==== 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 OXIDOREDUCTASE 11-JAN-13 3ZIV . COMPND 2 MOLECULE: AECA THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR J.A.GAVIRA,A.INGLES-PRIETO,B.IBARRA-MOLERO,J.M.SANCHEZ-RUIZ . 313 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 1 0.3 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 . 35 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 3 1 1 2 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 0 2 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 . 0 0 0 0 3 3 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 . 0 0 0 3 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 1 A S 0 0 128 0, 0.0 2,-1.0 0, 0.0 52,-0.4 0.000 360.0 360.0 360.0 104.5 -1.4 3.7 30.8 2 2 A V - 0 0 20 50,-0.1 52,-0.3 52,-0.1 39,-0.1 -0.554 360.0-140.7 -67.9 99.5 1.0 0.8 31.6 3 3 A I E -a 54 0A 66 50,-2.2 52,-2.7 -2,-1.0 2,-0.9 -0.308 12.3-120.0 -65.1 142.5 3.9 2.6 33.2 4 4 A E E -a 55 0A 72 50,-0.2 2,-0.5 52,-0.0 52,-0.1 -0.757 31.8-150.8 -84.5 105.3 7.5 1.4 32.4 5 5 A I + 0 0 6 50,-2.4 52,-0.4 -2,-0.9 2,-0.2 -0.688 24.6 163.1 -86.5 122.1 8.9 0.4 35.7 6 6 A N > - 0 0 68 -2,-0.5 4,-0.8 50,-0.1 55,-0.1 -0.726 54.9 -91.0-123.0 178.3 12.7 0.6 36.2 7 7 A D T 4 S+ 0 0 89 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.738 122.4 52.3 -64.2 -21.5 15.0 0.7 39.2 8 8 A E T 4 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.960 117.7 31.5 -79.0 -54.6 14.8 4.5 39.4 9 9 A N T > S+ 0 0 35 1,-0.2 4,-1.7 -5,-0.1 5,-0.2 0.342 93.8 100.3 -86.3 8.4 11.1 5.0 39.4 10 10 A F H >X S+ 0 0 10 -4,-0.8 4,-2.7 2,-0.2 3,-0.8 0.970 86.5 37.2 -60.9 -62.7 10.3 1.8 41.3 11 11 A D H 3> S+ 0 0 97 -4,-0.3 4,-1.7 -3,-0.3 5,-0.4 0.871 112.6 61.9 -54.8 -39.5 9.8 3.2 44.8 12 12 A E H 34 S+ 0 0 70 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.4 29.5 -58.7 -34.5 8.1 6.2 43.3 13 13 A V H << S+ 0 0 29 -4,-1.7 -2,-0.2 -3,-0.8 -1,-0.2 0.729 130.5 33.8 -96.8 -25.3 5.3 4.0 41.8 14 14 A I H < S+ 0 0 2 -4,-2.7 68,-0.9 -5,-0.2 -3,-0.2 0.828 122.0 36.4-104.1 -35.0 5.1 1.1 44.3 15 15 A K S < S+ 0 0 88 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.335 116.1 53.5-100.8 6.2 5.9 2.5 47.7 16 16 A K S S+ 0 0 80 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.2 0.348 91.5 83.9-122.8 4.4 4.1 5.8 47.3 17 17 A S - 0 0 20 -3,-0.2 64,-0.3 2,-0.1 65,-0.1 -0.767 53.1-161.3-103.9 153.3 0.7 4.7 46.1 18 18 A D S S+ 0 0 126 -2,-0.3 2,-0.2 63,-0.1 -1,-0.1 0.461 73.3 87.8 -98.5 -9.2 -2.4 3.7 48.1 19 19 A K S S- 0 0 95 1,-0.1 62,-0.2 61,-0.1 32,-0.1 -0.606 93.4 -90.5 -94.2 152.0 -3.9 2.0 45.0 