==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 14-MAY-06 2H0A . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.S.KUMAREVEL,A.SHINKAI,S.YOKOYAMA,RIKEN STRUCTURAL . 258 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 0 0 0 1 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 65 A T 0 0 96 0, 0.0 30,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -72.0 10.4 28.7 65.3 2 66 A V E -a 31 0A 34 28,-0.2 47,-3.2 45,-0.2 48,-0.7 -0.916 360.0-157.4-122.0 144.3 14.1 29.5 65.6 3 67 A S E -ab 32 50A 0 28,-4.4 30,-3.6 -2,-0.4 2,-0.5 -0.944 10.0-151.4-118.3 138.3 16.6 31.3 63.3 4 68 A V E -ab 33 51A 3 46,-2.6 48,-2.0 -2,-0.4 2,-0.4 -0.938 8.2-168.7-117.6 127.7 20.4 30.9 63.5 5 69 A L E -ab 34 52A 4 28,-1.4 30,-2.5 -2,-0.5 48,-0.2 -0.904 13.5-142.4-114.3 141.7 23.0 33.5 62.4 6 70 A L E + b 0 53A 21 46,-2.1 48,-1.9 -2,-0.4 50,-0.3 -0.868 33.4 150.3-109.1 104.7 26.7 32.9 62.1 7 71 A P - 0 0 13 0, 0.0 30,-1.4 0, 0.0 47,-0.0 -0.080 18.0-172.1-107.6-152.3 29.1 35.7 63.1 8 72 A F + 0 0 86 28,-0.2 47,-0.0 -2,-0.1 30,-0.0 -0.006 60.6 48.7-161.6 -86.4 32.7 35.6 64.5 9 73 A V S S- 0 0 70 1,-0.1 0, 0.0 27,-0.0 0, 0.0 0.699 82.4-129.5 -50.6 -30.9 35.0 38.3 66.0 10 74 A A + 0 0 90 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.986 51.0 154.7 71.1 62.6 32.5 39.8 68.4 11 75 A T >> - 0 0 32 1,-0.0 4,-1.4 0, 0.0 3,-1.0 -0.636 62.5 -98.1-112.8 172.0 32.9 43.4 67.4 12 76 A E H 3> S+ 0 0 47 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.789 121.0 66.1 -63.3 -25.0 30.5 46.4 67.6 13 77 A F H 3> S+ 0 0 12 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.828 104.8 42.4 -65.3 -33.1 29.6 45.7 64.0 14 78 A Y H <> S+ 0 0 17 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.773 109.2 57.3 -86.0 -26.2 28.1 42.4 64.9 15 79 A R H X S+ 0 0 107 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.975 112.5 41.6 -65.9 -49.7 26.4 43.7 68.0 16 80 A R H X S+ 0 0 11 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.833 112.1 56.4 -62.9 -35.1 24.6 46.3 65.8 17 81 A L H X S+ 0 0 2 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.2 0.917 111.6 41.5 -63.8 -45.3 24.0 43.7 63.1 18 82 A V H X S+ 0 0 20 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.805 108.3 58.5 -73.9 -32.8 22.2 41.3 65.5 19 83 A E H X S+ 0 0 96 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.913 107.6 50.8 -61.8 -37.5 20.3 44.1 67.2 20 84 A G H X S+ 0 0 8 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.869 114.1 42.3 -65.4 -38.4 19.0 44.8 63.7 21 85 A I H X S+ 0 0 2 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.917 114.4 49.4 -74.5 -47.0 18.0 41.1 63.2 22 86 A