==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-FEB-07 2OWF . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,Y.MORIKAWA,Y.MATSUURA,H.SHIMADA,N.KUNISHIMA,RIKEN . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 1 0.4 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 . 15 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 0 0 0 1 1 1 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 M 0 0 121 0, 0.0 106,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -9.8 39.7 0.3 24.6 2 2 A V E -ab 79 107A 15 76,-1.4 78,-3.0 73,-0.3 2,-0.5 -0.980 360.0-167.0-132.4 137.0 40.9 0.2 20.9 3 3 A L E -ab 80 108A 0 104,-3.0 106,-1.9 -2,-0.4 2,-0.5 -0.982 10.4-159.0-121.2 127.2 42.8 2.6 18.7 4 4 A Y E -ab 81 109A 51 76,-2.8 78,-3.1 -2,-0.5 2,-0.8 -0.918 7.5-153.6-109.1 123.8 43.0 1.9 14.9 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.6 -2,-0.5 2,-0.5 -0.873 25.1-173.1 -93.6 113.1 45.7 3.5 12.7 6 6 A I E -ab 83 111A 0 76,-2.3 78,-1.7 -2,-0.8 2,-0.2 -0.939 17.9-139.1-118.2 124.5 44.1 3.7 9.3 7 7 A G E -a 84 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.516 5.5-160.8 -79.5 140.9 45.8 4.7 6.1 8 8 A L - 0 0 2 76,-2.7 7,-0.3 78,-0.4 2,-0.2 0.650 39.2-119.7 -96.0 -18.3 43.8 6.9 3.7 9 9 A G B -E 86 0B 0 77,-1.1 77,-4.7 75,-0.4 -1,-0.3 -0.709 29.2 -73.3 109.4-164.8 45.8 6.3 0.5 10 10 A L S S+ 0 0 5 -2,-0.2 30,-0.4 75,-0.2 -1,-0.1 0.776 108.4 11.3-107.0 -35.3 47.8 8.5 -1.8 11 11 A Y S S+ 0 0 54 1,-0.3 30,-1.8 199,-0.2 31,-0.3 0.814 114.1 2.6-115.0 -66.1 45.4 10.6 -3.9 12 12 A D S > S- 0 0 22 198,-0.2 3,-2.0 29,-0.2 -1,-0.3 -0.667 78.1 -86.0-127.2-177.4 41.7 10.7 -3.0 13 13 A E G > S+ 0 0 12 1,-0.3 3,-0.8 28,-0.3 29,-0.1 0.666 118.3 64.5 -67.8 -13.3 39.3 9.4 -0.4 14 14 A R G 3 S+ 0 0 173 1,-0.2 -1,-0.3 -5,-0.0 -5,-0.1 0.477 80.6 81.8 -87.7 0.8 38.8 6.1 -2.3 15 15 A D G < S+ 0 0 30 -3,-2.0 -1,-0.2 -7,-0.3 2,-0.2 0.471 70.2 98.2 -83.9 -3.3 42.4 5.1 -1.7 16 16 A I S < S- 0 0 16 -3,-0.8 -8,-0.2 -4,-0.1 2,-0.1 -0.521 84.5-108.7 -72.6 152.8 41.4 3.9 1.7 17 17 A T > - 0 0 51 -10,-0.5 4,-2.7 95,-0.3 5,-0.2 -0.465 19.4-115.2 -82.0 161.3 40.9 0.1 1.9 18 18 A V H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 120.9 52.3 -59.9 -37.6 37.4 -1.4 2.3 19 19 A K H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 109.1 49.8 -63.7 -42.7 38.6 -2.7 5.7 20 20 A G H > S+ 0 0 0 2,-0.2 4,-2.3 92,-0.2 -2,-0.2 0.925 112.1 46.8 -62.4 -45.7 39.7 0.8 6.7 21 21 A L H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.948 112.4 