==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR 18-NOV-03 1US6 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REPRESSOR TRAM; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR A.VANNINI,S.DI MARCO . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 74.1 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 . 4 2.1 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 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 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 ANTIPARALLEL 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 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 12 A V 0 0 88 0, 0.0 3,-0.4 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 123.2 70.6 -12.9 12.6 2 13 A E + 0 0 98 71,-0.3 2,-0.5 1,-0.3 72,-0.1 0.843 360.0 33.2 -66.4 -40.2 70.1 -10.6 15.5 3 14 A L S > S- 0 0 8 70,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.783 70.3-173.4-121.9 89.5 66.3 -10.1 15.1 4 15 A R T >> S+ 0 0 197 -2,-0.5 3,-2.0 -3,-0.4 4,-0.7 0.748 75.0 68.6 -55.8 -37.0 64.9 -13.3 13.8 5 16 A P H 3> S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.678 87.1 70.7 -55.4 -22.8 61.3 -12.0 13.2 6 17 A L H <> S+ 0 0 0 -3,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.732 88.0 63.2 -67.3 -22.1 62.6 -9.9 10.4 7 18 A I H <> S+ 0 0 85 -3,-2.0 4,-0.7 -4,-0.2 3,-0.3 0.981 109.9 37.2 -69.7 -52.7 63.2 -12.9 8.2 8 19 A G H >< S+ 0 0 56 -4,-0.7 3,-0.8 1,-0.2 -1,-0.2 0.896 113.6 58.1 -63.0 -38.9 59.6 -13.9 8.1 9 20 A L H 3< S+ 0 0 31 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 113.0 37.8 -60.8 -39.1 58.4 -10.3 8.0 10 21 A T H >< S+ 0 0 11 -4,-1.8 3,-2.3 -3,-0.3 -1,-0.3 0.423 81.7 128.7 -94.9 -0.6 60.4 -9.5 4.8 11 22 A R T << S+ 0 0 224 -3,-0.8 -3,-0.0 -4,-0.7 -4,-0.0 -0.350 80.7 13.3 -57.1 131.5 59.9 -12.8 3.0 12 23 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.343 88.5 137.2 87.2 -7.5 58.6 -12.1 -0.5 13 24 A L < - 0 0 19 -3,-2.3 -1,-0.3 1,-0.1 5,-0.1 -0.496 65.7-102.7 -73.4 138.3 59.4 -8.4 -0.4 14 25 A P > - 0 0 39 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.402 26.5-119.8 -58.4 147.7 60.9 -7.4 -3.8 15 26 A P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.811 112.6 57.4 -60.1 -34.0 64.7 -6.9 -3.6 16 27 A T H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.944 108.9 45.3 -65.4 -41.0 64.4 -3.3 -4.6 17 28 A D H > S+ 0 0 25 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.854 111.6 52.8 -71.3 -37.6 62.2 -2.6 -1.6 18 29 A L H X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.915 111.1 46.7 -57.5 -46.7 64.4 -4.5 0.7 19 30 A E H X S+ 0 0 72 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.714 110.1 52.8 -71.2 -31.8 67.4 -2.5 -0.5 20 31 A T H X S+ 0 0 64 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.869 109.9 48.6 -64.8 -43.2 65.5 0.7 -0.1 21 32 A I H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.907 111.3 50.2 -60.8 -35.9 64.5 -0.2 3.5 22 33 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.914 109.4 50.1 -76.4 -39.4 68.1 -1.1 4.4 23 34 A I H X S+ 0 0 33 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.931 111.5 48.2 -62.5 -40.6 69.4 2.1 3.0 24 35 A D