==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-11 3ZZF . COMPND 2 MOLECULE: ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.DE CIMA,F.GIL-ORTIZ,M.CRABEEL,I.FITA,V.RUBIO . 1161 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 96 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 415 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 4 0 7 1 6 2 8 4 4 4 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 5 6 9 6 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 . 6 12 4 0 4 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 . 8 0 4 0 0 0 4 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 62 A N 0 0 96 0, 0.0 2,-0.4 0, 0.0 165,-0.1 0.000 360.0 360.0 360.0 -59.7 1.0 29.7 34.0 2 63 A G - 0 0 45 1,-0.0 2,-0.6 2,-0.0 64,-0.5 -0.466 360.0-160.3 -72.8 115.8 4.1 28.3 35.8 3 64 A F B +A 65 0A 26 -2,-0.4 877,-0.3 62,-0.2 62,-0.2 -0.845 24.9 153.3 -93.8 121.2 6.5 30.9 37.1 4 65 A S - 0 0 49 60,-2.6 2,-0.6 -2,-0.6 875,-0.2 -0.682 25.9-158.3-151.8 94.5 10.0 29.5 37.8 5 66 A A B -B 878 0B 2 873,-2.6 873,-1.8 -2,-0.2 2,-0.1 -0.621 9.0-161.9 -82.6 116.1 12.9 31.9 37.6 6 67 A T > - 0 0 39 -2,-0.6 4,-2.2 871,-0.2 5,-0.2 -0.269 40.9 -91.5 -79.4 175.6 16.3 30.3 37.0 7 68 A R H > S+ 0 0 99 869,-0.4 4,-2.2 1,-0.2 5,-0.2 0.936 130.9 49.0 -51.8 -49.9 19.6 32.1 37.6 8 69 A S H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.866 108.4 54.4 -62.9 -36.1 19.6 33.3 34.0 9 70 A T H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 108.4 48.9 -61.6 -42.7 16.0 34.5 34.4 10 71 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.927 114.0 45.4 -64.2 -44.1 16.9 36.6 37.4 11 72 A I H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.936 112.7 50.8 -65.6 -45.9 19.9 38.1 35.6 12 73 A Q H < S+ 0 0 50 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.905 112.3 48.2 -55.4 -46.4 17.9 38.8 32.4 13 74 A L H < S+ 0 0 6 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.929 122.3 31.0 -59.1 -49.7 15.2 40.5 34.5 14 75 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.746 92.8 89.2 -85.4 -25.5 17.5 42.8 36.5 15 76 A N T 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.696 102.7 26.2 -58.9 -26.1 20.4 43.5 34.1 16 77 A N T 3 S+ 0 0 137 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.3 0.376 89.8 115.6-119.3 4.1 18.8 46.6 32.5 17 78 A I < + 0 0 3 -3,-1.4 879,-0.1 -4,-0.2 3,-0.1 -0.562 23.5 153.5 -67.2 133.0 16.5 47.8 35.3 18 79 A S + 0 0 56 -2,-0.3 875,-0.7 1,-0.2 2,-0.3 0.403 53.2 50.9-137.0 -8.2 17.7 51.2 36.6 19 80 A T S > S- 0 0 49 873,-0.2 4,-1.7 1,-0.1 -1,-0.2 -0.897 74.3-121.2-135.6 158.8 14.5 52.9 37.9 20 81 A K H > S+ 0 0 85 -2,-0.3 4,-2.9 871,-0.3 5,-0.2 0.838 114.5 62.7 -62.2 -35.2 11.6 52.3 40.3 21 82 A R H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 103.6 45.1 -58.9 -47.6 9.4 52.9 37.3 22 83 A E H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 112.9 51.9 -62.8 -42.4 10.9 49.9 35.4 23 84 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.918 109.0 50.2 -57.6 -46.5 10.5 47.8 38.6 24 85 A E H X S+ 0 0 111 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.834 