==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-JUN-11 3SBF . COMPND 2 MOLECULE: MANDELATE RACEMASE / MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIONALES BACTERIUM SWAT-3; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,D.WICHELECKI,J.A.GERLT,S.C.ALMO . 1583 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1078 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 6.4 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 . 6 0.4 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 . 88 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 471 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.3 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 6 13 4 1 0 2 8 4 0 8 4 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 23 5 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 PARALLEL BRIDGES PER LADDER . 14 4 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 13 2 0 3 0 1 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 5 A E 0 0 167 0, 0.0 2,-0.6 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 145.0 -11.4 28.6 6.7 2 6 A T - 0 0 7 24,-0.0 60,-3.4 25,-0.0 2,-0.4 -0.906 360.0-152.5-114.3 101.1 -11.8 32.4 6.8 3 7 A I B -A 61 0A 40 -2,-0.6 24,-1.7 58,-0.2 2,-0.3 -0.587 11.7-126.8 -84.4 127.4 -8.3 33.8 7.4 4 8 A I E +B 26 0B 1 56,-2.6 55,-2.6 -2,-0.4 22,-0.3 -0.538 27.8 178.0 -70.2 126.7 -8.0 37.1 9.2 5 9 A S E - 0 0 40 20,-2.8 2,-0.3 1,-0.4 21,-0.2 0.734 59.9 -6.7-104.8 -28.0 -5.8 39.5 7.1 6 10 A D E -B 25 0B 52 19,-1.1 19,-2.7 51,-0.1 2,-0.4 -0.983 52.0-144.7-163.2 161.2 -5.8 42.7 9.2 7 11 A I E -B 24 0B 1 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.999 16.3-175.0-133.0 128.1 -7.3 44.4 12.2 8 12 A H E -B 23 0B 51 15,-2.6 15,-2.8 -2,-0.4 2,-0.4 -0.925 11.3-159.8-120.3 153.0 -8.1 48.1 12.6 9 13 A C E -B 22 0B 5 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.966 14.2-169.1-132.0 114.2 -9.4 50.1 15.5 10 14 A I E -B 21 0B 34 11,-2.8 11,-2.6 -2,-0.4 2,-0.5 -0.906 9.7-161.5-111.0 125.0 -11.1 53.4 14.7 11 15 A I E +B 20 0B 18 -2,-0.5 366,-0.4 9,-0.2 2,-0.3 -0.906 20.1 172.4 -99.3 131.0 -12.0 56.0 17.3 12 16 A T E -B 19 0B 0 7,-2.4 7,-3.4 -2,-0.5 3,-0.1 -0.995 23.5-162.9-141.1 145.8 -14.6 58.5 16.0 13 17 A K + 0 0 35 362,-2.3 5,-0.1 359,-0.3 327,-0.0 -0.560 26.1 152.8-128.9 69.1 -16.5 61.3 17.7 14 18 A P S S+ 0 0 4 0, 0.0 325,-0.2 0, 0.0 326,-0.1 0.745 79.9 7.1 -71.0 -19.9 -19.5 62.4 15.6 15 19 A D S S- 0 0 47 2,-0.5 321,-0.0 -3,-0.1 294,-0.0 -0.162 120.8 -47.4-130.2-136.8 -21.4 63.5 18.6 16 20 A R S S+ 0 0 156 -2,-0.1 2,-0.4 2,-0.0 293,-0.1 0.623 110.9 76.9 -78.9 -13.2 -20.4 63.9 22.3 