==== 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 13-MAY-04 1WDE . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR S.KISHISHITA,K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTUR . 289 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 6.6 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 . 1 0.3 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 2 0 0 0 2 2 2 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 3 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 . 2 0 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 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 6 A E 0 0 165 0, 0.0 3,-0.3 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 77.1 41.3 25.2 7.2 2 7 A A - 0 0 64 1,-0.2 76,-0.2 76,-0.1 106,-0.1 0.030 360.0 -57.8 -45.1 154.0 39.7 28.3 5.6 3 8 A V + 0 0 9 74,-0.3 105,-1.6 77,-0.1 2,-0.4 -0.084 68.0 176.1 -42.1 115.0 39.9 31.6 7.5 4 9 A T E -ab 80 108A 22 75,-3.1 77,-3.2 -3,-0.3 2,-0.5 -0.994 17.9-151.7-130.6 131.3 38.3 31.0 10.9 5 10 A L E -ab 81 109A 4 103,-2.8 105,-2.7 -2,-0.4 2,-0.6 -0.870 4.3-162.5-105.8 131.6 38.0 33.4 13.8 6 11 A L E -ab 82 110A 18 75,-3.1 77,-3.2 -2,-0.5 2,-0.9 -0.952 2.7-164.5-115.0 113.7 37.8 32.3 17.4 7 12 A L E -ab 83 111A 0 103,-2.6 105,-2.7 -2,-0.6 2,-0.5 -0.864 23.1-169.6 -96.9 102.8 36.5 34.9 19.9 8 13 A V E -ab 84 112A 0 75,-2.6 77,-2.4 -2,-0.9 2,-0.5 -0.841 21.4-149.8-107.4 124.4 37.5 33.3 23.2 9 14 A G E -a 85 0A 1 103,-2.6 9,-0.4 -2,-0.5 79,-0.2 -0.747 10.7-170.8 -86.0 127.7 36.6 34.3 26.7 10 15 A W - 0 0 1 75,-3.1 3,-0.3 -2,-0.5 6,-0.2 0.486 37.0-114.5 -97.9 -3.1 39.4 33.4 29.1 11 16 A G B -E 87 0B 0 76,-1.8 76,-1.6 74,-0.3 -1,-0.3 -0.170 33.6 -87.9 86.2 168.4 37.7 34.1 32.4 12 17 A Y S S+ 0 0 37 103,-0.3 -1,-0.2 74,-0.3 203,-0.1 0.359 100.9 26.7-103.4 10.1 38.9 36.8 34.7 13 18 A A S > S- 0 0 13 -3,-0.3 3,-1.9 201,-0.1 74,-0.1 -0.984 95.9 -76.1-159.1 159.2 41.6 35.1 36.8 14 19 A P T 3 S+ 0 0 83 0, 0.0 -2,-0.1 0, 0.0 30,-0.0 -0.341 117.8 30.3 -59.8 141.9 44.0 32.1 36.4 15 20 A G T 3 S+ 0 0 71 200,-0.1 -4,-0.1 -4,-0.1 -3,-0.0 0.343 94.5 95.7 92.0 -6.9 42.1 28.8 36.9 16 21 A X < + 0 0 43 -3,-1.9 99,-0.5 -6,-0.2 2,-0.3 0.188 53.5 115.7-102.2 19.6 38.9 30.2 35.5 17 22 A Q - 0 0 35 -6,-0.1 2,-0.2 97,-0.1 -7,-0.1 -0.648 62.3-129.2 -87.6 141.0 39.4 29.0 31.9 18 23 A T > - 0 0 54 -9,-0.4 4,-2.2 -2,-0.3 5,-0.2 -0.515 21.3-114.9 -85.6 160.7 37.0 26.4 30.4 19 24 A L H > S+ 0 0 144 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.926 116.1 50.6 -59.3 -45.0 38.4 23.2 28.8 20 25 A E H > S+ 0 0 108 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.850 109.4 50.8 -66.0 -30.5 37.1 24.2 25.4 21 26 