==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-MAR-08 3CLI . COMPND 2 MOLECULE: ALLENE OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR D.-S.LEE,P.NIOCHE,C.S.RAMAN . 930 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 673 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 7.4 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 40 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.9 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 3 3 0 2 1 1 2 2 6 2 0 2 2 4 2 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 0 4 0 2 4 0 0 1 1 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 2 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 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 52 A L 0 0 101 0, 0.0 354,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.5 -28.4 44.2 36.4 2 53 A P - 0 0 83 0, 0.0 354,-2.7 0, 0.0 2,-0.5 -0.453 360.0-118.9 -67.2 142.1 -30.5 43.8 33.3 3 54 A I B -a 356 0A 103 352,-0.2 2,-0.4 -2,-0.1 354,-0.2 -0.764 36.2-167.1 -79.2 128.4 -30.4 40.3 31.6 4 55 A R - 0 0 90 352,-2.8 354,-0.5 -2,-0.5 2,-0.2 -0.918 26.3-110.9-116.2 144.1 -29.0 40.7 28.1 5 56 A N - 0 0 145 -2,-0.4 352,-0.0 352,-0.1 0, 0.0 -0.535 44.4-106.7 -59.9 136.1 -28.9 38.2 25.3 6 57 A I - 0 0 8 352,-0.2 40,-0.2 -2,-0.2 -1,-0.1 -0.601 43.0-142.1 -70.1 115.5 -25.2 37.1 24.7 7 58 A P + 0 0 21 0, 0.0 40,-2.9 0, 0.0 34,-0.1 -0.181 54.1 61.4 -75.9 173.3 -24.3 38.9 21.5 8 59 A G - 0 0 21 38,-0.2 2,-0.3 29,-0.0 40,-0.2 -0.065 58.6-137.0 97.2 162.5 -22.1 37.5 18.7 9 60 A N - 0 0 98 38,-0.4 40,-0.3 -2,-0.1 37,-0.0 -0.960 18.5-121.9-150.7 173.6 -22.5 34.5 16.4 10 61 A Y - 0 0 31 -2,-0.3 10,-0.1 1,-0.3 6,-0.1 0.350 46.5-146.3-100.7 6.9 -20.4 31.7 15.0 11 62 A G - 0 0 47 5,-0.1 -1,-0.3 4,-0.1 3,-0.1 -0.109 49.1 -10.5 58.8-158.2 -21.1 32.4 11.3 12 63 A L S > S- 0 0 121 1,-0.1 4,-2.5 4,-0.1 0, 0.0 -0.300 81.9 -90.8 -71.3 148.6 -21.4 29.8 8.6 13 64 A P T 4 S- 0 0 108 0, 0.0 2,-3.3 0, 0.0 -1,-0.1 -0.324 107.5 -7.1 -52.3 145.7 -20.5 26.1 9.1 14 65 A I T > S+ 0 0 140 1,-0.2 4,-1.6 -3,-0.1 40,-0.2 -0.313 136.3 59.2 62.2 -60.7 -16.8 25.5 8.2 15 66 A V H > S+ 0 0 85 -2,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.804 96.8 58.3 -68.6 -39.5 -16.3 29.1 6.9 16 67 A G H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.979 110.2 41.7 -52.3 -63.5 -17.3 31.0 10.1 17 68 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.846 114.1 52.9 -56.0 -40.3 -14.5 29.3 12.2 18 69 A I H X S+ 0 0 41 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.928 109.7 46.9 -65.7 -44.1 -11.9 29.6 9.5 19 70 A K H X S+ 0 0 124 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.929 112.7 50.3 -63.1 -41.4 -12.4 33.3 8.9 20 71 A D H X S+ 0 0 24 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.883 109.2 52.3 -60.7 -36.9 -12.3 33.9 12.7 21 72 A R H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.902 107.8 51.1 -67.1 -40.3 -9.1 31.9 12.8 22 73 A W H X>S+ 0 0 100 -4,-2.3 4,-2.7 2,-0.2 5,-2.0 0.907 111.0 48.0 -64.3 -41.6 -7.6 34.1 10.1 23 74 A D H <>S+ 0 0 18 -4,-2.3 5,-2.4 3,-0.2 6,-2.0 0.937 112.7 50.3 -58.4 -47.7 -8.5 37.3 12.0 24 75 A Y H <5S+ 0 0 35 -4,-2.6 6,-0.2 4,-0.2 -2,-0.2 0.900 124.5 24.6 -59.9 -46.9 -7.0 35.8 15.2 25 76 A F H <5S+ 0 0 27 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.840 136.9 8.2 -87.6 -38.2 -3.7 34.8 13.6 26 77 A Y T <5S+ 0 0 51 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.843 122.3 39.3-119.2 -53.7 -3.1 37.1 10.7 27 78 A D T - 0 0 26 -6,-2.0 4,-2.8 -7,-0.2 5,-0.2 0.048 42.3 -73.3 88.4 153.3 -3.9 39.4 16.2 30 81 A A H > S+ 0 0 25 -6,-0.2 4,-2.2 1,-0.2 5,-0.3 0.880 128.3 49.1 -52.3 -50.0 -5.4 38.2 19.5 31 82 A E H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.944 118.1 38.2 -61.9 -49.3 -5.7 41.5 21.2 32 83 A E H > S+ 0 0 47 -4,-0.5 4,-2.7 2,-0.2 5,-0.3 0.806 109.1 64.2 -70.1 -31.5 -7.5 43.3 18.4 33 84 A F H X S+ 0 0 0 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.953 113.6 34.2 -52.2 -50.5 -9.5 40.2 17.6 34 85 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.920 119.2 49.5 -74.4 -43.1 -11.1 40.5 21.0 35 86 A K H X S+ 0 0 46 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.916 105.7 55.2 -67.3 -40.4 -11.2 44.3 21.3 36 87 A S H X S+ 0 0 20 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.876 111.8 46.2 -58.0 -37.0 -12.8 44.8 17.8 37 88 A R H X S+ 0 0 24 -4,-1.0 4,-3.0 -5,-0.3 6,-0.3 0.855 106.9 56.6 -78.1 -33.6 -15.7 42.5 18.9 38 89 A I H X>S+ 0 0 35 -4,-2.1 5,-1.3 2,-0.2 4,-1.1 0.942 113.4 43.0 -55.0 -48.4 -16.1 44.2 22.3 39 90 A R H <5S+ 0 0 148 -4,-2.4 3,-0.5 2,-0.2 -2,-0.2 0.964 115.7 46.8 -62.6 -50.9 -16.6 47.4 20.3 40 91 A K H <5S+ 0 0 167 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.906 122.1 35.4 -60.3 -46.4 -18.9 45.9 17.7 41 92 A Y H <5S- 0 0 39 -4,-3.0 -1,-0.3 2,-0.2 -2,-0.2 0.547 98.0-134.5 -84.6 -8.8 -21.1 44.0 20.2 42 93 A N T <5S+ 0 0 130 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.925 72.8 103.7 51.3 45.8 -20.9 46.7 22.9 43 94 A S < - 0 0 8 -5,-1.3 -2,-0.2 -6,-0.3 -1,-0.2 -0.985 67.8-150.9-156.3 141.2 -20.2 43.9 25.3 44 95 A T S S+ 0 0 36 -2,-0.3 