==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 03-NOV-09 3KJX . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, LACI FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI; . AUTHOR K.PALANI,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 1334 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 908 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 182 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 1 0.1 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 . 5 0.4 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 . 74 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 5 4 3 1 0 9 6 7 3 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 1 7 16 3 5 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 . 2 4 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 . 4 0 0 4 0 0 0 0 0 0 2 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 8 A P 0 0 126 0, 0.0 471,-0.3 0, 0.0 388,-0.1 0.000 360.0 360.0 360.0 -46.6 44.8 52.5 17.4 2 9 A L + 0 0 40 469,-0.1 2,-0.2 467,-0.1 387,-0.1 0.727 360.0 170.0 15.5 128.9 45.1 53.1 13.6 3 10 A T >> - 0 0 54 42,-0.1 3,-1.3 385,-0.1 4,-0.6 -0.715 47.5 -69.1-142.7-169.9 44.0 56.4 12.0 4 11 A L H >> S+ 0 0 64 1,-0.3 4,-1.4 2,-0.2 3,-1.2 0.872 118.6 66.0 -54.4 -46.8 43.9 58.8 9.0 5 12 A R H 34 S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.375 105.3 51.2 -61.4 10.8 47.6 59.5 9.1 6 13 A D H <> S+ 0 0 60 -3,-1.3 4,-0.9 2,-0.1 -1,-0.3 0.630 95.5 60.9-118.9 -29.4 47.8 55.8 8.2 7 14 A V H S+ 0 0 113 -7,-0.1 4,-0.6 -8,-0.1 -1,-0.1 -0.361 111.1 71.6 154.8 -55.9 46.4 63.7 4.0 16 23 A X H >> S+ 0 0 149 2,-0.1 3,-1.0 1,-0.1 4,-0.8 0.956 92.7 53.6 -46.1 -68.2 44.0 66.2 2.6 17 24 A T H >> S+ 0 0 29 1,-0.2 3,-1.3 2,-0.2 4,-0.8 0.877 89.3 70.4 -35.9 -83.0 42.4 63.9 -0.0 18 25 A V H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.538 103.5 46.1 -6.9 -54.4 41.3 60.8 2.1 19 26 A S H S+ 0 0 107 -3,-1.3 5,-2.5 -4,-0.8 6,-0.9 0.684 117.2 38.2 -44.2 -22.6 37.1 64.6 0.6 21 28 A V H ><5S+ 0 0 0 -4,-0.8 3,-1.9 -3,-0.4 -1,-0.2 0.843 104.8 61.9 -98.9 -45.2 36.5 61.0 -0.7 22 29 A L H 3<5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.802 115.0 35.3 -54.0 -33.9 35.3 59.1 2.4 23 30 A R T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 24,-0.0 -2,-0.1 0.030 114.8-108.8-111.6 26.5 32.3 61.3 2.8 24 31 A N T < 5 + 0 0 125 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.955 69.8 143.1 44.3 74.1 31.5 61.9 -0.8 25 32 A R < + 0 0 172 -5,-2.5 -4,-0.1 -6,-0.1 -5,-0.1 0.818 52.0 13.9-105.4 -76.3 32.6 65.6 -0.7 26 33 A G S S- 0 0 26 -6,-0.9 0, 0.0 1,-0.0 0, 0.0 0.279 88.4 -86.2 -83.4-148.8 34.4 66.9 -3.8 27 34 A D + 0 0 142 -3,-0.0 6,-0.1 6,-0.0 -2,-0.0 0.927 52.5 164.6 -87.5 -75.7 34.7 65.5 -7.3 28 35 A V - 0 0 29 4,-0.1 5,-0.1 2,-0.0 -3,-0.0 0.871 49.6 -88.9 54.4 111.1 37.7 63.1 -7.3 29 36 A S >> - 0 0 63 1,-0.2 4,-1.8 3,-0.1 3,-0.7 0.055 38.5-103.0 -43.9 152.1 37.8 60.8 -10.4 30 37 A D H 3> S+ 0 0 158 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.536 123.6 53.2 -57.4 -4.3 36.1 57.4 -10.2 31 38 A A H 34 S+ 0 0 60 2,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.791 104.0 48.5-100.6 -37.7 39.6 56.0 -9.7 32 39 A T H <> S+ 0 0 20 -3,-0.7 4,-1.4 2,-0.2 3,-0.3 0.751 109.7 57.9 -73.9 -24.4 40.9 58.1 -6.8 33 40 A R H >X S+ 0 0 42 -4,-1.8 4,-1.9 1,-0.2 3,-0.8 0.999 110.9 36.8 -66.1 -69.4 37.6 57.4 -5.0 34 41 A A H 3< S+ 0 0 63 -4,-0.6 -1,-0.2 1,-0.2 4,-0.2 0.322 110.6 74.9 -67.2 12.4 37.8 53.6 -5.0 35 42 A R H 34 S+ 0 0 113 -3,-0.3 4,-0.4 3,-0.1 -1,-0.2 0.899 106.2 23.4 -89.2 -53.5 41.5 54.3 -4.4 36 43 A V H S+ 0 0 49 -5,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.714 112.0 56.8 -70.9 -20.7 39.9 50.2 -1.0 39 46 A A H > S+ 0 0 13 -4,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.853 110.6 41.7 -77.4 -36.6 43.1 51.3 0.8 40 47 A A H X>S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 5,-1.8 0.750 107.9 62.1 -79.8 -26.6 41.3 51.8 4.1 41 48 A K H <5S+ 0 0 122 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.759 102.6 50.9 -69.9 -26.0 39.3 48.6 3.5 42 49 A E H <5S+ 0 0 165 -4,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.778 115.3 42.8 -79.6 -29.1 42.6 46.7 3.6 43 50 A L H <5S- 0 0 50 -4,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.744 109.7-119.1 -87.5 -28.3 43.5 48.3 6.8 44 51 A G T <5 + 0 0 5 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.555 56.0 156.7 98.0 10.2 40.1 48.0 8.5 45 52 A Y < - 0 0 19 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.550 24.2-162.5 -71.9 131.0 39.7 51.8 8.9 46 53 A V - 0 0 10 -2,-0.3 3,-0.1 400,-0.1 403,-0.0 -0.976 22.4-112.1-120.2 125.7 36.0 52.7 9.3 47 54 A P - 0 0 18 0, 0.0 2,-1.0 0, 0.0 402,-0.2 -0.109 31.1-109.7 -51.5 146.7 34.9 56.3 8.7 48 55 A N + 0 0 14 1,-0.2 400,-0.2 400,-0.1 399,-0.1 -0.734 44.4 169.3 -82.1 106.3 33.6 58.2 11.7 49 56 A K + 0 0 100 398,-2.3 399,-0.2 -2,-1.0 -1,-0.2 0.567 68.0 55.8 -95.4 -10.7 29.8 58.4 10.9 50 57 A I + 0 0 9 397,-1.3 2,-0.5 336,-0.1 398,-0.1 0.793 69.3 108.2 -92.8 -31.7 28.7 59.7 14.3 51 58 A A + 0 0 49 335,-0.1 2,-0.3 334,-0.1 334,-0.1 -0.277 63.5 95.9 -50.0 99.5 30.8 62.9 14.7 52 59 A G S S- 0 0 25 332,-1.0 332,-0.1 -2,-0.5 334,-0.1 -0.971 71.3 -71.2-179.4 167.4 