==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 08-JUL-11 3SSW . COMPND 2 MOLECULE: TRP OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.BENOFF,J.CAREY,H.M.BERMAN,C.L.LAWSON . 199 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 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 . 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 4 0 0 2 0 2 0 0 0 0 0 2 0 0 0 2 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 5 R S 0 0 142 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.0 -21.7 -2.8 40.0 2 6 R P + 0 0 145 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.742 360.0 32.6 -69.0 -25.5 -22.0 -4.7 36.8 3 7 R Y - 0 0 165 4,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.998 67.5-156.5-136.2 127.4 -20.5 -1.9 34.6 4 8 R S > + 0 0 48 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 -0.861 12.1 178.7-107.2 103.0 -17.9 0.6 35.7 5 9 R A H > S+ 0 0 65 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.835 85.6 60.4 -64.6 -30.8 -18.0 3.8 33.6 6 10 R A H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.937 107.2 43.1 -60.0 -49.7 -15.1 5.1 35.8 7 11 R M H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.876 110.9 56.6 -66.7 -36.9 -12.8 2.2 34.7 8 12 R A H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.937 110.1 44.3 -58.9 -44.7 -13.9 2.7 31.1 9 13 R E H X S+ 0 0 102 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.918 111.4 53.4 -69.1 -35.5 -12.8 6.3 31.2 10 14 R Q H X S+ 0 0 100 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.928 111.1 46.4 -63.1 -44.7 -9.6 5.4 33.0 11 15 R R H X S+ 0 0 93 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.919 111.8 52.1 -60.3 -46.3 -8.8 2.9 30.2 12 16 R H H X S+ 0 0 79 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.928 108.5 49.1 -56.9 -46.1 -9.7 5.4 27.6 13 17 R Q H X S+ 0 0 99 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.896 109.7 52.9 -63.4 -37.9 -7.4 8.1 29.1 14 18 R E H X S+ 0 0 22 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.905 111.4 47.4 -61.8 -40.1 -4.5 5.4 29.2 15 19 R W H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.931 109.5 51.5 -67.6 -42.2 -5.2 4.8 25.5 16 20 R L H X S+ 0 0 39 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.851 105.0 58.1 -61.1 -35.2 -5.3 8.5 24.7 17 21 R R H X S+ 0 0 86 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.923 108.3 45.2 -61.5 -43.3 -1.9 8.8 26.4 18 22 R F H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.913 111.7 52.5 -62.8 -45.3 -0.5 6.3 24.0 19 23 R V H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 112.9 44.7 -58.0 -39.7 -2.1 8.0 21.1 20 24 R D H X S+ 0 0 82 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.891 110.4 54.3 -72.4 -38.1 -0.5 11.3 22.1 21 25 R L H X S+ 0 0 13 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.931 112.1 43.9 -58.8 -50.8 2.8 9.7 22.8 22 26 R L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.878 109.6 57.0 -66.3 -37.1 2.9 8.3 19.2 23 27 R K H X S+ 0 0 88 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.954 111.3 43.6 -54.2 -46.9 1.6 11.7 17.8 24 28 R N H X S+ 0 0 67 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.823 109.0 56.5 -71.6 -33.2 4.6 13.4 19.4 25 29 R A H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 6,-1.1 0.890 