==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-11 3R7A . COMPND 2 MOLECULE: PHOSPHOGLYCERATE MUTASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.CHANG,G.CHHOR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 455 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.1 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 . 2 0.4 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 0 1 1 0 0 3 3 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 6 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A R > 0 0 210 0, 0.0 3,-1.1 0, 0.0 250,-0.1 0.000 360.0 360.0 360.0 -27.6 -14.4 13.0 7.8 2 5 A E T 3 + 0 0 192 1,-0.2 3,-0.3 2,-0.1 4,-0.1 0.104 360.0 93.1 -72.2 23.8 -16.3 11.3 10.8 3 6 A T T > + 0 0 34 1,-0.2 3,-2.0 2,-0.1 205,-0.4 0.636 47.5 101.3 -97.1 -15.0 -14.1 13.6 12.8 4 7 A D T < S+ 0 0 39 -3,-1.1 -1,-0.2 1,-0.3 204,-0.1 0.747 88.4 36.7 -49.6 -41.2 -16.6 16.5 13.1 5 8 A S T 3 S+ 0 0 69 -3,-0.3 -1,-0.3 202,-0.1 -2,-0.1 0.565 89.3 119.6 -88.5 -11.9 -17.8 15.8 16.6 6 9 A N < - 0 0 40 -3,-2.0 202,-0.6 -4,-0.1 2,-0.5 -0.261 54.5-143.1 -60.7 138.1 -14.5 14.6 18.0 7 10 A V E -A 207 0A 60 160,-0.4 162,-2.3 200,-0.1 2,-0.4 -0.910 13.7-170.0-102.7 131.4 -13.0 16.6 20.9 8 11 A V E -Ab 206 169A 0 198,-2.7 198,-3.1 -2,-0.5 2,-0.5 -0.966 5.8-159.9-115.3 131.5 -9.2 17.1 21.2 9 12 A T E -Ab 205 170A 15 160,-2.4 162,-3.0 -2,-0.4 2,-0.6 -0.958 5.4-157.3-115.5 115.4 -7.8 18.6 24.4 10 13 A L E -Ab 204 171A 0 194,-3.5 194,-2.7 -2,-0.5 2,-1.0 -0.825 6.3-159.0 -92.4 120.7 -4.3 20.2 24.1 11 14 A Y E -Ab 203 172A 10 160,-2.9 162,-2.6 -2,-0.6 2,-0.9 -0.843 16.6-164.3 -97.1 88.8 -2.3 20.4 27.4 12 15 A V E -Ab 202 173A 0 190,-2.5 190,-2.7 -2,-1.0 2,-0.4 -0.715 14.4-173.4 -87.2 108.2 -0.0 23.2 26.1 13 16 A T E -Ab 201 174A 0 160,-3.2 162,-3.1 -2,-0.9 2,-0.4 -0.863 25.2-135.0-117.1 131.0 2.7 23.1 28.7 14 17 A R E - b 0 175A 41 186,-2.2 185,-1.6 -2,-0.4 162,-0.2 -0.713 36.8-114.5 -81.8 138.1 5.7 25.3 29.2 15 18 A H - 0 0 3 160,-2.1 184,-0.9 -2,-0.4 185,-0.2 -0.038 41.9 -80.4 -63.4 174.2 8.9 23.3 29.8 16 19 A G - 0 0 1 48,-0.5 2,-0.3 182,-0.2 -1,-0.1 -0.186 59.0 -73.2 -76.2 169.7 10.7 23.4 33.2 17 20 A K - 0 0 94 21,-0.1 18,-2.1 181,-0.1 21,-0.3 -0.447 56.2-165.5 -71.6 123.1 13.2 26.0 34.4 18 21 A T B > -G 34 0B 0 16,-0.3 4,-2.7 -2,-0.3 16,-0.3 -0.406 35.6 -95.9-100.0 177.8 16.6 25.9 32.6 19 22 A I H > S+ 0 0 71 14,-2.0 4,-2.2 2,-0.2 5,-0.1 0.939 125.3 45.3 -55.2 -55.1 20.0 27.3 33.1 20 23 A L H 4>S+ 0 0 28 2,-0.2 5,-2.6 1,-0.2 -1,-0.2 0.874 112.3 51.8 -63.3 -35.9 19.4 30.2 