==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 20-JAN-11 3QEA . COMPND 2 MOLECULE: EXONUCLEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ORANS,E.A.MCSWEENEY,R.R.IYER,M.A.HAST,H.W.HELLINGA,P.MODRI . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 2 3 0 0 1 0 3 0 2 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 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 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 2 Z G 0 0 34 0, 0.0 2,-0.6 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0-139.2 -1.0 -22.3 8.2 2 3 Z I > - 0 0 5 221,-0.1 3,-1.6 222,-0.0 4,-0.3 -0.901 360.0-117.6-106.3 121.9 -2.5 -21.6 11.6 3 4 Z Q T 3 S- 0 0 174 219,-0.6 231,-0.2 -2,-0.6 220,-0.0 -0.352 90.7 -11.7 -60.8 124.7 -1.9 -18.1 12.9 4 5 Z G T 3> S+ 0 0 49 -2,-0.1 4,-1.3 1,-0.1 -1,-0.3 0.745 88.5 140.9 59.9 28.8 0.1 -18.2 16.2 5 6 Z L H <> + 0 0 1 -3,-1.6 4,-1.8 2,-0.2 3,-0.3 0.957 67.0 51.0 -67.5 -53.0 -0.3 -22.0 16.6 6 7 Z L H 4 S+ 0 0 37 -4,-0.3 4,-0.4 1,-0.2 3,-0.2 0.898 109.8 50.0 -50.3 -46.7 3.2 -22.7 17.9 7 8 Z Q H >4 S+ 0 0 137 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.857 109.3 53.2 -63.2 -34.8 3.0 -20.0 20.6 8 9 Z F H 3< S+ 0 0 24 -4,-1.3 3,-0.2 -3,-0.3 -1,-0.2 0.849 119.9 32.6 -67.2 -36.0 -0.4 -21.5 21.7 9 10 Z I T >< S+ 0 0 1 -4,-1.8 3,-3.0 -3,-0.2 4,-0.3 0.192 77.4 121.3-106.3 12.2 1.2 -24.9 22.1 10 11 Z K G X + 0 0 97 -3,-0.6 3,-1.5 -4,-0.4 -1,-0.2 0.720 64.8 72.6 -57.2 -18.6 4.7 -24.0 23.2 11 12 Z E G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.736 96.8 51.3 -63.9 -23.9 4.1 -26.0 26.4 12 13 Z A G < S+ 0 0 0 -3,-3.0 183,-0.8 187,-0.1 -1,-0.3 0.401 93.3 96.5 -93.4 -0.4 4.4 -29.1 24.2 13 14 Z S E < -A 194 0A 33 -3,-1.5 181,-0.2 -4,-0.3 180,-0.1 -0.249 50.9-168.5 -86.5 177.3 7.7 -28.2 22.5 14 15 Z E E -A 193 0A 69 179,-0.7 179,-2.5 -2,-0.1 2,-0.2 -0.838 25.9-117.0-169.6 124.7 11.2 -29.3 23.5 15 16 Z P E +A 192 0A 110 0, 0.0 2,-0.3 0, 0.0 177,-0.2 -0.512 49.1 159.3 -66.6 129.7 14.7 -28.2 22.5 16 17 Z I E -A 191 0A 20 175,-2.2 175,-1.7 -2,-0.2 2,-0.4 -0.855 37.6-124.9-139.5 172.9 16.5 -31.1 20.8 17 18 Z H E > -A 190 0A 43 -2,-0.3 3,-2.0 173,-0.2 173,-0.2 -0.984 25.0-125.2-118.7 144.2 19.4 -31.9 18.4 18 19 Z V G > S+ 0 0 4 171,-2.0 3,-3.2 -2,-0.4 172,-0.1 0.715 100.8 82.8 -58.9 -22.5 19.0 -33.9 15.2 19 20 Z R G > S+ 0 0 167 1,-0.3 3,-2.8 2,-0.2 -1,-0.3 0.856 75.3 78.4 -45.0 -35.7 21.6 -36.4 16.3 20 21 Z K G < S+ 0 0 85 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.754 90.7 51.4 -43.7 -30.4 18.7 -37.8 18.2 21 22 Z Y G X S+ 0 0 5 -3,-3.2 3,-2.4 -4,-0.1 50,-0.3 0.095 76.0 146.1-104.0 23.1 17.6 -39.3 14.9 22 23 Z K T < S+ 0 0 149 -3,-2.8 48,-0.2 1,-0.3 47,-0.2 -0.376 74.9 18.2 -55.5 132.4 20.9 -41.0 14.1 23 24 Z G T 3 S+ 0 0 76 46,-3.6 -1,-0.3 1,-0.3 2,-0.2 0.464 113.8 101.5 81.5 0.1 20.2 -44.3 12.2 24 25 Z Q S < S- 0 0 70 -3,-2.4 47,-2.8 45,-0.4 2,-0.4 -0.606 72.5-109.6-114.4 173.1 16.6 -43.0 11.5 25 26 Z V E -b 71 0A 37 -2,-0.2 139,-2.7 45,-0.2 140,-0.6 -0.899 