20 20 A V - 0 0 10 30,-0.4 32,-1.8 -2,-0.2 2,-0.6 -0.371 37.9-150.8 -65.0 129.8 -3.2 -1.6 43.9 21 21 A V E -bC 52 79A 3 58,-2.4 58,-3.1 30,-0.2 2,-0.5 -0.906 3.9-159.2-103.9 113.2 -0.3 -1.9 41.6 22 22 A V E -bC 53 78A 4 30,-2.8 32,-2.5 -2,-0.6 2,-0.5 -0.829 13.1-163.0 -86.1 129.0 -0.4 -4.7 39.1 23 23 A V E -bC 54 77A 0 54,-2.5 54,-2.1 -2,-0.5 2,-0.5 -0.957 5.4-156.5-122.8 120.8 3.1 -5.5 37.8 24 24 A D E -bC 55 76A 0 30,-3.1 32,-3.3 -2,-0.5 2,-0.7 -0.801 3.6-155.2-100.8 126.4 3.8 -7.5 34.7 25 25 A F E +bC 56 75A 2 50,-2.1 50,-0.7 -2,-0.5 2,-0.2 -0.880 33.3 147.0-106.1 112.7 7.1 -9.3 34.3 26 26 A W E -b 57 0A 55 30,-2.0 32,-2.6 -2,-0.7 33,-0.4 -0.616 31.8-157.4-130.4-173.8 8.0 -9.8 30.7 27 27 A A > - 0 0 1 3,-0.2 3,-1.6 30,-0.2 6,-0.1 -0.905 34.4-113.1-165.8 152.3 10.8 -10.1 28.1 28 28 A E T 3 S+ 0 0 46 -2,-0.3 6,-0.0 1,-0.3 266,-0.0 0.701 113.3 54.8 -62.0 -22.9 10.9 -9.6 24.3 29 29 A W T 3 S+ 0 0 122 249,-0.1 2,-0.7 251,-0.0 -1,-0.3 0.468 84.3 101.1 -93.8 -4.5 11.7 -13.3 23.6 30 30 A a <> - 0 0 5 -3,-1.6 4,-0.6 1,-0.2 -3,-0.2 -0.758 48.1-173.3 -88.8 113.7 8.7 -14.6 25.6 31 31 A G H >> S+ 0 0 11 -2,-0.7 3,-1.4 2,-0.2 4,-0.6 0.933 85.0 55.0 -66.2 -50.8 5.8 -15.7 23.4 32 32 A P H >> S+ 0 0 60 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.842 100.9 62.9 -53.4 -32.0 3.3 -16.4 26.3 33 33 A a H 3> S+ 0 0 4 1,-0.3 4,-2.5 2,-0.2 3,-0.2 0.839 91.1 65.4 -59.9 -34.3 4.0 -12.8 27.4 34 34 A R H << S+ 0 0 10 -3,-1.4 -1,-0.3 -4,-0.6 -3,-0.1 0.704 96.2 57.6 -66.0 -19.0 2.5 -11.6 24.1 35 35 A M H X S+ 0 0 2 -4,-1.0 4,-2.4 -3,-0.2 3,-1.5 0.914 98.3 76.1 -67.4 -46.7 -0.9 -10.9 28.4 37 37 A A H 3X S+ 0 0 19 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.786 99.2 41.1 -37.5 -53.1 0.5 -7.6 26.9 38 38 A P H 3> S+ 0 0 34 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.786 115.3 52.4 -72.0 -23.9 -2.7 -6.5 25.2 39 39 A I H X S+ 0 0 92 -4,-0.9 4,-1.5 -3,-0.3 3,-1.5 0.921 110.1 49.8 -76.8 -45.2 -7.0 -3.1 28.1 43 43 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.810 101.4 62.7 -61.4 -33.8 -7.6 -3.4 31.9 44 44 A A H 3< S+ 0 0 15 -4,-2.0 5,-0.4 -5,-0.2 -1,-0.3 0.649 108.9 44.5 -64.6 -12.3 -5.5 -0.2 32.4 45 45 A E H <4 S+ 0 0 73 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.708 109.5 52.4-100.7 -31.6 -8.4 1.4 30.3 46 46 A E H < S+ 0 0 101 -4,-1.5 2,-1.2 1,-0.2 -2,-0.2 0.963 104.9 60.5 -65.9 -51.0 -11.3 -0.3 32.1 47 47 A Y S < S- 0 0 41 -4,-2.3 2,-2.4 -5,-0.1 4,-0.4 -0.662 85.8-146.2 -81.3 96.4 -10.0 0.9 35.5 48 48 A A S S- 0 0 96 -2,-1.2 -3,-0.1 1,-0.3 -1,-0.1 -0.375 74.2 -49.4 -67.1 77.8 -9.9 4.7 35.2 