==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-09 2WG9 . COMPND 2 MOLECULE: PUTATIVE PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA; . AUTHOR J.E.GUY,U.STAHL,Y.LINDQVIST . 228 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.3 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 . 2 0.9 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 . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 12 A A 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.4 -22.8 36.2 2.9 2 13 A K + 0 0 91 1,-0.1 0, 0.0 32,-0.0 0, 0.0 0.827 360.0 41.9 -93.3 -39.3 -20.9 38.0 0.0 3 14 A D S S+ 0 0 53 31,-0.1 2,-0.3 2,-0.0 3,-0.2 0.080 101.7 87.5-100.3 21.0 -21.8 41.6 0.7 4 15 A Q S S+ 0 0 147 1,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.889 82.2 25.1-114.9 150.5 -21.4 41.3 4.5 5 16 A G S S+ 0 0 90 -2,-0.3 2,-0.3 1,-0.3 27,-0.2 0.798 99.7 106.1 72.3 31.4 -18.2 41.8 6.5 6 17 A a - 0 0 39 -3,-0.2 2,-0.3 25,-0.1 -1,-0.3 -0.896 67.8-103.6-140.2 162.9 -16.6 44.1 3.9 7 18 A S B +a 33 0A 10 25,-2.7 27,-2.2 18,-0.4 30,-0.1 -0.700 26.0 171.0 -97.1 142.5 -15.8 47.8 3.3 8 19 A R + 0 0 125 -2,-0.3 2,-0.4 25,-0.2 -1,-0.1 0.105 66.0 84.9-120.0 15.4 -17.5 50.4 1.2 9 20 A T S S- 0 0 69 15,-0.1 2,-1.0 16,-0.1 31,-0.1 -0.939 80.8-120.6-126.2 139.0 -15.4 53.2 2.7 10 21 A b - 0 0 47 -2,-0.4 15,-0.2 73,-0.1 2,-0.1 -0.678 42.3-166.9 -78.1 102.7 -11.9 54.6 1.8 11 22 A E E -B 24 0B 51 13,-2.3 13,-2.8 -2,-1.0 16,-0.1 -0.423 25.8-176.3 -89.3 160.6 -10.0 54.1 5.1 12 23 A S E +B 23 0B 12 11,-0.2 2,-0.3 -2,-0.1 11,-0.2 -0.397 33.2 141.3-154.1 72.7 -6.7 55.5 6.2 13 24 A Q E +B 22 0B 96 9,-2.8 9,-2.3 1,-0.2 4,-0.1 -0.894 65.4 2.9-122.2 144.0 -6.0 53.9 9.6 14 25 A F S > S- 0 0 105 -2,-0.3 3,-1.7 7,-0.2 -1,-0.2 0.889 73.4-175.9 46.9 48.7 -2.7 52.7 11.2 15 26 A c T 3 S+ 0 0 23 1,-0.3 80,-0.2 -3,-0.2 -1,-0.1 0.697 77.3 27.9 -47.6 -31.5 -0.9 53.9 8.1 16 27 A T T 3 S+ 0 0 76 1,-0.1 2,-0.8 79,-0.1 -1,-0.3 0.333 97.3 93.2-118.5 3.5 2.5 52.5 9.2 17 28 A I X> - 0 0 81 -3,-1.7 4,-1.8 1,-0.2 3,-1.4 -0.856 61.4-158.3-103.5 101.1 1.4 49.6 11.5 18 29 A A T 34 S+ 0 0 30 -2,-0.8 11,-0.4 1,-0.3 3,-0.2 0.817 85.7 47.3 -50.8 -49.6 1.4 46.5 9.2 19 30 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 10,-0.1 0.732 124.2 33.5 -68.1 -19.3 -0.9 44.2 11.2 20 31 A L T <4 S+ 0 0 94 -3,-1.4 -2,-0.2 -6,-0.2 -7,-0.1 0.491 84.8 132.3-112.7 -8.8 -3.5 46.9 11.7 21 32 A L < + 0 0 6 -4,-1.8 8,-0.4 -3,-0.2 2,-0.3 -0.157 27.1 178.1 -48.3 130.5 -3.2 48.9 8.5 22 33 A R E +B 13 0B 127 -9,-2.3 -9,-2.8 6,-0.1 2,-0.4 -0.911 8.6 165.7-138.0 114.2 -6.5 49.8 6.7 23 34 A Y E >> -BC 12 27B 0 4,-2.5 4,-2.0 -2,-0.3 3,-0.5 -0.996 55.1 -26.0-136.1 129.4 -6.1 51.8 3.6 24 35 A G E 34 S-B 11 0B 0 -13,-2.8 -13,-2.3 -2,-0.4 -15,-0.1 -0.367 104.5 -56.9 63.4-147.2 -8.8 52.4 0.9 25 36 A K T 34 S+ 0 0 25 -15,-0.2 -18,-0.4 -17,-0.1 -1,-0.2 0.541 134.9 29.3 -99.3 -12.4 -11.4 49.7 0.7 26 37 A Y T <4 S+ 0 0 1 -3,-0.5 2,-0.6 6,-0.2 5,-0.2 0.664 85.6 98.5-125.1 -28.6 -8.9 46.8 0.0 27 38 A d B < +C 23 0B 0 -4,-2.0 -4,-2.5 -16,-0.1 2,-0.2 -0.606 65.1 64.6 -80.6 115.1 -5.4 47.3 1.6 28 39 A G S > S- 0 0 23 -2,-0.6 3,-1.0 -6,-0.2 2,-0.3 -0.655 87.1 -74.5 150.3 154.9 -5.0 45.5 4.9 29 40 A I T 3 S- 0 0 102 -11,-0.4 3,-0.1 -8,-0.4 -2,-0.0 -0.557 116.3 -3.3 -75.1 132.4 -4.9 42.0 6.4 30 41 A L T 3 S+ 0 0 173 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.917 112.0 113.1 47.4 47.9 -8.4 40.4 6.6 31 42 A Y < + 0 0 23 -3,-1.0 2,-0.3 -5,-0.2 -1,-0.2 -0.928 37.2 151.2-149.0 119.6 -9.8 43.7 5.2 32 43 A S - 0 0 37 -2,-0.3 -25,-2.7 -27,-0.2 -6,-0.2 -0.979 40.9 -97.0-153.0 160.8 -11.4 43.9 1.8 33 44 A G B -a 7 0A 9 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.426 42.2-102.4 -82.4 152.3 -14.0 45.7 -0.3 34 45 A a > - 0 0 2 -27,-2.2 3,-2.3 1,-0.2 -31,-0.1 -0.336 58.8 -73.9 -67.0 152.0 -17.6 44.6 -0.9 35 46 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.223 121.0 14.8 -51.2 132.7 -18.2 43.0 -4.3 36 47 A G T 3 S+ 0 0 6 1,-0.3 157,-0.4 -3,-0.1 2,-0.3 0.233 87.8 143.0 88.8 -12.8 -18.3 45.7 -7.1 37 48 A E < - 0 0 32 -3,-2.3 -1,-0.3 -30,-0.1 -4,-0.1 -0.450 50.1-128.5 -68.1 123.6 -16.7 48.4 -4.9 38 49 A R - 0 0 71 -2,-0.3 119,-0.1 155,-0.2 -1,-0.1 -0.463 28.4-110.0 -68.1 138.0 -14.3 50.7 -6.9 39 50 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 -0.290 19.7-126.4 -67.3 163.0 -10.9 51.0 -5.3 40 51 A b S S- 0 0 7 1,-0.1 2,-0.3 -31,-0.1 -16,-0.1 0.671 78.0 -21.3 -88.5 -22.3 -10.0 54.4 -3.9 41 52 A D S > S- 0 0 4 40,-0.1 4,-2.0 41,-0.1 40,-0.1 -0.905 84.5 -70.5-165.7-171.7 -6.7 55.0 -5.7 42 53 A A H > S+ 0 0 4 38,-0.4 4,-1.9 36,-0.4 5,-0.1 0.882 129.4 48.9 -63.5 -42.9 -4.0 53.1 -7.6 43 54 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 110.7 50.6 -62.3 -45.2 -2.6 51.5 -4.4 44 55 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.880 107.8 54.4 -59.7 -38.4 -6.1 50.4 -3.4 45 56 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.888 103.8 54.6 -63.1 -40.3 -6.5 48.9 -6.8 46 57 A e H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.924 110.9 46.3 -56.1 -46.1 -3.3 46.8 -6.4 47 58 A d H X S+ 0 0 7 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.871 106.7 58.1 -65.6 -39.5 -4.8 45.4 -3.1 48 59 A M H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.937 108.9 45.2 -54.5 -49.9 -8.2 44.7 -4.8 49 60 A V H X S+ 0 0 16 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.914 113.5 51.2 -59.7 -44.0 -6.5 42.5 -7.3 50 61 A H H X S+ 0 0 25 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.914 106.8 52.1 -61.2 -46.8 -4.4 40.8 -4.6 51 62 A D H X S+ 0 0 