==== 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 OXIDOREDUCTASE 14-MAY-03 1PB3 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP]; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.D.MESECAR,D.E.KOSHLAND JR. . 416 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 1 0.2 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 1 0 0 1 1 0 3 0 1 1 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 3 1 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 PARALLEL BRIDGES PER LADDER . 0 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 1 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 M 0 0 151 0, 0.0 3,-0.1 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 132.3 -35.8 -92.3 -5.4 2 2 A E - 0 0 110 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.211 360.0 -97.0 -65.7 157.5 -36.7 -94.0 -8.6 3 3 A S - 0 0 62 1,-0.1 -1,-0.1 2,-0.1 75,-0.0 -0.543 26.7-156.9 -73.5 146.2 -40.2 -94.0 -9.9 4 4 A K + 0 0 92 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.267 56.8 114.5-108.3 9.7 -42.0 -97.2 -8.9 5 5 A V - 0 0 20 61,-0.0 2,-0.6 64,-0.0 63,-0.1 -0.628 55.4-151.6 -80.9 136.5 -44.5 -96.9 -11.7 6 6 A V - 0 0 114 61,-0.4 61,-0.2 -2,-0.3 -2,-0.0 -0.930 7.9-141.1-114.0 113.3 -44.2 -99.7 -14.2 7 7 A V - 0 0 75 -2,-0.6 59,-0.1 1,-0.1 58,-0.1 -0.584 33.7-105.3 -72.0 124.1 -45.4 -98.8 -17.7 8 8 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.258 18.8-142.6 -54.5 128.9 -47.2 -101.9 -19.3 9 9 A A S S+ 0 0 105 -3,-0.0 2,-0.2 3,-0.0 -2,-0.0 0.928 95.3 41.9 -56.8 -53.9 -45.2 -103.8 -21.9 10 10 A Q S S+ 0 0 161 2,-0.0 2,-0.0 17,-0.0 0, 0.0 -0.527 96.7 79.3 -84.6 164.7 -48.2 -104.4 -24.0 11 11 A G - 0 0 19 -2,-0.2 2,-0.3 17,-0.1 52,-0.1 0.069 60.2-134.6 109.9 138.8 -50.3 -101.3 -24.2 12 12 A K B -a 27 0A 121 14,-3.6 16,-1.7 -2,-0.0 2,-0.2 -0.958 24.8-106.7-132.2 149.1 -50.3 -98.1 -26.0 13 13 A K - 0 0 76 -2,-0.3 2,-0.2 14,-0.2 82,-0.1 -0.513 30.0-122.2 -81.0 136.6 -50.8 -94.5 -24.9 14 14 A I - 0 0 1 81,-0.4 2,-0.3 14,-0.4 9,-0.2 -0.499 32.7-157.8 -70.4 143.0 -54.1 -92.7 -25.8 15 15 A T E -B 22 0B 46 7,-1.9 7,-3.5 -2,-0.2 2,-0.5 -0.824 10.1-133.8-124.1 165.7 -53.4 -89.5 -27.8 16 16 A L E +B 21 0B 34 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.977 22.2 174.9-124.4 124.9 -55.4 -86.3 -28.4 17 17 A Q E > S-B 20 0B 91 3,-2.9 3,-0.6 -2,-0.5 -2,-0.0 -0.969 72.4 -13.3-134.2 120.0 -55.8 -84.7 -31.8 18 18 A N T 3 S- 0 0 173 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.923 127.7 -56.0 60.0 44.5 -58.0 -81.7 -32.5 19 19 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.771 117.3 113.7 59.4 27.9 -59.6 -82.0 -29.1 20 20 A K E < -B 17 0B 