==== 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 06-JAN-10 3LAJ . 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,MYCOBACTERIUM . 917 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 658 71.8 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 15.0 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 . 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 . 64 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 6 5 16 6 0 3 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 15 A A 0 0 140 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 111.1 -27.3 6.7 -56.9 2 16 A A - 0 0 42 2,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.924 360.0-110.3-134.1 157.6 -23.6 6.2 -55.9 3 17 A N > - 0 0 141 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.323 42.7 -90.1 -84.7 171.0 -20.4 8.2 -56.1 4 18 A R H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.887 127.1 45.1 -42.8 -49.5 -17.4 7.7 -58.3 5 19 A A H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 113.3 47.0 -71.2 -40.4 -15.8 5.4 -55.7 6 20 A G H > S+ 0 0 36 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 112.6 51.0 -64.7 -45.9 -18.8 3.3 -54.9 7 21 A R H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.872 108.9 51.1 -57.0 -38.4 -19.7 2.8 -58.5 8 22 A Q H X S+ 0 0 24 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.856 106.1 53.5 -74.3 -34.6 -16.1 1.7 -59.3 9 23 A A H X S+ 0 0 56 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.927 110.7 48.0 -61.4 -46.5 -16.1 -0.9 -56.5 10 24 A R H X S+ 0 0 12 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.915 109.2 54.7 -57.5 -41.8 -19.3 -2.3 -58.0 11 25 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.947 107.1 49.2 -58.7 -46.6 -17.6 -2.2 -61.4 12 26 A V H X S+ 0 0 62 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.865 112.8 48.4 -59.7 -36.4 -14.7 -4.3 -60.1 13 27 A A H >X S+ 0 0 24 -4,-1.8 4,-1.5 2,-0.2 3,-0.6 0.929 112.0 48.1 -71.9 -45.5 -17.2 -6.7 -58.6 14 28 A I H 3X S+ 0 0 6 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.908 106.5 57.1 -58.1 -45.5 -19.2 -7.0 -61.9 15 29 A L H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 5,-0.2 0.726 108.8 46.7 -63.5 -22.4 -16.2 -7.5 -64.0 16 30 A S H << S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.819 116.9 41.6 -89.7 -29.4 -15.2 -10.6 -62.0 17 31 A S H < S+ 0 0 36 -4,-1.5 2,-0.3 -3,-0.2 -2,-0.2 0.604 118.3 40.1 -92.0 -11.2 -18.6 -12.2 -61.9 18 32 A A S < S- 0 0 8 -4,-1.7 2,-0.8 -5,-0.1 0, 0.0 -0.884 77.9-117.2-135.6 162.7 -19.6 -11.5 -65.6 19 33 A Q - 0 0 25 -2,-0.3 2,-0.7 44,-0.0 -3,-0.1 -0.900 36.5-168.5-102.2 107.8 -18.1 -11.6 -69.0 20 34 A V + 0 0 0 -2,-0.8 44,-2.9 44,-0.4 3,-0.1 -0.900 17.8 172.2-109.2 118.0 -18.4 -8.0 -70.1 21 35 A R + 0 0 69 -2,-0.7 2,-0.3 42,-0.2 -1,-0.1 0.526 64.4 20.9 -99.9 -14.1 -17.7 -7.3 -73.8 22 36 A S > - 0 0 43 1,-0.1 4,-2.1 42,-0.1 -1,-0.2 -1.000 69.6-116.9-155.5 160.2 -18.7 -3.7 -74.0 23 37 A Q H > S+ 0 0 27 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.864 114.9 57.0 -66.7 -34.4 -19.3 -0.6 -72.0 24 38 A N H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 107.3 49.7 -61.1 -38.0 -23.0 -0.6 -73.0 25 39 A E H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 108.3 52.2 -65.8 -42.3 -23.2 -4.0 -71.5 26 40 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 106.4 54.9 -62.5 -39.7 -21.5 -2.8 -68.3 27 41 A A H X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.876 107.8 48.7 -59.8 -37.4 -24.1 0.0 -68.1 28 42 A A H X S+ 0 0 21 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.907 109.4 52.3 -70.6 -39.4 -27.0 -2.5 -68.2 29 43 A L H < S+ 0 0 10 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.891 113.4 44.2 -63.6 -35.4 -25.4 -4.6 -65.5 30 44 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 3,-1.1 0.874 109.0 56.2 -78.4 -34.8 -25.1 -1.4 -63.3 31 45 A A H ><5S+ 0 0 38 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.791 95.6 67.1 -64.6 -25.9 -28.6 -0.3 -64.2 32 46 A A T 3<5S+ 0 0 3 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.767 105.3 42.4 -67.8 -25.9 -29.9 -3.7 -62.9 33 47 A E T < 5S- 0 0 21 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 -0.002 129.2 -98.6-106.5 28.6 -28.8 -2.6 -59.4 34 48 A G T < 5S+ 0 0 27 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.468 81.7 132.1 74.0 4.7 -30.2 0.9 -60.0 35 49 A I < - 0 0 16 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.812 34.7-171.6 -89.2 111.6 -26.9 2.7 -60.9 36 50 A E + 0 0 165 -2,-0.8 2,-0.3 -5,-0.1 -8,-0.1 -0.889 19.8 143.1-107.5 111.0 -27.5 4.8 -64.0 37 51 A V - 0 0 38 -2,-0.7 2,-0.1 -10,-0.2 -6,-0.1 -0.885 43.5-108.1-133.6 168.8 -24.5 6.4 -65.8 38 52 A T > - 0 0 91 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.451 31.4-105.2 -92.0 171.6 -23.5 7.0 -69.3 39 53 A Q H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.876 118.2 60.6 -62.0 -40.5 -20.9 5.3 -71.5 40 54 A A H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 105.5 48.3 -52.5 -49.9 -18.6 8.4 -71.2 41 55 A T H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.894 111.2 49.5 -60.0 -40.7 -18.5 7.9 -67.5 42 56 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.868 105.8 55.9 -68.7 -37.2 -17.7 4.2 -67.7 43 57 A S H X S+ 0 0 47 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.972 112.5 44.4 -55.5 -49.1 -14.9 4.9 -70.2 44 58 A R H X S+ 0 0 146 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 113.4 50.4 -62.8 -41.3 -13.5 7.2 -67.5 45 59 A