==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JAN-02 1GTK . COMPND 2 MOLECULE: PORPHOBILINOGEN DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.HELLIWELL,Y.P.NIEH,J.HABASH,P.F.FAULDER,J.RAFTERY,M.WULF . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 2 1 0 2 1 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 0 0 2 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 . 0 1 0 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 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 3 A D 0 0 147 0, 0.0 2,-0.4 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 89.2 7.7 18.8 -1.9 2 4 A N + 0 0 91 30,-0.1 31,-2.4 29,-0.1 2,-0.4 0.054 360.0 98.8 -39.8 6.8 11.4 19.0 -1.0 3 5 A V E -a 33 0A 29 -2,-0.4 2,-0.4 29,-0.2 31,-0.2 -0.929 43.6-177.2-108.7 138.6 11.2 19.4 2.8 4 6 A L E -a 34 0A 0 29,-2.4 31,-2.5 -2,-0.4 2,-0.5 -0.991 12.2-156.9-128.7 118.0 11.7 16.5 5.3 5 7 A R E -a 35 0A 67 -2,-0.4 53,-3.0 29,-0.2 54,-2.0 -0.869 4.4-153.3-102.4 120.9 11.2 17.4 9.0 6 8 A I E -ab 36 59A 0 29,-3.0 31,-2.9 -2,-0.5 2,-0.4 -0.864 0.6-154.4 -99.6 118.4 12.8 15.1 11.6 7 9 A A E +ab 37 60A 0 52,-3.3 54,-1.9 -2,-0.6 2,-0.3 -0.725 28.7 160.6 -87.1 132.9 11.4 14.8 15.1 8 10 A T E -a 38 0A 2 29,-1.2 31,-2.3 -2,-0.4 54,-0.1 -0.974 42.9-102.3-145.7 155.9 14.0 13.8 17.7 9 11 A R - 0 0 76 52,-0.4 31,-0.1 -2,-0.3 9,-0.1 -0.290 39.0-120.8 -67.8 174.0 14.6 13.8 21.5 10 12 A Q + 0 0 117 29,-0.4 -1,-0.1 28,-0.1 30,-0.1 0.275 69.1 113.2-111.2 11.1 17.0 16.6 22.6 11 13 A S S > S- 0 0 10 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.369 79.9-106.8 -76.0 160.1 20.0 14.7 24.2 12 14 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.920 122.8 46.0 -49.8 -46.1 23.5 14.7 22.8 13 15 A L H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.908 112.1 50.4 -67.9 -40.2 23.0 11.1 21.7 14 16 A A H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 112.3 46.8 -65.8 -40.5 19.5 11.7 20.2 15 17 A L H X S+ 0 0 50 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.863 106.7 57.4 -70.8 -33.4 20.8 14.7 18.2 16 18 A W H X S+ 0 0 94 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.925 108.6 48.7 -58.2 -42.3 23.8 12.7 17.0 17 19 A Q H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.896 107.7 52.7 -67.1 -37.1 21.2 10.2 15.6 18 20 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.920 111.3 47.9 -65.8 -40.2 19.1 12.9 14.0 19 21 A H H X S+ 0 0 87 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.861 107.9 55.3 -65.8 -38.9 22.4 14.1 12.2 20 22 A Y H X S+ 0 0 42 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.941 112.9 42.1 -56.4 -48.1 23.2 10.6 11.2 21 