E H X S+ 0 0 86 -4,-3.6 4,-2.5 1,-0.2 5,-0.4 0.946 105.0 58.5 -57.5 -50.5 16.5 40.6 66.7 23 87 A G H < S+ 0 0 54 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.891 117.8 33.6 -45.8 -44.1 14.5 43.8 66.4 24 88 A V H >X S+ 0 0 31 -4,-1.0 3,-2.3 -5,-0.2 4,-0.9 0.989 118.9 45.7 -77.1 -67.2 12.9 42.2 63.3 25 89 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.3 3,-0.8 0.797 109.6 54.8 -47.7 -41.2 12.7 38.4 64.0 26 90 A L G ><5S+ 0 0 97 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.3 0.646 100.1 61.6 -71.4 -14.3 11.4 38.8 67.6 27 91 A E G <45S+ 0 0 151 -3,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.786 106.2 46.2 -78.1 -27.6 8.5 40.9 66.3 28 92 A Q G <<5S- 0 0 69 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.127 123.5-106.7 -98.7 16.7 7.4 37.9 64.2 29 93 A R T < 5S+ 0 0 228 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.783 72.1 141.7 63.3 32.7 7.9 35.5 67.2 30 94 A Y < - 0 0 35 -5,-2.4 2,-0.3 -6,-0.1 -28,-0.2 -0.796 45.6-131.5-103.6 149.0 11.0 33.8 66.0 31 95 A D E -a 2 0A 101 -30,-2.6 -28,-4.4 -2,-0.3 2,-0.5 -0.752 16.2-134.5 -98.1 146.5 13.9 32.9 68.3 32 96 A L E -a 3 0A 38 -2,-0.3 2,-0.7 -30,-0.2 -28,-0.2 -0.880 11.6-163.5-107.2 126.4 17.5 33.8 67.5 33 97 A A E -a 4 0A 23 -30,-3.6 -28,-1.4 -2,-0.5 2,-0.5 -0.892 12.3-151.5-110.1 105.8 20.4 31.2 67.8 34 98 A L E -a 5 0A 96 -2,-0.7 -28,-0.2 -30,-0.2 -30,-0.1 -0.619 13.7-176.7 -78.7 121.6 23.8 32.9 67.8 35 99 A F - 0 0 71 -30,-2.5 -1,-0.1 -2,-0.5 -2,-0.0 -0.672 11.3-157.4-121.7 79.4 26.6 30.7 66.5 36 100 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -28,-0.2 -0.232 26.3-141.3 -51.3 142.2 30.0 32.4 66.7 37 101 A I + 0 0 49 -30,-1.4 2,-0.4 3,-0.0 -2,-0.0 -0.915 40.7 167.4-129.7 146.8 32.2 30.8 64.1 38 102 A L - 0 0 130 -2,-0.4 -30,-0.0 -30,-0.0 0, 0.0 -0.969 66.4 -81.0-137.7 124.0 35.7 29.5 63.5 39 103 A S S S+ 0 0 126 -2,-0.4 2,-0.2 1,-0.1 20,-0.0 0.038 77.3 126.0 -36.9 129.3 35.8 27.4 60.3 40 104 A L - 0 0 119 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.610 53.2-101.5-155.2-145.8 34.7 23.8 61.0 41 105 A A + 0 0 90 -2,-0.2 2,-0.3 0, 0.0 -2,-0.0 -0.845 38.4 155.3-164.0 123.5 32.0 21.5 59.5 42 106 A R - 0 0 113 -2,-0.3 -2,-0.1 1,-0.0 0, 0.0 -0.951 22.2-178.1-155.3 130.7 28.6 20.5 60.7 43 107 A L 0 0 132 -2,-0.3 -1,-0.0 20,-0.1 0, 0.0 0.021 360.0 360.0-114.6 24.8 25.4 19.3 59.0 44 108 A K 0 0 84 20,-0.0 -2,-0.0 3,-0.0 0, 0.0 0.816 360.0 360.0 44.5 360.0 23.4 19.1 62.1 45 ! 