==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-FEB-10 3LWA . COMPND 2 MOLECULE: SECRETED THIOL-DISULFIDE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR A.J.STEIN,A.WEGER,R.HENDRICKS,G.COBB,A.JOACHIMIAK,MIDWEST . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 13.2 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 37 A G 0 0 110 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 44.8 -6.1 25.4 47.8 2 38 A G - 0 0 40 24,-0.1 23,-0.2 2,-0.1 25,-0.0 -0.756 360.0-145.7-135.5-177.3 -6.1 21.7 46.9 3 39 A T + 0 0 73 21,-2.6 22,-0.2 -2,-0.2 2,-0.1 0.497 52.3 125.9-128.2 -14.4 -7.7 18.4 47.8 4 40 A F - 0 0 18 20,-2.1 2,-0.4 120,-0.1 -2,-0.1 -0.299 32.6-178.0 -58.5 125.1 -5.0 15.8 47.4 5 41 A Q - 0 0 63 -2,-0.1 2,-0.4 122,-0.1 122,-0.2 -0.993 13.5-148.2-126.2 125.1 -4.5 13.6 50.5 6 42 A F + 0 0 30 120,-3.4 2,-0.3 -2,-0.4 119,-0.0 -0.763 21.7 166.7 -96.6 136.1 -1.7 11.0 50.5 7 43 A H + 0 0 72 -2,-0.4 121,-0.1 121,-0.0 -2,-0.0 -0.967 16.2 165.5-147.5 132.2 -2.0 7.7 52.4 8 44 A S > + 0 0 35 -2,-0.3 3,-1.1 1,-0.1 -2,-0.0 -0.549 10.9 161.2-139.8 75.8 0.1 4.5 52.3 9 45 A P T 3 + 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.531 69.9 63.7 -75.9 -7.9 -0.8 2.4 55.5 10 46 A D T 3 S- 0 0 90 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.245 111.3-111.6-100.4 8.8 0.5 -0.9 54.0 11 47 A G < + 0 0 65 -3,-1.1 2,-0.1 1,-0.2 -3,-0.0 0.608 63.2 156.7 72.9 11.4 4.2 0.2 53.7 12 48 A K - 0 0 48 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.459 37.9-150.9 -71.6 144.5 3.9 0.1 49.9 13 49 A X S S+ 0 0 118 1,-0.1 137,-2.9 -2,-0.1 2,-0.3 0.298 79.0 46.4-102.9 7.1 6.5 2.3 48.1 14 50 A E E -A 149 0A 75 135,-0.2 2,-0.4 136,-0.1 135,-0.2 -0.971 63.2-173.3-148.3 138.4 4.4 3.0 45.1 15 51 A I E -A 148 0A 26 133,-2.2 133,-2.4 -2,-0.3 2,-0.4 -0.997 6.5-159.3-135.0 132.0 0.7 4.0 44.9 16 52 A F E -A 147 0A 104 -2,-0.4 2,-0.5 131,-0.2 131,-0.2 -0.910 6.1-149.4-118.0 143.0 -1.5 4.4 41.8 17 53 A Y - 0 0 34 129,-2.7 5,-0.1 -2,-0.4 -2,-0.0 -0.946 11.8-135.4-118.1 118.2 -4.7 6.4 41.4 18 54 A D > - 0 0 131 -2,-0.5 3,-1.6 1,-0.1 4,-0.3 -0.317 35.0-104.6 -61.9 151.6 -7.5 5.5 39.1 19 55 A E G > S+ 0 0 130 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.861 120.4 52.1 -48.1 -46.4 -8.9 8.4 37.1 20 56 A A G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.751 107.8 52.9 -66.3 -23.7 -12.0 8.7 39.3 21 57 A D G < S+ 0 0 58 -3,-1.6 -1,-0.3 2,-0.0 2,-0.2 0.311 82.4 122.7 -93.4 6.7 -10.0 8.8 42.5 22 58 A R < - 0 0 45 -3,-1.6 2,-0.2 -4,-0.3 124,-0.1 -0.508 42.9-162.6 -80.4 141.2 -7.8 11.7 41.4 23 59 A Q - 0 0 70 122,-0.3 2,-0.3 -2,-0.2 -2,-0.0 -0.721 19.2-103.5-119.1 165.9 -7.6 14.8 43.4 24 60 A Q - 0 0 119 -2,-0.2 -21,-2.6 120,-0.2 -20,-2.1 -0.631 21.9-152.5 -97.1 147.7 -6.4 18.3 42.7 25 61 A L - 0 0 21 118,-0.6 100,-0.1 -2,-0.3 99,-0.0 -0.736 27.4-107.1-103.5 158.8 -3.1 20.1 43.7 26 62 A P - 0 0 35 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.260 