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.932 111.9 46.5 -69.4 -45.4 38.7 27.6 25.6 22 27 A L H X S+ 0 0 42 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.968 116.4 46.7 -57.7 -51.2 42.0 26.0 26.5 23 28 A D H X S+ 0 0 60 -4,-3.2 4,-2.4 1,-0.2 3,-0.3 0.945 110.3 52.0 -55.0 -55.0 41.5 23.5 23.7 24 29 A A H X S+ 0 0 18 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.883 111.2 46.2 -50.1 -48.5 40.5 26.2 21.1 25 30 A V H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.9 51.6 -68.3 -30.3 43.5 28.4 21.8 26 31 A R H < S+ 0 0 125 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.865 112.3 46.4 -74.8 -33.3 45.9 25.4 21.6 27 32 A R H < S+ 0 0 186 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.568 93.2 98.3 -85.5 -10.0 44.4 24.4 18.3 28 33 A A < - 0 0 0 -4,-0.8 53,-0.2 -5,-0.2 3,-0.1 -0.256 68.2-141.7 -72.3 165.8 44.5 27.8 16.7 29 34 A D S S+ 0 0 81 51,-2.5 2,-0.3 1,-0.3 52,-0.2 0.743 87.1 24.7 -97.9 -30.9 47.4 28.8 14.4 30 35 A V E -c 81 0A 44 50,-1.6 52,-2.2 2,-0.0 2,-0.4 -0.978 67.0-160.5-134.1 145.9 47.6 32.4 15.7 31 36 A V E -cd 82 57A 0 25,-1.6 27,-2.3 -2,-0.3 2,-0.4 -0.895 3.6-171.3-135.0 105.2 46.6 33.9 19.1 32 37 A Y E -cd 83 58A 52 50,-3.2 52,-2.6 -2,-0.4 2,-0.4 -0.742 11.0-162.2 -90.7 141.1 46.0 37.6 19.6 33 38 A V E -cd 84 59A 0 25,-3.1 27,-2.7 -2,-0.4 2,-0.5 -0.991 5.8-167.8-129.9 124.7 45.5 38.6 23.2 34 39 A E E +c 85 0A 0 50,-2.3 52,-0.5 -2,-0.4 27,-0.1 -0.956 14.0 171.2-116.6 127.1 44.0 41.9 24.3 35 40 A S + 0 0 26 -2,-0.5 6,-0.4 25,-0.4 -1,-0.1 0.053 60.5 86.1-119.7 24.1 44.2 43.0 27.9 36 41 A Y S S+ 0 0 47 24,-0.2 -1,-0.1 1,-0.1 138,-0.1 0.661 77.0 62.7 -97.7 -20.8 42.8 46.5 27.5 37 42 A T S S+ 0 0 18 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.558 107.5 48.6 -80.6 -6.9 39.0 45.8 27.8 38 43 A X S > S- 0 0 38 49,-0.0 3,-0.8 3,-0.0 -1,-0.1 -0.986 82.1-129.4-138.6 126.4 39.6 44.6 31.3 39 44 A P T 3 S+ 0 0 16 0, 0.0 136,-0.1 0, 0.0 135,-0.1 -0.348 91.0 23.3 -71.4 153.0 41.5 46.2 34.3 40 45 A G T 3 S+ 0 0 47 134,-1.2 3,-0.5 1,-0.1 135,-0.1 0.779 80.0 136.9 64.3 27.7 44.1 44.2 36.2 41 46 A S X> + 0 0 9 -3,-0.8 3,-0.9 -6,-0.4 4,-0.5 -0.006 21.6 116.8 -96.0 30.2 44.5 41.8 33.2 42 47 A S H 3> S+ 0 0 113 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.858 72.1 59.5 -63.5 -34.9 48.3 41.6 33.4 43 48 A W H 3> S+ 0 0 51 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.713 87.5 80.8 -65.2 -23.1 48.1 37.9 34.1 44 49 A L H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.930 87.9 48.0 -51.4 -63.3 46.3 37.3 30.8 45 50 A Y H X S+ 0 0 99 -4,-0.5 4,-2.8 -3,-0.3 5,-0.3 0.926 114.9 46.8 -43.7 -59.2 49.2 37.3 28.4 46 51 A K H X S+ 0 0 140 