==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 11-SEP-13 4MNU . COMPND 2 MOLECULE: SLYA-LIKE TRANSCRIPTION REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR Y.KIM,C.TESAR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 301 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 77.4 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 . 16 5.3 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 . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.3 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 2 0 2 0 0 2 0 0 0 0 2 0 0 2 0 0 0 0 2 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A A 0 0 143 0, 0.0 3,-0.1 0, 0.0 257,-0.0 0.000 360.0 360.0 360.0 113.7 12.6 56.5 30.1 2 1 A X - 0 0 99 1,-0.1 260,-0.1 256,-0.1 259,-0.0 -0.207 360.0 -79.3 -71.0 164.8 16.0 57.2 31.5 3 2 A K - 0 0 110 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.334 48.9-119.2 -65.5 146.1 19.0 57.9 29.2 4 3 A D + 0 0 61 1,-0.1 4,-0.1 -3,-0.1 -1,-0.1 -0.744 36.6 166.6 -92.9 131.9 20.5 54.9 27.5 5 4 A I > + 0 0 0 -2,-0.4 4,-1.9 2,-0.1 5,-0.1 0.507 65.8 80.5-108.5 -13.9 24.2 54.0 28.1 6 5 A L H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 87.0 51.9 -68.2 -41.5 23.9 50.5 26.6 7 6 A R H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 112.5 46.4 -61.8 -43.9 24.1 51.3 22.9 8 7 A D H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 111.1 51.9 -66.4 -39.5 27.3 53.4 23.4 9 8 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.929 110.8 49.3 -61.5 -41.7 28.9 50.7 25.5 10 9 A G H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 112.8 45.2 -64.9 -44.0 28.1 48.1 22.8 11 10 A V H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.895 113.5 50.7 -68.5 -39.3 29.6 50.2 20.0 12 11 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.956 112.2 47.0 -60.9 -50.2 32.7 51.1 22.1 13 12 A A H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.894 113.8 46.8 -57.7 -45.8 33.3 47.4 22.9 14 13 A R H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.898 111.7 51.4 -67.3 -39.3 32.8 46.2 19.3 15 14 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 110.6 49.0 -62.1 -42.1 35.1 49.0 18.0 16 15 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 111.5 48.1 -65.8 -42.0 37.8 48.0 20.5 17 16 A D H X S+ 0 0 45 -4,-2.1 4,-2.9 1,-0.2 15,-0.2 0.880 110.2 53.2 -65.1 -38.0 37.7 44.3 19.6 18 17 A S H X S+ 0 0 11 -4,-2.1 4,-2.0 189,-0.3 -2,-0.2 0.903 109.3 47.8 -64.5 -42.4 37.8 45.2 15.9 19 18 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 113.4 48.4 -63.5 -45.0 40.9 47.3 16.3 20 19 A S H X S+ 0 0 3 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.930 109.8 51.6 -61.3 -46.2 42.5 44.5 18.4 21 20 A N H < S+ 0 0 31 -4,-2.9 4,-0.4 1,-0.2 3,-0.2 0.890 111.0 48.5 -58.9 -40.0 41.6 41.8 15.8 22 21 A I H >< S+ 0 0 76 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.914 112.7 47.5 -64.6 -41.5 43.2 43.9 13.1 23 22 A E H 3< S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.633 118.4 40.2 -80.2 -11.4 46.4 44.5 15.1 24 23 A F T ><>S+ 0 0 0 -4,-1.4 3,-2.2 -3,-0.2 5,-1.3 0.270 81.1 114.5-113.1 7.8 46.7 40.8 16.1 