==== 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 06-JUL-10 3NUF . COMPND 2 MOLECULE: PRD-CONTAINING TRANSCRIPTION REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 68.7 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 0 2 0 1 1 0 2 0 0 2 0 0 2 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 . 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 1 A X 0 0 112 0, 0.0 36,-0.0 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 134.2 6.3 39.1 22.9 2 2 A T - 0 0 118 35,-0.1 2,-0.0 38,-0.1 0, 0.0 -0.898 360.0-124.7 -88.7 127.7 7.0 42.2 20.9 3 3 A P - 0 0 34 0, 0.0 34,-0.3 0, 0.0 33,-0.1 -0.333 30.1-100.9 -65.1 152.8 10.6 41.8 19.5 4 4 A L - 0 0 86 32,-2.0 2,-0.5 29,-0.1 36,-0.1 -0.318 31.8-112.6 -63.3 152.6 13.0 44.6 20.3 5 5 A D + 0 0 164 31,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.817 59.4 138.5 -81.6 132.3 13.8 47.3 17.7 6 6 A A - 0 0 60 -2,-0.5 2,-0.5 2,-0.0 30,-0.1 -0.953 57.5-115.4-171.3 148.6 17.4 46.9 16.6 7 7 A N - 0 0 101 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.829 39.8-152.2 -84.3 126.1 19.9 46.9 13.7 8 8 A V - 0 0 40 -2,-0.5 2,-0.6 2,-0.0 24,-0.1 -0.924 14.3-169.0-109.6 127.4 21.3 43.3 13.6 9 9 A E - 0 0 189 -2,-0.5 -2,-0.0 23,-0.0 0, 0.0 -0.892 19.0-150.9-114.1 104.3 24.8 42.6 12.3 10 10 A L - 0 0 18 -2,-0.6 37,-0.0 1,-0.1 5,-0.0 -0.351 19.7-101.3 -79.8 150.1 25.1 38.9 11.8 11 11 A P > - 0 0 17 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.238 35.2-107.3 -64.5 153.4 28.4 36.9 12.0 12 12 A T H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 118.9 51.2 -45.8 -46.4 30.2 35.9 8.9 13 13 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 110.2 49.3 -66.4 -37.3 29.2 32.2 9.3 14 14 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.935 110.2 50.0 -66.4 -44.0 25.6 33.0 9.7 15 15 A K H X S+ 0 0 121 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.875 110.2 52.5 -59.9 -37.5 25.6 35.3 6.7 16 16 A A H X S+ 0 0 43 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.925 108.2 49.5 -60.3 -48.9 27.2 32.4 4.7 17 17 A X H X S+ 0 0 50 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.894 115.0 45.2 -55.7 -46.6 24.5 30.0 5.8 18 18 A I H >< S+ 0 0 5 -4,-2.4 3,-1.0 1,-0.2 5,-0.3 0.912 107.6 55.7 -64.0 -48.8 21.8 32.5 4.7 19 19 A E H 3< S+ 0 0 166 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 108.4 50.2 -56.6 -34.2 23.4 33.4 1.4 20 20 A Q H 3< S+ 0 0 166 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.647 93.3 93.9 -81.3 -18.4 23.4 29.7 0.5 21 21 A S S << S- 0 0 28 -3,-1.0 3,-0.3 -4,-0.7 -3,-0.0 -0.114 91.4-106.7 -65.5 170.7 19.7 29.2 1.4 22 22 A S S S+ 0 0 111 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.487 109.3 29.7 -87.2 4.9 17.0 29.5 -1.2 23 23 A D > + 0 0 54 -5,-0.3 4,-2.4 1,-0.1 -1,-0.3 -0.596 57.9 177.8-162.0 91.8 15.8 32.9 0.0 24 24 A A H > S+ 0 0 43 -3,-0.3 4,-2.9 1,-0.2 5,-0.3 0.863 82.7 59.2 -61.9 -35.4 18.3 35.1 1.7 25 25 A Q H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.966 112.5 37.1 -59.1 -55.4 15.7 37.9 2.2 26 26 A A H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 117.1 51.4 -70.5 -33.0 13.3 35.7 4.3 27 27 