==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-MAR-10 3M8W . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR T.D.PANOSIAN,D.P.NANNEMANN,G.WATKINS,B.WADZINSKI,B.O.BACHMAN . 1172 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 7.6 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 81 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.9 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 7 2 3 4 6 0 1 5 3 1 3 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 3 0 6 3 6 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 . 9 0 7 5 3 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 0 3 0 0 3 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 2 A N 0 0 115 0, 0.0 375,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.4 -21.3 13.7 -2.2 2 3 A K + 0 0 91 373,-0.5 2,-0.4 1,-0.2 374,-0.1 0.951 360.0 27.8 -64.3 -51.1 -20.5 11.8 -5.4 3 4 A Y - 0 0 7 372,-0.1 -1,-0.2 1,-0.1 316,-0.2 -0.944 63.5-161.6-113.4 135.0 -18.1 9.6 -3.5 4 5 A K S S+ 0 0 58 314,-2.4 271,-1.8 -2,-0.4 2,-0.4 0.839 84.2 23.0 -76.8 -36.4 -18.4 8.9 0.2 5 6 A R E -ab 275 319A 7 313,-1.5 315,-2.3 269,-0.2 2,-0.5 -0.996 63.9-162.4-136.1 136.1 -14.8 7.8 0.5 6 7 A I E -ab 276 320A 0 269,-2.4 271,-2.8 -2,-0.4 2,-0.6 -0.987 6.9-158.9-119.1 128.6 -11.7 8.6 -1.6 7 8 A F E -ab 277 321A 1 313,-3.5 315,-3.5 -2,-0.5 2,-0.6 -0.942 11.2-169.4-108.1 111.9 -8.6 6.4 -1.3 8 9 A L E -ab 278 322A 0 269,-3.1 271,-3.0 -2,-0.6 2,-0.5 -0.923 1.2-169.8-110.2 119.9 -5.5 8.2 -2.4 9 10 A V E -ab 279 323A 2 313,-3.4 315,-2.9 -2,-0.6 2,-0.7 -0.948 7.1-163.5-114.8 117.7 -2.4 6.2 -2.9 10 11 A V E -ab 280 324A 0 269,-3.1 271,-3.0 -2,-0.5 2,-1.1 -0.909 7.2-157.9 -97.7 114.4 1.0 7.8 -3.5 11 12 A M E > -a 281 0A 0 313,-3.1 3,-1.7 -2,-0.7 315,-0.4 -0.846 35.8-125.6 -86.4 102.9 3.5 5.4 -4.9 12 13 A D T 3 S- 0 0 0 269,-1.9 273,-0.2 -2,-1.1 3,-0.1 -0.388 79.1 -5.2 -68.7 124.8 6.4 7.5 -3.7 13 14 A S T 3 S+ 0 0 0 -2,-0.2 2,-2.2 1,-0.2 316,-0.9 0.434 85.0 143.0 79.6 4.7 8.9 8.4 -6.5 14 15 A V < - 0 0 1 -3,-1.7 -1,-0.2 314,-0.2 314,-0.2 -0.460 30.9-179.2 -82.0 77.3 7.1 6.2 -9.1 15 16 A G - 0 0 0 -2,-2.2 18,-2.4 328,-0.1 328,-0.2 -0.353 28.3-150.5 -80.0 156.0 7.7 8.5 -12.1 16 17 A I - 0 0 1 326,-2.7 327,-0.1 1,-0.4 -1,-0.1 -0.034 65.7 -46.0-119.9 32.0 6.5 7.8 -15.6 17 18 A G S S- 0 0 10 325,-0.3 325,-2.8 322,-0.1 -1,-0.4 -0.092 80.7 -47.2 119.1 147.8 9.2 9.7 -17.7 18 19 A E B -I 341 0B 78 12,-2.2 323,-0.3 323,-0.3 10,-0.1 -0.035 56.0-128.5 -45.6 132.8 11.1 13.0 -17.8 19 20 A A > - 0 0 4 321,-2.0 3,-2.0 1,-0.1 4,-0.2 -0.327 29.5 -99.0 -76.7 164.6 8.9 16.1 -17.5 20 21 A P T 3 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.781 125.6 45.8 -57.1 -27.3 9.1 19.1 -20.0 21 22 A D T >> S+ 0 0 29 1,-0.2 3,-0.8 2,-0.1 4,-0.6 0.154 76.0 115.8-103.2 19.6 11.4 20.9 -17.5 22 23 A A G X4> + 0 0 0 -3,-2.0 5,-2.6 1,-0.2 3,-1.1 0.801 66.1 65.4 -57.4 -34.1 13.7 18.0 -16.7 23 24 A E G >45S+ 0 0 146 -3,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.886 93.4 60.2 -60.2 -40.7 16.8 19.7 -18.3 24 25 A Q G <45S+ 0 0 157 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.785 110.6 43.1 -50.6 -32.5 16.8 22.4 -15.6 25 26 A F G <<5S- 0 0 52 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.324 116.9-108.6-100.3 2.6 17.2 19.7 -13.0 26 27 A G T < 5S+ 0 0 56 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.846 85.0 124.5 66.1 36.7 19.9 17.6 -14.8 27 28 A D > < + 0 0 4 -5,-2.6 3,-2.0 -6,-0.1 -4,-0.2 0.146 21.7 141.7-117.5 16.9 17.1 15.0 -15.4 28 29 A L T 3 S+ 0 0 99 -6,-0.3 -7,-0.0 1,-0.3 -9,-0.0 -0.364 74.6 22.0 -58.0 137.4 17.2 14.5 -19.1 29 30 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 304,-0.0 2,-0.1 0.302 87.8 147.2 88.4 -9.0 16.6 10.8 -20.0 30 31 A S < + 0 0 1 -3,-2.0 -12,-2.2 310,-0.1 -1,-0.3 -0.384 10.5 157.2 -70.3 136.3 15.0 10.0 -16.6 31 32 A D > - 0 0 19 -14,-0.3 4,-2.2 -2,-0.1 5,-0.3 -0.687 15.5-175.5-161.6 92.6 12.3 7.4 -16.6 32 33 A T H > S+ 0 0 0 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.987 86.2 30.8 -62.5 -66.1 11.5 5.6 -13.4 33 34 A I H > S+ 0 0 3 -18,-2.4 4,-2.9 1,-0.2 5,-0.2 0.917 121.5 52.8 -61.3 -42.7 9.0 2.9 -14.4 34 35 A G H > S+ 0 0 4 1,-0.2 4,-1.8 -19,-0.2 26,-0.3 0.884 110.4 44.8 -62.6 -42.9 10.4 2.6 -17.9 35 36 A H H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.856 114.5 49.9 -71.6 -35.0 14.0 1.9 -16.9 36 37 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.933 108.3 52.9 -65.0 -47.5 12.9 -0.5 -14.2 37 38 A A H <>S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 4,-0.2 0.885 110.7 48.1 -54.7 -41.2 10.7 -2.3 -16.7 38 39 A E H ><5S+ 0 0 126 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.926 111.3 49.4 -65.8 -44.7 13.8 -2.7 -19.0 39 40 A H H 3<5S+ 0 0 83 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.906 112.0 48.5 -59.5 -42.6 15.9 -3.9 -16.1 40 41 A M T 3<5S- 0 0 32 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.456 110.7-122.3 -74.2 -3.1 13.3 -6.5 -15.2 41 42 A N T < 5S- 0 0 122 