25 24 A K G X 5S+ 0 0 147 -3,-0.8 3,-0.5 -4,-0.4 5,-0.2 0.778 78.9 43.6 -51.0 -37.2 45.7 39.4 12.6 26 25 A E G 3 5S+ 0 0 155 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.440 106.9 62.6 -90.8 1.6 49.1 37.8 11.8 27 26 A L G < 5S- 0 0 63 -3,-2.2 -1,-0.2 71,-0.0 -2,-0.2 0.186 107.7-111.2-114.1 16.5 49.6 36.4 15.3 28 27 A N T < 5S+ 0 0 79 -3,-0.5 -3,-0.1 -4,-0.2 44,-0.1 0.819 93.9 106.1 55.4 33.8 46.7 33.9 15.6 29 28 A L X + 0 0 1 -5,-1.3 5,-1.6 -8,-0.1 -4,-0.2 0.255 52.1 96.0-124.3 8.0 45.2 36.1 18.2 30 29 A A T > 5 + 0 0 15 -6,-0.5 3,-2.2 3,-0.2 -9,-0.1 0.017 51.4 67.4 -83.5-163.0 42.4 37.6 16.2 31 30 A K T 3 5S- 0 0 161 1,-0.3 -1,-0.2 2,-0.1 -13,-0.1 0.822 133.5 -66.1 50.1 33.5 38.8 36.5 16.1 32 31 A G T >>5S+ 0 0 13 -15,-0.2 3,-1.1 -3,-0.1 4,-0.5 0.512 105.1 128.8 73.5 7.5 38.6 37.7 19.7 33 32 A Q H X>5 + 0 0 6 -3,-2.2 4,-1.6 1,-0.3 3,-0.8 0.798 57.5 71.6 -67.5 -28.0 41.1 35.0 20.8 34 33 A F H 3> S+ 0 0 23 -3,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.898 106.2 44.0 -60.6 -39.8 40.7 38.0 25.3 36 35 A Y H < S- 0 0 57 -4,-0.9 3,-1.9 -3,-0.2 -1,-0.3 -0.582 83.4-162.6-140.9 68.5 44.8 32.9 36.0 44 43 A Q T 3 S+ 0 0 104 -3,-0.4 46,-0.2 1,-0.3 -3,-0.1 -0.349 75.9 19.4 -66.1 129.7 47.0 29.9 35.2 45 44 A G T 3 S+ 0 0 18 44,-2.8 -1,-0.3 1,-0.3 45,-0.2 0.463 85.6 154.2 92.6 1.9 45.2 26.6 35.7 46 45 A I E < -A 89 0A 15 -3,-1.9 43,-2.4 43,-0.6 -1,-0.3 -0.265 41.4-125.4 -59.7 145.6 41.7 28.1 35.5 47 46 A I E >> -A 88 0A 44 41,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.663 22.0-111.9 -92.6 158.3 39.0 25.8 34.3 48 47 A Q H 3> S+ 0 0 40 39,-0.5 4,-2.5 1,-0.2 5,-0.2 0.871 114.7 58.0 -59.0 -38.2 36.8 26.7 31.3 49 48 A E H 3> S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 109.9 44.4 -59.5 -38.7 33.6 27.1 33.4 50 49 A K H <> S+ 0 0 115 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.863 111.2 53.0 -74.2 -36.4 35.4 29.7 35.6 51 50 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.876 106.7 53.9 -64.4 -37.2 36.9 31.5 32.6 52 51 A V H X>S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-1.2 0.897 107.5 50.6 -64.2 -38.7 33.4 31.7 31.1 53 52 A D H <5S+ 0 0 52 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.831 109.6 49.9 -70.7 -31.4 32.1 33.4 34.2 54 53 A I H <5S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 118.7 38.7 -68.4 -41.1 34.9 36.0 34.2 55 54 A L H <5S- 0 0 0 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.704 97.1-137.9 -84.2 -22.0 34.2 36.8 30.6 56 55 A K T <5 + 0 0 32 -4,-1.9 113,-0.3 1,-0.2 2,-0.2 0.882 59.0 132.3 61.1 43.0 30.4 36.6 30.7 57 56 A I < - 0 0 23 -5,-1.2 -1,-0.2 -6,-0.1 2,-0.2 -0.618 60.9 -91.8-114.6 171.7 30.4 34.8 27.4 58 57 A D > - 0 0 62 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.567 29.9-116.8 -88.0 157.3 28.6 31.6 26.3 59 58 A R H > S+ 0 0 90 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.862 110.7 52.9 -55.4 -44.4 30.0 28.1 26.6 60 59 A T H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 110.5 46.3 -65.1 -44.7 30.0 27.4 22.8 61 60 A T H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 114.9 46.5 -61.8 -46.3 31.9 30.5 21.9 62 61 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.889 110.0 54.6 -65.1 -40.8 34.5 30.0 24.6 63 62 A S H X S+ 0 0 55 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.937 108.8 47.9 -58.0 -48.1 34.9 26.4 23.7 64 63 A R H X S+ 0 0 176 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.902 113.4 47.4 -60.2 -43.8 35.6 27.3 20.0 65 64 A A H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.914 112.5 48.2 -66.6 -44.4 38.2 30.0 21.0 66 65 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.895 110.4 52.0 -64.1 -40.9 40.0 27.7 23.5 67 66 A K H X S+ 0 0 148 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.897 111.2 48.0 -62.1 -39.0 40.2 24.9 21.0 68 67 A N H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 109.9 50.9 -73.5 -37.4 41.7 27.2 18.4 69 68 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 6,-1.0 0.867 111.5 49.3 -61.8 -36.9 44.2 28.6 20.8 70 69 A E H ><5S+ 0 0 84 -4,-2.1 3,-1.0 4,-0.2 -2,-0.2 0.854 108.9 52.8 -68.9 -36.3 45.2 25.0 21.7 71 70 A K H 3<5S+ 0 0 158 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 109.9 48.4 -64.6 -38.7 45.5 24.2 18.0 72 71 A N T 3<5S- 0 0 42 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.248 116.2-111.8 -91.6 12.8 47.9 27.2 17.5 73 72 A G T < 5S+ 0 0 33 -3,-1.0 22,-0.4 2,-0.2 21,-0.3 0.772 85.5 114.8 67.7 31.3 50.1 26.3 20.4 74 73 A L S - 0 0 17 4,-0.2 3,-1.0 1,-0.1 6,-0.2 -0.920 9.3-163.8-117.6 105.0 42.7 17.8 36.5 81 80 A K T 3 S+ 0 0 201 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.643 90.7 51.8 -63.5 -14.8 43.2 15.4 39.4 82 81 A N T 3 S+ 0 0 138 1,-0.3 -1,-0.2 4,-0.1 2,-0.1 0.652 131.8 4.4 -98.8 -19.5 40.1 16.8 41.2 83 82 A N X - 0 0 50 -3,-1.0 3,-2.2 3,-0.2 -1,-0.3 -0.583 62.6-166.5-164.1 94.4 37.7 16.5 38.3 84 83 A K T 3 S+ 0 0 159 1,-0.3 -4,-0.2 -3,-0.2 3,-0.1 0.765 86.6 67.0 -64.1 -22.8 39.0 14.8 35.2 85 84 A K T 3 S+ 0 0 165 1,-0.2 2,-0.6 -6,-0.1 -1,-0.3 0.673 98.4 56.1 -67.8 -18.7 36.0 16.1 33.2 86 85 A N S < S- 0 0 36 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.2 -0.819 81.3-153.4-119.0 97.3 37.3 19.7 33.5 87 86 A K - 0 0 86 -2,-0.6 -39,-0.5 -3,-0.1 2,-0.4 -0.208 18.8-111.6 -70.1 154.7 40.8 20.3 32.3 88 87 A L E -AB 47 78A 40 -10,-2.9 -10,-2.8 -41,-0.1 2,-0.5 -0.690 26.7-138.6 -87.6 135.3 43.2 23.0 33.6 89 88 A L E +AB 46 77A 2 -43,-2.4 -44,-2.8 -2,-0.4 -43,-0.6 -0.847 28.3 168.3-101.2 122.6 44.0 25.8 31.1 90 89 A F E - B 0 76A 43 -14,-2.4 -14,-2.9 -2,-0.5 2,-0.2 -0.939 34.6-114.4-125.9 151.3 47.6 27.1 31.0 91 90 A P E - B 0 75A 9 0, 0.0 -16,-0.3 0, 0.0 2,-0.1 -0.565 30.8-127.1 -75.7 149.1 49.4 29.3 28.6 92 91 A T > - 0 0 31 -18,-1.9 4,-2.5 -2,-0.2 5,-0.2 -0.371 33.0 -98.2 -77.8 172.6 52.2 27.7 26.6 93 92 A E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.927 129.4 50.1 -55.6 -43.5 55.7 29.4 26.6 94 93 A K H > S+ 0 0 125 -21,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.932 108.8 51.3 -61.8 -47.0 54.7 31.0 23.3 95 94 A G H > S+ 0 0 0 -22,-0.4 4,-1.3 1,-0.2 3,-0.4 0.902 109.9 50.3 -54.4 -44.5 51.4 32.2 24.7 96 95 A Q H < S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 