22,-2.8 -3,-0.1 2,-0.4 0.350 94.3 61.5 -91.1 3.2 -17.4 42.3 27.2 45 96 A V E S+C 65 0B 1 20,-0.2 2,-0.3 21,-0.1 20,-0.2 -0.998 71.5 136.5-126.0 121.5 -19.3 38.9 27.0 46 97 A Y E -C 64 0B 0 18,-1.5 18,-3.2 -2,-0.4 2,-0.4 -0.986 52.8 -96.5-158.4 164.2 -20.0 37.5 23.6 47 98 A R E +C 63 0B 60 -40,-2.9 -38,-0.4 -2,-0.3 2,-0.3 -0.699 48.9 157.1 -82.8 134.5 -20.0 34.3 21.4 48 99 A V E -C 62 0B 3 14,-1.9 14,-2.2 -2,-0.4 2,-0.4 -0.986 41.4-113.1-152.2 153.3 -17.0 33.8 19.2 49 100 A N E -C 61 0B 4 -2,-0.3 12,-0.2 -40,-0.3 -40,-0.0 -0.757 33.1-157.6 -82.5 141.1 -15.2 30.9 17.5 50 101 A M - 0 0 8 10,-2.3 3,-0.4 -2,-0.4 -29,-0.1 -0.888 25.0 -70.8-116.9 149.4 -11.7 30.0 18.9 51 102 A P S S+ 0 0 3 0, 0.0 38,-0.4 0, 0.0 152,-0.1 -0.335 97.9 37.1 -64.2 160.0 -8.8 28.2 17.2 52 103 A P + 0 0 0 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.987 65.1 141.3 -88.9 -14.7 -7.9 25.6 16.2 53 104 A G >> + 0 0 4 -3,-0.4 4,-2.8 1,-0.1 3,-1.5 -0.291 44.1 86.7 49.6-133.1 -11.3 24.3 14.9 54 105 A A T 34 S- 0 0 42 1,-0.3 165,-0.1 2,-0.2 -1,-0.1 -0.080 115.5 -31.0 50.8-131.2 -10.5 22.3 11.7 55 106 A F T 34 S+ 0 0 154 164,-1.7 -1,-0.3 -3,-0.1 166,-0.2 0.442 135.4 63.1 -97.2 1.7 -9.6 18.8 12.3 56 107 A I T <4 S+ 0 0 26 -3,-1.5 2,-0.4 162,-0.2 35,-0.3 0.882 101.0 41.8 -94.1 -43.7 -8.1 19.3 15.7 57 108 A A < - 0 0 8 -4,-2.8 -1,-0.2 1,-0.1 33,-0.2 -0.901 64.2-151.3-108.0 135.9 -10.9 20.6 17.8 58 109 A E S S+ 0 0 196 31,-0.6 -1,-0.1 -2,-0.4 32,-0.1 0.865 87.5 21.6 -69.2 -39.4 -14.4 19.2 17.7 59 110 A N - 0 0 80 30,-0.5 -1,-0.2 -6,-0.1 -6,-0.1 -0.920 54.3-178.5-138.5 110.3 -16.2 22.4 18.7 60 111 A P + 0 0 17 0, 0.0 -10,-2.3 0, 0.0 2,-0.4 0.466 49.8 117.1 -83.1 -0.3 -14.7 25.9 18.3 61 112 A Q E +C 49 0B 84 -12,-0.2 303,-0.4 28,-0.1 2,-0.3 -0.539 36.5 157.4 -81.5 124.7 -17.7 27.6 19.9 62 113 A V E -C 48 0B 1 -14,-2.2 -14,-1.9 -2,-0.4 2,-0.5 -0.890 43.5-125.1-134.4 164.5 -17.2 29.5 23.1 63 114 A V E -Cd 47 365B 0 301,-2.3 303,-2.6 -2,-0.3 2,-0.3 -0.987 35.9-144.8-104.5 119.2 -18.6 32.3 25.3 64 115 A A E -Cd 46 366B 0 -18,-3.2 -18,-1.5 -2,-0.5 2,-0.5 -0.717 9.7-159.5 -91.3 139.0 -15.8 34.8 25.9 65 116 A L E +Cd 45 367B 0 301,-2.7 303,-0.7 -2,-0.3 -20,-0.2 -0.976 17.8 169.4-122.5 108.9 -15.5 36.7 29.2 66 117 A L + 0 0 3 -22,-2.8 2,-0.3 -2,-0.5 -21,-0.1 -0.120 47.2 69.0-125.1 31.6 -13.4 39.7 28.7 67 118 A D S > S- 0 0 1 -23,-0.1 4,-2.1 308,-0.1 305,-0.3 -0.963 82.0-112.4-142.5 164.2 -13.8 41.8 31.9 68 119 A G T 4 S+ 0 0 8 303,-0.3 304,-0.1 -2,-0.3 284,-0.0 0.512 112.2 54.0 -80.8 -2.6 -12.5 41.4 35.5 69 120 A K T 4 S+ 0 0 