106.7 55.9 -62.6 -36.5 6.9 48.8 39.0 25 86 A Q H X S+ 0 0 41 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.952 109.6 44.5 -61.8 -49.2 6.2 47.9 35.3 26 87 A Y H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.886 110.4 55.4 -62.6 -39.7 7.5 44.3 35.9 27 88 A L H X S+ 0 0 23 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.900 103.8 55.5 -58.4 -42.0 5.6 44.0 39.2 28 89 A K H < S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.7 42.8 -58.9 -41.5 2.4 44.9 37.3 29 90 A Y H >< S+ 0 0 22 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.859 114.7 49.5 -74.0 -35.1 2.9 42.0 34.8 30 91 A F H 3< S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.644 113.9 45.1 -81.1 -15.7 4.0 39.5 37.5 31 92 A T T 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 2,-0.2 0.300 86.3 125.6-104.4 6.5 0.9 40.3 39.8 32 93 A S < - 0 0 68 -3,-0.7 -3,-0.1 -4,-0.2 -4,-0.0 -0.478 42.2-169.3 -74.7 132.6 -1.6 40.2 36.9 33 94 A V + 0 0 132 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.090 42.8 136.0-101.9 18.7 -4.6 37.9 37.2 34 95 A S - 0 0 66 1,-0.1 4,-0.1 2,-0.0 -2,-0.0 -0.378 43.1-162.5 -67.1 143.5 -5.6 38.5 33.5 35 96 A Q + 0 0 176 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.444 53.1 119.5-104.1 -6.1 -6.6 35.4 31.4 36 97 A Q S S- 0 0 94 1,-0.1 165,-0.1 2,-0.1 2,-0.1 -0.279 80.9 -95.5 -51.4 140.1 -6.0 37.2 28.1 37 98 A Q - 0 0 44 163,-0.5 166,-2.6 164,-0.2 167,-0.2 -0.409 33.5-140.0 -57.8 137.0 -3.4 35.5 25.9 38 99 A F - 0 0 16 30,-0.5 166,-2.0 164,-0.2 2,-0.3 0.916 63.1 -14.9 -70.7 -44.5 -0.1 37.3 26.6 39 100 A A E -cd 69 204C 0 29,-0.6 31,-2.3 164,-0.2 2,-0.5 -0.996 34.3-150.7-163.4 143.3 1.4 37.5 23.1 40 101 A V E -cd 70 205C 2 164,-2.0 166,-2.6 -2,-0.3 2,-0.5 -1.000 29.4-168.8-113.2 125.0 1.5 36.4 19.5 41 102 A I E -cd 71 206C 0 29,-2.7 31,-2.6 -2,-0.5 2,-0.5 -0.964 9.5-157.2-120.1 117.2 5.0 36.7 18.2 42 103 A K E -cd 72 207C 19 164,-3.2 166,-3.1 -2,-0.5 2,-0.6 -0.815 12.5-155.6 -91.1 129.1 5.8 36.4 14.5 43 104 A V E -cd 73 208C 0 29,-3.1 31,-2.3 -2,-0.5 166,-0.1 -0.917 13.8-127.9-112.5 117.2 9.4 35.4 13.8 44 105 A G >> - 0 0 11 164,-1.7 3,-1.4 -2,-0.6 4,-0.7 -0.296 22.3-123.9 -54.8 137.0 11.2 36.2 10.5 45 106 A G H >> S+ 0 0 6 1,-0.3 4,-1.0 2,-0.2 3,-0.8 0.844 109.3 62.8 -53.6 -37.3 12.8 33.1 9.0 46 107 A A H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.786 93.7 62.9 -59.1 -30.4 16.2 34.9 8.9 47 108 A I H <> S+ 0 0 5 -3,-1.4 4,-2.2 1,-0.2 8,-0.3 0.834 98.8 53.7 -68.6 -32.4 16.2 35.1 12.7 48 109 A I H << S+ 0 0 2 -3,-0.8 4,-0.3 -4,-0.7 -1,-0.2 0.831 115.9 38.8 -71.7 -33.2 16.2 31.3 13.2 49 110 A S H < S+ 0 0 64 -4,-1.0 -2,-0.2 -3,-0.1 -1,-0.2 0.855 131.1 26.1 -81.3 -38.0 19.3 30.9 10.9 50 111 A D H < S+ 0 0 102 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.732 133.5 25.9 -98.1 -27.9 21.2 34.0 12.1 51 112 A N X + 0 0 52 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 -0.146 69.8 135.5-136.9 36.9 20.0 34.7 15.7 52 113 A L H > S+ 0 0 34 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.923 74.3 49.1 -60.2 -51.6 18.8 31.4 17.1 53 114 A H