30.7 21 24 A N H >45S+ 0 0 32 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 0.941 111.8 47.6 -61.7 -47.5 16.0 30.9 32.3 22 25 A T H 3<5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.831 112.3 48.8 -60.9 -35.1 17.7 30.9 35.8 23 26 A N T 3<5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.249 114.4-117.8 -93.8 11.4 20.4 33.3 34.5 24 27 A H T < 5 + 0 0 133 -3,-1.4 78,-2.8 1,-0.2 79,-0.4 0.873 63.6 144.0 58.1 46.7 17.8 35.6 32.9 25 28 A R B < -H 101 0C 83 -5,-2.6 76,-0.3 76,-0.3 -1,-0.2 -0.863 59.4 -93.9-118.2 152.3 19.0 35.2 29.3 26 29 A A - 0 0 1 74,-3.2 73,-2.5 71,-0.4 2,-0.4 -0.419 43.0-179.6 -66.8 130.1 17.0 35.1 26.0 27 30 A Q + 0 0 10 71,-0.2 65,-0.1 -2,-0.2 -1,-0.1 -0.835 29.2 122.7-137.9 92.6 16.3 31.5 25.2 28 31 A G S S- 0 0 0 -2,-0.4 63,-0.5 63,-0.1 65,-0.2 0.632 94.4 -3.8-114.3 -87.9 14.4 31.0 22.0 29 32 A W S S+ 0 0 104 63,-0.2 64,-0.1 61,-0.1 -2,-0.1 0.709 124.3 85.5 -81.0 -21.7 16.1 28.8 19.5 30 33 A A - 0 0 28 32,-0.1 2,-0.3 -4,-0.0 69,-0.0 -0.345 69.4-171.0 -65.5 159.6 19.0 28.7 22.0 31 34 A D + 0 0 64 -4,-0.1 -3,-0.1 32,-0.1 -2,-0.1 -0.955 18.9 178.3-150.8 161.6 18.5 26.0 24.6 32 35 A S - 0 0 12 -2,-0.3 32,-0.1 -5,-0.1 -11,-0.1 -0.956 35.3 -92.4-164.0 159.7 19.9 24.7 27.9 33 36 A P - 0 0 70 0, 0.0 -14,-2.0 0, 0.0 -13,-0.2 -0.321 47.5 -87.2 -78.7 162.8 19.0 21.9 30.3 34 37 A L B -G 18 0B 15 -16,-0.3 -16,-0.3 29,-0.1 2,-0.1 -0.366 37.2-129.6 -57.5 140.0 16.8 22.0 33.4 35 38 A V > - 0 0 37 -18,-2.1 4,-2.2 -2,-0.1 3,-0.3 -0.459 35.5 -97.6 -79.3 162.9 18.3 23.1 36.6 36 39 A E H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.892 126.8 51.9 -55.6 -38.5 17.6 20.8 39.6 37 40 A K H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 109.5 51.0 -63.7 -37.8 14.8 23.0 40.8 38 41 A G H > S+ 0 0 2 -21,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.857 108.5 50.8 -63.7 -40.4 13.3 22.8 37.3 39 42 A V H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.917 108.9 52.3 -61.5 -44.5 13.6 19.0 37.4 40 43 A E H X S+ 0 0 104 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 112.6 43.6 -57.9 -50.0 11.8 18.9 40.8 41 44 A V H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.881 112.6 51.7 -63.9 -41.7 8.8 21.1 39.5 42 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.866 108.1 53.9 -66.1 -32.8 8.6 19.2 36.2 43 46 A T H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 108.7 47.6 -64.7 -46.8 8.4 15.9 38.2 44 47 A N H X S+ 0 0 41 -4,-2.0 4,-2.9 1,-0.2 181,-0.3 0.898 108.2 56.3 -60.4 -40.0 5.5 17.3 40.3 45 48 