==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTIONAL REGULATOR 15-DEC-05 2DBB . COMPND 2 MOLECULE: PUTATIVE HTH-TYPE TRANSCRIPTIONAL REGULATOR PH006 . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.NISHINO,T.HOSAKA,K.MURAYAMA,M.SHIROUZU,RIKEN STRUCTURAL . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 1 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 2 2 3 2 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 1 0 0 0 0 0 1 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 6 A K 0 0 228 0, 0.0 2,-0.1 0, 0.0 208,-0.1 0.000 360.0 360.0 360.0 142.5 21.4 11.3 24.7 2 7 A L - 0 0 23 206,-0.3 2,-0.0 1,-0.1 207,-0.0 -0.425 360.0-114.3 -71.6 147.0 21.9 15.1 24.3 3 8 A D > - 0 0 60 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.216 33.3 -88.6 -79.2 173.0 24.2 16.2 21.5 4 9 A R H > S+ 0 0 199 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.819 124.9 44.8 -46.0 -46.0 27.5 18.0 21.7 5 10 A V H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.4 49.6 -71.5 -46.3 26.1 21.5 21.8 6 11 A D H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.903 110.8 51.6 -58.4 -42.7 23.3 20.8 24.3 7 12 A M H X S+ 0 0 36 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.928 113.5 43.5 -60.9 -45.7 25.8 19.2 26.6 8 13 A Q H X S+ 0 0 91 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.809 111.6 55.7 -70.9 -29.0 28.2 22.2 26.4 9 14 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.926 105.3 50.1 -68.0 -46.5 25.2 24.5 26.8 10 15 A V H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.917 111.5 51.2 -57.2 -43.5 24.1 22.9 30.0 11 16 A K H X S+ 0 0 94 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.921 110.7 46.8 -59.2 -50.3 27.7 23.3 31.3 12 17 A I H >X S+ 0 0 25 -4,-2.2 4,-2.4 1,-0.2 3,-0.8 0.935 113.2 48.1 -59.3 -49.1 27.9 27.0 30.4 13 18 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.1 60.2 -64.7 -26.8 24.5 27.8 31.9 14 19 A S H 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.3 131,-0.2 0.801 110.8 41.9 -70.3 -26.8 25.5 25.9 35.1 15 20 A E H << S+ 0 0 131 -4,-1.0 185,-0.5 -3,-0.8 2,-0.2 0.858 139.5 2.4 -85.6 -39.7 28.4 28.4 35.4 16 21 A N >< - 0 0 62 -4,-2.4 3,-1.1 -5,-0.1 -1,-0.2 -0.740 59.7-178.6-151.6 96.6 26.4 31.5 34.5 17 22 A S T 3 S+ 0 0 0 183,-2.0 184,-0.1 1,-0.2 -4,-0.1 0.510 78.8 67.7 -76.1 -5.0 22.7 31.1 33.9 18 23 A R T 3 + 0 0 55 182,-0.2 -1,-0.2 -5,-0.1 2,-0.1 0.223 68.1 132.8 -98.2 13.5 22.3 34.9 33.1 19 24 A L < - 0 0 19 -3,-1.1 2,-0.1 1,-0.1 -3,-0.0 -0.429 60.0-118.7 -65.7 136.3 24.3 34.8 29.9 20 25 A T > - 0 0 62 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.400 20.7-115.1 -72.3 152.7 22.5 36.5 27.0 21 26 A Y H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.831 119.8 58.3 -56.6 -30.7 21.7 34.4 24.0 22 27 A R H > S+ 0 0 145 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 107.1 44.4 -63.0 -50.6 24.1 36.6 22.1 23 