107.0 50.4 -65.2 -37.7 7.0 10.6 18.3 26 30 R Y H ><5S+ 0 0 21 -4,-2.4 3,-1.1 4,-0.2 -2,-0.2 0.934 109.5 51.9 -64.2 -41.0 5.9 11.2 14.6 27 31 R Q H 3<5S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.6 37.6 -61.3 -34.0 6.6 14.9 15.1 28 32 R N T 3<5S- 0 0 99 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.263 112.6-113.6-102.8 7.5 10.1 14.2 16.4 29 33 R D T < 5S+ 0 0 124 -3,-1.1 -3,-0.2 -4,-0.4 3,-0.1 0.739 88.5 112.6 64.0 26.0 10.9 11.3 14.0 30 34 R L >< + 0 0 26 -5,-2.6 4,-2.4 -6,-0.2 -4,-0.2 0.326 40.8 104.0-105.2 10.5 11.0 8.8 16.9 31 35 R H H > S+ 0 0 16 -6,-1.1 4,-2.7 1,-0.2 5,-0.2 0.891 76.2 52.4 -61.1 -39.8 7.9 6.9 15.6 32 36 R L H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.968 114.2 39.9 -67.2 -46.8 9.8 3.9 14.2 33 37 R P H > S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.858 115.7 53.5 -68.8 -31.8 11.8 3.1 17.4 34 38 R L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 109.1 48.6 -63.4 -45.2 8.7 3.9 19.5 35 39 R L H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.898 109.5 52.2 -64.4 -35.9 6.7 1.4 17.5 36 40 R N H < S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.860 112.9 45.9 -67.6 -32.8 9.4 -1.2 17.8 37 41 R L H < S+ 0 0 16 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.879 118.1 40.7 -71.5 -36.6 9.4 -0.8 21.6 38 42 R M H < S+ 0 0 5 -4,-2.3 2,-0.4 -5,-0.1 -2,-0.2 0.674 115.3 50.5 -93.8 -14.9 5.6 -0.8 21.9 39 43 R L S < S- 0 0 12 -4,-1.9 -1,-0.1 -5,-0.2 5,-0.0 -0.970 77.0-125.2-129.0 135.1 4.8 -3.6 19.4 40 44 R T > - 0 0 34 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.314 33.7-108.1 -67.9 156.8 6.2 -7.1 19.0 41 45 R P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.883 124.0 49.8 -53.0 -37.8 7.6 -8.2 15.6 42 46 R D H > S+ 0 0 130 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.907 109.8 50.1 -69.1 -39.5 4.5 -10.4 15.2 43 47 R E H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 110.8 50.1 -66.3 -37.3 2.1 -7.5 16.1 44 48 R R H X S+ 0 0 48 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.940 111.4 47.4 -65.3 -45.6 3.9 -5.3 13.6 45 49 R E H X S+ 0 0 84 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.927 109.3 54.8 -60.6 -43.0 3.6 -8.0 10.8 46 50 R A H X S+ 0 0 33 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.908 107.7 50.1 -54.7 -44.7 -0.1 -8.4 11.7 47 51 R L H X S+ 0 0 5 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.909 108.5 51.2 -64.8 -41.5 -0.6 -4.6 11.2 48 52 R G H X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.921 113.1 46.6 -57.1 -43.0 1.1 -4.6 7.8 49 53 R T H X S+ 0 0 18 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.884 107.2 57.0 -68.9 -38.1 -1.2 -7.5 6.8 50 54 R R H X S+ 0 0 66 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.819 100.3 58.1 -63.7 -30.9 -4.3 -5.8 8.2 51 55 R V H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.933 108.7 45.5 -62.5 -45.4 -3.6 -2.8 5.9 52 56 R R H X S+ 0 0 57 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.886 111.5 53.3 -65.0 -37.4 -3.8 -5.2 2.9 53 57 R I H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.962 111.1 44.9 -61.9 -48.4 -7.0 -6.8 4.3 54 58 R V H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.956 112.7 52.3 -59.9 -47.7 -8.7 -3.4 4.6 55 59 R E H X S+ 0 0 22 