==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-99 1DKU . COMPND 2 MOLECULE: PROTEIN (PHOSPHORIBOSYL PYROPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR T.A.ERIKSEN,A.KADZIOLA,A.-K.BENTSEN,K.W.HARLOW,S.LARSEN . 590 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 55 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.1 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 2 0 0 2 1 3 5 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 9 6 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 . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 2 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 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 8 A N 0 0 118 0, 0.0 49,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -15.3 8.1 75.8 25.2 2 9 A L E +a 50 0A 36 47,-0.2 2,-0.4 49,-0.0 49,-0.2 -0.890 360.0 178.0 -97.4 124.2 11.5 75.5 27.0 3 10 A K E -a 51 0A 57 47,-2.3 49,-2.4 -2,-0.5 2,-0.5 -0.983 11.5-162.0-128.6 133.8 12.6 78.5 29.1 4 11 A I E -a 52 0A 0 20,-0.4 22,-3.4 -2,-0.4 2,-0.4 -0.931 7.7-168.9-117.3 129.9 15.8 78.8 31.1 5 12 A F E -a 53 0A 0 47,-3.0 49,-2.7 -2,-0.5 2,-0.4 -0.928 7.9-153.5-117.6 145.1 16.2 81.5 33.8 6 13 A S E -a 54 0A 22 -2,-0.4 49,-0.1 20,-0.3 2,-0.1 -0.910 7.7-163.0-113.1 139.2 19.3 82.4 35.6 7 14 A L - 0 0 3 47,-1.8 3,-0.2 -2,-0.4 7,-0.1 -0.262 43.7 -79.0 -98.9-155.1 19.2 83.9 39.1 8 15 A N S S+ 0 0 76 1,-0.2 47,-0.1 -2,-0.1 56,-0.1 0.694 106.1 78.7 -85.4 -15.6 22.1 85.7 40.6 9 16 A S S S+ 0 0 7 1,-0.2 255,-0.3 45,-0.1 -1,-0.2 0.906 112.2 3.6 -61.8 -48.1 24.5 83.0 41.8 10 17 A N > + 0 0 6 44,-0.3 4,-2.1 -3,-0.2 -1,-0.2 -0.484 62.8 164.0-143.0 70.4 26.2 82.0 38.6 11 18 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 79.1 55.2 -54.5 -42.3 25.2 84.1 35.6 12 19 A E H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.951 108.4 45.7 -57.8 -53.2 28.1 83.0 33.5 13 20 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 112.8 52.6 -57.7 -39.9 27.4 79.3 33.9 14 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.908 110.0 46.4 -62.4 -46.6 23.8 79.9 33.1 15 22 A K H X S+ 0 0 111 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.866 111.0 53.6 -64.6 -38.6 24.5 81.8 29.9 16 23 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.937 109.6 47.9 -61.0 -46.7 27.0 79.1 28.8 17 24 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.933 111.2 50.0 -60.8 -46.5 24.3 76.4 29.3 18 25 A A H X>S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-2.1 0.857 107.8 54.1 -63.6 -35.4 21.7 78.4 27.4 19 26 A D H <5S+ 0 0 90 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.955 110.4 46.3 -64.8 -44.2 24.2 78.9 24.5 20 27 A I H <5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.946 116.6 43.8 -63.3 -46.1 24.7 75.2 24.3 21 28 A V H <5S- 0 0 28 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.787 112.9-125.6 -68.3 -26.6 21.0 74.4 24.5 22 29 A G T <5 + 0 0 60 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.882 65.5 115.4 85.1 44.2 20.4 77.3 22.0 23 30 A V < - 0 0 40 -5,-2.1 2,-0.4 3,-0.0 -1,-0.3 -0.899 66.3-113.6-136.3 160.5 17.9 79.5 23.8 24 31 A Q - 0 0 136 -2,-0.3 -20,-0.4 1,-0.1 3,-0.1 -0.835 47.3 -99.3 -95.4 138.4 18.1 83.1 25.0 25 32 A L - 0 0 44 -2,-0.4 -20,-0.2 1,-0.1 -1,-0.1 -0.310 52.2 -93.2 -53.6 141.4 17.9 83.2 28.8 26 33 A G - 0 0 11 -22,-3.4 2,-0.9 1,-0.1 -20,-0.3 -0.163 39.1-102.2 -60.9 151.4 14.3 84.1 29.9 27 34 A K + 0 0 103 -3,-0.1 16,-1.8 -22,-0.1 17,-0.8 -0.609 69.4 111.6 -82.1 105.4 13.3 87.6 30.6 28 35 A C E -E 42 0B 27 -2,-0.9 2,-0.4 14,-0.3 14,-0.3 -0.969 46.9-144.0-163.6 152.9 13.1 88.5 34.3 29 36 A S E -E 41 0B 44 12,-2.8 12,-3.1 -2,-0.3 2,-0.6 -0.982 4.7-163.1-128.0 135.6 15.0 90.6 36.8 30 37 A V E +E 40 0B 16 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.984 31.6 151.9-116.6 110.6 15.6 89.7 40.3 31 38 A T E -E 39 0B 55 8,-2.1 8,-3.0 -2,-0.6 2,-0.3 -0.673 41.8-102.2-129.3-176.0 16.6 92.7 42.2 32 39 A R E -E 38 0B 84 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.892 23.3-130.4-113.4 142.6 16.3 94.1 45.8 33 40 A F > - 0 0 102 4,-2.6 3,-2.1 -2,-0.3 6,-0.1 -0.435 47.3 -90.6 -79.3 167.6 13.9 96.7 47.2 34 41 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.817 126.7 54.1 -49.8 -33.5 15.5 99.5 49.1 35 42 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.399 121.8 -96.7 -86.8 0.1 15.2 97.4 52.3 36 43 A G S < S+ 0 0 43 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.354 79.3 132.1 105.6 -7.2 16.8 94.2 51.3 37 44 A E - 0 0 122 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.549 62.0-103.5 -82.4 144.1 13.8 92.2 50.3 38 45 A V E -E 32 0B 26 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.374 31.2-166.7 -70.5 137.5 13.7 90.3 47.0 39 46 A Q E -E 31 0B 72 -8,-3.0 -8,-2.1 -2,-0.1 2,-0.5 -0.987 5.3-164.5-122.0 132.0 11.7 91.7 44.2 40 47 A I E -E 30 0B 41 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.954 8.9-177.1-128.1 115.4 11.1 89.5 41.2 41 48 A N E -E 29 0B 81 -12,-3.1 -12,-2.8 -2,-0.5 2,-0.8 -0.948 7.1-166.7-112.7 115.7 9.9 90.7 37.8 42 49 A I E -E 28 0B 34 -2,-0.6 -14,-0.3 -14,-0.3 4,-0.1 -0.869 6.6-164.1 -98.4 108.3 9.2 88.1 35.1 43 50 A E + 0 0 87 -16,-1.8 2,-0.3 -2,-0.8 -15,-0.2 0.632 63.8 50.4 -73.5 -14.9 8.9 90.1 31.9 44 51 A E S S- 0 0 51 -17,-0.8 2,-0.3 2,-0.0 -18,-0.0 -0.893 87.6-103.7-125.3 157.1 7.2 87.5 29.7 45 52 A S - 