28 A E H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.865 114.9 50.1 -62.6 -36.4 26.9 35.7 24.5 24 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.911 108.8 50.3 -69.2 -43.8 25.9 32.0 24.3 25 30 A A H <>S+ 0 0 2 -4,-2.9 5,-2.4 1,-0.2 4,-0.3 0.913 110.7 51.6 -60.7 -42.2 25.8 32.0 20.5 26 31 A D H ><5S+ 0 0 105 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.944 112.7 43.7 -59.2 -51.1 29.3 33.5 20.5 27 32 A I H 3<5S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.950 120.9 40.2 -59.6 -51.2 30.7 30.9 22.8 28 33 A L T 3<5S- 0 0 17 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.322 109.7-125.2 -81.9 7.4 29.0 28.1 20.9 29 34 A N T < 5S+ 0 0 144 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.936 72.9 99.0 47.3 61.4 29.7 29.7 17.6 30 35 A T S > - 0 0 65 -2,-0.2 4,-2.2 1,-0.1 3,-0.8 -0.780 30.3-125.4-105.0 147.7 23.1 32.0 16.1 32 37 A R H 3> S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.828 114.2 59.6 -55.1 -31.7 21.0 33.5 18.8 33 38 A Q H 3> S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.893 107.0 44.8 -64.2 -40.0 18.0 32.0 17.0 34 39 A R H <> S+ 0 0 155 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.869 112.5 51.5 -72.0 -37.0 19.6 28.5 17.4 35 40 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.947 108.6 51.2 -63.5 -48.8 20.4 29.1 21.0 36 41 A A H X S+ 0 0 34 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.898 112.5 47.5 -55.2 -42.6 16.9 30.2 21.8 37 42 A R H X S+ 0 0 162 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.895 111.8 48.2 -68.1 -42.6 15.6 27.0 20.1 38 43 A R H X S+ 0 0 60 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.962 113.3 46.4 -64.3 -50.2 18.0 24.7 22.0 39 44 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.885 110.4 54.9 -59.5 -37.7 17.3 26.2 25.4 40 45 A D H X S+ 0 0 44 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.902 111.1 45.0 -61.8 -40.0 13.6 26.1 24.6 41 46 A K H X S+ 0 0 79 -4,-1.9 4,-3.1 2,-0.2 6,-0.3 0.928 110.8 52.8 -68.8 -46.4 13.9 22.3 23.9 42 47 A L H X>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 6,-1.6 0.884 112.8 45.2 -57.2 -40.5 16.0 21.7 27.0 43 48 A K H <5S+ 0 0 93 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.917 114.0 48.2 -70.6 -43.4 13.4 23.3 29.2 44 49 A K H <5S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 110.1 50.7 -65.6 -40.3 10.5 21.6 27.5 45 50 A L H <5S- 0 0 106 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.679 115.9-118.0 -70.8 -15.1 12.1 18.1 27.7 46 51 A G T <5S+ 0 0 21 -4,-0.6 -3,-0.2 -3,-0.4 3,-0.2 0.617 80.3 124.9 88.4 12.8 12.7 18.9 31.4 47 52 A I S - 0 0 39 140,-2.7 4,-0.9 1,-0.2 3,-0.5 -0.776 33.6-163.3 -89.5 99.7 25.4 32.1 50.8 57 62 A I T >4>S+ 0 0 8 -2,-1.2 5,-2.2 1,-0.2 3,-0.9 0.852 86.1 55.0 -49.0 -45.5 23.0 30.4 53.3 58 63 A D G >45S+ 0 0 78 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.904 104.5 53.4 -59.1 -42.9 25.0 31.7 56.3 59 64 A K G 345S+ 0 0 82 -3,-0.5 90,-0.3 1,-0.3 -1,-0.3 0.679 105.9 54.2 -67.8 -17.3 24.7 35.3 55.2 60 65 A L G <<5S- 0 0 7 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.494 122.2-104.6 -93.5 -4.7 20.9 35.0 54.9 61 66 A G T < 5S+ 0 0 0 -3,-1.3 49,-1.8 -4,-0.5 50,-0.3 0.664 82.4 112.4 92.5 17.9 20.7 33.8 58.5 62 67 A Y E < -C 109 0B 53 -5,-2.2 -1,-0.3 47,-0.2 2,-0.3 -0.706 45.2-159.4-117.5 170.1 20.0 30.1 57.8 63 68 A M E -C 108 0B 39 45,-3.0 45,-3.0 -2,-0.2 2,-0.2 -0.977 19.4-122.2-145.0 151.1 21.9 26.8 58.3 64 69 A Y E -C 107 0B 5 73,-0.4 73,-2.4 -2,-0.3 2,-0.3 -0.539 17.9-167.4 -92.5 165.4 21.4 23.4 56.7 65 70 A A E -CD 106 136B 0 41,-1.4 41,-3.4 71,-0.2 2,-0.5 -0.967 9.5-150.6-149.1 135.6 20.7 20.1 58.3 66 71 A I E -CD 105 135B 6 69,-2.9 69,-2.7 -2,-0.3 2,-0.5 -0.953 9.9-157.9-110.9 128.5 21.0 16.7 56.6 67 72 A V E -CD 104 134B 0 37,-3.6 37,-2.5 -2,-0.5 2,-0.5 -0.931 1.4-158.7-110.9 129.8 18.7 14.0 57.8 68 73 A L E -CD 103 133B 0 65,-3.0 65,-2.7 -2,-0.5 2,-0.4 -0.925 13.3-172.5-107.1 125.8 19.7 10.4 57.1 69 74 A I E -CD 102 132B 1 33,-3.0 33,-2.0 -2,-0.5 32,-1.5 -0.965 16.4-169.6-126.1 133.8 16.8 7.8 57.2 70 75 A K E - D 0 131B 61 61,-2.9 60,-2.3 -2,-0.4 61,-1.7 -0.959 21.2-145.6-119.9 110.9 16.9 4.1 57.1 71 76 A S E - D 0 129B 4 -2,-0.5 58,-0.1 58,-0.2 57,-0.1 -0.326 14.7-130.6 -71.0 157.2 13.4 2.6 56.6 72 77 A K S S+ 0 0 95 56,-0.6 -1,-0.1 1,-0.3 57,-0.1 0.860 95.9 15.3 -76.2 -37.1 12.5 -0.7 58.2 73 78 A V S >> S- 0 0 68 1,-0.1 3,-1.7 -3,-0.0 4,-0.5 -0.983 83.3-115.2-136.1 147.4 11.1 -2.0 54.9 74 79 A P H >> S+ 0 0 113 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.865 110.8 59.1 -46.5 -50.3 11.6 -0.6 51.3 75 80 A S H 3> S+ 0 0 75 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.715 93.8 68.3 -57.9 -21.4 8.0 0.3 50.7 76 81 A D H <> S+ 0 0 32 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.829 87.1 67.7 -67.1 -31.7 8.1 2.7 53.7 77 82 A A H < S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.1 -2,-0.2 0.667 93.7 85.6-105.7 -20.7 7.7 15.2 53.6 85 90 A S T 3< S+ 0 0 21 -4,-2.2 -3,-0.1 -5,-0.3 -1,-0.1 0.706 91.4 52.0 -55.7 -22.8 8.2 16.3 50.0 86 91 A D T 3 S+ 0 0 149 -4,-0.3 -1,-0.3 -5,-0.1 2,-0.2 0.594 77.6 114.9 -91.4 -13.1 5.7 19.2 50.4 87 92 A I X - 0 0 9 -3,-1.6 3,-1.7 1,-0.1 -3,-0.0 -0.410 67.1-135.1 -62.2 127.5 7.2 20.7 53.6 88 93 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.845 100.2 47.1 -52.3 -45.4 8.5 24.2 52.7 89 94 A Y T 3 S+ 0 0 7 17,-0.1 18,-2.4 29,-0.1 2,-0.8 0.367 85.2 101.9 -84.1 5.6 11.8 24.0 54.5 90 95 A V E < +E 106 0B 0 -3,-1.7 16,-0.2 16,-0.2 3,-0.1 -0.836 49.0 179.6 -88.8 116.0 12.6 20.6 53.0 91 96 A K E + 0 0 3 14,-2.7 202,-2.8 -2,-0.8 2,-0.3 0.750 60.1 7.6 -91.4 -29.4 15.1 21.5 50.2 92 97 A S E -EF 105 292B 3 13,-1.1 13,-2.0 200,-0.3 2,-0.4 -0.986 54.0-169.9-155.5 146.4 15.9 18.1 48.8 93 98 A V E +EF 