==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-10 3PW9 . COMPND 2 MOLECULE: UPF0603 PROTEIN AT1G54780, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR H.Y.WU,M.S.LIU,T.P.LIN,Y.S.CHENG . 154 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 1 0 0 2 0 2 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL 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 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 83 A S > 0 0 59 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 156.1 34.0 33.1 103.5 2 84 A A H > + 0 0 70 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.864 360.0 55.7 -62.3 -29.2 37.3 35.0 103.6 3 85 A S H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.978 106.7 45.1 -64.9 -55.8 38.3 32.7 100.7 4 86 A E H > S+ 0 0 15 1,-0.2 4,-1.4 51,-0.2 -1,-0.2 0.884 120.1 43.7 -54.2 -42.3 35.4 33.5 98.3 5 87 A F H X S+ 0 0 117 -4,-2.1 4,-3.5 2,-0.2 5,-0.2 0.932 112.8 50.0 -70.0 -50.2 35.9 37.2 99.1 6 88 A N H X S+ 0 0 59 -4,-3.2 4,-3.7 -5,-0.2 5,-0.2 0.920 108.8 51.4 -56.3 -49.6 39.7 37.2 98.9 7 89 A I H X S+ 0 0 2 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.936 118.2 38.8 -53.5 -49.4 39.9 35.4 95.5 8 90 A L H >< S+ 0 0 23 -4,-1.4 3,-1.1 -5,-0.3 -2,-0.2 0.968 120.3 46.4 -63.2 -55.6 37.4 37.9 94.1 9 91 A N H 3< S+ 0 0 83 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.852 105.4 56.8 -56.4 -46.1 38.9 40.9 95.9 10 92 A D H 3< S- 0 0 109 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.624 96.1-147.5 -70.2 -11.2 42.5 40.3 95.2 11 93 A G << - 0 0 18 -3,-1.1 -1,-0.1 -4,-0.5 62,-0.1 -0.085 40.4 -26.7 73.6-178.6 42.1 40.3 91.5 12 94 A P - 0 0 48 0, 0.0 2,-1.1 0, 0.0 5,-0.1 -0.266 61.8-112.5 -71.7 151.3 44.1 38.2 88.9 13 95 A P - 0 0 19 0, 0.0 -2,-0.1 0, 0.0 6,-0.0 -0.728 31.5-175.5 -85.1 102.2 47.6 37.0 89.6 14 96 A K S S+ 0 0 168 -2,-1.1 3,-0.1 1,-0.2 -3,-0.0 0.295 83.0 35.7 -81.7 13.4 49.6 39.0 87.0 15 97 A E S S+ 0 0 164 1,-0.4 2,-0.3 3,-0.1 -1,-0.2 0.536 124.6 35.3-128.5 -36.5 52.9 37.2 87.8 16 98 A T S S- 0 0 59 2,-0.1 -1,-0.4 21,-0.0 15,-0.1 -0.686 71.0-141.6-111.5 169.5 51.7 33.7 88.6 17 99 A Y S S+ 0 0 18 -2,-0.3 33,-2.5 13,-0.2 2,-0.4 0.111 76.3 75.0-118.7 20.2 48.8 32.1 86.8 18 100 A V E -a 50 0A 4 31,-0.2 2,-0.6 33,-0.0 33,-0.2 -0.993 51.1-167.5-143.7 136.1 47.4 30.4 89.9 19 101 A V E -a 51 0A 19 31,-2.7 33,-2.8 -2,-0.4 2,-1.2 -0.914 14.3-175.2-118.6 97.6 45.5 31.2 93.0 20 102 A D E > +a 52 0A 5 -2,-0.6 3,-1.4 31,-0.2 5,-0.2 -0.531 19.1 157.2 -92.8 66.0 45.8 28.1 95.1 21 103 A D T 3 S+ 0 0 54 -2,-1.2 32,-0.2 31,-1.2 -1,-0.2 0.780 74.6 54.2 -61.4 -30.4 43.5 29.3 98.0 22 104 A A T 3 S- 0 0 26 30,-0.4 -1,-0.3 -3,-0.2 31,-0.1 0.587 104.6-135.3 -79.1 -10.8 43.0 25.7 99.0 23 105 A G < + 0 0 59 -3,-1.4 -2,-0.1 29,-0.2 -3,-0.1 0.895 62.7 132.3 59.0 41.0 46.7 25.3 99.3 24 106 A V + 0 0 37 105,-0.1 2,-0.4 2,-0.1 106,-0.2 0.295 45.3 81.0-106.0 9.8 46.6 21.9 97.5 25 107 A L S S- 0 0 12 -5,-0.2 2,-0.1 104,-0.1 -5,-0.1 -0.933 74.5-125.3-119.6 142.4 49.4 22.5 95.0 26 108 A S > - 0 0 48 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.441 24.6-114.7 -80.6 155.2 53.1 22.1 95.5 27 109 A R H > S+ 0 0 200 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.839 117.3 55.5 -58.9 -30.5 55.6 24.9 94.8 28 110 A V H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 109.5 44.0 -67.0 -49.8 57.1 22.7 92.1 29 111 A T H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.877 112.0 53.5 -63.1 -35.7 53.8 22.2 90.3 30 112 A K H X S+ 0 0 43 -4,-2.7 4,-2.4 2,-0.2 -13,-0.2 0.887 109.9 48.6 -66.9 -32.7 53.0 25.9 90.7 31 113 A S H X S+ 0 0 55 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.892 111.4 49.6 -71.0 -39.7 56.4 26.7 89.0 32 114 A D H X S+ 0 0 62 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.841 110.7 50.7 -67.6 -33.3 55.6 24.2 86.2 33 115 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.947 108.2 51.4 -68.5 -49.0 52.2 25.9 85.7 34 116 A K H X S+ 0 0 102 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.919 111.7 48.3 -54.1 -44.9 53.7 29.3 85.5 35 117 A K H X S+ 0 0 137 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.940 115.5 43.4 -60.3 -48.7 56.1 28.1 82.9 36 118 A L H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.951 120.8 39.4 -64.2 -49.3 53.4 26.4 80.8 37 119 A L H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 11,-0.2 0.825 112.2 54.1 -75.0 -31.5 50.9 29.2 81.1 38 120 A S H X S+ 0 0 47 -4,-2.8 4,-2.4 -5,-0.4 -1,-0.2 0.894 111.6 49.1 -67.5 -33.8 53.4 32.1 80.7 39 121 A D H X S+ 0 0 72 -4,-1.6 4,-2.5 -5,-0.3 5,-0.3 0.911 108.4 52.0 -69.7 -40.2 54.5 30.3 77.5 40 122 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 6,-0.5 0.946 112.0 46.7 -61.2 -45.0 50.9 30.0 76.3 41 123 A E H X S+ 0 0 49 -4,-2.4 4,-1.6 4,-0.2 -2,-0.2 0.894 111.5 50.8 -63.8 -40.2 50.3 33.7 76.9 42 124 A Y H < S+ 0 0 185 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.935 121.3 33.5 -62.1 -46.8 53.6 34.6 75.1 43 125 A R H < S+ 0 0 90 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.886 134.9 20.0 -77.4 -45.6 52.7 32.5 72.1 44 126 A K H < S- 0 0 99 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.405 91.0-125.8-109.6 -3.2 48.9 32.7 71.8 45 127 A K < + 0 0 151 -4,-1.6 2,-0.4 -5,-0.5 -4,-0.2 0.823 67.5 131.0 59.7 32.7 48.1 35.8 73.7 46 128 A L - 0 0 14 -6,-0.5 2,-0.7 -9,-0.1 -1,-0.2 -0.969 47.1-152.5-116.6 129.5 45.6 33.9 75.9 47 129 A R E - b 0 83A 11 35,-2.7 37,-2.4 -2,-0.4 2,-0.5 -0.894 13.7-172.3-108.9 105.1 45.9 34.2 79.7 48 130 A L E - b 0 84A 0 -2,-0.7 2,-0.4 -11,-0.2 37,-0.2 -0.863 1.7-170.0-101.5 121.3 44.7 31.1 81.5 49 131 A N E - b 0 85A 0 35,-2.7 37,-2.8 -2,-0.5 2,-0.4 -0.906 