==== 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 03-DEC-10 3PTJ . 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 . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 68.6 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 6 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.3 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 1 1 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 87 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -44.5 33.0 34.0 102.5 2 84 A A H > + 0 0 69 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 360.0 46.2 -53.3 -41.7 36.3 35.5 103.5 3 85 A S H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.959 112.9 47.6 -61.8 -55.5 37.9 33.2 100.9 4 86 A E H > S+ 0 0 13 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.820 116.4 46.0 -56.1 -34.8 35.2 34.0 98.2 5 87 A F H X S+ 0 0 115 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.925 112.7 47.1 -74.0 -51.8 35.8 37.7 99.0 6 88 A N H X S+ 0 0 71 -4,-3.1 4,-3.0 -5,-0.3 -2,-0.2 0.913 109.8 53.5 -57.3 -46.4 39.6 37.6 99.0 7 89 A I H < S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.7 39.1 -57.9 -39.3 39.8 35.7 95.8 8 90 A L H >< S+ 0 0 23 -4,-1.0 3,-0.7 -5,-0.3 -2,-0.2 0.882 117.2 50.5 -76.0 -39.5 37.5 38.3 94.2 9 91 A N H 3< S+ 0 0 86 -4,-3.1 2,-0.3 1,-0.2 -2,-0.2 0.818 100.1 62.1 -68.6 -37.5 39.2 41.3 95.9 10 92 A D T 3< S- 0 0 121 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 0.003 97.0-139.1 -88.5 37.3 42.7 40.4 95.1 11 93 A G < - 0 0 25 -3,-0.7 -1,-0.2 -2,-0.3 62,-0.1 0.227 48.1 -32.9 37.5-168.6 42.2 40.7 91.4 12 94 A P - 0 0 17 0, 0.0 2,-2.5 0, 0.0 3,-0.2 -0.493 61.0-110.5 -78.1 145.7 43.9 38.2 89.1 13 95 A P > - 0 0 18 0, 0.0 4,-3.4 0, 0.0 5,-0.2 -0.432 42.0-179.5 -77.1 74.9 47.3 36.6 89.9 14 96 A K T 4 S+ 0 0 151 -2,-2.5 -3,-0.0 1,-0.2 0, 0.0 0.775 77.2 28.7 -43.5 -42.3 49.1 38.5 87.0 15 97 A E T 4 S+ 0 0 153 -3,-0.2 -1,-0.2 1,-0.1 23,-0.1 0.763 129.8 36.6 -94.0 -29.1 52.5 36.9 87.7 16 98 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 -3,-0.1 21,-0.1 0.558 80.2-147.5-104.6 -12.8 51.6 33.6 89.1 17 99 A Y < + 0 0 17 -4,-3.4 33,-2.1 1,-0.1 2,-0.3 0.465 69.7 88.3 60.8 0.3 48.4 32.6 87.2 18 100 A V E -a 50 0A 11 31,-0.2 2,-0.4 -5,-0.2 33,-0.2 -0.975 51.7-169.7-136.5 144.2 47.2 30.8 90.4 19 101 A V E -a 51 0A 33 31,-2.3 33,-2.6 -2,-0.3 2,-1.2 -0.873 13.5-176.2-128.9 95.7 45.2 31.5 93.5 20 102 A D E > +a 52 0A 26 -2,-0.4 3,-2.1 31,-0.2 5,-0.2 -0.388 19.8 155.4 -91.9 56.7 45.6 28.4 95.7 21 103 A D T 3 S+ 0 0 61 -2,-1.2 32,-0.2 31,-0.7 -1,-0.2 0.774 73.7 55.3 -55.3 -28.9 43.3 29.5 98.4 22 104 A A T 3 S- 0 0 28 30,-0.5 -1,-0.3 -3,-0.3 31,-0.1 0.697 104.8-136.0 -77.7 -15.1 42.7 25.9 99.4 23 105 A G < + 0 0 54 -3,-2.1 -2,-0.1 29,-0.2 -3,-0.0 0.946 64.0 127.5 63.0 49.3 46.5 25.6 99.8 24 106 A V + 0 0 36 2,-0.1 2,-0.3 105,-0.1 106,-0.3 0.454 45.2 83.9-114.2 -2.9 46.7 22.3 98.0 25 107 A L S S- 0 0 11 -5,-0.2 2,-0.2 104,-0.1 -5,-0.0 -0.778 73.7-128.7-101.8 144.6 49.3 23.0 95.4 26 108 A S > - 0 0 46 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.492 24.2-105.6 -91.2 164.1 53.0 22.8 96.1 27 109 A R H > S+ 0 0 224 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.927 120.5 47.8 -48.9 -53.8 55.7 25.3 95.5 28 110 A V H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 110.6 49.4 -59.2 -45.4 57.1 23.3 92.6 29 111 A T H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 109.6 50.8 -65.1 -37.9 53.7 22.7 90.9 30 112 A K H X S+ 0 0 81 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.856 110.4 52.2 -64.1 -33.0 52.8 26.4 91.1 31 113 A S H X S+ 0 0 49 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.933 110.1 46.8 -66.9 -49.0 56.2 27.1 89.5 32 114 A D H X S+ 0 0 60 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.875 111.8 52.0 -59.7 -38.1 55.4 24.6 86.7 33 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.929 109.1 49.1 -64.7 -47.2 52.0 26.1 86.3 34 116 A K H X S+ 0 0 95 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.947 113.8 46.7 -58.9 -50.0 53.5 29.6 86.0 35 117 A K H X S+ 0 0 138 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.979 116.6 43.7 -56.5 -55.1 56.0 28.4 83.4 36 118 A L H X S+ 0 0 21 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.900 120.3 40.8 -55.5 -45.4 53.4 26.5 81.4 37 119 A L H X S+ 0 0 0 -4,-3.4 4,-2.2 2,-0.2 11,-0.2 0.831 110.1 52.7 -80.3 -33.1 50.8 29.3 81.5 38 120 A S H X S+ 0 0 45 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.862 109.5 54.1 -70.2 -29.9 53.0 32.4 81.0 39 121 A D H X S+ 0 0 70 -4,-1.7 4,-2.3 -5,-0.4 5,-0.2 0.923 106.5 51.5 -68.0 -38.6 54.3 30.5 77.9 40 122 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 6,-0.9 0.909 111.9 46.0 -63.3 -40.0 50.6 30.1 76.8 41 123 A E H X S+ 0 0 61 -4,-2.2 4,-1.9 4,-0.2 -2,-0.2 0.921 112.1 50.7 -68.3 -42.3 50.0 33.8 77.2 42 124 A Y H < S+ 0 0 195 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.892 120.1 35.8 -58.3 -45.3 53.3 34.8 75.4 43 125 A R H < S+ 0 0 90 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.813 135.3 15.8 -81.2 -36.0 52.4 32.6 72.4 44 126 A K H < S- 0 0 91 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.387 89.1-121.7-124.8 0.8 48.7 32.8 72.1 45 127 A K < + 0 0 147 -4,-1.9 2,-0.5 -5,-0.4 -4,-0.2 0.680 67.9 138.9 63.8 15.9 47.6 35.8 74.1 46 128 A X - 0 0 22 -6,-0.9 2,-0.6 -9,-0.1 -1,-0.3 -0.831 41.1-156.2 -96.6 126.5 45.4 33.5 76.1 47 129 A R E - b 0 83A 10 35,-3.3 37,-2.3 -2,-0.5 2,-0.5 -0.923 12.2-175.8-108.6 116.3 45.3 34.1 79.8 48 130 A L E - b 0 84A 0 -2,-0.6 2,-0.3 35,-0.2 37,-0.2 -0.967 1.4-172.0-118.3 121.7 44.4 31.1 81.9 49 131 A N E - b 0 85A 0 35,-3.1 