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 46 118 A Y 0 0 75 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-166.1 19.2 20.8 62.7 47 119 A L + 0 0 96 -46,-0.0 2,-0.3 2,-0.0 -45,-0.2 -0.286 360.0 103.1 -97.5 47.7 16.4 22.3 64.6 48 120 A T - 0 0 15 -2,-0.4 -45,-0.2 1,-0.1 3,-0.1 -0.938 57.9-151.8-128.4 151.2 16.5 25.7 63.0 49 121 A D S S+ 0 0 52 -47,-3.2 2,-0.3 -2,-0.3 -46,-0.2 0.812 76.0 4.1 -91.0 -35.4 14.2 27.2 60.3 50 122 A G E -b 3 0A 0 -48,-0.7 -46,-2.6 16,-0.2 2,-0.4 -0.995 60.7-135.6-152.5 157.0 16.6 29.6 58.6 51 123 A L E -bc 4 68A 11 16,-2.6 18,-2.6 -2,-0.3 2,-0.6 -0.946 5.2-164.4-121.9 134.2 20.2 30.8 58.5 52 124 A I E -bc 5 69A 1 -48,-2.0 -46,-2.1 -2,-0.4 2,-0.5 -0.949 14.4-158.6-114.7 111.0 21.7 34.3 58.4 53 125 A L E -bc 6 70A 20 16,-1.4 18,-2.7 -2,-0.6 2,-0.4 -0.803 9.4-149.8 -95.4 126.7 25.4 34.3 57.4 54 126 A A E - c 0 71A 5 -48,-1.9 2,-3.2 -2,-0.5 18,-0.2 -0.788 55.4 -33.3-105.6 139.0 27.4 37.4 58.3 55 127 A S S S+ 0 0 7 16,-2.0 2,-0.5 -2,-0.4 19,-0.1 0.055 113.6 81.8 52.2 -28.5 30.5 39.0 56.7 56 128 A Y - 0 0 48 -2,-3.2 15,-0.1 -50,-0.3 17,-0.1 -0.919 60.0-166.0-114.8 131.2 31.9 35.7 55.4 57 129 A D - 0 0 56 -2,-0.5 -1,-0.2 2,-0.1 18,-0.1 0.911 38.7 -0.3 -76.9-107.9 30.8 33.9 52.3 58 130 A L 0 0 95 1,-0.2 -1,-0.0 4,-0.0 17,-0.0 -0.008 360.0 360.0 -86.8-173.8 31.4 30.4 50.9 59 131 A T 0 0 121 -20,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.074 360.0 360.0 -29.0 360.0 33.1 27.1 51.8 60 ! 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 61 138 A R 0 0 177 0, 0.0 17,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 47.5 26.8 26.2 48.2 62 139 A L - 0 0 62 1,-0.1 6,-0.0 2,-0.1 -4,-0.0 -0.304 360.0-127.7 -73.4 160.5 25.9 25.2 51.8 63 140 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 0.753 72.1 100.2 -80.7 -28.6 24.5 21.7 52.7 64 141 A T - 0 0 49 1,-0.1 4,-0.1 2,-0.0 -2,-0.1 -0.186 64.2-143.7 -65.6 151.8 21.3 22.6 54.6 65 142 A E S S+ 0 0 172 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.589 75.1 103.7 -85.0 -14.8 17.8 22.5 53.1 66 143 A R S S- 0 0 88 1,-0.1 -16,-0.2 -16,-0.0 2,-0.2 -0.313 86.3 -98.3 -67.1 150.8 17.0 25.5 55.2 67 144 A P - 0 0 37 0, 0.0 -16,-2.6 0, 0.0 2,-0.4 -0.489 39.4-155.7 -72.0 140.5 16.9 28.9 53.5 68 145 A V E -c 51 0A 13 -18,-0.2 11,-0.7 -2,-0.2 2,-0.5 -0.973 11.9-173.0-125.2 129.8 20.0 31.0 53.8 69 146 A V E -cd 52 79A 1 -18,-2.6 -16,-1.4 -2,-0.4 2,-0.3 -0.978 15.1-145.6-123.4 122.0 20.4 34.8 53.5 70 147 A L E -cd 53 80A 2 9,-2.7 11,-2.3 -2,-0.5 2,-0.4 -0.616 11.9-166.6 -85.7 143.1 23.8 36.5 53.5 71 148 A V E S+cd 54 81A 0 -18,-2.7 -16,-2.0 -2,-0.3 11,-0.2 -0.998 74.3 9.5-132.8 135.0 24.4 39.9 55.1 72 149 A D S S+ 0 0 11 9,-1.9 2,-0.3 -2,-0.4 10,-0.2 0.707 122.3 78.8 70.2 20.1 27.4 42.1 54.6 73 150 A A S S- 0 0 12 8,-1.3 2,-0.4 -20,-0.1 -1,-0.3 -0.947 