49 49 A G S S+ 0 0 55 -2,-2.4 -1,-0.3 -5,-0.4 3,-0.1 0.646 114.0 118.2 66.6 15.6 -6.9 5.3 37.3 50 50 A K S S+ 0 0 82 1,-0.3 -30,-0.4 -6,-0.1 2,-0.4 0.800 80.6 24.1 -83.1 -31.3 -8.4 3.0 39.9 51 51 A V S S- 0 0 16 -4,-0.4 2,-0.3 -8,-0.1 -2,-0.3 -0.996 82.5-130.2-131.9 137.9 -5.6 0.5 39.7 52 52 A V E - b 0 21A 38 -32,-1.8 -30,-2.8 -2,-0.4 2,-0.4 -0.694 19.7-158.0 -85.6 138.1 -2.1 1.3 38.5 53 53 A F E + b 0 22A 5 -52,-0.4 -50,-2.2 -2,-0.3 2,-0.3 -0.974 15.6 174.4-120.0 134.8 -0.6 -1.0 35.9 54 54 A G E -ab 3 23A 1 -32,-2.5 -30,-3.1 -2,-0.4 2,-0.4 -0.966 19.9-142.0-142.1 153.5 3.2 -1.4 35.3 55 55 A K E -ab 4 24A 36 -52,-2.7 -50,-2.4 -2,-0.3 2,-0.5 -0.943 6.7-167.3-121.2 134.4 5.7 -3.4 33.3 56 56 A V E - b 0 25A 0 -32,-3.3 -30,-2.0 -2,-0.4 2,-0.8 -0.977 15.0-146.5-118.3 121.3 9.1 -4.7 34.3 57 57 A N E > - b 0 26A 12 -2,-0.5 4,-2.2 -52,-0.4 -30,-0.2 -0.725 8.8-156.2 -82.5 109.7 11.5 -6.0 31.6 58 58 A V T 4 S+ 0 0 22 -32,-2.6 -1,-0.2 -2,-0.8 -31,-0.1 0.740 90.6 54.4 -65.1 -21.9 13.3 -8.9 33.3 59 59 A D T 4 S+ 0 0 84 -33,-0.4 -1,-0.2 2,-0.2 -32,-0.1 0.979 113.0 39.9 -69.7 -56.6 16.2 -8.6 30.9 60 60 A E T 4 S+ 0 0 148 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.760 131.3 30.7 -63.6 -26.8 16.8 -4.8 31.5 61 61 A N >X + 0 0 24 -4,-2.2 4,-1.3 1,-0.1 3,-0.5 -0.478 67.7 153.9-132.5 62.8 16.1 -5.4 35.2 62 62 A P H 3> S+ 0 0 87 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.749 72.8 58.2 -65.4 -24.9 17.3 -8.9 36.1 63 63 A E H 3> S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -2,-0.1 0.790 100.9 51.2 -78.2 -34.5 17.9 -7.9 39.8 64 64 A I H <> S+ 0 0 22 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.883 109.0 53.0 -72.1 -36.5 14.4 -6.7 40.7 65 65 A A H <>S+ 0 0 9 -4,-1.3 5,-1.9 1,-0.2 3,-0.2 0.934 108.1 53.4 -53.7 -46.5 13.0 -10.0 39.3 66 66 A A H ><5S+ 0 0 70 -4,-1.2 3,-1.7 1,-0.2 -2,-0.2 0.910 102.3 56.5 -58.2 -48.0 15.5 -11.6 41.6 67 67 A K H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.869 113.3 38.4 -55.4 -41.5 14.3 -9.7 44.7 68 68 A Y T 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.201 114.4-113.3 -98.0 18.7 10.7 -10.9 44.4 69 69 A G T < 5 - 0 0 46 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.940 42.4-179.4 53.1 59.4 11.6 -14.4 43.3 70 70 A I < + 0 0 25 -5,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.743 5.5 173.5 -91.0 93.8 10.3 -14.4 39.7 71 71 A M + 0 0 129 -2,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.847 63.2 4.5 -70.1 -34.9 11.3 -17.9 38.6 72 72 A S S S- 0 0 66 -3,-0.2 -1,-0.2 2,-0.0 18,-0.2 -0.998 81.8 -82.5-153.9 153.2 9.5 -17.7 35.2 73 73 