 207 A G H <5S+ 0 0 38 -4,-2.0 -2,-0.2 -5,-0.5 -1,-0.2 0.884 131.2 4.6 -72.2 -42.6 1.9 -23.4 98.9 201 208 A L H <5S+ 0 0 34 -4,-2.4 -54,-3.0 -5,-0.2 -3,-0.2 0.680 104.6 85.2-122.9 -27.0 5.6 -24.5 98.7 202 209 A X B << A 146 0A 46 -4,-1.3 -56,-0.2 -5,-0.8 -57,-0.1 -0.471 360.0 360.0 -91.5 152.3 7.8 -22.6 101.1 203 210 A D 0 0 99 -58,-1.4 -55,-0.1 -2,-0.2 -4,-0.0 -0.206 360.0 360.0 171.1 360.0 8.9 -22.9 104.8