==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-92 1POB . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR S.P.WHITE,D.L.SCOTT,Z.OTWINOWSKI,P.B.SIGLER . 236 2 13 13 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.8 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 . 18 7.6 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 36.4 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+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 2 0 0 0 0 0 0 2 0 0 0 0 2 1 1 0 0 0 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 . 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A N >> 0 0 33 0, 0.0 4,-1.8 0, 0.0 3,-1.5 0.000 360.0 360.0 360.0 151.5 8.4 4.9 40.9 2 2 A L H 3> + 0 0 93 61,-2.0 4,-1.8 1,-0.3 5,-0.1 0.675 360.0 57.4 -52.4 -28.4 11.2 7.2 40.0 3 3 A Y H 3> S+ 0 0 171 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.883 110.1 45.6 -70.9 -36.5 13.9 4.6 40.9 4 4 A Q H <> S+ 0 0 36 -3,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.855 109.9 53.6 -72.7 -38.4 12.4 2.2 38.4 5 5 A F H X S+ 0 0 23 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.901 105.0 55.1 -62.7 -41.9 12.1 5.0 35.8 6 6 A K H X S+ 0 0 63 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.863 109.5 47.6 -56.8 -38.8 15.8 5.7 36.2 7 7 A N H X S+ 0 0 72 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.806 106.2 57.3 -75.7 -31.6 16.5 2.1 35.5 8 8 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.889 106.4 49.5 -63.7 -40.5 14.2 2.2 32.4 9 9 A I H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.799 107.2 55.6 -67.8 -31.2 16.4 5.0 31.0 10 10 A Q H < S+ 0 0 85 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.821 105.4 54.3 -66.1 -36.0 19.4 2.9 31.7 11 11 A a H < S+ 0 0 14 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 121.0 26.3 -64.5 -49.2 17.7 0.2 29.6 12 12 A T H < S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.688 133.7 30.6 -95.6 -22.7 17.2 2.4 26.5 13 13 A V >< + 0 0 16 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 -0.582 64.0 159.4-136.3 74.6 20.0 5.0 26.8 14 14 A P T 3 + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.754 69.2 64.4 -65.4 -28.5 22.9 3.2 28.7 15 15 A S T 3 S+ 0 0 113 -3,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.406 96.9 63.3 -79.6 -2.4 25.5 5.7 27.4 16 16 A R S < S- 0 0 71 -3,-1.1 2,-0.2 -7,-0.2 -3,-0.1 -0.946 82.6-118.7-127.8 143.6 24.0 8.7 29.2 17 17 A S > - 0 0 51 -2,-0.4 3,-1.8 1,-0.1 4,-0.3 -0.596 22.0-128.6 -78.3 142.1 23.6 9.4 33.0 18 18 A W G >> S+ 0 0 76 1,-0.3 3,-2.2 -2,-0.2 4,-0.5 0.813 106.0 74.1 -58.7 -28.7 20.0 9.9 34.0 19 19 A W G >4 S+ 0 0 151 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.763 84.2 65.7 -53.7 -29.8 21.2 13.1 35.6 20 20 A D G <4 S+ 0 0 47 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.670 103.9 44.4 -69.9 -18.9 21.4 14.6 32.1 21 21 A F G <4 S+ 0 0 13 -3,-2.2 3,-0.5 -4,-0.3 -1,-0.2 0.475 94.3 79.9-101.9 -7.4 17.7 14.4 31.7 22 22 A A S << S+ 0 0 39 -3,-0.8 8,-0.3 -4,-0.5 -2,-0.2 0.667 105.6 25.2 -79.4 -17.8 16.8 15.7 35.2 23 23 A D S S+ 0 0 52 -4,-0.4 88,-2.5 6,-0.1 2,-0.4 -0.534 89.8 130.3-147.4 74.8 17.3 19.5 34.3 24 24 A Y B >> -AB 28 110A 0 4,-2.1 4,-1.9 -3,-0.5 3,-0.5 -0.997 61.9 -31.4-140.1 