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.866 90.8 -6.5 54.5 39.5 13.0 -7.6 -18.8 42 43 A G S + 0 0 5 -2,-1.0 4,-2.5 16,-0.4 5,-0.2 -0.440 12.8 158.1-130.8 59.7 2.0 -5.4 -13.0 46 47 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.796 74.3 50.4 -59.6 -32.0 -1.2 -7.0 -14.4 47 48 A N H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.905 110.7 46.0 -75.3 -44.0 -3.5 -5.0 -12.0 48 49 A M H >>S+ 0 0 1 2,-0.2 5,-2.4 1,-0.2 4,-1.4 0.884 113.3 53.3 -59.5 -39.5 -2.1 -1.6 -12.7 49 50 A V H <5S+ 0 0 22 -4,-2.5 3,-0.4 3,-0.2 -2,-0.2 0.919 105.7 52.3 -59.8 -45.2 -2.3 -2.6 -16.4 50 51 A K H <5S+ 0 0 120 -4,-2.1 19,-2.8 1,-0.2 -1,-0.2 0.831 107.5 52.8 -60.0 -33.3 -6.0 -3.5 -15.9 51 52 A L H <5S- 0 0 2 -4,-1.6 19,-1.0 17,-0.2 -1,-0.2 0.783 130.4 -95.2 -72.5 -30.6 -6.5 -0.0 -14.4 52 53 A G T X5S+ 0 0 0 -4,-1.4 4,-1.0 -3,-0.4 3,-0.4 0.563 76.8 139.8 126.0 19.5 -4.9 1.6 -17.4 53 54 A L H >> -J 62 0C 19 3,-2.2 3,-2.8 -2,-0.4 2,-0.2 -0.842 50.1 -56.1-138.5 171.6 6.5 0.1 -21.2 60 61 A K T 3 S- 0 0 105 1,-0.3 -17,-2.4 -26,-0.3 -18,-0.2 -0.343 128.2 -1.2 -60.9 118.1 8.2 -3.3 -21.2 61 62 A G T 3 S+ 0 0 50 -19,-0.3 2,-0.6 -2,-0.2 -16,-0.4 0.370 115.6 98.9 83.9 -3.3 5.7 -5.8 -19.8 62 63 A I B < +J 59 0C 0 -3,-2.8 -3,-2.2 -18,-0.1 2,-0.2 -0.871 52.3 172.0-123.1 95.1 3.2 -2.9 -19.4 63 64 A S - 0 0 69 -2,-0.6 -9,-0.6 -5,-0.2 -8,-0.3 -0.665 34.6-100.7-105.9 158.1 0.7 -2.8 -22.3 64 65 A K - 0 0 131 -10,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.324 33.1-144.6 -68.3 154.6 -2.5 -0.8 -23.0 65 66 A V - 0 0 40 -16,-0.2 -1,-0.0 1,-0.1 -15,-0.0 -0.930 13.8-130.9-120.9 151.6 -5.9 -2.5 -22.5 66 67 A E S S+ 0 0 202 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.881 102.8 27.7 -69.0 -36.6 -9.1 -1.9 -24.5 67 68 A K S S- 0 0 129 -3,-0.1 -1,-0.3 288,-0.0 290,-0.1 -0.717 79.9-162.0-130.4 82.7 -11.2 -1.4 -21.6 68 69 A P - 0 0 6 0, 0.0 288,-2.3 0, 0.0 -17,-0.2 -0.359 25.2-125.6 -63.3 144.2 -9.3 0.0 -18.6 69 70 A L S S+ 0 0 55 -19,-2.8 280,-0.3 286,-0.2 286,-0.2 0.858 86.4 2.7 -57.4 -37.8 -11.1 -0.4 -15.2 70 71 A G S S- 0 0 1 -19,-1.0 286,-0.5 -20,-0.2 278,-0.2 -0.608 93.1 -64.1-135.5-167.2 -10.8 3.4 -14.6 71 72 A Y E -C 347 0A 40 276,-2.9 276,-2.6 285,-0.2 2,-0.3 -0.524 49.2-169.0 -88.3 154.5 -9.7 6.7 -15.9 72 73 A Y E +Cd 346 358A 27 285,-1.7 287,-2.6 274,-0.2 2,-0.3 -0.988 22.5 123.6-148.3 149.6 -6.1 7.5 -16.7 73 74 A T E -C 345 0A 6 272,-1.9 272,-2.3 -2,-0.3 2,-0.3 -0.940 46.2 -99.8-176.4-175.6 -3.6 10.2 -17.5 74 75 A K E -C 344 0A 48 -2,-0.3 