==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-APR-10 3MGD . COMPND 2 MOLECULE: PREDICTED ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR A.KUZIN,Y.CHEN,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICCOSANTI,L. . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.6 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 . 4 1.3 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 1 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 4 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 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 1 A X 0 0 211 0, 0.0 58,-0.3 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 175.1 22.8 33.3 30.7 2 2 A X - 0 0 54 56,-0.1 2,-0.4 54,-0.1 56,-0.2 -0.304 360.0-162.7 -62.7 135.2 19.5 33.4 32.6 3 3 A N E -A 57 0A 62 54,-3.0 54,-2.9 -2,-0.0 2,-0.4 -0.976 2.7-154.4-121.1 137.8 18.4 36.6 34.3 4 4 A Y E +A 56 0A 74 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.891 23.3 153.2-109.8 134.4 15.8 36.9 37.0 5 5 A R E -A 55 0A 62 50,-2.0 50,-2.9 -2,-0.4 2,-0.4 -0.979 43.8-103.8-150.3 161.0 13.7 40.0 37.8 6 6 A K E -A 54 0A 105 -2,-0.3 48,-0.2 48,-0.2 2,-0.1 -0.711 46.8-107.1 -86.5 136.7 10.4 41.0 39.3 7 7 A A - 0 0 13 46,-3.0 46,-0.3 -2,-0.4 2,-0.2 -0.358 33.8-157.7 -64.9 143.6 7.7 42.0 36.8 8 8 A D > - 0 0 98 -2,-0.1 3,-2.0 1,-0.0 4,-0.2 -0.632 39.0 -91.0-111.0 174.0 6.8 45.7 36.4 9 9 A X G > S+ 0 0 86 1,-0.3 3,-1.8 -2,-0.2 4,-0.2 0.865 125.1 63.4 -51.3 -39.8 3.6 47.4 35.0 10 10 A K G 3 S+ 0 0 191 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.724 97.5 57.6 -58.5 -24.6 5.4 47.4 31.6 11 11 A D G X> S+ 0 0 11 -3,-2.0 4,-2.1 1,-0.2 3,-0.7 0.427 74.3 104.0 -87.3 -1.3 5.4 43.6 31.6 12 12 A I H <> S+ 0 0 8 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.871 75.4 52.4 -57.1 -43.7 1.7 43.1 32.0 13 13 A S H 3> S+ 0 0 88 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.876 112.3 48.6 -63.8 -30.5 0.8 42.1 28.4 14 14 A L H <> S+ 0 0 81 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.914 110.6 49.6 -70.2 -44.2 3.5 39.5 28.5 15 15 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.874 110.5 51.7 -60.4 -40.4 2.3 38.1 31.9 16 16 A V H X S+ 0 0 8 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.936 112.2 44.9 -61.1 -49.2 -1.2 38.0 30.4 17 17 A S H X S+ 0 0 52 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.906 113.5 49.7 -62.6 -43.7 -0.0 36.0 27.4 18 18 A I H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.889 107.9 54.0 -66.4 -38.2 2.1 33.6 29.4 19 19 A R H X S+ 0 0 60 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.929 110.4 46.3 -61.5 -44.9 -0.8 32.9 31.8 20 20 A K H X S+ 0 0 35 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.934 112.6 50.9 -60.0 -43.5 -3.1 32.0 28.9 21 21 A R H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 110.9 49.6 -59.4 -42.7 -0.3 29.8 27.5 22 22 A Q H X S+ 0 0 14 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.925 110.8 47.9 -61.6 -48.5 0.2 28.1 30.9 23 23 A L H <>S+ 0 0 28 -4,-2.4 5,-2.0 2,-0.2 4,-0.3 0.889 111.9 49.4 -65.0 -39.3 -3.5 27.4 31.4 24 24 A I H ><5S+ 0 0 7 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.922 108.1 