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.922 111.6 47.3 -69.2 -40.8 16.1 33.9 6.1 28 28 A T H X S+ 0 0 52 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.944 112.7 49.7 -62.3 -47.4 17.8 37.2 7.1 29 29 A A H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.913 112.3 48.3 -56.9 -42.4 14.4 38.6 8.2 30 30 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.927 111.8 47.0 -68.3 -49.4 13.7 35.5 10.3 31 31 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.937 113.9 49.2 -56.4 -47.2 17.1 35.3 12.0 32 32 A N H X S+ 0 0 34 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.922 110.8 50.9 -55.3 -46.4 16.8 39.0 12.8 33 33 A Y H X S+ 0 0 31 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.931 111.2 47.4 -57.7 -47.1 13.3 38.5 14.2 34 34 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.920 110.8 51.1 -64.6 -42.0 14.4 35.7 16.4 35 35 A I H X S+ 0 0 35 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.942 115.1 43.8 -60.0 -47.2 17.4 37.6 17.8 36 36 A K H X S+ 0 0 56 -4,-2.4 4,-2.0 -5,-0.2 -32,-2.0 0.876 113.1 50.0 -66.8 -38.6 15.1 40.6 18.6 37 37 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 -34,-0.3 -2,-0.2 0.943 113.2 46.5 -65.2 -46.9 12.4 38.5 20.1 38 38 A A H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 3,-0.4 0.938 110.0 54.2 -62.6 -42.1 14.9 36.7 22.3 39 39 A A H ><5S+ 0 0 17 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.866 103.5 55.4 -62.6 -37.2 16.5 40.0 23.3 40 40 A A H 3<5S+ 0 0 24 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.863 109.8 47.9 -61.4 -34.6 13.1 41.4 24.4 41 41 A A T 3<5S- 0 0 8 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.233 123.8-108.7 -84.7 8.3 12.9 38.2 26.7 42 42 A E T < 5S+ 0 0 170 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.816 76.4 134.0 62.7 37.2 16.5 38.9 27.9 43 43 A I < - 0 0 4 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.965 32.0-174.6-117.0 131.9 17.9 36.0 26.1 44 44 A H - 0 0 129 -2,-0.4 2,-0.4 70,-0.4 -9,-0.0 -0.962 13.6-142.2-128.5 145.9 21.1 36.3 24.1 45 45 A F - 0 0 31 -2,-0.4 2,-0.0 70,-0.1 69,-0.0 -0.888 15.4-129.2-104.8 136.3 22.9 33.8 21.8 46 46 A T > - 0 0 78 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.305 37.5-103.4 -66.9 162.5 26.6 33.4 21.5 47 47 A D H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.907 125.2 50.0 -61.2 -33.8 27.9 33.6 17.9 48 48 A L H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 112.0 47.4 -66.2 -44.9 28.2 29.7 18.0 49 49 A Q H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.890 108.3 55.8 -60.2 -38.7 24.7 29.3 19.3 50 50 A L H X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.866 105.0 52.6 -65.4 -34.8 23.5 31.7 16.7 51 51 A Q H X S+ 0 0 46 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.934 111.8 45.1 -60.1 -49.8 25.1 29.5 13.9 52 52 A V H X S+ 0 0 47 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.923 114.2 49.9 -63.8 -41.4 23.2 26.4 15.2 53 53 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.933 108.7 52.2 -60.2 -46.9 20.0 28.4 15.6 54 54 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.918 105.9 53.7 -59.9 -45.0 20.3 29.8 12.1 55 55 A N H X S+ 0 0 63 