49.0 -62.0 -50.8 36.4 2.3 5.7 22 22 A E H X S+ 0 0 110 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.872 113.7 46.1 -58.6 -40.7 34.3 -0.3 7.5 23 23 A I H X S+ 0 0 34 -4,-2.1 4,-0.8 -5,-0.2 3,-0.5 0.902 110.6 53.0 -70.0 -40.1 36.3 0.0 10.7 24 24 A A H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.913 106.6 53.2 -61.1 -41.9 36.2 3.8 10.6 25 25 A K H 3< S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.757 108.9 50.3 -64.6 -25.5 32.4 3.7 10.3 26 26 A K H 3< S+ 0 0 164 -4,-0.9 2,-0.2 -3,-0.5 -1,-0.2 0.557 89.6 102.7 -90.0 -8.7 32.2 1.5 13.4 27 27 A C << - 0 0 2 -3,-1.0 53,-0.2 -4,-0.8 3,-0.1 -0.550 66.4-143.4 -80.8 140.1 34.4 3.8 15.5 28 28 A D S S+ 0 0 90 51,-1.7 2,-0.4 -2,-0.2 52,-0.2 0.874 88.6 23.0 -65.9 -38.9 32.9 6.1 18.1 29 29 A Y E -c 80 0A 104 50,-1.3 52,-2.2 24,-0.0 2,-0.5 -0.984 68.3-160.0-132.7 142.5 35.4 8.8 17.4 30 30 A V E +c 81 0A 7 24,-0.4 26,-2.3 -2,-0.4 2,-0.2 -0.971 11.9 176.5-128.3 120.3 37.6 9.5 14.4 31 31 A F E +cd 82 56A 8 50,-3.1 52,-2.9 -2,-0.5 2,-0.3 -0.687 4.5 175.6-112.4 168.7 40.7 11.7 14.3 32 32 A A E -cd 83 57A 0 24,-1.5 26,-3.2 50,-0.3 2,-0.3 -0.977 21.3-147.2-164.7 165.1 43.2 12.4 11.6 33 33 A E + 0 0 0 50,-1.5 26,-0.1 -2,-0.3 24,-0.0 -0.989 10.5 178.8-140.5 137.1 46.3 14.4 10.6 34 34 A F + 0 0 60 24,-0.4 3,-0.2 -2,-0.3 5,-0.2 0.254 61.4 87.0-125.1 11.8 46.9 15.8 7.1 35 35 A Y S S+ 0 0 29 1,-0.2 135,-0.3 3,-0.1 3,-0.1 0.723 74.1 67.8 -85.9 -22.6 50.2 17.6 7.5 36 36 A T S S+ 0 0 26 1,-0.2 2,-0.3 134,-0.0 -1,-0.2 0.771 113.7 5.3 -70.5 -24.0 52.6 14.7 6.9 37 37 A S S S- 0 0 4 -3,-0.2 2,-0.4 230,-0.1 -1,-0.2 -0.990 74.6-109.4-160.1 148.6 51.8 14.3 3.2 38 38 A L - 0 0 21 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 -0.682 16.8-164.5 -87.3 128.6 49.7 16.0 0.5 39 39 A M > - 0 0 18 -2,-0.4 3,-1.0 -5,-0.2 -28,-0.2 -0.884 10.9-172.3-108.5 95.6 46.6 14.2 -0.8 40 40 A A T 3 S+ 0 0 41 -2,-0.8 -28,-0.1 -30,-0.4 -1,-0.1 0.621 71.9 51.6 -67.3 -17.8 46.0 16.1 -4.0 41 41 A G T 3 S+ 0 0 25 -30,-1.8 2,-0.3 -31,-0.1 -28,-0.3 0.274 105.5 42.6-108.1 15.5 42.6 14.7 -5.1 42 42 A T < - 0 0 22 -3,-1.0 2,-0.3 -31,-0.3 -3,-0.1 -0.920 56.4-147.5-149.9 174.6 40.5 15.0 -2.0 43 43 A T > - 0 0 80 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.850 39.4-100.9-137.6 172.1 39.4 17.2 0.9 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.878 122.2 57.7 -63.0 -36.4 38.3 16.8 4.6 45 45 A G H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.947 107.1 44.2 -59.1 -51.5 34.8 17.3 3.3 46 