143 -3,-0.6 -3,-2.9 2,-0.0 2,-0.2 -0.997 67.4-120.9-133.8 130.7 -60.6 -85.6 -29.9 21 21 A L E -B 16 0B 27 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.468 13.8-156.1 -71.7 136.2 -59.2 -88.7 -28.2 22 22 A N E -B 15 0B 83 -7,-3.5 -7,-1.9 -2,-0.2 -1,-0.1 -0.903 18.2-168.6-113.7 100.8 -57.5 -91.3 -30.3 23 23 A V - 0 0 29 -2,-0.7 -9,-0.1 344,-0.2 -10,-0.1 -0.803 8.8-144.8 -97.8 120.0 -57.9 -94.5 -28.3 24 24 A P - 0 0 13 0, 0.0 -10,-0.1 0, 0.0 -1,-0.0 -0.078 29.1-108.4 -70.3-179.9 -55.9 -97.6 -29.3 25 25 A E S S+ 0 0 114 1,-0.3 37,-2.6 36,-0.1 -2,-0.0 0.715 119.2 41.1 -81.3 -17.4 -57.2 -101.2 -29.0 26 26 A N S S- 0 0 39 35,-0.2 -14,-3.6 37,-0.1 -1,-0.3 -0.482 83.7-179.6-128.9 62.6 -54.8 -101.7 -26.1 27 27 A P B -a 12 0A 0 0, 0.0 37,-3.2 0, 0.0 2,-0.6 -0.315 26.8-131.7 -69.7 141.8 -54.8 -98.4 -24.1 28 28 A I E -c 64 0C 6 -16,-1.7 -14,-0.4 35,-0.2 69,-0.3 -0.817 27.1-168.4 -88.2 125.9 -52.7 -97.9 -21.0 29 29 A I E -c 65 0C 0 35,-2.1 37,-2.4 -2,-0.6 69,-0.2 -0.956 12.2-142.9-121.0 113.8 -55.0 -96.6 -18.3 30 30 A P E -c 66 0C 0 0, 0.0 69,-1.7 0, 0.0 2,-0.4 -0.492 22.2-173.2 -70.2 144.1 -53.4 -95.3 -15.1 31 31 A Y E -cd 67 99C 36 35,-2.1 37,-2.7 67,-0.2 2,-0.6 -1.000 21.0-146.7-141.2 142.3 -55.4 -96.0 -11.9 32 32 A I E -cd 68 100C 3 67,-2.4 69,-2.0 -2,-0.4 37,-0.1 -0.935 14.6-146.6-104.5 120.4 -55.0 -94.9 -8.2 33 33 A E - 0 0 43 -2,-0.6 9,-0.3 35,-0.5 -1,-0.1 0.905 35.6-137.8 -55.6 -42.7 -56.1 -97.7 -5.9 34 34 A G - 0 0 7 36,-0.3 69,-0.2 67,-0.3 8,-0.1 0.035 16.8 -82.7 96.0 152.7 -57.5 -95.3 -3.2 35 35 A D S > S- 0 0 11 67,-2.4 3,-2.0 3,-0.1 2,-0.0 -0.327 91.5 -1.8 -84.2 169.4 -57.1 -95.4 0.5 36 36 A G T > S+ 0 0 26 1,-0.3 3,-1.8 2,-0.2 306,-0.2 -0.265 139.9 11.5 54.7-123.8 -59.3 -97.3 2.9 37 37 A I T >> S+ 0 0 6 304,-2.2 4,-2.9 1,-0.3 3,-1.7 0.522 106.6 89.6 -66.3 -5.4 -62.1 -99.3 1.0 38 38 A G H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.3 -1,-0.3 0.850 80.3 64.0 -56.8 -29.0 -60.3 -98.5 -2.3 39 39 A V H <4 S+ 0 0 65 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.786 111.4 35.0 -65.7 -24.1 -58.5 -101.7 -1.5 40 40 A D H <> S+ 0 0 14 -3,-1.7 4,-0.9 -4,-0.2 -2,-0.2 0.857 121.9 41.6 -94.3 -47.4 -61.9 -103.4 -1.8 41 41 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -3,-0.2 0.850 103.9 61.6 -77.8 -33.7 -63.6 -101.5 -4.6 42 42 A T H X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.943 104.4 48.0 -62.0 -47.4 -60.8 -101.0 -7.1 43 43 A P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.856 110.9 52.4 -61.7 -31.4 -60.2 -104.7 -7.7 44 44 A A H X S+ 0 0 10 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.891 111.0 48.3 -66.5 -39.7 -63.9 -105.2 -8.2 45 45 A M H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.925 108.6 52.5 -66.6 -45.1 -63.9 -102.4 -10.7 46 46 A L H X S+ 0 0 31 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.927 113.4 44.7 -58.1 -43.2 -60.8 -103.8 -12.6 47 47 A K H X S+ 0 0 113 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.908 114.0 47.7 -66.9 -46.2 -62.6 -107.1 -13.0 48 48 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 114.1 46.9 -63.3 -45.0 -65.9 -105.7 -14.0 49 49 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.939 111.4 50.9 -64.2 -44.8 -64.4 -103.4 -16.6 50 50 A D H X S+ 0 0 64 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.916 111.4 49.2 -59.7 -42.0 -62.2 -106.1 -18.0 51 51 A A H X S+ 0 0 26 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.919 111.2 48.4 -63.1 -44.7 -65.2 -108.4 -18.4 52 52 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 114.8 45.7 -62.8 -41.3 -67.3 -105.7 -20.1 53 53 A V H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 6,-0.4 0.927 113.5 49.3 -68.4 -43.8 -64.5 -104.9 -22.5 54 54 A E H X>S+ 0 0 114 -4,-2.8 5,-0.8 -5,-0.3 4,-0.6 0.929 115.5 43.9 -61.3 -45.8 -63.9 -108.5 -23.2 55 55 A K H <5S+ 0 0 106 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.871 114.3 47.8 -68.6 -39.0 -67.6 -109.2 -23.8 56 56 A A H <5S+ 0 0 26 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.906 124.3 27.5 -69.5 -43.3 -68.3 -106.1 -26.0 57 57 A Y H ><5S- 0 0 21 -4,-2.1 3,-2.5 -5,-0.2 -1,-0.2 0.225 99.0-125.1-109.2 13.9 -65.3 -106.4 -28.3 58 58 A K T 3<5S- 0 0 179 -4,-0.6 -3,-0.2 1,-0.3 -4,-0.1 0.831 75.5 -48.0 46.3 44.7 -64.7 -110.1 -28.3 59 59 A G T 3 S- 0 0 0 12,-3.6 4,-1.3 -2,-0.3 3,-0.4 -0.568 115.5 -16.1 97.5-157.7 -52.6 -90.5 -0.8 72 72 A E H > S+ 0 0 72 1,-0.2 4,-1.7 -2,-0.2 3,-0.4 0.904 135.2 52.9 -54.7 -45.9 -51.7 -92.8 2.1 73 73 A K H > S+ 0 0 49 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.859 102.4 59.8 -61.7 -33.4 -50.4 -95.5 -0.2 74 74 A S H > S+ 0 0 0 -3,-0.4 4,-4.1 2,-0.2 5,-0.5 0.892 104.5 48.9 -61.0 -38.7 -48.1 -93.0 -1.9 75 75 A T H X S+ 0 0 21 -4,-1.3 4,-1.5 -3,-0.4 -1,-0.2 0.897 110.3 52.3 -68.9 -34.8 -46.4 -92.3 1.4 76 76 A Q H < S+ 0 0 127 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.898 120.2 34.0 -66.0 -36.9 -46.1 -96.0 1.8 77 77 A V H < S+ 0 0 25 -4,-2.4 -2,-0.2 5,-0.2 -3,-0.2 0.906 132.9 24.6 -86.0 -45.3 -44.4 -96.2 -1.7 78 78 A Y H < S- 0 0 22 -4,-4.1 -3,-0.2 4,-0.3 -2,-0.2 0.487 114.1 -99.9-104.4 0.1 -42.5 -93.0 -2.0 79 79 A G >< - 0 0 29 -4,-1.5 3,-2.3 -5,-0.5 -1,-0.3 -0.158 57.3 -29.7 104.5 158.1 -41.9 -92.2 1.6 80 80 A Q T 3 S+ 0 0 180 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.105 