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.937 112.9 44.0 -56.1 -44.5 20.7 26.3 10.6 56 56 A H H X S+ 0 0 17 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.910 111.7 52.4 -70.2 -40.4 17.6 25.2 12.3 57 57 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.915 109.0 50.8 -62.0 -41.4 15.6 28.3 11.4 58 58 A I H X S+ 0 0 39 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.923 109.8 50.4 -61.1 -41.5 16.5 27.9 7.7 59 59 A E H X S+ 0 0 81 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.926 111.7 47.4 -61.1 -45.1 15.4 24.3 7.9 60 60 A X H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.915 111.7 50.2 -62.3 -46.0 12.0 25.4 9.4 61 61 A L H X S+ 0 0 25 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.933 109.3 52.9 -58.0 -43.3 11.6 28.1 6.8 62 62 A G H X S+ 0 0 32 -4,-2.6 4,-2.7 -5,-0.2 3,-0.5 0.935 109.7 47.2 -57.7 -43.9 12.3 25.6 4.1 63 63 A R H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.878 104.4 60.9 -67.8 -35.5 9.6 23.2 5.5 64 64 A S H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 115.5 34.9 -59.3 -30.0 7.1 26.1 5.8 65 65 A K H < S+ 0 0 115 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.833 122.2 42.0 -91.4 -39.0 7.5 26.5 2.0 66 66 A S H < S- 0 0 67 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.774 93.6-131.0 -83.4 -27.3 7.9 22.9 0.8 67 67 A G < + 0 0 66 -4,-2.4 -4,-0.1 1,-0.3 -3,-0.1 0.509 46.5 162.2 82.1 5.3 5.4 21.2 3.0 68 68 A E - 0 0 143 -6,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.348 47.4 -89.1 -59.9 143.6 7.9 18.5 4.0 69 69 A Q - 0 0 150 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.108 40.3 -96.9 -64.3 143.6 6.6 16.7 7.2 70 70 A L - 0 0 43 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.348 50.6-103.9 -45.5 126.1 7.4 17.8 10.7 71 71 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.407 51.4 -90.0 -57.9 132.8 10.4 15.7 11.9 72 72 A A + 0 0 33 92,-0.1 2,-0.3 -2,-0.1 97,-0.0 -0.137 58.2 178.0 -50.4 137.1 9.0 13.1 14.3 73 73 A V - 0 0 24 -3,-0.1 3,-0.1 32,-0.0 -1,-0.0 -0.976 30.5-145.9-146.6 144.5 8.9 14.3 17.8 74 74 A D > - 0 0 6 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.937 12.8-159.4-112.1 101.1 7.8 13.0 21.2 75 75 A P G > S+ 0 0 54 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.786 85.1 70.0 -55.1 -27.3 6.4 16.0 23.2 76 76 A T G > S+ 0 0 99 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.791 86.8 66.5 -63.2 -25.9 6.9 14.2 26.6 77 77 A X G < S+ 0 0 29 -3,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.608 99.7 52.1 -65.2 -13.6 10.6 14.5 26.1 78 78 A F G X S+ 0 0 27 -3,-2.3 3,-1.6 -4,-0.2 -1,-0.3 0.190 71.6 115.7-109.2 15.6 10.2 18.3 26.5 79 79 A A T < S+ 0 0 70 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.791 79.0 45.7 -57.2 -34.9 8.2 18.2 29.8 80 80 A E T 3 S+ 0 0 163 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.364 81.4 116.3 -99.2 11.1 10.9 20.0 31.7 81 81 A V S < S- 0 0 18 -3,-1.6 28,-0.1 1,-0.1 5,-0.1 -0.516 78.2 -99.6 -69.9 136.6 11.7 22.7 29.2 82 82 A S > - 0 0 29 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.276 21.2-125.1 -61.4 147.9 10.9 26.1 30.7 83 83 A Q H > S+ 0 0 120 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.853 