33 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 114.0 43.1 -59.7 -43.8 -7.4 40.0 -2.3 52 63 A H H X S+ 0 0 35 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.881 109.3 58.0 -68.8 -37.6 -9.3 38.3 -5.2 53 64 A f H < S+ 0 0 7 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.917 110.6 43.3 -57.3 -46.1 -6.1 36.5 -6.3 54 65 A V H ><>S+ 0 0 19 -4,-2.4 3,-1.6 1,-0.2 5,-1.5 0.922 111.9 54.8 -62.9 -45.4 -5.8 34.9 -2.9 55 66 A D H 3<5S+ 0 0 72 -4,-2.2 3,-0.4 1,-0.3 -2,-0.2 0.834 110.0 46.2 -57.2 -36.3 -9.6 34.2 -2.8 56 67 A T T 3<5S+ 0 0 8 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.270 105.1 61.8 -96.2 8.7 -9.3 32.3 -6.1 57 68 A H T X 5S- 0 0 27 -3,-1.6 3,-1.7 -5,-0.1 -1,-0.2 -0.368 128.6 -83.8-125.7 50.7 -6.3 30.3 -5.1 58 69 A N T 3 5S- 0 0 162 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.775 79.8 -65.7 59.1 34.0 -7.8 28.4 -2.2 59 70 A D T 3 - 0 0 25 -3,-2.0 4,-1.9 1,-0.2 5,-0.1 -0.449 50.7-146.8 -56.4 123.5 0.7 32.2 -3.5 64 75 A T H > S+ 0 0 36 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.818 93.2 53.3 -72.9 -33.4 3.8 33.6 -5.2 65 76 A M H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.957 109.0 49.5 -62.0 -52.2 2.0 34.9 -8.3 66 77 A f H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.925 118.0 40.5 -51.3 -48.5 -0.5 36.9 -6.2 67 78 A N H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.896 114.5 49.4 -73.8 -42.3 2.3 38.4 -4.1 68 79 A E H X S+ 0 0 76 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.898 110.8 51.8 -62.5 -41.3 4.8 39.0 -7.0 69 80 A N H X S+ 0 0 26 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.873 107.5 53.6 -61.2 -38.0 2.0 40.7 -9.0 70 81 A L H X S+ 0 0 8 -4,-1.5 4,-3.3 -5,-0.3 -2,-0.2 0.930 107.8 49.4 -62.4 -46.6 1.3 42.9 -5.9 71 82 A L H X S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.928 111.8 48.9 -57.8 -47.3 5.0 44.0 -5.7 72 83 A S H X S+ 0 0 27 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.919 114.2 46.4 -55.7 -47.0 4.9 44.8 -9.5 73 84 A e H >< S+ 0 0 24 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.940 110.5 51.7 -62.9 -51.2 1.7 46.8 -9.0 74 85 A I H >< S+ 0 0 11 -4,-3.3 3,-1.5 1,-0.3 -1,-0.2 0.876 104.8 57.1 -51.4 -44.4 2.9 48.7 -5.9 75 86 A D H 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.677 109.8 46.1 -63.7 -16.7 6.1 49.8 -7.7 76 87 A R T << S+ 0 0 87 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.3 0.133 79.7 134.4-116.7 19.1 4.0 51.4 -10.4 77 88 A V < + 0 0 34 -3,-1.5 2,-0.3 75,-0.1 75,-0.1 -0.531 25.6 143.3 -75.5 130.6 1.5 53.3 -8.3 78 89 A S + 0 0 88 73,-0.4 -36,-0.4 -2,-0.3 75,-0.1 -0.938 19.1 56.1-154.9 176.4 0.8 56.9 -9.3 79 90 A G S S- 0 0 71 -2,-0.3 2,-0.1 -38,-0.1 -2,-0.0 -0.307 85.6 -20.4 91.8-173.9 -1.8 59.7 -9.6 80 91 A A - 0 0 82 -2,-0.1 -38,-0.4 