H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 113.8 46.8 -57.3 -42.9 20.4 31.6 20.6 54 115 A E H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 113.8 47.8 -66.5 -44.8 19.1 35.2 21.1 55 116 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 -8,-0.3 5,-0.2 0.941 113.0 48.1 -59.7 -49.2 15.6 34.2 20.0 56 117 A A H X S+ 0 0 2 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.877 109.4 55.3 -61.6 -38.4 15.6 31.1 22.2 57 118 A S H X S+ 0 0 49 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.897 109.2 43.5 -63.0 -46.2 16.8 33.2 25.2 58 119 A C H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.871 114.7 50.5 -70.4 -33.9 14.1 35.8 25.1 59 120 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.893 109.1 52.7 -65.4 -37.7 11.4 33.1 24.6 60 121 A A H X S+ 0 0 7 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.880 105.4 54.4 -64.6 -39.1 12.9 31.3 27.5 61 122 A F H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.942 109.3 47.2 -57.3 -49.4 12.6 34.4 29.7 62 123 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 -2,-0.2 0.901 112.1 51.1 -59.7 -43.5 8.9 34.7 28.9 63 124 A Y H ><5S+ 0 0 33 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.910 109.2 49.6 -58.5 -48.6 8.4 31.0 29.6 64 125 A H H 3<5S+ 0 0 21 -4,-2.5 -60,-2.6 1,-0.3 -1,-0.2 0.738 109.7 51.1 -69.3 -24.4 10.2 31.2 33.0 65 126 A V B 3<5S-A 3 0A 2 -4,-1.5 -1,-0.3 -62,-0.2 -62,-0.2 0.274 118.2-110.3 -95.6 11.6 8.1 34.2 34.1 66 127 A G T < 5S+ 0 0 11 -3,-1.3 2,-0.6 -64,-0.5 -3,-0.2 0.683 82.7 121.4 77.1 20.7 4.8 32.4 33.2 67 128 A L < - 0 0 26 -5,-2.7 -1,-0.1 -6,-0.2 -3,-0.1 -0.669 47.2-164.5-119.5 76.6 4.0 34.6 30.2 68 129 A Y - 0 0 18 -2,-0.6 -29,-0.6 -5,-0.1 -30,-0.5 -0.405 3.4-150.9 -73.7 123.9 3.8 32.2 27.3 69 130 A P E -c 39 0C 0 0, 0.0 2,-0.6 0, 0.0 -29,-0.2 -0.630 15.6-128.7 -85.9 149.0 3.9 33.5 23.8 70 131 A I E -c 40 0C 0 -31,-2.3 -29,-2.7 -2,-0.2 2,-0.5 -0.903 35.4-154.3 -87.9 119.8 2.2 31.8 20.8 71 132 A V E +ce 41 172C 0 100,-2.1 102,-3.4 -2,-0.6 2,-0.4 -0.875 19.9 177.9-110.7 126.5 5.2 31.7 18.3 72 133 A L E -ce 42 173C 0 -31,-2.6 -29,-3.1 -2,-0.5 2,-0.3 -0.995 12.2-173.6-126.7 128.3 4.8 31.6 14.5 73 134 A H E -ce 43 174C 0 100,-2.4 102,-0.5 -2,-0.4 -29,-0.2 -0.807 14.1-140.7-124.3 162.1 7.8 31.7 12.3 74 135 A G - 0 0 6 -31,-2.3 -26,-0.1 -2,-0.3 -1,-0.1 -0.212 4.0-160.5-100.8-165.7 8.7 31.9 8.6 75 136 A T > + 0 0 7 -2,-0.1 4,-1.5 39,-0.0 -31,-0.1 0.169 42.8 129.8-166.8 22.8 11.4 30.2 6.5 76 137 A G H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.912 72.3 47.4 -60.3 -53.8 11.8 32.3 3.3 77 138 A P H > S+ 0 0 67 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.890 112.3 49.0 -58.0 -43.1 15.7 32.7 3.2 78 139 A Q H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.823 108.0 55.3 -69.9 -30.1 16.4 29.0 3.7 79 140 A V H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.932 107.7 48.8 -63.4 -47.5 13.9 28.0 1.0 80 141 A N H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.845 108.4 55.4 -61.3 -34.5 15.8 30.3 -1.5 81 142 A G H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.897 110.6 