109.6 59.8 -59.4 -37.2 7.6 27.6 29.7 84 84 A K H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 107.6 45.3 -60.4 -45.6 9.4 30.8 28.6 85 85 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 114.4 48.0 -63.5 -45.3 11.4 28.8 26.0 86 86 A L H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.895 112.6 49.1 -62.9 -42.0 8.4 26.9 24.8 87 87 A D H X S+ 0 0 92 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.905 111.5 48.2 -68.0 -42.1 6.3 30.1 24.5 88 88 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.930 112.9 49.4 -62.2 -45.1 9.0 31.9 22.5 89 89 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.920 109.5 51.4 -60.3 -43.5 9.4 28.9 20.2 90 90 A D H X S+ 0 0 53 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.915 108.2 52.3 -59.2 -41.9 5.6 28.8 19.7 91 91 A Q H X S+ 0 0 48 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 110.5 48.1 -61.3 -42.3 5.6 32.5 18.8 92 92 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.949 110.8 50.0 -64.4 -44.7 8.4 31.9 16.2 93 93 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 6,-0.2 0.936 113.9 45.5 -59.1 -46.7 6.6 28.9 14.6 94 94 A Q H < S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.5 55.4 -65.7 -37.6 3.4 30.8 14.3 95 95 A H H < S+ 0 0 98 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 108.4 47.5 -60.6 -43.8 5.2 33.8 12.9 96 96 A I H < S- 0 0 28 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.920 101.3-159.7 -63.6 -45.0 6.7 31.8 10.1 97 97 A G < + 0 0 22 -4,-2.1 3,-0.1 -5,-0.2 -2,-0.1 0.073 59.3 65.3 81.8 163.9 3.4 30.2 9.3 98 98 A H S S+ 0 0 177 1,-0.2 2,-0.3 -4,-0.1 -31,-0.2 0.778 81.8 115.1 53.9 34.1 2.5 27.0 7.5 99 99 A L S S- 0 0 23 -6,-0.2 -1,-0.2 -5,-0.1 2,-0.2 -0.924 71.5-103.6-125.1 156.6 4.1 24.9 10.1 100 100 A E > - 0 0 128 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.508 30.3-121.0 -76.6 144.9 2.9 22.3 12.6 101 101 A V T > S+ 0 0 76 1,-0.3 3,-2.2 -2,-0.2 -1,-0.1 0.864 107.9 66.3 -50.0 -44.9 2.6 23.5 16.2 102 102 A A T >> S+ 0 0 22 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.539 73.4 86.8 -66.2 -5.2 5.0 20.8 17.4 103 103 A E H <> S+ 0 0 8 -3,-2.0 4,-1.5 1,-0.3 -1,-0.3 0.753 76.3 76.3 -54.8 -24.9 7.9 22.4 15.6 104 104 A K H <> S+ 0 0 46 -3,-2.2 4,-2.4 -4,-0.2 -1,-0.3 0.773 81.9 65.1 -60.6 -29.4 8.1 24.4 18.8 105 105 A Y H <> S+ 0 0 45 -3,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.984 105.6 37.1 -64.8 -55.3 9.7 21.5 20.8 106 106 A V H >X S+ 0 0 65 -4,-0.5 3,-0.9 1,-0.2 4,-0.6 0.929 117.8 53.4 -63.0 -40.7 13.0 21.2 19.0 107 107 A L H >X S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 4,-1.1 0.906 98.8 64.5 -61.9 -35.6 13.2 25.0 18.6 108 108 A S H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.809 91.1 64.4 -58.3 -30.4 12.6 25.5 22.3 109 109 A I H <>S+ 0 0 10 -4,-2.4 5,-2.3 1,-0.2 3,-0.6 0.925 110.5 47.8 -63.6 -45.1 16.8 26.9 26.7 113 113 A A H ><5S+ 0 0 13 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.877 106.8 56.8 -62.6 -39.9 20.5 26.5 25.8 114 114 A A H 3<5S+ 0 0 13 -4,-1.8 -70,-0.4 1,-0.3 -1,-0.2 0.739 107.5 48.8 -65.5 -23.1 20.9 30.2 25.4 115 115 A Q T <<5S- 0 0 44 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.366 114.1-119.2 -90.5 -0.4 19.6 30.8 28.9 116 116 A D T < 5S+ 0 0 144 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.938 75.0 132.0 56.3 46.9 22.0 28.1 30.3 117 117 A K < 0 0 99 -5,-2.3 -4,-0.2 -6,-0.1 -35,-0.1 0.284 360.0 360.0-110.5 8.5 19.0 26.1 31.5 118 118 A I 0 0 89 -6,-0.3 -1,-0.1 -5,-0.2 -2,-0.0 -0.910 360.0 360.0-112.2 360.0 20.1 22.7 30.1 119 !