==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 10-JUL-12 4G12 . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROB . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.K.SINGH,B.A.MANJASETTY,V.SINGH,M.MITTAL,S.KUMARAN . 384 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 80.2 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 . 13 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 1 1 1 0 0 0 2 2 0 0 2 0 0 0 0 0 0 6 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 24 A S 0 0 175 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.8 59.6 -8.9 19.1 2 25 A D - 0 0 99 1,-0.1 3,-0.5 4,-0.0 4,-0.4 -0.886 360.0-168.2-103.5 114.3 56.3 -7.0 18.3 3 26 A R > + 0 0 40 -2,-0.6 4,-0.9 1,-0.2 -1,-0.1 0.041 62.7 98.6 -92.3 26.1 56.8 -3.3 17.9 4 27 A R H > S+ 0 0 79 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.932 84.7 44.9 -74.2 -49.6 53.1 -2.4 17.8 5 28 A F H > S+ 0 0 134 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.873 110.4 55.1 -64.2 -38.4 52.9 -1.4 21.5 6 29 A Q H > S+ 0 0 122 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.857 110.0 47.9 -58.9 -35.9 56.1 0.6 21.1 7 30 A L H X S+ 0 0 5 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.875 109.8 52.0 -72.1 -40.2 54.2 2.3 18.2 8 31 A L H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.946 108.4 51.2 -56.5 -52.1 51.2 2.8 20.5 9 32 A A H X S+ 0 0 57 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.920 108.7 50.9 -52.4 -50.7 53.4 4.4 23.2 10 33 A A H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.912 108.1 54.2 -53.0 -47.2 54.9 6.8 20.7 11 34 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.921 102.8 55.1 -54.2 -52.6 51.4 7.8 19.5 12 35 A E H X S+ 0 0 47 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.885 111.7 44.0 -50.2 -48.0 50.1 8.8 23.0 13 36 A R H X S+ 0 0 116 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.917 116.2 46.1 -64.7 -46.2 53.0 11.2 23.5 14 37 A L H X S+ 0 0 14 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.845 112.9 49.1 -70.0 -35.9 52.8 12.8 20.0 15 38 A F H < S+ 0 0 4 -4,-3.3 -1,-0.2 -5,-0.2 5,-0.2 0.792 112.7 50.8 -69.9 -29.0 49.0 13.1 20.2 16 39 A A H < S+ 0 0 2 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.1 0.946 116.9 35.0 -73.9 -52.1 49.3 14.7 23.6 17 40 A E H < S+ 0 0 131 -4,-2.4 2,-0.3 -5,-0.1 -3,-0.1 0.998 127.1 30.0 -67.2 -67.2 51.9 17.4 22.8 18 41 A R S < S- 0 0 128 -4,-1.1 5,-0.1 -5,-0.2 -1,-0.1 -0.681 102.7 -94.4 -92.9 149.0 50.9 18.3 19.2 19 42 A G > - 0 0 8 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.132 30.5-110.3 -63.4 158.3 47.3 18.0 18.2 20 43 A F T 4 S+ 0 0 32 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.928 120.5 46.8 -52.1 -51.3 45.8 14.9 16.5 21 44 A L T 4 S+ 0 0 123 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.0 0.896 111.0 52.9 -58.9 -43.2 45.4 16.8 13.2 22 45 A A T 4 S+ 0 0 64 -7,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.797 92.1 88.5 -63.2 -31.9 48.9 18.2 13.5 23 46 A V < - 0 0 15 -4,-1.8 2,-0.4 -3,-0.4 -8,-0.0 -0.595 65.6-156.4 -77.3 119.9 50.4 14.8 13.9 24 47 A R > - 0 0 139 -2,-0.5 3,-0.7 1,-0.1 4,-0.4 -0.788 20.4-130.5 -92.3 139.7 51.3 13.0 10.7 25 48 A L T >> S+ 0 0 51 -2,-0.4 4,-1.2 1,-0.2 3,-1.1 0.802 103.5 69.3 -58.0 -31.7 51.6 9.2 10.8 26 49 A E H 3> S+ 0 0 150 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.929 103.3 40.3 -50.7 -52.0 55.0 9.4 9.1 27 50 A D H <> S+ 0 0 27 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.354 100.3 74.1 -88.6 5.7 56.7 11.0 12.1 28 51 A I H <> S+ 0 0 2 -3,-1.1 4,-1.2 -4,-0.4 -1,-0.2 0.920 105.9 36.0 -74.3 -50.7 54.9 8.7 14.7 29 52 A G H X>S+ 0 0 2 -4,-1.2 4,-1.9 -3,-0.3 5,-0.9 0.770 115.4 58.3 -70.7 -28.7 57.0 5.8 13.7 30 53 A A H <5S+ 0 0 78 -4,-0.9 4,-0.2 -5,-0.2 -2,-0.2 0.976 114.6 33.7 -64.8 -57.3 60.1 8.0 13.2 31 54 A A H <5S+ 0 0 63 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.697 114.4 65.1 -71.0 -20.4 60.1 9.4 16.7 32 55 A A H <5S- 0 0 31 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.964 108.9-114.4 -65.1 -55.3 58.8 6.0 18.0 33 56 A G T <5 + 0 0 51 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.694 67.9 117.7 110.2 68.7 61.9 3.9 17.1 34 57 A V < - 0 0 55 -5,-0.9 -1,-0.2 -4,-0.2 -2,-0.0 -0.925 63.0 -76.9-153.7 169.3 60.7 1.5 14.4 35 58 A S - 0 0 87 -2,-0.3 -1,-0.2 1,-0.0 -2,-0.1 0.086 47.8-103.7 -62.5-179.1 61.3 0.5 10.7 36 59 A G S > S- 0 0 47 2,-0.1 3,-1.1 1,-0.1 4,-0.2 0.892 95.6 -1.3 -75.6 -99.9 59.9 2.3 7.7 37 60 A P G > S+ 0 0 114 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.499 110.9 84.3 -80.1 -5.0 56.9 0.9 5.9 38 61 A A G > S+ 0 0 54 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.669 83.1 65.8 -66.7 -18.2 56.5 -2.2 8.1 39 62 A I G X> S+ 0 0 24 -3,-1.1 3,-1.3 1,-0.2 2,-1.3 0.868 84.9 71.5 -64.6 -40.8 54.5 0.1 10.4 40 63 A Y G <4 S+ 0 0 64 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.002 85.7 71.8 -71.3 33.5 51.8 0.5 7.7 41 64 A R G <4 S+ 0 0 69 -2,-1.3 -1,-0.2 -3,-0.5 -2,-0.1 0.690 109.1 19.1-111.9 -38.6 50.8 -3.1 8.5 42 65 A H T <4 S+ 0 0 122 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.517 129.5 36.9-118.0 -9.8 49.0 -2.8 11.9 43 66 A F S >< S+ 0 0 12 -4,-1.2 3,-1.3 5,-0.0 2,-0.5 0.092 72.0 178.1-136.1 29.8 48.2 0.9 12.3 44 67 A P T 3 + 0 0 74 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.660 63.8 4.2 -63.5 120.5 47.1 2.3 8.9 45 68 A N T 3 S- 0 0 70 -2,-0.5 2,-2.0 2,-0.0 -20,-0.1 -0.025 82.9-101.6-149.8 98.2 46.4 5.1 9.3 46 69 A K S X> S+ 0 0 13 -3,-1.3 4,-1.6 1,-0.2 3,-1.0 -0.458 111.3 64.6 83.0 -70.4 46.5 7.4 12.4 47 70 A E H 3> S+ 0 0 97 -2,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.852 95.5 63.4 -50.6 -38.5 42.8 7.2 13.3 48 71 A S H 3> S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.840 101.9 48.1 -56.9 -40.6 43.3 3.5 14.0 49 72 A L H <> S+ 0 0 0 -3,-1.0 4,-3.1 -6,-0.3 -1,-0.2 0.953 107.7 54.6 -65.6 -50.3 45.8 4.3 16.9 50 73 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.837 109.2 49.0 -53.6 -39.0 43.5 6.9 18.5 51 74 A V H X>S+ 0 0 40 -4,-1.8 4,-2.9 2,-0.2 5,-0.5 