44.1 -63.0 -42.2 19.0 28.7 -0.4 82 143 A R H X S+ 0 0 129 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.930 113.3 49.7 -69.7 -45.0 17.7 25.2 -1.2 83 144 A L H <>S+ 0 0 1 -4,-2.6 5,-3.0 1,-0.2 3,-0.3 0.913 111.6 49.9 -59.5 -43.3 16.1 26.2 -4.5 84 145 A E H ><5S+ 0 0 87 -4,-2.2 3,-1.9 3,-0.2 -1,-0.2 0.877 104.5 57.0 -63.3 -40.5 19.4 27.9 -5.5 85 146 A A H 3<5S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.5 47.6 -58.0 -32.5 21.4 24.7 -4.6 86 147 A Q T 3<5S- 0 0 87 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.253 122.9-108.6 -90.4 8.2 19.2 22.9 -7.1 87 148 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.736 76.9 131.2 71.0 24.9 19.7 25.6 -9.8 88 149 A I < - 0 0 58 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.920 48.8-142.8-113.3 134.4 16.1 27.0 -9.4 89 150 A E - 0 0 136 -2,-0.4 -9,-0.0 -3,-0.1 2,-0.0 -0.771 22.0-121.8 -93.2 136.0 15.2 30.7 -9.0 90 151 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 9,-0.1 -0.315 22.0-150.6 -71.5 163.4 12.3 31.7 -6.7 91 152 A D + 0 0 101 7,-0.4 7,-2.7 2,-0.0 2,-0.3 -0.996 15.2 178.0-141.2 127.3 9.4 33.7 -8.0 92 153 A Y E -J 97 0D 97 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.905 13.0-168.2-124.4 155.1 7.1 36.1 -6.2 93 154 A I E > S-J 96 0D 59 3,-2.2 3,-2.3 -2,-0.3 -2,-0.0 -0.968 81.9 -6.2-137.7 136.3 4.2 38.4 -7.0 94 155 A D T 3 S- 0 0 67 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.815 130.7 -57.8 53.2 34.6 2.9 41.1 -4.5 95 156 A G T 3 S+ 0 0 15 1,-0.2 2,-0.5 151,-0.1 -1,-0.3 0.499 113.9 121.9 77.2 5.6 5.4 39.7 -2.0 96 157 A I E < -J 93 0D 23 -3,-2.3 -3,-2.2 92,-0.1 2,-0.3 -0.871 66.2-119.9-108.7 126.9 3.8 36.2 -2.2 97 158 A R E -J 92 0D 20 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.478 19.3-133.5 -66.4 122.4 5.8 33.1 -3.2 98 159 A I - 0 0 25 -7,-2.7 2,-0.6 -2,-0.3 -7,-0.4 -0.702 30.6-161.6 -71.4 123.0 4.4 31.5 -6.3 99 160 A T B +k 148 0E 0 48,-2.6 50,-2.5 -2,-0.5 87,-0.1 -0.821 16.3 175.9-126.0 91.2 4.4 27.9 -5.1 100 161 A D > - 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0 0 45 1,-0.0 64,-0.5 2,-0.0 2,-0.5 -0.428 360.0-160.2 -69.0 110.0 12.2 10.7 51.5 585 64 C F B +G 647 0Q 27 -2,-0.5 -287,-0.3 62,-0.2 62,-0.2 -0.773 24.7 154.1 -86.3 128.1 12.5 8.1 48.8 586 65 C S - 0 0 51 60,-3.5 2,-0.6 -2,-0.5 -289,-0.2 -0.601 27.5-154.8-158.3 90.2 13.9 9.5 45.5 587 66 C A E -R 296 0J 2 -291,-2.6 -291,-1.7 -2,-0.1 60,-0.1 -0.559 11.7-160.7 -78.6 113.4 15.7 7.0 43.3 588 67 C T E > -R 295 0J 37 -2,-0.6 4,-2.2 -293,-0.2 5,-0.2 -0.235 38.5 -92.6 -78.6 174.3 18.2 8.7 40.9 589 68 C R H > S+ 0 0 96 -295,-0.6 4,-1.9 1,-0.2 5,-0.2 0.936 130.3 45.3 -51.9 -50.7 19.6 7.1 37.8 590 69 C S H > S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.855 109.4 56.9 -66.8 -33.9 22.6 5.8 39.7 591 70 C T H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 107.2 48.2 -61.3 -42.7 20.3 4.6 42.5 592 71 C V H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.912 115.1 44.2 -64.6 -43.2 18.2 2.5 40.1 593 72 C I H X S+ 0 0 46 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.932 112.8 52.7 -67.4 -45.4 21.4 0.9 38.5 