* 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 0.0 120 7 B N 0 0 138 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 44.4 13.4 -10.6 13.4 121 8 B V - 0 0 51 0, 0.0 2,-0.7 0, 0.0 24,-0.1 -0.940 360.0-116.8-121.0 150.1 11.1 -8.2 15.4 122 9 B E - 0 0 131 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.769 35.5-147.8 -90.9 112.0 7.6 -7.0 14.1 123 10 B L - 0 0 17 -2,-0.7 5,-0.0 1,-0.1 37,-0.0 -0.501 19.2 -99.1 -86.4 148.9 7.8 -3.3 13.7 124 11 B P > - 0 0 20 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.192 38.0-110.9 -58.2 152.6 4.9 -0.7 14.1 125 12 B T H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 117.3 48.9 -58.3 -41.8 3.1 0.3 10.9 126 13 B E H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 109.5 53.2 -67.1 -34.7 4.5 3.9 11.0 127 14 B V H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.940 110.5 47.1 -64.3 -48.2 8.0 2.7 11.6 128 15 B K H X S+ 0 0 81 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.908 110.4 53.2 -61.4 -39.0 7.7 0.4 8.6 129 16 B A H X S+ 0 0 41 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.914 108.3 49.9 -63.4 -41.3 6.3 3.3 6.5 130 17 B X H X S+ 0 0 23 -4,-2.3 4,-0.5 2,-0.2 3,-0.2 0.924 109.8 51.0 -61.1 -43.8 9.3 5.5 7.5 131 18 B I H >< S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.944 108.8 51.8 -61.0 -38.3 11.7 2.7 6.5 132 19 B E H 3< S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.9 56.1 -70.0 -25.5 9.9 2.5 3.1 133 20 B Q H 3< S+ 0 0 117 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.585 95.2 95.0 -78.5 -12.5 10.3 6.3 2.6 134 21 B S S << S- 0 0 24 -3,-1.3 3,-0.4 -4,-0.5 -3,-0.0 -0.344 82.7-122.8 -83.7 165.8 14.0 5.9 3.0 135 22 B S S S+ 0 0 132 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.666 106.7 34.6 -77.0 -13.5 16.7 5.4 0.4 136 23 B D > + 0 0 48 -5,-0.2 4,-2.7 1,-0.1 -1,-0.3 -0.676 61.9 170.9-148.6 76.0 18.0 2.1 1.9 137 24 B A H > S+ 0 0 30 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.805 80.2 56.3 -63.6 -32.7 15.1 0.1 3.4 138 25 B Q H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.972 113.5 37.8 -62.0 -52.9 17.4 -3.0 3.8 139 26 B A H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.867 116.1 53.0 -69.8 -36.6 19.9 -1.1 5.9 140 27 B A H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.901 110.8 47.2 -65.0 -42.5 17.3 1.0 7.8 141 28 B T H X S+ 0 0 48 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.932 113.4 47.9 -62.5 -48.1 15.4 -2.2 8.7 142 29 B A H X S+ 0 0 45 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.914 112.8 49.5 -57.1 -41.9 18.6 -3.8 9.9 143 30 B L H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.925 111.1 47.2 -67.0 -46.2 19.6 -0.8 11.9 144 31 B V H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.934 113.5 