56.5 -77.6 -68.7 174.4 -2.7 23.8 44.2 27 63 A D - 0 0 80 15,-0.1 -25,-0.0 -26,-0.1 16,-0.0 -0.503 60.2-149.2 -76.7 78.1 -0.6 25.6 41.5 28 64 A I + 0 0 8 -2,-2.2 14,-2.0 13,-0.1 2,-0.3 -0.158 31.7 150.6 -54.4 132.2 2.7 24.4 42.9 29 65 A G E +G 41 0B 25 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.968 16.7 155.2-155.4 169.0 5.5 26.8 42.3 30 66 A G E -G 40 0B 11 10,-2.0 10,-2.3 -2,-0.3 2,-0.1 -0.973 51.1 -46.5-178.5-176.7 8.8 28.2 43.4 31 67 A D E -G 39 0B 32 84,-0.5 84,-3.4 -2,-0.3 8,-0.2 -0.408 61.2-110.6 -67.9 135.8 12.0 30.0 42.3 32 68 A S B -B 114 0A 14 6,-2.9 82,-0.2 3,-0.5 6,-0.2 -0.459 18.1-142.4 -63.9 135.2 13.7 28.6 39.3 33 69 A L S S+ 0 0 0 80,-2.9 3,-0.3 1,-0.2 -1,-0.1 0.936 99.7 36.5 -63.4 -46.5 17.0 26.8 40.1 34 70 A X S S+ 0 0 84 79,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.719 122.7 42.3 -83.4 -22.4 18.8 28.0 37.0 35 71 A E S > S- 0 0 44 3,-0.2 3,-1.9 0, 0.0 -3,-0.5 -0.733 81.8-149.1-127.2 83.3 17.2 31.5 36.7 36 72 A E T 3 S+ 0 0 144 -2,-0.4 3,-0.1 -3,-0.3 -3,-0.1 -0.256 82.4 27.0 -57.0 129.4 17.0 33.1 40.1 37 73 A G T 3 S+ 0 0 63 1,-0.3 2,-0.5 -5,-0.2 -1,-0.2 0.274 95.6 105.4 102.2 -11.4 14.0 35.5 40.4 38 74 A T < - 0 0 82 -3,-1.9 -6,-2.9 -6,-0.2 -1,-0.3 -0.928 63.8-139.4-102.6 124.3 11.9 33.7 37.8 39 75 A Q E -G 31 0B 104 -2,-0.5 2,-0.4 -8,-0.2 -8,-0.2 -0.442 9.6-159.6 -78.1 146.5 9.0 31.6 39.2 40 76 A I E +G 30 0B 16 -10,-2.3 -10,-2.0 -2,-0.1 2,-0.3 -0.997 17.6 173.6-121.5 133.9 8.0 28.2 37.8 41 77 A N E > -G 29 0B 41 -2,-0.4 3,-1.7 -12,-0.2 -12,-0.2 -0.916 45.9-111.9-131.0 160.9 4.5 26.9 38.5 42 78 A L G > S+ 0 0 3 -14,-2.0 3,-2.7 -2,-0.3 -13,-0.1 0.869 114.9 68.6 -55.1 -36.1 2.5 23.9 37.3 43 79 A S G > S+ 0 0 45 1,-0.3 3,-0.7 -15,-0.2 -1,-0.3 0.597 85.9 69.2 -66.0 -10.0 0.3 26.3 35.4 44 80 A D G < S+ 0 0 92 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.557 101.9 46.8 -74.7 -11.1 3.3 26.9 33.1 45 81 A F G X S+ 0 0 29 -3,-2.7 3,-2.2 -4,-0.2 -1,-0.2 -0.215 80.8 171.9-126.0 40.5 2.7 23.4 31.9 46 82 A E T < S+ 0 0 110 -3,-0.7 96,-0.1 1,-0.3 3,-0.1 -0.235 71.1 9.3 -58.8 137.0 -1.0 23.4 31.3 47 83 A N T 3 S+ 0 0 120 94,-0.8 2,-0.4 1,-0.2 -1,-0.3 0.562 106.1 113.9 68.9 8.7 -2.2 20.2 29.5 48 84 A Q S < S- 0 0 31 -3,-2.2 37,-0.3 93,-0.2 -1,-0.2 -0.877 73.4-114.4-107.2 146.4 1.2 18.6 29.9 49 85 A V E -c 85 0A 0 35,-2.1 37,-2.0 -2,-0.4 2,-0.4 -0.512 35.7-156.0 -66.7 139.8 2.0 15.5 32.0 50 86 A V E -cD 86 139A 0 89,-1.5 89,-3.0 35,-0.2 2,-0.8 -0.989 13.0-159.7-126.2 130.6 4.3 16.6 34.8 51 87 A I E -cD 87 138A 0 35,-2.5 37,-2.7 -2,-0.4 2,-0.4 -0.886 15.4-158.8-106.4 102.2 6.7 14.3 36.6 52 88 A L E -cD 88 137A 3 85,-2.6 85,-2.4 -2,-0.8 2,-0.4 -0.666 11.8-175.2 -79.9 135.6 7.6 16.0 39.9 53 89 A N E -cD 89 136A 1 35,-1.9 37,-2.8 -2,-0.4 2,-0.5 -0.952 17.8-149.7-138.6 116.1 10.8 14.8 41.4 54 90 A A E +cD 90 135A 4 81,-2.7 81,-0.6 -2,-0.4 2,-0.3 -0.751 37.2 155.2 -84.5 126.7 12.2 15.8 44.8 55 