9.0-151.7-111.6 145.0 44.4 31.3 85.3 50 132 A F E -ab 18 86A 2 -33,-2.5 -31,-2.7 -2,-0.4 2,-0.4 -0.909 10.7-168.0-112.1 139.5 43.7 28.3 87.7 51 133 A I E -ab 19 87A 1 35,-3.0 37,-2.4 -2,-0.4 2,-0.4 -0.991 4.6-167.3-130.1 125.9 41.9 28.8 91.0 52 134 A T E +ab 20 88A 0 -33,-2.8 -31,-1.2 -2,-0.4 -30,-0.4 -0.912 13.0 169.2-109.1 142.2 41.6 26.3 93.8 53 135 A V E - b 0 89A 0 35,-2.4 37,-1.7 -2,-0.4 38,-0.3 -0.984 30.5-142.9-149.7 135.7 39.2 26.8 96.7 54 136 A R S S- 0 0 146 -2,-0.3 37,-2.1 1,-0.2 38,-0.5 0.958 80.0 -12.7 -67.7 -48.3 38.2 24.4 99.4 55 137 A K - 0 0 114 36,-0.1 2,-0.6 35,-0.1 -1,-0.2 -0.996 63.4-119.9-153.8 146.6 34.5 25.3 99.7 56 138 A L - 0 0 17 -2,-0.3 6,-0.0 1,-0.2 33,-0.0 -0.817 12.6-154.2 -94.4 120.8 32.2 28.2 98.6 57 139 A T S S+ 0 0 93 -2,-0.6 -1,-0.2 2,-0.1 -55,-0.0 0.916 82.9 62.1 -55.5 -45.0 30.5 30.1 101.5 58 140 A S S S- 0 0 45 1,-0.1 -2,-0.1 -3,-0.1 -54,-0.0 -0.102 96.5-115.3 -71.9 178.9 27.7 31.1 99.1 59 141 A K S S+ 0 0 213 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.515 75.9 120.7 -95.4 -5.0 25.5 28.4 97.6 60 142 A A - 0 0 25 1,-0.1 -4,-0.1 4,-0.1 2,-0.1 -0.194 60.6-126.7 -56.6 148.1 26.7 29.2 94.0 61 143 A D > - 0 0 67 1,-0.0 4,-2.5 4,-0.0 5,-0.2 -0.254 31.2 -86.6 -89.6-176.6 28.3 26.3 92.2 62 144 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 125.9 45.7 -58.8 -47.7 31.7 26.2 90.5 63 145 A F H > S+ 0 0 111 1,-0.2 4,-2.6 32,-0.2 5,-0.2 0.928 112.7 51.5 -65.4 -42.7 30.6 27.5 87.1 64 146 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 113.7 44.2 -58.8 -42.3 28.6 30.3 88.8 65 147 A Y H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.889 110.0 54.7 -71.1 -37.4 31.6 31.3 90.8 66 148 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.931 110.3 47.6 -59.0 -44.7 34.0 31.0 87.8 67 149 A D H X S+ 0 0 64 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 109.0 54.0 -64.0 -38.8 31.7 33.5 85.9 68 150 A Q H X S+ 0 0 83 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.873 110.4 46.6 -65.6 -35.6 31.7 35.7 89.0 69 151 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.921 109.9 52.9 -71.6 -42.4 35.5 35.8 89.0 70 152 A L H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.945 113.3 44.1 -56.2 -49.8 35.7 36.4 85.2 71 153 A E H < S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 117.4 44.9 -66.0 -34.5 33.4 39.4 85.5 72 154 A K H < S+ 0 0 120 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.887 119.9 38.8 -78.2 -40.7 35.1 40.9 88.6 73 155 A W H < S+ 0 0 15 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.881 131.0 27.6 -76.7 -39.1 38.6 40.4 87.4 74 156 A Y S < S+ 0 0 22 -4,-2.4 -1,-0.3 -5,-0.4 6,-0.2 -0.691 70.9 178.1-125.4 77.7 38.0 41.4 83.8 75 157 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.246 63.7 43.7 -68.2 13.5 35.0 43.8 83.8 76 158 A S S > S- 0 