0.964 114.0 42.8 -68.4 -52.3 40.7 4.3 18.7 52 75 A E H X5S+ 0 0 91 -4,-1.8 4,-1.7 1,-0.2 5,-0.3 0.906 116.3 51.8 -58.2 -40.8 42.7 1.5 20.2 53 76 A L H X5S+ 0 0 17 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.955 121.3 28.7 -61.2 -54.1 44.4 4.0 22.5 54 77 A L H X5S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.927 122.1 48.3 -77.2 -48.2 41.1 5.6 23.9 55 78 A V H X5S+ 0 0 36 -4,-2.9 4,-1.9 -5,-0.3 -3,-0.2 0.883 114.2 48.7 -62.4 -39.8 38.7 2.6 23.6 56 79 A G H X S- 0 0 82 1,-0.0 4,-1.3 0, 0.0 -1,-0.0 -0.797 77.0 -93.2-141.9-176.1 33.2 -2.0 52.8 75 98 A L H > S+ 0 0 69 -2,-0.2 4,-1.6 2,-0.2 5,-0.1 0.882 119.5 55.8 -73.3 -40.6 31.8 1.1 51.1 76 99 A A H > S+ 0 0 49 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.890 113.0 43.6 -58.0 -39.9 34.0 3.6 52.9 77 100 A A H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.777 105.9 62.3 -75.2 -30.2 37.0 1.7 51.7 78 101 A A H X S+ 0 0 3 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.820 102.9 51.2 -62.7 -33.2 35.5 1.4 48.2 79 102 A L H X S+ 0 0 25 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.925 110.2 46.7 -69.6 -47.4 35.6 5.2 48.0 80 103 A D H X S+ 0 0 84 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.900 111.2 54.3 -60.8 -41.4 39.3 5.5 49.0 81 104 A G H X S+ 0 0 24 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 111.6 43.8 -55.8 -45.0 40.0 2.7 46.5 82 105 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.922 112.4 51.1 -69.1 -46.2 38.3 4.7 43.7 83 106 A I H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.913 116.2 42.3 -55.9 -45.3 40.0 8.0 44.7 84 107 A E H X S+ 0 0 54 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.889 113.3 52.5 -69.8 -40.7 43.4 6.2 44.7 85 108 A F H X S+ 0 0 41 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.833 113.4 43.6 -64.4 -35.9 42.6 4.3 41.5 86 109 A H H X S+ 0 0 5 -4,-2.6 4,-3.9 2,-0.2 5,-0.2 0.870 109.3 56.2 -77.2 -40.4 41.6 7.5 39.6 87 110 A L H X>S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.6 0.879 104.0 56.0 -53.5 -41.3 44.6 9.3 41.1 88 111 A D H X>S+ 0 0 85 -4,-2.0 4,-1.3 1,-0.2 5,-0.5 0.907 116.1 35.7 -56.0 -46.4 46.7 6.5 39.5 89 112 A F H X5S+ 0 0 6 -4,-1.1 4,-1.0 3,-0.2 -2,-0.2 0.895 116.9 52.8 -73.7 -44.2 45.2 7.3 36.1 90 113 A A H <5S+ 0 0 0 -4,-3.9 -2,-0.2 1,-0.2 -3,-0.2 0.893 122.3 27.3 -63.3 -44.5 45.0 11.1 36.5 91 114 A L H <5S+ 0 0 8 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.843 128.9 40.0 -87.6 -38.9 48.6 11.6 37.5 92 115 A G H < + 0 0 11 -2,-1.3 4,-1.4 -3,-0.5 -1,-0.2 0.835 62.1 62.0 -69.7 -34.7 48.3 12.3 32.1 95 118 A D H > S+ 0 0 45 -3,-0.3 4,-1.6 1,-0.2 3,-0.4 0.928 99.5 53.8 -56.3 -51.3 48.7 12.3 28.3 96 119 A L H > S+ 0 0 4 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.847 102.5 57.5 -54.7 -39.8 45.4 10.4 27.8 97 120 A I H X S+ 0 0 1 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.918 106.9 48.5 -60.7 -42.4 43.4 12.9 29.8 98 121 A R H X S+ 0 0 60 -4,-1.4 4,-1.6 -3,-0.4 5,-0.3 0.835 113.2 48.3 -64.5 -33.6 44.6 15.7 27.4 99 122 A I