107.0 53.9 -64.3 -34.6 53.3 33.7 27.6 97 96 A Q H < S+ 0 0 149 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.750 112.1 44.8 -73.7 -21.2 55.8 35.5 25.4 98 97 A L H >X S+ 0 0 35 -4,-1.2 4,-1.3 -3,-0.4 3,-1.0 0.658 90.4 86.5 -94.3 -19.7 53.0 37.2 23.4 99 98 A Y H 3X S+ 0 0 59 -4,-1.3 4,-2.1 1,-0.2 3,-0.3 0.876 84.0 55.1 -47.8 -47.1 50.9 38.2 26.5 100 99 A P H 3> S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.810 103.7 56.4 -63.3 -27.0 52.8 41.5 27.0 101 100 A L H <> S+ 0 0 60 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.886 106.1 49.5 -67.3 -41.1 52.0 42.6 23.5 102 101 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 5,-0.2 0.936 112.2 48.5 -64.2 -44.6 48.3 42.1 24.1 103 102 A I H X S+ 0 0 30 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.922 111.7 49.2 -60.0 -46.0 48.5 44.2 27.2 104 103 A R H X S+ 0 0 152 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.909 112.6 47.2 -61.7 -42.7 50.4 47.0 25.5 105 104 A E H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.905 114.1 47.4 -65.5 -42.3 48.0 47.2 22.7 106 105 A N H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 110.8 52.3 -63.7 -43.7 45.0 47.2 25.1 107 106 A E H X S+ 0 0 123 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.871 108.5 51.4 -60.9 -38.1 46.7 49.9 27.2 108 107 A Y H X S+ 0 0 73 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.950 109.9 46.9 -67.5 -45.8 47.2 52.0 24.2 109 108 A S H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.861 110.0 55.5 -63.3 -33.9 43.6 51.8 23.0 110 109 A N H X S+ 0 0 6 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.925 106.6 50.1 -62.3 -43.8 42.6 52.6 26.6 111 110 A A H < S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.904 111.1 48.8 -59.9 -43.0 44.7 55.8 26.5 112 111 A V H >< S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.911 107.6 55.3 -61.1 -43.3 43.0 56.8 23.3 113 112 A A H 3< S+ 0 0 2 -4,-2.4 173,-0.2 1,-0.3 -1,-0.2 0.850 110.8 45.8 -58.0 -34.5 39.6 56.1 24.7 114 113 A L T >< S+ 0 0 5 -4,-1.6 3,-1.3 -5,-0.1 -1,-0.3 0.280 84.1 131.0 -97.1 10.7 40.4 58.5 27.6 115 114 A K T < S+ 0 0 110 -3,-1.6 3,-0.1 1,-0.2 171,-0.1 -0.232 70.1 20.3 -62.4 150.5 41.9 61.3 25.5 116 115 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 170,-0.0 -1,-0.2 0.331 95.0 129.5 74.0 -10.9 40.7 64.8 26.1 117 116 A F < - 0 0 26 -3,-1.3 -1,-0.3 1,-0.0 2,-0.1 -0.582 59.5-128.4 -76.7 137.4 39.5 63.8 29.5 118 117 A T > - 0 0 83 -2,-0.3 4,-0.9 -3,-0.1 -1,-0.0 -0.442 30.2-111.0 -66.1 153.5 40.4 65.8 32.5 119 118 A E H >> S+ 0 0 131 1,-0.2 4,-1.5 2,-0.2 3,-1.1 0.930 120.8 52.7 -54.0 -47.7 41.9 63.6 35.3 120 119 A A H 3> S+ 0 0 66 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.890 104.5 55.8 -55.6 -42.7 38.8 64.2 37.4 121 120 A E H 3> S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.735 105.3 53.9 -62.7 -23.9 36.6 63.1 34.5 122 121 A I H S+ 0 0 104 -4,-2.7 5,-1.5 1,-0.2 3,-0.2 0.925 116.5 39.9 -50.4 -49.3 20.3 34.9 37.3 143 142 A V H ><5S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.841 107.4 60.7 -76.3 -35.9 19.5 34.3 33.7 144 143 A K H 