H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.868 108.2 57.5 -67.2 -31.8 66.9 4.1 5.0 25 36 A A H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.828 103.7 51.5 -69.8 -31.3 67.9 2.0 8.0 26 37 A I H X S+ 0 0 17 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.935 110.1 48.8 -66.0 -42.7 71.5 3.1 7.6 27 38 A R H X S+ 0 0 143 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.909 112.1 49.2 -59.6 -46.2 70.4 6.8 7.6 28 39 A T H X S+ 0 0 47 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.932 108.5 52.5 -60.2 -46.2 68.3 6.2 10.7 29 40 A H H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.950 109.8 49.9 -57.9 -45.4 71.2 4.5 12.5 30 41 A R H X S+ 0 0 132 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.879 111.2 48.2 -60.9 -38.7 73.3 7.5 11.7 31 42 A R H X S+ 0 0 143 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.910 111.6 50.3 -66.2 -39.8 70.7 9.9 13.0 32 43 A L H X S+ 0 0 6 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.862 110.1 49.0 -71.8 -33.1 70.2 7.9 16.2 33 44 A V H X S+ 0 0 45 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.933 110.2 53.0 -67.2 -45.2 74.0 7.8 16.8 34 45 A E H X S+ 0 0 138 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.4 46.9 -55.0 -41.1 74.1 11.6 16.3 35 46 A K H X S+ 0 0 92 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.896 111.6 49.5 -70.6 -45.1 71.3 12.1 18.8 36 47 A A H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.948 112.1 49.6 -59.5 -43.7 72.9 9.9 21.4 37 48 A D H X S+ 0 0 87 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.866 109.4 51.6 -62.6 -44.3 76.1 11.7 20.9 38 49 A E H X S+ 0 0 106 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.927 111.8 46.5 -60.1 -47.4 74.5 15.1 21.3 39 50 A L H X S+ 0 0 37 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.908 111.5 50.4 -64.3 -40.0 72.8 14.1 24.5 40 51 A F H >< S+ 0 0 59 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.952 107.7 53.4 -62.0 -47.0 76.0 12.6 26.0 41 52 A Q H 3< S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.7 52.8 -57.1 -32.9 78.1 15.7 25.2 42 53 A A H 3< S+ 0 0 63 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.560 86.7 104.5 -79.8 -10.3 75.5 17.8 27.0 43 54 A L S << S- 0 0 6 -3,-1.9 5,-0.1 -4,-0.6 -3,-0.0 -0.392 85.2 -96.1 -69.5 147.6 75.7 15.7 30.2 44 55 A P >> - 0 0 55 0, 0.0 3,-1.6 0, 0.0 4,-1.3 -0.329 37.9-108.9 -58.3 149.2 77.5 17.1 33.2 45 56 A E H 3> S+ 0 0 134 1,-0.3 4,-1.4 2,-0.2 6,-0.3 0.836 115.4 67.0 -52.3 -35.9 81.1 15.9 33.4 46 57 A T H 34>S+ 0 0 66 1,-0.3 6,-2.0 2,-0.2 5,-1.8 0.835 108.3 39.4 -53.7 -37.6 80.4 13.8 36.5 47 58 A Y H X45S+ 0 0 57 -3,-1.6 3,-0.6 4,-0.2 -1,-0.3 0.727 106.9 62.2 -83.4 -28.2 78.2 11.6 34.3 48 59 A K H 3<5S+ 0 0 63 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.736 110.8 41.5 -71.3 -15.7 80.5 11.7 31.3 49 60 A T T 3<5S- 0 0 79 -4,-1.4 -1,-0.2 3,-0.0 -2,-0.2 0.366 115.4-114.0-106.1 -0.5 83.2 9.9 33.4 50 61 A G T < 5S+ 0 0 62 -3,-0.6 -3,-0.2 2,-0.2 -4,-0.1 0.694 84.1 120.7 73.0 18.6 80.8 7.6 35.0 51 62 A Q S S- 0 0 24 1,-0.1 4,-2.7 2,-0.1 5,-0.2 -0.004 82.9 -69.1 95.1 164.0 68.1 11.4 37.2 56 67 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.831 128.4 