0 46 1,-0.1 4,-2.8 -2,-0.1 3,-0.4 -0.978 83.6-116.3-152.2 154.5 34.9 44.5 80.0 77 159 A I H > S+ 0 0 116 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.830 114.9 62.4 -65.1 -30.2 35.3 42.3 76.9 78 160 A E H 4 S+ 0 0 174 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.931 114.3 34.6 -59.1 -41.4 38.4 44.2 76.0 79 161 A E H 4 S+ 0 0 85 -3,-0.4 3,-0.2 1,-0.1 -2,-0.2 0.887 127.4 36.5 -80.4 -38.7 40.0 42.9 79.3 80 162 A G H >< S+ 0 0 6 -4,-2.8 3,-2.2 -6,-0.2 20,-0.7 0.593 86.3 95.4 -92.7 -10.5 38.3 39.5 79.4 81 163 A N T 3< S+ 0 0 62 -4,-2.6 22,-1.8 1,-0.3 21,-0.5 0.841 97.7 31.1 -48.3 -47.2 38.2 38.5 75.7 82 164 A N T 3 S+ 0 0 39 -4,-0.3 -35,-2.7 -3,-0.2 2,-0.4 -0.021 100.4 109.3-101.7 26.6 41.5 36.4 75.9 83 165 A K E < -b 47 0A 29 -3,-2.2 17,-2.2 -37,-0.2 2,-0.4 -0.837 44.6-169.9-108.8 142.6 41.1 35.3 79.5 84 166 A G E -bC 48 99A 0 -37,-2.4 -35,-2.7 -2,-0.4 2,-0.4 -0.980 2.8-164.6-128.6 144.1 40.3 31.9 80.8 85 167 A I E -bC 49 98A 0 13,-2.8 13,-2.3 -2,-0.4 2,-0.5 -0.980 2.2-169.5-133.9 119.7 39.4 30.9 84.4 86 168 A V E -bC 50 97A 1 -37,-2.8 -35,-3.0 -2,-0.4 2,-0.4 -0.935 9.1-165.6-109.4 124.0 39.5 27.4 85.7 87 169 A V E -bC 51 96A 0 9,-2.7 9,-1.7 -2,-0.5 2,-0.4 -0.899 7.0-173.0-110.7 138.9 38.0 26.8 89.2 88 170 A L E -bC 52 95A 3 -37,-2.4 -35,-2.4 -2,-0.4 2,-0.8 -0.989 9.2-161.6-129.6 119.5 38.4 23.7 91.3 89 171 A I E >> -bC 53 94A 5 5,-3.1 5,-1.6 -2,-0.4 4,-1.2 -0.894 9.9-164.2-101.9 103.7 36.4 23.3 94.6 90 172 A T T 45S+ 0 0 6 -37,-1.7 3,-0.3 -2,-0.8 -36,-0.2 0.866 81.9 51.6 -59.9 -42.8 38.4 20.7 96.4 91 173 A S T 45S+ 0 0 43 -37,-2.1 -1,-0.2 -38,-0.3 -36,-0.1 0.895 119.3 38.2 -65.5 -36.3 35.9 19.6 99.1 92 174 A Q T 45S- 0 0 125 -38,-0.5 -1,-0.2 -3,-0.1 -2,-0.2 0.551 99.7-134.5 -87.8 -12.2 33.2 19.1 96.3 93 175 A K T <5 + 0 0 64 -4,-1.2 2,-0.4 -3,-0.3 -3,-0.2 0.909 61.1 136.8 56.8 42.2 35.6 17.6 93.8 94 176 A E E < -C 89 0A 60 -5,-1.6 -5,-3.1 30,-0.1 2,-0.3 -0.954 32.9-174.7-126.3 138.7 34.0 19.9 91.2 95 177 A G E -C 88 0A 15 21,-0.4 2,-0.3 -2,-0.4 -32,-0.2 -0.779 5.1-179.1-125.1 171.9 35.5 22.1 88.5 96 178 A A E -C 87 0A 7 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.4 -0.963 10.4-153.8-163.4 158.4 34.3 24.6 86.0 97 179 A I E +C 86 0A 14 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.999 19.7 159.7-143.4 133.0 35.9 26.7 83.2 98 180 A T E +C 85 0A 12 -13,-2.3 -13,-2.8 -2,-0.4 2,-0.3 -0.833 6.3 140.6-140.6-178.3 34.8 30.0 81.8 99 181 A G E -C 84 0A 11 -2,-0.3 -15,-0.2 -15,-0.3 -18,-0.1 -0.984 48.8 -48.4 165.1-176.9 36.4 32.8 79.8 100 182 A G > - 0 0 5 -17,-2.2 4,-3.1 -20,-0.7 5,-0.3 -0.394 60.0-100.1 -78.5 163.8 36.1 35.4 77.1 101 183 A P H > S+ 0 0 82 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.896 122.4 51.8 -51.4 -45.6 34.8 34.5 73.6 102 184 A A H > S+ 0 0 35 -21,-0.5 4,-2.2 2,-0.2 -20,-0.2 