126.0 16.9 -45.5 135.8 -43.2 -90.0 4.4 81 81 A D T 3 S+ 0 0 120 1,-0.2 2,-1.4 2,-0.0 3,-0.3 0.376 86.5 116.8 78.3 -4.9 -44.7 -86.8 3.0 82 82 A V < + 0 0 41 -3,-2.3 -4,-0.3 1,-0.2 -1,-0.2 -0.692 26.4 146.6 -93.4 82.9 -45.1 -87.9 -0.6 83 83 A W S S+ 0 0 41 -2,-1.4 -12,-3.6 1,-0.3 -9,-0.2 0.809 76.5 17.1 -85.8 -30.9 -48.9 -87.6 -0.6 84 84 A L S S- 0 0 36 -3,-0.3 -1,-0.3 -14,-0.2 -14,-0.1 -0.763 81.7-151.9-143.5 93.1 -49.1 -86.5 -4.3 85 85 A P >> - 0 0 13 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.301 21.1-125.4 -69.3 147.4 -46.0 -87.2 -6.4 86 86 A A H 3> S+ 0 0 68 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.842 109.9 64.4 -56.8 -34.5 -45.3 -84.9 -9.3 87 87 A E H 3> S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.793 94.9 59.4 -63.0 -28.0 -45.1 -88.0 -11.5 88 88 A T H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.918 107.2 44.2 -67.9 -41.9 -48.8 -88.7 -10.8 89 89 A L H X S+ 0 0 27 -4,-1.0 4,-2.1 -3,-0.3 -2,-0.2 0.931 116.1 49.7 -64.7 -41.7 -49.8 -85.3 -12.3 90 90 A D H X S+ 0 0 104 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 111.4 47.7 -61.4 -48.1 -47.4 -86.0 -15.2 91 91 A L H X S+ 0 0 18 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.863 109.6 50.9 -65.6 -37.4 -48.7 -89.4 -15.9 92 92 A I H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 241,-0.3 0.939 113.9 45.8 -66.9 -42.7 -52.4 -88.5 -15.8 93 93 A R H < S+ 0 0 93 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 115.4 47.3 -64.5 -39.3 -51.8 -85.7 -18.3 94 94 A E H < S+ 0 0 70 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 117.2 39.4 -71.0 -42.1 -49.6 -87.9 -20.5 95 95 A Y H < S- 0 0 13 -4,-2.4 2,-1.4 -5,-0.2 -81,-0.4 0.457 94.5-148.3 -91.3 -0.9 -52.0 -90.9 -20.7 96 96 A R S < S+ 0 0 32 -4,-0.9 237,-1.3 -3,-0.2 2,-0.4 0.003 70.3 57.2 66.4 -30.6 -55.1 -88.7 -20.9 97 97 A V E + e 0 333C 0 -2,-1.4 2,-0.3 -69,-0.3 237,-0.2 -0.995 60.4 152.1-137.9 129.8 -57.6 -91.0 -19.1 98 98 A A E - e 0 334C 1 235,-1.6 237,-3.0 -2,-0.4 2,-0.3 -0.945 23.9-147.7-151.0 166.0 -57.3 -92.3 -15.5 99 99 A I E -de 31 335C 0 -69,-1.7 -67,-2.4 -2,-0.3 2,-0.3 -0.981 11.0-166.3-140.5 150.9 -59.4 -93.5 -12.6 100 100 A K E -de 32 336C 3 235,-1.9 237,-2.0 -2,-0.3 -67,-0.2 -0.986 16.9-135.4-142.0 152.0 -59.1 -93.4 -8.8 101 101 A G - 0 0 0 -69,-2.0 -67,-0.3 -2,-0.3 -66,-0.1 -0.149 61.6 -56.9 -83.1-171.3 -60.6 -94.9 -5.6 102 102 A P - 0 0 4 0, 0.0 -67,-2.4 0, 0.0 2,-0.4 -0.380 57.6-146.8 -70.5 150.0 -61.3 -92.6 -2.6 103 103 A L - 0 0 13 -69,-0.2 2,-0.5 -3,-0.1 238,-0.2 -0.917 2.6-142.3-121.3 145.5 -58.4 -90.6 -1.2 104 104 A T - 0 0 54 -2,-0.4 -32,-0.2 236,-0.1 -70,-0.0 -0.903 