131.5 16.8 19.9 30.6 25 25 A G T 34 S- 0 0 2 84,-3.0 87,-0.3 -2,-0.4 86,-0.1 -0.239 99.5 -52.0 63.9-148.7 14.7 22.2 28.5 26 26 A b T 34 S+ 0 0 10 9,-0.1 7,-1.1 91,-0.1 -1,-0.2 0.500 135.0 31.4 -98.7 -8.6 11.5 23.6 29.8 27 27 A Y T <4 S+ 0 0 26 -3,-0.5 2,-0.8 5,-0.2 -2,-0.2 0.671 86.0 92.8-127.0 -26.1 9.9 20.2 30.8 28 28 A c B < S+A 24 0A 7 -4,-1.9 -4,-2.1 2,-0.1 2,-0.2 -0.696 85.5 38.0 -80.9 111.5 12.5 17.6 31.8 29 29 A G S S- 0 0 33 -2,-0.8 2,-0.3 -6,-0.2 -6,-0.1 -0.798 116.3 -24.8 136.4-175.5 12.7 18.0 35.6 30 30 A R S S- 0 0 225 -8,-0.3 2,-0.1 -2,-0.2 -2,-0.1 -0.507 117.3 -19.7 -68.4 125.0 10.0 18.7 38.3 31 31 A G S S- 0 0 43 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.311 72.3-160.7 75.9-159.3 7.1 20.5 36.6 32 32 A G + 0 0 42 -4,-0.1 2,-0.3 -2,-0.1 -5,-0.2 -0.605 15.6 167.6 150.6 152.3 7.4 22.4 33.3 33 33 A S + 0 0 73 -7,-1.1 2,-0.2 -2,-0.2 12,-0.0 -0.952 39.1 56.2-172.0 170.4 5.8 25.0 31.1 34 34 A G S S- 0 0 35 -2,-0.3 84,-0.1 2,-0.0 80,-0.0 -0.556 96.6 -29.0 93.4-159.6 6.3 27.2 28.0 35 35 A T - 0 0 67 82,-0.3 -9,-0.1 -2,-0.2 -2,-0.1 -0.803 69.6-107.7 -93.6 126.6 7.3 25.9 24.5 36 36 A P - 0 0 23 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.331 24.9-143.9 -52.9 140.2 9.2 22.6 24.3 37 37 A V - 0 0 13 1,-0.1 2,-0.3 72,-0.1 -12,-0.1 0.683 68.1 -24.5 -84.0 -26.1 12.7 23.5 23.3 38 38 A D S > S- 0 0 4 71,-0.1 4,-1.5 1,-0.0 5,-0.1 -0.920 84.7 -68.2-168.3-171.2 13.4 20.5 21.1 39 39 A D H > S+ 0 0 76 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.873 127.5 53.0 -65.3 -39.4 12.3 16.9 20.6 40 40 A L H > S+ 0 0 0 64,-0.4 4,-1.3 1,-0.2 3,-0.3 0.912 108.6 51.2 -61.8 -42.3 13.8 15.6 23.8 41 41 A D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 106.1 55.5 -62.2 -34.9 11.9 18.3 25.7 42 42 A R H X S+ 0 0 102 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.790 100.2 59.6 -70.5 -28.0 8.7 17.2 24.0 43 43 A d H X S+ 0 0 4 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.927 109.9 42.8 -62.2 -42.9 9.3 13.7 25.4 44 44 A c H X S+ 0 0 5 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.871 110.4 54.9 -70.6 -41.5 9.2 15.2 28.9 45 45 A Q H X S+ 0 0 58 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.922 112.1 44.4 -58.6 -44.0 6.2 17.4 28.1 46 46 A V H X S+ 0 0 95 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.893 113.3 51.3 -66.4 -41.1 4.2 14.3 26.9 47 47 A H H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.891 107.6 52.3 -62.9 -45.1 5.5 12.4 30.0 48 48 A D H X S+ 0 0 35 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.903 110.5 48.0 -58.3 -42.9 4.3 15.1 32.3 49 49 A N H X S+ 0 0 87 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.842 108.0 55.7 -69.0 -32.4 0.9 15.0 30.8 50 50 A e H X S+ 0 0 36 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.888 108.2 47.9 -65.5 -41.4 0.8 11.2 31.1 51 51 A Y H X S+ 0 0 15 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.893 107.8 55.0 -65.3 -43.2 1.5 11.5 34.8 52 52 A N H < S+ 0 0 84 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.801 109.3 48.7 -60.6 -31.6 -1.3 14.1 35.2 53 53 A E H >< S+ 0 0 107 -4,-1.3 3,-1.0 1,-0.2 -1,-0.2 0.861 109.4 51.3 -74.9 -39.3 -3.6 11.6 33.5 54 54 A A H >< S+ 0 0 3 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.748 