104 291B 0 198,-2.1 197,-2.3 -2,-0.3 198,-1.8 -0.996 14.0 178.7-138.3 129.5 14.7 14.5 49.1 94 99 A E E -EF 103 289B 0 9,-2.1 9,-2.2 -2,-0.4 2,-0.4 -0.991 24.8-138.4-137.9 142.7 16.5 11.6 47.6 95 100 A K E -EF 102 288B 28 193,-2.8 193,-1.7 -2,-0.4 192,-1.1 -0.819 36.6-177.3 -94.4 136.9 16.0 7.8 47.6 96 101 A G E - F 0 286B 6 5,-2.9 2,-0.5 -2,-0.4 190,-0.2 -0.865 29.2-129.4-136.0 170.6 19.3 6.0 48.1 97 102 A V E S+ F 0 285B 88 188,-2.5 188,-2.0 -2,-0.3 2,-0.3 -0.978 70.6 44.6-121.4 120.7 20.9 2.6 48.2 98 103 A G S S- 0 0 47 -2,-0.5 186,-0.1 186,-0.2 -2,-0.1 -0.994 112.6 -17.4 151.0-147.9 23.3 1.8 51.1 99 104 A R S S+ 0 0 83 -2,-0.3 2,-0.4 184,-0.2 -1,-0.1 0.776 134.6 31.9 -63.0 -28.7 23.3 2.3 54.9 100 105 A Y - 0 0 0 -30,-0.1 -30,-0.3 1,-0.1 -1,-0.1 -0.984 62.1-165.7-129.3 141.6 20.5 4.9 54.5 101 106 A N S S+ 0 0 20 -32,-1.5 -5,-2.9 -2,-0.4 2,-0.4 0.490 76.2 49.4-106.3 -4.0 17.8 4.8 51.9 102 107 A I E -CE 69 95B 0 -33,-2.0 -33,-3.0 -7,-0.3 2,-0.5 -0.979 59.1-175.9-137.8 127.3 16.5 8.4 52.4 103 108 A I E -CE 68 94B 5 -9,-2.2 -9,-2.1 -2,-0.4 2,-0.4 -0.982 8.3-176.1-123.5 128.1 18.5 11.6 52.5 104 109 A V E -CE 67 93B 0 -37,-2.5 -37,-3.6 -2,-0.5 2,-0.5 -0.970 14.2-154.3-126.8 138.3 16.9 14.9 53.3 105 110 A R E -CE 66 92B 9 -13,-2.0 -14,-2.7 -2,-0.4 -13,-1.1 -0.951 15.4-164.9-112.1 128.8 18.3 18.4 53.4 106 111 A L E -CE 65 90B 0 -41,-3.4 -41,-1.4 -2,-0.5 2,-0.6 -0.861 14.6-143.2-113.2 148.0 16.6 21.0 55.5 107 112 A L E +C 64 0B 9 -18,-2.4 -43,-0.2 -2,-0.3 188,-0.0 -0.958 33.1 174.1-108.5 122.9 16.9 24.8 55.5 108 113 A L E -C 63 0B 0 -45,-3.0 -45,-3.0 -2,-0.6 7,-0.1 -0.897 36.0-102.6-131.9 158.5 16.7 26.1 59.0 109 114 A P E -C 62 0B 21 0, 0.0 -47,-0.2 0, 0.0 6,-0.1 -0.429 35.7-120.6 -72.8 155.6 17.1 29.4 60.9 110 115 A K S S+ 0 0 65 -49,-1.8 2,-0.5 -52,-0.1 -48,-0.1 0.761 87.0 101.1 -71.5 -23.2 20.4 29.7 62.8 111 116 A D S > S- 0 0 76 -50,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.499 70.3-146.8 -64.4 114.6 18.6 30.1 66.2 112 117 A I H > S+ 0 0 104 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.807 94.9 53.5 -55.0 -34.6 18.9 26.6 67.7 113 118 A K H > S+ 0 0 155 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.944 113.3 41.9 -67.4 -45.9 15.6 26.9 69.4 114 119 A D H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.844 114.6 52.4 -68.6 -33.8 13.7 27.8 66.3 115 120 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.893 107.1 52.5 -67.6 -40.5 15.7 25.2 64.3 116 121 A E H X S+ 0 0 97 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.872 105.4 55.3 -62.4 -39.1 14.8 22.5 66.9 117 122 A N H X S+ 0 0 96 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.942 111.6 43.3 -60.1 -47.0 11.1 23.4 66.5 118 123 A L H X S+ 0 0 36 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.884 113.7 50.8 -67.6 -39.2 11.3 22.9 62.7 119 124 A I H X S+ 0 0 19 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.939 