1,-0.1 2,-0.2 -0.345 56.5-144.2 -67.4 146.5 -4.2 61.3 -7.2 81 92 A T - 0 0 53 -40,-0.1 -40,-0.1 1,-0.1 -1,-0.1 -0.518 36.9 -77.4 -97.6 177.5 -5.2 59.6 -4.0 82 93 A F > - 0 0 16 -2,-0.2 3,-1.4 1,-0.1 -1,-0.1 -0.420 51.9 -98.6 -75.1 147.9 -8.7 59.8 -2.4 83 94 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.449 109.5 29.4 -64.9 141.7 -9.8 62.9 -0.5 84 95 A G T 3 S+ 0 0 51 1,-0.3 2,-0.8 -2,-0.1 -2,-0.1 0.541 77.7 155.0 84.1 7.8 -9.4 62.6 3.2 85 96 A N < - 0 0 25 -3,-1.4 -1,-0.3 1,-0.2 4,-0.1 -0.597 22.3-174.7 -69.4 107.4 -6.5 60.1 2.9 86 97 A K + 0 0 162 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.541 60.7 82.7 -80.7 -9.0 -4.7 60.5 6.3 87 98 A c S S- 0 0 12 -72,-0.0 2,-0.5 -73,-0.0 3,-0.1 -0.530 83.7-117.9 -91.2 160.6 -2.0 58.2 5.0 88 99 A N > - 0 0 95 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 -0.907 20.9-143.7 -95.3 124.9 1.0 58.9 2.8 89 100 A V H > S+ 0 0 40 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.937 97.1 41.2 -54.9 -56.8 0.8 56.9 -0.4 90 101 A G H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 116.7 49.8 -61.3 -42.7 4.5 56.2 -0.8 91 102 A Q H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 112.8 45.3 -60.3 -51.2 5.0 55.5 2.9 92 103 A T H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.899 111.2 53.9 -62.5 -41.1 2.0 53.0 3.1 93 104 A A H X S+ 0 0 9 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.877 106.8 52.1 -60.9 -37.7 3.1 51.3 -0.1 94 105 A S H X S+ 0 0 80 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.865 108.6 50.5 -67.8 -36.3 6.6 50.7 1.4 95 106 A V H X S+ 0 0 35 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.930 114.2 43.9 -65.6 -45.7 5.1 49.2 4.5 96 107 A I H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.939 111.5 55.5 -61.7 -46.0 2.9 46.8 2.4 97 108 A R H X S+ 0 0 66 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.889 103.6 53.7 -56.0 -45.4 5.9 46.1 0.1 98 109 A G H X S+ 0 0 32 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.911 111.9 44.3 -55.6 -47.0 8.1 45.0 3.1 99 110 A V H X S+ 0 0 65 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.885 113.1 50.3 -65.1 -43.3 5.5 42.4 4.2 100 111 A I H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.852 105.0 56.8 -69.6 -35.3 4.8 41.1 0.7 101 112 A E H X S+ 0 0 89 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.927 109.1 47.3 -55.5 -47.1 8.5 40.6 -0.0 102 113 A T H X S+ 0 0 96 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.878 110.4 52.6 -62.7 -39.6 8.6 38.4 3.1 103 114 A A H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.884 107.4 52.0 -62.4 -41.2 5.5 36.6 1.8 104 115 A V H X S+ 0 0 10 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.956 112.6 44.8 -60.4 -52.0 7.1 35.9 -1.6 105 116 A F H X S+ 0 0 134 