594 73 C Q H < S+ 0 0 58 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.881 112.6 45.7 -53.9 -44.0 22.8 0.4 42.0 595 74 C L H < S+ 0 0 4 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.929 120.8 34.9 -67.0 -49.8 19.7 -1.4 43.1 596 75 C L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.748 95.8 83.6 -82.2 -26.5 19.2 -3.7 40.0 597 76 C N T 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.798 100.5 34.7 -47.6 -39.9 22.9 -4.4 39.2 598 77 C N T 3 S+ 0 0 66 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.3 0.441 91.4 112.3 -99.7 -3.3 23.3 -7.3 41.6 599 78 C I < + 0 0 1 -3,-1.5 -285,-0.2 -4,-0.2 -289,-0.1 -0.606 21.5 147.9 -84.1 125.3 19.8 -8.7 41.4 600 79 C S + 0 0 51 -2,-0.4 -289,-0.7 1,-0.1 2,-0.3 0.473 57.5 47.0-129.0 -12.6 19.4 -12.2 39.9 601 80 C T S > S- 0 0 60 -291,-0.2 4,-1.7 1,-0.1 -291,-0.2 -0.904 74.9-118.9-136.7 159.3 16.5 -13.9 41.6 602 81 C K H > S+ 0 0 90 -2,-0.3 4,-2.6 -293,-0.2 5,-0.2 0.809 114.3 62.2 -63.9 -31.1 12.9 -13.3 42.7 603 82 C R H > S+ 0 0 173 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 102.7 47.6 -62.5 -43.9 14.1 -13.8 46.3 604 83 C E H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 111.3 52.0 -63.4 -43.7 16.5 -10.8 46.1 605 84 C V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.939 109.4 48.7 -54.3 -51.2 13.7 -8.7 44.7 606 85 C E H X S+ 0 0 93 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.832 106.4 57.8 -63.5 -32.1 11.4 -9.7 47.5 607 86 C Q H X S+ 0 0 34 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.917 110.3 42.9 -62.4 -43.6 14.1 -8.8 50.0 608 87 C Y H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.845 110.1 56.8 -69.3 -37.0 14.3 -5.2 48.7 609 88 C L H X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.863 101.4 58.4 -61.3 -36.3 10.5 -5.0 48.5 610 89 C K H < S+ 0 0 135 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.895 110.8 40.8 -60.3 -42.8 10.4 -5.8 52.2 611 90 C Y H < S+ 0 0 28 -4,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.841 116.3 48.9 -75.6 -34.2 12.5 -2.8 53.1 612 91 C F H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.717 114.3 44.4 -81.0 -21.9 10.8 -0.4 50.6 613 92 C T S < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.457 88.7 122.5 -95.4 -3.4 7.3 -1.2 51.7 614 93 C S - 0 0 66 -4,-0.4 -3,-0.1 -3,-0.3 -4,-0.0 -0.246 38.4-176.1 -65.5 146.8 8.1 -1.1 55.5 615 94 C V + 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.243 38.0 130.0-122.2 6.9 6.2 1.3 57.8 616 95 C S - 0 0 77 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.308 54.0-143.1 -70.2 150.1 8.2 0.6 61.0 617 96 C Q + 0 0 195 2,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.487 60.5 122.4 -90.6 -5.9 9.4 3.6 63.0 618 97 C Q S S- 0 0 97 1,-0.1 165,-0.1 2,-0.1 167,-0.1 -0.285 75.1-100.6 -61.1 137.1 12.7 1.9 64.1 619 98 C Q - 0 0 38 163,-0.6 166,-2.4 164,-0.2 167,-0.2 -0.344 29.6-139.5 -55.0 135.4 16.0 3.5 63.1 620 99 C F - 0 0 16 30,-0.5 166,-2.0 164,-0.2 2,-0.3 0.959 65.4 -14.8 -67.9 -52.0 17.3 1.8 60.0 621 100 C A E -hi 651 786R 0 29,-0.6 31,-2.6 164,-0.2 2,-0.5 -1.000 35.7-149.9-156.0 147.2 