==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR/DNA 06-JAN-10 3LAP . COMPND 2 MOLECULE: ARGININE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.T.CHERNEY,M.M.CHERNEY,C.R.GAREN,M.N.G.JAMES,TB STRUCTURAL . 909 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 73.6 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 . 138 15.2 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 . 12 1.3 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 . 69 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 0 5 3 16 6 0 6 0 0 0 0 0 0 0 0 0 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 6 0 18 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 . 6 0 6 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 16 A A 0 0 85 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 175.6 -24.2 -21.9 -45.4 2 17 A N > - 0 0 138 1,-0.0 4,-3.0 0, 0.0 5,-0.4 -0.400 360.0 -76.4-105.5-173.6 -24.6 -25.6 -44.7 3 18 A R H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.900 126.9 42.9 -51.9 -52.5 -22.5 -28.1 -42.8 4 19 A A H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.908 117.6 44.5 -66.9 -44.7 -19.7 -28.5 -45.4 5 20 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.949 113.0 50.4 -62.5 -51.1 -19.4 -24.8 -46.3 6 21 A R H X S+ 0 0 25 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.899 109.5 52.3 -54.4 -41.8 -19.5 -23.6 -42.7 7 22 A Q H X S+ 0 0 22 -4,-2.2 4,-2.1 -5,-0.4 -1,-0.2 0.859 106.5 52.9 -67.8 -32.9 -16.8 -26.1 -41.8 8 23 A A H X S+ 0 0 38 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.933 109.1 49.3 -63.6 -46.6 -14.5 -24.8 -44.6 9 24 A R H X S+ 0 0 18 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.896 108.3 55.2 -56.7 -41.2 -14.9 -21.3 -43.2 10 25 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.917 105.6 50.4 -61.5 -43.6 -14.0 -22.7 -39.8 11 26 A V H X S+ 0 0 59 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.938 112.8 46.8 -59.4 -44.5 -10.8 -24.1 -41.1 12 27 A A H >X S+ 0 0 22 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.945 113.0 49.5 -62.5 -46.0 -9.9 -20.8 -42.6 13 28 A I H 3X S+ 0 0 8 -4,-3.2 4,-1.5 1,-0.2 3,-0.4 0.901 107.7 53.9 -59.4 -44.3 -10.9 -19.0 -39.4 14 29 A L H 3< S+ 0 0 15 -4,-2.9 5,-0.2 1,-0.2 -1,-0.2 0.722 105.7 52.6 -66.9 -23.3 -8.8 -21.3 -37.2 15 30 A S H << S+ 0 0 84 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.786 115.9 37.9 -84.3 -26.6 -5.6 -20.7 -39.2 16 31 A S H < S+ 0 0 36 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.565 118.5 46.5-100.9 -11.7 -5.7 -16.9 -39.1 17 32 A A S < S- 0 0 18 -4,-1.5 2,-0.7 -5,-0.2 553,-0.0 -0.844 77.9-123.0-123.5 166.4 -7.0 -16.5 -35.5 18 33 A Q - 0 0 18 -2,-0.3 2,-0.6 44,-0.0 46,-0.1 -0.872 34.3-163.1-108.7 95.2 -6.1 -18.0 -32.1 19 34 A V + 0 0 2 -2,-0.7 44,-2.7 44,-0.5 3,-0.1 -0.724 20.2 173.2 -96.4 116.0 -9.4 -19.5 -31.0 20 35 A R + 0 0 67 -2,-0.6 2,-0.3 42,-0.2 -1,-0.2 0.601 65.3 15.7 -94.8 -16.1 -9.7 -20.4 -27.4 21 36 A S S > S- 0 0 32 1,-0.1 4,-2.0 42,-0.1 -1,-0.1 -0.989 70.1-113.3-156.1 163.5 -13.3 -21.3 -27.2 22 37 A Q H > S+ 0 0 28 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.828 117.3 60.8 -71.8 -28.8 -16.4 -22.2 -29.2 23 38 A N H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 105.0 47.2 -59.6 -44.1 -17.9 -18.9 -28.1 24 39 A E H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 110.0 53.3 -64.9 -40.2 -15.0 -17.1 -29.8 25 40 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.895 106.1 53.4 -62.6 -39.1 -15.4 -19.2 -32.9 26 41 A A H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.866 108.6 49.4 -62.1 -38.1 -19.1 -18.2 -33.0 27 42 A A H X S+ 0 0 19 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.920 110.7 49.8 -69.1 -43.3 -18.2 -14.5 -32.9 28 43 A L H X S+ 0 0 10 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.887 113.9 46.0 -60.0 -39.5 -15.7 -14.9 -35.7 29 44 A L H ><>S+ 0 0 1 -4,-2.3 5,-2.2 1,-0.2 3,-1.0 0.892 108.8 54.5 -70.8 -39.1 -18.3 -16.8 -37.8 30 45 A A H ><5S+ 0 0 28 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.844 97.7 65.6 -64.9 -31.2 -21.0 -14.2 -37.0 31 46 A A H 3<5S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.798 105.9 43.7 -60.8 -29.4 -18.6 -11.5 -38.3 32 47 A E T <<5S- 0 0 24 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.008 129.1 -95.6-106.6 31.4 -18.9 -13.1 -41.8 33 48 A G T < 5S+ 0 0 35 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.343 83.8 128.0 83.4 -5.1 -22.7 -13.5 -41.5 34 49 A I < - 0 0 12 -5,-2.2 2,-0.6 -6,-0.1 -1,-0.2 -0.761 34.6-173.8 -91.0 115.7 -22.8 -17.1 -40.3 35 50 A E + 0 0 158 -2,-0.7 2,-0.3 -5,-0.1 -8,-0.1 -0.910 19.8 140.9-115.0 111.0 -24.9 -17.6 -37.2 36 51 A V - 0 0 43 -2,-0.6 2,-0.1 -10,-0.1 -6,-0.1 -0.907 44.4-105.9-136.5 165.6 -25.0 -21.0 -35.5 37 52 A T > - 0 0 90 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.375 32.9-102.5 -89.9 170.6 -25.1 -22.2 -31.8 38 53 A Q H > S+ 0 0 115 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 118.5 60.9 -58.6 -38.9 -22.3 -23.7 -29.6 39 54 A A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.954 106.1 47.0 -57.4 -47.8 -23.9 -27.2 -30.0 40 55 A T H > S+ 0 0 33 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.898 111.2 51.1 -60.4 -41.7 -23.3 -27.0 -33.8 41 56 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.886 106.3 54.3 -64.4 -38.7 -19.8 -25.8 -33.4 42 57 A S H X S+ 0 0 47 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.969 113.5 43.5 -56.4 -47.8 -19.0 -28.6 -31.0 43 58 A R H X S+ 0 0 144 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.901 112.7 51.9 -66.4 -41.7 -20.2 -31.0 -33.7 44 59 A D H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.924 110.4 