H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.865 110.1 50.7 -74.6 -38.7 43.7 13.5 24.5 100 123 A Q H < S+ 0 0 31 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.864 109.9 53.7 -61.6 -37.0 40.3 12.8 26.0 101 124 A D H < S+ 0 0 89 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 126.7 12.7 -63.0 -45.8 39.9 16.6 26.4 102 125 A R H >< S+ 0 0 114 -4,-1.6 3,-0.8 -5,-0.1 -3,-0.2 0.925 124.2 42.1 -99.0 -63.2 40.6 17.5 22.8 103 126 A D T 3< S+ 0 0 2 -4,-0.9 3,-0.2 -5,-0.3 -3,-0.1 0.068 75.1 103.4 -94.1 24.4 40.6 14.7 20.2 104 127 A L T > S+ 0 0 10 -4,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.798 82.5 56.6 -69.2 -28.7 37.5 12.7 21.3 105 128 A A T < S+ 0 0 46 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.749 96.4 62.4 -74.1 -26.3 35.7 14.3 18.4 106 129 A H T 3 S+ 0 0 64 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.150 84.5 100.6 -88.7 19.6 38.2 13.0 15.8 107 130 A L S < S- 0 0 8 -3,-0.9 -59,-0.1 1,-0.1 -60,-0.0 -0.729 89.4 -91.4 -96.0 150.9 37.4 9.5 16.7 108 131 A P >> - 0 0 32 0, 0.0 4,-3.2 0, 0.0 3,-0.5 -0.353 38.5-111.4 -62.4 148.1 35.0 7.5 14.4 109 132 A A H 3> S+ 0 0 71 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.823 117.0 50.2 -50.4 -42.1 31.3 7.7 15.4 110 133 A V H 3> S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.907 116.1 41.5 -64.6 -42.4 31.1 4.1 16.4 111 134 A A H <> S+ 0 0 7 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.895 112.2 54.1 -73.6 -41.9 34.3 4.3 18.6 112 135 A E H X S+ 0 0 46 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.903 107.4 51.4 -58.2 -44.0 33.3 7.8 20.1 113 136 A R H X S+ 0 0 169 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.911 112.2 47.7 -57.3 -43.1 29.9 6.4 21.1 114 137 A Q H X S+ 0 0 80 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.850 109.9 50.8 -69.3 -38.2 31.8 3.5 22.9 115 138 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.899 112.7 46.1 -68.4 -41.0 34.3 5.8 24.6 116 139 A R H X S+ 0 0 106 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.886 107.3 58.7 -66.7 -39.9 31.5 8.0 26.0 117 140 A K H X S+ 0 0 92 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.887 108.2 46.4 -53.1 -42.9 29.5 4.9 27.1 118 141 A A H X S+ 0 0 3 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.921 110.9 50.5 -68.3 -46.9 32.5 3.9 29.2 119 142 A Q H X S+ 0 0 58 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.933 111.1 50.2 -54.6 -49.2 33.0 7.4 30.7 120 143 A R H X S+ 0 0 155 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.929 113.5 44.4 -55.3 -49.8 29.3 7.4 31.6 121 144 A Q H X S+ 0 0 63 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.818 109.3 56.9 -66.7 -33.1 29.5 4.0 33.3 122 145 A Y H X S+ 0 0 16 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.864 108.4 47.0 -65.8 -38.0 32.7 4.9 35.1 123 146 A V H X S+ 0 0 15 -4,-2.1 4,-3.2 1,-0.2 3,-0.3 0.898 108.5 56.1 -66.7 -42.3 30.9 7.9 36.6 124 147 A E H X S+ 0 0 74 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.794 99.7 59.2 -60.9 -31.6 