==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, PROTEIN BINDING 25-NOV-03 1RLI . COMPND 2 MOLECULE: TRP REPRESSOR BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.KIM,P.QUARTEY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL . 645 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 0.6 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 . 64 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 8 0 4 0 7 6 3 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 0 4 4 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 . 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A K 0 0 173 0, 0.0 46,-1.9 0, 0.0 47,-1.3 0.000 360.0 360.0 360.0 -29.8 26.8 53.3 50.2 2 3 A I E -a 48 0A 6 44,-0.2 27,-2.6 24,-0.2 2,-0.4 -0.955 360.0-156.9-129.8 149.1 30.0 51.2 50.5 3 4 A A E -ab 49 29A 1 45,-2.6 47,-2.7 -2,-0.3 2,-0.6 -0.960 11.8-148.4-129.2 144.8 32.3 50.5 53.4 4 5 A V E -ab 50 30A 1 25,-3.0 27,-3.0 -2,-0.4 2,-0.9 -0.953 14.3-158.5-106.6 118.3 35.9 49.4 53.8 5 6 A I E -ab 51 31A 0 45,-3.4 47,-2.7 -2,-0.6 2,-0.6 -0.878 14.0-160.6 -99.8 103.8 36.3 47.2 56.9 6 7 A N E -ab 52 32A 2 25,-3.4 27,-1.9 -2,-0.9 47,-0.2 -0.799 19.0-171.9 -94.3 119.2 40.0 47.5 57.6 7 8 A G S S+ 0 0 2 45,-3.2 56,-0.4 -2,-0.6 57,-0.3 0.290 74.7 62.6 -88.3 7.8 41.5 44.8 59.8 8 9 A G S S- 0 0 18 44,-0.3 2,-0.3 1,-0.1 -2,-0.1 0.009 96.6 -91.6-103.8-143.4 44.8 46.7 60.0 9 10 A T - 0 0 91 -2,-0.1 2,-1.1 23,-0.1 4,-0.3 -0.834 42.8 -89.0-129.3 166.9 45.2 50.2 61.5 10 11 A R S S+ 0 0 200 -2,-0.3 22,-0.0 1,-0.2 0, 0.0 -0.704 80.2 122.6 -78.9 106.0 45.0 53.6 59.9 11 12 A S S S- 0 0 82 -2,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.420 79.2-110.9-145.2 -3.0 48.7 53.9 58.9 12 13 A G + 0 0 59 -3,-0.3 124,-0.1 1,-0.1 -2,-0.1 0.859 68.6 152.5 69.2 32.8 48.9 54.5 55.2 13 14 A G > - 0 0 14 -4,-0.3 4,-2.5 122,-0.1 5,-0.2 -0.200 62.5 -80.6 -87.7-177.2 50.4 51.0 54.9 14 15 A N H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.853 128.5 48.5 -53.3 -43.8 50.3 48.5 52.0 15 16 A T H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 112.7 49.2 -66.2 -39.7 46.8 47.2 52.7 16 17 A D H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 108.7 53.1 -65.7 -39.2 45.4 50.8 53.0 17 18 A V H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.952 112.0 44.8 -61.4 -47.1 47.1 51.8 49.7 18 19 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.901 113.0 50.4 -64.6 -41.5 45.5 48.9 47.9 19 20 A A H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 3,-0.5 0.912 108.7 52.2 -64.3 -41.7 42.1 49.5 49.4 20 21 A E H X S+ 0 0 82 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.872 102.4 59.2 -63.6 -35.6 42.1 53.1 48.5 21 22 A K H < S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 107.9 48.3 -60.3 -33.2 42.9 52.3 44.9 22 23 A A H < S+ 0 0 0 -4,-1.1 130,-0.3 -3,-0.5 -1,-0.2 0.824 117.2 37.4 -78.1 -33.5 39.7 50.4 44.9 23 24 A V H >X S+ 0 0 