37,-2.9 -2,-0.5 2,-0.4 -0.867 8.2-154.2-113.9 146.1 44.0 31.3 85.6 50 132 A F E -ab 18 86A 3 -33,-2.1 -31,-2.3 -2,-0.3 2,-0.4 -0.957 9.2-172.8-119.8 138.0 43.4 28.5 88.2 51 133 A I E -ab 19 87A 1 35,-2.6 37,-2.7 -2,-0.4 2,-0.4 -0.996 6.3-164.4-130.7 131.4 41.7 28.9 91.5 52 134 A T E +ab 20 88A 0 -33,-2.6 -31,-0.7 -2,-0.4 -30,-0.5 -0.939 15.1 170.5-112.7 139.3 41.4 26.4 94.4 53 135 A V E - b 0 89A 0 35,-2.6 37,-1.9 -2,-0.4 38,-0.3 -0.987 33.9-138.5-146.6 141.2 38.9 26.9 97.2 54 136 A R S S- 0 0 136 -2,-0.3 37,-1.6 1,-0.2 38,-0.4 0.933 79.0 -23.7 -66.1 -47.5 37.8 24.6 100.0 55 137 A K - 0 0 108 36,-0.1 2,-0.4 35,-0.1 -1,-0.2 -0.995 56.9-112.7-163.8 159.1 34.1 25.5 99.7 56 138 A L - 0 0 24 -2,-0.3 6,-0.0 1,-0.1 33,-0.0 -0.821 11.7-155.6-100.1 134.7 31.5 28.0 98.7 57 139 A T S S+ 0 0 86 -2,-0.4 -1,-0.1 2,-0.0 2,-0.0 0.869 77.3 76.1 -71.5 -39.0 29.4 29.8 101.3 58 140 A S S S- 0 0 58 1,-0.1 -2,-0.1 3,-0.1 0, 0.0 -0.253 91.9-119.9 -70.5 159.3 26.7 30.5 98.8 59 141 A K S S+ 0 0 223 2,-0.0 -1,-0.1 -2,-0.0 -3,-0.0 0.625 86.4 114.2 -72.1 -10.4 24.2 27.8 97.6 60 142 A A - 0 0 25 1,-0.1 -4,-0.1 2,-0.1 2,-0.1 -0.237 64.2-129.0 -63.5 146.8 25.9 28.7 94.3 61 143 A D > - 0 0 68 1,-0.0 4,-1.9 4,-0.0 5,-0.2 -0.157 30.1 -87.9 -90.0-176.8 28.0 26.3 92.4 62 144 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 34,-0.2 0.864 124.0 51.4 -60.4 -42.3 31.5 26.4 90.9 63 145 A F H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 107.3 54.1 -63.4 -46.2 30.3 27.8 87.5 64 146 A E H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.942 113.0 41.0 -52.9 -52.8 28.4 30.5 89.2 65 147 A Y H X S+ 0 0 4 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.860 111.1 57.2 -65.2 -37.1 31.5 31.8 91.2 66 148 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.907 109.4 46.0 -60.2 -43.0 33.8 31.3 88.2 67 149 A D H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.775 109.9 53.6 -70.2 -29.3 31.7 33.6 86.2 68 150 A Q H X S+ 0 0 104 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 110.9 47.0 -71.1 -41.8 31.5 36.0 89.1 69 151 A V H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.4 0.905 110.4 52.8 -63.1 -47.0 35.4 36.0 89.1 70 152 A L H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.955 111.6 45.5 -53.9 -54.2 35.6 36.5 85.3 71 153 A E H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.5 46.4 -59.2 -38.7 33.3 39.5 85.5 72 154 A K H < S+ 0 0 112 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.947 117.7 38.8 -70.7 -49.6 35.2 40.9 88.5 73 155 A W H < S+ 0 0 16 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.840 131.1 28.0 -71.8 -34.0 38.8 40.5 87.2 74 156 A Y S < S+ 0 0 23 -4,-2.6 -1,-0.3 -5,-0.4 6,-0.2 -0.612 70.2 178.4-130.4 73.2 38.0 41.4 83.6 75 157 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.389 62.0 54.9 -57.8 1.8 