17 21 A H S S- 0 0 18 291,-0.2 2,-0.9 293,-0.1 -2,-0.5 -0.839 74.7-129.9-120.0 133.0 -18.8 60.5 22.6 18 22 A N - 0 0 3 -2,-0.4 2,-0.3 21,-0.3 -5,-0.2 -0.655 37.3-163.6 -71.9 108.4 -15.6 58.9 21.5 19 23 A L E -B 12 0B 2 -7,-3.4 -7,-2.4 -2,-0.9 2,-0.5 -0.736 4.9-150.5 -99.0 149.0 -16.9 55.8 19.8 20 24 A I E -B 11 0B 0 -2,-0.3 16,-2.5 -9,-0.2 2,-0.4 -0.974 13.2-178.0-129.8 124.0 -14.7 52.8 19.1 21 25 A T E -BC 10 35B 0 -11,-2.6 -11,-2.8 -2,-0.5 2,-0.5 -0.954 13.8-151.0-121.4 135.0 -15.0 50.3 16.2 22 26 A V E -BC 9 34B 0 12,-2.7 12,-2.2 -2,-0.4 2,-0.5 -0.913 10.5-160.2-103.3 134.3 -13.0 47.3 15.4 23 27 A V E -BC 8 33B 0 -15,-2.8 -15,-2.6 -2,-0.5 2,-0.6 -0.966 1.8-164.0-113.6 126.5 -12.7 46.2 11.8 24 28 A V E -BC 7 32B 0 8,-2.6 8,-2.8 -2,-0.5 2,-0.3 -0.948 9.5-162.7-110.3 117.4 -11.6 42.6 10.9 25 29 A E E -BC 6 31B 47 -19,-2.7 -20,-2.8 -2,-0.6 -19,-1.1 -0.692 7.1-167.3 -98.5 153.7 -10.5 42.1 7.4 26 30 A T E > -B 4 0B 13 4,-0.6 3,-0.7 -22,-0.3 -22,-0.2 -0.877 35.8-120.9-135.7 164.8 -10.2 38.8 5.6 27 31 A N T 3 S+ 0 0 110 -24,-1.7 -23,-0.1 -2,-0.3 -1,-0.0 0.517 108.2 71.1 -80.6 -6.5 -8.8 37.1 2.5 28 32 A E T 3 S- 0 0 115 -25,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.143 114.0-114.3 -93.3 16.9 -12.3 36.1 1.6 29 33 A G S < S+ 0 0 65 -3,-0.7 2,-0.2 1,-0.2 -2,-0.1 0.239 79.0 128.6 70.7 -15.0 -13.2 39.7 0.8 30 34 A V - 0 0 25 -5,-0.1 -4,-0.6 1,-0.0 2,-0.4 -0.487 44.0-158.0 -77.7 138.4 -15.6 39.6 3.8 31 35 A T E -C 25 0B 39 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.967 1.5-154.5-125.3 133.8 -15.3 42.4 6.3 32 36 A G E -C 24 0B 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.4 -0.809 4.7-164.7-107.6 144.2 -16.4 42.4 10.0 33 37 A F E +C 23 0B 12 -2,-0.3 2,-0.3 60,-0.3 -10,-0.2 -0.982 13.3 169.0-127.0 138.4 -17.3 45.3 12.2 34 38 A G E -C 22 0B 0 -12,-2.2 -12,-2.7 -2,-0.4 2,-0.5 -0.969 32.2-110.2-146.4 162.2 -17.7 45.4 16.0 35 39 A C E +C 21 0B 0 -2,-0.3 -14,-0.2 54,-0.2 58,-0.2 -0.802 30.8 163.1 -99.6 128.9 -18.1 47.8 18.9 36 40 A A + 0 0 0 -16,-2.5 2,-0.7 -2,-0.5 -15,-0.2 -0.091 24.5 161.0-124.2 31.7 -15.3 48.2 21.5 37 41 A T + 0 0 0 -17,-0.4 2,-0.5 49,-0.1 243,-0.1 -0.462 17.6 153.9 -80.5 108.6 -16.6 51.4 23.0 38 42 A F > - 0 0 0 -2,-0.7 3,-1.5 1,-0.1 7,-0.2 -0.908 27.4-168.4-116.1 89.5 -15.3 52.4 26.4 39 43 A Q T 3 S+ 0 0 13 -2,-0.5 -21,-0.3 270,-0.4 -1,-0.1 0.788 75.2 55.2 -60.9 -32.6 -15.9 56.1 25.9 40 44 A Q T 3 S+ 0 0 3 1226,-0.3 -1,-0.3 1,-0.2 340,-0.1 0.654 121.3 27.0 -76.3 -17.8 -14.0 57.4 28.9 41 45 A R S X> S+ 0 0 5 -3,-1.5 4,-1.5 -23,-0.1 3,-0.9 -0.260 70.9 149.4-138.4 50.6 -10.7 55.7 27.9 42 46 