91 A W E -c 91 0A 6 35,-2.4 37,-3.0 -2,-0.5 2,-0.3 -0.965 30.3-171.5-148.9 156.0 16.1 15.6 44.7 56 92 A G > - 0 0 0 -2,-0.3 3,-1.6 35,-0.2 6,-0.2 -0.974 32.8-127.5-145.5 149.6 19.4 16.9 46.1 57 93 A Q T 3 S+ 0 0 53 -2,-0.3 6,-0.1 1,-0.3 36,-0.1 0.748 110.1 65.1 -65.3 -20.1 22.9 16.3 44.8 58 94 A W T 3 S+ 0 0 84 4,-0.0 2,-0.6 35,-0.0 -1,-0.3 0.581 84.5 92.9 -73.4 -10.8 23.8 15.1 48.4 59 95 A C <> - 0 0 7 -3,-1.6 4,-1.8 1,-0.1 3,-0.2 -0.790 63.1-157.5 -98.5 112.0 21.4 12.1 47.9 60 96 A A H > S+ 0 0 61 -2,-0.6 4,-1.8 1,-0.2 3,-0.2 0.905 94.7 48.5 -53.7 -52.3 22.9 8.9 46.6 61 97 A P H > S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.850 109.4 54.4 -55.4 -38.4 19.6 7.5 45.2 62 98 A C H > S+ 0 0 7 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.862 106.2 52.2 -62.3 -36.8 19.0 10.8 43.4 63 99 A R H < S+ 0 0 127 -4,-1.8 4,-0.4 -3,-0.2 3,-0.4 0.894 109.5 47.5 -70.7 -35.5 22.3 10.6 41.7 64 100 A S H < S+ 0 0 87 -4,-1.8 4,-0.3 1,-0.2 3,-0.3 0.804 113.1 51.0 -71.5 -24.5 21.6 7.1 40.4 65 101 A E H X S+ 0 0 2 -4,-1.4 4,-2.4 1,-0.2 3,-0.3 0.626 85.1 90.1 -82.3 -20.9 18.2 8.3 39.2 66 102 A S H X S+ 0 0 4 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.870 86.0 47.3 -51.0 -50.5 19.5 11.3 37.3 67 103 A D H > S+ 0 0 108 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.869 112.0 50.5 -62.0 -40.3 20.1 9.6 34.0 68 104 A D H > S+ 0 0 37 -4,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.890 107.8 52.9 -67.3 -38.8 16.6 8.0 34.0 69 105 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.892 107.7 52.1 -62.6 -40.1 14.9 11.3 34.8 70 106 A Q H X S+ 0 0 20 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.908 111.1 47.0 -61.6 -41.8 16.7 12.8 31.7 71 107 A I H X S+ 0 0 61 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.906 111.7 51.0 -63.4 -46.0 15.4 9.9 29.5 72 108 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.947 111.4 47.8 -56.3 -50.6 11.9 10.4 31.0 73 109 A H H X S+ 0 0 15 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.928 112.1 48.9 -56.1 -48.3 12.0 14.1 30.2 74 110 A E H X S+ 0 0 103 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.921 112.9 47.4 -61.9 -42.1 13.3 13.5 26.7 75 111 A E H X S+ 0 0 94 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.895 114.0 46.7 -67.1 -40.9 10.6 10.9 25.9 76 112 A L H < S+ 0 0 0 -4,-2.6 8,-1.4 -5,-0.2 9,-0.8 0.876 109.0 54.7 -69.5 -37.1 7.8 13.1 27.3 77 113 A Q H < S+ 0 0 76 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.888 113.4 43.2 -60.0 -37.9 9.0 16.2 25.5 78 114 A A H < S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.642 99.9 93.9 -83.1 -15.2 8.8 14.1 22.2 79 115 A A < 0 0 17 -4,-1.0 5,-0.6 -3,-0.3 6,-0.1 -0.230 360.0 360.0 -75.7 165.0 5.4 12.5 23.1 80 116 A G 0 0 93 3,-0.1 4,-0.1 4,-0.1 87,-0.1 -0.361 360.0 360.0 93.1 360.0 2.0 13.8 22.0 81 ! 