D H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.920 109.9 48.9 -61.0 -42.9 -14.1 4.6 -64.8 46 60 A L H X>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 4,-0.5 0.897 111.7 50.0 -72.1 -35.8 -12.5 1.8 -66.6 47 61 A E H ><5S+ 0 0 60 -4,-2.2 463,-1.8 -5,-0.3 3,-1.6 0.956 110.6 48.2 -60.4 -50.3 -9.4 4.0 -67.3 48 62 A E H 3<5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.919 113.6 49.7 -58.4 -40.9 -9.1 5.1 -63.7 49 63 A L H 3<5S- 0 0 29 -4,-2.6 -1,-0.3 -5,-0.2 460,-0.2 0.574 109.6-125.0 -68.6 -13.4 -9.4 1.4 -62.7 50 64 A G T <<5 + 0 0 2 -3,-1.6 -3,-0.2 -4,-0.5 457,-0.2 0.793 48.2 171.8 64.3 27.7 -6.8 0.3 -65.3 51 65 A A < - 0 0 0 -5,-2.8 2,-0.4 -6,-0.2 15,-0.3 -0.465 13.8-161.4 -67.6 139.1 -9.3 -2.1 -66.8 52 66 A V E -A 65 0A 7 13,-3.0 13,-2.6 -2,-0.1 2,-1.0 -0.943 24.1-123.3-123.0 148.4 -8.2 -3.7 -70.0 53 67 A K E -A 64 0A 76 452,-0.4 452,-0.4 -2,-0.4 2,-0.3 -0.787 44.6-162.1 -89.4 99.7 -10.1 -5.4 -72.7 54 68 A L E +A 63 0A 18 9,-2.5 9,-1.7 -2,-1.0 2,-0.3 -0.675 23.9 153.3 -98.4 138.3 -8.3 -8.7 -72.7 55 69 A R - 0 0 42 -2,-0.3 5,-0.1 7,-0.2 3,-0.1 -0.980 28.4-134.9-152.0 153.2 -8.2 -11.6 -75.2 56 70 A G > - 0 0 23 -2,-0.3 3,-1.8 1,-0.2 2,-0.2 -0.183 56.2 -45.5 -94.7-164.9 -5.7 -14.3 -76.1 57 71 A A T 3 S+ 0 0 70 1,-0.3 443,-0.2 444,-0.2 -1,-0.2 -0.475 133.3 0.4 -71.1 130.8 -4.4 -15.5 -79.5 58 72 A D T 3 S+ 0 0 97 441,-1.6 -1,-0.3 -2,-0.2 442,-0.2 0.795 98.6 141.6 57.8 32.2 -7.3 -15.8 -82.0 59 73 A G X - 0 0 15 -3,-1.8 3,-0.6 440,-0.7 -3,-0.1 0.218 49.8-135.2 -97.9 14.5 -9.3 -14.7 -79.0 60 74 A G T 3 - 0 0 15 1,-0.2 -1,-0.3 439,-0.1 -2,-0.1 -0.432 59.0 -23.4 73.9-140.4 -11.9 -12.5 -80.7 61 75 A T T 3 S- 0 0 88 1,-0.2 -1,-0.2 -2,-0.1 -6,-0.1 0.684 87.9-122.5 -92.7 -23.8 -12.9 -9.0 -79.4 62 76 A G < - 0 0 2 -3,-0.6 2,-0.3 511,-0.2 -7,-0.2 -0.098 9.2-118.4 104.1 158.5 -12.0 -9.2 -75.7 63 77 A I E -A 54 0A 12 -9,-1.7 -9,-2.5 -11,-0.1 2,-0.3 -0.964 36.0-101.0-130.7 151.6 -13.8 -8.9 -72.3 64 78 A Y E +A 53 0A 23 -44,-2.9 -44,-0.4 -2,-0.3 2,-0.3 -0.533 43.8 167.4 -77.1 134.6 -12.9 -6.3 -69.7 65 79 A V E -A 52 0A 19 -13,-2.6 -13,-3.0 -2,-0.3 462,-0.1 -0.994 28.8-140.4-139.1 148.4 -10.9 -7.3 -66.7 66 80 A V - 0 0 40 -2,-0.3 -15,-0.2 -15,-0.3 -16,-0.1 -0.951 36.9-112.8-108.4 126.1 -9.2 -5.3 -64.0 67 81 A P 0 0 16 0, 0.0 460,-0.1 0, 0.0 458,-0.1 -0.111 360.0 360.0 -66.2 152.9 -5.8 -6.7 -63.0 68 82 A E 0 0 198 0, 0.0 459,-0.2 0, 0.0 457,-0.0 0.725 360.0 360.0 96.6 360.0 -4.8 -8.3 -59.7 69 ! 