49.2 -59.3 -43.1 66.0 12.6 34.3 57 68 A Q H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.929 114.1 45.9 -64.1 -44.3 68.7 14.0 32.0 58 69 A H H > S+ 0 0 20 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.934 111.1 55.2 -63.8 -40.3 70.9 10.8 32.3 59 70 A I H X S+ 0 0 16 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.900 104.5 52.6 -55.6 -47.5 67.7 8.8 31.7 60 71 A R H X S+ 0 0 141 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.876 109.9 48.7 -61.6 -36.1 67.0 10.7 28.4 61 72 A Y H X S+ 0 0 42 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.916 111.3 49.6 -68.4 -46.0 70.5 9.9 27.2 62 73 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.921 109.8 51.4 -57.1 -43.3 70.1 6.2 28.2 63 74 A E H X S+ 0 0 63 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.903 109.6 49.9 -63.0 -40.8 66.8 6.0 26.3 64 75 A A H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.920 112.7 48.1 -61.5 -40.6 68.5 7.5 23.2 65 76 A S H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 108.3 52.6 -67.8 -38.5 71.2 5.0 23.5 66 77 A I H X S+ 0 0 18 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.912 109.0 51.0 -60.8 -44.3 68.8 2.2 23.9 67 78 A E H X S+ 0 0 94 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.905 110.8 49.4 -56.5 -44.0 66.9 3.3 20.7 68 79 A M H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.909 112.0 47.0 -67.4 -42.4 70.2 3.3 18.9 69 80 A H H X S+ 0 0 52 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.914 112.6 48.6 -68.9 -39.9 71.2 -0.1 20.0 70 81 A A H X S+ 0 0 6 -4,-2.7 4,-1.4 1,-0.2 3,-0.5 0.951 112.4 48.4 -65.9 -42.9 67.9 -1.7 19.2 71 82 A Q H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.852 106.7 57.5 -63.2 -37.6 67.8 -0.1 15.7 72 83 A M H X S+ 0 0 40 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.3 0.865 101.6 55.1 -64.4 -33.7 71.3 -1.3 15.0 73 84 A S H X S+ 0 0 2 -4,-1.4 4,-1.5 -3,-0.5 -70,-0.3 0.910 109.6 47.8 -68.4 -35.3 70.3 -4.9 15.7 74 85 A A H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.926 110.8 51.1 -62.8 -47.1 67.5 -4.5 13.0 75 86 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.931 108.5 50.3 -61.3 -44.0 70.0 -2.9 10.6 76 87 A N H X S+ 0 0 53 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.873 110.7 51.1 -64.7 -32.2 72.5 -5.8 11.0 77 88 A T H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.895 105.7 54.5 -67.8 -40.1 69.6 -8.2 10.4 78 89 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 6,-0.2 0.866 105.3 54.9 -62.3 -39.2 68.6 -6.4 7.2 79 90 A Y H X>S+ 0 0 39 -4,-1.9 4,-2.2 1,-0.2 5,-0.7 0.892 108.1 47.8 -59.5 -44.8 72.2 -6.8 6.0 80 91 A S H <5S+ 0 0 80 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.877 113.9 46.3 -64.8 -36.3 72.0 -10.5 6.4 81 92 A I H <5S+ 0 0 52 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.5 44.9 -73.3 -43.1 68.7 -10.8 4.7 82 93 A L H <5S- 0 0 25 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.775 105.0-128.5 -69.7 -33.4 69.8 -8.6 1.8 83 94 A G T <5S+ 0 0 63 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.425 77.0 38.3 98.7 1.6 73.1 -10.3 1.4 84 95 A F S - 0 0 7 70,-0.4 3,-2.1 -3,-0.2 4,-0.3 -0.764 69.8-167.2-118.3 89.3 70.9 -6.3 23.6 106 15 B R T >> S+ 0 0 203 -2,-0.7 3,-1.7 1,-0.3 4,-0.6 0.749 78.9 62.8 -46.0 -44.7 74.3 -6.5 25.4 107 16 B P H 3> S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.780 87.2 72.2 -62.0 -15.4 75.0 -2.8 25.7 108 17 B L H <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.758 88.2 65.0 -71.9 -21.1 71.9 -2.2 27.9 109 18 B I H <> S+ 0 0 48 -3,-1.7 4,-0.9 -4,-0.3 3,-0.3 0.976 108.3 37.1 -64.6 -54.4 73.8 -3.9 30.8 110 19 B G H >< S+ 0 0 54 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.900 114.0 58.3 -61.4 -41.2 76.5 -1.2 31.0 111 20 B L H 3< S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 116.0 32.9 -59.1 -35.2 74.0 1.5 30.3 112 21 B T H >< S+ 0 0 9 -4,-1.7 3,-1.8 -3,-0.3 -1,-0.2 0.454 87.2 119.9-104.0 -3.0 71.9 0.7 33.2 113 22 B R T << S+ 0 0 189 -4,-0.9 -3,-0.0 -3,-0.6 -4,-0.0 -0.456 84.3 14.4 -63.9 128.1 74.6 -0.5 35.6 114 23 B G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 -2,-0.2 -61,-0.1 0.264 89.3 141.2 96.6 -12.8 74.6 1.6 38.6 115 24 B L < - 0 0 18 -3,-1.8 -1,-0.3 1,-0.1 -61,-0.1 -0.378 62.9-101.8 -65.4 147.7 71.3 3.2 38.1 116 25 B P >> - 0 0 45 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.350 36.5-115.8 -57.3 140.0 69.1 3.8 41.1 117 26 B P H 3> S+ 0 0 105 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.890 114.5 55.3 -50.7 -45.7 66.4 1.0 41.1 118 27 B T H 3> S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.835 105.6 52.4 -58.3 -29.9 63.6 3.5 40.6 119 28 B D H <> S+ 0 0 25 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.882 108.4 49.8 -78.3 -32.4 65.3 4.9 37.5 120 29 B L H X S+ 0 0 23 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.948 111.9 49.6 -67.4 -40.0 65.6 1.4 35.9 121 30 B E H X S+ 0 0 38 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.920 109.3 51.1 -61.2 -44.1 62.0 0.9 36.7 122 31 B T H X S+ 0 0 53 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.887 110.4 49.8 -62.1 -48.3 61.0 4.2 35.1 123 32 B I H X S+ 0 0 3 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.889 113.3 45.6 -57.5 -41.2 62.9 3.3 32.0 124 33 B T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 110.7 51.8 -72.7 -44.4 61.2 -0.1 31.8 125 34 B I H X S+ 0 0 35 -4,-3.2 4,-2.1 1,-0.2 3,-0.3 0.942 111.5 47.6 -58.3 -43.3 57.7 1.2 32.4 126 35 B D H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.866 109.5 54.0 -62.1 -37.4 58.2 3.7 29.7 127 36 B A H X S+ 0 0 13 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.836 106.2 53.9 -63.4 -33.4 59.5 1.0 27.4 128 37 B I H X S+ 0 0 4 -4,-2.1 4,-2.7 -3,-0.3 -2,-0.2 0.950 108.6 47.4 -68.5 -44.9 56.4 -1.0 28.1 129 38 B R H X S+ 0 0 147 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 113.2 48.6 -64.1 -39.0 54.2 1.8 27.1 130 39 B T H X S+ 0 0 69 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.906 108.0 56.4 -64.9 -40.3 56.3 2.2 24.0 131 40 B H H X S+ 0 0 44 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.989 107.2 46.9 -53.8 -51.9 56.0 -1.3 23.3 132 41 B R H X S+ 0 0 123 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.864 112.2 50.0 -62.6 -37.7 52.2 -1.2 23.4 133 42 B R H X S+ 0 0 134 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.865 109.8 50.9 -69.0 -39.9 52.1 1.8 21.1 134 43 B L H X S+ 0 0 16 -4,-3.0 4,-2.0 2,-0.2 36,-0.2 0.867 110.5 48.5 -64.1 -39.0 54.4 0.2 18.6 135 44 B V H X S+ 0 0 38 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.938 111.0 51.2 -63.8 -46.7 52.3 -3.0 18.5 136 45 B E H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.901 111.3 48.4 -60.6 -42.1 49.1 -1.0 18.0 137 46 B K H X S+ 0 0 85 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 112.9 45.7 -63.2 -49.4 50.7 1.0 15.1 138 47 B A H X S+ 0 0 2 -4,-2.0 4,-2.3 28,-0.2 -1,-0.2 0.912 114.0 48.6 -59.1 -46.0 52.0 -2.0 13.3 139 48 B D H X S+ 0 0 92 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.863 110.9 51.1 -66.9 -33.0 48.7 -3.9 13.8 140 49 B E H X S+ 0 0 127 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.902 110.9 48.6 -73.8 -40.0 46.7 -0.9 12.5 141 50 B L H X S+ 0 0 55 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.912 108.9 52.4 -64.1 -43.5 48.8 -0.6 9.5 142 51 B F H >< S+ 0 0 65 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.869 111.2 48.5 -57.6 -38.2 48.5 -4.3 8.7 143 52 B Q H 3< S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.757 107.3 54.3 -73.4 -28.5 44.7 -4.0 8.9 144 53 B A H 3< S+ 0 0 67 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.498 85.5 108.9 -84.1 -6.1 44.6 -1.0 6.7 145 54 B L S << S- 0 0 6 -4,-0.6 5,-0.1 -3,-0.5 -3,-0.0 -0.422 88.0 -94.7 -66.3 147.7 46.4 -2.8 4.0 146 55 B P >> - 0 0 58 0, 0.0 3,-3.2 0, 0.0 4,-0.9 -0.398 41.1-110.9 -62.0 143.1 44.4 -3.8 1.0 147 56 B E H 3> S+ 0 0 124 1,-0.3 4,-1.8 2,-0.2 6,-0.2 0.766 116.3 64.9 -50.9 -33.4 43.2 -7.3 1.6 148 57 B T H 34 S+ 0 0 51 1,-0.2 6,-3.1 2,-0.2 4,-0.5 0.756 100.3 53.2 -58.9 -24.1 45.4 -8.7 -1.1 149 58 B Y H <4 S+ 0 0 62 -3,-3.2 3,-0.3 4,-0.2 -1,-0.2 0.893 106.1 50.2 -78.9 -40.4 48.4 -7.6 1.0 150 59 B K H < S+ 0 0 45 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.1 0.933 112.3 47.3 -59.1 -50.8 47.4 -9.4 4.1 151 60 B T S < S- 0 0 104 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.618 115.7-112.1 -69.5 -18.0 46.8 -12.7 2.3 152 61 B G S S+ 0 0 52 -4,-0.5 -3,-0.1 -3,-0.3 -4,-0.1 0.175 87.4 118.0 102.9 -17.5 50.1 -12.6 0.4 153 62 B Q S S+ 0 0 162 -6,-0.2 -4,-0.2 -5,-0.1 2,-0.2 0.944 80.4 31.2 -43.7 -58.6 48.4 -12.0 -3.0 154 63 B A + 0 0 24 -6,-3.1 2,-0.3 -8,-0.1 -2,-0.2 -0.516 66.7 159.1-103.1 168.2 50.1 -8.6 -3.2 155 64 B C + 0 0 63 -2,-0.2 -142,-0.1 1,-0.1 -143,-0.0 -0.952 33.2 56.3-177.0 162.7 53.4 -7.2 -2.0 156 65 B G + 0 0 7 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.161 59.3 89.1 86.1 160.5 55.8 -4.4 -2.6 157 66 B G S > S- 0 0 22 2,-0.1 4,-2.9 1,-0.1 3,-0.3 -0.003 84.5 -66.7 103.0 155.9 55.2 -0.6 -2.7 158 67 B P H > S+ 0 0 88 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.939 125.9 50.2 -41.2 -66.1 55.2 2.3 -0.3 159 68 B Q H > S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 -2,-0.1 0.798 113.5 46.0 -48.2 -46.3 52.2 1.2 1.9 160 69 B H H > S+ 0 0 27 -4,-0.3 4,-2.8 -3,-0.3 -1,-0.3 0.927 112.0 52.5 -61.5 -43.4 53.6 -2.2 2.4 161 70 B I H X S+ 0 0 23 -4,-2.9 4,-3.1 -3,-0.5 -2,-0.2 0.904 105.8 53.9 -61.6 -41.1 57.0 -0.8 3.1 162 71 B R H X S+ 0 0 141 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.879 