1 -4,-1.5 3,-2.5 -3,-0.1 4,-0.5 0.337 78.7 135.4-103.3 8.6 37.4 53.0 46.4 24 25 A Q T 3< S+ 0 0 119 -4,-1.0 -3,-0.0 1,-0.3 -4,-0.0 -0.331 78.9 15.4 -56.8 129.1 38.8 56.1 44.8 25 26 A G T 34 S+ 0 0 82 3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.397 107.2 89.2 87.4 -4.8 36.0 58.2 43.6 26 27 A F T <4 S- 0 0 69 -3,-2.5 -24,-0.2 2,-0.0 -2,-0.2 0.548 82.9-138.5 -99.7 -12.7 33.4 56.3 45.7 27 28 A D < - 0 0 160 -4,-0.5 -25,-0.2 1,-0.1 -3,-0.1 0.970 38.2-172.7 50.3 57.6 33.7 58.4 48.9 28 29 A A - 0 0 10 -5,-0.4 2,-0.5 -27,-0.1 -25,-0.2 -0.350 27.6-105.8 -81.3 162.2 33.5 55.2 50.9 29 30 A E E -b 3 0A 62 -27,-2.6 -25,-3.0 -2,-0.1 2,-0.7 -0.777 30.9-148.0 -88.7 127.2 33.2 54.8 54.7 30 31 A H E -b 4 0A 68 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.872 13.7-172.5-101.7 115.7 36.4 53.7 56.2 31 32 A I E -b 5 0A 3 -27,-3.0 -25,-3.4 -2,-0.7 2,-0.8 -0.935 5.1-165.1-109.1 115.9 36.0 51.5 59.3 32 33 A Y E b 6 0A 81 -2,-0.6 -25,-0.2 -27,-0.2 -22,-0.1 -0.858 360.0 360.0-103.0 101.8 39.3 50.7 61.2 33 34 A L 0 0 48 -27,-1.9 31,-0.1 -2,-0.8 30,-0.1 -0.184 360.0 360.0 -57.3 360.0 38.6 47.9 63.6 34 ! 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 35 58 A D > 0 0 140 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 35.1 32.3 50.2 69.4 36 59 A Y H > + 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 360.0 49.5 -56.2 -48.9 31.3 46.8 67.9 37 60 A D H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 110.2 51.3 -60.4 -38.7 27.6 47.6 67.9 38 61 A S H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 109.5 51.0 -64.7 -38.8 28.3 50.9 66.3 39 62 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.914 107.5 52.2 -66.2 -42.0 30.3 49.2 63.6 40 63 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 109.2 50.5 -61.7 -40.8 27.6 46.7 62.8 41 64 A E H X S+ 0 0 120 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.916 110.6 49.4 -64.0 -42.9 25.0 49.5 62.4 42 65 A R H >< S+ 0 0 80 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.922 113.0 45.4 -64.6 -42.7 27.3 51.3 60.0 43 66 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.868 103.3 63.9 -70.8 -32.1 28.0 48.3 57.8 44 67 A L H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.726 99.8 55.6 -62.5 -18.5 24.3 47.3 57.8 45 68 A Q T << S+ 0 0 153 -3,-0.8 2,-0.4 -4,-0.7 -1,-0.3 0.528 94.8 80.0 -91.3 -6.5 23.7 50.5 55.9 46 69 A C < - 0 0 0 -3,-1.7 -44,-0.2 -4,-0.3 3,-0.1 -0.827 60.1-159.6-103.6 137.3 26.1 49.8 53.1 47 70 A H S S+ 0 0 96 -46,-1.9 44,-2.6 -2,-0.4 2,-0.5 0.685 82.2 52.9 -89.1 -15.5 25.4 47.5 50.2 48 71 A I E -ac 2 91A 16 -47,-1.3 -45,-2.6 42,-0.2 2,-0.5 -0.980 67.7-171.0-120.8 127.1 29.0 46.9 49.2 49 72 A L E -ac 3 92A 1 42,-2.6 44,-2.1 -2,-0.5 2,-0.6 -0.973 5.4-165.1-121.2 127.2 31.5 45.7 51.9 50 73 A I E -ac 4 93A 0 -47,-2.7 -45,-3.4 -2,-0.5 2,-0.8 -0.958 8.1-155.6-113.8 115.5 35.2 45.5 51.3 51 74 A F E -ac 5 94A 0 42,-3.0 44,-2.7 -2,-0.6 2,-0.5 -0.833 15.8-174.0 -93.5 111.9 37.1 43.4 53.8 52 75 A A E +ac 6 95A 0 -47,-2.7 -45,-3.2 -2,-0.8 -44,-0.3 -0.930 12.7 157.5-113.0 121.3 40.7 44.7 53.8 53 76 A T E - c 0 96A 0 42,-2.7 44,-1.5 -2,-0.5 2,-0.1 -0.996 41.1-123.6-146.7 145.3 43.3 42.9 55.8 54 77 A P E - c 0 97A 19 0, 0.0 2,-0.6 0, 0.0 44,-0.2 -0.501 44.8-109.2 -75.9 161.1 47.0 42.4 56.0 55 78 A I - 0 0 28 42,-2.6 2,-0.5 -2,-0.1 44,-0.3 -0.852 37.7-176.5 -97.4 120.7 47.8 38.7 55.9 56 79 A Y B > S-E 59 0B 104 3,-1.9 3,-1.3 -2,-0.6 511,-0.1 -0.981 71.7 -17.2-116.4 122.2 49.1 37.3 59.2 57 80 A W T 3 S- 0 0 23 -2,-0.5 557,-0.2 1,-0.3 -1,-0.2 0.901 125.9 -55.9 50.7 46.2 50.2 33.6 59.3 58 81 A F T 3 S+ 0 0 14 1,-0.2 -1,-0.3 555,-0.1 2,-0.2 0.714 127.4 77.5 61.3 25.8 48.4 32.9 56.0 59 82 A G B < S-E 56 0B 1 -3,-1.3 -3,-1.9 1,-0.2 -1,-0.2 -0.725 90.1 -69.6-143.1-167.9 45.1 34.2 57.5 60 83 A M - 0 0 13 -2,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 -0.209 64.5 -76.0 -83.0-179.6 43.4 37.5 58.3 61 84 A S > - 0 0 0 -7,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.365 39.4-117.0 -71.3 160.0 44.5 39.9 61.0 62 85 A G H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 115.9 56.5 -64.3 -33.5 43.6 38.9 64.6 63 86 A T H > S+ 0 0 68 -56,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.919 109.2 43.0 -65.2 -43.8 41.5 42.0 64.8 64 87 A L H > S+ 0 0 0 -57,-0.3 4,-2.6 2,-0.2 5,-0.3 0.884 112.3 55.3 -69.8 -36.7 39.3 41.0 61.7 65 88 A K H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.954 108.2 47.4 -59.6 -48.7 39.2 37.4 63.0 66 89 A L H X S+ 0 0 63 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.855 112.6 51.5 -61.4 -34.0 37.8 38.6 66.4 67 90 A F H < S+ 0 0 10 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.938 112.5 42.2 -69.0 -50.9 35.2 40.8 64.6 68 91 A I H >< S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.894 110.6 58.2 -65.2 -36.5 33.9 38.2 62.2 69 92 A D H >< S+ 0 0 6 -4,-2.5 3,-1.9 -5,-0.3 4,-0.3 0.898 98.6 60.4 -59.8 -37.0 33.8 35.6 65.1 70 93 A R T >X S+ 0 0 82 -4,-1.4 4,-1.8 1,-0.3 3,-1.3 0.659 81.3 82.6 -66.1 -14.5 31.5 38.0 67.0 71 94 A W H <> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.4 -1,-0.3 0.792 81.0 67.2 -59.2 -24.7 29.0 37.7 64.2 72 95 A S H <4 S+ 0 0 20 -3,-1.9 -1,-0.3 -4,-0.3 4,-0.3 0.880 102.2 44.7 -62.5 -37.0 28.0 34.5 66.0 73 96 A Q H X4 S+ 0 0 76 -3,-1.3 3,-1.4 -4,-0.3 -2,-0.2 0.907 112.3 51.9 -72.4 -40.4 26.8 36.7 68.9 74 97 A T H >< S+ 0 0 2 -4,-1.8 3,-1.4 1,-0.3 9,-0.2 0.857 98.8 63.9 -66.1 -32.9 25.0 39.1 66.5 75 98 A L T 3< S+ 0 0 59 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.651 114.7 34.0 -64.5 -13.5 23.2 36.2 64.7 76 99 A R T < S+ 0 0 195 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.244 90.7 117.2-122.7 9.5 21.4 35.6 68.1 77 100 A D X - 0 0 29 -3,-1.4 3,-1.9 3,-0.2 6,-0.2 -0.699 54.1-153.4 -85.0 115.0 21.3 39.3 69.2 78 101 