46 A R H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 114.9 49.5 -62.1 -38.9 34.9 14.4 0.8 47 47 A I H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.914 111.0 49.2 -67.3 -42.5 36.6 12.1 3.4 48 48 A Q H X>S+ 0 0 50 -4,-2.8 4,-2.8 1,-0.2 5,-1.1 0.897 111.3 50.2 -63.5 -39.7 34.0 13.0 6.0 49 49 A K H <5S+ 0 0 182 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.899 109.6 50.7 -65.5 -41.0 31.2 12.3 3.6 50 50 A L H <5S+ 0 0 56 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 119.5 36.0 -64.6 -39.8 32.7 8.9 2.6 51 51 A I H <5S- 0 0 6 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.785 99.7-136.3 -84.1 -29.8 33.0 7.8 6.3 52 52 A G T <5 + 0 0 61 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.832 68.8 98.2 76.8 32.8 29.8 9.5 7.4 53 53 A K S - 0 0 57 -2,-0.4 4,-2.2 -26,-0.1 5,-0.2 -0.354 35.8 -94.8 -88.0 173.7 47.7 19.5 14.2 60 60 A R H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.882 129.0 44.9 -58.1 -38.6 51.4 18.5 14.4 61 61 A E H >>S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 5,-1.4 0.902 107.1 58.1 -72.1 -41.2 51.5 19.7 18.0 62 62 A D H >5S+ 0 0 37 3,-0.2 4,-0.7 2,-0.2 8,-0.3 0.923 118.1 34.3 -51.6 -45.7 48.2 18.1 18.9 63 63 A V H X5S+ 0 0 4 -4,-2.2 4,-1.4 3,-0.2 5,-0.2 0.989 122.4 40.3 -73.4 -66.1 49.9 14.8 17.8 64 64 A E H <5S+ 0 0 77 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.807 132.6 23.3 -57.2 -34.8 53.5 15.1 18.8 65 65 A L H <5S+ 0 0 100 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.794 135.5 24.1-104.6 -34.9 52.8 16.7 22.1 66 66 A N H >XS+ 0 0 0 -4,-1.4 5,-1.7 1,-0.3 4,-1.6 0.923 86.2 48.8 -60.1 -42.7 48.3 12.6 21.4 68 68 A E H 345S+ 0 0 70 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.574 115.9 44.5 -74.3 -7.2 48.0 10.9 24.8 69 69 A N H <45S+ 0 0 96 -3,-1.1 -2,-0.2 -7,-0.3 -1,-0.2 0.715 123.9 30.2-104.8 -29.8 45.9 13.8 26.0 70 70 A I H <5S+ 0 0 33 -4,-2.7 4,-0.4 -8,-0.3 -3,-0.2 0.899 132.5 19.6 -94.9 -54.6 43.6 14.2 23.0 71 71 A V T >X5S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.4 3,-0.6 0.951 117.1 54.5 -84.9 -57.6 43.2 10.8 21.4 72 72 A L H 3>4 S+ 0 0 50 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.943 111.8 37.4 -51.0 -49.8 41.8 9.3 26.8 74 74 A L H X> S+ 0 0 56 -3,-0.6 4,-2.7 -4,-0.4 3,-1.2 0.848 109.0 64.1 -69.3 -34.5 38.8 8.5 24.6 75 75 A A H 3< S+ 0 0 0 -4,-1.9 -73,-0.3 1,-0.3 -1,-0.2 0.746 93.4 64.4 -61.4 -23.1 40.5 5.4 23.1 76 76 A K T << S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.814 115.5 