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 113.7 51.5 -69.1 -43.7 19.9 10.2 9.5 22 24 A K H X S+ 0 0 65 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.923 109.5 50.6 -58.3 -43.3 20.0 13.7 8.0 23 25 A D H X S+ 0 0 104 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.893 110.7 48.6 -63.2 -40.6 23.5 13.0 6.5 24 26 A K H X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.898 111.5 50.7 -65.1 -41.8 22.3 9.8 4.9 25 27 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.941 111.2 47.1 -58.1 -51.9 19.3 11.5 3.4 26 28 A M H < S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.9 54.1 -62.3 -34.4 21.5 14.4 2.0 27 29 A A H < S+ 0 0 83 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.907 116.9 36.5 -68.0 -42.1 23.9 11.9 0.5 28 30 A S H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.670 131.1 29.4 -78.1 -22.5 21.1 10.0 -1.3 29 31 A H >< + 0 0 50 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.2 -0.684 62.8 179.6-145.1 80.0 19.0 13.1 -2.2 30 32 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.645 80.7 60.4 -60.0 -19.7 21.2 16.2 -2.6 31 33 A G T 3 S+ 0 0 63 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.529 82.3 109.0 -83.1 -9.6 18.1 18.3 -3.4 32 34 A L < - 0 0 15 -3,-1.8 2,-0.6 -7,-0.2 -29,-0.2 -0.353 59.7-145.3 -75.5 147.9 16.4 17.7 -0.1 33 35 A V E -a 3 0A 62 -31,-2.4 -29,-2.4 -2,-0.1 2,-0.5 -0.959 20.1-162.3-107.6 114.0 15.9 20.4 2.6 34 36 A V E -a 4 0A 16 -2,-0.6 2,-0.3 -31,-0.2 -29,-0.2 -0.875 7.6-173.1-102.7 127.2 16.2 18.6 5.9 35 37 A E E -a 5 0A 90 -31,-2.5 -29,-3.0 -2,-0.5 2,-0.4 -0.911 15.8-136.7-118.7 146.0 14.8 20.3 9.0 36 38 A L E -a 6 0A 59 -2,-0.3 -29,-0.2 -31,-0.2 -31,-0.1 -0.863 14.3-175.1-102.2 140.7 15.0 19.3 12.7 37 39 A V E -a 7 0A 34 -31,-2.9 -29,-1.2 -2,-0.4 2,-0.1 -0.803 18.3-171.0-128.8 81.4 12.1 19.5 15.1 38 40 A P E +a 8 0A 57 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.479 19.6 135.9 -80.3 148.6 13.6 18.5 18.5 39 41 A M 0 0 21 -31,-2.3 -29,-0.4 -2,-0.1 9,-0.1 -0.952 360.0 360.0-165.3-169.6 11.3 17.9 21.5 40 42 A V 0 0 92 -2,-0.3 4,-0.0 -31,-0.1 -31,-0.0 -0.870 360.0 360.0 110.3 360.0 10.1 16.0 24.6 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 60 A G > 0 0 74 0, 0.0 2,-1.2 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 38.1 5.4 4.9 25.8 43 61 A L T 3 + 0 0 101 1,-0.2 4,-0.2 2,-0.1 23,-0.0 -0.605 360.0 4.6 77.0 -94.1 7.7 7.2 27.8 44 62 A F T >> S+ 0 0 29 -2,-1.2 3,-0.8 22,-0.1 4,-0.6 0.884 121.3 61.6 -94.1 -44.2 9.7 9.2 25.2 45 63 A V H <> S+ 0 0 5 -3,-0.8 4,-2.3 21,-0.3 5,-0.2 0.679 84.6 81.6 -61.5 -19.0 8.3 8.3 21.8 46 64 A K H 3> S+ 0 0 90 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.909 