==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-FEB-10 3LYE . COMPND 2 MOLECULE: OXALOACETATE ACETYL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPHONECTRIA PARASITICA; . AUTHOR O.HERZBERG,C.CHEN . 285 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 2 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 69 A E > 0 0 180 0, 0.0 3,-0.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -55.0 24.0 -14.2 -40.4 2 70 A P T 3 + 0 0 57 0, 0.0 78,-0.2 0, 0.0 0, 0.0 -0.433 360.0 19.2 -71.8 157.1 21.2 -11.7 -41.3 3 71 A F T 3 S+ 0 0 125 76,-2.3 3,-0.3 1,-0.1 77,-0.1 0.803 87.0 130.1 57.8 34.3 19.0 -10.5 -38.3 4 72 A S <> + 0 0 26 -3,-0.8 4,-2.4 75,-0.6 3,-0.2 0.014 13.6 127.6-108.4 30.4 21.7 -11.5 -35.9 5 73 A G H > S+ 0 0 9 104,-0.3 4,-2.8 1,-0.2 5,-0.3 0.862 72.3 54.4 -54.9 -39.9 22.1 -8.4 -33.8 6 74 A A H > S+ 0 0 12 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.937 110.1 46.5 -61.3 -47.1 21.7 -10.1 -30.5 7 75 A K H > S+ 0 0 138 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 113.8 50.5 -60.2 -41.7 24.5 -12.6 -31.3 8 76 A K H X S+ 0 0 61 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 111.6 45.5 -65.1 -42.7 26.7 -9.7 -32.5 9 77 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.916 111.7 52.4 -67.6 -40.7 26.1 -7.6 -29.4 10 78 A R H X S+ 0 0 27 -4,-2.5 4,-2.9 -5,-0.3 5,-0.4 0.892 107.6 53.3 -62.7 -37.4 26.7 -10.6 -27.1 11 79 A H H X S+ 0 0 94 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.931 108.8 48.7 -62.9 -45.6 30.0 -11.2 -29.0 12 80 A L H X S+ 0 0 28 -4,-2.0 4,-0.7 1,-0.2 6,-0.3 0.921 115.7 45.4 -60.2 -41.3 31.2 -7.6 -28.4 13 81 A L H < S+ 0 0 14 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.914 124.2 29.1 -69.2 -43.0 30.2 -8.0 -24.7 14 82 A E H < S+ 0 0 114 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.813 125.3 40.3 -90.2 -31.4 31.8 -11.4 -24.0 15 83 A N H < S+ 0 0 106 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.362 113.7 44.5-104.3 7.0 34.6 -11.6 -26.4 16 84 A T < - 0 0 25 -4,-0.7 0, 0.0 -5,-0.3 0, 0.0 -0.915 60.4-143.9-141.7 164.8 36.0 -8.1 -26.3 17 85 A D + 0 0 138 -2,-0.3 -4,-0.1 2,-0.1 -5,-0.1 0.145 59.4 128.9-113.3 16.3 36.9 -5.5 -23.6 18 86 A E - 0 0 92 -6,-0.3 2,-0.7 1,-0.1 -2,-0.1 -0.283 66.9-114.9 -76.5 154.9 35.8 -2.5 -25.7 19 87 A L - 0 0 16 210,-0.1 2,-0.8 2,-0.0 210,-0.2 -0.842 32.0-138.0 -85.3 119.2 33.5 0.2 -24.5 20 88 A I E -a 229 0A 5 208,-2.7 210,-2.6 -2,-0.7 2,-0.6 -0.731 16.9-154.3 -86.1 109.8 30.5 -0.3 -26.9 21 89 A V E -a 230 0A 39 -2,-0.8 20,-0.6 208,-0.2 19,-0.3 -0.767 13.9-177.1 -92.3 121.0 29.4 3.3 -27.9 22 90 A C E -a 231 0A 0 208,-2.8 210,-2.1 -2,-0.6 20,-0.2 -0.901 14.9-148.4-124.6 105.0 25.7 3.6 -28.9 23 91 A P E -a 232 0A 13 0, 0.0 20,-2.4 0, 0.0 2,-0.6 -0.437 28.2-110.9 -70.9 142.7 24.3 6.8 -30.1 24 92 A G E +c 43 0B 2 208,-1.6 212,-0.6 18,-0.2 2,-0.3 -0.658 42.5 178.9 -77.1 119.5 20.7 7.4 -29.2 25 93 A