70.4-136.6-149.6 165.0 28.3 39.6 51.8 74 151 A Q + 0 0 105 -2,-0.3 5,-0.1 -3,-0.1 -3,-0.1 -0.978 22.5 164.0-131.5 145.2 27.3 38.8 48.3 75 152 A N > - 0 0 12 3,-0.4 3,-1.0 -2,-0.4 -5,-0.1 -0.938 37.3-137.8-161.0 133.7 26.6 35.5 46.5 76 153 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.703 107.1 47.5 -64.2 -19.8 24.9 34.6 43.2 77 154 A R T 3 S+ 0 0 111 162,-0.1 2,-0.3 2,-0.1 164,-0.1 0.431 109.2 51.1-104.1 -1.1 23.1 31.8 44.9 78 155 A Y S < S- 0 0 39 -3,-1.0 -3,-0.4 162,-0.1 2,-0.2 -0.979 89.4 -97.7-138.3 150.3 21.8 33.4 48.1 79 156 A D E -d 69 0A 6 -11,-0.7 -9,-2.7 -2,-0.3 2,-0.4 -0.469 52.0-167.0 -61.4 131.4 19.7 36.5 49.0 80 157 A S E -de 70 242A 2 161,-1.5 163,-2.8 -11,-0.2 2,-0.4 -0.982 23.8-168.4-134.8 131.1 22.4 39.0 50.0 81 158 A V E +de 71 243A 0 -11,-2.3 -9,-1.9 -2,-0.4 -8,-1.3 -0.889 29.4 153.3-108.4 141.8 22.3 42.4 51.7 82 159 A Y E - e 0 244A 26 161,-2.3 163,-3.1 -2,-0.4 2,-0.3 -0.984 37.8-110.0-161.7 167.3 25.5 44.4 51.5 83 160 A L E - e 0 245A 8 -2,-0.3 2,-1.7 161,-0.2 163,-0.2 -0.783 26.8-119.3-107.6 149.7 27.0 47.9 51.6 84 161 A D + 0 0 34 161,-2.1 3,-0.1 -2,-0.3 160,-0.0 -0.650 40.4 170.8 -85.2 83.4 28.7 49.8 48.8 85 162 A N S > S+ 0 0 13 -2,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.752 70.9 61.7 -67.2 -26.7 32.0 50.1 50.5 86 163 A R H >> S+ 0 0 88 -3,-0.2 4,-1.5 2,-0.2 3,-0.6 0.928 100.2 60.7 -65.2 -44.9 33.8 51.5 47.4 87 164 A L H 34 S+ 0 0 29 1,-0.2 39,-0.1 2,-0.2 38,-0.1 -0.622 105.8 38.0 -74.5 142.5 31.4 54.4 47.6 88 165 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.2 37,-0.1 -1,-0.2 -0.181 106.3 67.5 102.9 -43.7 32.2 55.9 51.0 89 166 A G H S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.901 112.4 46.2 -59.5 -36.4 32.9 59.9 50.2 92 169 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.928 114.2 45.3 -70.2 -48.7 36.0 59.8 52.5 93 170 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.958 114.3 46.5 -60.9 -53.7 38.6 60.7 49.8 94 171 A A H < S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.773 116.1 49.3 -60.0 -27.3 36.6 63.5 48.3 95 172 A Y H >< S+ 0 0 8 -4,-1.0 3,-1.5 -5,-0.4 -2,-0.2 0.947 112.2 42.3 -78.3 -52.2 35.9 64.8 51.7 96 173 A L H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.783 100.4 75.2 -64.6 -28.0 39.4 64.8 53.2 97 174 A A T 3< S+ 0 0 17 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.482 85.1 67.2 -63.1 -0.8 40.6 66.2 49.9 98 175 A R T < S+ 0 0 132 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.280 89.8 81.4-105.1 11.5 39.1 69.5 51.1 99 176 A F S < S- 0 0 3 -3,-2.0 69,-0.1 2,-0.1 4,-0.0 -0.854 78.0-109.0-122.0 154.4 41.6 70.0 53.9 100 177 A P S S+ 