111.2 48.4 -64.0 -45.0 13.3 19.7 63.1 120 125 A S H X S+ 0 0 54 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.864 110.0 51.7 -62.7 -37.3 10.8 18.2 65.6 121 126 A E H X S+ 0 0 71 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.888 114.0 45.2 -66.1 -37.5 7.9 19.1 63.3 122 127 A F H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.927 110.3 51.1 -71.1 -47.7 9.7 17.3 60.5 123 128 A L H >< S+ 0 0 58 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.807 98.7 68.2 -61.3 -29.7 10.7 14.2 62.5 124 129 A Q H 3< S+ 0 0 143 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.828 95.7 55.9 -59.0 -32.0 7.1 13.9 63.7 125 130 A R T << S+ 0 0 82 -3,-1.3 2,-0.9 -4,-0.5 -1,-0.3 0.457 87.2 87.0 -82.6 0.5 6.2 13.0 60.1 126 131 A I < - 0 0 17 -3,-1.9 3,-0.4 -4,-0.2 2,-0.3 -0.826 68.3-164.3-103.4 96.7 8.7 10.1 59.9 127 132 A K - 0 0 143 -2,-0.9 -47,-0.1 1,-0.2 -2,-0.1 -0.643 56.5 -13.5 -90.3 136.6 6.8 7.1 61.2 128 133 A N S S+ 0 0 105 -2,-0.3 -56,-0.6 1,-0.1 2,-0.2 0.878 78.6 171.4 46.6 58.5 8.4 3.9 62.3 129 134 A A E -D 71 0B 28 -3,-0.4 -58,-0.2 -58,-0.1 3,-0.2 -0.627 35.4-141.7 -93.1 155.7 11.9 4.3 60.9 130 135 A E E S+ 0 0 112 -60,-2.3 2,-0.4 1,-0.3 -59,-0.2 0.905 87.1 7.0 -79.9 -46.3 14.8 1.9 61.7 131 136 A N E -D 70 0B 41 -61,-1.7 -61,-2.9 2,-0.0 2,-0.4 -1.000 60.3-179.7-140.4 138.3 17.4 4.7 61.9 132 137 A V E -D 69 0B 57 -2,-0.4 2,-0.4 -63,-0.2 -63,-0.2 -0.978 7.5-176.7-137.8 121.5 17.2 8.5 61.8 133 138 A E E -D 68 0B 49 -65,-2.7 -65,-3.0 -2,-0.4 2,-0.5 -0.982 9.6-158.9-122.4 128.6 20.3 10.7 62.0 134 139 A V E -D 67 0B 41 -2,-0.4 2,-0.5 -67,-0.2 -67,-0.2 -0.931 8.7-172.8-109.1 124.5 20.2 14.4 62.1 135 140 A I E -D 66 0B 0 -69,-2.7 -69,-2.9 -2,-0.5 2,-0.4 -0.962 12.6-149.7-120.2 116.3 23.4 16.3 61.1 136 141 A L E -DG 65 246B 40 110,-1.6 110,-2.6 -2,-0.5 2,-0.8 -0.698 19.2-130.5 -83.3 132.3 23.6 20.0 61.6 137 142 A I E - 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0 0 49 -91,-0.1 5,-0.2 -3,-0.1 -1,-0.0 -0.989 44.7 -80.5-150.2 138.1 19.4 41.5 55.6 152 8 B D > - 0 0 70 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 0.095 38.7-122.4 -36.0 141.7 17.1 44.1 54.0 153 9 B R H > S+ 0 0 196 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.850 111.4 47.9 -60.2 -39.1 13.5 42.9 53.3 154 10 B V H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 107.4 56.4 -72.2 -34.3 13.6 43.7 49.6 155 11 B D H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 107.0 49.7 -63.6 -40.1 17.0 42.0 49.2 156 12 B M H X S+ 0 0 36 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.912 109.9 49.6 -65.8 -41.5 15.5 38.8 50.6 157 13 B Q H X S+ 0 0 76 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.933 110.1 52.3 -61.2 -43.8 12.5 38.9 48.3 158 14 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.891 110.1 48.0 -58.1 -42.8 15.0 39.5 45.4 159 15 B V