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.915 113.5 43.6 -52.2 -44.4 -7.5 -2.5 1.1 56 60 R E H X S+ 0 0 22 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.860 111.4 52.2 -75.7 -36.7 -8.9 -5.7 -0.4 57 61 R L H < S+ 0 0 36 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.916 112.8 46.6 -63.1 -41.5 -12.2 -5.6 1.5 58 62 R L H < S+ 0 0 30 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.928 114.1 46.7 -63.6 -45.8 -12.5 -2.0 0.2 59 63 R R H < S- 0 0 96 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.875 90.5-160.4 -64.2 -39.9 -11.6 -3.1 -3.4 60 64 R G < + 0 0 56 -4,-2.9 -3,-0.1 -5,-0.1 -4,-0.1 0.706 58.3 105.6 68.3 24.1 -14.0 -6.1 -3.1 61 65 R E + 0 0 155 -5,-0.4 2,-0.1 2,-0.1 -4,-0.1 0.673 51.1 93.7-100.5 -29.8 -12.4 -8.1 -6.0 62 66 R M S S- 0 0 35 -6,-0.4 2,-0.1 1,-0.1 -2,-0.0 -0.446 71.9-128.0 -73.7 139.6 -10.5 -10.8 -4.0 63 67 R S > - 0 0 47 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.409 23.5-111.3 -76.3 159.7 -12.3 -14.1 -3.4 64 68 R Q H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.880 121.8 51.3 -56.1 -42.1 -12.6 -15.6 0.1 65 69 R R H > S+ 0 0 188 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.0 46.7 -61.4 -42.9 -10.2 -18.3 -1.0 66 70 R E H > S+ 0 0 91 2,-0.2 4,-0.8 1,-0.2 5,-0.3 0.871 111.2 52.2 -70.3 -38.2 -7.6 -15.7 -2.3 67 71 R L H X S+ 0 0 10 -4,-2.7 4,-1.9 2,-0.2 6,-1.6 0.923 113.6 44.8 -58.1 -47.2 -8.0 -13.7 0.9 68 72 R K H X S+ 0 0 113 -4,-2.3 4,-1.1 4,-0.2 -2,-0.2 0.916 118.6 40.8 -62.4 -47.1 -7.3 -16.8 3.0 69 73 R N H < S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.384 123.9 36.9 -90.8 1.2 -4.3 -18.0 0.9 70 74 R E H < S+ 0 0 112 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.2 0.601 134.4 16.4-118.9 -23.0 -2.7 -14.6 0.3 71 75 R L H < S- 0 0 18 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.309 95.9-115.4-134.4 2.7 -3.2 -12.8 3.6 72 76 R G < + 0 0 59 -4,-1.1 2,-1.0 1,-0.2 -4,-0.2 0.587 64.3 150.1 69.5 11.5 -4.1 -15.6 6.1 73 77 R A - 0 0 1 -6,-1.6 -1,-0.2 -7,-0.1 -4,-0.1 -0.674 23.9-173.9 -87.1 100.5 -7.6 -14.0 6.4 74 78 R G > - 0 0 12 -2,-1.0 4,-3.0 -6,-0.1 5,-0.3 -0.106 48.0 -83.6 -73.9 178.5 -10.2 -16.7 7.2 75 79 R I H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.849 130.3 55.0 -55.3 -33.9 -14.0 -16.2 7.4 76 80 R A H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 112.0 41.2 -61.7 -52.6 -13.6 -15.0 11.1 77 81 R T H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 114.0 52.1 -64.5 -46.4 -11.0 -12.3 10.2 78 82 R I H X S+ 0 0 27 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.911 111.3 47.6 -54.8 -42.9 -12.9 -11.2 7.1 79 83 R T H X S+ 0 0 69 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.945 113.3 47.3 -64.2 -48.4 -16.1 -10.8 9.1 80 84 R R H X S+ 0 0 145 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.871 112.5 49.4 -58.7 -44.0 -14.4 -8.9 11.9 81 85 R G H X S+ 0 0 16 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.864 112.3 49.9 -65.4 -36.6 -12.6 -6.7 9.3 82 86 R S H X S+ 0 0 37 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.949 109.6 48.4 -65.9 -49.4 -16.0 -6.1 7.6 83 87 R N H X S+ 0 0 93 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.878 111.6 52.1 -58.7 -39.2 -17.8 -5.2 10.9 84 88 R S H X S+ 0 0 37 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.945 