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.883 112.4 50.1 -52.8 -45.4 51.2 34.9 30.6 47 52 A S H X S+ 0 0 16 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.869 113.8 44.7 -63.6 -40.0 48.2 32.6 31.1 48 53 A V H >X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 3,-1.6 0.989 111.7 51.0 -66.5 -60.4 47.5 32.4 27.3 49 54 A V H 3X>S+ 0 0 31 -4,-2.8 4,-2.2 1,-0.3 5,-0.9 0.838 107.8 56.1 -43.2 -40.3 51.1 31.9 26.3 50 55 A E H 3<5S+ 0 0 137 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.885 113.5 39.6 -61.9 -39.2 51.1 29.1 28.9 51 56 A A H <<5S+ 0 0 19 -3,-1.6 -2,-0.2 -4,-1.2 -1,-0.2 0.874 124.0 35.6 -79.7 -40.3 48.2 27.5 27.1 52 57 A A H <5S- 0 0 17 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.873 113.4 -98.2 -84.9 -44.4 49.2 28.1 23.5 53 58 A G T <5 - 0 0 43 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.597 40.2 -97.3 134.4 16.3 53.0 27.7 23.5 54 59 A E S - 0 0 49 -2,-0.4 4,-1.8 -27,-0.1 5,-0.2 -0.435 28.0-105.9 -93.3 171.8 46.0 46.9 21.1 62 67 A R H > S+ 0 0 102 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.957 119.9 48.7 -62.2 -53.4 42.7 48.7 20.9 63 68 A R H >>S+ 0 0 131 1,-0.2 5,-2.8 2,-0.2 4,-1.6 0.815 108.2 58.7 -58.4 -27.7 43.4 50.6 17.7 64 69 A D H 45S+ 0 0 50 3,-0.2 8,-0.3 1,-0.2 7,-0.3 0.935 115.8 32.2 -66.3 -45.1 44.6 47.2 16.2 65 70 A L H <5S+ 0 0 8 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.782 133.3 32.2 -83.1 -27.6 41.2 45.6 16.8 66 71 A E H <5S+ 0 0 83 -4,-3.4 3,-0.3 -5,-0.2 -3,-0.2 0.885 133.3 24.5 -94.9 -47.8 39.2 48.8 16.3 67 72 A E T <5S+ 0 0 112 -4,-1.6 3,-0.3 -5,-0.4 -3,-0.2 0.920 136.0 31.3 -83.1 -49.9 41.1 50.8 13.7 68 73 A R S >> + 0 0 11 1,-0.3 4,-1.3 -3,-0.3 -1,-0.2 0.682 61.3 74.7 -67.3 -15.5 40.3 45.3 12.6 70 75 A R H 34 S+ 0 0 165 -3,-0.3 5,-0.3 1,-0.2 -1,-0.3 0.724 94.4 51.0 -69.9 -19.9 40.5 44.6 8.8 71 76 A E H X4 S+ 0 0 107 -3,-1.7 3,-1.1 -7,-0.3 -1,-0.2 0.915 103.1 54.5 -82.4 -47.7 43.8 42.8 9.3 72 77 A I H 3< S+ 0 0 14 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.1 0.841 95.4 69.0 -55.5 -32.9 42.7 40.4 12.1 73 78 A V T 3< S- 0 0 11 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.1 0.112 89.2-169.6 -73.1 25.5 39.9 39.3 9.7 74 79 A S < + 0 0 29 -3,-1.1 5,-0.4 1,-0.2 2,-0.2 0.103 21.7 166.3 -26.1 84.4 43.0 37.9 8.0 75 80 A R + 0 0 156 -5,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.464 55.8 85.4-104.9 50.9 41.4 36.9 4.6 76 81 A A S S+ 0 0 73 -2,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 0.538 99.1 10.5-123.3 -55.3 44.8 36.5 3.0 77 82 A L S S- 0 0 135 -3,-0.1 -74,-0.3 2,-0.0 2,-0.3 -0.025 91.9-107.1-101.1-132.1 45.9 33.2 3.8 78 83 A D + 0 0 107 -76,-0.2 2,-0.3 -3,-0.1 -3,-0.1 -0.774 59.6 128.9-157.3 104.6 43.4 30.8 5.3 79 84 A A - 0 0 25 -5,-0.4 -75,-3.1 -2,-0.3 2,-0.7 -0.956 60.0 -91.1-155.6 174.9 43.8 30.0 8.9 80 85 A V E -a 4 0A 17 -2,-0.3 -51,-2.5 -77,-0.2 -50,-1.6 -0.830 42.1-176.7 -98.7 110.5 42.5 29.7 12.4 81 86 A V E -ac 5 30A 5 -77,-3.2 -75,-3.1 -2,-0.7 2,-0.4 -0.913 7.3-160.0-112.1 133.7 42.9 33.0 14.3 82 87 A A E -ac 6 31A 0 -52,-2.2 -50,-3.2 -2,-0.4 2,-0.5 -0.906 7.4-163.9-115.2 139.1 42.0 33.4 18.0 83 88 A V E -ac 7 32A 0 -77,-3.2 -75,-2.6 -2,-0.4 2,-0.5 -0.989 17.7-157.1-119.2 118.5 41.3 36.7 19.8 84 89 A V E -ac 8 33A 0 -52,-2.6 -50,-2.3 -2,-0.5 2,-0.3 -0.859 12.2-178.3-106.0 133.3 41.4 36.2 23.6 85 90 A T E -ac 9 34A 0 -77,-2.4 -75,-3.1 -2,-0.5 -74,-0.3 -0.934 32.9-115.2-124.6 144.0 39.7 38.4 26.1 86 91 A A S S+ 0 0 3 -52,-0.5 2,-0.3 -2,-0.3 -74,-0.3 -0.544 96.2 3.6 -70.7 147.9 39.7 38.2 29.9 87 92 A G B S-E 11 0B 1 -76,-1.6 -76,-1.8 28,-0.2 29,-0.2 -0.601 127.7 -28.6 78.7-133.3 36.1 37.5 30.9 88 93 A D > - 0 0 10 -2,-0.3 3,-1.6 3,-0.3 -2,-0.1 -0.987 49.6-136.2-125.0 133.0 33.8 37.0 28.0 89 94 A P T 3 S+ 0 0 0 0, 0.0 6,-0.5 0, 0.0 7,-0.2 0.712 103.9 50.9 -60.7 -20.6 34.3 38.6 24.6 90 95 A X T 3 S+ 0 0 75 5,-0.1 2,-0.8 2,-0.1 3,-0.2 0.482 92.0 88.2 -96.7 -1.8 30.6 39.6 24.3 91 96 A V S < S- 0 0 48 -3,-1.6 -3,-0.3 1,-0.2 27,-0.1 -0.835 110.3 -25.3-105.0 107.0 30.3 41.2 27.7 92 97 A A S S+ 0 0 57 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.904 112.3 92.3 64.8 44.9 31.2 44.9 27.8 93 98 A T S S- 0 0 27 -3,-0.2 3,-0.3 -4,-0.1 -1,-0.2 -0.917 76.8-122.9-151.9 167.5 33.5 45.1 24.8 94 99 A T S >> S+ 0 0 79 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.135 72.1 119.0-105.3 22.9 32.9 45.9 21.1 95 100 A H H 3> + 0 0 5 -6,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.603 58.1 77.4 -62.4 -12.2 34.3 42.7 19.8 96 101 A S H 3> S+ 0 0 67 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.795 89.6 58.4 -67.4 -25.2 30.9 41.8 18.2 97 102 A S H <> S+ 0 0 70 -3,-2.0 4,-2.4 2,-0.2 5,-0.3 0.903 103.5 50.9 -69.1 -39.9 31.9 44.3 15.5 98 103 A L H X S+ 0 0 4 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.947 111.2 48.2 -61.2 -47.1 35.0 42.2 14.7 99 104 A A H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.857 111.1 52.1 -61.1 -36.3 32.8 39.1 14.5 100 105 A A H X S+ 0 0 47 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.919 110.4 44.5 -68.7 -47.0 30.3 40.9 12.2 101 106 A E H X S+ 0 0 61 -4,-2.4 4,-2.0 2,-0.2 6,-0.2 0.888 114.2 52.0 -65.3 -35.8 32.8 42.2 9.7 102 107 A A H <>S+ 0 0 0 -4,-2.2 5,-1.5 -5,-0.3 3,-0.3 0.974 110.5 47.3 -61.9 -53.8 34.5 38.7 9.7 103 108 A L H ><5S+ 0 0 106 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.911 