0 0 98 -2,-0.3 -2,-0.1 1,-0.1 33,-0.0 -0.635 32.5-179.6 -77.3 133.4 4.2 85.2 30.1 46 53 A I > + 0 0 3 32,-0.3 3,-2.2 -2,-0.3 35,-0.3 0.015 21.2 150.7-121.5 21.1 5.3 81.6 30.8 47 54 A R T 3 S+ 0 0 176 1,-0.3 33,-0.2 33,-0.1 32,-0.1 -0.353 75.9 4.9 -57.0 129.0 2.0 79.9 31.0 48 55 A G T 3 S+ 0 0 35 31,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.493 101.4 128.5 75.5 0.8 2.4 76.2 30.0 49 56 A C < - 0 0 13 -3,-2.2 32,-3.1 30,-0.1 33,-1.2 -0.558 63.1-121.6 -91.8 158.1 6.1 76.4 29.6 50 57 A D E -ab 2 82A 14 -49,-2.6 -47,-2.3 31,-0.2 2,-0.4 -0.891 35.9-159.3 -95.9 113.7 8.7 74.1 31.1 51 58 A C E -ab 3 83A 0 31,-1.9 33,-3.7 -2,-0.7 2,-0.4 -0.835 13.1-168.0-103.2 138.0 11.0 76.4 33.2 52 59 A Y E -ab 4 84A 5 -49,-2.4 -47,-3.0 -2,-0.4 2,-0.5 -0.974 7.5-160.5-121.0 130.2 14.5 75.5 34.3 53 60 A I E -ab 5 85A 0 31,-2.6 33,-3.0 -2,-0.4 2,-0.6 -0.963 5.5-151.1-113.3 133.1 16.1 77.8 36.9 54 61 A I E +ab 6 86A 3 -49,-2.7 -47,-1.8 -2,-0.5 2,-0.3 -0.916 33.6 144.1-106.8 115.3 19.8 77.8 37.2 55 62 A Q - 0 0 1 31,-2.3 2,-0.4 -2,-0.6 34,-0.2 -0.929 34.4-157.7-154.8 125.9 21.0 78.6 40.7 56 63 A S - 0 0 1 -2,-0.3 2,-1.1 31,-0.2 34,-0.2 -0.828 23.2-136.8 -94.3 139.1 23.9 77.5 42.9 57 64 A T + 0 0 1 32,-2.8 2,-0.2 -2,-0.4 4,-0.1 -0.458 59.0 132.1 -97.0 62.0 23.2 78.0 46.6 58 65 A S + 0 0 12 -2,-1.1 6,-0.3 1,-0.2 5,-0.1 -0.453 50.2 1.0 -99.1 179.7 26.6 79.4 47.2 59 66 A D S S+ 0 0 139 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.1 -0.088 131.4 30.9 -51.5 126.7 27.8 82.5 49.1 60 67 A P S >> S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.318 88.0 178.5 -83.3 115.5 25.8 84.3 50.3 61 68 A V H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 72.7 51.5 -53.8 -44.6 23.9 81.1 50.7 62 69 A N H 3> S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.790 110.4 50.2 -67.9 -25.4 20.8 82.3 52.5 63 70 A E H <> S+ 0 0 85 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.918 111.9 46.3 -78.1 -42.2 20.2 85.0 49.9 64 71 A H H X S+ 0 0 17 -4,-1.8 4,-1.6 -6,-0.3 -2,-0.2 0.850 111.6 53.3 -67.2 -33.0 20.5 82.7 47.0 65 72 A I H X S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.938 111.3 45.5 -67.5 -45.7 18.2 80.2 48.7 66 73 A M H X S+ 0 0 92 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.923 111.7 49.0 -67.0 -43.3 15.5 82.8 49.2 67 74 A E H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.882 111.9 51.6 -67.6 -26.5 15.6 84.3 45.8 68 75 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.946 112.3 44.8 -68.4 -48.7 15.4 80.8 44.4 69 76 A L H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.873 113.3 50.5 -62.5 -40.3 12.3 79.9 46.6 70 77 A I H X S+ 0 0 58 