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.832 70.3 56.2 -62.5 -36.3 -10.7 55.2 24.2 43 47 A L H 3> S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.817 104.8 54.2 -66.9 -28.6 -6.9 55.4 23.6 44 48 A A H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.918 109.3 47.1 -70.7 -42.2 -6.3 52.6 26.0 45 49 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 -7,-0.2 -2,-0.2 0.927 112.6 49.9 -60.8 -45.1 -8.8 50.4 24.2 46 50 A K H X S+ 0 0 63 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.915 109.8 50.6 -62.7 -42.2 -7.1 51.3 20.8 47 51 A T H X>S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 5,-0.6 0.923 110.1 51.8 -57.2 -44.5 -3.7 50.6 22.2 48 52 A M H X>S+ 0 0 1 -4,-2.2 5,-1.8 1,-0.2 4,-1.3 0.921 115.1 40.3 -60.4 -46.1 -5.0 47.2 23.4 49 53 A V H <>S+ 0 0 0 -4,-2.5 5,-2.5 3,-0.2 4,-0.2 0.958 120.6 41.9 -67.4 -49.4 -6.4 46.3 20.0 50 54 A D H <5S+ 0 0 38 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.879 125.6 29.3 -69.1 -44.3 -3.5 47.6 17.9 51 55 A E H <5S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.762 133.9 19.9 -90.2 -26.6 -0.5 46.5 19.9 52 56 A Y T X>> -A 3 0A 32 -58,-0.2 3,-1.2 -2,-0.2 -58,-0.2 -0.672 26.6-161.2 -81.2 109.5 -9.4 31.2 11.2 62 66 A A T 3 S+ 0 0 3 -60,-3.4 3,-0.2 -2,-0.7 -1,-0.2 0.690 80.0 77.6 -65.0 -20.9 -12.2 33.6 12.0 63 67 A N T 3 S+ 0 0 30 -61,-0.3 2,-1.8 1,-0.2 3,-0.3 0.860 81.3 68.9 -57.9 -36.9 -14.8 30.9 11.8 64 68 A N <> + 0 0 27 -3,-1.2 4,-2.3 1,-0.2 -1,-0.2 -0.457 58.1 158.5 -88.6 68.4 -13.9 29.6 15.2 65 69 A I H > S+ 0 0 0 -2,-1.8 4,-2.5 837,-0.6 -1,-0.2 0.868 70.0 55.2 -56.3 -43.3 -15.2 32.5 17.2 66 70 A E H > S+ 0 0 6 836,-2.2 4,-2.6 -3,-0.3 -1,-0.2 0.927 109.9 45.3 -63.3 -46.3 -15.5 30.4 20.4 67 71 A D H > S+ 0 0 13 837,-1.5 4,-2.6 835,-0.3 -1,-0.2 0.941 113.8 49.3 -59.7 -47.0 -11.9 29.3 20.4 68 72 A L H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.867 111.5 50.1 -64.0 -35.2 -10.7 32.8 19.6 69 73 A W H X S+ 0 0 26 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.954 111.6 46.1 -66.5 -50.0 -12.8 34.2 22.4 70 74 A Q H X S+ 0 0 21 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.888 115.9 48.1 -59.1 -39.0 -11.5 31.8 25.0 71 75 A M H >X S+ 0 0 1 -4,-2.6 4,-0.7 -5,-0.2 3,-0.6 0.951 112.7 46.3 -68.2 -50.6 -8.0 32.4 23.8 72 76 A M H >< S+ 0 0 4 -4,-2.8 3,-1.1 1,-0.2 4,-0.4 0.903 104.6 62.7 -57.8 -42.7 -8.2 36.2 23.8 73 77 A M H 3< S+ 0 0 19 -4,-2.7 7,-0.4 1,-0.3 -1,-0.2 0.826 116.2 28.0 -58.3 -33.4 -9.8 36.3 27.2 74 78 A V H X< S+ 0 0 11 -4,-1.0 3,-2.2 -3,-0.6 -1,-0.3 0.351 89.9 105.9-106.1 4.0 -6.8 34.8 29.0 75 79 A N T << S+ 0 0 7 -3,-1.1 1500,-0.2 -4,-0.7 -1,-0.1 0.731 