108.9 48.7 -62.8 -45.1 -15.0 -2.8 11.6 85 89 R L H < S+ 0 0 15 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.871 111.0 51.5 -62.2 -35.5 -15.3 -1.1 8.3 86 90 R K H < S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 110.6 48.7 -67.7 -37.0 -19.1 -0.9 8.8 87 91 R A H < S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.617 92.3 102.3 -76.9 -15.9 -18.6 0.8 12.2 88 92 R A S < S- 0 0 13 -4,-1.1 2,-0.1 -3,-0.3 45,-0.0 -0.368 82.9-100.7 -74.2 147.4 -16.0 3.3 10.8 89 93 R P >> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.395 29.6-120.7 -60.4 138.5 -17.0 6.9 10.1 90 94 R V H 3> S+ 0 0 69 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.842 111.9 62.6 -53.0 -33.5 -17.6 7.6 6.5 91 95 R E H 3> S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.835 106.3 46.3 -62.8 -33.8 -14.8 10.2 6.4 92 96 R L H <> S+ 0 0 0 -3,-1.3 4,-3.4 2,-0.2 -1,-0.2 0.937 111.7 49.7 -72.7 -47.8 -12.3 7.4 7.3 93 97 R R H X S+ 0 0 73 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.949 113.5 46.8 -56.0 -47.1 -13.7 5.0 4.7 94 98 R Q H X S+ 0 0 124 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.880 113.2 48.3 -61.1 -40.8 -13.6 7.6 1.9 95 99 R W H X S+ 0 0 34 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.913 111.7 50.1 -67.7 -42.5 -10.1 8.7 2.9 96 100 R L H X S+ 0 0 1 -4,-3.4 4,-3.2 2,-0.2 5,-0.5 0.883 107.6 53.3 -63.7 -37.6 -8.9 5.0 2.9 97 101 R E H X S+ 0 0 98 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.938 113.2 45.1 -63.9 -45.3 -10.4 4.4 -0.5 98 102 R E H < S+ 0 0 156 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.957 122.0 35.6 -53.3 -60.2 -8.4 7.4 -1.8 99 103 R V H < S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.863 123.7 39.1 -69.5 -41.0 -5.2 6.5 -0.1 100 104 R L H < 0 0 8 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.731 360.0 360.0 -88.2 -26.2 -5.2 2.7 -0.3 101 105 R L < 0 0 93 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.2 0.559 360.0 360.0-115.5 360.0 -6.7 2.3 -3.8 102 !* 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 0.0 103 8 N S > 0 0 123 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 101.8 14.3 -15.0 1.6 104 9 N A H > + 0 0 88 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.766 360.0 60.3 -62.5 -26.2 15.6 -11.4 1.6 105 10 N A H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.960 108.9 39.4 -62.1 -55.9 12.9 -10.7 -1.0 106 11 N M H > S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.890 113.7 56.5 -60.2 -45.1 10.0 -11.7 1.3 107 12 N A H X S+ 0 0 62 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.926 109.2 45.4 -51.3 -47.4 11.8 -10.1 4.2 108 13 N E H X S+ 0 0 100 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.782 111.1 54.6 -69.8 -29.7 11.9 -6.8 2.2 109 14 N Q H X S+ 0 0 101 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.903 108.2 47.3 -67.0 -44.2 8.2 -7.3 1.3 110 15 N R H X S+ 0 0 106 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.879 111.1 53.8 -67.8 -36.0 7.1 -7.7 4.9 111 16 N H H X S+ 0 0 91 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.938 108.3 47.3 -64.7 -43.3 9.2 -4.6 5.7 112 17 N Q H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.888 109.8 54.5 -66.4 -38.0 7.4 -2.5 3.1 113 18 N E H X S+ 0 0 19 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.900 