==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAY-12 4AUP . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 GROUP XIII; . SOURCE 2 ORGANISM_SCIENTIFIC: TUBER BORCHII; . AUTHOR D.CAVAZZINI,F.MESCHI,R.CORSINI,A.BOLCHI,G.-L.ROSSI,O.EINSLE, . 243 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 3 0 0 0 0 0 2 0 0 3 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 92 A S > 0 0 89 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 127.8 19.0 26.2 26.4 2 93 A P H > + 0 0 70 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.877 360.0 44.8 -65.9 -33.9 20.0 29.2 24.3 3 94 A V H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.837 111.1 50.0 -78.9 -39.0 18.8 27.4 21.0 4 95 A S H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 114.5 46.2 -68.7 -37.1 15.4 26.0 22.3 5 96 A D H X S+ 0 0 39 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.824 111.2 52.2 -71.3 -37.4 14.5 29.5 23.7 6 97 A T H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.936 113.5 44.0 -63.8 -45.5 15.6 31.2 20.4 7 98 A D H X>S+ 0 0 48 -4,-2.1 4,-2.7 2,-0.2 5,-0.6 0.840 111.9 52.2 -70.5 -36.2 13.4 28.9 18.3 8 99 A R H X5S+ 0 0 56 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.938 115.1 42.2 -60.0 -45.5 10.5 29.1 20.7 9 100 A L H <5S+ 0 0 1 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.836 120.1 44.0 -72.5 -35.7 10.6 32.9 20.5 10 101 A L H <5S+ 0 0 1 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.943 130.2 15.1 -69.5 -57.6 11.2 32.9 16.7 11 102 A Y H <5S+ 0 0 54 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.625 128.5 38.6-103.6 -17.8 8.7 30.3 15.4 12 103 A S S <> - 0 0 31 -2,-0.4 4,-1.8 1,-0.1 3,-0.8 -0.408 35.1-107.9 -64.7 147.2 2.8 35.4 18.8 15 106 A M H 3> S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.815 115.3 54.8 -44.7 -52.4 4.3 38.9 18.0 16 107 A P H 3> S+ 0 0 73 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.912 111.4 45.5 -50.9 -41.6 2.9 40.7 21.1 17 108 A A H <> S+ 0 0 11 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.856 111.9 52.7 -71.3 -33.5 4.5 38.1 23.4 18 109 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.926 110.3 48.2 -66.8 -43.7 7.8 38.3 21.3 19 110 A L H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.839 110.4 51.5 -64.7 -34.1 7.8 42.1 21.8 20 111 A T H X S+ 0 0 7 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.931 110.1 48.2 -65.9 -48.2 7.2 41.7 25.5 21 112 A A H <>S+ 0 0 12 -4,-2.3 5,-2.9 1,-0.2 4,-0.3 0.892 114.4 48.7 -56.9 -45.6 10.2 39.3 25.8 22 113 A K H ><5S+ 0 0 26 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.931 109.6 49.3 -53.4 -58.4 12.2 41.8 23.8 23 114 A R H 3<5S+ 0 0 165 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.838 119.0 40.4 -54.5 -38.5 11.2 44.8 25.9 24 115 A N T 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.480 105.0-131.4 -86.6 -4.3 12.1 42.8 29.1 25 116 A K T < 5 - 0 0 138 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.930 39.8-163.5 46.5 54.1 15.2 41.3 27.5 26 117 A N S S- 0 0 17 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.328 85.1-154.4 -85.8 133.9 16.0 35.6 28.7 28 119 A G T 3 S+ 0 0 65 1,-0.3 4,-0.1 -4,-0.1 -2,-0.1 0.599 80.5 77.2 -44.7 -22.9 19.0 38.0 29.2 29 120 