3<5S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 100.8 57.2 -61.1 -32.1 22.3 31.8 32.9 145 144 A K T 3<5S- 0 0 154 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.579 127.0 -99.4 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0.912 110.4 49.0 -62.7 -43.2 27.2 40.3 29.6 167 15 B L H X S+ 0 0 11 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.913 112.4 47.3 -63.8 -44.1 24.4 42.3 27.9 168 16 B D H X S+ 0 0 50 -4,-2.1 4,-2.7 2,-0.2 15,-0.2 0.902 110.3 53.0 -64.9 -40.7 24.7 40.4 24.7 169 17 B S H X S+ 0 0 11 -4,-2.5 4,-1.9 -113,-0.3 -2,-0.2 0.913 110.9 47.1 -57.8 -45.3 24.6 37.1 26.5 170 18 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 112.7 48.2 -63.5 -45.4 21.5 38.1 28.4 171 19 B S H X S+ 0 0 5 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.924 109.4 53.8 -62.5 -42.9 19.7 39.3 25.2 172 20 B N H < S+ 0 0 35 -4,-2.7 3,-0.2 1,-0.2 4,-0.2 0.879 110.0 47.3 -60.2 -40.1 20.7 36.1 23.4 173 21 B I H >< S+ 0 0 73 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.916 113.1 48.7 -65.8 -42.3 19.1 34.0 26.1 174 22 B E H 3< S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.620 117.9 39.4 -75.6 -12.0 15.9 36.1 26.1 175 23 B F T ><>S+ 0 0 0 -4,-1.3 3,-1.8 -3,-0.2 5,-1.4 0.223 81.3 115.0-115.6 10.1 15.5 36.0 22.3 176 24 B K G X 5S+ 0 0 145 -3,-0.9 3,-0.5 1,-0.3 5,-0.2 0.786 78.6 43.1 -56.4 -34.4 16.5 32.3 22.0 177 25 B E G 3 5S+ 0 0 155 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.476 107.0 62.4 -91.2 -1.8 13.2 31.1 20.8 178 26 B L G < 5S- 0 0 67 -3,-1.8 -1,-0.2 71,-0.0 -2,-0.2 0.144 108.2-109.7-113.9 18.0 12.5 34.0 18.4 179 27 B N T < 5S+ 0 0 73 -3,-0.5 -3,-0.1 -4,-0.1 44,-0.1 0.806 94.1 105.7 56.6 32.7 15.4 33.6 15.9 180 28 B L X + 0 0 0 -5,-1.4 5,-1.4 -8,-0.1 -4,-0.2 0.257 51.6 98.8-124.5 9.7 17.0 36.7 17.3 181 29 B A T > 5 + 0 0 17 -6,-0.5 3,-1.8 -5,-0.2 -9,-0.1 -0.047 50.9 65.3 -84.8-167.1 19.9 35.2 19.3 182 30 B K T 3 5S- 0 0 153 1,-0.3 -1,-0.2 2,-0.1 -13,-0.1 0.834 133.5 -64.9 54.4 33.7 23.5 34.8 18.2 183 31 B G T >>5S+ 0 0 13 -15,-0.2 3,-1.0 -3,-0.1 4,-0.5 0.517 104.3 128.8 73.0 7.4 23.6 38.6 18.3 184 32 B Q H X>5 + 0 0 3 -3,-1.8 4,-1.7 1,-0.2 3,-0.8 0.773 56.7 73.9 -67.0 -26.7 21.2 39.0 15.4 185 33 B F H 3> S+ 0 0 18 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.877 106.1 46.4 -62.9 -38.2 21.5 44.2 17.0 187 35 B Y H < S+ 0 0 19 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.884 115.6 45.0 -63.2 -38.7 14.3 48.9 11.4 193 41 B E H 3< S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.701 123.1 35.3 -80.2 -20.5 15.6 52.3 12.4 194 42 B N T >< S- 0 0 63 -4,-1.6 3,-1.9 -5,-0.1 -1,-0.3 -0.550 83.7-165.3-131.5 64.9 17.4 52.9 9.0 195 43 B Q T < S+ 0 0 106 -3,-0.5 46,-0.2 1,-0.3 -3,-0.1 -0.308 74.9 20.3 -61.2 129.8 15.2 51.2 6.5 196 44 B G T 3 S+ 0 0 18 44,-2.8 -1,-0.3 1,-0.3 45,-0.2 0.450 86.1 153.1 92.6 1.2 16.9 50.8 3.1 197 45 B I E < -C 240 0B 13 -3,-1.9 43,-2.3 43,-0.6 -1,-0.3 -0.302 42.3-124.9 -62.6 143.3 20.4 51.0 4.6 198 46 B I E > -C 239 0B 37 41,-0.2 4,-1.9 1,-0.1 3,-0.5 -0.569 22.0-111.8 -87.1 161.2 23.2 49.2 2.7 199 47 B Q H > S+ 0 0 34 39,-0.5 4,-2.6 