V E -c 44 0B 0 18,-3.3 20,-1.9 -2,-0.6 24,-0.2 -0.804 17.8-179.9-116.5 159.6 18.6 7.3 -32.4 26 94 A Y + 0 0 26 -2,-0.3 2,-0.3 1,-0.2 27,-0.2 0.423 61.2 14.1-145.2 0.3 14.8 7.7 -32.7 27 95 A D S > S- 0 0 35 25,-0.1 4,-2.2 1,-0.1 -1,-0.2 -0.903 87.9 -79.5-162.7-175.6 13.7 7.4 -36.3 28 96 A G H > S+ 0 0 21 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.897 122.5 49.4 -69.7 -38.2 14.9 6.2 -39.7 29 97 A L H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.944 113.3 44.9 -66.5 -49.7 16.9 9.3 -40.5 30 98 A S H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 116.6 47.3 -61.7 -42.9 18.8 9.4 -37.2 31 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 111.5 49.7 -64.2 -44.6 19.5 5.6 -37.4 32 100 A R H X S+ 0 0 40 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.859 109.9 52.6 -63.0 -33.7 20.6 5.8 -41.1 33 101 A T H X S+ 0 0 52 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.926 108.3 48.8 -68.9 -44.4 23.0 8.6 -40.2 34 102 A A H <>S+ 0 0 7 -4,-2.2 5,-1.9 1,-0.2 4,-0.3 0.894 113.1 49.7 -60.2 -37.5 24.6 6.7 -37.3 35 103 A M H ><5S+ 0 0 39 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.926 106.2 54.5 -66.6 -44.4 24.9 3.7 -39.8 36 104 A E H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 108.4 51.2 -56.7 -36.6 26.5 5.9 -42.4 37 105 A L T 3<5S- 0 0 116 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.473 116.6-113.1 -84.5 -2.2 29.1 7.0 -39.9 38 106 A G T < 5 + 0 0 39 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.673 47.5 172.1 81.9 18.5 30.0 3.4 -38.9 39 107 A F < - 0 0 74 -5,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.365 29.4-141.9 -60.0 142.9 28.8 3.2 -35.3 40 108 A K S S+ 0 0 149 -19,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.550 80.2 13.7 -86.1 -11.9 29.0 -0.4 -34.1 41 109 A S - 0 0 0 -20,-0.6 2,-0.3 41,-0.2 43,-0.2 -0.956 69.0-147.5-160.3 149.6 25.8 -0.4 -32.1 42 110 A L E - d 0 84B 5 41,-2.6 43,-2.7 -2,-0.3 2,-0.4 -0.861 5.3-146.3-121.4 157.8 22.8 1.9 -31.9 43 111 A Y E -cd 24 85B 5 -20,-2.4 -18,-3.3 -2,-0.3 2,-0.7 -0.991 8.8-148.9-126.1 123.3 20.5 2.8 -29.0 44 112 A M E -cd 25 86B 0 41,-2.8 43,-2.0 -2,-0.4 -18,-0.2 -0.833 21.0-143.7 -94.5 117.7 16.8 3.5 -29.6 45 113 A T > - 0 0 10 -20,-1.9 4,-1.7 -2,-0.7 5,-0.1 -0.454 12.5-147.2 -82.6 147.9 15.5 6.0 -27.1 46 114 A G H > S+ 0 0 2 2,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.903 101.4 48.8 -76.6 -44.9 12.1 6.0 -25.6 47 115 A A H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 114.4 47.1 -62.2 -40.4 11.8 9.8 -25.3 48 116 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.900 110.6 50.6 -69.6 -42.7 12.9 10.1 -28.9 49 117 A T H X>S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.6 0.937 114.0 46.7 -59.0 -43.1 10.5 7.5 -30.1 50 118 A T H X>S+ 0 0 3 -4,-2.5 6,-1.5 1,-0.2 4,-1.4 0.929 114.5 45.4 -65.3 -46.4 7.7 9.3 -28.2 51 119 A A H X5S+ 0 0 38 -4,-2.5 4,-0.6 4,-0.2 -1,-0.2 