90.7 47.0 -59.3 -48.5 4.8 9.6 22.5 47 65 A E H <> S+ 0 0 83 -3,-0.8 4,-1.8 -4,-0.2 -1,-0.3 0.851 112.1 52.9 -58.5 -34.1 5.5 13.2 21.9 48 66 A L H X S+ 0 0 2 -4,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.904 109.1 47.8 -68.5 -41.2 7.2 12.3 18.7 49 67 A E H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.861 107.1 57.4 -66.9 -37.0 4.3 10.3 17.5 50 68 A V H X S+ 0 0 57 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.913 106.2 50.8 -54.0 -46.5 2.0 13.2 18.4 51 69 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 6,-1.2 0.863 109.5 49.5 -62.3 -40.2 4.0 15.3 16.0 52 70 A L H ><5S+ 0 0 0 -4,-1.6 3,-1.5 4,-0.2 -2,-0.2 0.935 109.5 51.4 -63.5 -42.8 3.7 12.8 13.2 53 71 A L H 3<5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.772 113.8 43.3 -67.8 -26.9 -0.1 12.5 13.6 54 72 A E T 3<5S- 0 0 109 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.166 114.9-112.2-109.1 21.4 -0.6 16.2 13.4 55 73 A N T < 5S+ 0 0 96 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.793 81.4 122.5 63.9 31.5 1.8 16.9 10.6 56 74 A R S - C 0 183A 27 -2,-0.3 3,-2.1 120,-0.2 4,-0.5 -0.698 45.3-122.3 -71.0 131.9 17.2 4.0 18.9 64 82 A M G > S+ 0 0 1 118,-2.7 3,-1.7 115,-0.4 116,-0.2 0.864 108.5 60.0 -47.6 -37.4 15.5 0.6 18.0 65 83 A K G 3 S+ 0 0 57 114,-0.3 -1,-0.3 117,-0.3 113,-0.1 0.697 103.5 51.6 -72.1 -11.8 15.3 -0.6 21.6 66 84 A D G < S+ 0 0 64 -3,-2.1 -21,-0.3 113,-0.1 -1,-0.3 0.430 81.9 109.8 -97.8 -7.4 13.2 2.4 22.5 67 85 A V S < S- 0 0 8 -3,-1.7 10,-0.0 -4,-0.5 -3,-0.0 -0.597 74.2-119.1 -68.8 126.2 10.7 1.9 19.7 68 86 A P - 0 0 31 0, 0.0 155,-0.1 0, 0.0 -2,-0.1 -0.242 10.7-122.9 -62.5 159.5 7.3 0.7 21.3 69 87 A V S S+ 0 0 24 153,-0.3 2,-0.3 148,-0.1 154,-0.1 0.543 95.4 43.4 -77.0 -15.3 5.8 -2.7 20.5 70 88 A E - 0 0 137 6,-0.0 6,-0.0 0, 0.0 148,-0.0 -0.950 68.5-158.7-136.4 157.2 2.6 -1.0 19.4 71 89 A F - 0 0 65 -2,-0.3 3,-0.1 4,-0.1 2,-0.0 -0.958 25.8-105.1-133.4 148.7 1.7 2.0 17.3 72 90 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 0, 0.0 -0.337 61.2 -74.6 -69.3 147.6 -1.2 4.3 16.8 73 91 A Q T 3 S+ 0 0 189 1,-0.2 3,-0.1 -2,-0.0 0, 0.0 -0.242 119.8 21.9 -41.1 122.4 -3.3 3.9 13.7 74 92 A G T 3 S+ 0 0 34 1,-0.3 115,-2.7 -3,-0.1 116,-0.4 0.245 104.5 91.8 99.6 -12.3 -1.4 5.2 10.6 75 93 A L E < +D 188 0A 7 -3,-2.1 -1,-0.3 113,-0.3 2,-0.3 -0.824 44.4 152.9-112.6 155.1 2.1 5.2 12.0 76 94 A G E -D 187 0A 7 111,-1.7 111,-1.9 -2,-0.3 2,-0.5 -0.985 49.1 -88.2-168.4 168.7 4.8 2.5 11.8 77 95 A L E +D 186 0A 48 -2,-0.3 109,-0.3 109,-0.2 3,-0.1 -0.740 45.8 165.4 -84.8 118.4 8.5 1.6 11.7 78 96 A V E + 0 0 31 107,-3.0 2,-0.4 -2,-0.5 108,-0.2 0.638 54.2 40.3-115.5 -19.2 9.6 1.8 8.1 