53.9 -67.1 -41.7 -3.8 25.9 27.9 25 25 A D H 3<5S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.836 103.8 58.2 -54.3 -35.9 -0.7 23.8 28.5 26 26 A E T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.557 125.2-104.3 -74.1 -9.8 -2.6 22.5 31.6 27 27 A G T < 5 + 0 0 43 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.483 68.2 149.7 103.7 4.5 -5.5 21.3 29.4 28 28 A I < - 0 0 89 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.0 -0.403 50.8-116.7 -74.6 146.8 -8.0 24.0 30.1 29 29 A E - 0 0 71 -2,-0.1 2,-2.5 1,-0.1 3,-0.2 -0.772 16.0-145.8 -88.4 111.4 -10.5 24.9 27.3 30 30 A P + 0 0 21 0, 0.0 142,-0.2 0, 0.0 141,-0.1 -0.372 43.6 150.6 -78.5 66.9 -9.9 28.6 26.3 31 31 A N + 0 0 26 -2,-2.5 185,-2.0 140,-0.1 2,-0.3 0.520 55.7 30.8 -78.3 -23.2 -13.7 29.0 25.6 32 32 A I S S- 0 0 93 -3,-0.2 2,-0.7 183,-0.2 183,-0.1 -0.903 86.8-100.0-139.3 163.7 -14.1 32.7 26.3 33 33 A D + 0 0 73 -2,-0.3 4,-0.2 1,-0.1 3,-0.2 -0.809 38.6 167.1 -91.2 115.9 -12.0 35.8 26.1 34 34 A I > + 0 0 55 -2,-0.7 4,-2.6 1,-0.1 5,-0.3 0.140 40.0 113.3-113.7 22.2 -10.5 36.8 29.5 35 35 A D H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 77.5 50.4 -58.9 -44.3 -7.9 39.3 28.3 36 36 A K H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.945 113.8 44.2 -59.9 -47.6 -9.7 42.2 30.0 37 37 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 113.8 49.3 -68.7 -39.9 -10.0 40.5 33.3 38 38 A L H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.944 112.6 48.3 -61.6 -48.1 -6.4 39.2 33.3 39 39 A T H X S+ 0 0 53 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.891 113.0 47.6 -62.0 -40.9 -5.1 42.6 32.4 40 40 A R H X S+ 0 0 134 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.902 110.1 53.2 -65.6 -41.7 -7.2 44.2 35.2 41 41 A Y H X S+ 0 0 83 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.923 113.5 42.0 -58.0 -48.2 -6.0 41.6 37.7 42 42 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.5 0.938 113.9 52.4 -66.7 -46.8 -2.3 42.2 37.0 43 43 A N H X S+ 0 0 64 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.927 116.3 39.0 -53.5 -50.2 -2.8 46.0 36.9 44 44 A N H X S+ 0 0 82 -4,-2.6 4,-1.8 2,-0.2 6,-0.2 0.928 119.3 42.8 -66.9 -49.2 -4.5 46.1 40.3 45 45 A K H <>S+ 0 0 71 -4,-2.5 5,-1.9 -5,-0.3 6,-1.2 0.844 116.3 47.3 -75.2 -33.4 -2.5 43.5 42.2 46 46 A L H ><5S+ 0 0 24 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.934 111.1 51.8 -69.9 -43.1 0.9 44.6 40.9 47 47 A A H 3<5S+ 0 0 66 -4,-1.6 -2,-0.2 -5,-0.5 -1,-0.2 0.869 116.4 40.0 -61.6 -36.8 0.1 48.3 41.6 48 48 A N T 3<5S- 0 0 105 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.312 109.6-121.8 -92.8 2.9 -0.9 47.5 45.2 49 49 A N T < 5S+ 0 0 92 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.750 77.3 125.3 59.5 26.5 2.0 45.0 45.7 50 50 A L S S- B 0 61A 78 3,-2.3 3,-2.0 -2,-0.3 -56,-0.1 -0.982 83.3 -4.4-141.2 136.6 17.2 34.9 28.3 59 59 A N T 3 S- 0 0 158 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.877 128.6 -67.5 49.0 37.0 18.0 37.0 25.2 60 60 A N T 3 S+ 0 0 114 1,-0.2 2,-0.4 -57,-0.0 -1,-0.3 0.837 110.6 120.3 41.0 44.0 15.1 39.0 26.6 61 61 A Q E < S-B 58 0A 114 -3,-2.0 -3,-2.3 0, 0.0 2,-0.4 -0.988 72.1-111.0-117.9 138.8 