0.913 122.2 36.1 -64.3 -44.1 8.6 12.7 -29.5 52 120 A S H <5S+ 0 0 53 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.934 125.5 33.9 -78.7 -49.4 9.0 11.6 -33.1 53 121 A R H <5S+ 0 0 103 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.802 137.7 18.9 -77.1 -29.0 6.4 9.0 -33.6 54 122 A L H < - 0 0 129 -2,-0.3 4,-2.3 28,-0.0 5,-0.3 -0.471 44.6 -69.2-118.5-169.8 3.3 1.6 -25.4 64 132 A L H > S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.900 127.9 54.2 -53.6 -45.4 4.5 -1.7 -26.7 65 133 A H H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 111.1 44.9 -57.2 -47.0 3.2 -1.2 -30.2 66 134 A D H > S+ 0 0 25 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 116.7 45.1 -62.3 -44.5 5.0 2.1 -30.7 67 135 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.932 114.7 46.0 -68.0 -45.4 8.2 0.8 -29.3 68 136 A R H X S+ 0 0 59 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.913 111.6 53.0 -66.4 -41.6 8.3 -2.4 -31.1 69 137 A D H X S+ 0 0 50 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.2 0.927 112.6 43.4 -61.0 -42.6 7.3 -0.8 -34.4 70 138 A N H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.913 116.8 46.7 -69.2 -39.5 10.2 1.7 -34.1 71 139 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.890 110.4 51.9 -68.6 -39.6 12.7 -0.9 -33.0 72 140 A D H X S+ 0 0 62 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.917 112.8 47.4 -61.9 -43.1 11.7 -3.4 -35.7 73 141 A M H < S+ 0 0 61 -4,-1.9 4,-0.4 -5,-0.3 3,-0.3 0.969 116.5 41.9 -63.3 -51.1 12.1 -0.6 -38.3 74 142 A I H >< S+ 0 0 5 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.923 111.2 52.6 -66.6 -45.3 15.5 0.5 -37.0 75 143 A A H 3< S+ 0 0 16 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.773 113.4 44.7 -63.5 -24.6 17.1 -2.8 -36.3 76 144 A N T 3< S+ 0 0 44 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.277 72.4 105.1-106.9 8.9 16.4 -4.1 -39.8 77 145 A L S < S+ 0 0 34 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.882 102.5 22.2 -53.5 -40.9 17.3 -1.2 -42.0 78 146 A D S > S- 0 0 57 -4,-0.3 3,-2.2 -3,-0.3 -1,-0.3 -0.970 75.4-155.5-126.8 110.6 20.3 -3.3 -42.8 79 147 A P T 3 S+ 0 0 44 0, 0.0 -76,-2.3 0, 0.0 -75,-0.6 0.744 101.3 41.3 -57.4 -20.7 19.8 -7.1 -42.1 80 148 A F T 3 S+ 0 0 119 -78,-0.2 -4,-0.1 -77,-0.1 -3,-0.0 0.176 101.4 107.9-111.8 19.3 23.6 -7.3 -41.8 81 149 A G S < S- 0 0 13 -3,-2.2 -77,-0.1 -6,-0.2 -41,-0.0 0.111 74.2 -51.0 -88.5-167.0 24.0 -4.1 -39.8 82 150 A P - 0 0 33 0, 0.0 -41,-0.2 0, 0.0 -1,-0.2 -0.347 60.5 -99.5 -69.8 146.6 24.8 -3.0 -36.3 83 151 A P - 0 0 6 0, 0.0 -41,-2.6 0, 0.0 2,-0.5 -0.283 32.5-138.3 -63.6 150.7 23.0 -4.3 -33.3 84 152 A L E -d 42 0B 2 25,-0.4 27,-2.0 -43,-0.2 28,-1.4 -0.946 10.3-163.4-114.8 123.0 20.3 -2.3 -31.7 85 153 A I E -de 43 112B 0 -43,-2.7 -41,-2.8 -2,-0.5 2,-0.4 -0.931 21.8-166.9 -97.6 131.3 19.8 -1.8 -27.9 86 154 A A E -de 44 113B 0 26,-2.4 28,-1.1 -2,-0.5 -41,-0.2 -0.938 25.2-112.7-125.6 144.1 16.2 -0.5 -27.3 87 155 A D E + e 0 114B 8 -43,-2.0 28,-0.1 -2,-0.4 25,-0.0 -0.511 28.2 179.2 -64.1 135.3 14.5 1.0 -24.3 88 156 A M > - 0 0 0 26,-2.1 3,-2.3 1,-0.3 4,-0.2 0.124 21.2-158.3-121.6 13.2 11.8 -1.4 -23.0 89 157 A D T 3 - 0 0 29 1,-0.3 27,-2.4 25,-0.2 -1,-0.3 -0.199 66.4 -28.0 49.0-125.4 10.8 0.9 -20.1 90 158 A T T 3 S- 0 0 9 25,-0.2 3,-0.3 30,-0.1 -1,-0.3 0.287 96.3 -92.9-103.6 9.5 9.0 -1.3 -17.5 91 159 A G < - 0 0 0 -3,-2.3 10,-0.3 1,-0.2 -2,-0.1 0.512 56.9 -94.0 93.1 -0.3 7.7 -3.9 -20.0 92 160 A Y S S- 0 0 42 -4,-0.2 2,-0.3 1,-0.1 -28,-0.2 0.642 94.0 -8.7 66.9 22.9 4.4 -2.1 -20.5 93 161 A G S S- 0 0 14 -3,-0.3 -1,-0.1 3,-0.0 5,-0.0 -0.988 102.7 -29.2 157.1-157.9 2.4 -4.1 -17.9 94 162 A G S >> S- 0 0 42 -2,-0.3 4,-2.2 3,-0.1 3,-1.0 -0.032 85.5 -69.0 -75.9-173.0 2.7 -7.1 -15.6 95 163 A P H 3> S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.799 132.5 60.8 -53.5 -34.1 4.9 -10.1 -16.4 96 164 A I H 3> S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.912 111.2 40.9 -60.2 -40.5 2.7 -11.3 -19.2 97 165 A M H <> S+ 0 0 53 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.840 111.2 55.5 -75.6 -35.5 3.4 -8.0 -20.9 98 166 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.943 112.0 44.8 -59.6 -49.6 7.1 -8.0 -20.0 99 167 A A H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.923 112.0 51.6 -59.9 -45.0 7.4 -11.4 -21.6 100 168 A R H X S+ 0 0 118 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.912 110.1 50.5 -59.0 -42.7 5.4 -10.3 -24.7 101 169 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 -10,-0.3 5,-0.2 0.937 111.9 45.6 -61.9 -49.1 7.7 -7.2 -25.0 102 170 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.924 113.9 49.7 -61.9 -44.4 10.9 -9.3 -24.8 103 171 A E H X S+ 0 0 66 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.914 113.1 46.3 -60.0 -46.7 9.5 -11.9 -27.3 104 172 A H H X S+ 0 0 12 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.900 112.9 49.3 -63.6 -40.4 8.5 -9.2 -29.8 105 173 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 -2,-0.2 0.938 112.8 48.1 -63.6 -47.1 11.8 -7.4 -29.5 106 174 A I H ><5S+ 0 0 30 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.941 111.7 48.8 -58.0 -49.3 13.6 -10.7 -30.0 107 175 A R H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 108.1 56.8 -57.8 -34.8 11.4 -11.6 -33.1 108 176 A S T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.259 120.2-107.2 -84.0 9.4 12.1 -8.1 -34.4 109 177 A G T < 5 + 0 0 14 -3,-1.7 -25,-0.4 1,-0.2 -104,-0.3 0.608 62.3 158.8 77.0 13.0 15.9 -8.6 -34.4 110 178 A V < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -104,-0.2 -0.459 33.1-150.4 -72.1 137.9 16.5 -6.3 -31.5 111 179 A A - 0 0 0 -27,-2.0 39,-2.5 1,-0.3 2,-0.3 0.806 63.6 -27.3 -79.7 -33.3 19.9 -7.1 -29.8 112 180 A G E -ef 85 150B 0 -28,-1.4 -26,-2.4 37,-0.2 2,-0.3 -0.974 54.8-155.2-170.5 172.9 19.1 -6.1 -26.3 113 181 A A E -ef 86 151B 0 37,-2.0 39,-3.0 -2,-0.3 2,-0.4 -0.988 19.0-118.8-160.9 154.9 17.0 -3.8 -24.1 114 182 A H E -ef 87 152B 0 -28,-1.1 -26,-2.1 -2,-0.3 2,-0.4 -0.871 22.9-167.5-104.2 135.8 16.9 -2.1 -20.7 115 183 A L E - f 0 153B 0 37,-2.5 39,-2.7 -2,-0.4 -25,-0.2 -0.989 14.0-158.6-126.0 123.9 14.1 -2.9 -18.2 116 184 A E - 0 0 11 -27,-2.4 39,-0.2 -2,-0.4 18,-0.0 -0.419 28.2-126.2-108.5 173.1 13.6 -0.7 -15.1 117 185 A D + 0 0 0 37,-0.4 9,-2.8 -2,-0.1 38,-0.1 0.180 65.0 122.8 -99.8 12.6 12.2 -0.6 -11.7 118 186 A Q B S-I 125 0C 48 7,-0.2 7,-0.2 1,-0.1 2,-0.1 -0.281 73.0 -94.9 -74.0 163.1 10.0 2.5 -12.1 119 187 A I - 0 0 62 5,-1.4 -1,-0.1 1,-0.1 5,-0.1 -0.465 29.4-139.6 -70.9 151.9 6.3 2.5 -11.5 120 188 A L 0 0 85 1,-0.2 -1,-0.1 -2,-0.1 -30,-0.1 0.797 360.0 360.0 -84.5 -28.7 4.4 2.0 -14.7 121 189 A T 0 0 150 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.647 360.0 360.0 -69.9 360.0 1.7 4.5 -14.1 122 ! 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 0.0 123 198 A K 0 0 97 0, 0.0 37,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 112.3 11.2 9.4 -9.3 124 199 A K - 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0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.270 45.3 -95.9 -68.7 156.5 27.8 15.1 -14.9 216 291 A L - 0 0 130 -8,-0.1 2,-0.4 -5,-0.0 -27,-0.1 -0.542 42.2-179.4 -76.2 127.4 29.6 15.0 -18.2 217 292 A I - 0 0 11 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.999 17.7-140.5-127.7 123.8 31.6 11.8 -18.7 218 293 A T > - 0 0 67 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.379 26.2-108.9 -80.4 167.4 33.6 11.4 -21.9 219 294 A V H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.935 121.4 50.8 -60.2 -44.7 33.9 8.1 -23.8 220 295 A E H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.4 47.9 -60.4 -42.3 37.6 7.9 -22.8 221 296 A E H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 110.6 50.0 -64.7 -44.6 36.7 8.5 -19.1 222 297 A A H X>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 4,-0.7 0.897 110.4 51.7 -62.3 -37.7 33.8 5.9 -19.1 223 298 A K H ><5S+ 0 0 105 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.920 110.0 47.7 -65.1 -43.7 36.2 3.3 -20.7 224 299 A A H 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 106.1 58.6 -66.4 -31.2 38.8 3.9 -18.0 225 300 A M H 3<5S- 0 0 33 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.670 120.5-111.0 -69.2 -20.8 36.1 3.7 -15.3 226 301 A G T <<5 + 0 0 37 -3,-0.8 -22,-0.3 -4,-0.7 -3,-0.2 0.507 62.4 152.3 103.4 4.4 35.4 0.1 -16.6 227 302 A F < - 0 0 3 -5,-1.8 -1,-0.3 1,-0.1 -22,-0.2 -0.348 31.1-159.0 -63.6 151.5 31.9 0.5 -18.2 228 303 A R S S+ 0 0 34 -24,-2.8 -208,-2.7 1,-0.3 2,-0.3 0.655 74.2 28.8-105.8 -24.4 31.2 -1.9 -21.1 229 304 A I E -ab 20 205A 0 -25,-1.3 -23,-2.6 -210,-0.2 2,-0.4 -0.993 60.5-171.2-135.8 145.1 28.4 -0.1 -22.8 230 305 A M E -ab 21 206A 0 -210,-2.6 -208,-2.8 -2,-0.3 2,-0.3 -0.983 8.2-166.1-139.1 122.1 27.7 3.7 -23.0 231 306 A I E -ab 22 207A 0 -25,-2.3 -23,-2.9 -2,-0.4 2,-0.6 -0.833 13.2-141.3-109.1 148.8 24.4 4.9 -24.6 232 307 A F E > -ab 23 208A 43 -210,-2.1 -208,-1.6 -2,-0.3 3,-1.5 -0.781 13.5-161.4-118.7 88.7 23.8 8.5 -25.5 233 308 A S E 3 S+ b 0 209A 12 -25,-1.6 -23,-2.3 -2,-0.6 -189,-0.0 -0.417 79.9 9.0 -66.8 136.5 20.2 9.7 -24.8 234 309 A F T 3> S+ 0 0 73 -25,-0.2 4,-1.5 -2,-0.1 -1,-0.3 0.449 85.7 131.6 69.2 10.0 19.2 12.8 -26.7 235 310 A A T <4 S+ 0 0 38 -3,-1.5 -2,-0.1 1,-0.2 -210,-0.1 0.749 86.1 17.6 -62.0 -30.1 22.3 12.6 -28.9 236 311 A T T > S+ 0 0 36 -212,-0.6 4,-1.9 -4,-0.2 -1,-0.2 0.723 120.5 59.0-112.5 -30.9 20.3 13.1 -32.1 237 312 A L H > S+ 0 0 36 -213,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 105.7 52.0 -65.3 -42.4 16.9 14.4 -31.0 238 313 A A H X S+ 0 0 32 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.959 112.9 40.2 -61.8 -54.5 18.5 17.5 -29.4 239 314 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.861 112.4 57.5 -67.3 -30.4 20.6 18.7 -32.3 240 315 A A H X S+ 0 0 24 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.947 108.7 47.0 -61.5 -47.2 17.7 17.9 -34.7 241 316 A Y H X S+ 0 0 143 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.942 111.1 50.0 -58.7 -49.0 15.4 20.2 -32.7 242 317 A A H X S+ 0 0 55 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.894 115.1 43.8 -57.4 -40.8 17.9 23.0 -32.6 243 318 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.887 113.0 49.8 -70.8 -46.3 18.5 22.9 -36.3 244 319 A I H X S+ 0 0 97 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.927 113.5 48.8 -58.5 -43.6 14.9 22.5 -37.3 245 320 A R H X S+ 0 0 132 -4,-2.8 4,-2.2 -5,-0.3 5,-0.2 0.945 111.1 47.1 -63.3 -48.7 14.1 25.5 -35.0 246 321 A E H X S+ 0 0 131 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.899 114.5 48.5 -61.4 -39.4 16.8 27.8 -36.4 247 322 A T H X S+ 0 0 34 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.931 111.6 47.7 -67.2 -45.2 15.8 26.9 -39.9 248 323 A L H X S+ 0 0 101 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.846 108.4 54.9 -66.7 -31.7 12.1 27.5 -39.4 249 324 A V H X S+ 0 0 43 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.918 109.0 49.6 -65.7 -42.4 12.8 30.9 -37.7 250 325 A R H X>S+ 0 0 73 -4,-1.8 4,-2.6 -5,-0.2 6,-0.7 0.915 111.8 47.7 -62.0 -43.7 14.8 31.8 -40.9 251 326 A L H X5S+ 0 0 73 -4,-2.3 4,-1.7 4,-0.2 -2,-0.2 0.949 114.0 47.4 -63.9 -42.9 11.9 30.7 -43.1 252 327 A R H <5S+ 0 0 176 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 124.5 29.1 -63.8 -42.9 9.4 32.6 -40.9 253 328 A D H <5S+ 0 0 89 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.683 134.2 25.7 -95.1 -18.1 11.4 35.9 -40.8 254 329 A H H <5S- 0 0 145 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.461 93.8-123.2-123.9 -11.1 13.4 35.8 -44.0 255 330 A G S < - 0 0 96 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.192 