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.921 112.9 50.6 -56.6 -48.5 10.2 34.4 0.1 106 117 A A H X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.903 112.6 47.9 -56.5 -43.4 8.0 32.3 2.5 107 118 A G H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.919 111.0 49.8 -61.8 -47.5 6.0 31.1 -0.5 108 119 A K H X S+ 0 0 93 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.902 110.6 50.3 -59.5 -44.8 9.2 30.2 -2.5 109 120 A I H X S+ 0 0 84 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.925 110.9 47.8 -58.7 -49.4 10.7 28.3 0.5 110 121 A L H < S+ 0 0 61 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.663 115.7 45.6 -69.2 -18.5 7.5 26.2 1.1 111 122 A H H < S+ 0 0 86 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.619 101.8 63.0-100.3 -17.9 7.2 25.4 -2.7 112 123 A K H < S+ 0 0 173 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.588 103.7 53.8 -74.4 -13.0 11.0 24.5 -3.1 113 124 A R < 0 0 175 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.750 360.0 360.0 -89.9 -31.0 10.2 21.7 -0.7 114 125 A D 0 0 148 -4,-0.3 -2,-0.2 0, 0.0 -3,-0.1 0.837 360.0 360.0-100.6 360.0 7.3 20.3 -2.7 115 !* 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 12 B A 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.3 7.9 42.9 -21.7 117 13 B K + 0 0 99 1,-0.1 0, 0.0 33,-0.0 0, 0.0 0.770 360.0 45.7-103.6 -38.2 5.4 43.5 -18.9 118 14 B D S S+ 0 0 52 31,-0.1 2,-0.3 2,-0.0 3,-0.2 0.202 104.1 80.6 -93.2 13.8 4.8 47.3 -19.3 119 15 B Q S S+ 0 0 155 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.847 81.3 30.6-117.4 156.4 4.4 47.0 -23.1 120 16 B G S S+ 0 0 94 -2,-0.3 2,-0.3 1,-0.3 27,-0.2 0.731 99.9 102.0 72.7 25.7 1.4 45.9 -25.2 121 17 B g S S- 0 0 42 -3,-0.2 2,-0.3 25,-0.1 -1,-0.3 -0.850 71.5 -98.2-139.0 166.5 -1.0 47.2 -22.7 122 18 B S B +d 148 0C 10 25,-3.1 27,-2.1 18,-0.4 30,-0.1 -0.710 26.7 170.2 -97.8 140.2 -3.3 50.2 -22.1 123 19 B R + 0 0 114 -2,-0.3 2,-0.4 25,-0.2 -1,-0.1 0.143 65.0 83.7-116.6 13.2 -2.7 53.4 -20.1 124 20 B T S S- 0 0 83 15,-0.1 2,-1.0 16,-0.1 31,-0.1 -0.931 80.4-120.1-126.4 140.8 -5.8 55.1 -21.5 125 21 B h - 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0 0 38 -2,-0.3 -25,-3.1 -27,-0.2 -6,-0.2 -0.984 40.4 -98.2-154.1 163.5 -5.7 45.1 -20.6 148 44 B G B -d 122 0C 8 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.484 42.2-102.7 -85.1 151.9 -4.1 47.8 -18.5 149 45 B g > - 0 0 1 -27,-2.1 3,-2.2 -2,-0.2 -31,-0.1 -0.350 57.5 -74.5 -66.6 152.4 -0.4 48.1 -17.9 150 46 B P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.241 120.7 14.1 -49.1 129.3 0.9 47.0 -14.4 151 47 B G T 3 S+ 0 0 6 1,-0.3 -73,-0.4 -3,-0.1 2,-0.3 0.243 87.5 142.1 88.4 -12.8 -0.1 49.5 -11.7 152 48 B E < - 0 0 33 -3,-2.2 -1,-0.3 -30,-0.1 -4,-0.1 -0.475 51.4-127.3 -67.7 124.2 -2.6 51.4 -13.9 