==== 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 1PB1 . 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) . 19428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 69.2 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 . 31 7.5 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 . 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 . 29 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 32.0 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 3 1 0 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 0 142 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.6 -36.0 -92.1 -5.8 2 2 A E - 0 0 120 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.429 360.0 -74.0 -87.2 166.1 -36.8 -93.4 -9.3 3 3 A S - 0 0 62 1,-0.1 -1,-0.2 -2,-0.1 75,-0.0 -0.273 32.3-160.1 -61.1 149.6 -40.4 -93.9 -10.5 4 4 A K + 0 0 89 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.182 58.6 110.5-114.1 11.8 -42.1 -96.9 -9.1 5 5 A V - 0 0 21 61,-0.0 2,-0.6 64,-0.0 63,-0.1 -0.678 58.5-148.4 -88.4 141.0 -44.6 -97.0 -11.8 6 6 A V - 0 0 115 61,-0.4 61,-0.2 -2,-0.3 -2,-0.0 -0.933 8.4-142.9-114.6 111.1 -44.4 -99.8 -14.4 7 7 A V - 0 0 78 -2,-0.6 59,-0.1 1,-0.1 58,-0.1 -0.573 34.0-105.1 -70.9 125.8 -45.6 -98.9 -17.9 8 8 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.288 19.0-141.3 -57.4 131.7 -47.4 -102.0 -19.4 9 9 A A S S+ 0 0 103 -3,-0.0 2,-0.3 3,-0.0 -2,-0.0 0.899 95.8 41.7 -60.3 -48.0 -45.4 -103.9 -22.0 10 10 A Q S S+ 0 0 153 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.693 96.8 81.2 -91.7 157.8 -48.4 -104.5 -24.2 11 11 A G - 0 0 21 -2,-0.3 2,-0.4 17,-0.1 52,-0.1 -0.123 58.9-135.3 119.4 140.8 -50.5 -101.4 -24.3 12 12 A K B -a 27 0A 116 14,-3.7 16,-1.8 -2,-0.1 2,-0.2 -0.963 24.8-107.4-133.9 148.4 -50.5 -98.1 -26.2 13 13 A K - 0 0 70 -2,-0.4 2,-0.2 14,-0.2 82,-0.1 -0.539 29.1-122.7 -79.4 136.0 -51.1 -94.5 -25.1 14 14 A I - 0 0 1 81,-0.4 2,-0.3 14,-0.4 9,-0.2 -0.499 33.3-158.5 -70.7 144.3 -54.3 -92.7 -25.9 15 15 A T E -B 22 0B 41 7,-2.0 7,-3.3 -2,-0.2 2,-0.5 -0.812 11.0-133.5-126.0 166.4 -53.6 -89.5 -27.9 16 16 A L E +B 21 0B 36 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.982 22.1 172.9-126.6 124.3 -55.5 -86.3 -28.5 17 17 A Q E > S-B 20 0B 98 3,-2.6 3,-0.6 -2,-0.5 -2,-0.0 -0.977 74.5 -13.9-132.1 115.2 -55.9 -84.7 -31.9 18 18 A N T 3 S- 0 0 176 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.870 125.8 -54.8 64.1 39.8 -58.2 -81.7 -32.4 19 19 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 311,-0.1 -1,-0.2 0.773 117.6 113.7 65.6 21.1 -59.9 -82.1 -29.0 20 20 A K E < -B 17 0B 150 -3,-0.6 -3,-2.6 2,-0.0 2,-0.2 -0.986 66.8-127.8-129.6 127.4 -60.8 -85.7 -30.0 21 21 A L E -B 16 0B 29 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.488 10.8-153.4 -71.9 137.8 -59.4 -88.7 -28.3 22 22 A N E -B 15 0B 81 -7,-3.3 -7,-2.0 -2,-0.2 -1,-0.1 -0.931 18.8-167.5-112.1 104.5 -57.7 -91.3 -30.5 23 23 A V - 0 0 30 -2,-0.7 -9,-0.1 -9,-0.2 -10,-0.1 -0.851 7.2-147.8-100.9 115.8 -58.1 -94.5 -28.5 24 24 A P - 0 0 14 0, 0.0 -10,-0.1 0, 0.0 -12,-0.0 -0.090 30.2-107.9 -69.8 176.5 -56.2 -97.7 -29.5 25 25 A E S S+ 0 0 112 1,-0.3 37,-2.7 36,-0.1 -2,-0.0 0.675 119.0 42.1 -78.4 -15.5 -57.5 -101.2 -29.1 26 26 A N S S+ 0 0 41 35,-0.2 -14,-3.7 37,-0.1 -1,-0.3 -0.468 82.7 178.2-129.5 62.5 -55.0 -101.7 -26.2 27 27 A P B -a 12 0A 0 0, 0.0 37,-3.0 0, 0.0 2,-0.6 -0.331 28.3-130.1 -69.9 141.7 -55.1 -98.4 -24.2 28 28 A I E -c 64 0C 6 -16,-1.8 -14,-0.4 35,-0.2 69,-0.3 -0.825 27.0-167.4 -88.6 126.0 -52.9 -98.0 -21.1 29 29 A I E -c 65 0C 0 35,-2.2 37,-2.6 -2,-0.6 2,-0.2 -0.957 11.4-144.1-120.6 113.9 -55.2 -96.7 -18.3 30 30 A P E -c 66 0C 0 0, 0.0 69,-1.8 0, 0.0 2,-0.4 -0.521 22.0-173.0 -70.6 141.0 -53.6 -95.3 -15.1 31 31 A Y E -cd 67 99C 36 35,-2.1 37,-2.6 67,-0.2 2,-0.6 -0.997 20.1-147.6-137.4 145.5 -55.6 -96.1 -12.0 32 32 A I E -cd 68 100C 3 67,-2.2 69,-2.1 -2,-0.4 37,-0.1 -0.952 13.3-146.6-108.9 120.5 -55.2 -95.0 -8.3 33 33 A E - 0 0 42 -2,-0.6 9,-0.3 35,-0.5 -1,-0.1 0.908 38.1-138.2 -53.6 -45.1 -56.3 -97.7 -5.9 34 34 A G - 0 0 10 36,-0.3 69,-0.2 67,-0.2 5,-0.1 -0.032 18.0 -73.7 98.7 155.4 -57.6 -95.1 -3.3 35 35 A D S > S- 0 0 12 67,-2.5 3,-2.0 3,-0.1 4,-0.0 -0.337 95.1 -9.8 -76.3 164.0 -57.4 -94.9 0.5 36 36 A G T > S+ 0 0 26 1,-0.3 3,-1.9 2,-0.2 306,-0.2 -0.217 140.0 15.6 52.3-121.5 -59.5 -97.1 2.8 37 37 A I T >> S+ 0 0 7 304,-2.4 4,-3.0 1,-0.3 3,-1.7 0.528 103.4 91.2 -66.0 -3.7 -62.1 -99.1 0.9 38 38 A G H <> S+ 0 0 0 -3,-2.0 4,-2.0 1,-0.3 -1,-0.3 0.855 80.4 63.6 -56.2 -29.8 -60.3 -98.3 -2.4 39 39 A V H <4 S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.790 111.0 34.7 -66.2 -23.9 -58.6 -101.6 -1.5 40 40 A D H <> S+ 0 0 12 -3,-1.7 4,-0.8 -4,-0.2 -2,-0.2 0.867 122.2 42.0 -95.1 -47.2 -62.0 -103.4 -1.9 41 41 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -3,-0.2 0.865 103.9 61.7 -75.7 -34.8 -63.7 -101.5 -4.6 42 42 A T H X S+ 0 0 2 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.948 104.1 47.5 -60.1 -50.4 -60.9 -101.0 -7.1 43 43 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.849 111.5 52.4 -60.2 -31.5 -60.2 -104.7 -7.8 44 44 A A H X S+ 0 0 11 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.910 110.3 48.2 -67.0 -41.7 -64.0 -105.2 -8.3 45 45 