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 82 120 A T 0 0 174 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.5 4.0 20.9 21.6 83 121 A P - 0 0 47 0, 0.0 -6,-0.2 0, 0.0 -5,-0.2 -0.385 360.0-144.3 -67.6 140.2 5.7 18.8 24.4 84 122 A G S S- 0 0 8 -8,-1.4 -35,-2.1 -5,-0.6 2,-0.3 0.789 72.9 -31.1 -72.9 -30.1 3.6 15.9 25.8 85 123 A G E -c 49 0A 0 -9,-0.8 2,-0.3 -37,-0.3 -35,-0.2 -0.961 56.9-137.6-175.3 177.2 5.0 16.4 29.3 86 124 A T E -c 50 0A 2 -37,-2.0 -35,-2.5 -2,-0.3 2,-0.4 -0.972 19.1-119.9-145.3 155.0 8.0 17.5 31.3 87 125 A V E -c 51 0A 0 -2,-0.3 2,-0.4 -37,-0.2 -35,-0.2 -0.817 28.5-167.0 -88.1 143.7 10.0 16.5 34.4 88 126 A L E -c 52 0A 1 -37,-2.7 -35,-1.9 -2,-0.4 25,-0.2 -0.936 9.4-150.8-132.1 110.8 10.0 19.3 37.0 89 127 A G E -ce 53 113A 0 23,-2.8 25,-2.7 -2,-0.4 2,-0.5 -0.433 9.1-153.2 -77.7 151.3 12.5 18.9 39.8 90 128 A I E -ce 54 114A 3 -37,-2.8 -35,-2.4 23,-0.2 2,-0.6 -0.945 18.2-151.0-119.4 105.6 12.1 20.1 43.3 91 129 A N E -ce 55 115A 0 23,-3.3 25,-2.5 -2,-0.5 2,-0.3 -0.706 22.7-176.3 -84.0 116.5 15.7 20.7 44.5 92 130 A V + 0 0 0 -37,-3.0 3,-0.1 -2,-0.6 -35,-0.1 -0.870 51.6 4.6-123.7 149.9 15.7 20.2 48.3 93 131 A R S S+ 0 0 110 24,-2.1 2,-0.8 23,-0.4 -1,-0.1 0.684 83.6 126.8 54.6 20.7 18.3 20.5 51.2 94 132 A D - 0 0 5 -39,-0.2 -1,-0.2 1,-0.1 6,-0.1 -0.862 37.1-177.9-103.4 92.2 20.9 21.8 48.7 95 133 A Y + 0 0 166 -2,-0.8 2,-0.6 1,-0.1 -1,-0.1 0.588 64.9 66.9 -81.3 -8.9 21.7 25.0 50.7 96 134 A S > - 0 0 50 1,-0.1 4,-1.6 -3,-0.1 3,-0.2 -0.951 65.1-163.9-107.6 114.0 24.2 26.3 48.0 97 135 A R H > S+ 0 0 37 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.886 89.9 58.5 -59.2 -40.0 22.4 27.2 44.8 98 136 A D H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 103.8 51.2 -61.5 -39.4 25.7 27.1 43.0 99 137 A I H > S+ 0 0 85 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 111.5 47.1 -64.2 -40.8 26.4 23.5 43.9 100 138 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.927 111.4 51.0 -67.7 -43.5 22.9 22.4 42.7 101 139 A Q H X S+ 0 0 51 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.890 109.7 50.0 -59.9 -43.0 23.3 24.3 39.4 102 140 A D H X S+ 0 0 90 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.864 107.5 54.4 -66.5 -36.6 26.7 22.7 38.8 103 141 A F H X S+ 0 0 25 -4,-1.9 4,-1.7 2,-0.2 6,-0.2 0.943 110.3 46.7 -57.7 -46.4 25.2 19.3 39.4 104 142 A V H <>S+ 0 0 11 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.950 117.2 42.8 -61.9 -49.4 22.6 20.0 36.8 105 143 A T H ><5S+ 0 0 100 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.891 112.3 52.4 -65.3 -44.4 25.2 21.3 34.3 106 144 A D H 3<5S+ 0 0 132 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 114.5 43.3 -62.7 -31.2 27.8 18.6 34.9 107 145 A N T 3<5S- 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.393 109.0-121.1 -99.7 3.4 25.3 15.8 34.4 108 146 A G T < 5 + 0 0 42 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.787 47.0 171.5 65.2 30.9 23.6 17.4 31.3 109 147 A L < - 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