153 49 B R - 0 0 68 -2,-0.3 -111,-0.1 -75,-0.1 -13,-0.1 -0.476 28.9-109.6 -68.1 137.7 -5.7 52.5 -11.9 154 50 B P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.286 19.8-126.1 -64.2 160.1 -9.0 51.4 -13.4 155 51 B h S S- 0 0 8 1,-0.1 2,-0.3 -31,-0.1 -16,-0.1 0.683 77.7 -23.8 -86.3 -23.1 -11.1 54.2 -14.9 156 52 B D S > S- 0 0 2 40,-0.1 4,-2.0 1,-0.1 40,-0.1 -0.911 84.3 -68.2-167.6-169.4 -14.3 53.4 -13.0 157 53 B A H > S+ 0 0 5 38,-0.5 4,-1.7 36,-0.3 5,-0.1 0.904 128.8 48.3 -65.7 -45.4 -16.2 50.6 -11.2 158 54 B L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 111.4 50.7 -59.6 -45.1 -16.8 48.5 -14.3 159 55 B D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.876 106.7 55.4 -59.4 -39.4 -13.2 48.9 -15.4 160 56 B A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.879 104.0 54.2 -61.9 -38.3 -12.1 47.7 -11.9 161 57 B k H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.907 110.0 46.9 -59.7 -44.4 -14.2 44.5 -12.4 162 58 B j H X S+ 0 0 6 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.882 106.9 57.9 -65.4 -39.4 -12.4 43.8 -15.6 163 59 B M H X S+ 0 0 4 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.931 108.3 45.5 -56.1 -49.9 -9.0 44.5 -14.0 164 60 B V H X S+ 0 0 16 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.932 113.9 50.5 -58.5 -46.5 -9.6 41.8 -11.4 165 61 B H H X S+ 0 0 26 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.911 107.5 52.2 -59.6 -46.6 -10.8 39.4 -14.1 166 62 B D H X S+ 0 0 34 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.912 114.2 43.0 -58.7 -44.0 -7.8 39.9 -16.4 167 63 B H H X S+ 0 0 39 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.894 109.9 56.8 -68.9 -40.1 -5.4 39.1 -13.6 168 64 B l H < S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 110.2 45.1 -55.0 -46.7 -7.6 36.2 -12.4 169 65 B V H ><>S+ 0 0 18 -4,-2.5 5,-1.3 1,-0.2 3,-1.3 0.917 112.0 52.5 -63.7 -43.6 -7.2 34.6 -15.9 170 66 B D H 3<5S+ 0 0 75 -4,-2.0 3,-0.5 1,-0.3 4,-0.2 0.851 110.7 47.2 -60.2 -38.3 -3.5 35.4 -16.0 171 67 B T T 3<5S+ 0 0 6 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.306 105.3 61.8 -90.7 7.2 -2.9 33.7 -12.6 172 68 B H T X 5S- 0 0 24 -3,-1.3 3,-1.6 -4,-0.2 -1,-0.2 -0.346 128.6 -84.4-124.9 50.2 -5.0 30.6 -13.6 173 69 B N T 3 5S- 0 0 158 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.822 79.5 -67.5 54.7 38.6 -2.8 29.4 -16.5 174 70 B D T 3 - 0 0 26 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 -0.462 49.9-145.8 -57.4 125.7 -12.1 29.4 -15.2 179 75 B T H > S+ 0 0 39 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.836 93.7 52.5 -72.9 -34.9 -15.5 29.4 -13.4 180 76 B M H > S+ 0 0 71 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.951 109.8 48.9 -61.0 -52.1 -14.3 31.4 -10.3 181 77 B l H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.928 