87 2,-0.1 282,-0.2 3,-0.1 -1,-0.2 0.847 116.6 33.7 -90.6 -42.7 -16.0 40.9 36.9 70 121 A S T >4 S+ 0 0 0 1,-0.1 3,-1.9 2,-0.1 4,-0.3 0.860 106.6 70.5 -77.8 -38.9 -17.2 38.1 34.6 71 122 A F G >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.3 4,-0.2 0.838 82.5 69.4 -52.1 -43.5 -13.8 36.3 34.2 72 123 A P G > S+ 0 0 45 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.637 77.3 80.4 -60.9 -9.8 -13.5 35.0 37.8 73 124 A V G X S+ 0 0 15 -3,-1.9 3,-1.4 1,-0.3 6,-0.2 0.847 82.7 68.5 -55.8 -29.0 -16.4 32.5 37.1 74 125 A L G < S+ 0 0 2 -3,-2.4 -1,-0.3 -4,-0.3 267,-0.1 0.622 96.7 51.7 -68.3 -14.6 -13.6 30.5 35.5 75 126 A F G < S+ 0 0 33 -3,-1.9 2,-1.0 -4,-0.2 343,-0.3 0.613 84.7 98.6 -89.6 -18.4 -12.0 29.9 38.9 76 127 A D X> - 0 0 61 -3,-1.4 4,-2.5 -4,-0.5 3,-2.0 -0.638 53.0-169.2 -86.7 103.6 -15.2 28.6 40.6 77 128 A V T 34 S+ 0 0 26 -2,-1.0 -1,-0.2 1,-0.3 5,-0.1 0.605 86.3 59.7 -72.8 -12.2 -15.0 24.8 40.5 78 129 A D T 34 S+ 0 0 116 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.542 115.1 35.5 -84.0 -11.0 -18.7 24.5 41.6 79 130 A K T <4 S+ 0 0 68 -3,-2.0 266,-2.8 1,-0.2 267,-0.6 0.725 120.1 41.9-110.3 -35.1 -19.6 26.4 38.4 80 131 A V E < -E 344 0B 0 -4,-2.5 2,-0.4 264,-0.2 -1,-0.2 -0.933 67.3-137.9-119.2 141.8 -17.1 25.2 35.8 81 132 A E E -E 343 0B 66 262,-3.2 262,-2.2 -2,-0.4 -3,-0.1 -0.755 11.8-164.4 -87.5 140.5 -15.6 21.8 35.0 82 133 A K + 0 0 14 -2,-0.4 2,-0.5 260,-0.2 3,-0.2 -0.377 37.7 136.0-121.8 48.6 -11.9 21.9 34.3 83 134 A K S S- 0 0 80 1,-0.2 23,-0.2 23,-0.1 22,-0.1 -0.892 77.9 -17.6-103.3 124.9 -11.4 18.5 32.7 84 135 A D S S+ 0 0 47 21,-3.1 -1,-0.2 -2,-0.5 21,-0.1 0.727 105.6 104.0 60.4 28.4 -9.2 18.2 29.6 85 136 A L > + 0 0 6 19,-0.2 3,-1.0 -3,-0.2 256,-0.3 0.147 30.2 115.4-129.7 18.4 -9.3 21.9 28.8 86 137 A F T 3 S+ 0 0 69 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 0.846 94.2 32.4 -53.3 -37.2 -5.8 23.1 29.9 87 138 A T T 3 S- 0 0 9 3,-0.3 2,-0.5 1,-0.3 -1,-0.3 0.263 119.3-115.8-104.7 8.0 -5.1 23.9 26.2 88 139 A G S < S+ 0 0 2 -3,-1.0 -1,-0.3 1,-0.2 253,-0.0 -0.829 77.0 2.3 109.4-133.1 -8.7 24.8 25.3 89 140 A T S S+ 0 0 22 -2,-0.5 -31,-0.6 -38,-0.4 -30,-0.5 0.339 127.4 42.1 -85.4 1.7 -11.1 23.2 22.9 90 141 A Y S S- 0 0 17 -33,-0.2 -3,-0.3 -3,-0.2 -33,-0.1 -0.922 71.7-142.9-133.2 165.6 -8.7 20.3 22.0 91 142 A M - 0 0 50 -2,-0.3 3,-0.1 -35,-0.3 -6,-0.1 -0.998 25.5-115.4-129.4 130.0 -6.3 18.2 24.1 92 143 A P - 0 0 12 0, 0.0 107,-0.1 0, 0.0 5,-0.1 -0.268 50.0 -84.7 -57.6 146.1 -2.9 17.1 22.9 93 144 A S > - 0 0 46 1,-0.2 3,-2.0 2,-0.1 4,-0.2 -0.206 27.5-130.4 -52.6 138.7 -2.6 13.3 22.5 94 145 A T G > >S+ 0 0 50 1,-0.3 5,-3.0 2,-0.2 3,-1.3 0.602 103.7 80.7 -67.6 -7.3 -1.7 11.5 25.7 95 146 A E G > 5S+ 0 0 133 1,-0.3 3,-0.5 3,-0.2 -1,-0.3 0.688 86.4 59.5 -64.9 -19.4 1.0 9.8 23.5 96 147 A L G < 5S+ 0 0 8 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.577 109.1 41.9 -79.8 -13.7 2.9 13.1 24.2 97 148 A T G X 5S- 0 0 4 -3,-1.3 3,-2.2 -4,-0.2 -1,-0.2 -0.316 126.3 -84.6-135.4 47.8 2.8 12.4 27.9 98 149 A G T < 5S- 0 0 35 -3,-0.5 -3,-0.2 1,-0.3 3,-0.1 0.606 83.5 -64.3 64.0 15.9 3.5 8.7 28.4 99 150 A G T 3 - 0 0 2 -2,-0.9 3,-2.3 1,-0.1 4,-0.4 -0.207 20.2 -97.7 -70.6 158.0 -1.3 14.8 33.3 103 154 A L G > S+ 0 0 14 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.829 119.1 63.5 -43.2 -47.1 -2.3 16.8 36.4 104 155 A S G 3 S+ 0 0 20 1,-0.3 -1,-0.3 -21,-0.0 -19,-0.2 0.744 105.5 47.1 -55.8 -24.0 -3.0 20.0 34.4 105 156 A Y G < S+ 0 0 4 -3,-2.3 -21,-3.1 -21,-0.1 2,-0.4 0.442 92.2 102.5 -96.2 -4.0 -5.8 18.2 32.5 106 157 A L < - 0 0 5 -3,-2.2 -23,-0.1 -4,-0.4 -4,-0.0 -0.664 67.2-133.1 -89.8 134.1 -7.5 16.8 35.6 107 158 A D > - 0 0 2 -2,-0.4 3,-2.5 1,-0.1 6,-0.3 -0.541 27.8-116.0 -73.4 145.8 -10.7 18.1 37.3 108 159 A P T 3 S+ 0 0 24 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.716 113.6 71.0 -58.6 -17.7 -10.4 18.5 41.1 109 160 A S T 3 S+ 0 0 93 4,-0.1 307,-0.0 3,-0.0 3,-0.0 0.570 80.9 90.7 -73.1 -6.4 -13.2 15.9 41.3 110 161 A E S X> S- 0 0 41 -3,-2.5 3,-1.7 1,-0.1 4,-0.8 -0.796 78.5-139.0 -92.4 124.7 -10.6 13.3 40.1 111 162 A P H 3> S+ 0 0 104 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.829 101.2 58.3 -52.4 -38.3 -8.8 11.6 43.1 112 163 A K H 3> S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.719 93.7 67.9 -68.4 -19.5 -5.4 11.8 41.3 113 164 A H H <> S+ 0 0 3 -3,-1.7 4,-2.3 -6,-0.3 5,-0.3 0.954 103.5 44.2 -58.9 -50.2 -5.7 15.6 41.1 114 165 A E H X S+ 0 0 101 -4,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.948 116.3 47.0 -59.1 -48.2 -5.4 15.8 44.9 115 166 A K H X S+ 0 0 79 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.930 115.4 43.0 -60.4 -50.6 -2.4 13.3 44.9 116 167 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 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52.7 -64.4 -49.1 10.1 53.9 -11.0 701 286 B Y H X S+ 0 0 19 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.935 108.4 50.4 -53.5 -47.9 11.3 55.3 -14.3 702 287 B E H X S+ 0 0 69 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.857 108.4 53.3 -65.2 -32.6 7.8 55.6 -15.7 703 288 B F H X S+ 0 0 10 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.943 