288,-2.4 270,-0.2 2,-0.4 -0.810 25.3-133.4-117.3 169.4 -0.4 11.7 -16.2 75 76 A M E -Ce 343 362A 0 268,-2.7 268,-2.0 -2,-0.3 2,-0.4 -0.956 6.8-146.5-123.8 144.8 0.3 14.8 -14.1 76 77 A Q - 0 0 49 286,-2.9 2,-0.4 -2,-0.4 289,-0.2 -0.892 21.8-123.8-107.4 136.5 2.9 17.5 -14.6 77 78 A E - 0 0 3 -2,-0.4 287,-0.1 264,-0.2 10,-0.1 -0.655 23.3-177.6 -81.2 130.6 4.5 19.2 -11.6 78 79 A K + 0 0 116 -2,-0.4 -1,-0.1 0, 0.0 286,-0.1 0.795 55.0 92.3 -96.5 -35.4 4.1 23.0 -11.5 79 80 A S S S- 0 0 0 15,-0.1 18,-0.2 7,-0.1 -2,-0.0 -0.119 83.6-115.9 -58.4 158.6 6.1 23.8 -8.3 80 81 A T S S+ 0 0 50 16,-2.1 17,-0.1 2,-0.0 -1,-0.1 0.882 88.3 60.8 -67.5 -44.3 9.8 24.5 -8.5 81 82 A G - 0 0 3 15,-0.5 15,-0.1 17,-0.1 20,-0.1 -0.290 61.1-149.6 -89.1 170.0 11.2 21.5 -6.6 82 83 A K + 0 0 19 18,-0.2 246,-0.1 -2,-0.1 257,-0.1 0.057 58.8 118.8-123.4 20.4 11.1 17.8 -7.1 83 84 A D S > S- 0 0 15 17,-0.1 4,-2.3 255,-0.1 5,-0.2 -0.321 76.9-103.8 -86.7 169.9 11.2 16.7 -3.4 84 85 A X H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 117.7 49.8 -62.5 -44.4 8.6 14.8 -1.4 85 86 A M H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.939 112.0 47.5 -62.9 -48.8 7.2 17.8 0.5 86 87 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 113.8 48.4 -53.2 -52.4 6.7 19.9 -2.7 87 88 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 116.1 42.0 -58.2 -49.6 5.0 17.0 -4.5 88 89 A H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.877 113.5 52.0 -67.8 -39.1 2.6 16.2 -1.7 89 90 A W H <>S+ 0 0 0 -4,-3.0 5,-2.2 -5,-0.2 -2,-0.2 0.904 111.5 47.8 -65.0 -38.6 1.9 19.8 -0.9 90 91 A E H ><5S+ 0 0 0 -4,-2.6 3,-1.8 -5,-0.2 279,-0.3 0.912 106.5 56.9 -67.2 -42.6 1.0 20.4 -4.6 91 92 A I H 3<5S+ 0 0 0 -4,-2.2 278,-1.8 1,-0.3 -1,-0.2 0.891 106.8 51.4 -53.1 -40.3 -1.2 17.3 -4.7 92 93 A M T 3<5S- 0 0 0 -4,-1.8 131,-3.0 276,-0.1 -1,-0.3 0.305 134.8 -81.9 -89.6 10.5 -3.2 18.8 -1.8 93 94 A G T < 5S+ 0 0 2 -3,-1.8 290,-1.0 1,-0.3 289,-0.3 0.504 88.0 115.7 117.2 10.6 -3.7 22.1 -3.5 94 95 A L < - 0 0 10 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.435 50.5-140.9-101.4 173.0 -0.7 24.3 -3.0 95 96 A Y - 0 0 88 124,-0.3 2,-0.6 -2,-0.1 -9,-0.0 -0.982 16.7-159.7-132.0 126.6 2.0 25.9 -5.3 96 97 A I + 0 0 1 -2,-0.4 -16,-2.1 1,-0.1 -15,-0.5 -0.899 16.9 174.7-116.5 106.9 5.5 25.9 -3.9 97 98 A D + 0 0 95 -2,-0.6 -1,-0.1 -18,-0.2 0, 0.0 0.802 67.8 68.5 -75.5 -33.0 8.0 28.4 -5.4 98 99 A T S S- 0 0 34 -18,-0.1 2,-0.1 -17,-0.0 -1,-0.1 -0.827 78.2-144.1-101.2 114.2 10.8 27.7 -3.0 99 100 