118.0 40.4 -53.0 -49.2 -12.8 34.2 -12.5 182 78 B N H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.886 114.5 49.9 -73.5 -41.6 -16.0 34.5 -14.5 183 79 B E H X S+ 0 0 73 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.882 110.6 51.6 -63.1 -38.8 -18.5 34.1 -11.6 184 80 B N H X S+ 0 0 28 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.872 107.1 53.6 -65.9 -36.5 -16.6 36.8 -9.7 185 81 B L H X S+ 0 0 7 -4,-1.5 4,-3.2 -5,-0.2 -2,-0.2 0.899 108.0 49.8 -62.3 -42.4 -16.9 39.1 -12.7 186 82 B L H X S+ 0 0 21 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 111.4 48.9 -60.4 -46.2 -20.7 38.6 -12.9 187 83 B S H < S+ 0 0 25 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.884 114.6 45.7 -60.5 -40.5 -20.9 39.4 -9.1 188 84 B k H >< S+ 0 0 14 -4,-2.2 3,-1.3 2,-0.2 4,-0.3 0.946 112.3 50.0 -67.7 -50.6 -18.8 42.5 -9.6 189 85 B I H >< S+ 0 0 13 -4,-3.2 3,-1.3 1,-0.3 -2,-0.2 0.869 105.5 58.4 -53.1 -43.0 -20.7 43.7 -12.7 190 86 B D T 3< S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.683 110.6 42.7 -64.7 -18.5 -24.0 43.2 -10.9 191 87 B R T < S+ 0 0 84 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.270 81.3 132.5-113.6 10.0 -22.9 45.7 -8.2 192 88 B V < + 0 0 31 -3,-1.3 2,-0.3 -4,-0.3 -155,-0.1 -0.434 26.4 141.9 -67.6 128.0 -21.3 48.4 -10.4 193 89 B S + 0 0 92 -157,-0.4 -36,-0.3 -2,-0.2 -155,-0.2 -0.941 19.8 60.9-153.7 175.6 -22.4 52.0 -9.6 194 90 B G S S- 0 0 72 -2,-0.3 -2,-0.0 -38,-0.1 -38,-0.0 -0.418 83.7 -25.9 99.8-172.9 -21.1 55.5 -9.3 195 91 B A - 0 0 88 -2,-0.1 -38,-0.5 1,-0.1 2,-0.2 -0.164 55.5-143.3 -67.7 165.0 -19.6 58.0 -11.7 196 92 B T - 0 0 51 -40,-0.1 -40,-0.1 1,-0.1 -1,-0.1 -0.630 34.8 -71.5-117.5-175.6 -17.6 57.0 -14.8 197 93 B F > - 0 0 15 -2,-0.2 3,-1.4 1,-0.1 -1,-0.1 -0.496 56.9 -93.5 -80.3 147.6 -14.6 58.6 -16.5 198 94 B P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.312 109.3 20.2 -60.3 139.0 -14.7 61.9 -18.4 199 95 B G T 3 S+ 0 0 70 1,-0.2 2,-0.5 -3,-0.1 -2,-0.0 0.565 79.4 164.1 78.4 10.8 -15.3 61.6 -22.1 200 96 B N < - 0 0 26 -3,-1.4 -1,-0.2 1,-0.2 4,-0.1 -0.486 20.7-170.1 -63.2 110.7 -16.8 58.1 -21.8 201 97 B K + 0 0 135 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.2 0.672 63.8 79.0 -77.6 -18.1 -18.5 57.5 -25.2 202 98 B i S S- 0 0 10 -72,-0.0 2,-0.5 -3,-0.0 3,-0.1 -0.540 84.5-119.8 -87.7 156.0 -20.1 54.3 -23.9 203 99 B N > - 0 0 100 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.875 23.3-139.4 -90.9 125.7 -23.1 54.0 -21.6 204 100 B V H > S+ 0 0 39 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.927 98.2 44.7 -54.1 -58.3 -22.0 52.2 -18.4 205 101 B G H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 114.1 51.4 -55.7 -39.2 -25.1 50.0 -17.9 206 102 B Q H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 