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.921 109.4 52.8 -64.3 -44.1 -64.0 -102.3 -10.8 46 46 A L H X S+ 0 0 32 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.924 112.9 44.1 -59.1 -42.8 -61.0 -103.8 -12.7 47 47 A K H X S+ 0 0 113 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.894 114.8 47.9 -69.7 -39.8 -62.7 -107.1 -13.0 48 48 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 113.5 47.5 -68.4 -42.9 -66.0 -105.7 -14.0 49 49 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.934 110.8 51.2 -65.4 -43.1 -64.5 -103.4 -16.6 50 50 A D H X S+ 0 0 61 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.910 111.0 48.9 -61.7 -40.1 -62.4 -106.1 -18.1 51 51 A A H X S+ 0 0 25 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.900 111.4 48.3 -65.1 -43.5 -65.4 -108.4 -18.5 52 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 114.8 46.7 -63.4 -41.4 -67.5 -105.6 -20.1 53 53 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 6,-0.4 0.935 114.3 47.2 -66.2 -45.8 -64.6 -104.9 -22.5 54 54 A E H X>S+ 0 0 120 -4,-2.8 4,-0.7 -5,-0.3 5,-0.5 0.902 115.2 45.1 -62.5 -42.6 -64.1 -108.5 -23.2 55 55 A K H <5S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.5 47.7 -72.0 -35.3 -67.8 -109.2 -23.8 56 56 A A H <5S+ 0 0 25 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.895 124.0 27.1 -73.9 -41.6 -68.5 -106.1 -25.9 57 57 A Y H ><5S- 0 0 25 -4,-2.2 3,-2.8 -5,-0.2 -1,-0.2 0.184 97.7-125.4-112.2 14.5 -65.5 -106.4 -28.3 58 58 A K T 3<5S- 0 0 178 -4,-0.7 -3,-0.2 1,-0.3 -4,-0.1 0.754 75.3 -48.1 51.1 34.3 -64.9 -110.1 -28.3 59 59 A G T 3 > S- 0 0 0 12,-3.5 4,-1.4 -2,-0.3 3,-0.6 -0.586 115.7 -17.8 97.8-159.0 -52.7 -90.8 -0.8 72 72 A E H >> S+ 0 0 79 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.910 136.0 52.9 -51.7 -49.7 -51.6 -93.1 2.0 73 73 A K H 3> S+ 0 0 51 -3,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.845 102.5 59.6 -57.6 -34.1 -50.3 -95.7 -0.4 74 74 A S H <> S+ 0 0 0 -3,-0.6 4,-3.9 1,-0.2 5,-0.4 0.900 104.2 49.4 -62.3 -37.6 -48.3 -93.1 -2.2 75 75 A T H < - 0 0 29 -4,-1.5 3,-2.3 -5,-0.4 -1,-0.2 -0.173 56.5 -9.4 97.4 169.3 -41.9 -92.3 1.3 80 80 A Q T 3 S+ 0 0 187 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.042 126.3 5.5 -44.1 130.3 -42.8 -89.9 4.1 81 81 A D T 3 S+ 0 0 117 1,-0.2 2,-1.3 2,-0.0 3,-0.3 0.439 88.3 122.4 74.3 0.0 -44.7 -86.8 2.9 82 82 A V < + 0 0 43 -3,-2.3 -4,-0.3 1,-0.2 -5,-0.2 -0.674 22.7 147.4 -93.6 80.9 -45.2 -87.9 -0.7 83 83 A W S S+ 0 0 55 -2,-1.3 -12,-3.5 1,-0.3 -9,-0.2 0.800 76.0 17.4 -83.6 -31.3 -49.0 -87.7 -0.7 84 84 A L S S- 0 0 37 -3,-0.3 -1,-0.3 -14,-0.2 -14,-0.1 -0.777 83.1-150.5-143.8 