12.5 36.3 26.0 62 62 A I E +B 57 0A 21 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.566 35.9 175.4 -74.4 122.4 10.7 35.0 29.0 63 63 A I E + 0 0 23 -7,-3.0 30,-3.0 -2,-0.4 2,-0.3 0.773 66.2 1.7 -91.0 -38.2 11.7 31.4 29.9 64 64 A A E -BC 56 92A 0 -8,-1.5 -8,-2.5 28,-0.2 -1,-0.3 -0.991 55.9-163.7-150.0 155.1 9.8 31.0 33.1 65 65 A T E +BC 55 91A 2 26,-2.5 26,-2.0 -2,-0.3 2,-0.3 -0.933 8.2 174.2-132.0 163.6 7.4 32.8 35.4 66 66 A A E -B 54 0A 0 -12,-1.6 -12,-2.9 -2,-0.3 2,-0.3 -0.845 10.6-170.1-166.5 130.2 6.3 32.2 39.0 67 67 A A E -BC 53 88A 0 21,-3.0 21,-2.4 -14,-0.3 2,-0.4 -0.883 14.0-158.3-127.6 160.1 4.0 34.4 41.2 68 68 A I E -BC 52 87A 0 -16,-2.2 -16,-2.5 -2,-0.3 2,-0.4 -0.998 10.1-161.9-134.3 131.2 2.9 34.8 44.8 69 69 A A E -BC 51 86A 2 17,-2.8 17,-3.8 -2,-0.4 2,-0.6 -0.908 16.8-133.5-108.6 141.7 -0.3 36.6 45.8 70 70 A F E - C 0 85A 17 -20,-2.0 2,-0.3 -2,-0.4 15,-0.2 -0.865 29.8-177.6-102.2 118.2 -0.8 37.7 49.4 71 71 A I E - C 0 84A 66 13,-2.7 13,-2.5 -2,-0.6 2,-0.5 -0.885 20.1-132.4-122.8 147.2 -4.3 36.9 50.6 72 72 A D E + C 0 83A 126 -2,-0.3 11,-0.2 11,-0.2 10,-0.1 -0.868 26.7 168.6-107.2 123.4 -6.1 37.6 54.0 73 73 A F - 0 0 72 9,-1.6 3,-0.1 -2,-0.5 -2,-0.0 -0.797 49.6 -75.1-119.5 167.3 -7.9 34.9 55.9 74 74 A P - 0 0 110 0, 0.0 8,-0.2 0, 0.0 7,-0.1 -0.407 58.3-102.1 -64.1 138.3 -9.3 35.2 59.5 75 75 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.162 43.6-179.1 -53.8 147.3 -6.5 34.9 62.1 76 76 A T B > -E 79 0B 73 3,-1.6 3,-1.7 -3,-0.1 6,-0.2 -0.921 43.9 -97.8-140.7 171.5 -6.1 31.6 64.0 77 77 A Y T 3 S+ 0 0 239 -2,-0.3 3,-0.3 1,-0.3 -1,-0.0 0.789 124.3 46.8 -63.6 -24.0 -3.8 30.4 66.7 78 78 A T T 3 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.368 126.7 27.1 -98.2 3.5 -1.5 28.8 64.2 79 79 A N B X S-E 76 0B 7 -3,-1.7 -3,-1.6 39,-0.0 3,-1.3 -0.504 72.5-173.8-159.8 79.1 -1.4 31.8 61.9 80 80 A K T 3 S+ 0 0 177 -3,-0.3 -3,-0.1 1,-0.3 -2,-0.1 0.726 83.8 44.2 -62.1 -27.0 -2.0 34.9 64.0 81 81 A T T 3 S- 0 0 47 2,-0.1 -1,-0.3 36,-0.1 3,-0.1 0.665 96.7-137.7 -85.8 -18.9 -2.2 37.4 61.2 82 82 A G < + 0 0 1 -3,-1.3 -9,-1.6 1,-0.3 -2,-0.1 0.341 57.4 135.1 77.5 -7.2 -4.4 35.2 59.0 83 83 A R E -C 72 0A 86 -11,-0.2 36,-0.3 34,-0.1 2,-0.3 -0.419 30.6-177.8 -77.1 149.0 -2.3 36.1 55.9 84 84 A K E -C 71 0A 54 -13,-2.5 -13,-2.7 -2,-0.1 2,-0.5 -0.977 26.9-125.2-139.5 154.4 -1.1 33.5 53.4 85 85 A G E -Cd 70 121A 0 35,-2.2 37,-2.6 -2,-0.3 2,-0.6 -0.875 23.7-154.9 -97.0 133.1 1.0 33.5 50.3 86 86 A Y E -Cd 69 122A 77 -17,-3.8 -17,-2.8 -2,-0.5 2,-0.3 -0.941 8.8-146.5-112.7 114.2 -0.8 32.0 47.4 87 87 A I E +Cd 68 123A 5 35,-2.7 37,-0.5 -2,-0.6 2,-0.3 -0.627 36.0 136.1 -88.2 139.3 1.5 30.6 44.7 88 88 A T E +C 67 0A 25 -21,-2.4 -21,-3.0 -2,-0.3 35,-0.0 -0.920 34.3 57.8-163.4 176.3 0.3 30.8 41.1 89 89 A N E + 0 0 3 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.832 62.3 162.9 54.6 37.2 1.3 31.6 37.5 90 90 A X E + 0 0 20 -24,-0.2 2,-0.3 -3,-0.1 -24,-0.2 -0.794 3.0 153.6 -91.9 128.1 4.1 29.1 37.4 91 91 A Y E -C 65 0A 14 -26,-2.0 -26,-2.5 -2,-0.5 2,-0.4 -0.984 22.5-169.8-152.5 132.9 5.3 28.2 33.9 92 92 A T E -C 64 0A 14 -2,-0.3 -28,-0.2 -28,-0.2 5,-0.1 -1.000 39.1-103.9-123.3 