79 97 A T E -D 185 0A 4 106,-1.6 106,-2.5 123,-0.1 2,-0.5 -0.999 50.6-169.3-137.2 135.7 13.3 1.9 8.1 80 98 A I E -D 184 0A 11 -2,-0.4 123,-2.7 104,-0.2 127,-0.3 -0.991 24.7-145.9-124.1 116.7 16.0 0.0 10.1 81 99 A C - 0 0 0 102,-2.6 121,-0.1 -2,-0.5 102,-0.1 -0.315 38.0 -64.0 -81.0 167.2 19.5 1.5 9.6 82 100 A E - 0 0 108 119,-0.4 101,-0.2 1,-0.1 -1,-0.2 -0.171 61.2-112.9 -57.6 126.3 22.8 -0.4 9.5 83 101 A R - 0 0 25 99,-0.1 99,-0.2 -3,-0.1 2,-0.1 -0.363 26.9-161.5 -68.6 132.0 23.6 -2.0 12.9 84 102 A E - 0 0 50 97,-2.5 70,-0.1 1,-0.2 -1,-0.0 -0.289 58.5 -41.5 -86.6-172.2 26.5 -0.7 15.0 85 103 A D - 0 0 27 1,-0.2 69,-0.6 -2,-0.1 -1,-0.2 -0.329 54.5-159.9 -57.5 129.0 28.0 -2.8 17.8 86 104 A P + 0 0 16 0, 0.0 91,-0.2 0, 0.0 -1,-0.2 0.507 49.7 112.2 -91.3 -2.2 25.0 -4.4 19.6 87 105 A R - 0 0 86 1,-0.1 66,-2.4 89,-0.1 67,-0.5 -0.252 65.2-120.1 -79.3 155.3 26.8 -5.3 22.9 88 106 A D E -E 152 0B 0 81,-0.4 81,-2.9 86,-0.4 2,-0.4 -0.489 32.2-139.8 -75.5 156.8 26.6 -4.0 26.4 89 107 A A E -EF 151 168B 0 62,-3.0 62,-1.8 79,-0.2 2,-0.5 -0.982 7.9-134.8-127.9 142.4 29.7 -2.5 27.9 90 108 A F E -EF 150 167B 0 77,-3.1 76,-2.0 -2,-0.4 77,-1.4 -0.812 28.7-170.0 -90.7 127.2 31.4 -2.6 31.3 91 109 A V E +E 149 0B 1 58,-2.3 58,-2.1 -2,-0.5 2,-0.3 -0.976 18.3 144.8-124.6 122.3 32.4 0.9 32.3 92 110 A S - 0 0 5 -2,-0.4 56,-0.1 72,-0.3 55,-0.1 -0.944 39.5-158.4-161.8 140.9 34.6 1.6 35.3 93 111 A N S S+ 0 0 69 -2,-0.3 -1,-0.1 54,-0.3 55,-0.1 0.856 99.3 32.7 -82.6 -39.3 37.3 4.0 36.5 94 112 A N S S+ 0 0 132 53,-0.4 2,-0.4 1,-0.0 -1,-0.1 0.513 114.8 52.5-100.6 -10.9 38.8 1.7 39.2 95 113 A Y - 0 0 68 52,-0.3 -3,-0.1 1,-0.1 3,-0.1 -0.971 58.3-150.8-131.6 148.6 38.3 -1.8 37.9 96 114 A D S S+ 0 0 112 -2,-0.4 2,-0.3 1,-0.2 -6,-0.1 0.590 77.2 0.3 -95.3 -9.5 39.2 -3.6 34.6 97 115 A S S > S- 0 0 37 1,-0.1 3,-0.6 -6,-0.0 4,-0.4 -0.987 70.7-102.4-164.9 163.2 36.3 -6.2 34.4 98 116 A L G > S+ 0 0 9 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.911 120.1 62.2 -56.4 -38.1 33.2 -7.5 36.2 99 117 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.828 98.5 55.7 -58.4 -37.6 35.5 -10.4 37.3 100 118 A A G < S+ 0 0 52 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.556 81.5 108.0 -72.6 -11.1 37.7 -7.9 39.2 101 119 A L < - 0 0 4 -3,-1.8 3,-0.1 -4,-0.4 2,-0.1 -0.568 66.8-132.2 -74.9 130.1 34.8 -6.5 41.3 102 120 A P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.353 39.1 -78.6 -70.9 160.0 34.9 -7.5 45.0 103 121 A A T 3 S+ 0 0 76 1,-0.3 22,-0.2 22,-0.1 3,-0.1 -0.256 120.4 29.3 -56.8 145.4 31.7 -8.7 46.7 104 122 A G T 3 S+ 0 0 35 20,-2.6 -1,-0.3 1,-0.3 21,-0.2 0.396 83.5 146.7 78.7 -0.4 29.4 -5.8 47.6 105 123 A