26.5 -71.4 -29.3 40.5 3.9 26.6 77 77 A E T <4 S+ 0 0 155 -3,-1.2 -2,-0.2 -4,-0.5 2,-0.2 0.750 126.5 26.7-103.5 -31.1 36.7 3.8 26.7 78 78 A N S < S- 0 0 47 -4,-2.7 -76,-1.4 -76,-0.1 2,-0.7 -0.612 87.0 -85.2-125.5-177.0 35.7 3.5 23.1 79 79 A D E -a 2 0A 62 -2,-0.2 -51,-1.7 -78,-0.2 -50,-1.3 -0.850 52.0-175.8 -92.3 118.3 36.7 2.4 19.6 80 80 A V E -ac 3 29A 0 -78,-3.0 -76,-2.8 -2,-0.7 2,-0.4 -0.944 13.7-156.2-122.5 141.0 38.8 5.2 18.1 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.1 -2,-0.4 2,-0.5 -0.886 2.5-161.0-115.7 145.9 40.3 5.6 14.7 82 82 A F E -ac 5 31A 0 -78,-3.1 -76,-2.3 -2,-0.4 -50,-0.3 -0.965 15.9-157.6-126.9 111.4 43.3 7.8 13.7 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.5 -2,-0.5 -76,-0.2 -0.638 15.7 170.0 -93.4 146.9 43.5 8.5 9.9 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.7 -2,-0.3 -75,-0.4 -0.978 38.2 -93.7-149.4 156.0 46.6 9.5 8.0 85 85 A P S S- 0 0 1 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.308 90.9 -10.2 -67.7 159.3 47.6 9.9 4.3 86 86 A G B S-E 9 0B 0 -77,-4.7 -77,-1.1 -79,-0.1 -78,-0.4 -0.187 129.6 -7.3 53.1-139.1 49.3 6.9 2.6 87 87 A D > - 0 0 15 180,-3.4 3,-1.9 -80,-0.2 4,-0.3 -0.802 69.4-134.0 -93.9 129.3 50.3 4.1 5.0 88 88 A P G > S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.829 99.9 39.3 -49.2 -42.0 49.8 5.1 8.6 89 89 A L G 3 S+ 0 0 49 1,-0.2 6,-0.2 -84,-0.1 -3,-0.1 0.239 86.8 90.5-104.4 14.2 53.2 3.8 9.9 90 90 A V G < + 0 0 45 -3,-1.9 2,-0.5 177,-0.3 -1,-0.2 0.517 68.4 91.6 -86.8 -4.9 55.5 4.8 7.0 91 91 A A S X> S- 0 0 14 -3,-0.5 3,-1.8 -4,-0.3 4,-0.9 -0.821 85.4-128.4 -88.1 125.1 56.1 8.1 8.7 92 92 A T T 34 S+ 0 0 138 -2,-0.5 4,-0.3 1,-0.3 -1,-0.1 0.735 105.4 40.2 -43.7 -30.6 59.2 7.9 11.0 93 93 A T T 3> S+ 0 0 63 1,-0.1 4,-0.6 2,-0.1 3,-0.4 0.656 95.0 77.5-100.2 -16.0 57.3 9.2 14.0 94 94 A H H X> S+ 0 0 2 -3,-1.8 3,-1.2 1,-0.2 4,-0.6 0.879 87.1 61.7 -61.6 -39.4 53.9 7.5 13.7 95 95 A A H >X S+ 0 0 48 -4,-0.9 3,-1.7 1,-0.3 4,-0.7 0.894 94.5 61.7 -54.3 -42.2 55.2 4.2 15.0 96 96 A E H >> S+ 0 0 75 -3,-0.4 4,-1.5 -4,-0.3 3,-0.8 0.802 91.5 68.4 -56.9 -27.1 56.1 5.8 18.4 97 97 A L H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 3,-0.7 0.962 110.1 46.7 -63.6 -51.3 48.8 3.7 23.2 102 102 A K H ><5S+ 0 0 163 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.937 111.3 51.4 -55.1 -50.0 50.3 0.5 24.8 103 103 A R H 3<5S+ 0 0 202 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.715 107.5 54.0 -63.5 -21.8 51.5 2.5 27.8 104 104 A A T <<5S- 0 0 31 