114.7 46.4 -53.2 -46.0 31.1 37.0 9.1 104 109 A E H 3<5S+ 0 0 178 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.783 107.7 58.0 -68.7 -27.4 30.4 39.5 6.3 105 110 A A T 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.179 124.9-101.7 -87.4 15.8 33.9 39.0 4.9 106 111 A G T < 5S+ 0 0 53 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.142 78.1 135.9 88.5 -20.6 33.2 35.3 4.5 107 112 A V < - 0 0 5 -5,-1.5 2,-0.3 -6,-0.2 -1,-0.2 -0.343 56.5-121.9 -66.0 138.1 35.1 34.1 7.6 108 113 A A E -b 4 0A 51 -105,-1.6 -103,-2.8 -2,-0.1 2,-0.5 -0.635 29.3-153.0 -79.1 135.2 33.5 31.5 9.9 109 114 A V E -b 5 0A 33 -2,-0.3 2,-0.5 -105,-0.2 -103,-0.2 -0.946 13.2-171.6-119.1 128.6 33.2 32.8 13.5 110 115 A R E -b 6 0A 163 -105,-2.7 -103,-2.6 -2,-0.5 2,-0.7 -0.965 11.0-153.9-116.5 128.2 33.1 30.8 16.7 111 116 A Y E -b 7 0A 101 -2,-0.5 -103,-0.2 -105,-0.2 -105,-0.1 -0.898 9.2-168.7-103.0 111.3 32.2 32.4 20.0 112 117 A I E -b 8 0A 24 -105,-2.7 -103,-2.6 -2,-0.7 -2,-0.0 -0.890 21.2-134.4-100.5 111.8 33.8 30.5 22.9 113 118 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -95,-0.2 -0.250 21.3-170.8 -69.4 153.1 32.2 31.8 26.1 114 119 A G - 0 0 8 -106,-0.1 2,-0.5 -97,-0.1 -104,-0.2 -0.926 36.4 -94.3-133.5 159.2 34.2 32.7 29.3 115 120 A V - 0 0 45 -99,-0.5 -103,-0.3 -2,-0.3 2,-0.3 -0.646 45.5-147.9 -74.1 122.3 33.1 33.6 32.8 116 121 A S > - 0 0 5 -2,-0.5 4,-2.2 -29,-0.2 5,-0.2 -0.659 16.9-129.5 -93.4 151.3 32.9 37.4 32.9 117 122 A G H > S+ 0 0 17 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.805 109.2 60.8 -64.0 -28.3 33.7 39.3 36.1 118 123 A V H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 106.9 43.5 -63.3 -48.3 30.4 41.2 35.6 119 124 A Q H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.915 115.1 48.8 -63.8 -44.5 28.4 38.0 35.8 120 125 A A H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.7 50.4 -63.7 -38.6 30.4 36.7 38.8 121 126 A A H X S+ 0 0 1 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.959 111.6 46.3 -65.1 -51.1 30.0 40.1 40.5 122 127 A R H >X>S+ 0 0 58 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.937 114.0 51.2 -55.8 -44.3 26.2 40.2 40.0 123 128 A G H ><5S+ 0 0 49 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.883 103.3 57.0 -61.9 -39.0 26.1 36.6 41.2 124 129 A A H 3<5S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 99.8 58.7 -64.2 -28.3 28.1 37.3 44.4 125 130 A T H <<5S- 0 0 0 -4,-1.3 134,-0.3 -3,-0.7 -1,-0.2 0.710 97.2-143.9 -69.8 -23.0 25.5 40.0 45.5 126 131 A X T <<5 + 0 0 81 -3,-1.0 -3,-0.1 -4,-0.7 130,-0.1 0.579 46.3 148.0 65.2 16.7 22.9 37.2 45.4 127 132 A L < - 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