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.731 93.7 65.0 -61.2 -19.2 17.6 40.5 69.6 79 102 A R T 3 S+ 0 0 151 1,-0.3 3,-0.1 2,-0.1 -5,-0.1 0.725 109.9 38.2 -74.9 -17.8 18.7 44.1 68.9 80 103 A F S X S+ 0 0 23 -3,-1.9 3,-1.9 -6,-0.2 -1,-0.3 -0.468 72.2 160.0-127.2 59.0 19.7 43.0 65.4 81 104 A P T 3 S+ 0 0 98 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.697 75.7 42.6 -56.0 -22.1 16.9 40.6 64.5 82 105 A D T 3> S+ 0 0 95 1,-0.1 4,-3.1 -3,-0.1 5,-0.3 0.158 75.5 120.5-113.6 20.4 17.5 40.8 60.7 83 106 A F H <> S+ 0 0 2 -3,-1.9 4,-2.5 -9,-0.2 5,-0.2 0.914 77.2 44.6 -49.6 -54.7 21.3 40.7 60.7 84 107 A K H > S+ 0 0 97 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 115.9 46.3 -59.4 -48.7 21.6 37.6 58.5 85 108 A Q H > S+ 0 0 124 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.907 112.6 50.7 -60.2 -44.1 18.9 38.7 56.1 86 109 A Q H >< S+ 0 0 70 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.905 111.9 47.2 -61.3 -43.2 20.4 42.2 55.8 87 110 A M H >< S+ 0 0 0 -4,-2.5 3,-2.5 -5,-0.3 -2,-0.2 0.903 100.1 67.7 -66.6 -39.2 23.9 40.8 55.1 88 111 A S H 3< S+ 0 0 33 -4,-2.3 35,-0.3 1,-0.3 -1,-0.2 0.742 96.7 53.6 -55.0 -27.4 22.7 38.3 52.5 89 112 A V T << S+ 0 0 106 -4,-0.8 -1,-0.3 -3,-0.6 2,-0.2 0.426 92.6 97.7 -90.6 5.1 21.8 41.0 50.0 90 113 A K S < S- 0 0 15 -3,-2.5 33,-1.3 -4,-0.1 2,-0.5 -0.558 71.2-127.4 -92.4 155.7 25.2 42.7 50.2 91 114 A Q E -cd 48 123A 50 -44,-2.6 -42,-2.6 -2,-0.2 2,-0.4 -0.896 26.7-155.5-101.9 128.6 28.1 42.3 47.8 92 115 A A E +cd 49 124A 1 31,-3.1 33,-1.9 -2,-0.5 34,-0.8 -0.836 14.5 178.1-110.8 143.8 31.5 41.4 49.4 93 116 A Y E -cd 50 126A 18 -44,-2.1 -42,-3.0 -2,-0.4 2,-0.4 -0.943 14.6-146.9-134.8 155.1 35.1 41.9 48.2 94 117 A V E -cd 51 127A 0 32,-1.7 34,-2.1 -2,-0.3 2,-0.4 -0.986 10.8-174.9-129.8 136.3 38.4 41.1 49.8 95 118 A I E +cd 52 128A 0 -44,-2.7 -42,-2.7 -2,-0.4 2,-0.4 -0.991 16.4 172.9-127.1 119.6 41.7 42.9 49.6 96 119 A A E -cd 53 129A 0 32,-2.6 34,-2.7 -2,-0.4 2,-0.4 -0.991 8.8-172.5-136.3 130.8 44.6 41.1 51.4 97 120 A V E +cd 54 130A 5 -44,-1.5 -42,-2.6 -2,-0.4 2,-0.3 -0.967 14.7 147.0-127.1 138.0 48.3 42.0 51.4 98 121 A G E - d 0 131A 9 32,-1.9 34,-2.4 -2,-0.4 5,-0.1 -0.960 45.9-122.0-156.9 172.1 51.3 40.2 52.8 99 122 A G S S+ 0 0 46 -44,-0.3 2,-0.5 -2,-0.3 34,-0.1 0.306 87.1 81.0-106.6 11.1 55.0 39.5 52.2 100 123 A D S S- 0 0 55 32,-0.1 5,-0.2 -45,-0.1 -1,-0.2 -0.681 119.6 -71.4-120.5 80.4 55.1 35.7 51.9 101 124 A N >> + 0 0 50 -2,-0.5 4,-3.1 1,-0.1 3,-1.4 0.848 69.2 176.4 36.3 54.3 54.1 34.8 48.3 102 125 A P H 3> + 0 0 4 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.768 65.9 66.1 -56.0 -33.6 50.5 35.9 49.1 103 126 A K H 34 S+ 0 0 19 2,-0.2 -2,-0.1 1,-0.2 26,-0.0 0.827 121.1 21.8 -63.8 -24.5 49.0 35.4 45.7 104 127 A I H X4 S+ 0 0 1 -3,-1.4 3,-1.3 2,-0.1 -1,-0.2 0.833 128.5 43.9-104.1 -51.8 49.7 31.7 46.1 105 128 A K H 3< S+ 0 0 48 -4,-3.1 4,-0.2 1,-0.3 -2,-0.2 0.596 107.1 62.8 -74.3 -10.0 49.9 31.1 49.9 106 129 A G T 3X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.4 -1,-0.3 0.402 74.0 96.3 -93.9 4.5 46.9 33.2 50.6 107 130 A L H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.882 77.9 55.9 -64.0 -38.4 44.5 31.0 48.6 108 131 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.922 107.1 52.4 -59.6 -37.6 43.3 29.0 51.7 109 132 A L H > S+ 0 0 0 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 107.5 50.8 -62.5 -40.0 42.3 32.4 53.2 110 133 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.911 109.7 51.2 -64.6 -38.2 40.3 33.3 50.1 111 134 A Q H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.891 107.7 52.1 -66.4 -36.8 38.6 30.0 50.3 112 135 A Q H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.938 109.5 49.3 -63.8 -44.4 37.7 30.6 54.0 113 136 A F H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.910 107.8 54.9 -60.4 -41.0 36.2 34.0 53.0 114 137 A E H X S+ 0 0 46 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.910 110.7 45.2 -58.9 -41.7 34.2 32.3 50.3 115 138 A H H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.907 112.5 51.3 -69.2 -40.2 32.8 29.9 52.9 116 139 A I H X S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 6,-0.2 0.957 114.8 42.0 -60.2 -51.1 32.1 32.8 55.3 117 140 A F H X>S+ 0 0 1 -4,-3.3 5,-2.4 1,-0.2 4,-0.8 0.916 113.4 52.2 -64.7 -41.6 30.2 34.8 52.7 118 141 A H H ><5S+ 0 0 126 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.877 106.3 54.7 -61.5 -38.6 28.4 31.7 51.3 119 142 A F H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.2 43.7 -62.5 -36.2 27.2 30.9 54.8 120 143 A M H 3<5S- 0 0 3 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.519 114.7-117.5 -85.5 -8.0 25.8 34.4 55.1 121 144 A G T <<5 + 0 0 47 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.573 65.1 148.3 80.6 10.9 24.3 34.2 51.6 122 145 A M < - 0 0 9 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.581 52.7-117.9 -83.0 140.0 26.5 37.1 50.6 123 146 A S E -d 91 0A 59 -33,-1.3 -31,-3.1 -35,-0.3 2,-1.3 -0.645 18.4-145.0 -76.8 121.2 27.7 37.3 47.0 124 147 A F E +d 92 0A 21 -2,-0.5 -31,-0.2 -33,-0.2 3,-0.1 -0.726 25.3 176.8 -89.3 92.4 31.6 37.1 46.9 125 148 A K E - 0 0 94 -33,-1.9 2,-0.3 -2,-1.3 -32,-0.2 0.679 49.7 -36.4 -75.6 -22.0 32.2 39.5 44.0 126 149 A G E -d 93 0A 7 -34,-0.8 -32,-1.7 2,-0.0 2,-0.3 -0.919 47.1-152.7 171.1 162.0 36.0 39.7 43.8 127 150 A Y E -d 94 0A 35 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.982 5.1-152.4-151.2 159.8 39.3 39.8 45.6 128 151 A V E -d 95 0A 7 -34,-2.1 -32,-2.6 -2,-0.3 2,-0.5 -0.989 4.1-162.7-138.0 126.9 42.8 41.0 45.3 129 152 A L E -d 96 0A 10 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.953 19.6-168.6-107.0 124.6 45.9 39.5 46.9 130 153 A G E -d 97 0A 0 -34,-2.7 -32,-1.9 -2,-0.5 2,-0.5 -0.865 17.7-127.5-118.6 153.1 48.8 41.9 46.9 131 154 A E E +d 98 0A 72 -2,-0.3 2,-0.2 -34,-0.2 10,-0.2 -0.846 42.4 139.5-101.8 129.0 52.5 41.5 47.6 132 155 A G + 0 0 9 -34,-2.4 -32,-0.1 -2,-0.5 -2,-0.1 -0.804 20.9 172.5-169.4 123.0 54.2 43.7 50.1 133 156 A N S S+ 0 0 97 1,-0.2 -34,-0.2 -2,-0.2 -1,-0.1 0.846 76.9 22.3 -98.1 -48.8 56.8 43.1 52.9 134 157 A R S > S- 0 0 158 1,-0.1 3,-2.4 -35,-0.0 4,-0.3 -0.806 104.2 -70.1-118.9 160.1 57.6 46.7 54.0 135 158 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -122,-0.1 -0.167 121.4 19.0 -48.0 137.0 55.7 49.9 53.7 136 159 A G T > S+ 0 0 40 -124,-0.1 3,-1.7 1,-0.1 4,-0.2 0.122 90.0 109.2 88.9 -22.7 55.5 51.1 50.1 137 160 A D G X + 0 0 65 -3,-2.4 3,-1.9 1,-0.3 4,-0.4 0.779 64.7 72.0 -57.4 -28.1 56.4 47.7 48.6 138 161 A I G > S+ 0 0 0 -4,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.779 81.9 70.7 -63.1 -23.4 52.8 47.3 47.3 139 162 A L G < S+ 0 0 51 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.652 92.6 58.7 -67.9 -12.4 53.4 50.0 44.7 140 163 A R G < S+ 0 0 184 -3,-1.9 2,-1.6 -4,-0.2 -1,-0.3 0.608 84.5 85.8 -87.5 -14.6 55.7 47.5 42.9 141 164 A D <> + 0 0 10 -3,-1.5 4,-2.2 -4,-0.4 5,-0.2 -0.595 52.9 169.0 -88.3 77.6 52.8 45.0 42.5 142 165 A H H > S+ 0 0 107 -2,-1.6 4,-2.2 1,-0.2 5,-0.2 0.837 72.3 57.3 -61.1 -34.5 51.4 46.4 39.3 143 166 A Q H > S+ 0 0 38 337,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.956 111.1 43.6 -62.5 -45.4 49.1 43.4 38.8 144 167 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 112.0 52.2 -68.0 -37.8 47.5 44.0 42.2 145 168 A L H X S+ 0 0 25 -4,-2.2 4,-2.2 -7,-0.2 -1,-0.2 0.904 112.3 46.2 -63.5 -41.0 47.2 47.8 41.8 146 169 A S H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.936 112.8 49.3 -66.8 -47.3 45.4 47.4 38.5 147 170 A A H X S+ 0 0 31 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.896 113.7 46.2 -60.6 -40.8 43.1 44.7 39.8 148 171 A A H >< S+ 0 0 0 -4,-2.6 3,-0.7 2,-0.2 4,-0.4 0.906 107.5 58.1 -68.8 -39.2 42.2 46.9 42.8 149 172 A S H 3< S+ 0 0 42 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.899 117.0 33.5 -56.1 -41.2 41.7 49.9 40.5 150 173 A R H >< S+ 0 0 80 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.445 87.1 107.7 -95.8 -1.4 39.1 48.0 38.6 151 174 A L T << S+ 0 0 11 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.841 92.3 26.6 -45.8 -47.2 37.6 46.0 41.4 152 175 A L T 3 S+ 0 0 15 -4,-0.4 2,-0.3 -130,-0.3 -1,-0.3 0.405 98.6 109.9-100.2 1.7 34.3 48.0 41.7 153 176 A K < - 0 0 56 -3,-1.2 -3,-0.0 1,-0.1 -131,-0.0 -0.594 39.1-178.4 -83.0 138.9 34.2 49.2 38.1 154 177 A R + 0 0 238 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.216 69.5 59.0-117.2 11.7 31.6 47.8 35.7 155 178 A S - 0 0 85 1,-0.1 -2,-0.0 -5,-0.1 0, 0.0 -0.756 65.3-159.6-127.2 174.3 32.7 49.8 32.6 156 179 A D 0 0 90 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.569 360.0 360.0-122.0 -89.7 36.1 49.7 30.9 157 180 A A 0 0 154 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.853 360.0 360.0-152.4 360.0 37.5 52.4 28.6 158 !