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.300 78.1 42.0 -71.9 158.1 45.2 71.4 54.3 101 178 A G S S- 0 0 24 66,-0.1 66,-0.2 64,-0.1 -2,-0.1 0.259 99.3 -51.4 83.1 149.5 48.1 69.1 55.1 102 179 A P - 0 0 48 0, 0.0 66,-2.3 0, 0.0 2,-0.5 -0.169 53.0-126.9 -57.3 143.1 49.0 65.6 53.7 103 180 A I E -f 168 0B 2 64,-0.2 2,-0.3 32,-0.1 66,-0.2 -0.828 27.7-175.6 -99.6 125.2 46.3 62.9 53.7 104 181 A F E -f 169 0B 3 64,-3.2 66,-1.9 -2,-0.5 2,-0.3 -0.781 7.0-155.0-115.1 161.5 47.1 59.5 55.4 105 182 A A E -fg 170 142B 0 36,-1.9 38,-1.7 -2,-0.3 2,-0.5 -0.979 8.3-144.2-139.0 149.6 45.1 56.3 55.5 106 183 A I E - g 0 143B 2 64,-3.0 2,-0.5 -2,-0.3 38,-0.2 -0.965 14.5-160.6-116.2 126.1 45.0 53.3 57.9 107 184 A A E - g 0 144B 20 36,-3.2 38,-2.2 -2,-0.5 2,-0.4 -0.929 14.7-134.3-110.5 125.4 44.3 49.9 56.4 108 185 A V E - g 0 145B 11 -2,-0.5 2,-0.5 36,-0.2 38,-0.2 -0.652 18.4-169.2 -81.6 127.7 43.0 47.1 58.6 109 186 A E + 0 0 111 36,-3.2 2,-0.5 -2,-0.4 4,-0.1 -0.818 12.6 168.0-121.3 89.5 44.8 43.8 58.1 110 187 A E - 0 0 56 -2,-0.5 36,-0.0 2,-0.1 -2,-0.0 -0.907 40.6-127.7-106.0 126.4 43.1 40.8 59.8 111 188 A E S S+ 0 0 153 -2,-0.5 2,-1.6 1,-0.2 3,-0.1 0.782 95.6 80.2 -36.0 -44.6 44.2 37.3 58.9 112 189 A P + 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.530 47.6 130.0 -73.4 89.6 40.6 36.3 58.2 113 190 A D 0 0 91 -2,-1.6 -2,-0.1 1,-0.1 -4,-0.0 0.213 360.0 360.0-122.3 9.3 40.1 37.7 54.7 114 191 A R 0 0 113 -3,-0.1 -1,-0.1 -57,-0.0 -58,-0.1 -0.987 360.0 360.0-128.1 360.0 38.7 34.5 53.2 115 ! 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 0.0 116 195 A R 0 0 79 0, 0.0 -60,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.1 36.7 39.4 52.3 117 196 A T > + 0 0 87 2,-0.1 4,-3.1 1,-0.1 5,-0.3 0.104 360.0 125.5-136.0 24.5 37.6 42.8 50.7 118 197 A V H > S+ 0 0 15 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.875 88.8 42.8 -50.8 -39.4 35.5 45.4 52.5 119 198 A F H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.822 109.9 55.9 -76.7 -33.4 38.8 47.2 53.2 120 199 A A H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.896 111.5 45.2 -64.6 -40.0 40.1 46.6 49.7 121 200 A E H X S+ 0 0 74 -4,-3.1 4,-2.1 2,-0.2 5,-0.3 0.936 110.8 51.4 -69.1 -49.0 37.0 48.3 48.3 122 201 A R H X S+ 0 0 12 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.911 112.2 48.0 -54.4 -44.3 37.1 51.2 50.7 123 202 A M H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.832 108.3 54.1 -67.8 -33.2 40.7 51.8 49.8 124 203 A A H X S+ 0 0 21 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.904 112.0 42.9 -68.8 -41.9 40.1 51.6 46.0 125 204 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.838 