1,-0.2 5,-0.2 0.865 113.1 55.2 -62.3 -38.5 25.4 46.6 4.5 200 48 B E H > S+ 0 0 119 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.858 110.1 47.5 -67.5 -29.8 28.6 48.6 4.4 201 49 B K H > S+ 0 0 131 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.883 111.0 51.4 -74.2 -38.6 26.9 51.5 6.1 202 50 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 107.8 52.7 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11.1 213 61 B A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.922 110.2 52.7 -62.0 -44.6 27.8 41.1 9.7 214 62 B S H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.912 108.6 50.2 -56.8 -45.0 27.3 39.0 6.5 215 63 B R H X S+ 0 0 188 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.930 113.8 44.7 -59.0 -47.4 26.6 35.8 8.6 216 64 B A H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.898 112.5 51.4 -65.7 -42.5 24.1 37.6 10.8 217 65 B I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.909 109.6 48.1 -62.9 -46.0 22.3 39.3 7.9 218 66 B K H X S+ 0 0 132 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.846 111.3 52.0 -67.0 -31.5 21.9 36.2 5.8 219 67 B N H X S+ 0 0 39 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.902 108.4 49.4 -71.2 -40.4 20.5 34.4 8.8 220 68 B L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-1.1 0.851 113.0 49.4 -60.7 -36.3 17.9 37.1 9.5 221 69 B E H ><5S+ 0 0 71 -4,-1.9 3,-1.5 4,-0.2 -2,-0.2 0.919 108.5 52.0 -67.8 -45.6 17.0 36.9 5.8 222 70 B K H 3<5S+ 0 0 166 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.870 110.4 49.1 -59.1 -37.0 16.7 33.1 6.1 223 71 B N T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.324 116.2-113.0 -90.3 9.4 14.4 33.5 9.0 224 72 B G T < 5S+ 0 0 34 -3,-1.5 22,-0.3 2,-0.2 21,-0.3 0.793 84.9 115.3 68.5 31.7 12.2 36.1 7.3 225 73 B L S - 0 0 20 4,-0.2 3,-1.0 3,-0.2 6,-0.2 -0.920 6.7-166.7-107.5 105.6 19.6 49.0 -5.3 232 80 B K T 3 S+ 0 0 173 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.721 87.1 51.8 -66.4 -20.3 19.2 50.8 -8.7 233 81 B N T 3 S+ 0 0 124 1,-0.3 -1,-0.3 4,-0.1 2,-0.2 0.636 127.2 13.9 -92.6 -16.3 22.2 53.0 -8.0 234 82 B N X - 0 0 71 -3,-1.0 3,-1.2 3,-0.1 -1,-0.3 -0.654 61.7-164.4-161.8 96.6 24.6 50.1 -7.2 235 83 B K T 3 S+ 0 0 171 1,-0.3 -4,-0.2 -3,-0.2 3,-0.2 0.828 89.6 58.6 -55.6 -35.1 23.6 46.5 -8.0 236 84 B K T 3 S+ 0 0 189 1,-0.2 2,-0.8 2,-0.0 -1,-0.3 0.797 100.3 60.0 -65.0 -31.3 26.3 45.1 -5.7 237 85 B N S < S- 0 0 37 -3,-1.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.707 77.4-160.9-107.8 83.5 24.9 46.8 -2.6 238 86 B K - 0 0 110 -2,-0.8 -39,-0.5 -3,-0.2 2,-0.3 -0.174 23.1-109.9 -61.2 150.7 21.4 45.7 -1.9 239 87 B L E -CD 198 229B 42 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-2,-0.1 2,-0.2 -276,-0.0 -1,-0.0 -0.854 17.1-138.4-108.2 133.8 49.1 51.3 11.0 300 148 B R - 0 0 24 -2,-0.4 2,-0.7 -10,-0.0 -10,-0.0 -0.525 14.7-124.9 -84.6 150.4 49.1 52.8 14.5 301 149 B S 0 0 108 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 -0.890 360.0 360.0 -90.4 113.3 52.1 53.7 16.5 302 150 B Y 0 0 91 -2,-0.7 -1,-0.2 -193,-0.0 -194,-0.1 0.227 360.0 360.0-149.0 360.0 51.8 51.9 19.8