99.5 65.6 -69.4 -26.6 -2.5 8.9 35.9 55 55 A E T 3< S+ 0 0 91 -4,-1.7 5,-0.3 1,-0.3 -1,-0.2 0.637 86.8 70.0 -72.1 -15.7 -3.1 11.2 38.9 56 56 A K T < S+ 0 0 149 -3,-1.0 2,-0.6 -4,-0.2 -1,-0.3 0.635 77.3 93.3 -77.2 -15.1 -6.9 11.1 38.0 57 57 A I S X S- 0 0 56 -3,-1.3 3,-2.2 -4,-0.2 -3,-0.0 -0.719 96.6-107.1 -78.2 119.4 -6.9 7.5 39.2 58 58 A S T 3 S+ 0 0 119 -2,-0.6 27,-0.1 1,-0.3 3,-0.1 -0.273 101.2 9.8 -58.0 129.8 -7.8 7.7 42.8 59 59 A G T 3 S+ 0 0 64 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.568 96.0 138.0 77.2 15.1 -4.9 7.0 45.2 60 60 A f < + 0 0 2 -3,-2.2 -1,-0.2 -5,-0.3 -3,-0.1 -0.839 24.5 171.5-100.0 116.6 -2.5 7.1 42.2 61 61 A W >> - 0 0 162 -2,-0.7 4,-2.0 1,-0.1 3,-1.3 -0.921 15.9-162.6-122.6 99.1 0.8 9.0 42.8 62 62 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.835 84.7 59.4 -52.8 -43.2 3.1 8.4 39.7 63 63 A Y T 34 S+ 0 0 90 1,-0.2 -61,-2.0 -62,-0.1 -12,-0.0 0.815 119.2 27.5 -55.8 -33.4 6.3 9.4 41.4 64 64 A F T <4 S+ 0 0 158 -3,-1.3 2,-0.3 -63,-0.2 -1,-0.2 0.648 89.3 107.2-109.3 -21.7 6.0 6.8 44.2 65 65 A K < - 0 0 74 -4,-2.0 2,-0.3 20,-0.1 -5,-0.0 -0.487 58.0-145.1 -71.7 123.9 3.9 3.8 42.7 66 66 A T - 0 0 82 -2,-0.3 2,-0.3 -62,-0.0 20,-0.1 -0.680 22.4-179.6 -87.8 140.2 6.1 0.8 42.0 67 67 A Y - 0 0 9 -2,-0.3 2,-0.5 -66,-0.1 13,-0.1 -0.805 27.9-105.6-132.8 170.8 5.2 -1.3 39.0 68 68 A S + 0 0 41 11,-0.4 11,-2.2 -2,-0.3 2,-0.3 -0.900 49.5 139.3-105.6 134.5 6.4 -4.5 37.3 69 69 A Y E -C 78 0B 56 -2,-0.5 2,-0.4 9,-0.3 9,-0.3 -0.952 33.7-139.6-160.5 165.5 8.3 -4.3 34.0 70 70 A E E -C 77 0B 91 7,-2.6 7,-1.9 -2,-0.3 2,-0.5 -0.995 6.4-144.2-138.8 143.6 11.3 -6.0 32.4 71 71 A a E +C 76 0B 61 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.935 21.1 178.0-106.0 125.4 14.1 -4.6 30.2 72 72 A S E > -C 75 0B 41 3,-2.9 3,-2.3 -2,-0.5 2,-0.9 -0.958 65.2 -39.3-135.8 116.0 15.3 -7.0 27.5 73 73 A Q T 3 S- 0 0 172 -2,-0.4 -2,-0.0 1,-0.3 3,-0.0 -0.648 122.9 -38.0 69.7-104.3 18.0 -5.9 25.1 74 74 A G T 3 S+ 0 0 41 -2,-0.9 2,-0.3 -62,-0.0 -1,-0.3 0.047 118.7 102.7-134.2 17.5 16.9 -2.2 24.7 75 75 A T E < -C 72 0B 76 -3,-2.3 -3,-2.9 -64,-0.0 2,-0.4 -0.820 56.8-149.1-108.7 148.3 13.2 -2.9 24.7 76 76 A L E +C 71 0B 12 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.918 15.0 176.5-120.3 138.7 10.8 -2.3 27.6 77 77 A T E -C 70 0B 63 -7,-1.9 -7,-2.6 -2,-0.4 2,-0.3 -0.979 25.9-131.8-146.7 134.7 7.6 -4.1 28.7 78 78 A g E -C 69 0B 38 -2,-0.3 -9,-0.3 -9,-0.3 2,-0.2 -0.636 34.6-157.4 -80.8 136.9 5.3 -3.7 31.6 79 79 A K > - 0 0 108 -11,-2.2 3,-0.7 -2,-0.3 -11,-0.4 -0.465 22.5 -62.0-115.1-178.9 4.4 -7.1 33.3 80 80 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 -0.117 100.7 55.6 -61.4 156.0 1.8 -8.8 35.5 81 81 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -14,-0.0 -1,-0.2 0.163 73.1 128.4 105.4 -12.4 1.0 -7.7 39.0 82 82 A N < - 0 0 39 -3,-0.7 -1,-0.3 -14,-0.1 2,-0.1 -0.562 45.0-151.4 -80.0 135.7 0.2 -4.1 38.2 83 83 A N > - 0 0 82 -2,-0.3 4,-2.6 -3,-0.1 5,-0.3 -0.252 47.0 -77.9 -88.0-174.9 -3.1 -2.6 39.4 84 84 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.892 133.1 44.7 -55.7 -43.5 -4.8 0.3 37.5 85 85 A f H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 114.2 46.9 -67.1 -50.6 -2.3 2.9 