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.613 86.0 70.6 -70.1 -17.8 21.6 35.6 27.7 30 121 A L S < S- 0 0 15 -3,-1.8 2,-0.7 -5,-0.1 32,-0.1 -0.583 92.9 -89.7-107.1 171.5 20.6 36.3 24.1 31 122 A D + 0 0 25 -2,-0.2 31,-0.2 27,-0.2 30,-0.1 -0.654 40.0 168.5 -83.9 113.9 21.0 39.2 21.7 32 123 A W + 0 0 19 -2,-0.7 2,-0.2 -4,-0.1 -1,-0.1 0.229 39.8 113.9-105.4 8.9 18.0 41.6 21.9 33 124 A S + 0 0 57 24,-0.1 2,-0.3 25,-0.1 28,-0.1 -0.527 40.1 177.3 -85.1 150.9 19.5 44.5 19.8 34 125 A D - 0 0 55 -2,-0.2 3,-0.1 27,-0.0 20,-0.1 -0.990 39.6-152.4-150.2 156.5 18.1 45.6 16.5 35 126 A D > - 0 0 85 1,-0.5 4,-0.6 -2,-0.3 19,-0.1 -0.164 52.1-129.7-110.8 29.5 18.6 48.1 13.7 36 127 A G T 4 S- 0 0 3 2,-0.1 2,-0.8 3,-0.1 -1,-0.5 -0.267 80.6 -1.2 54.7-134.3 14.9 47.7 12.8 37 128 A a T >4 S- 0 0 5 3,-0.2 2,-1.8 -3,-0.1 3,-0.8 -0.806 97.5-113.7 -80.7 110.2 14.3 47.0 9.1 38 129 A S T 34 S- 0 0 78 -2,-0.8 -2,-0.1 1,-0.3 -1,-0.1 -0.210 80.3 -40.7 -60.5 77.8 18.1 47.3 8.4 39 130 A K T 3< S+ 0 0 171 -2,-1.8 -1,-0.3 -4,-0.6 -3,-0.1 0.999 112.3 103.8 30.5 91.0 17.6 50.5 6.3 40 131 A S S < S- 0 0 40 -3,-0.8 -1,-0.3 0, 0.0 -3,-0.2 -0.629 95.3 -78.5-155.9 144.3 14.5 50.0 4.2 41 132 A P - 0 0 67 0, 0.0 -3,-0.0 0, 0.0 8,-0.0 -0.182 30.6-135.7 -53.2 148.6 11.9 52.1 6.0 42 133 A D S S+ 0 0 47 1,-0.3 7,-1.9 6,-0.1 8,-0.9 0.720 103.6 34.1 -71.3 -28.6 10.4 50.7 9.2 43 134 A R S > S- 0 0 147 5,-0.2 3,-2.2 6,-0.2 -1,-0.3 -0.586 80.0-169.8-128.2 68.4 6.9 51.7 8.0 44 135 A P G > S- 0 0 15 0, 0.0 3,-2.2 0, 0.0 62,-0.1 -0.456 82.7 -5.6 -67.5 131.5 6.8 51.4 4.2 45 136 A A G 3 S- 0 0 76 1,-0.3 3,-0.1 -2,-0.2 58,-0.0 0.735 133.0 -63.4 54.5 23.9 3.6 53.1 2.9 46 137 A G G < S+ 0 0 57 -3,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.498 101.5 137.8 79.5 7.7 2.8 53.5 6.6 47 138 A F < - 0 0 3 -3,-2.2 2,-1.1 1,-0.1 -1,-0.3 -0.698 61.0-116.8 -84.8 136.7 2.6 49.7 7.3 48 139 A N + 0 0 40 -2,-0.3 4,-0.2 -5,-0.2 -5,-0.2 -0.610 54.4 146.9 -75.6 99.5 4.2 48.5 10.5 49 140 A F > + 0 0 0 -7,-1.9 4,-2.4 -2,-1.1 -1,-0.2 0.448 52.3 89.1-105.1 -10.8 7.0 46.2 9.3 50 141 A L H > S+ 0 0 25 -8,-0.9 4,-3.0 2,-0.2 5,-0.2 0.890 83.1 52.1 -60.2 -42.2 9.2 47.1 12.3 51 142 A D H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 112.9 45.7 -60.9 -43.4 7.9 44.4 14.6 52 143 A S H > S+ 0 0 3 1,-0.2 4,-2.7 -4,-0.2 -2,-0.2 0.904 113.7 49.7 -63.7 -41.5 8.6 41.7 11.9 53 144 A a H X S+ 0 0 4 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.889 106.7 55.1 -64.6 -42.2 12.0 43.2 11.3 54 145 A K H X S+ 0 0 50 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.930 112.7 42.7 -56.0 -45.1 12.8 43.2 15.0 55 146 A R H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.875 113.1 52.0 -70.5 -38.0 12.0 39.4 15.0 56 147 A H H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 110.5 48.0 -63.3 -40.9 14.0 38.9 11.8 57 148 A D H X S+ 0 0 12 -4,-3.3 4,-3.3 2,-0.2 5,-0.3 0.887 109.5 55.3 -63.3 -42.4 17.0 40.8 13.4 58 149 A F H X S+ 0 0 4 -4,-2.3 4,-1.8 -5,-0.2 5,-0.2 0.884 110.0 46.0 -53.5 -43.0 16.5 38.5 16.5 59 150 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 117.1 42.0 -71.4 -48.4 16.8 35.5 14.3 60 151 A Y H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.963 117.8 45.3 -58.0 -59.1 19.9 36.7 12.3 61 152 A