==== 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 TRANSCRIPTIONAL REGULATOR 31-MAR-10 3MEJ . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR YWTF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.KUZIN,M.SU,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI,D.LEE, . 251 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 2 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 1 0 1 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 . 2 1 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 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 51 A H 0 0 157 0, 0.0 195,-0.2 0, 0.0 193,-0.1 0.000 360.0 360.0 360.0 75.7 1.6 40.7 72.4 2 52 A V - 0 0 44 193,-1.0 2,-0.3 195,-0.1 98,-0.1 -0.112 360.0-159.4 -51.4 149.3 2.5 43.9 70.4 3 53 A S - 0 0 91 193,-0.0 193,-0.1 194,-0.0 5,-0.1 -0.872 17.5-132.2-133.9 107.0 0.8 44.4 67.1 4 54 A L > - 0 0 9 -2,-0.3 3,-1.1 1,-0.2 78,-0.0 -0.250 18.9-129.7 -48.1 141.8 2.5 46.7 64.7 5 55 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.446 96.2 87.3 -75.4 2.0 -0.2 49.1 63.4 6 56 A R T 3 S- 0 0 56 1,-0.3 3,-0.2 2,-0.0 -1,-0.2 0.566 96.5-118.2 -83.6 -8.8 1.0 48.2 59.9 7 57 A G < - 0 0 35 -3,-1.1 -1,-0.3 1,-0.2 -3,-0.1 -0.681 49.3 -28.4 114.3-161.2 -1.3 45.2 59.7 8 58 A E S S+ 0 0 182 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.827 121.7 8.4 -69.9 -37.6 -1.2 41.5 59.4 9 59 A Q S S- 0 0 39 -3,-0.2 -1,-0.1 4,-0.1 89,-0.1 -0.958 97.0 -73.1-139.7 160.9 2.0 41.3 57.4 10 60 A S > - 0 0 1 -2,-0.3 3,-1.6 1,-0.2 7,-0.1 -0.273 34.7-136.6 -52.7 133.4 4.8 43.7 56.4 11 61 A V T 3 S+ 0 0 115 1,-0.3 -1,-0.2 -4,-0.0 -4,-0.0 0.583 101.0 72.8 -66.8 -9.7 3.7 46.1 53.6 12 62 A K T 3 S+ 0 0 73 83,-0.1 2,-0.3 85,-0.1 -1,-0.3 0.762 78.2 94.6 -77.1 -20.6 7.0 45.4 52.0 13 63 A R < - 0 0 30 -3,-1.6 4,-0.1 1,-0.1 -4,-0.1 -0.538 54.7-168.6 -80.2 130.9 5.8 41.9 51.0 14 64 A I S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.899 74.0 37.0 -82.1 -46.5 4.3 41.5 47.5 15 65 A K S S- 0 0 167 1,-0.1 2,-0.4 0, 0.0 -2,-0.0 -0.319 107.0 -72.6 -94.7-177.9 2.8 38.1 48.0 16 66 A E - 0 0 177 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.679 46.5-128.2 -81.2 127.1 1.2 36.5 51.0 17 67 A F - 0 0 26 -2,-0.4 7,-0.0 -7,-0.1 -1,-0.0 -0.591 14.8-132.2 -74.1 127.5 3.6 35.6 53.8 18 68 A D - 0 0 48 -2,-0.4 4,-0.2 5,-0.1 -1,-0.0 -0.750 17.9-135.9 -82.1 127.9 3.3 32.0 55.1 19 69 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.522 86.9 16.1 -24.8 -54.6 3.2 32.4 58.9 20 70 A G S S+ 0 0 20 4,-0.1 2,-1.5 -3,-0.0 -2,-0.1 0.763 106.1 36.5 158.6-170.5 5.0 30.1 58.5 21 71 A K S S+ 0 0 132 2,-0.0 