0.934 113.5 44.1 -61.5 -43.6 38.3 34.3 72.1 103 185 A F H > S+ 0 0 0 -22,-1.8 4,-1.7 -23,-0.2 5,-0.2 0.953 116.4 46.7 -63.9 -50.2 39.5 32.0 74.9 104 186 A I H X S+ 0 0 51 -4,-3.1 4,-2.7 -23,-0.3 -2,-0.2 0.914 112.6 50.4 -56.6 -45.3 36.3 29.8 74.7 105 187 A E H < S+ 0 0 157 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.920 108.3 52.6 -61.7 -43.8 36.6 29.7 70.9 106 188 A A H < S+ 0 0 29 -4,-2.2 40,-0.2 -5,-0.3 -1,-0.2 0.848 115.5 39.6 -64.0 -34.0 40.2 28.6 71.0 107 189 A V H < S- 0 0 9 -4,-1.7 4,-0.4 -5,-0.1 -2,-0.2 0.934 100.4-143.0 -82.2 -49.0 39.6 25.7 73.4 108 190 A G X - 0 0 25 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.143 22.9 -95.1 96.3 144.4 36.3 24.4 72.0 109 191 A E H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.822 119.1 62.5 -64.0 -33.9 33.3 23.0 73.8 110 192 A N H > S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.965 112.6 33.9 -56.7 -54.5 34.5 19.4 73.4 111 193 A I H > S+ 0 0 24 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.857 116.7 55.8 -72.4 -35.8 37.7 19.9 75.4 112 194 A L H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.980 113.0 40.8 -59.5 -55.2 36.1 22.4 77.8 113 195 A D H X S+ 0 0 83 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.900 115.3 51.8 -61.7 -39.5 33.4 19.9 78.8 114 196 A A H X S+ 0 0 15 -4,-2.0 4,-1.8 -5,-0.3 5,-0.5 0.876 107.5 51.3 -64.4 -41.9 35.8 17.0 78.8 115 197 A T H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.912 114.2 43.7 -63.2 -43.1 38.3 18.7 81.1 116 198 A V H <5S+ 0 0 34 -4,-1.8 -21,-0.4 -5,-0.2 -1,-0.2 0.766 119.3 42.2 -75.0 -27.9 35.6 19.6 83.7 117 199 A S H <5S+ 0 0 76 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.656 131.6 16.6 -94.1 -13.4 33.9 16.2 83.6 118 200 A E T X>S+ 0 0 70 -4,-1.8 4,-2.0 -5,-0.2 5,-0.5 0.648 122.5 36.0-118.5 -83.7 37.1 14.1 83.6 119 201 A N H >5S+ 0 0 3 -5,-0.5 4,-1.7 1,-0.2 5,-0.4 0.875 121.1 43.4 -40.9 -55.6 40.6 15.5 84.5 120 202 A L H >5S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.940 121.8 49.2 -64.6 -46.2 36.7 15.7 89.3 122 204 A V H X5S+ 0 0 68 -4,-2.0 4,-1.4 1,-0.2 3,-0.2 0.959 114.9 40.6 -57.5 -59.0 38.4 12.4 88.7 123 205 A L H <5S+ 0 0 0 -4,-1.8 3,-1.6 -5,-0.4 -1,-0.2 0.823 103.2 58.9 -68.8 -31.0 40.8 15.4 92.7 125 207 A T H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.920 105.3 49.9 -63.0 -37.2 38.6 12.5 94.0 126 208 A D T 3<5S- 0 0 103 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.292 123.0-110.4 -82.0 11.3 41.8 10.5 94.1 127 209 A E T < 5S+ 0 0 155 -3,-1.6 2,-0.5 1,-0.1 -3,-0.2 0.825 79.1 132.7 61.8 33.8 43.5 13.4 96.0 128 210 A K >< + 0 0 88 -5,-2.7 4,-2.6 1,-0.2 5,-0.1 -0.559 15.6 154.1-113.0 66.2 45.8 14.2 93.1 129 211 A Y H > + 0 0 36 -2,-0.5 4,-2.4 1,-0.2 5,-0.3 0.872 70.0 54.0 -62.5 -39.6 45.2 17.9 93.0 130 212 A N H > S+ 0 0 43 -106,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 114.5 41.0 -62.6 -42.0 48.6 18.7 91.4 131 213 A E H > S+ 0 0 97 2,-0.2 4,-2.8 3,-0.2 5,-0.4 0.856 110.9 58.1 -75.0 -35.9 47.9 16.3 88.5 132 214 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.933 115.7 35.2 -57.6 -49.2 44.2 17.4 88.3 133 215 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 120.6 45.7 -73.8 -47.4 45.3 21.0 87.6 134 216 A Y H X S+ 0 0 72 -4,-2.5 4,-2.5 -5,-0.3 -3,-0.2 0.911 113.3 48.7 -68.5 -38.0 48.5 20.3 85.6 135 217 A S H X S+ 0 0 31 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.879 112.6 50.2 -67.5 -33.5 46.9 17.7 83.3 136 218 A S H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.4 -2,-0.2 0.905 110.1 49.3 -67.8 -41.0 43.9 20.1 82.7 137 219 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 113.2 47.3 -63.3 -44.0 46.3 22.9 81.9 138 220 A K H X S+ 0 0 100 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 112.1 50.0 -63.9 -42.2 48.1 20.6 79.5 139 221 A R H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.882 111.9 46.7 -65.2 -38.4 44.9 19.4 77.9 140 222 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.905 111.4 51.7 -71.0 -40.2 43.6 22.9 77.4 141 223 A V H X S+ 0 0 12 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.915 107.6 52.6 -59.7 -46.5 46.9 24.1 75.9 142 224 A A H <>S+ 0 0 15 -4,-2.3 5,-3.0 2,-0.2 4,-0.2 0.941 110.0 48.8 -56.0 -48.4 46.9 21.1 73.4 143 225 A A H ><5S+ 0 0 20 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.923 112.6 48.4 -57.4 -46.7 43.3 22.1 72.3 144 226 A I H 3<5S+ 0 0 15 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.926 112.5 47.3 -61.2 -43.6 44.4 25.7 71.9 145 227 A D T 3<5S- 0 0 42 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.351 113.6-117.7 -80.7 8.3 47.5 24.7 69.9 146 228 A G T < 5 + 0 0 66 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.847 66.9 144.8 58.7 34.3 45.4 22.4 67.7 147 229 A Q < - 0 0 124 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.1 -0.498 60.7 -70.0 -96.9 169.3 47.5 19.5 69.0 148 230 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.358 56.2-106.3 -60.8 135.7 46.2 15.9 69.6 149 231 A D - 0 0 72 1,-0.2 -10,-0.1 -7,-0.1 3,-0.1 -0.481 21.5-149.7 -66.4 110.1 43.9 15.7 72.7 150 232 A P - 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 0.657 38.8-134.7 -56.6 -11.0 45.9 14.0 75.4 151 233 A G - 0 0 26 -12,-0.1 -12,-0.1 2,-0.0 -33,-0.0 -0.063 20.8 -76.1 79.5 172.6 42.6 12.6 76.7 152 234 A G 0 0 34 1,-0.1 -37,-0.1 -3,-0.1 -38,-0.0 -0.356 360.0 360.0 -99.6-177.3 41.4 12.5 80.3 153 235 A P 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 -0.515 360.0 360.0 -82.9 360.0 42.4 10.2 83.3 154 ! 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 0.0 155 305 A S 0 0 115 0, 0.0 -136,-0.1 0, 0.0 -132,-0.1 0.000 360.0 360.0 360.0 360.0 49.3 30.9 95.1