R H X S+ 0 0 69 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.837 117.8 43.7 -57.0 -39.0 21.8 38.1 15.4 62 153 A N H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.856 112.6 49.4 -80.1 -34.3 21.1 35.1 17.5 63 154 A Y H <>S+ 0 0 2 -4,-2.0 5,-0.7 -5,-0.2 6,-0.6 0.867 114.1 48.1 -70.3 -33.4 21.8 32.4 14.9 64 155 A K H <5S+ 0 0 96 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.926 113.8 45.2 -68.6 -48.0 25.2 34.3 14.1 65 156 A K H <5S+ 0 0 156 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.859 116.6 58.3 -64.8 -32.1 26.1 34.5 17.9 66 157 A Q T <5S- 0 0 33 -4,-2.1 3,-0.3 -5,-0.1 -3,-0.1 -0.132 108.0 -97.3 -81.2-174.1 25.1 30.9 18.0 67 158 A H T 5S+ 0 0 165 1,-0.2 -3,-0.1 -2,-0.0 -4,-0.1 0.493 101.6 68.7 -84.8 -0.9 26.7 28.2 15.9 68 159 A R < + 0 0 27 -5,-0.7 2,-2.3 -6,-0.2 -4,-0.2 -0.054 37.6 133.2-126.0 28.7 24.1 28.0 13.0 69 160 A F + 0 0 47 -6,-0.6 -1,-0.1 -3,-0.3 -5,-0.1 -0.307 40.3 150.6 -80.9 60.2 23.8 30.9 10.6 70 161 A T > - 0 0 73 -2,-2.3 4,-2.5 1,-0.1 5,-0.1 -0.304 62.4-104.7 -80.1 170.2 23.8 28.7 7.5 71 162 A E H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.924 121.9 49.6 -63.2 -43.7 22.1 29.4 4.2 72 163 A A H > S+ 0 0 74 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.880 113.7 45.6 -64.7 -36.7 19.3 26.9 5.0 73 164 A N H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 107.8 58.3 -70.3 -38.3 18.7 28.4 8.5 74 165 A R H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.874 106.4 49.3 -54.6 -39.5 18.8 31.9 7.0 75 166 A K H X S+ 0 0 84 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.841 106.6 53.7 -70.9 -37.5 15.9 30.9 4.7 76 167 A R H X S+ 0 0 133 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.920 112.8 45.3 -61.3 -43.1 13.8 29.5 7.6 77 168 A I H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.889 113.9 49.1 -67.9 -40.1 14.3 32.9 9.4 78 169 A D H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.890 110.2 50.5 -65.5 -40.4 13.5 34.8 6.1 79 170 A D H X S+ 0 0 62 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.898 108.6 52.1 -65.3 -40.7 10.3 32.6 5.6 80 171 A N H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.857 106.2 56.6 -62.9 -30.3 9.2 33.4 9.2 81 172 A F H X S+ 0 0 4 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.947 106.3 46.7 -67.2 -47.7 9.8 37.1 8.3 82 173 A K H X S+ 0 0 61 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.897 112.6 53.0 -61.9 -37.8 7.3 36.9 5.4 83 174 A K H X S+ 0 0 122 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.932 111.0 45.1 -56.3 -48.7 4.9 35.0 7.8 84 175 A D H X S+ 0 0 5 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.894 114.2 49.0 -63.2 -44.6 5.2 37.9 10.4 85 176 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.930 110.2 50.4 -64.1 -44.8 4.8 40.5 7.7 86 177 A Y H X S+ 0 0 80 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.824 106.6 57.1 -62.8 -31.0 1.7 38.7 6.2 87 178 A N H < S+ 0 0 91 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.910 108.4 46.3 -65.9 -40.3 0.2 38.6 9.8 88 179 A E H >< S+ 0 0 24 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.938 111.2 50.7 -66.3 -46.2 0.5 42.3 10.0 89 180 A b H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.857 100.1 65.1 -58.8 -38.6 -1.1 42.9 6.6 90 181 A A T 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.457 82.0 81.0 -63.8 -4.2 -4.0 40.6 7.6 91 182 A K T < S+ 0 0 137 -3,-1.7 2,-0.6 -4,-0.1 -1,-0.3 0.330 71.1 94.8 -83.9 4.8 -5.0 43.2 10.2 92 183 A Y < - 0 0 58 -3,-1.3 2,-0.3 4,-0.1 8,-0.1 -0.914 68.8-147.4-104.2 114.4 -6.7 45.3 7.5 93 184 A S - 0 0 99 -2,-0.6 3,-0.3 1,-0.1 2,-0.1 -0.980 36.8 -52.7-134.5 143.3 -10.4 44.6 7.2 94 185 A G S S+ 0 0 74 1,-0.8 2,-0.2 -2,-0.3 -1,-0.1 -0.857 124.4 38.0-163.1 43.2 -12.4 44.6 5.0 95 186 A L S S+ 0 0 121 -2,-0.1 -1,-0.8 0, 0.0 5,-0.2 0.489 91.5 80.1 46.1 173.3 -12.4 47.3 3.3 96 187 A E > + 0 0 58 -3,-0.3 4,-2.9 -2,-0.2 5,-0.1 0.821 57.8 144.3 17.4 57.9 -8.7 48.1 3.2 97 188 A S T 4 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.722 77.9 45.6 -70.3 -43.2 -8.9 45.5 0.5 98 189 A W T > S+ 0 0 152 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.446 107.1 51.3 92.2-101.2 -6.6 47.6 -0.7 99 190 A K H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.944 113.9 47.2 -66.1 -43.6 -4.4 48.1 2.4 100 191 A G H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.918 115.8 43.6 -61.8 -48.4 -4.1 44.3 2.9 101 192 A V H > S+ 0 0 62 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.902 117.5 45.9 -65.0 -43.3 -3.3 43.6 -0.8 102 193 A A H X S+ 0 0 33 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.906 111.7 51.7 -66.1 -41.6 -0.8 46.6 -1.0 103 194 A b H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.922 110.3 49.7 -58.8 -44.9 0.8 45.6 2.3 104 195 A R H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.832 107.5 53.0 -64.0 -34.3 1.3 42.0 1.0 105 196 A K H X S+ 0 0 136 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.915 113.2 43.5 -68.5 -42.4 2.9 43.2 -2.3 106 197 A I H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.886 109.9 57.1 -70.3 -39.7 5.4 45.4 -0.3 107 198 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.920 104.2 53.6 -55.9 -38.6 5.9 42.4 2.2 108 199 A N H X S+ 0 0 42 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.909 108.9 48.4 -62.8 -38.8 6.9 40.3 -0.9 109 200 A T H X S+ 0 0 84 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.877 110.9 49.4 -67.0 -41.5 9.5 42.9 -1.9 110 201 A Y H X S+ 0 0 24 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.898 113.7 47.2 -62.0 -41.9 11.0 43.1 1.7 111 202 A Y H X S+ 0 0 27 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.942 109.9 51.5 -66.7 -47.9 11.1 39.3 1.7 112 203 A D H X S+ 0 0 89 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.898 109.4 53.3 -53.6 -41.5 12.8 39.2 -1.8 113 204 A A H X S+ 0 0 45 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.877 108.3 46.5 -62.3 -46.3 15.4 41.7 -0.6 114 205 A V H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.920 111.0 54.4 -64.7 -39.8 16.4 39.7 2.5 115 206 A R H < S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 4,-0.2 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63 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.1 -0.132 94.4 85.1-133.5 41.0 9.6 33.9 34.1 137 104 B T S S- 0 0 17 -4,-0.2 2,-0.1 -3,-0.2 -116,-0.0 -0.990 73.3-125.2-148.0 125.6 7.0 35.7 31.9 138 105 B A >> - 0 0 31 -2,-0.4 4,-1.7 1,-0.1 3,-1.0 -0.479 36.5-105.4 -73.3 150.3 5.9 