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.938 107.4 48.9 -54.7 -48.7 3.9 18.3 37.0 46 49 A G H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.2 0.949 111.6 48.0 -56.7 -50.3 4.1 14.7 35.8 47 50 A T H >< S+ 0 0 40 -4,-2.4 3,-1.7 1,-0.3 4,-0.2 0.917 109.2 54.3 -56.6 -42.6 2.6 13.4 39.0 48 51 A G H 3< S+ 0 0 2 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.616 109.0 49.7 -71.3 -9.1 -0.2 16.0 38.8 49 52 A L T X< S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.8 -1,-0.3 0.286 75.8 107.1-107.0 9.6 -1.0 14.7 35.3 50 53 A K T < S+ 0 0 95 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.787 80.9 49.6 -62.1 -26.0 -1.2 11.0 36.2 51 54 A D T 3 S+ 0 0 115 -4,-0.2 2,-0.6 -3,-0.2 -1,-0.3 0.301 92.0 87.3 -98.4 9.8 -5.0 11.0 35.9 52 55 A I S < S- 0 0 35 -3,-1.9 2,-0.6 24,-0.1 -1,-0.0 -0.942 73.3-148.1-104.8 111.4 -4.9 12.7 32.5 53 56 A H - 0 0 133 -2,-0.6 117,-0.6 118,-0.0 2,-0.4 -0.681 11.8-152.6 -87.3 116.3 -4.6 10.0 29.9 54 57 A F E -c 170 0A 1 -2,-0.6 117,-0.2 1,-0.2 3,-0.1 -0.744 20.2-172.8 -92.7 135.9 -2.7 11.2 26.8 55 58 A X E S+ 0 0 57 115,-2.9 2,-0.3 -2,-0.4 116,-0.2 0.797 79.1 14.3 -85.4 -36.0 -3.2 9.7 23.4 56 59 A N E -c 171 0A 23 114,-1.3 116,-2.5 25,-0.1 2,-0.4 -0.959 62.1-156.1-135.5 158.0 -0.2 11.7 21.9 57 60 A A E +cd 172 83A 0 25,-0.6 27,-2.4 -2,-0.3 2,-0.3 -1.000 15.7 175.7-134.7 135.9 2.7 13.7 23.1 58 61 A Y E +cd 173 84A 2 114,-2.7 116,-2.8 -2,-0.4 2,-0.3 -0.936 4.4 167.4-132.7 152.3 4.6 16.4 21.3 59 62 A S E -cd 174 85A 0 25,-1.9 27,-2.5 -2,-0.3 30,-0.2 -0.936 40.2 -98.1-145.0 172.4 7.4 18.8 22.0 60 63 A S - 0 0 0 114,-1.3 27,-0.2 -2,-0.3 114,-0.1 -0.333 45.1-105.4 -72.4 176.6 9.7 21.2 20.1 61 64 A D S S+ 0 0 47 25,-0.3 2,-0.2 24,-0.1 26,-0.1 0.351 82.8 123.9 -86.3 6.9 13.1 19.7 19.3 62 65 A S >> - 0 0 7 1,-0.1 4,-2.5 27,-0.0 3,-1.0 -0.526 68.8-130.2 -67.8 132.6 14.6 22.0 22.1 63 66 A G H 3> S+ 0 0 30 1,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.858 107.9 55.6 -51.1 -40.2 16.5 19.9 24.6 64 67 A R H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -48,-0.5 0.872 110.0 45.1 -63.8 -33.4 14.6 21.6 27.5 65 68 A A H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.907 113.9 49.0 -78.4 -41.6 11.2 20.7 26.0 66 69 A I H X S+ 0 0 36 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.940 112.0 48.8 -58.7 -51.2 12.3 17.1 25.3 67 70 A E H X S+ 0 0 61 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.930 113.7 46.3 -57.7 -45.1 13.7 16.7 28.9 68 71 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.923 111.2 51.6 -65.1 -44.5 10.5 18.1 