2,-0.3 -2,-0.0 3,-0.0 -0.606 88.6 76.7 -85.1 76.9 7.4 27.8 56.8 22 72 A D S S- 0 0 51 -2,-1.5 229,-0.1 -4,-0.2 -5,-0.0 -0.905 93.6 -54.9-162.1 174.6 9.3 30.2 54.4 23 73 A S + 0 0 16 -2,-0.3 2,-0.3 227,-0.1 23,-0.2 -0.189 60.8 169.3 -63.8 144.4 12.1 32.8 54.8 24 74 A F E -A 45 0A 1 21,-1.5 21,-3.2 -7,-0.0 2,-0.3 -0.898 25.1-131.3-147.8 169.4 11.7 35.6 57.4 25 75 A S E -A 44 0A 0 -2,-0.3 74,-1.6 19,-0.2 2,-0.4 -0.930 10.9-161.5-129.0 155.4 13.3 38.5 59.4 26 76 A V E -Ab 43 99A 18 17,-2.3 17,-2.8 -2,-0.3 2,-0.6 -1.000 7.6-152.1-137.2 131.8 13.4 39.5 63.0 27 77 A L E -Ab 42 100A 0 72,-2.7 74,-2.7 -2,-0.4 2,-0.5 -0.923 11.5-160.7-103.4 115.7 14.3 42.9 64.5 28 78 A L E -Ab 41 101A 34 13,-3.4 13,-1.9 -2,-0.6 2,-0.4 -0.824 9.7-173.1 -92.5 133.0 15.7 42.7 68.1 29 79 A L E -Ab 40 102A 3 72,-2.7 74,-1.9 -2,-0.5 2,-0.5 -0.993 7.8-170.4-126.4 127.3 15.6 46.0 70.0 30 80 A G E -Ab 39 103A 3 9,-1.5 9,-2.0 -2,-0.4 8,-1.9 -0.972 8.8-156.3-113.2 130.1 17.1 46.5 73.4 31 81 A I E Ab 37 104A 18 72,-2.3 74,-1.0 -2,-0.5 6,-0.2 -0.932 360.0 360.0-106.5 126.8 16.3 49.7 75.3 32 82 A D 0 0 110 4,-0.6 -1,-0.2 -2,-0.5 72,-0.1 0.241 360.0 360.0 91.6 360.0 18.9 50.8 77.9 33 ! 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 34 93 A Q 0 0 206 0, 0.0 47,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 69.4 11.3 58.1 74.5 35 94 A A - 0 0 47 46,-0.1 2,-0.3 1,-0.1 46,-0.2 0.752 360.0-148.1-110.2 179.2 13.1 55.9 74.6 36 95 A R - 0 0 140 42,-0.1 -4,-0.6 41,-0.1 2,-0.5 -0.730 23.3-122.5 -96.7 146.2 16.1 55.3 72.3 37 96 A S E -A 31 0A 1 37,-0.7 -6,-0.2 -2,-0.3 40,-0.1 -0.731 23.8-179.8 -89.1 126.0 17.3 51.8 71.4 38 97 A D E S+ 0 0 25 -8,-1.9 2,-0.5 -2,-0.5 -7,-0.2 0.809 75.4 55.5 -89.6 -37.9 20.8 50.8 72.2 39 98 A A E +A 30 0A 15 -9,-2.0 -9,-1.5 132,-0.0 2,-0.2 -0.862 62.3 169.7 -95.0 131.3 20.6 47.3 70.7 40 99 A N E +A 29 0A 1 -2,-0.5 17,-2.7 -11,-0.2 2,-0.5 -0.686 10.7 158.4-142.9 84.6 19.6 47.3 67.1 41 100 A V E -AC 28 56A 7 -13,-1.9 -13,-3.4 15,-0.2 2,-0.4 -0.945 21.1-164.9-121.0 122.3 20.0 43.9 65.5 42 101 A L E -AC 27 55A 0 13,-2.8 13,-2.2 -2,-0.5 2,-0.5 -0.838 7.8-167.8-100.0 135.2 18.3 42.5 62.4 43 102 A V E -AC 26 54A 10 -17,-2.8 -17,-2.3 -2,-0.4 2,-0.5 -0.981 5.6-163.0-124.6 123.4 18.3 38.8 61.6 44 103 A T E -AC 25 53A 1 9,-2.3 9,-2.5 -2,-0.5 2,-0.6 -0.913 9.1-156.5-102.0 135.0 17.3 37.3 58.3 45 104 A F E -AC 24 52A 16 -21,-3.2 -21,-1.5 -2,-0.5 2,-0.8 -0.895 4.9-152.4-116.2 104.7 16.6 33.5 58.4 46 105 A N E >> - C 0 51A 26 5,-1.7 4,-1.7 -2,-0.6 5,-1.1 -0.633 8.7-164.3 -72.4 107.9 16.9 31.6 55.1 47 106 A R T 45S+ 0 0 34 -2,-0.8 3,-0.4 203,-0.2 -1,-0.2 0.964 83.9 43.9 -57.6 -59.2 14.4 28.6 55.5 48 107 A K T 45S+ 0 0 189 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.918 121.5 40.0 -58.9 -42.4 15.7 26.4 52.6 49 108 A E T 45S- 0 0 104 201,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.711 97.6-134.6 -78.7 -20.9 19.4 26.9 53.5 50 109 A K T <5 + 0 0 53 -4,-1.7 163,-2.6 -3,-0.4 164,-0.9 0.843 61.7 132.9 64.4 34.0 18.9 26.8 57.3 51 110 A T E < -Cd 46 214A 23 -5,-1.1 -5,-1.7 161,-0.2 2,-0.4 -0.775 42.8-153.7-116.2 162.1 21.2 29.9 57.5 52 111 A A E -Cd 45 215A 4 162,-1.8 164,-1.7 -2,-0.3 2,-0.4 -0.983 1.8-155.9-135.9 144.4 21.0 33.1 59.4 53 112 A K E -Cd 44 216A 34 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.4 -0.985 9.0-159.6-124.9 125.4 22.4 36.6 58.8 54 113 A X E +Cd 43 217A 18 162,-3.5 164,-3.4 -2,-0.4 2,-0.4 -0.841 11.1 177.2-103.7 138.0 23.0 39.1 61.5 55 114 A L E -Cd 42 218A 2 -13,-2.2 -13,-2.8 -2,-0.4 2,-0.6 -0.981 17.1-151.5-140.6 125.6 23.3 42.9 61.0 56 115 A S E -C 41 0A 16 162,-0.7 164,-0.4 -2,-0.4 -15,-0.2 -0.845 14.3-143.4 -96.7 127.4 23.7 45.6 63.6 57 116 A I - 0 0 1 -17,-2.7 -2,-0.0 -2,-0.6 162,-0.0 -0.797 29.3-112.9 -90.6 117.6 22.3 48.9 62.6 58 117 A P > - 0 0 17 0, 0.0 3,-2.1 0, 0.0 15,-0.3 -0.179 15.9-129.2 -53.3 130.4 24.6 51.6 63.9 59 118 A R T 3 S+ 0 0 27 1,-0.3 15,-2.2 -21,-0.2 16,-0.2 0.863 108.8 38.7 -41.1 -43.7 23.0 53.8 66.7 60 119 A D T 3 S+ 0 0 9 13,-0.2 173,-2.9 12,-0.2 -1,-0.3 0.242 79.2 145.0-103.0 13.1 24.0 56.9 64.8 61 120 A A B < -f 233 0B 0 -3,-2.1 12,-2.2 171,-0.2 2,-0.9 -0.281 53.9-123.0 -58.9 135.4 23.4 55.8 61.2 62 121 A Y E +H 72 0C 51 171,-2.4 173,-0.4 10,-0.2 2,-0.3 -0.720 54.4 144.0 -88.9 105.1 22.2 58.8 59.2 63 122 A V E -H 71 0C 10 8,-2.4 8,-2.3 -2,-0.9 2,-0.5 -0.900 54.5 -89.4-141.2 162.3 18.9 57.7 57.7 64 123 A N E -H 70 0C 41 -2,-0.3 6,-0.3 6,-0.2 28,-0.1 -0.655 29.9-159.3 -79.2 122.4 15.4 59.0 56.9 65 124 A I E >> -H 69 0C 0 4,-2.1 3,-2.5 -2,-0.5 4,-0.7 -0.892 32.2-116.0 -99.7 106.1 13.0 58.7 59.7 66 125 A P T 34 S+ 0 0 27 0, 0.0 22,-0.1 0, 0.0 21,-0.1 -0.144 99.9 12.3 -50.6 118.3 9.6 58.8 58.0 67 126 A G T 34 S+ 0 0 76 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.486 129.1 59.8 92.7 6.3 7.7 61.9 59.1 68 127 A H T <4 S- 0 0 95 -3,-2.5 -4,-0.0 1,-0.1 11,-0.0 0.415 93.3-129.1-145.1 -3.0 10.9 63.3 60.7 69 128 A G E < -H 65 0C 34 -4,-0.7 -4,-2.1 2,-0.1 2,-0.1 -0.060 58.0 -21.3 76.8 178.2 13.6 63.7 58.0 70 129 A Y E S+H 64 0C 147 -6,-0.3 2,-0.3 -8,-0.1 -6,-0.2 -0.409 81.4 134.9 -62.0 135.0 17.2 62.5 58.1 71 130 A D E -H 63 0C 19 -8,-2.3 -8,-2.4 -10,-0.1 2,-0.3 -0.920 60.0 -54.4-164.9 177.5 18.4 