35.0 43.8 83.7 76 158 A S S > S- 0 0 35 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.968 82.4-118.8-139.2 159.1 34.9 44.3 79.9 77 159 A X H > S+ 0 0 105 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.952 116.0 50.8 -53.2 -54.1 34.7 42.2 76.7 78 160 A E H 4 S+ 0 0 149 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.884 114.3 43.7 -53.1 -44.4 38.1 43.5 75.6 79 161 A E H 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.839 124.5 33.0 -72.0 -34.5 39.7 42.6 78.9 80 162 A G H >< S+ 0 0 7 -4,-2.5 3,-2.3 -6,-0.2 20,-0.9 0.582 86.2 96.3-102.2 -10.4 38.1 39.2 79.3 81 163 A N T 3< S+ 0 0 45 -4,-2.8 22,-2.0 1,-0.3 21,-0.4 0.836 97.1 34.0 -45.4 -44.7 37.8 37.9 75.7 82 164 A N T 3 S+ 0 0 41 -4,-0.3 -35,-3.3 20,-0.2 2,-0.3 -0.060 99.4 107.5-105.3 26.5 41.0 35.9 75.9 83 165 A K E < -b 47 0A 36 -3,-2.3 17,-1.9 -37,-0.2 2,-0.4 -0.806 46.0-167.6-109.0 148.1 40.8 34.9 79.6 84 166 A G E -bC 48 99A 0 -37,-2.3 -35,-3.1 -2,-0.3 2,-0.5 -1.000 3.1-162.6-134.3 135.8 40.0 31.6 81.1 85 167 A I E -bC 49 98A 0 13,-2.2 13,-2.0 -2,-0.4 2,-0.5 -0.982 2.7-169.7-122.6 123.2 39.1 30.9 84.7 86 168 A V E -bC 50 97A 0 -37,-2.9 -35,-2.6 -2,-0.5 2,-0.4 -0.947 7.6-167.4-112.9 122.1 39.3 27.4 86.2 87 169 A V E -bC 51 96A 0 9,-2.3 9,-1.8 -2,-0.5 2,-0.4 -0.928 3.4-169.3-113.3 136.1 37.8 27.0 89.7 88 170 A L E -bC 52 95A 2 -37,-2.7 -35,-2.6 -2,-0.4 2,-0.7 -0.989 9.5-159.8-127.5 124.7 38.3 23.9 91.8 89 171 A I E >> -bC 53 94A 6 5,-3.5 5,-1.6 -2,-0.4 4,-1.0 -0.914 7.6-168.2-103.1 108.8 36.4 23.2 95.0 90 172 A T T 45S+ 0 0 7 -37,-1.9 -36,-0.2 -2,-0.7 -1,-0.2 0.847 82.4 51.8 -69.3 -38.8 38.5 20.7 97.0 91 173 A S T 45S+ 0 0 43 -37,-1.6 -1,-0.2 -38,-0.3 -36,-0.1 0.815 121.0 36.5 -71.3 -28.3 35.9 19.7 99.6 92 174 A Q T 45S- 0 0 125 -38,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.565 98.0-133.5 -98.9 -7.2 33.4 18.9 96.8 93 175 A K T <5 + 0 0 60 -4,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.874 62.8 138.6 58.1 31.7 35.8 17.5 94.2 94 176 A E E < -C 89 0A 69 -5,-1.6 -5,-3.5 30,-0.1 2,-0.3 -0.876 31.8-175.8-116.2 143.6 34.0 19.9 91.8 95 177 A G E -C 88 0A 10 21,-0.4 2,-0.3 -2,-0.4 -7,-0.2 -0.865 7.4-172.9-134.1 166.6 35.3 22.0 89.1 96 178 A A E -C 87 0A 6 -9,-1.8 -9,-2.3 -2,-0.3 2,-0.4 -0.980 6.8-160.1-155.1 155.5 34.3 24.6 86.5 97 179 A I E +C 86 0A 15 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.990 20.7 153.5-142.1 132.4 35.7 26.5 83.6 98 180 A T E +C 85 0A 11 -13,-2.0 -13,-2.2 -2,-0.4 2,-0.3 -0.800 8.2 141.7-142.2-176.1 34.5 29.8 82.1 99 181 A G E -C 84 0A 10 -15,-0.3 -15,-0.2 -2,-0.2 -18,-0.1 -0.952 52.1 -45.8 159.6-178.1 36.2 32.6 80.1 100 182 A G > - 0 0 5 -17,-1.9 4,-2.8 -20,-0.9 5,-0.2 -0.298 60.8-100.0 -75.1 165.7 35.7 35.0 77.2 101 183 A P H > S+ 0 0 77 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.908 121.8 