28.0 5.6 37.6 125 148 A V H X S+ 0 0 14 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.921 111.8 40.8 -62.7 -43.1 30.4 3.3 39.4 126 149 A W H X S+ 0 0 1 -4,-1.1 4,-3.8 -3,-0.3 5,-0.3 0.957 113.2 53.5 -65.8 -53.1 31.3 6.3 41.6 127 150 A V H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 5,-0.3 0.934 108.0 51.5 -45.5 -55.5 27.7 7.5 41.8 128 151 A G H X S+ 0 0 25 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.886 116.9 38.5 -49.1 -48.4 26.7 4.1 43.0 129 152 A V H X S+ 0 0 6 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.883 116.9 50.6 -71.7 -40.5 29.3 4.1 45.8 130 153 A L H X S+ 0 0 4 -4,-3.8 4,-0.6 1,-0.2 -2,-0.2 0.768 112.3 48.1 -69.1 -26.1 28.9 7.7 46.6 131 154 A R H < S+ 0 0 90 -4,-2.5 6,-0.2 -5,-0.3 -1,-0.2 0.764 109.3 50.3 -88.9 -30.5 25.1 7.3 46.9 132 155 A E H < S+ 0 0 128 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.761 106.1 57.5 -76.7 -28.3 25.1 4.2 49.1 133 156 A L H < S+ 0 0 65 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.792 124.3 21.7 -70.8 -31.1 27.5 6.0 51.5 134 157 A N >< + 0 0 39 -4,-0.6 3,-1.7 -5,-0.1 -1,-0.3 -0.739 64.9 177.2-137.3 89.2 25.0 8.8 52.0 135 158 A P T 3 S+ 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.584 76.2 77.5 -67.0 -10.0 21.4 7.7 51.1 136 159 A G T 3 S+ 0 0 65 -3,-0.1 2,-0.3 56,-0.1 -4,-0.1 0.702 82.2 82.0 -67.0 -21.8 20.4 11.2 52.2 137 160 A L S < S- 0 0 5 -3,-1.7 -3,-0.1 -6,-0.2 2,-0.1 -0.661 76.9-136.0 -87.3 140.3 21.7 12.5 48.8 138 161 A A > - 0 0 51 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.256 33.3 -93.6 -81.5 176.8 19.6 12.3 45.7 139 162 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.962 123.9 51.4 -55.4 -57.4 20.9 11.1 42.3 140 163 A A H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.672 108.3 54.3 -60.5 -21.1 21.7 14.6 41.0 141 164 A D H > S+ 0 0 13 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.941 109.1 45.4 -72.5 -53.0 23.7 15.3 44.1 142 165 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.770 113.0 52.6 -64.6 -29.3 25.9 12.3 43.8 143 166 A R H X S+ 0 0 91 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.970 110.0 46.3 -65.2 -56.9 26.4 13.1 40.1 144 167 A L H X S+ 0 0 10 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.862 114.4 50.0 -53.8 -38.4 27.4 16.7 40.9 145 168 A X H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.897 111.9 47.2 -67.0 -41.4 29.7 15.3 43.6 146 169 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 116.2 42.5 -66.6 -48.2 31.2 12.7 41.2 147 170 A H H X S+ 0 0 29 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.856 111.8 56.4 -68.1 -36.0 31.8 15.2 38.4 148 171 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.966 110.0 44.9 -53.8 -54.3 33.1 17.8 40.9 149 172 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.865 112.8 50.1 -62.8 -40.2 35.7 15.3 42.1 150 173 A F H X S+ 0 0 16 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.869 108.0 53.6 -67.2 -37.9 36.8 14.3 38.5 151 174 A G H < S+ 0 0 18 -4,-2.3 194,-0.3 1,-0.2 -1,-0.2 0.897 111.6 46.4 -60.2 -40.9 37.1 17.9 37.5 152 175 A L H >< S+ 0 0 0 -4,-1.9 3,-0.7 192,-0.3 -2,-0.2 0.893 117.3 42.3 -67.6 -43.7 39.4 18.4 40.4 153 176 A L H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.884 111.6 53.1 -72.1 -41.9 41.5 15.3 39.8 154 177 A N T 3< S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.289 83.8 89.0 -82.1 12.3 41.7 15.7 36.0 155 178 A S T X + 0 0 8 -3,-0.7 3,-1.1 1,-0.2 -1,-0.2 0.377 59.2 100.9 -83.7 3.1 43.1 19.2 36.3 156 179 A T G X> + 0 0 5 -3,-0.9 3,-3.0 1,-0.2 4,-2.2 0.868 64.1 66.5 -58.4 -44.1 46.6 17.7 36.5 157 180 A P G 34 S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.711 91.5 65.5 -56.8 -19.7 47.7 18.4 32.8 158 181 A H G <4 S+ 0 0 108 -3,-1.1 -2,-0.2 1,-0.1 3,-0.1 0.545 121.1 18.1 -74.9 -8.0 47.6 22.2 33.6 159 182 A S T <4 S+ 0 0 47 -3,-3.0 2,-2.1 -4,-0.1 -3,-0.1 0.648 113.1 64.8-123.6 -58.2 50.5 21.6 36.0 160 183 A X S < S+ 0 0 50 -4,-2.2 -1,-0.1 4,-0.1 2,-0.1 -0.485 72.7 163.7 -78.8 77.7 52.3 18.3 35.4 161 184 A K - 0 0 131 -2,-2.1 4,-0.5 2,-0.2 -3,-0.1 -0.359 55.1 -95.3 -92.1 172.1 53.7 19.1 31.9 162 185 A A S S+ 0 0 76 1,-0.2 2,-2.2 2,-0.1 -1,-0.1 0.778 112.5 77.4 -59.0 -31.4 56.5 17.4 29.9 163 186 A A S S+ 0 0 104 1,-0.0 -1,-0.2 2,-0.0 -2,-0.2 -0.467 108.7 18.4 -78.0 68.5 59.0 20.0 31.2 164 187 A D + 0 0 32 -2,-2.2 -2,-0.1 -4,-0.1 -4,-0.1 -0.581 49.2 162.1 173.6-109.3 59.3 18.2 34.5 165 188 A S + 0 0 100 -4,-0.5 -3,-0.1 1,-0.2 -1,-0.1 0.733 28.6 158.1 61.6 26.6 58.3 14.6 35.5 166 189 A K >> - 0 0 109 1,-0.1 3,-1.5 2,-0.0 4,-0.9 -0.737 42.5-137.7 -80.7 121.3 60.4 14.8 38.7 167 190 A P H 3> S+ 0 0 108 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.711 97.8 65.5 -59.4 -25.0 58.9 12.1 41.0 168 191 A A H 3> S+ 0 0 70 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.865 101.8 49.8 -62.1 -38.0 59.1 14.3 44.1 169 192 A R H <> S+ 0 0 146 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.835 107.7 53.9 -69.5 -34.9 56.6 16.7 42.6 170 193 A T H X S+ 0 0 48 -4,-0.9 4,-3.6 2,-0.2 -2,-0.2 0.887 105.6 50.2 -70.6 -42.4 54.1 13.9 41.7 171 194 A V H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.836 114.1 47.7 -63.6 -32.3 53.9 12.4 45.2 172 195 A R H X S+ 0 0 99 -4,-1.1 4,-2.6 2,-0.2 5,-0.2 0.893 112.4 48.1 -71.5 -44.0 53.3 16.0 46.4 173 196 A A H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.948 113.8 47.9 -56.9 -50.6 50.6 16.4 43.7 174 197 A R H X S+ 0 0 46 -4,-3.6 4,-2.4 1,-0.2 5,-0.3 0.891 112.0 49.4 -57.3 -44.8 49.1 13.1 44.7 175 198 A A H X S+ 0 0 38 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 116.3 41.0 -63.6 -47.0 49.1 14.0 48.4 176 199 A V H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.966 115.9 49.1 -64.8 -54.2 47.5 17.4 47.9 177 200 A L H X S+ 0 0 2 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.906 113.6 45.8 -56.3 -48.1 45.0 16.2 45.3 178 201 A R H X S+ 0 0 80 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.960 113.8 49.6 -57.2 -52.4 43.9 13.2 47.4 179 202 A A H X S+ 0 0 26 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.887 