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.907 110.0 50.5 -67.2 -38.5 10.7 83.2 45.7 71 78 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.945 107.7 53.0 -64.2 -46.2 11.2 82.6 42.0 72 79 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.949 108.9 50.9 -52.8 -46.8 9.7 79.1 42.3 73 80 A D H X S+ 0 0 54 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.870 108.5 51.0 -59.2 -41.2 6.7 80.7 43.9 74 81 A A H X S+ 0 0 27 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.940 112.3 46.4 -61.9 -46.1 6.4 83.3 41.1 75 82 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.5 0.916 110.5 53.1 -63.1 -42.5 6.5 80.6 38.4 76 83 A K H ><5S+ 0 0 94 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.935 113.5 42.4 -59.9 -47.0 4.0 78.4 40.2 77 84 A R H 3<5S+ 0 0 172 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.650 109.7 57.8 -77.7 -12.2 1.5 81.2 40.5 78 85 A A T 3<5S- 0 0 36 -4,-1.1 -32,-0.3 -3,-0.5 -1,-0.3 0.263 119.4-109.2 -95.7 6.0 2.1 82.3 37.0 79 86 A S T < 5 + 0 0 55 -3,-1.4 -31,-2.4 1,-0.2 -3,-0.2 0.731 48.0 177.1 73.4 30.7 1.2 78.8 35.7 80 87 A A < - 0 0 17 -5,-2.2 -30,-0.2 -33,-0.2 -1,-0.2 -0.292 30.4-135.2 -56.6 149.4 4.5 77.3 34.6 81 88 A K S S- 0 0 130 -32,-3.1 2,-0.3 -35,-0.3 -31,-0.2 0.919 84.5 -0.8 -76.9 -47.5 3.9 73.7 33.4 82 89 A T E -b 50 0A 29 -33,-1.2 -31,-1.9 2,-0.0 2,-0.4 -0.935 62.8-148.5-137.0 158.6 6.9 72.4 35.3 83 90 A I E -b 51 0A 6 -2,-0.3 37,-2.8 -33,-0.2 38,-1.1 -0.897 20.5-170.0-131.9 104.2 9.5 74.1 37.4 84 91 A N E -bc 52 121A 3 -33,-3.7 -31,-2.6 -2,-0.4 2,-0.6 -0.860 9.0-150.2-104.3 123.3 12.9 72.4 37.1 85 92 A I E -bc 53 122A 0 36,-2.8 38,-2.4 -2,-0.5 2,-0.7 -0.788 6.2-165.7 -97.5 121.7 15.7 73.3 39.4 86 93 A V E -bc 54 123A 0 -33,-3.0 -31,-2.3 -2,-0.6 38,-0.2 -0.912 11.7-177.9-104.4 110.6 19.3 73.0 38.2 87 94 A I E + c 0 124A 0 36,-3.0 38,-1.1 -2,-0.7 -31,-0.2 -0.894 13.5 178.2-114.1 97.4 21.6 73.3 41.3 88 95 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 -32,-0.1 0.824 82.0 24.5 -66.8 -33.4 25.3 73.1 40.4 89 96 A Y S S- 0 0 17 -34,-0.2 -32,-2.8 173,-0.2 2,-0.9 -0.976 74.3-152.2-135.8 124.3 26.2 73.5 44.1 90 97 A Y > - 0 0 5 -2,-0.4 3,-1.3 35,-0.3 38,-0.2 -0.806 16.6-148.7 -99.3 97.2 23.9 72.6 46.9 91 98 A G T 3 S+ 0 0 2 -2,-0.9 -33,-0.1 1,-0.2 19,-0.1 -0.209 80.6 29.5 -59.9 157.2 24.6 74.7 49.9 92 99 A Y T > S+ 0 0 81 1,-0.1 3,-1.5 -35,-0.1 15,-0.5 0.478 78.8 128.8 69.8 5.4 24.0 73.2 53.3 93 100 A A T < + 0 0 3 -3,-1.3 3,-0.1 1,-0.3 -2,-0.1 0.627 63.5 64.1 -65.8 -14.2 24.8 69.8 51.9 94 101 A R T 3 S+ 0 0 113 1,-0.2 2,-1.3 34,-0.1 -1,-0.3 0.668 86.8 70.3 -81.8 -19.5 27.3 69.2 54.7 95 102 A Q < + 0 0 49 -3,-1.5 12,-2.1 1,-0.2 13,-0.4 -0.620 61.2 136.9 -96.0 72.6 24.6 69.3 57.4 96 103 A D + 0 0 1 -2,-1.3 336,-0.4 11,-0.1 2,-0.3 0.195 67.4 1.8-104.3 9.2 23.2 65.9 56.2 97 104 A R S S- 0 0 68 7,-0.2 2,-1.2 -3,-0.1 3,-0.1 -0.975 88.4 -75.5-176.3 175.5 22.6 64.4 59.6 98 105 A K + 0 0 79 330,-0.3 3,-0.1 -2,-0.3 342,-0.1 -0.789 45.1 168.8 -92.8 98.6 22.8 65.0 63.4 99 106 A A S S+ 0 0 69 -2,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.552 74.5 5.0 -81.2 -16.8 26.6 64.7 64.0 100 107 A R S > S- 0 0 155 -3,-0.1 3,-0.7 0, 0.0 -1,-0.2 -0.934 105.4 -57.2-159.0 162.7 26.0 66.0 67.5 101 108 A S T 3 S+ 0 0 22 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 0.025 106.6 5.8 -53.8 146.0 23.0 66.9 69.6 102 109 A R T 3 S+ 0 0 184 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.0 0.720 87.5 145.4 56.7 30.9 20.2 69.4 68.8 103 110 A E < - 0 0 43 -3,-0.7 -1,-0.2 1,-0.1 2,-0.1 -0.603 48.2-123.2 -96.9 151.4 21.5 70.1 65.4 104 111 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.468 12.2-133.2 -85.1 163.6 19.2 70.8 62.4 105 112 A I >> + 0 0 32 1,-0.1 4,-1.7 -2,-0.1 3,-0.9 -0.755 34.2 175.1-112.3 76.7 19.5 68.7 59.3 106 113 A T H 3> + 0 0 25 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.804 69.6 61.5 -56.0 -38.0 19.5 71.7 56.9 107 114 A A H 3> S+ 0 0 0 -12,-2.1 4,-1.6 -15,-0.5 -1,-0.3 0.898 109.2 45.5 -59.6 -33.9 20.1 69.8 53.7 108 115 A K H <> S+ 0 0 8 -3,-0.9 4,-2.7 -13,-0.4 -2,-0.2 0.909 110.1 52.3 -75.0 -42.0 16.8 68.1 54.4 109 116 A L H X S+ 0 0 91 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.910 107.5 53.0 -60.3 -42.4 15.0 71.3 55.3 110 117 A F H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.945 109.2 49.5 -57.6 -47.2 16.1 72.9 52.1 111 118 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.934 111.2 48.5 -57.3 -48.7 14.7 70.0 50.2 112 119 A N H X S+ 0 0 40 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.904 112.3 50.6 -60.0 -38.3 11.4 70.3 52.1 113 120 A L H X S+ 0 0 63 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.942 107.4 51.9 -65.2 -45.6 11.3 74.0 51.4 114 121 A L H X>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-1.1 0.881 112.4 45.5 -59.2 -41.5 11.9 73.6 47.6 115 122 A E H <5S+ 0 0 56 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.859 112.0 51.6 -70.4 -36.2 9.1 71.1 47.3 116 123 A T H <5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.908 106.3 54.6 -66.9 -41.9 6.8 73.3 49.4 117 124 A A H <5S- 0 0 16 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.792 129.2 -95.5 -62.6 -29.9 7.6 76.2 47.2 118 125 A G T <5 + 0 0 20 -4,-1.1 -3,-0.2 -5,-0.2 -35,-0.1 0.563 60.2 166.3 127.5 13.7 6.5 74.2 44.1 119 126 A A < - 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