30.4 69 72 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.905 109.5 50.5 -57.8 -42.3 8.3 15.9 28.2 70 73 A N H X S+ 0 0 88 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.910 111.7 47.8 -64.9 -40.1 10.2 12.8 29.2 71 74 A L H X S+ 0 0 26 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.922 113.3 47.7 -63.7 -44.5 9.8 13.8 32.9 72 75 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.2 0.926 112.7 48.3 -63.2 -47.1 6.1 14.4 32.5 73 76 A L H <>S+ 0 0 6 -4,-2.9 5,-3.1 -5,-0.2 -1,-0.2 0.900 115.0 46.6 -60.2 -40.4 5.6 11.1 30.6 74 77 A K H ><5S+ 0 0 114 -4,-2.3 3,-1.0 -5,-0.2 5,-0.3 0.940 118.9 37.4 -64.6 -52.7 7.6 9.2 33.3 75 78 A Y H 3<5S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.729 111.4 58.7 -83.1 -16.0 5.9 10.7 36.3 76 79 A S T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.364 118.2-112.8 -87.0 6.0 2.4 10.8 34.7 77 80 A E T < 5S+ 0 0 147 -3,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.806 91.0 106.9 69.0 35.0 2.8 7.0 34.3 78 81 A Q > < + 0 0 29 -5,-3.1 3,-1.5 -6,-0.2 -4,-0.2 -0.339 29.9 148.8-131.1 52.0 3.0 7.0 30.5 79 82 A S T 3 S+ 0 0 84 -5,-0.3 -5,-0.2 1,-0.3 -6,-0.1 0.739 71.0 51.5 -58.9 -28.1 6.7 6.2 30.1 80 83 A K T 3 S+ 0 0 207 -7,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.514 76.6 115.2 -93.1 -5.1 6.2 4.3 26.8 81 84 A L S < S- 0 0 44 -3,-1.5 -25,-0.1 -8,-0.1 -3,-0.1 -0.516 75.3-112.4 -66.0 130.0 4.1 6.9 24.9 82 85 A K - 0 0 151 -2,-0.2 -25,-0.6 1,-0.1 2,-0.6 -0.359 23.2-138.0 -66.5 135.9 6.1 8.0 21.9 83 86 A L E -d 57 0A 29 -27,-0.1 2,-0.6 -2,-0.1 -25,-0.2 -0.894 13.8-156.6 -94.6 121.5 7.4 11.7 22.0 84 87 A E E -d 58 0A 34 -27,-2.4 -25,-1.9 -2,-0.6 2,-0.4 -0.870 6.9-154.0-100.1 119.2 7.0 13.4 18.7 85 88 A Q E -d 59 0A 92 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.739 9.5-170.6 -94.7 140.4 9.3 16.4 18.2 86 89 A R > - 0 0 55 -27,-2.5 3,-1.9 -2,-0.4 -25,-0.3 -0.968 20.0-156.0-134.9 118.5 8.4 19.2 15.9 87 90 A K G > S+ 0 0 143 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.759 95.3 66.3 -60.4 -26.9 10.8 22.0 14.9 88 91 A K G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 67,-0.2 0.619 90.5 65.8 -75.6 -7.0 7.8 24.2 14.1 89 92 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 -30,-0.2 -29,-0.3 0.292 76.5 126.4 -92.9 8.4 7.0 24.2 17.8 90 93 A R < - 0 0 51 -3,-1.4 3,-0.1 -31,-0.1 -61,-0.1 -0.314 67.2-103.5 -61.0 147.7 10.2 26.1 18.7 91 94 A E - 0 0 12 -63,-0.5 -63,-0.1 1,-0.2 -1,-0.1 -0.105 61.2 -62.5 -52.2 163.8 10.0 29.3 20.8 92 95 A L - 0 0 0 -65,-0.1 2,-0.7 1,-0.1 -63,-0.2 -0.295 