110.4 58.3 -71.6 -32.8 37.4 54.3 46.2 126 205 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.944 109.5 43.6 -60.4 -48.1 39.5 56.4 48.5 127 206 A Q H X S+ 0 0 91 -4,-2.1 4,-2.3 2,-0.2 10,-0.3 0.872 112.5 52.4 -66.4 -38.5 42.3 56.4 45.9 128 207 A E H X S+ 0 0 80 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.930 111.9 45.1 -64.7 -45.2 39.9 57.1 43.0 129 208 A A H X S+ 0 0 6 -4,-2.7 4,-0.7 2,-0.2 6,-0.2 0.914 113.3 50.2 -65.0 -43.5 38.3 60.1 44.8 130 209 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.2 3,-0.6 0.902 111.7 48.9 -60.2 -43.0 41.7 61.5 45.8 131 210 A K H ><5S+ 0 0 142 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.960 108.9 51.9 -60.6 -52.5 43.0 61.2 42.3 132 211 A E H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.607 107.8 54.8 -62.0 -12.3 39.9 62.9 40.8 133 212 A A T <<5S- 0 0 52 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.365 117.6-108.3-103.7 3.7 40.4 65.8 43.3 134 213 A G T < 5S+ 0 0 64 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.405 98.2 95.4 86.4 -2.4 44.0 66.5 42.3 135 214 A R < - 0 0 75 -5,-1.7 -4,-0.2 -6,-0.2 -3,-0.1 -0.486 61.7-167.5-119.4 61.1 45.5 65.1 45.5 136 215 A P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 -0.106 18.0-120.5 -51.6 143.0 46.4 61.5 44.5 137 216 A F - 0 0 26 -10,-0.3 -33,-0.1 -11,-0.1 5,-0.0 -0.328 22.3-157.4 -82.2 164.6 47.3 59.1 47.3 138 217 A S > - 0 0 37 -2,-0.1 3,-2.1 1,-0.0 4,-0.0 -0.996 27.8-122.8-144.5 146.1 50.6 57.2 47.8 139 218 A P G > S+ 0 0 107 0, 0.0 3,-1.0 0, 0.0 -1,-0.0 0.654 108.2 71.1 -63.8 -12.8 51.5 54.0 49.7 140 219 A D G 3 S+ 0 0 84 1,-0.2 -36,-0.0 3,-0.0 -3,-0.0 0.475 99.3 47.8 -81.8 -0.6 54.1 56.0 51.6 141 220 A R G < S+ 0 0 44 -3,-2.1 -36,-1.9 -38,-0.0 2,-0.3 0.129 97.4 96.0-120.4 15.0 51.2 57.7 53.4 142 221 A L E < -g 105 0B 43 -3,-1.0 2,-0.4 -38,-0.2 -36,-0.2 -0.761 53.6-164.7-105.8 151.2 49.5 54.4 54.1 143 222 A Y E -g 106 0B 54 -38,-1.7 -36,-3.2 -2,-0.3 2,-0.4 -0.994 5.4-155.0-139.2 131.0 49.7 52.4 57.3 144 223 A I E +g 107 0B 92 -2,-0.4 2,-0.2 -38,-0.2 -36,-0.2 -0.891 33.8 127.8-107.8 134.6 48.7 48.8 57.8 145 224 A T E -g 108 0B 22 -38,-2.2 -36,-3.2 -2,-0.4 2,-0.2 -0.884 52.4 -64.8-161.8-168.9 47.7 47.4 61.2 146 225 A R - 0 0 140 -2,-0.2 2,-1.9 -38,-0.2 5,-0.1 -0.491 54.2 -94.1 -92.6 165.0 45.1 45.5 63.2 147 226 A H S S+ 0 0 55 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.533 87.0 99.4 -79.6 78.6 41.5 46.6 64.0 148 227 A S S > S- 0 0 27 -2,-1.9 4,-1.3 1,-0.1 31,-0.1 -0.958 83.0-110.5-154.1 169.3 42.2 48.2 67.4 149 228 A Q H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.816 117.4 59.4 -74.1 -31.0 