27.9 65.3 14.1 53 60 A A - 0 0 59 -2,-0.3 -1,-0.1 5,-0.1 3,-0.0 0.282 53.7 -84.4 -60.4-173.9 25.3 67.6 15.6 54 61 A L S > S- 0 0 63 328,-0.1 3,-0.6 4,-0.1 283,-0.1 0.621 87.7 -12.3 -66.4-134.8 22.0 66.9 17.3 55 62 A A T 3 S+ 0 0 23 1,-0.2 2,-2.2 3,-0.1 62,-0.1 0.051 121.7 45.6 -59.7 179.6 18.8 66.2 15.4 56 63 A S T 3 S+ 0 0 123 82,-0.1 2,-0.7 1,-0.1 -1,-0.2 -0.327 116.4 52.8 77.3 -53.7 18.6 66.9 11.6 57 64 A N S < S+ 0 0 88 -2,-2.2 2,-0.2 -3,-0.6 -1,-0.1 -0.796 83.0 156.5-112.7 85.3 22.0 65.2 11.3 58 65 A R - 0 0 53 -2,-0.7 2,-0.1 1,-0.1 57,-0.1 -0.605 42.4-101.5-107.9 167.8 21.5 61.8 13.0 59 66 A V - 0 0 3 56,-2.0 58,-0.2 55,-0.4 2,-0.1 -0.466 35.3-108.7 -84.5 160.8 23.2 58.4 12.8 60 67 A N S S+ 0 0 13 -2,-0.1 31,-4.0 56,-0.1 2,-0.4 0.070 77.8 127.9 -78.3 28.2 21.6 55.5 10.9 61 68 A L E -a 91 0A 2 54,-0.2 56,-2.7 29,-0.2 57,-1.1 -0.731 44.5-161.5 -90.9 128.8 20.9 53.8 14.3 62 69 A V E -ab 92 118A 0 29,-2.6 31,-2.2 -2,-0.4 2,-0.5 -0.945 18.3-136.8-111.4 114.7 17.3 52.6 15.0 63 70 A A E -ab 93 119A 0 55,-2.9 57,-3.9 -2,-0.6 2,-0.6 -0.586 18.7-172.9 -77.8 120.1 16.7 52.0 18.7 64 71 A V E -ab 94 120A 3 29,-2.8 31,-3.1 -2,-0.5 2,-0.7 -0.930 6.6-175.1-114.4 105.2 14.8 48.9 19.6 65 72 A I E +ab 95 121A 1 55,-2.4 57,-2.2 -2,-0.6 31,-0.2 -0.904 13.7 160.0-108.2 111.8 14.0 48.9 23.3 66 73 A I E -a 96 0A 4 29,-2.6 31,-2.4 -2,-0.7 32,-0.4 -0.863 43.2-125.4-129.7 162.6 12.4 45.7 24.6 67 74 A P S S+ 0 0 5 0, 0.0 31,-1.5 0, 0.0 2,-0.3 0.849 82.9 4.3 -76.0 -37.3 11.9 44.0 28.0 68 75 A S - 0 0 16 30,-0.1 6,-0.3 29,-0.1 5,-0.1 -1.000 29.2-175.7-155.3 151.6 13.3 40.5 27.3 69 76 A L S S+ 0 0 4 -2,-0.3 341,-0.1 340,-0.1 -1,-0.1 0.295 82.7 80.8-120.2 -0.3 15.1 38.3 24.9 70 77 A S S S+ 0 0 60 339,-0.1 2,-0.1 338,-0.1 340,-0.1 0.608 86.1 57.8 -84.5 -16.8 14.8 35.3 27.2 71 78 A N S S- 0 0 32 150,-0.0 148,-0.0 338,-0.0 150,-0.0 -0.065 96.4-113.6 -90.0-157.1 11.2 34.4 26.3 72 79 A X S S+ 0 0 35 -2,-0.1 205,-0.2 2,-0.1 4,-0.2 0.005 91.8 88.0-134.3 31.5 10.5 33.7 22.6 73 80 A V S >> S+ 0 0 13 -5,-0.1 4,-0.9 2,-0.1 3,-0.9 0.923 90.8 36.2 -88.8 -66.8 8.3 36.6 21.8 74 81 A F H 3> S+ 0 0 5 -6,-0.3 4,-3.1 1,-0.2 5,-0.3 0.712 100.0 71.9 -66.3 -26.5 10.8 39.4 20.8 75 82 A P H 3> S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.911 106.3 44.3 -57.0 -33.8 13.4 37.3 19.0 76 83 A E H <> S+ 0 0 55 -3,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.844 110.3 53.7 -74.8 -36.5 10.7 37.0 16.3 77 84 A V H X S+ 0 0 3 -4,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.931 109.9 47.5 -63.7 -46.5 9.8 40.7 16.5 78 85 A L H X S+ 0 0 8 