112.4 43.3 -66.0 -47.9 -25.1 49.0 -21.6 207 103 B T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.920 111.7 54.8 -65.4 -43.3 -21.5 48.0 -21.8 208 104 B A H X S+ 0 0 10 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.876 108.0 50.8 -54.7 -39.5 -21.7 46.2 -18.5 209 105 B S H X S+ 0 0 81 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.848 107.9 51.3 -69.5 -37.3 -24.7 44.2 -20.0 210 106 B V H X S+ 0 0 34 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.929 114.2 44.1 -63.6 -47.0 -22.7 43.2 -23.1 211 107 B I H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 111.5 54.5 -61.7 -47.7 -19.9 42.0 -21.0 212 108 B R H X S+ 0 0 65 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.885 105.9 52.4 -54.7 -44.1 -22.3 40.2 -18.6 213 109 B G H X S+ 0 0 29 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.913 111.5 45.0 -60.0 -45.8 -23.9 38.3 -21.5 214 110 B V H X S+ 0 0 67 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.892 114.9 48.6 -64.8 -41.2 -20.6 37.0 -22.8 215 111 B I H X S+ 0 0 18 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.847 106.3 55.5 -71.3 -36.7 -19.4 36.0 -19.3 216 112 B E H X S+ 0 0 94 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.931 110.1 47.7 -54.9 -48.2 -22.7 34.2 -18.5 217 113 B T H X S+ 0 0 97 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.883 110.0 52.7 -59.2 -40.6 -22.0 32.1 -21.6 218 114 B A H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.874 107.2 51.4 -66.2 -39.2 -18.4 31.6 -20.4 219 115 B V H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.937 112.4 46.4 -60.2 -48.6 -19.6 30.4 -17.0 220 116 B F H X S+ 0 0 140 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.923 112.9 48.7 -59.4 -49.0 -22.0 27.9 -18.7 221 117 B A H X S+ 0 0 33 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.907 112.8 49.0 -58.2 -44.6 -19.3 26.7 -21.2 222 118 B G H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.931 112.8 46.1 -60.0 -50.4 -16.8 26.3 -18.3 223 119 B K H < S+ 0 0 97 -4,-2.7 4,-0.4 1,-0.2 3,-0.3 0.929 111.1 52.7 -58.5 -49.8 -19.3 24.3 -16.2 224 120 B I H >< S+ 0 0 85 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.870 113.8 43.2 -52.4 -43.7 -20.3 22.1 -19.1 225 121 B L H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.709 112.0 53.5 -79.1 -22.4 -16.6 21.2 -19.8 226 122 B H T 3< S+ 0 0 85 -4,-1.5 3,-0.3 -3,-0.3 -1,-0.2 0.298 92.7 73.3 -97.1 7.9 -15.8 20.7 -16.1 227 123 B K S < S+ 0 0 167 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.763 94.9 50.7 -86.8 -29.7 -18.6 18.2 -15.5 228 124 B R 0 0 178 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.124 360.0 360.0 -93.8 19.9 -16.8 15.4 -17.4 229 125 B D 0 0 132 -3,-0.3 -3,-0.1 0, 0.0 -2,-0.1 0.141 360.0 360.0-121.8 360.0 -13.6 15.8 -15.5