49.5 -61.6 -44.2 16.3 -0.4 13.6 145 32 B N H X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.936 110.2 51.3 -55.0 -47.4 16.3 -4.1 14.5 146 33 B Y H X S+ 0 0 55 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.915 111.4 47.1 -59.4 -45.8 19.9 -3.8 15.8 147 34 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.914 110.8 50.5 -66.3 -42.5 19.0 -0.9 18.1 148 35 B I H X S+ 0 0 39 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.922 114.7 44.8 -61.5 -44.8 15.8 -2.5 19.5 149 36 B K H X S+ 0 0 97 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 113.2 49.9 -67.2 -40.2 17.8 -5.7 20.3 150 37 B L H X S+ 0 0 26 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.928 114.5 44.5 -63.8 -47.0 20.7 -3.8 21.8 151 38 B A H <>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 3,-0.4 0.908 111.5 52.5 -62.1 -45.8 18.4 -1.8 23.9 152 39 B A H ><5S+ 0 0 38 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.880 105.0 55.5 -60.3 -37.0 16.4 -4.8 25.0 153 40 B A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.4 48.6 -66.4 -29.2 19.6 -6.7 26.0 154 41 B A T 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.188 124.2-107.2 -91.2 13.3 20.2 -3.6 28.3 155 42 B E T < 5S+ 0 0 164 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.835 78.6 131.2 63.7 36.6 16.6 -3.8 29.7 156 43 B I < - 0 0 3 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.980 31.7-179.4-122.2 127.9 15.5 -0.7 27.7 157 44 B H - 0 0 127 -2,-0.4 2,-0.4 70,-0.4 -9,-0.0 -0.931 15.9-139.1-128.7 152.4 12.3 -0.8 25.7 158 45 B F - 0 0 33 -2,-0.3 2,-0.0 70,-0.0 69,-0.0 -0.893 12.8-129.9-112.8 140.3 10.5 1.8 23.5 159 46 B T > - 0 0 77 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.314 41.2 -99.4 -73.3 167.8 6.9 2.7 23.2 160 47 B D H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.920 126.8 49.2 -60.3 -40.0 5.5 2.8 19.6 161 48 B L H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 111.0 48.2 -61.9 -46.3 5.8 6.6 19.7 162 49 B Q H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.907 111.5 51.6 -59.6 -39.4 9.4 6.5 21.0 163 50 B L H X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.884 108.0 51.3 -67.3 -39.5 10.2 3.9 18.4 164 51 B Q H X S+ 0 0 53 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.936 113.0 44.5 -60.9 -46.3 8.8 6.2 15.7 165 52 B V H X S+ 0 0 10 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.925 115.9 47.9 -64.9 -43.7 10.9 9.1 16.9 166 53 B L H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.916 108.6 54.6 -61.0 -45.3 14.0 6.9 17.2 167 54 B T H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.918 106.9 49.9 -58.4 -47.6 13.5 5.4 13.8 168 55 B N H X S+ 0 0 34 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.936 112.1 48.7 -60.9 -40.8 13.4 8.8 12.1 169 56 B H H X S+ 0 0 24 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.928 112.1 48.6 -60.7 -47.0 16.6 9.8 13.9 170 57 B L H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.877 108.9 52.9 -63.9 -38.8 18.3 6.5 12.9 171 58 B I H X S+ 0 0 30 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.921 111.9 45.2 -63.4 -39.7 17.3 6.9 9.3 172 59 B E H X S+ 0 0 86 