* 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 0.0 159 2 B K 0 0 130 0, 0.0 48,-1.9 0, 0.0 47,-1.2 0.000 360.0 360.0 360.0 -45.2 24.8 -1.9 44.2 160 3 B I E -f 207 0C 0 25,-0.2 27,-3.1 24,-0.2 2,-0.5 -0.940 360.0-164.6-118.3 136.0 28.4 -0.6 44.7 161 4 B A E -fg 208 187C 0 46,-2.5 48,-3.0 -2,-0.4 2,-0.7 -0.972 8.4-156.8-120.7 131.8 30.9 0.1 42.1 162 5 B V E -fg 209 188C 1 25,-3.2 27,-3.2 -2,-0.5 2,-1.0 -0.945 11.1-156.4-104.4 114.4 34.6 0.7 42.7 163 6 B I E -fg 210 189C 0 46,-2.9 48,-2.6 -2,-0.7 2,-0.7 -0.818 12.7-158.3 -92.4 100.4 35.9 2.7 39.8 164 7 B N E -fg 211 190C 5 25,-2.9 27,-2.3 -2,-1.0 28,-0.6 -0.740 17.0-179.7 -88.9 116.5 39.6 1.8 39.9 165 8 B G + 0 0 0 46,-3.4 58,-0.4 -2,-0.7 57,-0.3 0.339 61.7 63.7 -95.8 4.5 41.8 4.3 38.1 166 9 B G S S- 0 0 6 45,-0.3 2,-0.4 56,-0.1 26,-0.4 0.371 103.0 -63.6 -97.4-127.5 45.2 2.7 38.7 167 10 B T - 0 0 82 24,-0.1 4,-0.4 23,-0.0 7,-0.1 -0.930 48.1-115.7-133.0 108.6 46.5 -0.6 37.4 168 11 B R S S+ 0 0 175 -2,-0.4 22,-0.0 24,-0.3 -4,-0.0 -0.171 76.8 110.9 -43.6 103.8 44.7 -3.8 38.5 169 12 B S S S- 0 0 84 -2,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.146 96.6 -83.0-172.7 38.3 47.6 -5.4 40.4 170 13 B G S S+ 0 0 40 1,-0.1 125,-0.3 124,-0.1 -2,-0.1 0.798 75.5 165.2 58.4 28.9 47.0 -5.5 44.2 171 14 B G > - 0 0 18 -4,-0.4 4,-2.5 123,-0.1 5,-0.2 -0.195 52.9 -97.3 -71.1 168.5 48.3 -2.0 44.4 172 15 B N H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 123.0 49.9 -56.9 -39.8 47.9 0.2 47.5 173 16 B T H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 111.2 49.1 -67.1 -44.3 44.8 2.0 46.1 174 17 B D H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.929 112.7 48.6 -57.0 -48.0 43.1 -1.2 45.2 175 18 B V H X S+ 0 0 33 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.918 111.2 48.7 -60.7 -45.7 43.8 -2.7 48.6 176 19 B L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.869 112.0 49.2 -65.2 -36.4 42.5 0.4 50.4 177 20 B A H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.896 108.2 54.2 -70.4 -36.0 39.3 0.4 48.4 178 21 B E H X S+ 0 0 71 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.871 103.7 56.9 -64.1 -33.5 38.9 -3.3 49.1 179 22 B K H >< S+ 0 0 76 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.919 107.6 48.1 -62.7 -41.2 39.1 -2.5 52.8 180 23 B A H 3< S+ 0 0 0 -4,-1.4 131,-0.3 1,-0.2 -1,-0.2 0.874 117.7 39.8 -67.6 -37.8 36.2 -0.1 52.4 181 24 B V H >X S+ 0 0 5 -4,-2.0 3,-2.6 -5,-0.1 4,-0.6 0.318 78.2 137.7 -97.8 11.2 34.0 -2.5 50.5 182 25 B Q T << S+ 0 0 128 -4,-0.7 -3,-0.0 -3,-0.7 -4,-0.0 -0.319 78.2 14.8 -59.0 130.9 34.8 -5.7 52.4 183 26 B G T 34 S+ 0 0 83 3,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.364 108.3 88.7 86.8 -6.4 31.6 -7.7 52.9 184 27 B F T <4 S- 0 0 55 -3,-2.6 -24,-0.2 -25,-0.0 -2,-0.2 0.618 82.8-139.3 -97.2 -15.8 29.7 -5.6 50.3 185 28 B D < - 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