133.8 8.5 27.0 32.5 93 93 A E > - 0 0 22 -30,-3.0 3,-2.0 -2,-0.4 4,-0.4 -0.275 36.4-121.3 -49.3 131.4 9.2 26.8 28.7 94 94 A P G > S+ 0 0 19 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.861 110.7 51.5 -52.0 -44.8 8.9 23.1 27.8 95 95 A T G 3 S+ 0 0 106 90,-0.3 -2,-0.1 1,-0.3 90,-0.0 0.637 111.5 51.5 -68.7 -10.8 12.4 22.7 26.4 96 96 A S G X S+ 0 0 23 -3,-2.0 3,-0.6 -33,-0.1 5,-0.3 0.405 86.3 115.7-102.4 -0.4 13.7 24.3 29.7 97 97 A R T < + 0 0 85 -3,-1.6 -4,-0.0 -4,-0.4 0, 0.0 -0.213 62.2 35.5 -69.3 160.7 11.8 21.9 32.0 98 98 A G T 3 S+ 0 0 84 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.647 86.0 102.2 72.6 15.8 13.5 19.5 34.4 99 99 A N S < S- 0 0 128 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.390 100.4-101.6-107.4 1.7 16.4 21.8 35.1 100 100 A G S > S+ 0 0 40 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.608 81.6 131.1 90.4 13.8 15.2 23.0 38.5 101 101 A I H > S+ 0 0 14 -5,-0.3 4,-2.2 2,-0.2 5,-0.2 0.965 75.2 42.6 -66.1 -53.2 13.8 26.3 37.3 102 102 A A H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 114.1 54.0 -58.4 -40.2 10.4 26.1 38.9 103 103 A T H > S+ 0 0 47 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.916 109.8 46.2 -61.7 -43.1 12.1 24.7 42.1 104 104 A G H X S+ 0 0 27 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.837 109.2 56.1 -67.2 -33.9 14.4 27.7 42.3 105 105 A X H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.908 101.3 57.4 -61.6 -42.9 11.5 30.0 41.7 106 106 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.893 103.2 54.5 -54.9 -39.9 9.7 28.5 44.7 107 107 A D H X S+ 0 0 93 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.918 108.7 48.0 -59.4 -43.7 12.8 29.6 46.8 108 108 A R H X S+ 0 0 92 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.872 111.9 49.5 -65.8 -36.7 12.3 33.1 45.6 109 109 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.897 106.9 54.1 -70.6 -40.1 8.6 33.1 46.3 110 110 A V H X S+ 0 0 40 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.896 107.0 53.8 -57.6 -39.2 9.2 31.8 49.8 111 111 A N H X S+ 0 0 79 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.900 103.6 54.1 -64.1 -39.2 11.5 34.7 50.3 112 112 A E H X S+ 0 0 15 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.894 110.1 49.7 -58.4 -39.4 8.8 37.2 49.3 113 113 A A H ><>S+ 0 0 2 -4,-1.8 5,-2.3 1,-0.2 3,-1.1 0.938 109.7 48.2 -65.3 -48.5 6.6 35.6 51.9 114 114 A K H ><5S+ 0 0 139 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.880 105.1 58.9 -62.0 -39.2 9.2 35.8 54.7 115 115 A E H 3<5S+ 0 0 145 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.693 110.0 45.3 -66.0 -15.1 10.0 39.5 53.9 116 116 A R T <<5S- 0 0 70 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.125 121.4-106.7-111.5 17.2 6.3 40.2 54.6 117 117 A N T < 5S+ 0 0 129 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.876 73.2 141.0 58.5 42.0 6.1 38.1 57.8 118 118 A I < + 0 0 6 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.2 -0.948 23.0 169.1-115.5 134.4 4.1 35.3 56.1 119 119 A H + 0 0 112 -2,-0.4 2,-0.5 -36,-0.3 -1,-0.1 0.329 57.2 75.2-128.6 4.9 4.8 31.7 57.0 120 120 A K - 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