61.8 61.7 72 131 A K E > -H 62 0C 40 -2,-0.3 3,-2.2 -10,-0.2 4,-0.5 -0.559 48.4-126.7 -68.2 132.9 20.3 59.3 63.8 73 132 A F T > S+ 0 0 1 -12,-2.2 3,-1.2 -2,-0.3 4,-0.5 0.806 106.1 65.0 -46.7 -36.1 18.7 55.9 63.5 74 133 A T T 3> S+ 0 0 2 -15,-2.2 -37,-0.7 1,-0.2 4,-0.6 0.757 89.4 65.6 -65.4 -23.7 18.4 55.7 67.2 75 134 A H H <> S+ 0 0 52 -3,-2.2 4,-3.0 -16,-0.2 3,-0.4 0.734 81.9 78.6 -75.1 -21.2 15.9 58.5 67.4 76 135 A A H <> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.5 5,-0.4 0.928 95.1 45.5 -50.5 -53.0 13.3 56.6 65.5 77 136 A H H > S+ 0 0 9 -4,-0.5 4,-1.2 -3,-0.4 -1,-0.3 0.770 113.6 53.8 -66.1 -23.4 12.3 54.5 68.6 78 137 A A H < S+ 0 0 22 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.938 113.1 39.3 -71.7 -48.8 12.3 57.8 70.4 79 138 A Y H < S+ 0 0 100 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.671 141.3 0.9 -75.1 -19.2 9.9 59.7 68.1 80 139 A G H >X S- 0 0 38 -4,-1.8 4,-0.8 -5,-0.3 3,-0.5 0.373 87.5-131.4-156.9 5.8 7.6 56.8 67.5 81 140 A G H >X - 0 0 20 -4,-1.2 4,-1.9 -5,-0.4 3,-0.6 -0.178 68.9 -20.9 67.9-161.2 8.4 53.5 69.3 82 141 A V H 3> S+ 0 0 15 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.826 135.2 53.4 -55.0 -40.4 8.5 50.1 67.7 83 142 A D H <> S+ 0 0 62 -3,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.877 108.1 48.5 -68.0 -38.8 6.4 51.0 64.7 84 143 A L H S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.5 0.946 114.3 47.7 -62.1 -48.9 14.5 49.8 58.9 90 149 A E H X5S+ 0 0 13 -4,-2.7 4,-1.2 1,-0.2 5,-0.3 0.880 115.0 46.6 -60.5 -39.6 12.1 48.7 56.0 91 150 A E H <5S+ 0 0 86 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.927 119.1 41.1 -66.1 -44.1 12.6 52.0 54.3 92 151 A X H <5S+ 0 0 11 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.929 127.3 29.0 -75.8 -47.9 16.4 51.9 54.7 93 152 A L H <5S- 0 0 0 -4,-3.6 -3,-0.2 -5,-0.2 -1,-0.2 0.624 95.1-137.6 -87.1 -13.5 17.1 48.3 54.0 94 153 A D << + 0 0 59 -4,-1.2 -3,-0.2 -5,-0.5 -4,-0.2 0.918 64.3 113.7 53.4 43.1 14.1 47.9 51.6 95 154 A I S S- 0 0 0 -6,-0.3 -1,-0.2 -5,-0.3 2,-0.2 -0.936 73.4 -98.0-130.4 161.7 13.2 44.5 53.1 96 155 A P - 0 0 3 0, 0.0 2,-0.7 0, 0.0 157,-0.0 -0.585 23.9-148.5 -72.6 142.1 10.2 43.3 55.1 97 156 A V - 0 0 1 -2,-0.2 -71,-0.1 1,-0.1 3,-0.1 -0.923 18.7-179.4-109.5 100.5 10.6 43.1 58.8 98 157 A D + 0 0 7 -2,-0.7 2,-0.3 1,-0.1 -72,-0.2 0.865 61.5 16.7 -75.4 -37.7 8.4 40.2 59.7 99 158 A Y E -b 26 0A 31 -74,-1.6 -72,-2.7 2,-0.0 2,-0.4 -0.964 59.1-169.0-135.3 152.1 8.9 40.1 63.5 100 159 A V E -b 27 0A 4 -2,-0.3 96,-1.5 -74,-0.2 2,-0.4 -0.998 1.5-168.8-138.6 139.0 10.2 42.4 66.1 101 160 A V E -bE 28 