82.9 45.2 -61.7 -25.5 -4.1 36.0 26.6 76 80 A A T 3 S- 0 0 3 -4,-0.4 2,-2.2 2,-0.3 1154,-0.3 0.307 101.9-133.4 -96.3 8.2 -2.8 38.6 29.0 77 81 A Y S < S+ 0 0 5 -3,-2.2 -1,-0.2 1498,-0.1 -2,-0.1 -0.523 92.7 69.8 67.1 -73.2 -2.9 36.2 31.9 78 82 A W S S+ 0 0 1 -2,-2.2 -2,-0.3 -3,-0.1 2,-0.2 -0.419 79.5 171.7 -63.9 149.8 -4.5 38.9 34.0 79 83 A R + 0 0 19 1367,-0.4 -5,-0.1 -4,-0.1 -6,-0.1 -0.831 22.3 55.1-155.1-177.4 -8.0 39.4 32.7 80 84 A N + 0 0 16 -7,-0.4 4,-0.4 -2,-0.2 179,-0.2 -0.108 57.8 111.0 63.6-175.0 -11.5 40.9 32.9 81 85 A G S > S- 0 0 1 177,-0.8 4,-2.1 1190,-0.2 5,-0.2 0.052 78.1 -82.9 92.6 155.3 -11.8 44.7 33.2 82 86 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.806 119.3 51.8 -69.6 -33.9 -13.2 47.3 30.8 83 87 A V H > S+ 0 0 3 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.982 117.0 35.7 -70.6 -53.9 -10.1 47.9 28.7 84 88 A I H > S+ 0 0 10 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.935 118.5 51.3 -62.7 -48.3 -9.3 44.3 27.8 85 89 A N H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.878 109.3 49.2 -61.8 -39.8 -13.0 43.2 27.5 86 90 A N H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.915 110.4 51.1 -65.7 -42.4 -14.0 46.1 25.2 87 91 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.939 113.3 45.5 -54.7 -49.1 -11.0 45.4 22.9 88 92 A I H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.909 108.3 57.6 -63.3 -42.1 -12.1 41.7 22.8 89 93 A S H X S+ 0 0 0 -4,-2.7 4,-3.2 191,-0.4 5,-0.3 0.896 101.9 55.0 -55.0 -45.6 -15.7 42.6 22.2 90 94 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.926 114.0 41.0 -56.4 -45.2 -14.8 44.6 19.1 91 95 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.952 114.2 52.2 -65.6 -50.3 -13.2 41.6 17.7 92 96 A D H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.928 111.8 45.8 -53.3 -49.4 -15.8 39.2 18.9 93 97 A M H X S+ 0 0 3 -4,-3.2 4,-2.2 1,-0.2 -60,-0.3 0.891 111.7 52.3 -62.9 -40.1 -18.7 41.2 17.3 94 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.859 108.5 50.7 -66.0 -34.5 -16.7 41.6 14.1 95 99 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 110.3 49.1 -68.4 -41.5 -16.2 37.8 13.9 96 100 A W H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.887 109.2 53.6 -59.4 -39.3 -19.9 37.3 14.4 97 101 A D H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.942 109.6 48.3 -60.7 -48.3 -20.5 39.9 11.7 98 102 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 111.3 49.4 -56.6 -47.2 -18.3 37.9 9.3 99 103 A K H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 112.2 47.9 -61.6 -45.1 -20.0 34.6 10.1 100 104 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.8 