42.8 51.5 69.1 150 229 A E H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.887 102.1 53.1 -64.3 -39.4 46.4 50.6 69.6 151 230 A G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 108.6 49.9 -61.6 -42.9 46.8 50.2 65.9 152 231 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.882 111.7 48.0 -62.9 -39.0 45.5 53.7 65.4 153 232 A R H X S+ 0 0 73 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 110.6 50.5 -67.5 -45.2 47.8 55.1 68.0 154 233 A L H X S+ 0 0 100 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.912 112.7 50.2 -57.6 -41.1 50.8 53.3 66.4 155 234 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.928 106.8 49.2 -65.3 -50.7 49.7 54.8 63.1 156 235 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.910 111.3 52.9 -56.8 -39.1 49.4 58.4 64.1 157 236 A R H X S+ 0 0 146 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.3 0.877 110.1 49.0 -61.8 -37.3 52.8 58.1 65.6 158 237 A H H >< S+ 0 0 49 -4,-1.4 3,-1.0 1,-0.2 4,-0.4 0.932 111.7 47.0 -67.6 -48.7 54.0 56.8 62.3 159 238 A F H >X S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-1.5 0.843 102.9 65.1 -63.0 -35.3 52.4 59.6 60.3 160 239 A L H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 97.4 53.7 -64.2 -20.8 53.8 62.2 62.7 161 240 A E T << S+ 0 0 145 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.575 112.1 46.4 -89.2 -6.1 57.4 61.4 61.7 162 241 A K T <4 S+ 0 0 104 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.621 126.5 8.5-102.6 -21.4 56.5 61.9 58.1 163 242 A A < - 0 0 22 -4,-1.5 -1,-0.3 -62,-0.0 4,-0.1 -0.995 63.5-128.8-160.7 153.6 54.6 65.2 58.6 164 243 A S - 0 0 88 -2,-0.3 -3,-0.0 1,-0.1 -4,-0.0 -0.607 56.6 -42.7 -99.8 162.5 53.8 67.9 61.1 165 244 A P S S+ 0 0 60 0, 0.0 29,-0.2 0, 0.0 -1,-0.1 -0.313 105.3 60.9 -62.4 151.1 50.3 69.1 61.9 166 245 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 29,-0.2 0.542 74.2 144.1 -83.3 150.7 47.9 69.8 60.3 167 246 A L E - h 0 195B 0 27,-1.9 29,-1.7 26,-0.2 2,-0.4 -0.992 39.5-130.6-149.3 152.0 47.4 66.4 58.8 168 247 A N E -fh 103 196B 0 -66,-2.3 -64,-3.2 -2,-0.3 2,-0.4 -0.864 17.7-166.7-109.6 139.6 44.5 64.2 57.8 169 248 A V E -fh 104 197B 0 27,-2.4 29,-2.1 -2,-0.4 2,-0.8 -0.986 15.0-159.7-129.3 130.8 43.9 60.6 58.7 170 249 A F E -fh 105 198B 3 -66,-1.9 -64,-3.0 -2,-0.4 29,-0.2 -0.892 12.3-170.1-106.6 97.9 41.4 58.1 57.3 171 250 A A - 0 0 0 27,-1.7 28,-0.2 -2,-0.8 -1,-0.2 0.867 18.4-146.5 -57.0 -42.0 41.2 55.5 60.0 172 251 A G S S+ 0 0 3 26,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.134 77.9 41.1 93.7 -23.2 39.3 53.1 58.0 173 252 A A S > S- 0 0 0 25,-0.1 4,-2.3 1,-0.1 28,-0.2 -0.970 80.0-126.9-154.5 