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.852 107.7 56.9 -63.7 -34.4 13.4 41.7 15.9 79 86 A T H X S+ 0 0 42 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.889 108.1 47.4 -64.2 -37.5 13.5 39.2 13.0 80 87 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.939 110.1 52.6 -67.6 -46.1 10.6 41.1 11.4 81 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 109.5 49.8 -54.7 -46.3 12.3 44.4 12.0 82 89 A N H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.935 103.5 57.1 -61.5 -49.7 15.5 43.2 10.3 83 90 A Q H < S+ 0 0 83 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.906 112.5 42.9 -47.2 -49.0 13.8 41.8 7.2 84 91 A V H >< S+ 0 0 26 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.923 121.0 38.4 -66.1 -47.8 12.3 45.3 6.5 85 92 A L H 3< S+ 0 0 10 -4,-2.1 4,-0.5 1,-0.2 5,-0.3 0.592 88.6 95.3 -80.9 -9.7 15.4 47.4 7.3 86 93 A E T 3< + 0 0 75 -4,-2.4 2,-3.6 1,-0.2 -1,-0.2 0.712 57.2 94.7 -52.4 -20.6 17.6 44.8 5.7 87 94 A D S < S- 0 0 127 -3,-0.8 3,-0.3 -4,-0.2 -1,-0.2 -0.477 105.3-114.2 -73.1 72.2 17.3 47.1 2.7 88 95 A T S S+ 0 0 95 -2,-3.6 -2,-0.1 1,-0.2 3,-0.1 0.301 87.9 96.3 -15.8 105.9 20.5 48.5 4.1 89 96 A E S S+ 0 0 146 1,-0.6 2,-0.3 -4,-0.5 -1,-0.2 0.070 80.9 34.2-160.1 -63.7 19.8 52.1 5.2 90 97 A L S S- 0 0 15 -5,-0.3 -1,-0.6 -3,-0.3 -29,-0.2 -0.776 70.5-137.9-108.3 149.1 19.1 52.0 8.9 91 98 A Q E -a 61 0A 4 -31,-4.0 -29,-2.6 -2,-0.3 2,-0.1 -0.914 15.4-146.4-113.1 109.3 20.8 49.7 11.5 92 99 A P E -a 62 0A 8 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.471 18.7-176.4 -71.6 141.6 18.5 48.3 14.2 93 100 A V E -a 63 0A 0 -31,-2.2 -29,-2.8 -2,-0.1 2,-0.4 -0.998 16.5-132.9-140.8 139.1 20.0 47.7 17.6 94 101 A V E -aC 64 428A 3 334,-2.0 334,-2.0 -2,-0.3 2,-0.4 -0.757 16.1-173.9-102.1 140.2 18.5 46.2 20.7 95 102 A G E -a 65 0A 1 -31,-3.1 -29,-2.6 -2,-0.4 2,-0.5 -0.994 17.0-143.2-127.2 133.2 18.4 47.4 24.2 96 103 A V E +a 66 0A 12 -2,-0.4 -28,-0.1 330,-0.2 -31,-0.1 -0.865 19.7 177.0-106.1 131.1 17.0 45.3 27.1 97 104 A T > - 0 0 7 -31,-2.4 3,-1.7 -2,-0.5 6,-0.3 0.549 33.1-136.3-103.9 -14.5 15.0 46.7 30.0 98 105 A D T 3 - 0 0 67 -31,-1.5 -30,-0.1 -32,-0.4 -2,-0.0 0.761 64.7 -71.8 60.7 26.3 14.0 43.6 32.0 99 106 A Y T 3 S+ 0 0 39 1,-0.2 -1,-0.3 -33,-0.1 91,-0.1 0.505 98.8 136.7 70.8 3.4 10.5 45.1 32.4 100 107 A L <> - 0 0 56 -3,-1.7 4,-2.3 1,-0.2 3,-0.4 -0.750 49.4-152.2 -87.5 118.2 11.8 47.6 34.9 101 108 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 26,-0.3 0.895 97.8 54.8 -51.9 -42.4 10.4 51.1 34.3 102 109 A E H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.865 110.3 42.9 -59.8 -42.9 13.6 52.6 35.8 103 110 A K H > S+ 