48.2 -57.5 -46.3 -18.4 -29.1 -36.5 45 60 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.7 0.855 112.0 49.3 -71.2 -32.6 -15.1 -29.2 -34.6 46 61 A E H ><5S+ 0 0 62 -4,-1.9 463,-1.6 -5,-0.3 3,-1.1 0.949 111.6 47.9 -66.9 -48.4 -15.5 -32.9 -33.9 47 62 A E H 3<5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.870 112.2 51.8 -59.0 -35.8 -16.3 -33.7 -37.5 48 63 A L H 3<5S- 0 0 35 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.658 109.3-124.2 -73.3 -17.7 -13.3 -31.6 -38.5 49 64 A G T <<5 + 0 0 1 -3,-1.1 457,-0.2 -4,-0.7 -3,-0.2 0.710 50.8 169.0 75.3 22.0 -10.9 -33.5 -36.1 50 65 A A < - 0 0 0 -5,-2.4 2,-0.4 -6,-0.2 15,-0.2 -0.441 16.5-160.9 -72.9 138.4 -10.1 -30.2 -34.5 51 66 A V E -A 64 0A 14 13,-2.6 13,-2.4 -2,-0.1 2,-1.1 -0.921 24.9-123.4-121.1 146.8 -8.1 -30.3 -31.3 52 67 A K E -A 63 0A 72 452,-0.4 452,-0.4 -2,-0.4 2,-0.3 -0.778 46.0-159.6 -86.4 99.4 -7.6 -27.8 -28.5 53 68 A L E +A 62 0A 14 9,-3.0 9,-2.2 -2,-1.1 2,-0.3 -0.615 23.7 156.3 -96.7 140.7 -3.9 -27.7 -28.6 54 69 A R - 0 0 40 -2,-0.3 5,-0.1 7,-0.2 3,-0.1 -0.980 26.5-137.4-154.7 151.3 -1.3 -26.6 -26.0 55 70 A G > - 0 0 20 -2,-0.3 3,-1.2 3,-0.2 2,-0.2 -0.107 56.5 -47.4 -91.9-164.4 2.3 -27.3 -25.1 56 71 A A T 3 S+ 0 0 71 1,-0.3 443,-0.2 444,-0.1 -1,-0.2 -0.523 132.0 1.3 -74.6 133.9 4.0 -27.8 -21.7 57 72 A D T 3 S+ 0 0 96 441,-1.5 -1,-0.3 442,-0.3 442,-0.2 0.921 99.2 144.8 50.6 47.8 2.8 -25.2 -19.2 58 73 A G X - 0 0 16 -3,-1.2 3,-0.6 440,-1.0 -3,-0.2 0.222 48.4-129.8-108.8 14.1 0.8 -24.0 -22.1 59 74 A G T 3 - 0 0 14 1,-0.2 -1,-0.3 439,-0.1 -2,-0.1 -0.399 60.0 -31.1 74.7-148.7 -2.5 -22.8 -20.6 60 75 A T T 3 S- 0 0 107 1,-0.2 -1,-0.2 -2,-0.1 -6,-0.1 0.646 89.1-123.0 -90.2 -17.7 -5.9 -23.8 -21.8 61 76 A G < - 0 0 9 -3,-0.6 2,-0.3 511,-0.2 -7,-0.2 -0.056 10.0-110.2 102.3 159.4 -5.2 -24.3 -25.5 62 77 A I E -A 53 0A 26 -9,-2.2 -9,-3.0 -11,-0.1 2,-0.3 -0.965 34.5-104.4-127.1 150.6 -6.3 -23.1 -28.9 63 78 A Y E +A 52 0A 23 -44,-2.7 -44,-0.5 -2,-0.3 2,-0.3 -0.549 44.5 165.3 -75.1 131.7 -8.3 -25.0 -31.6 64 79 A V E -A 51 0A 31 -13,-2.4 -13,-2.6 -2,-0.3 462,-0.1 -0.985 29.1-135.4-137.3 152.5 -6.3 -26.2 -34.6 65 80 A V - 0 0 36 -2,-0.3 -15,-0.1 -15,-0.2 -16,-0.1 -0.949 34.1-105.9-109.5 130.5 -7.1 -28.7 -37.4 66 81 A P 0 0 30 0, 0.0 459,-0.2 0, 0.0 458,-0.1 -0.101 360.0 360.0 -44.7 142.3 -4.4 -31.3 -38.4 67 82 A E 0 0 182 457,-0.1 458,-0.1 0, 0.0 457,-0.0 0.141 360.0 360.0 74.5 360.0 -2.7 -30.6 -41.8 68 ! 