39.3 32.2 139 106 B M H 3> S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.819 117.1 54.2 -44.8 -52.7 2.1 39.7 32.5 140 107 B P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.891 110.9 47.2 -55.6 -40.0 1.4 41.0 28.9 141 108 B A H <> S+ 0 0 12 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.867 111.2 51.6 -65.4 -35.9 3.3 37.9 27.5 142 109 B F H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.922 110.4 47.6 -69.0 -38.6 1.3 35.6 29.8 143 110 B L H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.860 112.1 51.6 -71.8 -27.7 -2.1 37.2 28.7 144 111 B T H X S+ 0 0 6 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.933 110.6 47.1 -73.0 -46.2 -0.9 36.8 25.0 145 112 B A H X>S+ 0 0 9 -4,-2.5 5,-2.2 2,-0.2 4,-0.9 0.917 114.5 49.0 -54.3 -48.2 -0.0 33.1 25.5 146 113 B K H ><5S+ 0 0 18 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2,-0.3 25,-0.1 28,-0.1 -0.445 37.8 175.6 -74.8 144.8 -9.6 27.8 31.8 158 125 B D - 0 0 54 -2,-0.1 3,-0.1 27,-0.0 20,-0.1 -0.993 38.1-157.3-145.0 160.6 -10.2 30.2 34.6 159 126 B D > - 0 0 85 1,-0.5 3,-1.1 -2,-0.3 19,-0.1 -0.090 47.0-130.4-119.6 29.1 -12.9 31.6 36.9 160 127 B G T 3 S- 0 0 2 1,-0.2 -1,-0.5 14,-0.1 3,-0.1 -0.268 78.7 -11.7 55.5-136.9 -11.1 34.9 37.5 161 128 B c T > S- 0 0 5 1,-0.2 3,-1.7 3,-0.2 2,-0.5 0.032 88.4-154.3 -82.5 30.9 -10.8 35.8 41.2 162 129 B S T < S+ 0 0 73 -3,-1.1 -1,-0.2 1,-0.3 4,-0.1 -0.109 77.5 19.9 40.3 -84.6 -13.3 32.9 41.9 163 130 B K T 3 S+ 0 0 110 -2,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.904 122.5 53.5 -73.9 -50.0 -15.0 34.0 45.2 164 131 B S S < S- 0 0 34 -3,-1.7 -3,-0.2 1,-0.2 70,-0.0 -0.310 98.8 -74.1 -91.7 164.3 -14.2 37.7 45.2 165 132 B P - 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.328 33.1-139.6 -58.4 141.7 -14.8 40.6 42.7 166 133 B D S S+ 0 0 63 1,-0.3 7,-1.4 -4,-0.1 8,-0.6 0.766 98.9 32.8 -71.3 -29.9 -12.4 40.6 39.7 167 134 B R S > S- 0 0 134 5,-0.2 3,-1.9 6,-0.2 -1,-0.3 -0.583 80.0-165.6-129.8 71.3 -12.0 44.4 39.8 168 135 B P G > S- 0 0 12 0, 0.0 3,-2.3 0, 0.0 62,-0.1 -0.412 80.7 -13.2 -65.2 125.6 -12.2 45.5 43.4 169 136 B A G 3 S- 0 0 90 1,-0.3 3,-0.1 -2,-0.2 58,-0.0 0.712 130.1 -58.7 51.8 25.6 -12.6 49.4 43.5 170 137 B G G < S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.367 100.7 140.0 91.1 -5.7 -11.7 49.4 39.8 171 138 B F < - 0 0 13 -3,-2.3 2,-1.4 1,-0.1 -1,-0.3 -0.524 59.8-120.6 -71.6 135.2 -8.3 47.8 40.3 172 139 B N + 0 0 25 -2,-0.2 4,-0.3 1,-0.2 -5,-0.2 -0.669 55.9 145.0 -80.6 94.0 -7.5 45.2 37.6 173 140 B F > + 0 0 0 -7,-1.4 4,-2.4 -2,-1.4 -1,-0.2 0.467 52.4 88.2-100.0 -10.9 -6.9 42.1 39.7 174 141 B L H > S+ 0 0 23 -8,-0.6 4,-2.8 -3,-0.2 5,-0.2 0.902 85.3 49.7 -55.9 -47.3 -8.4 39.9 37.0 175 142 B D H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 111.5 48.2 -63.4 -46.2 -5.1 39.4 35.2 176 143 B S H > S+ 0 0 3 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.898 112.7 49.8 -57.1 -44.5 -3.2 38.4 38.4 177 144 B c H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.873 105.8 55.9 -64.8 -37.9 -6.1 36.0 39.2 178 145 B K H X S+ 0 0 49 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.914 111.6 43.4 -58.8 -46.1 -6.0 34.4 35.7 179 146 B R H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 