0 0 19 -3,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.813 109.7 56.6 -77.7 -29.3 15.9 50.7 33.4 104 111 A E H X S+ 0 0 17 -4,-2.3 4,-2.1 -7,-0.2 5,-0.2 0.897 109.1 49.1 -64.2 -39.4 13.7 51.4 30.4 105 112 A E H X S+ 0 0 47 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.915 112.6 45.9 -64.6 -46.2 14.1 55.1 31.3 106 113 A K H X S+ 0 0 79 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.836 114.3 48.2 -67.5 -35.7 17.9 54.8 31.6 107 114 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.888 111.3 48.0 -73.4 -42.4 18.3 52.8 28.3 108 115 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.877 110.3 54.3 -65.4 -38.5 16.2 55.1 26.2 109 116 A Y H X S+ 0 0 60 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.950 109.7 46.7 -59.4 -51.4 18.0 58.1 27.6 110 117 A E H < S+ 0 0 14 -4,-1.7 4,-0.4 1,-0.2 3,-0.2 0.938 114.5 45.8 -57.3 -51.5 21.4 56.6 26.6 111 118 A X H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.831 110.9 53.5 -64.7 -32.2 20.3 55.7 23.1 112 119 A L H >< S+ 0 0 10 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.836 99.9 62.0 -71.3 -31.3 18.6 59.1 22.6 113 120 A S T 3< S+ 0 0 0 -4,-1.9 270,-2.1 1,-0.3 271,-0.4 0.626 97.0 59.6 -68.7 -12.5 21.9 60.8 23.5 114 121 A W T < S- 0 0 2 -3,-0.8 -55,-0.4 -4,-0.4 -1,-0.3 0.432 112.7-123.7 -91.8 -2.7 23.5 59.1 20.5 115 122 A R < - 0 0 18 -3,-1.8 -56,-2.0 -57,-0.1 -54,-0.2 0.977 36.9-165.5 58.7 64.7 20.9 60.8 18.2 116 123 A P - 0 0 0 0, 0.0 -54,-0.2 0, 0.0 -56,-0.1 -0.137 26.4-125.8 -72.9 172.7 19.3 57.8 16.5 117 124 A S S S- 0 0 20 -56,-2.7 2,-0.3 1,-0.3 -55,-0.2 0.793 85.3 -0.3 -87.9 -34.5 17.0 58.0 13.4 118 125 A G E -b 62 0A 0 -57,-1.1 -55,-2.9 21,-0.1 2,-0.4 -0.980 57.8-140.2-153.3 164.3 14.1 56.1 15.0 119 126 A V E -bd 63 141A 0 21,-1.9 23,-2.9 -2,-0.3 2,-0.5 -0.991 8.3-174.8-134.4 126.7 12.8 54.4 18.1 120 127 A I E +bd 64 142A 0 -57,-3.9 -55,-2.4 -2,-0.4 2,-0.4 -0.981 22.0 177.2-116.6 114.9 10.8 51.2 18.3 121 128 A I E -bd 65 143A 0 21,-2.2 23,-2.7 -2,-0.5 2,-0.3 -0.953 26.9-115.5-127.8 145.1 9.8 50.6 22.0 122 129 A A E - d 0 144A 8 -57,-2.2 23,-0.2 -2,-0.4 3,-0.1 -0.567 69.4 -2.7 -80.8 133.2 7.7 47.9 23.7 123 130 A G - 0 0 1 21,-2.8 21,-0.1 -2,-0.3 -2,-0.1 0.019 66.6-104.4 83.1 171.5 4.4 48.7 25.5 124 131 A L S S+ 0 0 6 19,-0.1 2,-0.5 24,-0.1 26,-0.2 0.358 90.4 88.7-115.2 -1.7 2.4 51.9 26.3 125 132 A E + 0 0 56 -3,-0.1 2,-0.3 24,-0.1 65,-0.1 -0.890 50.6 150.7-102.9 127.7 3.3 52.2 29.9 126 133 A H - 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0 0 20 162,-0.4 4,-2.4 -2,-0.3 5,-0.1 -0.821 29.7-171.4 -92.0 114.0 37.6 41.8 51.0 828 167 C H H > S+ 0 0 4 -2,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.835 89.4 57.5 -71.5 -32.0 35.6 43.4 53.8 829 168 C R H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 109.3 46.1 -62.1 -43.8 38.4 45.9 54.3 830 169 C R H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.931 108.8 54.0 -64.9 -47.1 37.9 46.8 50.6 831 170 C A H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.938 109.9 50.2 -52.1 -45.8 34.2 47.0 51.0 832 171 C G H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.840 111.6 45.6 -62.2 -37.2 34.9 49.4 53.9 833 172 C R H X S+ 0 0 88 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.899 108.8 56.4 -73.7 -40.9 37.2 51.6 51.8 834 173 C E H X S+ 0 0 46 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 106.9 48.0 -57.4 -45.7 34.9 51.7 48.8 835 174 C X H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.889 108.8 54.5 -65.2 -39.0 31.9 53.1 50.8 836 175 C A H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.891 109.1 49.3 -61.8 -39.3 34.1 55.7 52.4 837 176 C Q H X S+ 0 0 91 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.964 110.2 49.1 -64.0 -51.7 35.2 56.8 48.9 838 177 C A H < S+ 0 0 11 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.862 113.0 48.1 -54.1 -42.8 31.6 57.0 47.6 839 178 C I H ><>S+ 0 0 0 -4,-2.3 5,-1.5 2,-0.2 3,-0.7 0.927 113.9 44.7 -66.4 -49.2 30.5 59.1 50.6 840 179 C L H ><5S+ 0 0 12 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.951 111.9 53.0 -60.3 -49.5 33.4 61.6 50.5 841 180 C K T 3<5S+ 0 0 182 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.645 104.5 59.4 -60.7 -15.4 33.0 61.9 46.7 842 181 C A T < 5S- 0 0 32 -3,-0.7 -1,-0.3 -4,-0.5 159,-0.2 0.513 122.0-101.3 -92.6 -8.5 29.3 62.7 47.4 843 182 C G T < 5S+ 0 0 44 -3,-2.1 2,-0.2 -4,-0.4 -3,-0.2 0.251 73.4 141.4 108.5 -12.3 30.0 65.7 49.5 844 183 C Y < + 0 0 0 -5,-1.5 -1,-0.3 64,-0.1 2,-0.3 -0.417 12.1 155.0 -73.3 137.6 29.4 64.2 53.0 845 184 C R + 0 0 111 1,-0.3 63,-0.4 -2,-0.2 33,-0.1 -0.825 54.1 61.9-143.3 167.9 31.6 65.1 55.9 846 185 C R S S- 0 0 112 -2,-0.3 62,-2.0 31,-0.2 63,-0.8 0.967 75.8-174.5 66.9 81.2 30.3 64.7 59.5 847 186 C I E -ij 878 909I 0 30,-0.5 32,-1.6 60,-0.2 33,-1.4 -0.915 18.5-157.7-121.7 140.7 29.8 61.0 59.5 848 187 C G E -ij 880 910I 0 61,-2.7 63,-2.9 -2,-0.4 2,-0.4 -0.843 6.7-155.5-114.6 149.9 28.3 58.6 62.0 849 188 C F E -ij 881 911I 2 31,-1.9 33,-1.6 -2,-0.3 2,-0.3 -0.943 10.0-178.9-126.4 148.2 28.7 54.8 62.4 850 189 C X E +ij 882 912I 0 61,-1.8 63,-2.3 -2,-0.4 2,-0.3 -0.970 15.2 154.6-146.4 125.8 26.6 52.1 63.9 851 190 C G - 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