51.4 -53.8 -45.1 34.4 33.8 73.8 102 184 A A H > S+ 0 0 25 -21,-0.4 4,-3.1 2,-0.2 5,-0.2 0.956 112.8 45.2 -59.5 -48.4 37.8 33.6 72.2 103 185 A F H > S+ 0 0 0 -22,-2.0 4,-1.8 1,-0.2 5,-0.2 0.959 115.5 47.6 -55.8 -53.4 39.1 31.5 75.0 104 186 A I H X S+ 0 0 38 -4,-2.8 4,-3.1 -23,-0.3 -2,-0.2 0.875 115.4 44.7 -53.6 -46.2 36.0 29.3 75.0 105 187 A E H < S+ 0 0 151 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.5 54.3 -68.8 -42.3 36.1 28.9 71.1 106 188 A A H < S+ 0 0 21 -4,-3.1 40,-0.3 -5,-0.3 -1,-0.2 0.807 118.4 35.2 -63.1 -30.3 39.9 28.3 71.2 107 189 A V H < S- 0 0 10 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.907 102.9-145.4 -88.6 -48.2 39.4 25.4 73.7 108 190 A G X - 0 0 24 -4,-3.1 4,-1.9 -5,-0.2 -3,-0.1 0.106 23.7 -92.9 93.0 149.7 36.1 24.1 72.5 109 191 A E H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.770 117.2 65.6 -66.5 -32.9 33.2 22.6 74.5 110 192 A N H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.984 113.7 29.1 -55.6 -61.7 34.4 19.0 74.1 111 193 A I H > S+ 0 0 16 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.864 113.6 68.8 -67.6 -36.0 37.6 19.5 76.1 112 194 A L H X S+ 0 0 10 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.959 113.6 24.9 -48.6 -66.2 36.0 22.2 78.2 113 195 A D H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.707 116.2 64.5 -79.0 -14.3 33.6 19.9 80.0 114 196 A A H X S+ 0 0 7 -4,-1.5 4,-1.7 -5,-0.4 5,-0.4 0.956 106.4 45.0 -65.8 -45.7 35.8 16.9 79.5 115 197 A T H <>S+ 0 0 0 -4,-3.1 5,-2.0 1,-0.2 -2,-0.2 0.938 116.1 48.4 -58.0 -48.5 38.4 18.6 81.7 116 198 A V H <5S+ 0 0 37 -4,-1.6 -21,-0.4 -5,-0.3 -1,-0.2 0.808 118.3 37.1 -63.5 -36.3 35.6 19.6 84.2 117 199 A S H <5S+ 0 0 75 -4,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.574 131.8 23.7 -96.3 -8.2 34.0 16.1 84.4 118 200 A E T X>S+ 0 0 70 -4,-1.7 4,-2.6 -3,-0.2 5,-0.6 0.658 120.3 34.3-115.5 -85.2 37.3 14.1 84.3 119 201 A N H >5S+ 0 0 3 -5,-0.4 4,-1.8 3,-0.2 5,-0.4 0.869 122.7 41.8 -43.7 -55.1 40.7 15.6 85.3 120 202 A L H >5S+ 0 0 28 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.926 122.5 46.5 -64.0 -43.6 36.8 15.6 89.9 122 204 A V H X5S+ 0 0 72 -4,-2.6 4,-1.2 2,-0.2 -3,-0.2 0.947 117.5 40.0 -65.1 -50.9 38.6 12.4 89.3 123 205 A L H <5S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.4 -1,-0.2 0.818 103.4 60.2 -68.7 -29.7 40.9 15.6 93.3 125 207 A T H 3<5S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.909 105.0 49.3 -65.3 -35.8 38.9 12.7 94.6 126 208 A D T 3<5S- 0 0 100 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.310 122.3-111.7 -81.7 5.5 42.1 10.7 94.8 127 209 A E T < 5S+ 0 0 152 -3,-1.7 2,-0.7 1,-0.1 -3,-0.2 0.669 78.9 130.8 70.4 22.0 43.6 13.7 96.6 128 210 A K >< + 0 0 90 -5,-2.7 4,-2.9 1,-0.2 5,-0.2 -0.457 18.4 157.1-104.4 61.1 46.0 14.5 93.8 129 211 A Y H > S+ 0 0 34 