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 69 89 A G 0 0 107 0, 0.0 2,-0.3 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0-122.1 -11.2 -20.6 -53.0 70 90 A V > - 0 0 56 43,-0.8 3,-2.3 1,-0.1 4,-0.3 -0.803 360.0 -91.8-104.5 147.0 -13.4 -21.0 -50.0 71 91 A S T 3 S+ 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 -62,-0.0 -0.248 113.0 6.9 -53.9 134.9 -17.1 -21.7 -50.0 72 92 A G T 3> S+ 0 0 31 1,-0.1 4,-3.0 3,-0.1 -1,-0.3 0.579 90.3 139.9 66.3 8.5 -19.2 -18.5 -49.9 73 93 A G H <> S+ 0 0 6 -3,-2.3 4,-1.8 1,-0.2 41,-0.2 0.908 71.5 40.1 -47.7 -53.3 -15.9 -16.7 -50.3 74 94 A T H > S+ 0 0 64 -4,-0.3 4,-3.5 40,-0.2 -1,-0.2 0.796 112.5 56.8 -74.9 -23.6 -17.3 -14.1 -52.7 75 95 A D H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 104.3 52.1 -72.8 -40.2 -20.5 -13.8 -50.7 76 96 A R H X S+ 0 0 16 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.932 114.8 44.4 -54.4 -44.7 -18.5 -12.9 -47.6 77 97 A M H >X S+ 0 0 0 -4,-1.8 3,-0.9 33,-0.3 4,-0.8 0.954 112.7 48.9 -66.0 -49.0 -16.9 -10.2 -49.8 78 98 A A H >X S+ 0 0 12 -4,-3.5 4,-0.7 1,-0.3 3,-0.7 0.850 104.5 63.0 -59.4 -34.7 -20.1 -9.1 -51.4 79 99 A R H 3< S+ 0 0 91 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.846 103.9 46.7 -54.6 -41.6 -21.6 -8.9 -47.9 80 100 A L H -B 94 0B 0 3,-2.3 3,-2.2 -2,-0.3 153,-0.1 -0.782 67.2 -45.0-164.5 125.0 -6.9 3.1 -64.2 92 112 A G T 3 S- 0 0 31 1,-0.3 47,-2.8 -2,-0.2 48,-0.5 -0.296 128.0 -9.7 51.2-125.7 -5.1 0.7 -66.5 93 113 A N T 3 S+ 0 0 22 45,-0.2 40,-3.3 46,-0.2 2,-0.5 0.223 120.1 92.3 -87.2 15.6 -4.8 -2.6 -64.7 94 114 A L E < -BC 91 132B 0 -3,-2.2 -3,-2.3 38,-0.2 2,-0.5 -0.919 54.4-161.4-117.9 133.8 -5.9 -1.2 -61.4 95 115 A A E -BC 90 131B 0 36,-2.5 36,-2.7 -2,-0.5 2,-0.6 -0.919 18.4-151.6 -99.0 138.2 -9.3 -1.0 -59.7 96 116 A V E -BC 89 130B 2 -7,-3.1 -7,-1.1 -2,-0.5 2,-0.4 -0.944 12.2-169.6-115.1 115.0 -9.2 1.6 -56.9 97 117 A L E -BC 88 129B 0 32,-2.6 32,-2.5 -2,-0.6 2,-0.4 -0.864 6.5-156.0-106.6 140.1 -11.6 1.1 -54.0 98 118 A R E +BC 87 128B 68 -11,-2.5 -12,-2.9 -2,-0.4 -11,-1.1 -0.900 16.1 174.5-113.3 141.9 -12.4 3.6 -51.3 99 119 A T - 0 0 6 28,-2.3 -14,-0.1 -2,-0.4 3,-0.1 -0.808 41.6 -75.7-132.7 171.9 -13.7 2.6 -47.9 100 120 A P S > S- 0 0 26 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.305 76.2 -67.3 -63.1 159.0 -14.5 4.4 -44.6 101 121 A P T 3 S+ 0 0 78 0, 0.0 26,-0.2 0, 0.0 775,-0.1 -0.214 122.5 7.5 -52.3 134.6 -11.4 5.3 -42.6 102 122 A G T 3 S+ 0 0 4 24,-0.5 771,-0.6 -3,-0.1 3,-0.4 0.196 103.8 98.9 82.0 -15.1 -9.6 2.3 -41.3 103 123 A A <> + 0 0 0 -3,-2.2 4,-2.2 1,-0.2 5,-0.3 0.566 52.0 91.9 -84.7 -9.7 -11.7 -0.2 -43.2 104 124 A A H > S+ 0 0 0 22,-1.7 4,-2.6 -4,-0.4 -1,-0.2 0.880 85.8 47.2 -56.7 -45.8 -9.4 -0.9 -46.1 105 125 A H H > S+ 0 0 38 -3,-0.4 4,-2.1 20,-0.3 -1,-0.2 0.872 110.9 53.0 -67.1 -34.5 -7.5 -3.9 -44.7 106 126 A Y H > S+ 0 0 3 763,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.937 114.3 39.8 -66.2 -47.0 -10.8 -5.6 -43.6 107 127 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.917 114.5 53.4 -71.1 -39.7 -12.4 -5.4 -47.0 108 128 A A H X S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.884 105.5 55.0 -62.8 -35.5 -9.1 -6.2 -48.8 109 129 A S