0.907 111.4 50.8 -64.3 -41.5 -23.4 36.1 9.5 101 105 A K H ><5S+ 0 0 45 -4,-2.7 3,-0.6 260,-0.2 -1,-0.2 0.911 109.8 49.5 -61.6 -41.9 -22.3 37.6 6.3 102 106 A L H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 112.4 48.3 -66.7 -32.9 -20.9 34.3 5.1 103 107 A A H 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.590 107.6-129.8 -75.3 -15.5 -24.2 32.6 6.0 104 108 A G T <<5 + 0 0 51 -4,-0.8 -3,-0.2 -3,-0.6 257,-0.1 0.791 68.7 121.4 65.4 30.3 -26.1 35.4 4.2 105 109 A M S > -d 362 0C 14 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.406 46.6-108.4 -59.7 148.1 -29.1 38.5 9.8 107 111 A L H >> S+ 0 0 0 255,-1.9 3,-1.1 1,-0.3 4,-1.0 0.885 116.9 56.5 -50.2 -47.3 -27.1 38.0 13.0 108 112 A H H 3>>S+ 0 0 0 1,-0.3 5,-2.0 250,-0.2 4,-0.5 0.793 98.7 62.7 -62.4 -25.1 -30.0 36.9 15.1 109 113 A Q H X45S+ 0 0 11 -3,-1.4 3,-0.8 1,-0.2 -1,-0.3 0.851 96.5 57.4 -69.3 -32.0 -30.8 34.1 12.6 110 114 A L H <<5S+ 0 0 1 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.896 102.4 57.0 -56.5 -40.7 -27.4 32.4 13.3 111 115 A F H 3<5S- 0 0 16 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.640 138.1 -76.5 -67.4 -21.3 -28.4 32.2 17.0 112 116 A G T <<5S- 0 0 0 -3,-0.8 744,-2.1 -4,-0.5 743,-0.7 0.361 73.5 -97.3 130.1 3.6 -31.5 30.2 16.3 113 117 A G < - 0 0 0 -5,-2.0 741,-0.2 741,-0.2 2,-0.1 -0.268 65.4 -20.8 88.3-170.0 -33.8 33.0 15.0 114 118 A K + 0 0 28 1,-0.1 743,-1.5 742,-0.1 210,-0.3 -0.437 31.6 177.3 -81.7 147.7 -36.5 35.1 16.6 115 119 A S S S+ 0 0 0 208,-3.2 671,-0.5 1,-0.2 2,-0.3 0.184 82.4 29.2-123.3 8.5 -38.5 34.3 19.8 116 120 A R S S- 0 0 8 207,-0.9 668,-0.2 669,-0.2 -1,-0.2 -0.957 79.0-122.3-151.7 166.8 -40.3 37.7 19.6 117 121 A D S S- 0 0 25 666,-2.5 2,-0.3 1,-0.3 240,-0.3 0.840 88.3 -23.0 -81.6 -33.2 -41.4 39.9 16.7 118 122 A A S S- 0 0 0 665,-1.0 -1,-0.3 238,-0.1 238,-0.2 -0.947 70.6-102.3-166.0 165.7 -39.5 43.0 17.9 119 123 A I E -E 355 0D 0 236,-2.4 236,-2.9 -2,-0.3 211,-0.1 -0.854 32.9-120.1-105.3 133.3 -38.2 44.3 21.2 120 124 A P E -E 354 0D 15 0, 0.0 211,-2.5 0, 0.0 2,-0.4 -0.273 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40.4 1532 346 D K H < S+ 0 0 111 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.850 110.7 46.1 -77.8 -35.8 21.3 49.2 38.2 1533 347 D V H < S+ 0 0 0 -4,-1.8 25,-2.8 1,-0.3 -2,-0.2 0.823 124.3 34.7 -75.1 -29.7 17.9 50.5 37.1 1534 348 D F S >< S- 0 0 0 -4,-2.4 3,-0.9 23,-0.2 -1,-0.3 -0.787 87.9-152.9-127.7 86.0 16.6 50.5 40.7 1535 349 D P T 3 S+ 0 0 51 0, 0.0 21,-0.5 0, 0.0 -3,-0.1 -0.207 72.9 21.6 -62.1 147.7 19.5 51.3 43.1 1536 350 D N T 3 S+ 0 0 139 1,-0.2 2,-0.5 -5,-0.2 -4,-0.1 0.685 75.2 167.4 