A I S S+ 0 0 30 -2,-0.3 2,-0.1 -3,-0.1 -40,-0.1 -0.841 89.4 43.2-115.1 151.0 7.6 -15.4 32.9 74 74 A P S S+ 0 0 6 0, 0.0 16,-2.4 0, 0.0 2,-0.3 0.477 75.1 149.0 -81.1 155.4 4.9 -14.3 32.4 75 75 A T E -CD 25 89A 2 -50,-0.7 -50,-2.1 14,-0.2 2,-0.5 -0.972 32.3-150.5-154.1 133.2 4.0 -13.5 36.0 76 76 A L E -CD 24 88A 4 12,-3.0 12,-3.0 -2,-0.3 2,-0.4 -0.937 9.0-162.8-107.4 132.0 1.8 -10.8 37.5 77 77 A L E -CD 23 87A 0 -54,-2.1 -54,-2.5 -2,-0.5 2,-0.6 -0.945 9.7-146.9-107.7 138.6 2.5 -9.4 41.1 78 78 A F E -CD 22 86A 0 8,-3.2 7,-3.4 -2,-0.4 8,-1.1 -0.909 17.2-163.6-105.1 116.6 -0.2 -7.5 43.0 79 79 A F E +CD 21 84A 2 -58,-3.1 -58,-2.4 -2,-0.6 2,-0.4 -0.819 12.1 176.7-103.5 136.7 1.4 -4.8 45.2 80 80 A K E > S- D 0 83A 58 3,-2.1 3,-1.2 -2,-0.4 -60,-0.1 -0.943 73.6 -12.0-142.3 115.6 -0.5 -3.1 48.0 81 81 A N T 3 S- 0 0 95 -2,-0.4 -66,-0.1 -64,-0.3 -63,-0.1 0.894 127.4 -55.3 61.0 41.9 1.2 -0.6 50.3 82 82 A G T 3 S+ 0 0 17 -68,-0.9 2,-0.4 1,-0.1 -1,-0.2 0.127 119.7 96.2 84.5 -22.6 4.7 -1.5 49.0 83 83 A K E < S-D 80 0A 140 -3,-1.2 -3,-2.1 -69,-0.1 -1,-0.1 -0.851 80.9-105.8-112.9 140.0 4.4 -5.2 49.8 84 84 A V E +D 79 0A 56 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.344 37.3 169.3 -57.2 126.0 3.4 -8.1 47.5 85 85 A V E + 0 0 44 -7,-3.4 2,-0.3 1,-0.3 -6,-0.2 0.512 63.2 17.3-114.5 -12.1 -0.1 -9.4 48.3 86 86 A D E -D 78 0A 29 -8,-1.1 -8,-3.2 2,-0.0 2,-0.4 -0.982 55.2-159.4-162.8 150.6 -0.7 -11.7 45.3 87 87 A Q E -D 77 0A 92 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.998 1.8-169.4-137.6 129.4 1.1 -13.6 42.5 88 88 A L E -D 76 0A 2 -12,-3.0 -12,-3.0 -2,-0.4 2,-0.5 -0.960 9.1-164.3-123.6 114.2 -0.3 -15.0 39.2 89 89 A V E +D 75 0A 66 -2,-0.5 -14,-0.2 -14,-0.2 -16,-0.1 -0.865 55.6 13.1-103.5 124.2 2.0 -17.3 37.3 90 90 A G S S- 0 0 24 -16,-2.4 2,-0.2 -2,-0.5 -14,-0.2 0.048 97.9 -58.3 94.2 153.5 1.2 -18.0 33.6 91 91 A A - 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0 0 44 50,-0.1 52,-0.2 52,-0.1 2,-0.1 -0.673 360.0-140.4 -85.6 117.8 -17.8 -36.1 26.1 108 3 B I E -e 159 0B 65 50,-2.1 52,-2.3 -2,-0.6 2,-0.6 -0.402 9.3-122.5 -83.3 148.3 -14.6 -36.6 28.0 109 4 B E E -e 160 0B 110 50,-0.2 2,-0.5 -2,-0.1 52,-0.2 -0.776 28.6-154.6 -86.9 123.5 -13.0 -34.3 30.6 110 5 B I + 0 0 0 50,-3.4 52,-0.4 -2,-0.6 2,-0.2 -0.881 21.9 160.6-105.8 127.5 -9.6 -33.3 29.6 111 6 B N > - 0 0 48 -2,-0.5 4,-0.8 50,-0.1 55,-0.1 -0.718 56.0 -79.5-128.4-179.4 -6.9 -32.3 32.1 112 7 B D T 4 S+ 0 0 89 -2,-0.2 3,-0.5 1,-0.2 4,-0.5 0.867 124.1 48.1 -49.1 -45.3 -3.1 -32.0 32.3 113 8 B E T 4 S+ 0 0 168 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.966 