53.6-116.5 -53.2 136.4 10.4 32.6 19.0 93 96 A N - 0 0 22 -65,-0.2 50,-1.9 1,-0.1 3,-0.1 -0.750 23.0-163.8 -75.1 113.5 13.8 33.0 17.3 94 97 A F > - 0 0 12 -2,-0.7 3,-2.1 1,-0.3 48,-0.3 0.371 20.1-160.1 -82.1 4.2 15.4 36.0 19.1 95 98 A G G > S+ 0 0 10 46,-0.4 3,-2.1 1,-0.3 -1,-0.3 -0.265 72.7 5.8 57.1-126.3 18.0 36.4 16.3 96 99 A I G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.692 128.6 65.4 -61.1 -21.3 21.1 38.3 17.4 97 100 A F G X + 0 0 19 -3,-2.1 3,-2.4 2,-0.1 -71,-0.4 0.511 66.4 128.3 -82.9 -4.5 19.6 38.3 21.0 98 101 A E T < S+ 0 0 47 -3,-2.1 -71,-0.2 1,-0.3 3,-0.1 -0.308 86.3 5.2 -55.7 126.2 19.9 34.5 21.5 99 102 A G T 3 S+ 0 0 24 -73,-2.5 -1,-0.3 1,-0.3 -72,-0.1 0.266 99.6 131.7 81.4 -12.6 21.7 34.0 24.8 100 103 A E S < S- 0 0 71 -3,-2.4 -74,-3.2 -75,-0.1 -1,-0.3 -0.393 71.9 -92.8 -70.3 148.0 21.8 37.8 25.6 101 104 A K B > -H 25 0C 106 -76,-0.3 4,-2.1 1,-0.1 -76,-0.3 -0.386 33.6-128.9 -55.0 135.3 20.8 39.0 29.1 102 105 A L H > S+ 0 0 53 -78,-2.8 4,-3.2 1,-0.2 5,-0.2 0.877 108.3 59.1 -58.5 -38.3 17.1 39.8 28.8 103 106 A D H > S+ 0 0 123 -79,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.892 108.4 45.7 -56.7 -41.9 17.8 43.3 30.4 104 107 A N H > S+ 0 0 77 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.882 113.0 49.6 -67.4 -41.9 20.1 44.0 27.5 105 108 A X H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 112.1 47.1 -61.9 -49.1 17.7 42.7 24.9 106 109 A W H X S+ 0 0 71 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.846 109.2 54.6 -66.4 -32.7 14.8 44.8 26.3 107 110 A D H X S+ 0 0 90 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.905 111.8 45.1 -61.0 -42.4 17.0 47.9 26.5 108 111 A A H X S+ 0 0 39 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.864 115.7 46.3 -71.0 -36.2 17.8 47.5 22.8 109 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.888 110.3 53.1 -71.7 -41.4 14.1 46.8 22.0 110 113 A G H X>S+ 0 0 2 -4,-3.0 5,-2.3 2,-0.2 4,-0.8 0.883 106.8 53.1 -58.9 -40.0 12.9 49.8 24.0 111 114 A K H <5S+ 0 0 176 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.908 108.3 50.1 -62.7 -43.4 15.3 52.0 22.1 112 115 A A H <5S+ 0 0 48 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.803 111.2 48.3 -60.0 -34.8 13.8 50.7 18.8 113 116 A A H <5S- 0 0 31 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.670 110.6-129.2 -77.1 -14.1 10.3 51.5 20.2 114 117 A G T <5 + 0 0 66 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.699 59.0 146.2 66.5 24.8 11.7 54.9 21.1 115 118 A V < - 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