H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.931 111.1 50.7 -64.8 -45.3 16.9 36.4 46.5 160 16 B K H < S+ 0 0 78 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.914 114.1 44.8 -58.2 -45.0 13.7 34.4 46.8 161 17 B I H >X S+ 0 0 38 -4,-2.9 4,-1.9 1,-0.2 3,-1.6 0.938 110.6 51.6 -66.6 -49.1 12.7 35.4 43.3 162 18 B L H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.739 101.7 63.0 -61.0 -24.6 16.1 34.9 41.6 163 19 B S T 3< S+ 0 0 7 -4,-1.5 -1,-0.3 -111,-0.2 -2,-0.2 0.725 109.7 39.5 -74.1 -20.0 16.1 31.4 43.1 164 20 B E T <4 S+ 0 0 101 -3,-1.6 -113,-0.6 -4,-0.5 -2,-0.2 0.746 138.4 10.0 -96.4 -31.7 13.0 30.5 41.0 165 21 B N B >< +b 51 0A 65 -4,-1.9 3,-1.4 -115,-0.1 -113,-0.2 -0.637 61.2 178.2-151.5 87.8 14.0 32.4 37.8 166 22 B S T 3 S+ 0 0 0 -115,-1.9 -114,-0.1 1,-0.3 -4,-0.1 0.471 77.6 66.5 -70.7 -2.2 17.6 33.7 37.7 167 23 B R T 3 + 0 0 60 -116,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.361 65.6 127.6-101.6 5.8 17.1 35.1 34.2 168 24 B L < - 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0 0 54 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.619 28.7-125.5 -97.1 158.5 13.0 51.1 39.6 181 37 B R H > S+ 0 0 108 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.875 112.6 56.1 -64.5 -38.6 15.3 49.1 37.3 182 38 B Q H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 107.5 47.4 -60.3 -46.3 18.3 51.2 38.5 183 39 B R H > S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 111.3 51.4 -64.6 -35.7 17.6 50.4 42.2 184 40 B I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.910 108.6 52.7 -66.4 -40.4 17.2 46.7 41.3 185 41 B A H X S+ 0 0 28 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.947 111.2 45.3 -59.2 -50.3 20.6 46.9 39.5 186 42 B R H X S+ 0 0 158 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.900 112.9 51.0 -61.1 -42.9 22.3 48.4 42.6 187 43 B R H X S+ 0 0 70 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.947 112.4 44.7 -61.3 -50.0 20.7 45.9 44.9 188 44 B I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.887 112.4 53.7 -61.9 -38.0 21.7 42.9 42.9 189 45 B D H X S+ 0 0 95 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.906 109.6 46.8 -64.2 -41.2 25.2 44.3 42.5 190 46 B K H X S+ 0 0 108 -4,-2.3 4,-2.7 2,-0.2 6,-0.3 0.915 109.6 54.4 -66.7 -42.3 25.6 44.8 46.2 191 47 B L H <>S+ 0 0 2 -4,-2.4 5,-1.8 1,-0.2 6,-1.3 0.894 111.9 44.5 -58.6 -40.2 24.3 41.2 46.9 192 48 B K H ><5S+ 0 0 91 -4,-2.1 3,-1.2 4,-0.2 -1,-0.2 0.901 112.0 51.8 -71.5 -40.5 27.0 39.9 44.5 193 49 B K H 3<5S+ 0 0 158 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.890 110.5 49.1 -62.4 -39.6 29.7 42.1 46.0 194 50 B L T 3<5S- 0 0 83 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.409 113.3-118.2 -80.8 1.4 28.8 40.9 49.5 195 51 B G T < 5S+ 0 0 22 -3,-1.2 -3,-0.2 2,-0.2 3,-0.2 0.607 80.1 125.1 72.5 8.9 28.9 37.2 48.4 196 52 B I S - 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