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.889 111.6 52.5 -73.2 -34.2 18.8 10.3 9.2 173 60 B X H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.3 0.976 110.2 48.5 -60.4 -48.4 21.9 9.1 11.0 174 61 B L H X S+ 0 0 24 -4,-2.9 4,-1.2 1,-0.3 -2,-0.2 0.885 108.4 55.1 -58.0 -44.3 22.3 6.4 8.4 175 62 B G H X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 3,-0.4 0.907 108.6 47.1 -55.1 -44.6 21.8 8.9 5.7 176 63 B R H X S+ 0 0 17 -4,-2.2 4,-2.4 -3,-0.3 -2,-0.2 0.852 106.2 58.5 -66.0 -34.6 24.7 11.0 7.0 177 64 B S H < S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.755 115.3 37.6 -66.2 -25.9 26.9 7.9 7.3 178 65 B K H < S+ 0 0 116 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.831 123.0 38.4 -89.1 -43.3 26.4 7.5 3.6 179 66 B S H < S- 0 0 66 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.763 95.8-128.2 -81.3 -30.3 26.5 11.1 2.3 180 67 B G < + 0 0 53 -4,-2.4 -4,-0.1 1,-0.3 -3,-0.1 0.379 56.4 148.7 90.7 -3.3 29.2 12.5 4.6 181 68 B E - 0 0 141 -6,-0.3 2,-0.4 -5,-0.1 -1,-0.3 -0.317 31.4-155.1 -62.7 145.7 26.9 15.4 5.7 182 69 B Q - 0 0 134 -3,-0.1 3,-0.1 30,-0.1 -1,-0.0 -0.947 8.9-131.1-123.3 144.2 27.4 16.7 9.2 183 70 B L - 0 0 86 -2,-0.4 3,-0.1 1,-0.1 -131,-0.0 -0.502 46.6 -78.7 -80.0 163.0 25.1 18.5 11.5 184 71 B P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -132,-0.0 -0.278 64.4 -85.1 -59.2 151.4 26.1 21.6 13.3 185 72 B A - 0 0 83 -3,-0.1 2,-0.2 1,-0.1 -133,-0.1 -0.279 42.3-140.5 -62.2 139.6 28.3 21.0 16.3 186 73 B V - 0 0 55 -3,-0.1 3,-0.1 -134,-0.0 -1,-0.1 -0.597 17.9-116.6 -94.2 159.6 26.6 20.2 19.6 187 74 B D > - 0 0 70 -2,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.874 22.5-157.0 -95.3 107.6 27.8 21.6 22.9 188 75 B P G > S+ 0 0 64 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.771 85.5 70.9 -62.0 -22.4 28.7 18.5 24.9 189 76 B T G > S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.793 86.1 67.8 -62.8 -23.0 28.3 20.2 28.2 190 77 B X G < S+ 0 0 44 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.782 98.2 53.5 -64.6 -23.5 24.6 20.1 27.6 191 78 B F G X S+ 0 0 23 -3,-1.6 3,-1.6 -4,-0.4 -1,-0.3 0.225 72.3 111.6-100.0 14.4 24.7 16.3 27.9 192 79 B A T < S+ 0 0 83 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.726 76.7 51.5 -60.8 -27.7 26.5 16.3 31.3 193 80 B E T 3 S+ 0 0 131 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.2 0.466 82.4 111.4 -91.8 -1.3 23.4 14.9 33.1 194 81 B V S < S- 0 0 21 -3,-1.6 28,-0.1 1,-0.1 5,-0.1 -0.508 77.2-106.0 -74.4 135.2 22.8 12.0 30.7 195 82 B S > - 0 0 30 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.230 18.5-124.4 -59.1 150.0 23.5 8.6 32.2 196 83 B Q H > S+ 0 0 125 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 110.5 59.5 -63.4 -36.4 26.6 6.8 31.3 197 84 B K H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 107.6 44.8 -59.0 -45.3 24.6 3.8 30.2 198 85 B S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 114.4 48.4 -66.0 -44.4 22.7 5.8 27.7 199 86 B L H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.891 112.0 49.8 -60.3 -42.4 25.8 7.5 26.3 200 87 B D H X S+ 0 0 88 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.910 111.0 48.2 -66.0 -42.7 27.6 4.2 