42.3-122.6 -42.4 133.9 23.6 24.2 -47.1 261 336 A D T 3 S+ 0 0 153 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.537 102.8 67.7 -62.4 -18.4 23.4 23.2 -50.7 262 337 A G T 3 S+ 0 0 47 1,-0.2 2,-1.7 2,-0.1 -1,-0.3 0.600 77.4 86.6 -79.0 -7.9 25.0 19.8 -50.5 263 338 A I < + 0 0 74 -3,-2.0 -1,-0.2 4,-0.1 -4,-0.1 -0.605 68.4 164.9 -91.9 74.6 22.1 18.4 -48.4 264 339 A T > - 0 0 51 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.441 54.2-107.9 -88.0 162.2 20.1 17.5 -51.5 265 340 A P H > S+ 0 0 90 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.937 121.6 51.8 -56.9 -42.4 17.1 15.2 -51.7 266 341 A V H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 107.1 51.7 -64.4 -37.4 19.4 12.6 -53.4 267 342 A R H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 111.2 48.0 -63.2 -42.6 22.0 12.8 -50.7 268 343 A L H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.911 111.8 50.1 -62.2 -39.5 19.2 12.2 -48.1 269 344 A F H <>S+ 0 0 123 -4,-2.6 5,-1.9 1,-0.2 -1,-0.2 0.904 109.1 51.7 -65.8 -39.8 17.9 9.3 -50.2 270 345 A E H ><5S+ 0 0 118 -4,-2.6 3,-1.4 3,-0.2 5,-0.3 0.917 108.9 49.6 -62.6 -41.7 21.3 7.8 -50.4 271 346 A V H 3<5S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.918 111.2 53.6 -63.2 -35.9 21.7 8.0 -46.6 272 347 A C T 3<5S- 0 0 56 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.015 132.3 -81.1 -90.5 28.3 18.3 6.3 -46.4 273 348 A G T <>5S+ 0 0 14 -3,-1.4 4,-2.0 -241,-0.1 -3,-0.2 0.678 75.6 144.1 87.7 24.1 19.0 3.3 -48.6 274 349 A L H > S+ 0 0 108 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.921 107.6 49.9 -60.5 -40.6 21.6 2.2 -53.3 276 351 A D H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 112.9 48.0 -62.8 -40.0 20.0 -0.9 -51.8 277 352 A A H X S+ 0 0 54 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.908 109.5 51.8 -67.7 -38.3 16.8 -0.1 -53.5 278 353 A M H X S+ 0 0 84 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.862 108.0 52.7 -67.0 -34.2 18.4 0.6 -56.9 279 354 A E H X S+ 0 0 114 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.894 111.0 46.6 -69.6 -36.8 20.2 -2.8 -56.6 280 355 A V H X S+ 0 0 108 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.956 115.9 45.7 -67.5 -46.8 16.8 -4.5 -56.1 281 356 A D H <>S+ 0 0 97 -4,-2.8 5,-0.8 1,-0.2 4,-0.5 0.943 116.9 43.0 -62.0 -48.7 15.2 -2.6 -58.9 282 357 A N H ><5S+ 0 0 122 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.907 112.5 53.4 -65.5 -43.2 18.0 -3.1 -61.4 283 358 A G H 3<5S+ 0 0 70 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.809 100.4 62.1 -62.2 -31.3 18.5 -6.8 -60.4 284 359 A A T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.658 103.0-131.5 -71.2 -16.0 14.8 -7.5 -61.0 285 360 A G T < 5 0 0 74 -3,-1.3 -3,-0.1 -4,-0.5 -2,-0.1 0.691 360.0 360.0 73.3 22.4 15.1 -6.6 -64.7 286 361 A G < 0 0 88 -5,-0.8 -1,-0.2 0, 0.0 -2,-0.2 -0.936 360.0 360.0-179.5 360.0 12.1 -4.3 -64.8