110.3 46.5 -58.2 -44.4 4.1 -3.7 4.3 114 19 N W H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.941 113.0 48.8 -61.9 -48.1 5.0 -2.5 7.9 115 20 N L H X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.851 105.2 58.4 -63.1 -31.8 6.2 0.9 6.6 116 21 N R H X S+ 0 0 82 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.928 108.0 46.6 -64.5 -38.9 3.0 1.3 4.6 117 22 N F H X S+ 0 0 3 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.957 111.7 50.5 -63.7 -49.7 1.1 1.0 7.8 118 23 N V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.906 114.2 45.9 -54.4 -45.8 3.5 3.5 9.5 119 24 N D H X S+ 0 0 78 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.896 111.0 51.8 -63.9 -40.6 3.0 5.9 6.6 120 25 N L H X S+ 0 0 8 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.922 112.5 44.9 -62.0 -46.2 -0.8 5.4 6.6 121 26 N L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.870 110.0 55.0 -67.5 -38.8 -1.0 6.2 10.3 122 27 N K H X S+ 0 0 63 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.932 111.3 45.6 -56.5 -46.6 1.4 9.2 10.0 123 28 N N H X S+ 0 0 58 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.856 108.2 56.8 -68.8 -33.8 -1.0 10.6 7.3 124 29 N A H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 6,-0.8 0.922 106.2 50.0 -63.0 -42.0 -4.0 9.8 9.5 125 30 N Y H ><5S+ 0 0 27 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.941 108.8 52.2 -60.6 -43.7 -2.5 12.0 12.2 126 31 N Q H 3<5S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.779 116.6 40.7 -60.7 -25.9 -2.0 14.8 9.7 127 32 N N T 3<5S- 0 0 91 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.284 112.9-116.7-108.4 9.4 -5.6 14.5 8.7 128 33 N D T < 5S+ 0 0 117 -3,-1.5 -3,-0.2 -4,-0.3 -4,-0.1 0.799 86.1 114.3 56.7 32.1 -7.0 14.0 12.2 129 34 N L >< + 0 0 20 -5,-3.1 4,-2.3 -6,-0.2 -4,-0.2 0.208 37.7 105.2-107.4 11.8 -8.2 10.5 11.3 130 35 N H H > S+ 0 0 20 -6,-0.8 4,-2.9 2,-0.2 5,-0.2 0.875 73.8 54.3 -62.6 -39.0 -5.9 8.7 13.6 131 36 N L H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.973 114.3 39.2 -64.1 -52.5 -8.5 7.8 16.3 132 37 N P H > S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.891 114.7 54.8 -66.7 -31.0 -10.8 6.1 13.9 133 38 N L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.937 108.6 47.9 -61.5 -45.8 -8.0 4.5 12.0 134 39 N L H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.858 108.7 54.7 -68.7 -27.0 -6.6 3.0 15.2 135 40 N N H < S+ 0 0 80 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.886 111.4 45.4 -69.3 -35.5 -10.1 1.7 16.1 136 41 N L H < S+ 0 0 19 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.882 118.6 41.3 -69.5 -36.9 -10.2 -0.0 12.7 137 42 N M H < S+ 0 0 3 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.705 113.4 49.3 -93.1 -20.6 -6.7 -1.5 12.8 138 43 N L S < S- 0 0 12 -4,-1.9 -1,-0.1 -5,-0.2 -91,-0.0 -0.939 77.0-124.6-125.0 142.4 -6.5 -2.6 16.5 139 44 N T > - 0 0 23 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.388 33.4-106.4 -74.5 160.8 -8.8 -4.7 18.6 140 45 N P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 123.0 50.0 -54.2 -43.1 -10.1 -3.3 21.9 141 46 N D H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.851 109.3 51.6 -67.5 -32.4 -7.8 -5.7 23.8 142 47 N E H > S+ 0 0 50 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.890 