195A 26 -74,-2.7 -72,-2.7 -2,-0.4 2,-0.4 -0.991 7.4-167.9-128.2 126.4 11.0 41.8 69.7 102 161 A E E +bE 29 194A 23 92,-3.1 92,-2.6 -2,-0.4 2,-0.3 -0.863 14.1 161.0-110.6 145.0 11.7 44.7 72.2 103 162 A S E -b 30 0A 20 -74,-1.9 -72,-2.3 -2,-0.4 2,-0.2 -0.992 35.4-120.8-158.8 149.7 13.2 44.3 75.6 104 163 A N E > -b 31 0A 39 88,-0.4 4,-1.4 -2,-0.3 3,-0.3 -0.539 41.9-106.0 -84.0 163.3 14.9 46.3 78.4 105 164 A F H > S+ 0 0 14 -74,-1.0 4,-1.4 1,-0.2 -73,-0.1 0.615 116.1 68.1 -71.2 -8.3 18.3 45.1 79.5 106 165 A T H >> S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.971 99.6 45.7 -68.5 -56.9 16.8 43.7 82.7 107 166 A A H 3> S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.3 -2,-0.2 0.895 110.1 58.9 -52.8 -39.4 14.8 41.0 80.8 108 167 A F H 3X S+ 0 0 31 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.889 104.5 48.5 -54.1 -44.3 18.1 40.4 79.0 109 168 A E H <>S+ 0 0 0 -4,-1.8 5,-1.6 1,-0.2 3,-0.7 0.954 116.8 30.3 -57.2 -57.9 21.2 34.9 80.6 113 172 A N H 3<5S+ 0 0 68 -4,-1.5 3,-0.3 3,-0.3 -1,-0.2 0.588 107.7 69.9 -85.6 -2.3 21.5 33.2 84.0 114 173 A E H 3<5S+ 0 0 113 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.797 106.4 44.1 -66.8 -29.7 18.1 31.6 83.6 115 174 A L T <<5S- 0 0 43 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.397 129.0-108.9 -88.2 3.2 20.2 29.7 81.1 116 175 A N T 5S- 0 0 130 -3,-0.3 -3,-0.3 -5,-0.1 -2,-0.1 0.908 73.4 -52.5 65.4 43.3 23.0 29.5 83.7 117 176 A G < - 0 0 2 -5,-1.6 2,-0.4 -6,-0.1 32,-0.2 0.179 62.9 -93.7 85.1 162.1 25.2 31.9 81.9 118 177 A V E -I 148 0D 0 30,-2.0 30,-2.9 31,-0.0 2,-0.3 -0.940 30.3-116.1-118.5 141.0 26.5 32.3 78.4 119 178 A K E +I 147 0D 121 -2,-0.4 2,-0.3 58,-0.3 28,-0.2 -0.558 41.3 169.0 -69.0 126.4 29.8 31.1 77.0 120 179 A V E -I 146 0D 4 26,-2.6 26,-1.7 -2,-0.3 2,-1.0 -0.960 30.0-142.8-143.5 127.5 32.0 34.0 75.9 121 180 A T E -I 145 0D 46 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.775 19.6-156.8 -89.7 101.1 35.6 34.0 74.9 122 181 A V E +I 144 0D 5 22,-1.7 22,-2.3 -2,-1.0 3,-0.1 -0.599 21.8 165.4 -74.1 133.5 37.1 37.3 76.2 123 182 A K + 0 0 166 -2,-0.3 2,-0.5 20,-0.2 -1,-0.1 0.615 44.1 75.0-122.2 -17.8 40.2 38.3 74.2 124 183 A S > - 0 0 48 1,-0.1 4,-2.1 2,-0.0 -1,-0.1 -0.882 47.7-162.8-120.5 124.2 41.1 41.9 75.0 125 184 A D H > S+ 0 0 101 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.867 97.7 61.7 -62.5 -38.6 42.7 43.5 78.0 126 185 A K H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 108.4 43.9 -50.6 -50.1 41.5 46.9 76.8 127 186 A V H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.884 109.6 53.9 -64.0 -44.9 38.0 45.5 77.1 128 