38.9 86 86 A A H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 112.5 50.6 -59.5 -43.6 0.9 0.9 38.4 87 87 A A H X S+ 0 0 45 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.926 111.7 47.1 -60.7 -48.4 -0.1 -0.1 34.8 88 88 A A H X S+ 0 0 30 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.890 116.8 43.4 -61.5 -43.8 -0.8 3.5 33.9 89 89 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.894 111.1 53.7 -71.6 -42.9 2.4 4.8 35.4 90 90 A g H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.921 110.6 47.8 -56.9 -44.8 4.5 2.0 34.0 91 91 A D H X S+ 0 0 67 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.910 109.6 52.5 -63.5 -44.6 3.2 2.8 30.5 92 92 A e H X S+ 0 0 4 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.911 115.4 40.8 -55.7 -47.5 3.9 6.5 31.0 93 93 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.872 111.6 57.1 -69.8 -40.6 7.5 5.8 32.0 94 94 A R H X S+ 0 0 70 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.933 109.6 43.9 -53.3 -55.0 7.9 3.1 29.3 95 95 A L H X S+ 0 0 76 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.828 112.2 53.8 -62.0 -39.5 7.0 5.5 26.5 96 96 A A H X S+ 0 0 3 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.895 108.9 47.0 -66.6 -43.3 9.2 8.3 27.9 97 97 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.830 112.8 50.1 -69.4 -33.5 12.4 6.2 28.1 98 98 A I H < S+ 0 0 72 -4,-1.6 4,-0.4 -5,-0.2 -2,-0.2 0.878 110.9 50.6 -70.2 -38.3 11.7 4.9 24.5 99 99 A d H >< S+ 0 0 52 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.918 105.6 54.6 -65.5 -46.3 11.3 8.5 23.4 100 100 A F H >< S+ 0 0 10 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.831 103.1 57.4 -56.7 -36.8 14.5 9.7 25.0 101 101 A A T 3< S+ 0 0 53 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.646 108.5 46.6 -71.3 -15.8 16.5 7.1 23.1 102 102 A G T < S+ 0 0 70 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.382 98.7 82.3-108.7 2.0 15.2 8.5 19.8 103 103 A A S < S- 0 0 18 -3,-0.9 2,-0.1 -4,-0.4 -65,-0.0 -0.893 80.4-115.9-113.8 136.3 15.8 12.2 20.4 104 104 A P - 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0 0 108 -11,-1.7 3,-0.5 -2,-0.3 -11,-0.3 -0.377 24.2 -58.2-113.1-173.4 31.4 56.6 9.4 199 80 B G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.317 100.3 54.6 -74.6 150.7 30.6 59.8 7.5 200 81 B G T 3 S+ 0 0 82 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.314 73.2 132.7 109.2 1.3 28.6 60.1 4.3 201 82 B N < - 0 0 39 -3,-0.5 -1,-0.3 -14,-0.1 2,-0.1 -0.699 43.1-152.6 -88.7 130.7 25.5 58.4 5.7 202 83 B N > - 0 0 85 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.246 47.7 -80.0 -83.0-179.0 22.0 59.9 5.3 203 84 B A H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.865 132.3 46.6 -53.5 -43.7 19.3 59.1 7.8 204 85 B m H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.943 112.8 46.4 -63.4 -54.8 18.6 55.7 6.2 205 86 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.853 111.7 53.4 -60.4 -37.1 22.2 54.6 5.9 206 87 B A H X S+ 0 0 47 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.907 111.8 45.0 -63.8 -44.3 22.9 55.7 9.5 207 88 B A H X S+ 0 0 31 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.925 116.7 41.6 -69.3 -48.7 20.0 53.6 10.9 208 89 B