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.429 15.2-117.1 -77.9 147.7 12.4 24.2 -3.4 100 101 A F - 0 0 12 -2,-0.1 -18,-0.2 88,-0.1 2,-0.2 -0.621 37.1-128.1 -77.9 143.1 13.7 22.1 -0.5 101 102 A Q - 0 0 72 88,-3.4 90,-0.3 -2,-0.3 2,-0.3 -0.622 14.1-153.2 -99.6 151.5 17.5 21.5 -0.8 102 103 A V - 0 0 41 -2,-0.2 54,-0.1 54,-0.1 52,-0.1 -0.874 7.0-150.5-117.9 157.8 19.6 18.4 -0.7 103 104 A F > + 0 0 14 52,-0.4 3,-2.1 50,-0.3 49,-0.1 -0.562 25.1 163.1-133.9 69.3 23.2 18.2 0.4 104 105 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.694 88.7 39.4 -64.3 -19.5 25.3 15.5 -1.3 105 106 A E T 3 S- 0 0 186 1,-0.5 2,-0.1 22,-0.1 -2,-0.0 0.096 124.2 -99.1-114.0 19.2 28.5 17.2 -0.3 106 107 A G < - 0 0 10 -3,-2.1 -1,-0.5 2,-0.0 21,-0.1 -0.201 56.2 -43.9 87.9 177.4 27.3 18.3 3.2 107 108 A F - 0 0 7 1,-0.1 81,-0.1 -3,-0.1 -4,-0.0 -0.502 66.8 -92.6 -83.7 148.7 25.9 21.6 4.5 108 109 A P >> - 0 0 41 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.281 31.8-121.0 -58.6 143.8 27.5 25.0 3.7 109 110 A K H 3> S+ 0 0 136 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.861 110.1 63.0 -53.4 -39.5 30.0 26.2 6.2 110 111 A E H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 104.6 45.1 -56.3 -43.5 27.9 29.4 6.8 111 112 A L H <> S+ 0 0 2 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.936 115.3 46.2 -65.7 -48.9 25.0 27.3 8.2 112 113 A L H X S+ 0 0 15 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.852 109.5 56.2 -65.4 -35.1 27.2 25.1 10.4 113 114 A D H X S+ 0 0 65 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.906 109.1 45.9 -59.8 -44.6 29.0 28.2 11.6 114 115 A E H X S+ 0 0 81 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 110.8 52.4 -69.6 -37.7 25.8 29.8 12.8 115 116 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 6,-0.3 0.911 111.7 47.1 -62.0 -43.2 24.6 26.6 14.5 116 117 A E H X>S+ 0 0 68 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.922 111.6 51.8 -58.9 -45.3 27.9 26.4 16.3 117 118 A E H <5S+ 0 0 160 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.830 114.7 41.6 -62.9 -35.7 27.6 30.1 17.3 118 119 A K H <5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.800 123.4 35.5 -83.5 -29.9 24.0 29.6 18.7 119 120 A T H <5S- 0 0 31 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.728 92.2-131.7 -97.4 -26.4 24.6 26.3 20.5 120 121 A G T <5S+ 0 0 74 -4,-2.6 2,-0.3 1,-0.3 -3,-0.1 0.750 70.2 115.5 74.8 25.7 28.2 26.6 21.8 121 122 A R < - 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