112.7 53.2 -63.5 -40.2 -2.3 33.6 36.1 180 147 B H H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.927 110.4 47.7 -60.1 -45.6 -3.0 32.4 39.8 181 148 B D H X S+ 0 0 13 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.840 107.7 55.4 -62.9 -41.5 -5.8 30.0 38.4 182 149 B F H X S+ 0 0 5 -4,-1.7 4,-2.2 -5,-0.2 5,-0.3 0.916 109.2 48.6 -53.3 -45.4 -3.4 28.8 35.7 183 150 B G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.976 115.3 42.9 -63.1 -53.5 -0.9 27.9 38.5 184 151 B Y H X S+ 0 0 22 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.864 117.8 44.4 -59.7 -45.7 -3.6 26.0 40.6 185 152 B R H X S+ 0 0 72 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.907 117.2 43.1 -71.4 -42.2 -5.3 24.2 37.6 186 153 B N H X S+ 0 0 4 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.933 113.8 49.5 -74.1 -45.7 -2.1 23.1 35.9 187 154 B Y H <>S+ 0 0 3 -4,-2.6 5,-2.9 -5,-0.3 6,-0.7 0.861 112.6 50.1 -57.7 -37.8 -0.3 22.0 39.1 188 155 B K H ><5S+ 0 0 94 -4,-1.6 3,-1.3 -5,-0.3 -2,-0.2 0.942 112.3 45.4 -65.6 -43.8 -3.4 20.0 40.0 189 156 B K H 3<5S+ 0 0 140 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 113.5 51.3 -66.1 -35.3 -3.6 18.3 36.6 190 157 B Q T 3<5S- 0 0 48 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.301 112.3-123.2 -82.8 8.8 0.2 17.7 36.8 191 158 B H T < 5S+ 0 0 175 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.841 84.7 105.8 52.1 39.2 -0.2 16.1 40.3 192 159 B R < + 0 0 44 -5,-2.9 2,-2.2 -6,-0.1 -4,-0.2 0.085 28.5 130.9-130.9 22.0 2.2 18.5 42.0 193 160 B F + 0 0 46 -6,-0.7 2,-0.1 -5,-0.1 -5,-0.1 -0.339 34.4 153.9 -72.7 62.1 -0.3 20.8 43.9 194 161 B T > - 0 0 74 -2,-2.2 4,-3.0 1,-0.1 5,-0.2 -0.419 59.8-108.5 -79.6 164.4 1.6 20.5 47.2 195 162 B E H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.856 121.3 53.4 -61.2 -40.4 1.5 23.2 49.9 196 163 B A H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 114.2 42.3 -61.3 -44.0 5.1 24.2 49.1 197 164 B N H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 111.5 54.5 -69.5 -40.0 4.1 24.6 45.4 198 165 B R H X S+ 0 0 2 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.920 106.8 52.2 -60.9 -37.6 0.8 26.3 46.3 199 166 B K H X S+ 0 0 91 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.908 107.9 52.1 -63.3 -40.8 2.8 28.9 48.4 200 167 B R H X S+ 0 0 128 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.898 112.2 44.6 -58.4 -47.0 5.0 29.6 45.4 201 168 B I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 114.9 49.0 -66.3 -42.9 1.9 30.2 43.2 202 169 B D H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.881 111.3 49.3 -62.7 -41.9 0.4 32.4 45.9 203 170 B D H X S+ 0 0 57 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.927 109.9 51.4 -61.4 -42.7 3.6 34.4 46.3 204 171 B N H X S+ 0 0 16 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.848 107.5 54.3 -66.4 -31.6 3.8 34.9 42.6 205 172 B F H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.903 106.9 48.6 -65.1 -47.6 0.1 36.1 42.7 206 173 B K H X S+ 0 0 70 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.938 111.8 52.4 -56.3 -42.9 1.0 38.8 45.4 207 174 B K H X S+ 0 0 132 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 109.7 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