V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.879 112.7 56.0 -73.1 -30.5 20.5 50.4 9.0 209 90 B C H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.908 109.0 47.5 -61.6 -40.0 24.3 50.7 9.6 210 91 B D H X S+ 0 0 67 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.889 111.1 51.5 -68.3 -39.1 23.5 50.9 13.3 211 92 B l H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 113.7 43.4 -59.9 -50.0 21.2 47.8 13.0 212 93 B D H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.880 112.2 53.1 -65.1 -44.2 23.9 45.8 11.2 213 94 B R H X S+ 0 0 65 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.957 111.5 45.0 -56.6 -55.7 26.7 46.9 13.6 214 95 B L H X S+ 0 0 77 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.839 114.6 49.9 -59.5 -37.6 24.7 45.9 16.7 215 96 B A H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.925 110.6 47.4 -71.2 -44.5 23.7 42.5 15.1 216 97 B A H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.802 113.3 50.3 -67.1 -27.8 27.2 41.6 14.0 217 98 B I H X S+ 0 0 69 -4,-1.7 4,-0.6 -5,-0.2 -1,-0.2 0.882 110.7 49.6 -75.2 -39.0 28.4 42.5 17.5 218 99 B k H >< S+ 0 0 51 -4,-1.9 3,-1.2 1,-0.2 4,-0.5 0.903 103.8 58.9 -63.6 -47.3 25.7 40.3 19.0 219 100 B F H >< S+ 0 0 10 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.821 101.6 55.9 -53.8 -35.4 26.5 37.3 16.8 220 101 B A H 3< S+ 0 0 57 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.759 108.4 45.9 -71.8 -26.0 30.0 37.2 18.2 221 102 B G T << S+ 0 0 74 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.347 99.1 81.4-101.9 5.4 28.9 37.0 21.9 222 103 B A S < S- 0 0 16 -3,-0.7 2,-0.1 -4,-0.5 -65,-0.0 -0.914 82.7-117.2-112.5 133.6 26.3 34.2 21.4 223 104 B P - 0 0 79 0, 0.0 2,-0.6 0, 0.0 -64,-0.4 -0.472 25.1-129.3 -66.8 144.8 27.1 30.5 21.2 224 105 B Y - 0 0 38 -2,-0.1 2,-0.7 -65,-0.1 3,-0.1 -0.876 19.5-162.1 -98.9 119.7 26.3 28.9 17.8 225 106 B N > - 0 0 23 -2,-0.6 3,-2.5 1,-0.1 4,-0.2 -0.900 9.5-159.0-107.1 110.5 24.3 25.7 18.3 226 107 B D G > S+ 0 0 110 -2,-0.7 3,-1.9 1,-0.3 -1,-0.1 0.813 91.3 68.2 -57.2 -32.1 24.3 23.4 15.2 227 108 B N G 3 S+ 0 0 50 1,-0.3 -1,-0.3 -3,-0.1 -121,-0.0 0.619 96.8 55.8 -63.9 -11.5 21.2 21.7 16.4 228 109 B D G < S+ 0 0 1 -3,-2.5 -84,-3.4 3,-0.1 3,-0.5 0.400 83.4 104.8-104.6 2.1 19.4 25.1 15.7 229 110 B Y B < S-E 143 0C 77 -3,-1.9 -86,-0.3 1,-0.3 -89,-0.1 -0.673 92.7 -3.9 -86.2 136.3 20.4 25.3 12.0 230 111 B N S S+ 0 0 109 -88,-3.0 -1,-0.3 -2,-0.3 2,-0.2 0.941 89.3 172.8 45.3 66.8 17.8 24.6 9.4 231 112 B I - 0 0 18 -3,-0.5 2,-1.2 -87,-0.3 -1,-0.1 -0.590 46.9 -87.8 -97.4 162.8 15.0 23.6 11.8 232 113 B N > - 0 0 101 -2,-0.2 4,-2.6 1,-0.2 3,-0.5 -0.648 38.9-167.6 -74.1 98.2 11.4 22.9 11.1 233 114 B L H > S+ 0 0 85 -2,-1.2 4,-1.9 1,-0.3 -1,-0.2 0.812 86.8 57.3 -56.7 -35.6 10.0 26.4 11.4 234 115 B K H 4 S+ 0 0 179 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.858 113.0 38.1 -64.5 -41.9 6.6 24.8 11.4 235 116 B A H 4 S+ 0 0 52 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.886 127.9 28.6 -79.3 -42.9 7.3 22.6 14.4 236 117 B R H < 0 0 47 -4,-2.6 -82,-0.3 -92,-0.1 -3,-0.2 0.627 360.0 360.0-103.5 -10.7 9.4 25.0 16.5 237 118 B i < 0 0 62 -4,-1.9 -84,-0.3 -5,-0.3 -93,-0.0 -0.221 360.0 360.0-121.7 360.0 8.3 28.6 15.7