115.6 37.3 -67.3 -53.6 -2.6 -35.7 32.9 114 9 B N T > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 0.345 92.2 91.8 -86.7 8.7 -4.8 -37.3 30.2 115 10 B F H X S+ 0 0 19 -4,-0.8 4,-2.3 -3,-0.5 3,-0.4 0.967 85.3 46.2 -69.0 -57.6 -4.1 -34.7 27.4 116 11 B D H > S+ 0 0 70 -4,-0.5 4,-2.7 -3,-0.3 -1,-0.2 0.922 114.3 53.6 -47.4 -46.3 -1.2 -36.3 25.6 117 12 B E H 4 S+ 0 0 67 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.6 43.0 -59.0 -41.0 -3.2 -39.6 25.8 118 13 B V H >< S+ 0 0 23 -4,-1.6 3,-0.6 -3,-0.4 4,-0.4 0.864 119.4 43.3 -75.1 -36.7 -6.3 -38.2 24.1 119 14 B I H 3< S+ 0 0 14 -4,-2.3 68,-0.9 1,-0.2 3,-0.2 0.875 115.0 43.9 -82.0 -41.2 -4.5 -36.3 21.4 120 15 B K T 3< S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 0.012 97.2 85.6 -95.1 28.6 -1.8 -38.8 20.3 121 16 B K S < S+ 0 0 122 -3,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.921 86.5 9.6 -93.1 -52.6 -4.3 -41.7 20.3 122 17 B S - 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0 0 51 -18,-0.1 -58,-0.1 -2,-0.1 -2,-0.1 -0.300 58.5-164.7 -63.8 148.5 0.1 -23.1 9.6 302 92 C R - 0 0 35 -60,-0.2 -111,-0.1 -4,-0.1 -2,-0.1 -0.986 19.0-113.5-139.9 147.0 -3.3 -21.6 9.2 303 93 C P > - 0 0 57 0, 0.0 4,-1.6 0, 0.0 5,-0.2 -0.180 39.8-103.6 -63.1 165.9 -6.2 -21.6 6.6 304 94 C K H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.959 122.5 45.9 -60.7 -53.2 -7.1 -18.5 4.7 305 95 C E H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.714 106.8 63.6 -64.7 -19.8 -10.3 -17.7 6.8 306 96 C A H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.950 106.9 39.5 -68.3 -52.0 -8.2 -18.4 9.9 307 97 C L H X S+ 0 0 1 -4,-1.6 4,-3.0 -3,-0.3 5,-0.3 0.967 112.9 59.7 -57.5 -53.2 -5.9 -15.5 9.3 308 98 C K H X S+ 0 0 31 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.884 103.7 47.8 -40.2 -63.7 -8.8 -13.5 8.2 309 99 C E H X S+ 0 0 80 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.887 115.8 45.9 -47.3 -47.2 -10.7 -13.8 11.5 310 100 C R H >< S+ 0 0 43 -4,-1.6 3,-1.0 -3,-0.3 -2,-0.2 0.936 113.2 47.0 -66.1 -51.7 -7.6 -12.9 13.5 311 101 C I H >< S+ 0 0 4 -4,-3.0 3,-2.2 1,-0.2 -1,-0.2 0.829 101.0 66.9 -58.1 -35.9 -6.5 -9.9 11.3 312 102 C K H >< S+ 0 0 66 -4,-2.5 3,-0.8 -5,-0.3 -1,-0.2 0.747 91.0 63.5 -65.1 -20.6 -10.1 -8.4 11.3 313 103 C K T << S+ 0 0 121 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.575 99.9 56.6 -72.6 -8.3 -9.8 -7.7 15.0 314 104 C Y T < 0 0 50 -3,-2.2 -84,-0.3 -4,-0.1 -1,-0.2 0.305 360.0 360.0-115.8 7.8 -7.0 -5.3 14.3 315 105 C L < 0 0 170 -3,-0.8 -85,-0.5 -4,-0.2 -3,-0.1 0.970 360.0 360.0 55.2 360.0 -8.5 -2.8 11.9