109.5 49.3 -70.2 -38.7 -4.8 -4.6 21.7 143 48 N R H X S+ 0 0 51 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 111.7 49.1 -65.4 -41.2 -5.6 -0.9 22.4 144 49 N E H X S+ 0 0 80 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.934 108.7 53.3 -64.2 -41.8 -5.9 -1.7 26.1 145 50 N A H X S+ 0 0 30 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.895 108.7 50.5 -61.1 -39.2 -2.6 -3.6 26.0 146 51 N L H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.916 108.8 49.9 -66.0 -38.9 -0.9 -0.5 24.5 147 52 N G H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.935 113.8 47.0 -67.9 -33.7 -2.3 1.9 27.1 148 53 N T H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.886 106.3 58.2 -72.0 -36.0 -1.0 -0.5 29.8 149 54 N R H X S+ 0 0 34 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.866 99.8 57.8 -62.5 -34.0 2.4 -0.8 28.0 150 55 N V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.943 109.4 45.3 -58.9 -46.2 2.9 2.9 28.3 151 56 N R H X S+ 0 0 46 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.894 110.6 53.2 -66.0 -39.1 2.5 2.6 32.1 152 57 N I H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.951 111.8 45.7 -53.8 -49.3 4.8 -0.4 32.2 153 58 N V H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.914 112.9 50.9 -61.8 -46.2 7.5 1.6 30.3 154 59 N E H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.936 113.4 43.7 -56.3 -49.5 6.9 4.6 32.6 155 60 N E H X>S+ 0 0 25 -4,-2.8 4,-1.9 2,-0.2 5,-0.5 0.846 112.2 53.4 -72.8 -32.8 7.3 2.5 35.8 156 61 N L H <5S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.946 112.5 44.3 -60.4 -46.4 10.3 0.6 34.4 157 62 N L H <5S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.8 53.9 -66.1 -38.7 12.1 3.9 33.6 158 63 N R H <5S- 0 0 78 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 91.7-155.8 -63.3 -35.8 11.1 5.4 37.0 159 64 N G T <5 + 0 0 61 -4,-1.9 -3,-0.1 -5,-0.2 -1,-0.1 0.672 59.8 107.8 71.5 19.0 12.6 2.3 38.6 160 65 N E < + 0 0 147 -5,-0.5 2,-0.3 2,-0.1 -4,-0.1 0.784 56.5 76.7 -95.0 -36.2 10.5 2.6 41.9 161 66 N M S S- 0 0 37 -6,-0.5 2,-0.1 4,-0.1 -2,-0.1 -0.612 73.8-137.2 -81.9 136.2 8.1 -0.3 41.5 162 67 N S > - 0 0 45 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.369 32.4 -99.2 -78.4 168.1 9.4 -3.8 42.2 163 68 N Q H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.913 127.2 50.5 -52.7 -43.6 8.5 -6.8 39.9 164 69 N R H > S+ 0 0 165 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 110.1 48.2 -62.0 -40.9 5.8 -7.7 42.5 165 70 N E H > S+ 0 0 73 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.901 108.7 54.1 -71.6 -35.2 4.4 -4.2 42.6 166 71 N L H X S+ 0 0 6 -4,-3.0 4,-2.0 1,-0.2 6,-1.5 0.921 110.9 46.6 -61.1 -40.3 4.3 -4.1 38.8 167 72 N K H X S+ 0 0 114 -4,-1.9 4,-1.3 4,-0.2 -2,-0.2 0.950 116.0 46.0 -65.0 -45.3 2.3 -7.3 38.8 168 73 N N H < S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.938 122.9 31.7 -63.7 -48.5 -0.0 -5.9 41.6 169 74 N E H < S+ 0 0 113 -4,-3.3 -3,-0.2 1,-0.1 -2,-0.2 0.855 134.8 22.1 -80.8 -40.4 -0.6 -2.5 40.1 170 75 N L H < S- 0 0 21 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.471 94.3-122.0-112.4 -4.2 -0.5 -3.1 36.4 171 76 N G < + 0 0 56 -4,-1.3 2,-0.7 -5,-0.4 -4,-0.2 0.723 60.0 152.3 69.1 21.5 -1.3 -6.8 36.1 172 77 N A - 0 0 4 -6,-1.