113.3 42.5 -60.5 -50.4 6.7 57.5 -12.5 704 289 B F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 113.2 52.2 -66.8 -43.3 9.5 60.1 -12.9 705 290 B L H < S+ 0 0 58 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.921 116.4 39.8 -54.3 -46.8 9.0 60.4 -16.6 706 291 B E H < S+ 0 0 143 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.741 121.8 41.2 -79.4 -22.6 5.3 61.1 -16.2 707 292 B S H < S+ 0 0 18 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.670 99.1 70.9 -98.5 -22.4 5.5 63.3 -13.1 708 293 B A X + 0 0 1 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.055 56.3 132.3 -91.9 25.1 8.6 65.5 -13.8 709 294 B G H > S+ 0 0 37 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.869 71.1 45.2 -40.7 -59.7 7.0 67.6 -16.6 710 295 B E H > S+ 0 0 145 -3,-0.3 4,-1.0 1,-0.2 3,-0.2 0.867 115.7 45.8 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57.5-118.7-100.6 140.5 19.8 67.1 -22.0 721 306 B S > - 0 0 55 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.381 23.1-121.1 -69.2 156.4 17.5 64.4 -23.4 722 307 B R H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.830 113.7 56.5 -69.0 -29.3 14.4 63.7 -21.3 723 308 B E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.968 110.5 41.4 -64.4 -53.1 15.6 60.1 -20.9 724 309 B E H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 115.9 51.3 -61.4 -43.9 19.0 61.1 -19.4 725 310 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.921 109.7 50.4 -56.8 -47.0 17.3 63.7 -17.3 726 311 B T H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.909 108.0 50.2 -63.3 -46.2 14.8 61.2 -15.9 727 312 B H H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 114.6 47.2 -56.3 -39.0 17.4 58.6 -15.0 728 313 B N H X S+ 0 0 4 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.870 111.5 48.5 -72.0 -37.1 19.2 61.4 -13.1 729 314 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.913 112.6 50.2 -65.5 -43.9 16.0 62.7 -11.4 730 315 B L H X>S+ 0 0 0 -4,-3.0 4,-3.3 -5,-0.2 5,-0.6 0.953 113.1 45.5 -58.7 -50.8 15.2 59.1 -10.4 731 316 B F H X>S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.2 4,-1.7 0.935 114.6 46.7 -61.3 -47.4 18.7 58.6 -9.0 732 317 B A H <>S+ 0 0 8 -4,-2.6 5,-2.8 3,-0.2 -1,-0.2 0.887 120.1 40.2 -62.0 -39.2 18.8 62.0 -7.1 733 318 B T H <>S+ 0 0 1 -4,-2.5 5,-2.9 -5,-0.2 -2,-0.2 0.944 128.3 27.7 -77.2 -47.8 15.3 61.5 -5.6 734 319 B C H <>S+ 0 0 0 -4,-3.3 5,-1.1 -5,-0.3 -3,-0.2 0.920 132.0 28.4 -83.9 -48.2 15.5 57.8 -4.8 735 320 B F T <X S+ 0 0 17 -4,-1.3 4,-2.8 -5,-0.4 3,-0.6 0.927 113.4 47.2 -61.5 -48.1 19.9 59.6 2.8 741 326 B M H 3X S+ 0 0 12 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.845 104.2 63.2 -64.3 -33.0 16.6 60.5 4.6 742 327 B K H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.824 114.4 32.8 -59.6 -37.5 16.0 56.7 5.2 743 328 B I H S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.912 113.3 52.0 -58.9 -41.0 15.6 57.3 12.2 747 332 B N H X S+ 0 0 39 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.894 109.7 49.8 -58.9 -41.6 19.1 58.2 13.5 748 333 B M H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.906 109.9 50.1 -63.5 -44.0 17.7 61.6 14.6 749 334 B V H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.929 114.1 46.3 -59.7 -45.0 14.7 60.0 16.4 750 335 B K H X S+ 0 0 33 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.947 118.3 39.5 -63.5 -49.8 17.1 57.7 18.2 751 336 B R H X S+ 0 0 48 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.901 119.1 45.0 -73.6 -41.0 19.7 60.3 19.2 752 337 B I H >X S+ 0 0 5 -4,-2.8 3,-0.9 -5,-0.3 4,-0.5 0.927 112.6 54.1 -66.5 -42.1 17.2 63.1 20.1 753 338 B G H >< S+ 0 0 7 -4,-2.3 3,-1.2 -5,-0.4 -2,-0.2 0.933 109.8 46.2 -52.6 -49.0 15.1 60.4 22.0 754 339 B R H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.567 93.1 79.2 -75.0 -10.4 18.2 59.4 24.0 755 340 B A H << S- 0 0 28 -3,-0.9 4,-0.3 -4,-0.7 -1,-0.3 0.737 102.5-127.4 -68.2 -23.4 19.1 63.1 24.7 756 341 B G S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.728 122.0 60.3 -71.8 -25.6 13.2 64.8 28.4 758 343 B Q H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 109.5 44.0 -65.3 -44.5 14.9 68.0 29.6 759 344 B V H > S+ 0 0 18 -3,-0.4 4,-2.5 -4,-0.3 -2,-0.2 0.905 112.2 53.4 -63.5 -42.7 16.3 68.5 26.1 760 345 B H H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.918 109.4 49.1 -57.6 -45.9 12.9 67.6 24.6 761 346 B N H X S+ 0 0 86 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.872 111.0 48.7 -60.5 -42.4 11.3 70.3 26.9 762 347 B R H X S+ 0 0 118 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.877 112.2 48.7 -67.4 -39.0 13.8 73.0 25.9 763 348 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.943 111.7 49.6 -64.9 -46.0 13.3 72.2 22.1 764 349 B A H X S+ 0 0 5 -4,-2.5 4,-2.4 144,-0.3 5,-0.3 0.917 112.2 48.1 -57.3 -46.7 9.5 72.3 22.5 765 350 B E H X S+ 0 0 130 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.933 114.0 45.5 -61.4 -48.8 9.7 75.7 24.4 766 351 B E H X S+ 0 0 40 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.934 115.6 45.7 -59.2 -52.2 12.1 77.3 21.8 767 352 B I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.930 