S < - 0 0 7 -3,-1.9 21,-2.7 1,-0.1 2,-0.6 -0.306 49.0-121.0 -60.8 150.0 30.6 -3.6 44.7 106 124 A I E -g 126 0B 23 19,-0.2 41,-2.4 -3,-0.1 42,-1.7 -0.871 27.7-172.7-104.8 122.0 27.9 -1.3 43.3 107 125 A V E -gh 127 148B 0 19,-2.6 21,-2.3 -2,-0.6 2,-0.5 -0.960 15.4-138.2-115.4 126.5 26.9 -1.6 39.7 108 126 A G E +gh 128 149B 0 40,-2.5 42,-1.8 -2,-0.5 2,-0.2 -0.761 42.2 115.4 -94.6 128.7 24.5 0.8 38.1 109 127 A T - 0 0 1 19,-2.3 22,-0.1 -2,-0.5 -2,-0.1 -0.811 41.1-155.5-175.6 141.5 21.7 0.2 35.6 110 128 A S + 0 0 31 20,-0.6 2,-0.6 -2,-0.2 19,-0.1 0.239 65.2 112.7-100.6 7.5 18.0 0.5 35.6 111 129 A S > - 0 0 22 1,-0.2 4,-2.7 19,-0.0 5,-0.1 -0.734 52.9-161.8 -80.5 118.2 17.7 -2.2 32.9 112 130 A L H > S+ 0 0 41 -2,-0.6 4,-2.4 112,-0.5 5,-0.2 0.803 94.1 58.7 -70.0 -24.0 16.0 -5.3 34.3 113 131 A R H > S+ 0 0 8 113,-0.3 4,-1.1 111,-0.3 -1,-0.2 0.953 111.0 39.6 -67.5 -46.3 17.4 -7.1 31.3 114 132 A R H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.949 116.6 52.7 -66.9 -42.3 21.0 -6.2 32.3 115 133 A Q H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.888 104.2 51.8 -62.6 -49.3 20.2 -6.7 36.0 116 134 A C H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.872 112.4 47.0 -60.9 -32.2 18.8 -10.3 35.9 117 135 A Q H X S+ 0 0 4 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.2 0.879 112.3 47.3 -80.6 -35.7 21.8 -11.5 34.0 118 136 A L H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.901 114.4 49.6 -64.4 -44.1 24.5 -9.9 36.2 119 137 A A H < S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 103.5 60.0 -70.9 -31.7 22.6 -11.2 39.2 120 138 A E H < S+ 0 0 71 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.927 118.5 28.1 -56.3 -49.6 22.4 -14.7 37.8 121 139 A R H < S+ 0 0 79 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.805 133.9 29.3 -84.7 -30.6 26.2 -15.0 37.6 122 140 A R >< + 0 0 43 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 -0.590 57.0 164.5-136.3 69.8 27.2 -12.7 40.4 123 141 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.650 73.3 71.8 -63.8 -12.9 24.6 -12.5 43.2 124 142 A D T 3 S+ 0 0 60 -3,-0.1 -20,-2.6 2,-0.1 2,-0.2 0.547 81.5 89.4 -77.2 -17.4 27.3 -10.9 45.5 125 143 A L S < S- 0 0 13 -3,-1.9 2,-0.7 -22,-0.2 -19,-0.2 -0.581 78.3-128.2 -81.9 147.4 27.2 -7.6 43.5 126 144 A I E -g 106 0B 78 -21,-2.7 -19,-2.6 -2,-0.2 2,-0.6 -0.883 19.1-154.6 -98.8 116.8 24.8 -4.9 44.5 127 145 A I E -g 107 0B 34 -2,-0.7 2,-0.4 -21,-0.2 -19,-0.2 -0.861 16.6-174.4 -96.1 118.8 22.7 -3.7 41.5 128 146 A R E -g 108 0B 123 -21,-2.3 -19,-2.3 -2,-0.6 -2,-0.0 -0.890 28.3-101.8-118.5 139.1 21.5 -0.1 41.9 129 147 A S - 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