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.752 29.7-156.7 -91.9 114.1 2.1 -7.2 34.3 173 78 N G > - 0 0 21 -2,-0.7 4,-2.5 -3,-0.1 5,-0.3 -0.099 35.9 -86.2 -81.9-177.5 3.6 -10.7 34.9 174 79 N I H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 125.3 50.3 -64.2 -39.7 7.3 -11.6 34.6 175 80 N A H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.941 112.0 47.5 -65.2 -43.3 7.3 -12.2 30.9 176 81 N T H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 113.0 47.7 -59.8 -45.0 5.6 -8.9 30.1 177 82 N I H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.903 112.2 50.7 -63.6 -41.1 8.0 -7.0 32.4 178 83 N T H X S+ 0 0 65 -4,-2.4 4,-3.2 -5,-0.3 -2,-0.2 0.914 108.0 51.9 -65.1 -40.7 11.0 -8.8 30.8 179 84 N R H X S+ 0 0 89 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.921 111.8 48.1 -56.8 -47.3 9.7 -7.9 27.3 180 85 N G H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 114.3 45.5 -59.3 -47.3 9.5 -4.2 28.4 181 86 N S H X S+ 0 0 41 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.949 113.7 48.4 -64.6 -44.5 13.0 -4.3 29.9 182 87 N N H X S+ 0 0 92 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.864 111.1 51.5 -62.0 -39.7 14.5 -6.1 26.9 183 88 N S H X S+ 0 0 29 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.892 108.9 50.2 -70.0 -33.7 12.8 -3.5 24.6 184 89 N L H < S+ 0 0 24 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.918 111.3 49.5 -69.4 -36.6 14.2 -0.5 26.6 185 90 N K H < S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 113.4 46.2 -69.2 -31.5 17.7 -2.1 26.3 186 91 N A H < S+ 0 0 85 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.640 94.3 100.4 -83.3 -16.2 17.2 -2.6 22.6 187 92 N A S < S- 0 0 19 -4,-1.1 -153,-0.0 -3,-0.4 2,-0.0 -0.349 84.8 -98.5 -74.2 150.9 15.9 0.9 22.0 188 93 N P >> - 0 0 65 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.370 34.2-117.8 -63.0 143.3 18.1 3.8 20.6 189 94 N V H 3> S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.869 112.4 61.0 -52.4 -37.7 19.4 6.0 23.4 190 95 N E H 3> S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 105.2 48.6 -60.4 -36.9 17.6 9.0 22.0 191 96 N L H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.933 111.2 48.9 -66.4 -47.1 14.2 7.2 22.4 192 97 N R H X S+ 0 0 88 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.922 113.4 47.5 -57.9 -47.4 15.0 6.2 26.0 193 98 N Q H X S+ 0 0 83 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.895 113.0 48.0 -63.9 -41.1 16.0 9.7 26.8 194 99 N W H X S+ 0 0 38 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.938 109.8 52.2 -64.5 -45.1 13.0 11.2 25.2 195 100 N L H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 5,-0.5 0.884 105.9 54.9 -59.8 -39.0 10.6 8.8 27.0 196 101 N E H X S+ 0 0 70 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.926 111.2 46.3 -59.3 -40.4 12.2 9.7 30.3 197 102 N E H < S+ 0 0 158 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 121.4 34.5 -65.5 -42.9 11.4 13.4 29.5 198 103 N V H < S+ 0 0 64 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.862 122.1 41.4 -87.8 -33.9 7.8 12.8 28.4 199 104 N L H < 0 0 8 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.741 360.0 360.0 -89.2 -20.8 6.7 10.0 30.6 200 105 N L < 0 0 92 -4,-1.3 -1,-0.2 -5,-0.5 -2,-0.1 0.391 360.0 360.0-106.4 360.0 8.2 11.1 33.9