26.0 201 88 B L H X S+ 0 0 15 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.930 113.1 49.0 -62.1 -43.9 24.7 2.6 24.1 202 89 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 109.7 51.0 -63.2 -42.7 24.6 5.6 21.8 203 90 B D H X S+ 0 0 54 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.902 108.3 52.8 -61.1 -40.7 28.3 5.4 21.2 204 91 B Q H X S+ 0 0 91 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.888 110.1 47.7 -65.0 -36.6 28.0 1.7 20.4 205 92 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.949 111.7 49.9 -67.1 -47.1 25.2 2.5 17.8 206 93 B V H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 6,-0.2 0.911 114.4 44.2 -57.3 -48.4 27.2 5.4 16.2 207 94 B Q H < S+ 0 0 103 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.849 110.3 55.7 -70.3 -33.4 30.3 3.2 15.9 208 95 B H H < S+ 0 0 101 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.901 110.2 45.4 -59.9 -47.6 28.3 0.2 14.6 209 96 B I H < S- 0 0 30 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.945 102.3-162.6 -63.9 -45.6 26.9 2.4 11.7 210 97 B G < + 0 0 20 -4,-2.2 3,-0.1 -5,-0.2 -2,-0.1 0.072 56.7 66.2 82.7 164.6 30.3 3.8 11.0 211 98 B H S S+ 0 0 177 1,-0.2 2,-0.3 -4,-0.1 -31,-0.2 0.765 79.4 119.6 55.6 33.8 31.4 6.8 9.0 212 99 B L S S- 0 0 29 -6,-0.2 -1,-0.2 -5,-0.0 2,-0.2 -0.846 72.8 -96.2-121.1 158.5 29.9 9.2 11.5 213 100 B E > - 0 0 72 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.485 34.5-125.6 -63.9 137.8 31.2 12.0 13.8 214 101 B V G > S+ 0 0 88 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.895 107.6 66.2 -53.4 -38.1 31.8 10.7 17.3 215 102 B A G > S+ 0 0 42 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.573 72.5 89.2 -68.4 -4.1 29.6 13.4 18.7 216 103 B E G <> S+ 0 0 16 -3,-2.1 4,-1.2 1,-0.3 -1,-0.3 0.735 74.9 74.9 -60.3 -17.6 26.5 11.9 17.0 217 104 B K H <> S+ 0 0 47 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.3 0.799 82.7 66.4 -63.7 -29.5 26.3 9.9 20.3 218 105 B Y H <> S+ 0 0 47 -3,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.959 104.5 36.2 -65.4 -57.2 25.0 12.9 22.2 219 106 B V H >> S+ 0 0 61 -4,-0.5 3,-1.0 1,-0.2 4,-0.8 0.923 117.5 54.8 -64.3 -37.6 21.5 13.5 20.7 220 107 B L H >X S+ 0 0 0 -4,-1.2 4,-1.4 1,-0.3 3,-0.9 0.896 99.0 62.1 -61.1 -37.4 21.0 9.7 20.2 221 108 B S H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -1,-0.3 0.807 93.5 63.9 -58.2 -29.5 21.7 9.2 23.9 222 109 B I H <>S+ 0 0 11 -4,-2.5 5,-2.9 1,-0.2 3,-0.5 0.874 109.3 51.4 -66.5 -37.8 17.5 8.2 28.3 226 113 B A H ><5S+ 0 0 9 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.871 104.9 56.6 -62.9 -38.3 13.8 9.0 27.5 227 114 B A H 3<5S+ 0 0 16 -4,-1.9 -70,-0.4 1,-0.3 -1,-0.2 0.717 107.7 49.1 -71.5 -16.9 13.0 5.4 27.1 228 115 B Q T <<5S- 0 0 43 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.280 115.5-116.9 -97.3 6.4 14.3 4.8 30.7 229 116 B D T < 5S+ 0 0 148 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.845 78.8 126.7 57.9 37.2 12.2 7.7 32.0 230 117 B K < 0 0 112 -5,-2.9 -4,-0.2 -8,-0.1 -5,-0.1 0.337 360.0 360.0-108.7 6.3 15.4 9.6 32.9 231 118 B I 0 0 116 -6,-0.3 -152,-0.1 -5,-0.1 -37,-0.0 -0.751 360.0 360.0 -80.8 360.0 14.9 12.9 31.2