113.2 47.6 -54.1 -42.8 43.6 15.5 50.5 180 203 A X H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.898 113.3 46.1 -66.2 -43.3 41.6 18.0 48.5 181 204 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.867 114.0 47.4 -72.7 -36.9 39.2 15.4 47.0 182 205 A V H X S+ 0 0 58 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.897 114.9 46.2 -69.3 -42.2 38.6 13.6 50.3 183 206 A A H X S+ 0 0 18 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.848 113.2 51.4 -66.0 -35.3 38.0 16.9 52.2 184 207 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.896 105.2 53.7 -69.9 -42.4 35.7 18.0 49.3 185 208 A L H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.807 111.4 46.3 -64.4 -31.2 33.5 14.9 49.3 186 209 A S H X S+ 0 0 51 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.905 107.1 55.9 -76.1 -45.0 32.8 15.3 53.0 187 210 A A H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.876 108.6 51.3 -50.1 -40.0 32.0 19.0 52.7 188 211 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.941 108.2 49.2 -61.8 -50.9 29.5 17.9 50.2 189 212 A D H < S+ 0 0 51 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.833 117.6 42.8 -59.3 -35.0 27.9 15.3 52.6 190 213 A R H < S+ 0 0 169 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.980 109.7 52.8 -73.1 -62.6 27.7 18.0 55.3 191 214 A C H < 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.860 360.0 360.0 -41.2 -55.7 26.5 21.0 53.3 192 215 A L < 0 0 56 -4,-1.7 -56,-0.1 -5,-0.2 -55,-0.0 -0.356 360.0 360.0 -69.1 360.0 23.5 19.2 51.8 193 !* 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 0.0 194 24 B S 0 0 173 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.6 17.7 48.9 18.1 195 25 B D - 0 0 121 1,-0.1 4,-0.4 2,-0.0 3,-0.3 -0.829 360.0-170.9 -98.7 117.3 20.9 47.0 17.6 196 26 B R > + 0 0 53 -2,-0.6 4,-1.1 1,-0.2 -1,-0.1 0.345 67.3 89.9 -85.5 6.0 20.5 43.3 16.6 197 27 B R H >> S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.975 86.0 43.9 -69.7 -56.8 24.2 42.5 17.1 198 28 B F H 3> S+ 0 0 119 1,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.818 109.6 57.8 -62.7 -33.7 24.2 41.4 20.8 199 29 B Q H 3> S+ 0 0 61 -4,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.862 107.1 50.4 -58.5 -36.7 21.0 39.4 20.2 200 30 B L H - 0 0 6 -2,-0.3 4,-2.0 1,-0.1 -1,-0.2 0.039 33.7-109.3 -60.0 164.7 30.1 22.0 17.8 213 43 B F T 4 S+ 0 0 32 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.927 123.0 43.7 -56.8 -47.4 31.6 25.2 16.3 214 44 B L T 4 S+ 0 0 119 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.0 0.861 111.0 55.9 -67.8 -37.3 32.2 23.4 13.0 215 45 B A T 4 S+ 0 0 63 -7,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.864 93.3 81.6 -61.8 -38.6 28.8 21.7 13.2 216 46 B V < - 0 0 13 -4,-2.0 2,-0.4 -5,-0.1 -8,-0.0 -0.581 69.3-154.3 -77.9 124.4 27.0 25.1 13.5 217 47 B R >> - 0 0 171 -2,-0.4 3,-1.2 1,-0.1 4,-0.5 -0.852 19.7-129.3-101.6 133.6 26.5 27.0 10.2 218 48 B L H >> S+ 0 0 48 -2,-0.4 4,-1.2 1,-0.3 3,-0.9 0.748 103.1 69.6 -50.9 -30.6 26.2 30.8 10.3 219 49 B E