H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.914 108.4 48.2 -60.6 -44.6 -8.8 -9.3 -46.7 110 130 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -33,-0.3 0.843 109.9 52.1 -65.2 -38.7 -12.2 -10.5 -47.8 111 131 A I H X>S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 5,-0.5 0.955 109.8 49.9 -58.4 -50.3 -11.3 -9.8 -51.4 112 132 A D H ><5S+ 0 0 33 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.887 108.4 52.4 -52.9 -45.1 -8.2 -11.9 -51.0 113 133 A R H 3<5S+ 0 0 67 -4,-2.1 -43,-0.8 1,-0.3 -1,-0.2 0.794 101.0 60.4 -69.3 -26.3 -10.2 -14.8 -49.5 114 134 A A H 3<5S- 0 0 8 -4,-1.4 -1,-0.3 -3,-0.5 -40,-0.2 0.749 91.7-156.6 -68.5 -24.4 -12.6 -14.8 -52.4 115 135 A A T <<5 - 0 0 57 -4,-0.9 -3,-0.1 -3,-0.8 -2,-0.1 0.886 8.6-161.4 49.0 51.3 -9.5 -15.6 -54.6 116 136 A L > < - 0 0 17 -5,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.408 18.1-136.3 -62.7 133.3 -11.0 -14.2 -57.8 117 137 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.767 104.4 57.3 -63.8 -25.6 -9.1 -15.6 -60.9 118 138 A Q T 3 S+ 0 0 77 15,-0.1 16,-3.0 18,-0.0 2,-0.5 0.429 94.8 80.2 -85.0 2.4 -9.2 -12.1 -62.4 119 139 A V E < -D 133 0B 16 -3,-1.6 14,-0.2 14,-0.2 3,-0.1 -0.938 53.5-173.5-114.7 118.1 -7.4 -10.6 -59.4 120 140 A V E - 0 0 12 12,-2.8 2,-0.3 -2,-0.5 -1,-0.1 0.853 66.1 -56.7 -75.3 -36.2 -3.7 -10.9 -59.0 121 141 A G E -D 132 0B 2 11,-0.9 11,-2.8 309,-0.0 2,-0.3 -0.967 47.2-115.5 173.9 177.8 -3.7 -9.4 -55.5 122 142 A T E -D 131 0B 4 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.960 8.5-162.1-134.6 151.4 -4.7 -6.4 -53.3 123 143 A I E -D 130 0B 3 7,-1.9 7,-2.5 -2,-0.3 2,-0.4 -0.995 14.4-156.8-130.0 129.0 -2.9 -3.8 -51.2 124 144 A A E +D 129 0B 6 -2,-0.4 5,-0.2 5,-0.2 -19,-0.1 -0.851 13.4 177.5-104.3 138.1 -4.8 -1.9 -48.5 125 145 A G - 0 0 8 3,-3.0 -20,-0.3 -2,-0.4 -1,-0.1 0.216 60.0 -71.3 -97.9-127.4 -3.8 1.5 -47.1 126 146 A D S S- 0 0 32 -22,-0.1 -22,-1.7 -23,-0.1 -24,-0.5 0.808 122.4 -0.2-100.4 -42.6 -6.2 3.1 -44.6 127 147 A D S S+ 0 0 38 -26,-0.2 -28,-2.3 -24,-0.2 2,-0.4 0.236 122.7 68.4-132.1 12.8 -9.1 4.0 -46.7 128 148 A T E -C 98 0B 1 -30,-0.2 -3,-3.0 144,-0.0 2,-0.4 -0.992 54.7-164.0-137.6 141.4 -8.0 2.9 -50.2 129 149 A I E -CD 97 124B 0 -32,-2.5 -32,-2.6 -2,-0.4 2,-0.6 -0.989 9.6-151.4-122.7 132.7 -7.5 -0.5 -51.8 130 150 A L E -CD 96 123B 1 -7,-2.5 -7,-1.9 -2,-0.4 2,-0.6 -0.941 12.6-165.0 -96.6 124.1 -5.6 -1.2 -55.0 131 151 A V E -CD 95 122B 0 -36,-2.7 -36,-2.5 -2,-0.6 2,-0.6 -0.960 12.0-144.0-110.8 118.5 -6.9 -4.3 -56.7 132 152 A V E -CD 94 121B 0 -11,-2.8 -12,-2.8 -2,-0.6 -11,-0.9 -0.762 13.7-138.6 -89.4 121.0 -4.5 -5.5 -59.4 133 153 A A E - D 0 119B 0 -40,-3.3 2,-0.5 -2,-0.6 -14,-0.2 -0.525 13.2-123.8 -80.5 139.2 -6.3 -7.0 -62.4 134 154 A R > - 0 0 87 -16,-3.0 3,-2.0 -2,-0.2 259,-0.1 -0.708 55.3 -68.8 -80.6 124.6 -5.0 -10.2 -64.1 135 155 A E T 3 S+ 0 0 120 -2,-0.5 3,-0.1 1,-0.4 -1,-0.1 -0.274 119.1 19.2 -58.1 140.9 -4.3 -9.6 -67.8 136 156 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.4 0, 0.0 -3,-0.0 -0.973 103.9 92.4 -96.0 13.0 -6.1 -9.1 -70.0 137 157 A T < - 0 0 23 -3,-2.0 2,-0.2 1,-0.1 -4,-0.1 -0.350 69.7-139.7 -57.0 139.1 -8.9 -8.0 -67.5 138 158 A T > - 0 0 70 1,-0.1 4,-2.1 -3,-0.1 -45,-0.2 -0.634 20.0-112.5 -99.9 162.9 -8.8 -4.3 -67.0 139 159 A G H > S+ 0 0 0 -47,-2.8 4,-2.7 -2,-0.2 5,-0.2 0.864 118.0 59.5 -56.5 -38.1 -9.2 -2.3 -63.8 140 160 A A H > S+ 0 0 46 -48,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.921 104.3 48.6 -59.5 -43.7 -12.4 -0.9 -65.2 141 161 A Q H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.937 110.8 51.3 -64.3 -44.2 -13.9 -4.5 -65.6 142 162 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.927 109.0 50.5 -53.5 -48.2 -12.9 -5.2 -62.0 143 163 A A H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.919 110.4 50.4 -59.2 -41.4 -14.6 -2.0 -60.8 144 164 A G H X S+ 0 0 39 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.874 107.9 52.9 -63.7 -39.6 -17.7 -3.1 -62.7 145 165 A M H X S+ 0 0 46 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.962 110.2 47.9 -59.5 -49.1 -17.6 -6.5 -61.1 146 166 A F H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 3,-0.3 0.929 111.4 50.1 -58.1 -44.1 -17.4 -4.8 -57.6 147 167 A E H < S+ 0 0 80 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.865 112.1 48.8 -62.6 -35.1 -20.4 -2.5 -58.5 148 168 A N H < S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.761 106.2 55.1 -76.8 -27.1 -22.4 -5.5 -59.7 149 169 A L H < 0 0 55 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.679 360.0 360.0 -77.7 -16.7 -21.7 -7.7 -56.6 150 170 A R < 0 0 138 -4,-1.0 -71,-0.1 -3,-0.3 -72,-0.1 -0.096 360.0 360.0 -44.1 360.0 -23.1 -4.9 -54.4 151 !* 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 0.0 152 16 B A 0 0 85 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 173.9 -6.8 31.6 -45.4 153 17 B N > - 0 0 140 1,-0.0 4,-3.0 0, 0.0 5,-0.3 -0.393 360.0 -76.6-103.7-172.9 -9.9 33.8 -44.8 154 18 B R H > S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 126.8 43.1 -51.9 -52.9 -13.1 33.2 -42.9 155 19 B A H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 117.6 44.5 -66.8 -43.6 -14.8 31.0 -45.4 156 20 B G H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 112.9 50.8 -65.1 -47.8 -11.8 28.9 -46.3 157 21 B R H X S+ 0 0 26 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.905 109.3 51.8 -56.6 -41.7 -10.8 28.4 -42.7 158 22 B Q H X S+ 0 0 23 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.855 106.3 53.6 -69.0 -31.3 -14.3 27.3 -41.8 159 23 B A H X S+ 0 0 39 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.920 109.2 49.2 -64.4 -44.2 -14.3 24.7 -44.6 160 24 B R H X S+ 0 0 18 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.899 