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.374 121.3-107.9 -92.6 4.3 48.1 4.0 28.3 105 105 A G T < 5S+ 0 0 54 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.724 76.3 136.0 80.1 19.5 46.5 0.5 28.3 106 106 A V < - 0 0 2 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.890 49.5-137.6-106.2 128.7 45.0 1.0 24.9 107 107 A E E -b 2 0A 101 -106,-2.1 -104,-3.0 -2,-0.5 2,-0.3 -0.592 24.7-164.2 -80.0 141.0 45.2 -1.8 22.3 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.959 13.3-170.4-132.7 151.1 46.0 -0.7 18.7 109 109 A Y E -b 4 0A 114 -106,-1.9 -104,-2.9 -2,-0.3 2,-0.5 -0.975 18.2-133.1-135.7 147.4 45.8 -2.2 15.2 110 110 A V E -b 5 0A 31 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.885 9.9-164.9-108.5 129.4 47.1 -1.0 11.9 111 111 A I E -b 6 0A 15 -106,-3.6 -104,-2.3 -2,-0.5 -94,-0.1 -0.949 21.5-147.0-111.9 110.7 45.1 -0.9 8.7 112 112 A H + 0 0 115 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.151 19.8 175.9 -72.7 168.7 47.5 -0.4 5.8 113 113 A A - 0 0 15 -97,-0.1 -97,-0.1 -107,-0.1 -105,-0.1 -0.945 46.4 -48.4-161.6 169.9 46.8 1.5 2.5 114 114 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -105,-0.3 -0.165 58.2-169.3 -49.7 138.2 48.7 2.5 -0.6 115 115 A S >> - 0 0 6 -29,-0.2 4,-2.7 1,-0.1 3,-0.6 -0.932 33.8-123.5-130.8 154.7 52.0 4.0 0.1 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.819 107.8 67.7 -68.2 -26.3 54.5 5.8 -2.1 117 117 A Y H 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 46,-0.0 0.857 114.7 26.1 -60.9 -37.2 57.2 3.3 -1.1 118 118 A S H X4 S+ 0 0 78 -3,-0.6 3,-2.2 1,-0.1 -2,-0.2 0.796 113.0 67.5 -94.0 -35.1 55.4 0.5 -2.9 119 119 A A H >< S+ 0 0 28 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.724 81.8 76.8 -58.1 -23.6 53.6 2.7 -5.5 120 120 A V G >< S+ 0 0 0 -4,-1.4 3,-2.1 1,-0.3 5,-0.5 0.639 72.2 85.1 -63.4 -11.5 57.0 3.6 -7.1 121 121 A G G X S+ 0 0 37 -3,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.765 73.2 72.9 -57.9 -23.4 56.7 0.1 -8.6 122 122 A I G < S+ 0 0 71 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.568 81.8 70.9 -72.5 -1.5 54.6 1.8 -11.3 123 123 A T G < S- 0 0 0 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.585 110.2-119.0 -87.3 -7.4 57.9 3.3 -12.6 124 124 A G S < S+ 0 0 15 -3,-1.8 2,-0.3 1,-0.3 125,-0.2 0.298 72.7 131.2 88.5 -11.5 59.0 -0.1 -13.9 125 125 A L S S- 0 0 4 -5,-0.5 2,-0.3 1,-0.1 -1,-0.3 -0.575 70.2-105.3 -76.3 137.2 62.0 -0.1 -11.6 126 126 A H > - 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