143.1 37.4 51.8 61.1 174 253 A D H > S+ 0 0 0 26,-1.8 4,-1.7 -2,-0.3 5,-0.2 0.883 108.6 58.0 -61.7 -38.0 36.0 53.7 64.1 175 254 A Q H > S+ 0 0 49 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.923 111.0 42.2 -57.0 -46.0 37.8 51.5 66.6 176 255 A V H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.889 110.0 58.7 -67.4 -40.2 41.2 52.5 65.0 177 256 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.782 98.3 59.8 -60.2 -30.4 40.0 56.1 64.7 178 257 A L H 3X S+ 0 0 33 -4,-1.7 4,-2.9 -3,-0.2 -1,-0.3 0.879 105.7 48.8 -66.6 -36.2 39.5 56.2 68.5 179 258 A G H X S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.3 4,-1.8 0.990 109.4 45.6 -63.7 -56.0 46.5 62.9 69.3 185 264 A V H 3< S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.859 98.3 69.1 -52.8 -42.0 45.0 64.2 72.5 186 265 A R T 3< S+ 0 0 143 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.494 125.5 11.8 -57.1 0.9 47.8 62.6 74.5 187 266 A L T <4 S- 0 0 92 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.325 124.8 -10.9-139.4 -80.0 49.7 65.3 72.7 188 267 A G S < S- 0 0 31 -4,-1.8 -1,-0.3 1,-0.2 7,-0.3 -0.887 82.3 -44.7-138.5 169.0 47.8 68.1 70.8 189 268 A L > - 0 0 73 -2,-0.3 5,-0.8 5,-0.1 6,-0.6 0.343 37.5-157.6 -24.1 148.2 44.5 69.4 69.5 190 269 A T T 5S+ 0 0 23 4,-0.2 7,-0.3 3,-0.1 -1,-0.1 0.738 77.6 53.6-108.5 -32.8 42.2 67.1 67.7 191 270 A P T 5S- 0 0 55 0, 0.0 6,-0.0 0, 0.0 61,-0.0 0.955 131.3 -20.2 -72.5 -51.8 39.9 69.2 65.4 192 271 A G T 5S+ 0 0 25 4,-0.1 -25,-0.2 64,-0.0 4,-0.1 0.688 122.5 64.2-128.5 -38.2 42.3 71.3 63.4 193 272 A R T 5S+ 0 0 154 -27,-0.1 -26,-0.2 -28,-0.1 -3,-0.1 0.966 115.6 11.3 -55.0 -86.2 45.8 71.6 65.0 194 273 A D S - 0 0 5 -3,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.187 35.9-112.6 -57.2 152.1 29.3 53.2 65.5 204 283 A P T >> S+ 0 0 58 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.890 116.2 61.1 -53.2 -42.5 27.2 54.6 68.4 205 284 A F H 3> S+ 0 0 38 1,-0.3 4,-1.1 2,-0.2 6,-0.2 0.635 88.9 77.0 -63.1 -8.9 30.4 55.4 70.4 206 285 A A H <>>S+ 0 0 0 -3,-2.1 5,-1.9 1,-0.2 4,-0.5 0.767 85.9 57.7 -73.0 -26.9 31.4 57.7 67.6 207 286 A E H X45S+ 0 0 135 -3,-1.6 3,-0.9 -4,-0.3 -1,-0.2 0.942 107.3 44.0 -71.1 -48.5 29.0 60.5 68.6 208 287 A E H 3<5S+ 0 0 160 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.822 111.9 55.3 -65.7 -30.6 30.2 61.0 72.1 209 288 A A H 3<5S- 0 0 42 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.638 107.9-126.8 -76.3 -14.8 33.8 60.9 70.9 210 289 A G T <<5 + 0 0 19 -3,-0.9 44,-3.4 -4,-0.5 2,-0.4 0.746 53.1 160.5 73.4 23.5 33.1 63.7 68.4 211 290 A L < - 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