92.7 -49.3 -86.7 -4.4 85 85 A P >> - 0 0 12 0, 0.0 3,-1.1 0, 0.0 4,-1.1 -0.318 20.0-126.2 -67.9 146.3 -46.2 -87.3 -6.5 86 86 A A H >> S+ 0 0 70 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.892 110.2 64.1 -56.0 -39.4 -45.5 -85.0 -9.4 87 87 A E H 3> S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.809 95.9 58.2 -58.4 -28.0 -45.2 -88.1 -11.6 88 88 A T H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.915 107.6 45.1 -68.0 -40.3 -48.9 -88.8 -10.9 89 89 A L H - 0 0 43 -2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.070 40.7-152.4 -33.8 121.4 -57.7 -81.6 -0.2 114 114 A L H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.836 98.2 54.4 -68.1 -32.8 -55.8 -84.1 -2.4 115 115 A N H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 111.3 44.1 -64.7 -44.7 -59.0 -84.5 -4.6 116 116 A V H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.863 110.0 56.6 -67.1 -36.7 -59.1 -80.7 -5.1 117 117 A A H X S+ 0 0 22 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.923 107.2 48.5 -60.5 -44.7 -55.3 -80.7 -5.7 118 118 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 6,-0.3 0.955 114.0 47.4 -60.1 -50.0 -55.7 -83.2 -8.6 119 119 A R H <>S+ 0 0 18 -4,-2.0 5,-2.4 1,-0.2 -2,-0.2 0.913 118.1 39.1 -57.5 -48.4 -58.5 -81.2 -10.1 120 120 A Q H ><5S+ 0 0 68 -4,-3.0 3,-0.9 3,-0.2 -2,-0.2 0.907 114.1 51.4 -73.3 -42.9 -56.8 -77.9 -9.9 121 121 A E H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.814 118.0 39.3 -63.3 -33.9 -53.3 -79.0 -10.8 122 122 A L T 3<5S- 0 0 25 -4,-1.8 209,-0.3 -5,-0.3 -1,-0.3 0.359 107.7-126.5 -96.7 4.2 -54.6 -80.7 -13.9 123 123 A D T < 5 + 0 0 72 -3,-0.9 2,-1.8 1,-0.2 207,-0.4 0.863 44.6 167.9 50.5 43.8 -57.0 -78.0 -14.7 124 124 A L < + 0 0 1 -5,-2.4 205,-0.3 -6,-0.3 204,-0.2 -0.581 7.0 175.6 -85.6 77.3 -60.0 -80.5 -14.8 125 125 A Y + 0 0 18 -2,-1.8 30,-2.4 -3,-0.1 2,-0.5 0.508 52.6 72.0 -68.7 -8.1 -62.5 -77.6 -14.7 126 126 A I E -FG 154 328C 12 202,-2.0 202,-2.7 28,-0.2 2,-0.7 -0.940 57.6-168.5-112.6 122.6 -65.6 -79.8 -15.2 127 127 A C E -FG 153 327C 0 26,-2.4 26,-2.9 -2,-0.5 2,-0.6 -0.950 19.7-159.9-105.8 111.9 -66.8 -81.9 -12.3 128 128 A L E +FG 152 326C 15 198,-3.0 198,-1.6 -2,-0.7 24,-0.2 -0.836 17.9 171.8-102.6 117.5 -69.4 -84.1 -14.0 129 129 A R E -F 151 0C 18 22,-2.6 22,-2.4 -2,-0.6 2,-0.3 -0.841 10.4-168.8-127.7 94.1 -72.0 -85.8 -11.9 130 130 A P E -F 150 0C 31 0, 0.0 2,-0.5 0, 0.0 20,-0.3 -0.653 8.6-163.8 -79.8 137.3 -74.9 -87.6 -13.6 131 131 A V E +F 149 0C 12 18,-3.7 18,-2.4 -2,-0.3 2,-0.3 -0.942 21.1 147.8-128.5 115.6 -77.7 -88.6 -11.3 132 132 A R E -F 148 0C 84 