71.9 21.6 19.4 50.0 46.7 1537 351 D A < - 0 0 10 -3,-0.9 -1,-0.2 -6,-0.2 -11,-0.1 -0.566 35.5-123.8 -68.0 118.6 17.0 47.1 46.0 1538 352 D A - 0 0 49 -2,-0.5 -1,-0.1 -36,-0.2 10,-0.0 -0.364 22.2-160.2 -65.9 139.9 17.2 44.8 49.1 1539 353 D E - 0 0 47 1,-0.1 7,-0.3 -2,-0.1 5,-0.1 -0.858 34.6 -89.2-111.2 155.4 18.0 41.1 48.7 1540 354 D P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.227 33.8-153.0 -60.6 152.4 17.1 38.5 51.4 1541 355 D I B > S-C 1544 0a 108 3,-3.0 3,-1.0 1,-0.1 -207,-0.1 -0.980 75.5 -20.3-128.8 116.5 19.6 37.9 54.2 1542 356 D N T 3 S- 0 0 113 -209,-0.5 -208,-0.2 -2,-0.4 3,-0.1 0.866 131.3 -46.5 52.2 40.6 19.5 34.4 55.8 1543 357 D G T 3 S+ 0 0 8 -210,-0.4 -232,-1.8 1,-0.2 2,-0.4 0.632 119.7 101.8 84.0 14.8 16.0 33.8 54.5 1544 358 D Y E < -BC13101541a 100 -3,-1.0 -3,-3.0 -234,-0.2 2,-0.5 -0.988 57.8-146.8-133.5 140.8 14.6 37.2 55.5 1545 359 D L E -B 1309 0a 4 -236,-2.8 -236,-2.2 -2,-0.4 2,-0.4 -0.927 18.9-151.8-102.8 128.1 13.8 40.5 53.8 1546 360 D Y - 0 0 109 -2,-0.5 -238,-0.1 -7,-0.3 -36,-0.1 -0.815 19.5-114.8 -99.3 136.6 14.3 43.6 55.9 1547 361 D A - 0 0 9 -2,-0.4 -40,-0.1 -240,-0.3 7,-0.1 -0.325 38.2 -96.5 -64.2 149.6 12.3 46.7 55.2 1548 362 D S - 0 0 33 5,-0.3 -250,-0.2 -42,-0.2 -1,-0.1 -0.374 30.7-160.6 -62.1 146.0 14.0 49.8 54.0 1549 363 D E + 0 0 111 5,-0.1 -1,-0.1 -253,-0.1 2,-0.1 0.338 58.2 91.7-118.4 5.2 14.9 52.2 56.8 1550 364 D I S S- 0 0 104 1,-0.1 -253,-0.2 -255,-0.1 2,-0.2 -0.368 93.6 -72.4 -85.8 176.2 15.5 55.5 55.0 1551 365 D A S S+ 0 0 41 -255,-0.1 3,-0.3 -2,-0.1 -260,-0.2 -0.472 101.0 7.1 -70.8 141.2 12.7 58.0 54.4 1552 366 D G B S-a 1296 0Z 0 -257,-2.7 -255,-1.9 -262,-0.2 -254,-0.2 -0.511 121.4 -38.4 92.0-161.6 10.1 57.0 51.8 1553 367 D I S S- 0 0 0 -257,-0.2 -5,-0.3 -2,-0.2 -1,-0.2 0.865 75.6-132.0 -68.4 -37.5 9.8 53.7 50.1 1554 368 D G S S+ 0 0 9 -3,-0.3 2,-0.4 1,-0.1 -5,-0.1 0.269 76.4 77.1 105.4 -10.9 13.6 53.5 49.9 1555 369 D V + 0 0 6 -52,-0.1 2,-0.2 -332,-0.1 -1,-0.1 -0.999 51.2 170.2-133.6 133.8 13.9 52.6 46.2 1556 370 D E - 0 0 86 -21,-0.5 2,-0.4 -2,-0.4 -19,-0.0 -0.507 32.8 -99.9-122.5-168.2 13.6 54.8 43.2 1557 371 D I - 0 0 12 -2,-0.2 2,-1.0 -23,-0.1 -23,-0.2 -0.969 15.5-136.1-120.8 139.9 14.3 54.5 39.5 1558 372 D D > - 0 0 67 -25,-2.8 4,-1.9 -2,-0.4 5,-0.2 -0.843 24.7-168.3 -88.5 102.6 17.3 55.8 37.5 1559 373 D R H >> S+ 0 0 103 -2,-1.0 4,-1.7 2,-0.2 3,-0.8 0.962 82.3 47.3 -60.8 -60.6 15.4 57.2 34.5 1560 374 D E H 34 S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.815 117.5 47.8 -52.3 -30.0 18.3 57.8 32.2 1561 375 D A H >4 S+ 0 0 2 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