108.2 54.9 -58.0 -43.1 -11.0 23.3 -43.2 161 25 B I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.913 106.2 50.1 -60.0 -44.2 -12.7 23.2 -39.8 162 26 B V H X S+ 0 0 57 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.937 112.9 47.0 -59.4 -44.7 -15.5 21.1 -41.1 163 27 B A H >X S+ 0 0 21 -4,-2.1 4,-1.0 1,-0.2 3,-0.6 0.937 113.2 49.3 -61.8 -45.3 -13.1 18.7 -42.7 164 28 B I H >X S+ 0 0 9 -4,-3.2 4,-1.5 1,-0.2 3,-0.5 0.899 107.5 54.3 -60.0 -43.9 -11.0 18.6 -39.4 165 29 B L H 3< S+ 0 0 13 -4,-2.9 5,-0.2 1,-0.2 -1,-0.2 0.710 105.4 52.7 -68.6 -22.0 -14.1 17.9 -37.2 166 30 B S H << S+ 0 0 86 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.759 115.9 38.1 -85.1 -24.1 -15.2 14.9 -39.2 167 31 B S H << S+ 0 0 35 -4,-1.0 2,-0.3 -3,-0.5 -2,-0.2 0.564 118.4 46.5-103.0 -11.8 -11.9 13.1 -39.1 168 32 B A S < S- 0 0 16 -4,-1.5 2,-0.8 -5,-0.2 571,-0.0 -0.837 77.6-122.9-123.7 166.7 -10.9 14.0 -35.5 169 33 B Q - 0 0 21 -2,-0.3 2,-0.6 44,-0.0 46,-0.1 -0.860 34.3-163.6-108.6 95.8 -12.6 14.0 -32.2 170 34 B V + 0 0 0 -2,-0.8 44,-2.8 44,-0.4 3,-0.1 -0.712 20.1 172.8 -96.1 115.6 -12.2 17.6 -31.1 171 35 B R + 0 0 67 -2,-0.6 2,-0.3 42,-0.2 -1,-0.2 0.597 65.6 16.3 -94.4 -15.5 -12.9 18.2 -27.4 172 36 B S S > S- 0 0 30 1,-0.1 4,-2.0 42,-0.1 -1,-0.1 -0.988 70.0-114.0-156.4 162.6 -11.8 21.9 -27.2 173 37 B Q H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.819 117.1 61.0 -71.6 -29.3 -11.1 24.9 -29.3 174 38 B N H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 105.2 47.2 -59.2 -42.8 -7.5 24.6 -28.1 175 39 B E H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 109.9 53.1 -64.6 -43.4 -7.3 21.2 -29.8 176 40 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.904 106.1 53.7 -59.7 -40.9 -8.9 22.6 -33.0 177 41 B A H X S+ 0 0 28 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.877 108.5 49.1 -61.0 -38.6 -6.3 25.3 -33.0 178 42 B A H X S+ 0 0 20 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.925 110.8 49.9 -68.2 -43.5 -3.5 22.7 -32.9 179 43 B L H X S+ 0 0 9 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.896 114.1 45.7 -57.9 -40.8 -5.2 20.7 -35.8 180 44 B L H ><>S+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 3,-1.0 0.896 108.9 54.7 -71.0 -39.9 -5.4 23.9 -37.8 181 45 B A H ><5S+ 0 0 28 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.843 97.8 65.6 -64.3 -29.6 -1.8 24.9 -37.0 182 46 B A H 3<5S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.801 105.6 43.6 -61.7 -30.0 -0.7 21.5 -38.4 183 47 B E T <<5S- 0 0 23 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 -0.017 129.3 -95.3-106.1 31.5 -1.9 22.6 -41.8 184 48 B G T < 5S+ 0 0 36 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.369 84.0 127.9 82.7 -3.2 -0.4 26.1 -41.5 185 49 B I < - 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