110.3 47.2 -59.0 -41.8 55.5 1.5 5.8 163 72 B Y H X S+ 0 0 39 -4,-1.8 4,-2.7 -5,-0.4 -2,-0.2 0.927 112.0 49.7 -62.1 -48.7 54.0 -1.5 7.5 164 73 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.954 110.6 50.3 -60.2 -43.3 57.2 -3.4 7.3 165 74 B E H X S+ 0 0 69 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.886 110.1 49.7 -60.9 -42.7 59.1 -0.4 8.8 166 75 B A H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.919 111.8 48.8 -65.7 -36.9 56.6 -0.1 11.7 167 76 B S H X S+ 0 0 3 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.893 108.5 52.8 -68.3 -37.2 57.0 -3.8 12.3 168 77 B I H X S+ 0 0 19 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.952 109.5 49.5 -59.9 -47.8 60.7 -3.6 12.3 169 78 B E H X S+ 0 0 87 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.911 112.7 48.6 -54.7 -51.3 60.5 -0.7 14.9 170 79 B M H X S+ 0 0 26 -4,-2.4 4,-2.2 -36,-0.2 -2,-0.2 0.948 113.6 45.0 -55.5 -49.4 58.2 -2.9 17.0 171 80 B H H X S+ 0 0 48 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.921 114.4 48.5 -67.3 -38.1 60.4 -6.0 16.9 172 81 B A H X S+ 0 0 5 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.916 112.7 46.9 -65.2 -47.9 63.6 -4.1 17.5 173 82 B Q H X S+ 0 0 28 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.838 106.7 58.8 -64.6 -35.7 62.1 -2.2 20.5 174 83 B M H X S+ 0 0 42 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.870 101.2 56.7 -59.2 -34.4 60.7 -5.5 21.9 175 84 B S H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -71,-0.4 0.906 108.6 46.0 -59.8 -43.7 64.3 -6.8 22.0 176 85 B A H X S+ 0 0 3 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.935 111.9 51.2 -64.8 -44.7 65.3 -3.9 24.2 177 86 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.925 109.1 50.2 -62.6 -43.8 62.2 -4.4 26.4 178 87 B N H X S+ 0 0 50 -4,-3.0 4,-2.0 1,-0.2 -76,-0.4 0.919 110.2 51.2 -58.9 -38.7 63.0 -8.1 26.9 179 88 B T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.922 107.6 51.8 -64.6 -44.9 66.6 -7.1 27.8 180 89 B L H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.926 108.3 52.1 -58.8 -45.7 65.3 -4.6 30.4 181 90 B Y H X S+ 0 0 24 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.895 108.6 51.5 -55.7 -41.1 63.1 -7.4 31.9 182 91 B S H < S+ 0 0 11 -4,-2.0 -1,-0.2 -80,-0.2 -2,-0.2 0.914 113.1 44.3 -62.0 -43.8 66.2 -9.6 32.1 183 92 B I H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 117.0 45.3 -68.9 -44.8 68.2 -6.9 33.9 184 93 B L H < S- 0 0 29 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.858 101.0-137.4 -64.3 -41.4 65.3 -6.0 36.2 185 94 B G S < S+ 0 0 22 -4,-2.8 -86,-0.6 -5,-0.3 2,-0.3 0.229 72.7 45.9 100.8 -15.3 64.5 -9.6 37.0 186 95 B F S S- 0 0 39 -5,-0.2 -89,-0.2 -88,-0.1 -1,-0.2 -0.890 83.6-105.0-147.0 172.8 60.7 -9.4 36.8 187 96 B I E -A 96 0A 36 -91,-2.6 -92,-2.6 -2,-0.3 -91,-1.5 -0.945 37.9-134.1-104.8 120.2 58.0 -7.9 34.5 188 97 B P E -A 94 0A 3 0, 0.0 2,-0.5 0, 0.0 -94,-0.3 -0.369 19.5-111.3 -70.4 152.3 56.4 -4.8 36.0 189 98 B K 0 0 105 -96,-2.1 -96,-0.1 1,-0.2 -94,-0.0 -0.717 360.0 360.0 -87.4 128.3 52.6 -4.3 36.0 190 99 B V 0 0 56 -2,-0.5 -1,-0.2 -62,-0.0 -96,-0.0 0.398 360.0 360.0-139.4 360.0 51.2 -1.7 33.8