117.2 41.7 -59.9 -50.8 10.1 76.1 18.7 768 353 B R H X S+ 0 0 84 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.898 115.5 50.9 -71.2 -36.0 6.6 77.0 19.9 769 354 B S H X S+ 0 0 49 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.910 111.0 47.2 -64.0 -47.2 7.8 80.3 21.4 770 355 B V H X S+ 0 0 25 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.901 113.3 48.9 -64.3 -40.7 9.6 81.4 18.2 771 356 B I H <>S+ 0 0 9 -4,-2.1 5,-2.3 -5,-0.2 6,-0.4 0.938 112.2 48.0 -66.4 -44.5 6.6 80.5 16.1 772 357 B K H ><5S+ 0 0 168 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.957 112.5 48.9 -56.8 -51.3 4.1 82.3 18.4 773 358 B S H 3<5S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.716 104.6 61.8 -60.3 -23.5 6.4 85.4 18.3 774 359 B N T 3<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.4 3,-0.2 0.356 130.0 -90.6 -86.5 1.7 6.5 85.2 14.5 775 360 B G T < 5S- 0 0 71 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.2 0.588 73.3 -64.5 97.0 11.4 2.8 85.7 14.2 776 361 B G S - 0 0 63 -2,-0.5 4,-2.0 1,-0.1 3,-0.3 -0.867 50.2-106.5-125.2 165.8 9.1 80.9 8.0 780 365 B M H > S+ 0 0 95 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.885 121.5 54.5 -53.9 -41.8 12.7 80.5 7.0 781 366 B G H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.853 105.3 52.2 -60.7 -37.0 13.5 83.5 9.2 782 367 B A H >> S+ 0 0 0 -3,-0.3 3,-1.5 1,-0.2 4,-0.6 0.924 104.8 55.7 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26.8 58.5 4.3 804 389 B T + 0 0 48 -2,-0.6 31,-3.0 1,-0.1 2,-0.6 0.630 48.5 74.0 -97.5 -16.6 30.1 57.4 5.9 805 390 B A E + Q 0 834E 33 29,-0.2 2,-0.4 30,-0.1 29,-0.2 -0.895 48.9 173.6-112.3 115.8 32.4 56.4 3.1 806 391 B Q E - Q 0 833E 14 27,-2.2 27,-2.8 -2,-0.6 2,-0.3 -0.970 8.0-172.4-119.9 135.9 34.1 59.0 0.8 807 392 B Y E + Q 0 832E 9 -2,-0.4 2,-0.3 -256,-0.3 25,-0.2 -0.897 8.6 173.6-122.3 154.9 36.8 58.1 -1.8 808 393 B G E - Q 0 831E 0 23,-2.3 23,-3.2 -2,-0.3 2,-0.6 -0.956 25.4-133.0-158.6 139.0 39.1 60.2 -4.1 809 394 B R E -PQ 547 830E 82 -262,-2.4 -262,-3.3 -2,-0.3 21,-0.2 -0.863 32.2-112.9 -98.9 125.8 41.9 59.2 -6.4 810 395 B A E -P 546 0E 5 19,-2.6 18,-2.7 -2,-0.6 -264,-0.3 -0.283 24.5-166.3 -56.7 127.2 45.1 61.3 -6.2 811 396 B K S S+ 0 0 98 -266,-2.7 2,-0.3 16,-0.2 -1,-0.2 0.610 72.6 0.1 -88.6 -17.9 45.5 63.3 -9.4 812 397 B K S S- 0 0 106 -267,-0.6 -1,-0.2 14,-0.1 16,-0.2 -0.922 102.4 -59.6-159.5 169.5 49.1 64.2 -8.6 813 398 B D - 0 0 102 -2,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.442 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