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 70 90 A V 0 0 151 0, 0.0 44,-0.1 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 160.8 -18.0 -6.0 -46.8 71 91 A S - 0 0 73 42,-0.4 43,-0.1 43,-0.1 44,-0.1 0.669 360.0-111.6-117.0 -32.7 -18.8 -4.4 -50.2 72 92 A G S S+ 0 0 46 41,-0.2 -62,-0.1 42,-0.2 42,-0.1 0.943 76.8 135.4 60.0 60.1 -21.6 -1.9 -49.5 73 93 A G > + 0 0 4 37,-0.1 4,-1.6 40,-0.1 41,-0.2 -0.527 24.8 101.0 102.7 -66.6 -23.2 -3.7 -51.0 74 94 A T H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.726 84.0 57.3 -68.5 -20.5 -26.0 -3.5 -48.4 75 95 A D H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 100.7 52.8 -82.2 -46.4 -27.8 -1.1 -50.6 76 96 A R H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.960 114.9 46.4 -44.1 -52.8 -28.0 -3.4 -53.6 77 97 A M H X S+ 0 0 0 -4,-1.6 4,-3.4 33,-0.3 5,-0.2 0.932 110.0 48.6 -62.3 -52.1 -29.5 -5.9 -51.2 78 98 A A H X S+ 0 0 27 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.858 110.7 54.7 -59.2 -32.4 -32.0 -3.6 -49.5 79 99 A R H X S+ 0 0 91 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.968 111.9 42.4 -61.8 -52.9 -33.1 -2.6 -53.1 80 100 A L H X S+ 0 0 2 -4,-2.3 4,-3.9 1,-0.2 5,-0.4 0.874 109.7 57.7 -64.9 -37.8 -33.7 -6.2 -54.0 81 101 A L H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.925 104.1 53.6 -56.4 -44.0 -35.4 -6.9 -50.7 82 102 A G H < S+ 0 0 46 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.921 120.4 33.1 -52.2 -40.5 -37.8 -4.1 -51.5 83 103 A E H < S+ 0 0 59 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.842 129.9 26.4 -91.1 -37.9 -38.5 -5.8 -54.8 84 104 A L H < S+ 0 0 1 -4,-3.9 2,-0.9 -5,-0.1 -3,-0.2 0.542 86.0 104.6-110.6 -12.4 -38.2 -9.6 -54.2 85 105 A L < + 0 0 12 -4,-1.8 14,-0.2 -5,-0.4 3,-0.1 -0.648 31.3 164.3 -80.1 108.8 -39.0 -10.3 -50.4 86 106 A V - 0 0 89 12,-3.3 2,-0.3 -2,-0.9 13,-0.2 0.876 64.2 -18.9 -89.5 -41.5 -42.5 -11.7 -50.2 87 107 A S E -B 98 0B 47 11,-1.3 11,-2.8 2,-0.0 -1,-0.3 -0.987 52.2-148.7-161.7 160.6 -42.3 -13.0 -46.6 88 108 A T E +B 97 0B 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.925 20.3 159.9-133.1 158.0 -39.9 -14.0 -43.8 89 109 A D E -B 96 0B 51 7,-1.3 7,-3.2 -2,-0.3 2,-0.3 -0.895 16.5-155.9-164.5 179.8 -40.2 -16.6 -41.1 90 110 A D E -B 95 0B 43 5,-0.3 196,-0.3 -2,-0.3 2,-0.2 -0.989 16.5-169.0-164.3 161.0 -37.7 -18.4 -38.8 91 111 A S E > -B 94 0B 0 3,-2.3 3,-2.2 -2,-0.3 153,-0.1 -0.814 67.4 -43.9-161.0 125.7 -36.9 -21.4 -36.6 92 112 A G T 3 S- 0 0 27 1,-0.3 47,-2.8 -2,-0.2 48,-0.5 -0.323 128.1 -11.1 54.6-124.4 -34.0 -21.7 -34.3 93 113 A N T 3 S+ 0 0 20 45,-0.3 40,-3.0 46,-0.2 2,-0.4 0.126 120.2 89.4 -91.3 18.9 -30.9 -20.3 -36.1 94 114 A L E < -BC 91 132B 0 -3,-2.2 -3,-2.3 38,-0.2 2,-0.4 -0.956 54.5-161.8-120.7 136.5 -32.6 -20.1 -39.5 95 115 A A E -BC 90 131B 0 36,-2.2 36,-2.7 -2,-0.4 2,-0.5 -0.899 16.4-150.7-103.3 143.7 -34.5 -17.3 -41.2 96 116 A V E -BC 89 130B 2 -7,-3.2 -7,-1.3 -2,-0.4 2,-0.4 -0.978 11.9-166.2-118.9 123.4 -36.6 -18.5 -44.1 97 117 A L E -BC 88 129B 0 32,-3.0 32,-2.2 -2,-0.5 2,-0.4 -0.918 6.8-152.1-115.2 139.6 -37.3 -16.0 -46.9 98 118 A R E +BC 87 128B 60 -11,-2.8 -12,-3.3 -2,-0.4 -11,-1.3 -0.910 18.5 171.0-112.0 135.1 -39.9 -16.3 -49.7 99 119 A T - 0 0 7 28,-2.0 -14,-0.1 -2,-0.4 3,-0.1 -0.776 43.8 -79.7-127.7 170.5 -39.4 -14.6 -53.0 100 120 A P S > S- 0 0 29 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.274 73.5 -66.5 -67.4 166.1 -41.4 -14.9 -56.3 101 121 A P T 3 S+ 0 0 68 0, 0.0 26,-0.2 0, 0.0 777,-0.1 -0.243 121.8 8.4 -64.9 141.9 -40.6 -18.0 -58.3 102 122 A G T 3 S+ 0 0 4 24,-0.5 773,-0.6 -3,-0.1 4,-0.4 0.266 105.5 97.5 76.5 -12.5 -37.1 -18.1 -59.8 103 123 A A <> + 0 0 0 -3,-2.2 4,-2.3 1,-0.2 5,-0.3 0.659 54.7 86.7 -87.5 -11.6 -36.1 -15.1 -57.8 104 124 A A H > S+ 0 0 0 22,-1.8 4,-2.7 -4,-0.4 -1,-0.2 0.853 87.6 47.7 -61.4 -41.8 -34.4 -16.8 -54.8 105 125 A H H > S+ 0 0 46 -3,-0.3 4,-2.4 20,-0.3 -1,-0.2 0.909 112.2 53.0 -67.0 -36.5 -30.8 -17.2 -56.3 106 126 A Y H > S+ 0 0 2 765,-0.5 4,-1.4 -4,-0.4 -2,-0.2 0.945 114.2 39.3 -62.3 -54.7 -30.9 -13.6 -57.3 107 127 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.927 115.2 53.9 -60.3 -45.6 -31.9 -12.2 -53.9 108 128 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.882 105.4 52.1 -62.3 -37.6 -29.6 -14.7 -52.1 109 129 A S H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.891 109.3 50.7 -66.2 -37.0 -26.5 -13.7 -54.1 110 130 A A H X S+ 0 0 1 -4,-1.4 4,-1.2 2,-0.2 -33,-0.3 0.895 110.5 50.4 -64.3 -39.9 -27.2 -10.0 -53.2 111 131 A I H X>S+ 0 0 2 -4,-2.6 5,-0.5 1,-0.2 4,-0.5 0.942 109.6 50.0 -62.6 -47.9 -27.5 -11.2 -49.5 112 132 A D H ><5S+ 0 0 29 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.893 108.4 53.0 -53.6 -43.3 -24.1 -13.0 -49.8 113 133 A R H 3<5S+ 0 0 63 -4,-2.0 -42,-0.4 1,-0.3 -1,-0.2 0.759 98.9 62.4 -70.4 -25.1 -22.4 -10.0 -51.3 114 134 A A H 3<5S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.660 92.7-152.4 -71.3 -15.0 -23.5 -7.7 -48.5 115 135 A A T <<5 - 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0 0 58 -3,-0.1 4,-2.2 1,-0.1 -45,-0.2 -0.603 20.5-111.7-102.3 167.3 -20.8 -26.0 -86.3 597 159 D G H > S+ 0 0 0 -47,-2.8 4,-3.0 1,-0.2 -46,-0.2 0.852 119.3 56.2 -65.1 -32.6 -21.4 -27.9 -83.2 598 160 D A H > S+ 0 0 46 -48,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.897 107.5 46.6 -68.1 -39.4 -19.1 -30.6 -84.6 599 161 D Q H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 114.3 48.3 -67.3 -40.1 -16.2 -28.2 -85.0 600 162 D L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.937 110.6 50.7 -67.2 -44.8 -16.8 -26.9 -81.5 601 163 D A H X S+ 0 0 6 -4,-3.0 4,-3.4 2,-0.2 -1,-0.2 0.917 110.5 49.4 -55.7 -44.5 -17.0 -30.3 -80.0 602 164 D G H X S+ 0 0 29 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.890 