187 A I H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 13,-0.2 0.932 112.3 46.9 -54.6 -45.5 38.6 43.9 80.5 129 188 A Q H X S+ 0 0 90 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.912 109.3 51.3 -65.3 -44.9 39.8 47.2 81.8 130 189 A Q H X S+ 0 0 74 -4,-2.3 4,-3.3 -5,-0.2 5,-0.2 0.947 112.7 45.8 -63.7 -44.0 37.0 49.3 80.4 131 190 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 6,-0.3 0.923 108.7 57.5 -59.1 -42.6 34.4 47.0 82.0 132 191 A K H <>S+ 0 0 71 -4,-2.1 5,-3.4 -5,-0.3 6,-0.2 0.895 115.7 36.3 -54.1 -41.3 36.4 47.1 85.2 133 192 A K H ><5S+ 0 0 133 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.830 112.3 57.2 -82.3 -37.9 36.0 50.9 85.2 134 193 A D H 3<5S+ 0 0 81 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.909 119.1 33.7 -56.2 -41.6 32.5 51.0 83.8 135 194 A T T ><5S- 0 0 29 -4,-2.6 3,-1.5 4,-0.2 -1,-0.2 0.281 108.9-120.0-101.5 6.3 31.4 48.9 86.7 136 195 A K T < 5S- 0 0 187 -3,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.897 75.7 -53.7 47.4 44.7 33.8 50.2 89.3 137 196 A G T 3 - 0 0 60 -2,-0.3 4,-3.2 -32,-0.2 3,-0.5 -0.448 39.0 -90.9 -90.1 171.6 26.3 35.5 84.3 150 209 A G H > S+ 0 0 0 -41,-0.3 4,-3.3 1,-0.3 5,-0.2 0.847 125.3 52.1 -56.2 -43.9 23.8 38.2 83.4 151 210 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.902 116.3 42.0 -56.3 -42.1 25.5 41.0 85.3 152 211 A E H > S+ 0 0 46 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.927 115.9 47.1 -74.6 -48.2 28.7 40.1 83.5 153 212 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.905 111.6 54.0 -55.9 -43.8 27.1 39.6 80.1 154 213 A L H X S+ 0 0 16 -4,-3.3 4,-0.8 -5,-0.3 -2,-0.2 0.948 109.6 45.9 -56.8 -51.5 25.2 42.8 80.6 155 214 A A H >X S+ 0 0 12 -4,-2.1 4,-1.8 1,-0.2 3,-0.7 0.876 110.8 53.3 -60.5 -41.2 28.4 44.8 81.2 156 215 A Y H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 109.7 49.6 -56.9 -40.3 30.1 43.2 78.3 157 216 A V H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.610 113.8 43.5 -82.2 -12.2 27.2 44.2 76.1 158 217 A R H << S+ 0 0 121 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.713 81.1 116.3-103.9 -26.2 27.1 47.9 77.2 159 218 A T < + 0 0 3 -4,-1.8 2,-0.3 -5,-0.2 11,-0.1 -0.107 37.6 165.7 -52.3 140.2 30.8 48.8 77.2 160 219 A R 0 0 60 -30,-0.1 5,-0.1 5,-0.1 -1,-0.0 -0.949 360.0 360.0-163.6 131.0 31.8 51.4 74.7 161 220 A K 0 0 180 -2,-0.3 3,-0.1 3,-0.2 -2,-0.0 -0.379 360.0 360.0 -60.6 360.0 34.8 53.7 74.1 162 ! 