21.0 1.7 60.9 622 101 C V E -hi 652 787R 2 164,-2.1 166,-2.3 -2,-0.3 2,-0.5 -1.000 30.7-169.2-111.3 124.1 23.9 2.8 63.0 623 102 C I E -hi 653 788R 0 29,-2.8 31,-2.4 -2,-0.5 2,-0.5 -0.967 10.3-158.1-121.8 116.9 27.1 2.6 60.9 624 103 C K E -hi 654 789R 19 164,-3.1 166,-3.2 -2,-0.5 2,-0.6 -0.828 10.2-157.7 -92.0 129.1 30.6 3.0 62.3 625 104 C V E -hi 655 790R 0 29,-2.7 31,-2.1 -2,-0.5 166,-0.1 -0.932 16.3-128.3-112.6 115.8 33.2 4.1 59.8 626 105 C G >> - 0 0 13 164,-1.7 3,-1.4 -2,-0.6 4,-0.6 -0.367 25.6-120.7 -56.7 136.8 36.9 3.3 60.5 627 106 C G H >> S+ 0 0 4 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.840 107.2 64.3 -51.7 -39.1 38.9 6.6 60.0 628 107 C A H >> S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.808 91.3 64.3 -57.7 -32.9 41.1 5.1 57.3 629 108 C I H <> S+ 0 0 4 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.852 96.0 58.1 -61.7 -33.7 38.2 4.6 54.9 630 109 C I H << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.6 4,-0.2 0.807 116.8 33.1 -68.8 -31.2 37.6 8.4 54.7 631 110 C S H << S+ 0 0 59 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.724 128.7 36.8 -89.2 -28.1 41.2 8.9 53.5 632 111 C D H < S+ 0 0 91 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.814 132.9 10.4-101.4 -38.0 41.6 5.7 51.5 633 112 C N S X S+ 0 0 72 -4,-2.5 4,-2.0 -5,-0.3 5,-0.1 -0.278 73.5 143.4-141.5 49.7 38.2 4.9 49.8 634 113 C L H > + 0 0 33 -4,-0.2 4,-3.0 1,-0.2 5,-0.3 0.888 69.5 54.1 -64.8 -44.6 36.1 8.0 50.3 635 114 C H H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 111.5 46.3 -55.5 -47.6 34.3 8.0 46.9 636 115 C E H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 113.2 49.4 -63.6 -43.5 33.1 4.4 47.4 637 116 C L H X S+ 0 0 1 -4,-2.0 4,-1.9 -8,-0.2 5,-0.2 0.946 112.1 47.5 -60.0 -50.3 32.0 5.2 51.0 638 117 C A H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.896 109.4 57.2 -59.2 -39.9 30.1 8.3 49.9 639 118 C S H X S+ 0 0 48 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.881 107.6 42.8 -62.1 -44.4 28.5 6.2 47.2 640 119 C C H X S+ 0 0 14 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.859 114.1 51.6 -74.0 -32.9 26.9 3.4 49.4 641 120 C L H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.880 107.7 54.6 -63.1 -37.5 25.7 6.0 51.9 642 121 C A H X S+ 0 0 7 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.878 103.1 55.1 -63.2 -39.7 24.1 7.9 49.0 643 122 C F H X S+ 0 0 4 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.932 109.2 47.3 -58.6 -45.0 22.2 4.7 48.0 644 123 C L H <>S+ 0 0 0 -4,-1.6 5,-2.8 1,-0.2 -2,-0.2 0.902 111.8 51.0 -64.7 -42.8 20.7 4.5 51.5 645 124 C Y H ><5S+ 0 0 34 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.934 109.3 50.1 -54.9 -51.0 19.8 8.2 51.4 646 125 C H H 3<5S+ 0 0 21 -4,-2.6 -60,-3.5 1,-0.3 -1,-0.2 0.790 109.7 49.5 -67.3 -29.2 18.1 7.9 48.1 647 126 C V B 3<5S-G 585 0Q 2 -4,-1.7 -1,-0.3 -62,-0.2 -62,-0.2 0.250 118.7-110.5 -92.6 13.2 15.9 4.9 49.1 648 127 C G T < 5S+ 0 0 10 -3,-1.6 2,-0.5 -64,-0.5 -3,-0.2 0.775 81.3 123.8 71.6 28.9 14.9 6.7 52.3 649 128 C L < - 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