107.4 55.3 -67.2 -37.7 -13.7 -31.3 -81.8 603 165 D M H < S+ 0 0 56 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.928 112.4 42.0 -56.4 -45.4 -12.1 -28.2 -80.4 604 166 D F H >X S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-1.2 0.934 111.3 56.4 -69.7 -42.9 -13.2 -29.3 -76.9 605 167 D E H >< S+ 0 0 62 -4,-3.4 3,-0.9 1,-0.3 -2,-0.2 0.913 97.4 63.5 -48.9 -46.6 -12.1 -32.9 -77.6 606 168 D N T 3< S+ 0 0 139 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.240 109.3 39.8 -69.8 20.8 -8.6 -31.7 -78.5 607 169 D L T <4 0 0 66 -3,-1.6 -1,-0.3 -68,-0.1 -2,-0.2 0.410 360.0 360.0-136.9 -20.4 -8.2 -30.5 -74.9 608 170 D R << 0 0 114 -4,-1.2 -2,-0.1 -3,-0.9 -3,-0.1 0.524 360.0 360.0 -43.8 360.0 -9.9 -33.4 -73.2 609 !* 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 0.0 610 17 E N > 0 0 163 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-150.9 -35.6 -61.7 -96.9 611 18 E R H > + 0 0 147 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.989 360.0 47.3 -71.4 -63.0 -34.6 -59.6 -93.9 612 19 E A H 4 S+ 0 0 70 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.712 116.5 49.2 -53.6 -20.5 -37.4 -60.5 -91.4 613 20 E G H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.1 3,-0.4 0.857 107.0 50.9 -87.9 -41.5 -36.7 -64.1 -92.3 614 21 E R H X S+ 0 0 35 -4,-1.7 4,-2.0 -3,-0.4 -2,-0.2 0.828 108.4 55.9 -60.2 -32.0 -32.9 -63.9 -91.9 615 22 E Q H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.760 104.5 51.6 -77.0 -22.5 -33.6 -62.4 -88.5 616 23 E A H > S+ 0 0 58 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.878 107.9 51.7 -77.0 -41.6 -35.7 -65.4 -87.6 617 24 E R H X S+ 0 0 95 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.889 112.5 48.6 -55.6 -41.1 -32.8 -67.7 -88.6 618 25 E I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.965 107.7 50.4 -68.6 -51.5 -30.7 -65.6 -86.3 619 26 E V H X S+ 0 0 57 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.892 116.7 46.2 -51.9 -36.9 -33.0 -65.7 -83.3 620 27 E A H < S+ 0 0 38 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.966 111.5 46.9 -71.5 -56.1 -33.0 -69.4 -83.8 621 28 E I H >X S+ 0 0 8 -4,-3.1 4,-1.3 1,-0.2 3,-1.0 0.870 113.2 52.4 -51.0 -40.1 -29.3 -70.0 -84.3 622 29 E L H 3< S+ 0 0 6 -4,-2.8 3,-0.4 1,-0.3 5,-0.2 0.925 106.3 49.1 -69.2 -46.2 -28.5 -67.8 -81.3 623 30 E S T 3< S+ 0 0 98 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.360 119.5 39.7 -79.1 9.8 -30.8 -69.5 -78.8 624 31 E S T <4 S+ 0 0 101 -3,-1.0 2,-0.2 -4,-0.3 -1,-0.2 0.463 118.8 35.7-133.5 -13.5 -29.4 -72.9 -79.8 625 32 E A S < S- 0 0 39 -4,-1.3 2,-0.6 -3,-0.4 -1,-0.0 -0.699 82.3-107.7-126.9-175.4 -25.7 -72.3 -80.2 626 33 E Q - 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