29.1-173.4-108.1 133.4 14.7 -41.6 8.6 26 27 Z V E -bc 72 165A 3 45,-3.3 47,-2.3 -2,-0.4 2,-0.3 -0.989 15.1-142.3-130.1 129.7 13.5 -38.0 8.5 27 28 Z A E -bc 73 166A 0 138,-2.2 140,-2.8 -2,-0.4 2,-0.4 -0.674 19.5-147.0 -89.2 143.8 11.2 -36.2 6.0 28 29 Z V E -bc 74 167A 0 45,-3.1 47,-2.2 -2,-0.3 2,-2.0 -0.914 19.4-142.7-118.4 132.3 12.0 -32.6 5.0 29 30 Z D E >> -b 75 0A 7 138,-3.1 3,-1.8 -2,-0.4 4,-0.6 -0.570 31.6-177.6 -81.0 75.5 9.7 -29.7 4.0 30 31 Z T H >> + 0 0 0 -2,-2.0 4,-2.4 45,-0.9 3,-0.8 0.750 67.8 71.7 -55.0 -30.7 12.4 -28.7 1.5 31 32 Z Y H 3> S+ 0 0 81 44,-0.5 4,-2.9 1,-0.3 -1,-0.3 0.858 89.9 61.1 -50.3 -44.1 10.4 -25.6 0.4 32 33 Z C H <> S+ 0 0 18 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.888 108.7 42.0 -52.5 -44.1 11.2 -23.9 3.7 33 34 Z W H < S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.2 -1,-0.2 0.796 93.7 66.7 -68.4 -30.1 16.0 -17.6 -2.2 39 40 Z I H >< S+ 0 0 78 -4,-1.4 3,-1.3 -3,-0.3 4,-0.3 0.893 92.7 59.0 -54.9 -44.1 16.3 -14.6 0.1 40 41 Z A T 3< S+ 0 0 65 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.620 119.2 29.1 -65.5 -14.2 20.1 -14.5 -0.5 41 42 Z C T <> S+ 0 0 3 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.3 0.013 74.5 123.9-135.6 31.8 19.5 -14.0 -4.2 42 43 Z A H <> S+ 0 0 11 -3,-1.3 4,-1.7 1,-0.2 5,-0.2 0.929 80.0 51.7 -63.5 -43.3 16.2 -12.2 -4.6 43 44 Z E H > S+ 0 0 43 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.930 111.5 45.2 -53.8 -52.2 17.9 -9.4 -6.6 44 45 Z K H 4>S+ 0 0 87 1,-0.2 5,-1.5 2,-0.2 -1,-0.2 0.854 109.3 55.4 -65.3 -39.4 19.6 -11.8 -9.0 45 46 Z L H ><5S+ 0 0 52 -4,-2.3 3,-0.8 -7,-0.2 -1,-0.2 0.873 107.4 50.9 -58.1 -41.2 16.4 -13.9 -9.6 46 47 Z A H 3<5S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 107.7 50.1 -65.9 -46.8 14.4 -10.8 -10.6 47 48 Z K T 3<5S- 0 0 122 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.430 115.2-116.7 -75.3 4.3 16.9 -9.6 -13.1 48 49 Z G T < 5 + 0 0 64 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.548 62.5 156.6 73.7 5.0 16.9 -13.1 -14.6 49 50 Z E < - 0 0 69 -5,-1.5 2,-0.7 -6,-0.2 -1,-0.2 -0.362 53.3 -99.3 -65.0 144.6 20.5 -13.4 -13.7 50 51 Z P + 0 0 123 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.545 54.8 165.1 -68.3 105.0 21.8 -17.0 -13.2 51 52 Z T + 0 0 10 -2,-0.7 -10,-0.1 1,-0.1 3,-0.0 -0.979 25.4 169.3-128.1 142.9 21.9 -17.8 -9.5 52 53 Z D >> + 0 0 94 -2,-0.4 4,-1.3 2,-0.1 3,-1.1 0.127 45.3 116.1-127.6 16.9 22.3 -21.1 -7.6 53 54 Z R H 3> S+ 0 0 172 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.833 72.8 58.8 -61.9 -34.9 22.9 -19.9 -4.1 54 55 Z Y H 3> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.783 101.4 56.7 -66.2 -26.0 19.6 -21.5 -2.8 55 56 Z V H <> S+ 0 0 22 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.939 107.7 45.5 -67.4 -47.6 20.9 -24.9 -3.9 56 57 Z G H X S+ 0 0 42 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.858 111.3 55.7 -62.8 -35.8 24.1 -24.7 -1.9 57 58 Z F H X S+ 0 0 44 -4,-1.8 4,-1.0 2,-0.2 3,-0.2 0.919 108.7 45.2 -62.0 -45.0 21.9 -23.4 1.0 58 59 Z C H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.898 111.5 53.7 -66.2 -41.1 19.6 -26.5 0.9 59 60 Z M H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.736 98.2 65.0 -66.0 -25.2 22.7 -28.8 0.6 60 61 Z K H X S+ 0 0 96 -4,-1.3 4,-1.2 -3,-0.2 -1,-0.2 0.903 108.5 38.5 -66.0 -40.9 24.2 -27.3 3.7 61 62 Z F H X S+ 0 0 5 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.902 116.1 53.0 -76.2 -41.0 21.3 -28.6 5.8 62 63 Z V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.921 110.6 45.8 -55.2 -48.4 21.2 -31.9 3.9 63 64 Z N H X S+ 0 0 78 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.813 109.9 56.4 -70.7 -27.5 24.9 -32.5 4.4 64 65 Z M H X S+ 0 0 17 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.2 0.909 108.0 47.7 -64.2 -42.7 24.4 -31.6 8.0 65 66 Z L H ><>S+ 0 0 1 -4,-2.3 5,-1.1 1,-0.2 3,-0.8 0.903 112.6 48.0 -63.5 -43.5 21.8 -34.3 8.4 66 67 Z L H ><5S+ 0 0 59 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.869 103.4 61.5 -66.5 -36.9 23.9 -36.9 6.7 67 68 Z S H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.694 103.2 52.1 -63.8 -18.5 26.9 -36.0 8.8 68 69 Z H T <<5S- 0 0 54 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 -0.006 124.6-103.0-106.8 25.8 24.9 -37.1 11.8 69 70 Z G T < 5S+ 0 0 35 -3,-2.0 -46,-3.6 1,-0.2 -45,-0.4 0.935 73.8 145.1 57.0 52.9 23.9 -40.4 10.3 70 71 Z I < - 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0 0 3 -2,-0.6 3,-1.4 67,-0.2 230,-0.1 -0.171 30.5-108.9 -46.2 138.5 -5.2 -28.0 -5.0 82 83 Z P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.436 109.1 43.7 -60.8 156.5 -8.4 -27.0 -6.6 83 84 Z S T 3 S+ 0 0 58 1,-0.1 4,-0.1 -3,-0.1 -2,-0.1 0.331 116.1 50.0 85.4 -5.3 -10.2 -24.5 -4.2 84 85 Z K S <> S+ 0 0 17 -3,-1.4 4,-1.5 2,-0.1 5,-0.2 0.102 82.0 95.7-140.8 8.7 -6.9 -22.7 -3.6 85 86 Z K H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.917 93.9 37.4 -69.9 -37.5 -6.3 -22.4 -7.3 86 87 Z E H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 113.1 53.5 -75.4 -51.6 -7.9 -19.0 -7.1 87 88 Z V H 4 S+ 0 0 74 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.750 114.7 46.3 -55.7 -25.4 -6.5 -17.9 -3.8 88 89 Z E H >X S+ 0 0 53 -4,-1.5 4,-1.4 2,-0.2 3,-1.3 0.853 104.0 55.0 -84.5 -40.9 -3.1 -18.8 -5.2 89 90 Z R H 3X S+ 0 0 89 -4,-1.6 4,-1.2 1,-0.3 -2,-0.2 0.825 101.8 66.2 -63.6 -26.4 -3.3 -17.1 -8.6 90 91 Z S H 3X S+ 0 0 51 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.820 98.7 48.3 -57.2 -37.7 -4.1 -14.1 -6.4 91 92 Z R H <> S+ 0 0 126 -3,-1.3 4,-3.7 -4,-0.3 5,-0.4 0.847 98.1 71.1 -73.0 -34.6 -0.6 -14.2 -5.0 92 93 Z R H X S+ 0 0 169 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.909 106.2 38.0 -48.6 -46.8 0.7 -14.5 -8.6 93 94 Z E H >X S+ 0 0 99 -4,-1.2 4,-1.9 2,-0.2 3,-1.0 0.948 117.1 47.2 -75.7 -52.0 -0.4 -10.8 -9.1 94 95 Z R H 3X S+ 0 0 189 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.841 109.8 55.6 -56.0 -34.6 0.6 -9.4 -5.6 95 96 Z R H 3< S+ 0 0 59 -4,-3.7 4,-0.3 1,-0.2 -1,-0.2 0.728 111.0 45.6 -69.6 -22.0 4.0 -11.1 -5.9 96 97 Z Q H << S+ 0 0 112 -3,-1.0 4,-0.2 -4,-0.6 -2,-0.2 0.729 106.5 59.4 -87.4 -29.4 4.4 -9.3 -9.2 97 98 Z A H >X S+ 0 0 50 -4,-1.9 3,-1.5 1,-0.2 4,-0.9 0.923 104.7 48.1 -64.5 -49.5 3.2 -6.0 -7.7 98 99 Z N H 3X S+ 0 0 35 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.749 101.9 65.3 -63.2 -25.6 6.0 -5.9 -5.1 99 100 Z L H 3> S+ 0 0 28 -4,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.621 98.0 58.1 -72.9 -10.7 8.5 -6.7 -7.9 100 101 Z L H <> S+ 0 0 93 -3,-1.5 4,-1.2 -4,-0.2 -2,-0.2 0.859 98.6 53.9 -84.0 -41.2 7.5 -3.3 -9.3 101 102 Z K H X S+ 0 0 112 -4,-0.9 4,-2.5 1,-0.2 5,-0.3 0.872 102.1 60.2 -61.3 -38.7 8.5 -1.1 -6.3 102 103 Z G H X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.925 103.8 50.0 -54.2 -46.0 12.0 -2.6 -6.2 103 104 Z K H < S+ 0 0 98 -4,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.818 113.6 43.2 -70.7 -34.1 12.7 -1.3 -9.7 104 105 Z Q H >< S+ 0 0 98 -4,-1.2 3,-0.6 -3,-0.2 -1,-0.2 0.894 114.4 48.6 -77.6 -43.2 11.6 2.2 -9.2 105 106 Z L H >X>S+ 0 0 40 -4,-2.5 3,-1.1 1,-0.3 4,-0.6 0.843 105.4 59.6 -66.6 -33.6 13.2 2.7 -5.7 106 107 Z L T 3<5S+ 0 0 54 -4,-2.2 -1,-0.3 -5,-0.3 3,-0.2 0.755 105.2 51.7 -64.6 -24.5 16.5 1.3 -7.1 107 108 Z R T <45S+ 0 0 179 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 -0.299 103.3 57.8-107.6 47.4 16.4 4.2 -9.6 108 109 Z E T <45S- 0 0 134 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.365 119.8 -91.9-143.5 -16.3 15.9 6.9 -7.0 109 110 Z G T <5S+ 0 0 66 -4,-0.6 2,-0.9 1,-0.2 3,-0.2 -0.078 97.4 108.0 118.0 -31.3 19.0 6.4 -4.8 110 111 Z K < + 0 0 110 -5,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.716 24.1 151.2 -79.3 105.6 17.3 4.1 -2.3 111 112 Z V > + 0 0 49 -2,-0.9 4,-0.8 3,-0.1 -1,-0.2 0.466 65.9 69.7-107.0 -8.7 18.6 0.6 -2.8 112 113 Z S T 4 S+ 0 0 99 -3,-0.2 4,-0.4 2,-0.1 -2,-0.1 0.911 106.9 29.8 -76.3 -47.0 18.0 -0.3 0.8 113 114 Z E T > S+ 0 0 101 2,-0.2 4,-0.6 1,-0.1 -1,-0.1 0.648 110.2 68.7 -88.1 -14.1 14.3 -0.5 1.0 114 115 Z A H >> S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.8 0.904 98.8 52.3 -62.7 -42.4 13.9 -1.5 -2.7 115 116 Z R H 3X S+ 0 0 143 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.697 95.9 67.1 -63.5 -30.2 15.4 -4.9 -1.8 116 117 Z E H 34 S+ 0 0 113 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.793 102.7 48.6 -63.4 -31.8 12.9 -5.4 1.1 117 118 Z C H << S+ 0 0 19 -3,-0.8 3,-0.4 -4,-0.6 4,-0.3 0.784 101.8 61.3 -79.1 -33.4 10.3 -5.7 -1.6 118 119 Z F H >< S+ 0 0 11 -4,-0.8 3,-1.5 1,-0.3 4,-0.4 0.867 97.0 59.5 -62.4 -38.6 12.3 -8.2 -3.8 119 120 Z T G >< S+ 0 0 48 -4,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.851 109.0 45.6 -59.0 -31.5 12.2 -10.7 -0.8 120 121 Z R G 3 S+ 0 0 141 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.448 108.6 54.7 -92.3 0.7 8.4 -10.4 -1.2 121 122 Z S G < S+ 0 0 11 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.272 79.3 132.0-110.4 8.4 8.5 -10.8 -5.0 122 123 Z I < - 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