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.835 71.0 53.0 -49.5 -44.8 45.2 18.3 93.5 130 212 A N H > S+ 0 0 47 -106,-0.3 4,-2.9 2,-0.2 5,-0.3 0.912 114.8 39.8 -62.6 -48.4 48.6 19.1 91.8 131 213 A E H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.868 112.7 58.4 -72.8 -29.2 48.1 16.6 89.1 132 214 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.951 116.0 34.5 -58.1 -49.6 44.4 17.5 89.0 133 215 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.914 119.1 47.7 -75.5 -47.7 45.4 21.1 88.2 134 216 A Y H X S+ 0 0 65 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.929 112.8 48.1 -63.5 -44.2 48.5 20.6 86.1 135 217 A S H X S+ 0 0 23 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.866 112.0 51.2 -65.4 -33.9 46.9 17.9 83.8 136 218 A S H X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.4 -1,-0.2 0.908 112.0 46.0 -67.9 -42.2 43.9 20.2 83.3 137 219 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.2 0.951 113.4 50.1 -63.5 -45.6 46.2 23.1 82.4 138 220 A K H X S+ 0 0 104 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.846 112.2 47.4 -60.2 -36.5 48.1 20.8 80.1 139 221 A R H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.734 112.9 48.2 -78.0 -28.6 44.9 19.6 78.4 140 222 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.2 -2,-0.2 0.865 110.9 50.9 -79.6 -38.2 43.5 23.0 78.0 141 223 A V H X S+ 0 0 11 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.921 108.0 52.9 -64.7 -41.1 46.8 24.2 76.5 142 224 A A H <>S+ 0 0 14 -4,-1.9 5,-2.9 1,-0.2 -1,-0.2 0.954 109.7 49.1 -58.3 -48.7 46.8 21.3 74.1 143 225 A A H ><5S+ 0 0 20 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.917 111.1 48.6 -56.6 -48.0 43.3 22.2 72.9 144 226 A I H 3<5S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.883 112.2 48.8 -59.8 -40.9 44.2 25.9 72.4 145 227 A D T 3<5S- 0 0 40 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.358 113.9-120.4 -80.4 4.4 47.3 25.0 70.4 146 228 A G T < 5 + 0 0 66 -3,-1.5 -3,-0.2 -40,-0.3 -2,-0.1 0.866 65.2 144.8 56.9 37.8 45.2 22.6 68.3 147 229 A Q < - 0 0 131 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.0 -0.495 59.2 -68.6 -98.5 169.9 47.4 19.7 69.5 148 230 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.320 56.2-104.5 -62.4 139.6 46.2 16.1 70.1 149 231 A D - 0 0 73 1,-0.2 -10,-0.1 -7,-0.1 3,-0.1 -0.466 21.8-155.0 -67.1 116.7 44.0 15.6 73.2 150 232 A P - 0 0 85 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.826 39.4-137.5 -61.9 -25.0 46.1 14.1 76.0 151 233 A G - 0 0 25 -12,-0.1 -12,-0.0 -3,-0.0 -33,-0.0 -0.229 23.4 -60.2 92.3 172.6 42.8 12.7 77.4 152 234 A G 0 0 33 1,-0.2 -37,-0.1 -2,-0.1 -38,-0.0 -0.225 360.0 360.0 -86.9 177.6 41.6 12.5 81.0 153 235 A P 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -31,-0.0 -0.272 360.0 360.0 -60.1 360.0 43.0 10.8 84.1