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.843 43.6-106.1-132.8 172.1 -80.3 -91.2 -12.2 133 133 A Y - 0 0 47 14,-0.6 2,-0.6 -2,-0.3 185,-0.1 -0.820 19.6-147.8-101.8 138.7 -82.4 -93.8 -10.3 134 134 A Y > - 0 0 19 183,-0.4 3,-2.1 -2,-0.4 11,-0.0 -0.932 32.7-111.8-105.4 117.1 -81.7 -97.5 -10.6 135 135 A Q T 3 S+ 0 0 128 -2,-0.6 -1,-0.0 1,-0.3 0, 0.0 -0.123 102.4 28.1 -46.8 132.5 -84.9 -99.5 -10.3 136 136 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 250,-0.1 245,-0.0 0.351 84.1 134.0 96.7 -8.6 -85.0 -101.5 -7.1 137 137 A T < - 0 0 4 -3,-2.1 2,-0.4 180,-0.1 -1,-0.3 -0.613 63.4-117.2 -77.1 127.8 -82.7 -99.1 -5.1 138 138 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 259,-0.1 -0.567 43.4-175.6 -67.4 123.8 -84.0 -98.4 -1.6 139 139 A S - 0 0 34 -2,-0.4 178,-0.1 2,-0.2 177,-0.1 -0.930 36.2-137.8-126.4 145.9 -84.7 -94.6 -1.6 140 140 A P S S+ 0 0 108 0, 0.0 2,-0.2 0, 0.0 176,-0.1 0.599 85.9 72.7 -74.7 -11.7 -85.8 -92.1 1.1 141 141 A V S S- 0 0 42 175,-0.7 -2,-0.2 1,-0.1 149,-0.0 -0.681 81.5-126.4-106.4 160.6 -88.2 -90.4 -1.3 142 142 A K S S+ 0 0 187 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.851 102.3 25.4 -70.1 -39.1 -91.5 -91.4 -2.8 143 143 A H > + 0 0 105 1,-0.1 3,-1.6 2,-0.0 -1,-0.2 -0.460 61.6 152.3-129.2 67.9 -90.6 -90.9 -6.5 144 144 A P G > + 0 0 7 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.764 68.1 74.4 -65.3 -24.0 -86.8 -91.2 -7.1 145 145 A E G 3 S+ 0 0 104 1,-0.3 -12,-0.2 -3,-0.1 -10,-0.1 0.715 83.1 68.8 -63.5 -19.2 -87.5 -92.4 -10.7 146 146 A L G < S+ 0 0 80 -3,-1.6 2,-0.6 -14,-0.1 -1,-0.3 0.559 81.5 92.3 -75.3 -7.3 -88.4 -88.8 -11.6 147 147 A T < + 0 0 2 -3,-2.0 -14,-0.6 -4,-0.1 2,-0.2 -0.805 37.2 144.3 -95.6 119.5 -84.8 -87.8 -11.1 148 148 A D E +F 132 0C 87 -2,-0.6 2,-0.3 148,-0.4 -16,-0.2 -0.663 26.6 144.8-153.1 85.3 -82.6 -87.9 -14.2 149 149 A M E -F 131 0C 1 -18,-2.4 -18,-3.7 -2,-0.2 2,-0.4 -0.810 38.4-148.9-126.9 162.4 -80.1 -85.0 -14.1 150 150 A V E -Fh 130 298C 2 147,-2.4 149,-2.9 -20,-0.3 2,-0.5 -0.968 18.0-151.6-135.0 116.3 -76.5 -84.2 -15.1 151 151 A I E -Fh 129 299C 0 -22,-2.4 -22,-2.6 -2,-0.4 2,-0.8 -0.795 9.6-166.8 -97.9 126.2 -74.5 -81.8 -13.0 152 152 A F E -Fh 128 300C 7 147,-3.1 149,-2.3 -2,-0.5 2,-0.5 -0.907 17.5-172.1-105.3 101.0 -71.7 -79.7 -14.5 153 153 A R E -Fh 127 301C 2 -26,-2.9 -26,-2.4 -2,-0.8 2,-0.2 -0.842 27.6-118.6-100.0 125.9 -70.0 -78.3 -11.4 154 154 A E E -F 126 0C 2 147,-2.8 -28,-0.2 -2,-0.5 152,-0.1 -0.465 31.7-174.3 -61.6 129.3 -67.3 -75.7 -12.0 155 155 A N + 0 0 2 -30,-2.4 -29,-0.2 -2,-0.2 -31,-0.1 0.291 63.7 56.4-113.5 5.6 -64.1 -77.2 -10.6 156 156 A S S S+ 0 0 29 -31,-0.4 2,-0.1 -33,-0.1 -1,-0.1 0.596 104.9 20.6-118.0 -13.6 -61.4 -74.5 -10.8 157 157 A E S > S+ 0 0 26 -32,-0.1 3,-0.6 48,-0.1 44,-0.2 -0.335 70.0 88.1-129.4-146.8 -62.6 -71.4 -8.9 158 158 A D G > S- 0 0 0 42,-2.2 3,-2.4 1,-0.2 4,-0.1 -0.138 106.0 -41.1 72.4-176.5 -65.1 -70.3 -6.2 159 159 A I G > S+ 0 0 72 1,-0.3 3,-1.4 40,-0.2 4,-0.3 0.641 129.6 79.3 -57.1 -12.7 -64.2 -70.4 -2.5 160 160 A Y G < + 0 0 50 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.539 61.9 92.7 -71.8 -9.6 -62.5 -73.8 -3.3 161 161 A A G < S- 0 0 31 -3,-2.4 -1,-0.3 37,-0.2 -2,-0.1 0.782 96.7-131.3 -56.6 -19.7 -59.6 -71.8 -4.6 162 162 A G < + 0 0 23 -3,-1.4 2,-0.7 1,-0.2 -2,-0.1 0.815 54.7 148.1 74.9 31.3 -58.3 -72.3 -1.0 163 163 A I + 0 0 72 35,-0.5 35,-2.6 -4,-0.3 2,-0.3 -0.890 24.0 117.3-101.9 109.5 -57.4 -68.6 -0.5 164 164 A E E -N 197 0D 102 -2,-0.7 2,-0.4 33,-0.2 33,-0.2 -0.973 48.0-138.0-168.2 157.0 -58.0 -67.7 3.2 165 165 A W E -N 196 0D 72 31,-2.3 31,-1.9 -2,-0.3 3,-0.1 -0.984 28.3-108.5-130.0 140.9 -56.2 -66.6 6.3 166 166 A K > - 0 0 163 -2,-0.4 3,-2.2 29,-0.2 6,-0.4 -0.323 43.0 -91.2 -68.5 142.8 -56.5 -67.7 9.9 167 167 A A T 3 S+ 0 0 32 1,-0.3 28,-0.2 26,-0.2 -1,-0.1 -0.260 111.4 9.8 -53.8 134.6 -58.1 -65.6 12.7 168 168 A D T 3 S+ 0 0 81 26,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.431 93.6 134.9 73.2 1.2 -55.5 -63.5 14.4 169 169 A S <> - 0 0 35 -3,-2.2 4,-2.1 1,-0.1 -1,-0.2 -0.439 68.4-117.0 -76.6 158.7 -52.7 -64.2 12.0 170 170 A A H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.903 116.0 52.7 -62.1 -39.1 -50.6 -61.3 10.8 171 171 A D H > S+ 0 0 88 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.920 106.9 49.4 -63.1 -46.7 -51.9 -62.0 7.2 172 172 A A H > S+ 0 0 0 -6,-0.4 4,-3.4 1,-0.2 5,-0.2 0.922 113.2 48.4 -58.5 -44.0 -55.6 -61.9 8.2 173 173 A E H X S+ 0 0 79 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.908 111.2 50.3 -62.2 -41.8 -55.0 -58.7 10.0 174 174 A K H X S+ 0 0 151 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 113.1 45.8 -60.5 -48.7 -53.1 -57.3 7.0 175 175 A V H X S+ 0 0 27 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.948 113.6 48.9 -61.7 -48.2 -55.9 -58.3 4.7 176 176 A I H X S+ 0 0 6 -4,-3.4 4,-2.7 1,-0.2 5,-0.3 0.877 110.4 50.9 -62.5 -35.1 -58.6 -56.9 7.0 177 177 A K H X>S+ 0 0 118 -4,-2.5 4,-4.0 -5,-0.2 5,-0.7 0.942 110.7 49.7 -64.2 -46.4 -56.7 -53.6 7.4 178 178 A F H X>S+ 0 0 113 -4,-2.4 4,-2.2 3,-0.2 5,-1.7 0.959 113.2 46.5 -56.2 -51.0 -56.5 -53.3 3.6 179 179 A L H <5S+ 0 0 44 -4,-2.8 6,-2.9 3,-0.2 4,-0.5 0.944 121.0 36.6 -58.5 -47.6 -60.2 -54.0 3.2 180 180 A R H <5S+ 0 0 129 -4,-2.7 -2,-0.2 4,-0.2 -1,-0.2 0.923 128.7 31.4 -74.0 -44.6 -61.2 -51.6 5.9 181 181 A E H <5S+ 0 0 113 -4,-4.0 -3,-0.2 -5,-0.3 -2,-0.2 0.894 132.1 27.0 -84.4 -41.4 -58.7 -48.8 5.3 182 182 A E T < - 0 0 41 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.710 33.6-123.2-115.5 162.2 -64.4 -65.2 -13.7 203 203 A E H > S+ 0 0 92 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 113.6 45.6 -64.7 -45.1 -65.9 -64.8 -17.1 204 204 A E H > S+ 0 0 158 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.930 114.3 47.8 -66.5 -42.7 -63.5 -67.4 -18.6 205 205 A G H > S+ 0 0 3 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 115.2 45.9 -63.3 -44.1 -64.0 -69.9 -15.8 206 206 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.949 113.4 48.5 -64.3 -47.5 -67.7 -69.5 -16.0 207 207 A K H X S+ 0 0 13 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.871 106.6 52.8 -68.1 -34.3 -68.0 -69.8 -19.8 208 208 A R H X S+ 0 0 38 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.887 114.0 46.3 -67.2 -32.4 -65.8 -72.8 -20.3 209 209 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.966 115.6 42.9 -71.5 -51.8 -68.0 -74.7 -17.8 210 210 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.888 111.0 57.2 -63.1 -37.5 -71.3 -73.5 -19.2 211 211 A R H X S+ 0 0 81 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.947 107.5 47.9 -56.9 -48.9 -70.1 -74.1 -22.8 212 212 A A H X S+ 0 0 21 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.906 110.8 51.7 -59.9 -40.5 -69.4 -77.8 -21.8 213 213 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.926 112.6 44.3 -63.5 -43.9 -72.8 -78.1 -20.2 214 214 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 112.1 51.7 -68.3 -43.0 -74.6 -76.8 -23.3 215 215 A E H X S+ 0 0 96 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.886 110.8 50.8 -59.6 -36.2 -72.5 -78.9 -25.7 216 216 A Y H X S+ 0 0 61 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.894 107.8 50.6 -69.5 -38.0 -73.5 -81.9 -23.5 217 217 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.913 114.7 45.4 -63.9 -40.3 -77.2 -81.0 -23.7 218 218 A I H ><5S+ 0 0 11 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.961 112.8 49.0 -66.8 -52.0 -76.8 -80.8 -27.5 219 219 A A H 3<5S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 122.1 34.1 -61.1 -28.2 -74.8 -84.0 -27.9 220 220 A N T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.272 106.6-121.4-112.9 12.3 -77.2 -86.0 -25.7 221 221 A D T < 5 + 0 0 61 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.1 0.898 48.0 173.1 48.0 53.4 -80.4 -84.2 -26.7 222 222 A R < - 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