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 0.0 163 223 A S 0 0 89 0, 0.0 2,-0.1 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 54.7 31.8 57.4 69.4 164 224 A D - 0 0 85 -3,-0.1 2,-0.4 -105,-0.1 3,-0.3 -0.304 360.0 -62.1-131.5-156.8 30.7 54.3 67.5 165 225 A L + 0 0 45 1,-0.2 -5,-0.1 2,-0.1 -1,-0.0 -0.828 61.2 114.6-121.5 142.4 30.0 50.6 67.3 166 226 A L S > S+ 0 0 77 -2,-0.4 4,-1.5 0, 0.0 -1,-0.2 -0.202 84.2 81.8-176.6 -20.5 31.9 47.3 67.9 167 227 A R H > S+ 0 0 17 -3,-0.3 4,-2.0 2,-0.2 5,-0.1 0.858 84.4 54.7 -59.6 -41.3 29.4 47.3 70.6 168 228 A G H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 104.8 54.0 -63.8 -37.7 27.0 46.0 68.0 169 229 A Q H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.847 108.2 48.4 -61.7 -38.2 29.6 43.2 67.4 170 230 A R H X S+ 0 0 20 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.839 110.0 53.5 -69.5 -34.4 29.5 42.3 71.1 171 231 A Q H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.965 110.3 44.9 -67.4 -49.8 25.8 42.3 71.0 172 232 A X H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.844 111.3 56.3 -60.9 -31.9 25.6 39.9 68.1 173 233 A E H X S+ 0 0 64 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.930 111.7 39.9 -67.0 -46.7 28.3 37.8 69.8 174 234 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.838 112.1 57.0 -71.4 -35.2 26.3 37.3 73.0 175 235 A L H X S+ 0 0 56 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.911 108.6 45.6 -66.1 -41.5 23.0 36.9 71.2 176 236 A S H X S+ 0 0 30 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.856 110.7 55.3 -67.9 -32.2 24.4 34.0 69.2 177 237 A A H X S+ 0 0 12 -4,-1.4 4,-3.1 2,-0.2 -58,-0.3 0.913 104.7 53.2 -63.3 -42.3 25.8 32.7 72.5 178 238 A I H X S+ 0 0 23 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.915 108.7 49.1 -57.5 -46.6 22.3 32.8 74.0 179 239 A I H X S+ 0 0 56 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.937 112.2 49.6 -57.1 -48.4 21.0 30.7 71.1 180 240 A D H >X S+ 0 0 82 -4,-2.3 4,-0.9 1,-0.2 3,-0.7 0.956 112.2 45.8 -56.7 -51.5 23.8 28.2 71.6 181 241 A K H 3< S+ 0 0 53 -4,-3.1 3,-0.2 1,-0.2 -1,-0.2 0.811 111.0 55.1 -65.7 -26.0 23.3 27.9 75.3 182 242 A S H 3< S+ 0 0 48 -4,-1.9 -1,-0.2 -5,-0.2 3,-0.2 0.793 99.0 60.0 -77.2 -27.0 19.5 27.5 74.8 183 243 A K H << S+ 0 0 93 -4,-1.5 2,-1.3 -3,-0.7 -1,-0.2 0.747 88.0 75.1 -77.8 -21.7 19.9 24.6 72.4 184 244 A S < 0 0 90 -4,-0.9 -1,-0.2 -3,-0.2 -4,-0.0 -0.384 360.0 360.0 -85.5 56.8 21.6 22.5 75.0 185 245 A L 0 0 200 -2,-1.3 -2,-0.2 -3,-0.2 -1,-0.1 -0.114 360.0 360.0-165.4 360.0 18.4 21.8 76.9 186 ! 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 0.0 187 256 A D 0 0 114 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.1 8.5 30.3 77.7 188 257 A T - 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