H 3> S+ 0 0 161 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.935 103.7 39.4 -53.4 -52.1 23.0 30.5 8.2 220 50 B D H <> S+ 0 0 54 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.388 101.2 75.0 -86.8 3.9 20.9 29.0 11.1 221 51 B I H S+ 0 0 5 -4,-1.2 4,-2.0 -3,-0.3 5,-1.3 0.795 116.5 55.9 -68.3 -30.7 20.5 34.2 12.6 223 53 B A H <5S+ 0 0 81 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.960 114.3 37.0 -65.8 -53.4 17.5 32.0 11.9 224 54 B A H <5S+ 0 0 60 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.712 113.7 63.5 -69.4 -21.8 17.5 30.6 15.5 225 55 B A H <5S- 0 0 33 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.965 108.5-115.7 -65.7 -55.7 18.5 34.1 16.8 226 56 B G T <5 + 0 0 70 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.699 68.3 123.1 109.6 58.4 15.4 36.0 15.7 227 57 B V < - 0 0 46 -5,-1.3 -1,-0.2 1,-0.2 -2,-0.0 -0.836 61.2 -81.0-141.7 171.2 16.9 38.4 13.1 228 58 B S - 0 0 85 -2,-0.3 -1,-0.2 1,-0.0 -2,-0.1 0.165 46.9-100.8 -63.7-173.3 16.5 39.5 9.5 229 59 B G S > S- 0 0 50 2,-0.1 3,-1.0 3,-0.1 4,-0.2 0.856 96.7 -1.9 -78.2-100.6 18.0 37.7 6.5 230 60 B P G > S+ 0 0 114 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.435 109.6 85.3 -82.2 -0.2 21.2 39.1 4.9 231 61 B A G > S+ 0 0 66 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.638 81.4 69.3 -69.8 -15.3 21.6 42.2 7.3 232 62 B I G X> S+ 0 0 18 -3,-1.0 4,-1.4 1,-0.2 3,-1.1 0.874 85.3 66.5 -63.4 -41.8 23.4 39.6 9.5 233 63 B Y G <4 S+ 0 0 66 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.026 86.2 76.5 -73.5 30.4 26.2 39.5 7.0 234 64 B R G <4 S+ 0 0 64 -3,-0.7 -1,-0.2 -2,-0.6 -2,-0.2 0.750 110.7 11.3-104.6 -39.6 27.0 43.1 8.0 235 65 B H T <4 S+ 0 0 125 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.512 129.6 43.7-121.0 -9.9 28.7 42.7 11.4 236 66 B F >< + 0 0 6 -4,-1.4 3,-1.3 -18,-0.0 2,-0.7 0.022 68.9 174.6-133.2 32.7 29.4 39.0 11.8 237 67 B P T 3 + 0 0 71 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.746 64.5 5.8 -66.6 117.9 30.8 37.7 8.5 238 68 B N T 3 S- 0 0 69 -2,-0.7 2,-2.2 2,-0.0 -20,-0.0 -0.008 81.0-103.8-153.0 99.9 31.5 34.9 9.1 239 69 B K S X> S+ 0 0 14 -3,-1.3 4,-1.6 1,-0.2 3,-0.7 -0.376 111.4 63.0 82.1 -65.0 31.2 32.5 12.1 240 70 B E H 3> S+ 0 0 97 -2,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.835 95.5 64.3 -58.1 -34.9 34.8 32.7 13.3 241 71 B S H 3> S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.812 101.8 48.3 -60.2 -35.9 34.2 36.4 14.0 242 72 B L H <> S+ 0 0 0 -3,-0.7 4,-3.0 -6,-0.3 5,-0.2 0.970 107.7 53.6 -67.4 -55.2 31.5 35.6 16.6 243 73 B L H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.852 109.4 50.3 -48.0 -43.0 33.7 33.0 18.4 244 74 B V H X>S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 5,-0.6 0.971 113.1 42.0 -64.8 -56.0 36.5 35.6 18.8 245 75 B E H X5S+ 0 0 77 -4,-1.6 4,-1.5 1,-0.2 5,-0.4 0.900 117.5 51.5 -55.9 -39.5 34.4 38.4 20.2 246 76 B L H X5S+ 0 0 18 -4,-3.0 4,-1.7 3,-0.2 -2,-0.2 0.953 121.1 28.2 -64.7 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