6.8-157.2-110.6 133.9 -57.6 -89.5 2.3 105 105 A T - 0 0 41 -2,-0.5 8,-0.1 -34,-0.1 2,-0.0 -0.908 26.3-122.3-100.8 130.3 -56.0 -86.1 3.1 106 106 A P - 0 0 29 0, 0.0 5,-0.4 0, 0.0 2,-0.3 -0.336 18.0-137.1 -73.3 156.6 -54.2 -86.1 6.4 107 107 A V S S+ 0 0 144 1,-0.1 5,-0.1 3,-0.1 0, 0.0 -0.853 77.9 36.8-111.5 146.3 -55.1 -83.6 9.2 108 108 A G S S+ 0 0 80 -2,-0.3 -1,-0.1 3,-0.1 0, 0.0 0.336 97.6 78.0 98.4 -8.8 -52.5 -81.7 11.3 109 109 A G S S- 0 0 55 -3,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.226 101.8-112.0-117.7 16.5 -50.0 -81.0 8.7 110 110 A G + 0 0 80 1,-0.2 2,-0.5 -4,-0.0 -3,-0.1 0.832 65.3 148.0 60.9 30.6 -51.6 -78.2 6.8 111 111 A I - 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0 0 23 -3,-0.2 2,-0.6 -6,-0.2 -1,-0.2 -0.579 49.7-132.4 -93.3 152.5 -82.5 -109.4 -0.6 401 401 A K E -o 388 0E 132 -14,-2.9 -12,-1.4 -2,-0.2 2,-0.4 -0.922 27.2-132.6-101.5 120.3 -79.5 -111.7 -1.0 402 402 A L E -o 389 0E 95 -2,-0.6 2,-0.3 -14,-0.2 -12,-0.2 -0.566 28.3-173.2 -74.0 126.1 -76.5 -110.2 0.8 403 403 A L - 0 0 16 -14,-2.9 -12,-0.4 -2,-0.4 -9,-0.1 -0.878 23.7-118.0-121.6 156.6 -73.3 -110.2 -1.2 404 404 A K > - 0 0 103 -2,-0.3 4,-2.0 -14,-0.1 -54,-0.3 -0.306 41.1-100.8 -76.0 168.9 -69.7 -109.3 -0.5 405 405 A C H > S+ 0 0 0 -56,-2.6 4,-1.6 1,-0.2 3,-0.4 0.957 125.9 45.4 -56.7 -53.7 -68.1 -106.4 -2.4 406 406 A S H > S+ 0 0 48 -57,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.883 111.1 54.2 -58.3 -40.8 -66.3 -108.9 -4.8 407 407 A E H > S+ 0 0 71 -58,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.831 104.4 53.4 -65.0 -33.9 -69.5 -110.9 -5.1 408 408 A F H X S+ 0 0 2 -4,-2.0 4,-2.0 -3,-0.4 -1,-0.2 0.847 104.2 56.7 -70.2 -34.1 -71.5 -107.9 -6.2 409 409 A G H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.950 109.1 46.5 -60.1 -45.6 -68.8 -107.2 -8.9 410 410 A D H X S+ 0 0 52 -4,-1.9 4,-3.5 1,-0.2 -2,-0.2 0.901 107.5 56.4 -62.9 -39.8 -69.6 -110.8 -10.2 411 411 A A H X S+ 0 0 1 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.884 106.3 50.7 -59.0 -38.8 -73.3 -110.2 -10.0 412 412 A I H >< S+ 0 0 0 -4,-2.0 3,-0.7 2,-0.2 -1,-0.2 0.949 113.0 45.2 -63.7 -47.6 -72.8 -107.1 -12.3 413 413 A I H >< S+ 0 0 45 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.927 109.3 56.6 -60.0 -46.4 -70.8 -109.3 -14.8 414 414 A E H 3< S+ 0 0 146 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.733 107.9 49.7 -58.1 -24.1 -73.5 -112.1 -14.5 415 415 A N T << 0 0 52 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.341 360.0 360.0 -99.4 7.2 -76.1 -109.6 -15.5 416 416 A M < 0 0 24 -3,-2.0 -41,-0.1 -4,-0.2 -40,-0.1 -0.374 360.0 360.0 -75.5 360.0 -74.3 -108.2 -18.6