==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-NOV-11 3UN3 . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR T.M.IVERSON,W.R.BIRMINGHAM,T.D.PANOSIAN,D.P.NANNEMANN,B.O.BA . 1171 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 68.9 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 . 88 7.5 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 . 78 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 10.4 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 6 3 3 4 6 0 0 6 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 8 4 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 0 123 0, 0.0 375,-0.1 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 139.1 -21.5 13.9 -2.4 2 3 A K + 0 0 93 373,-0.5 2,-0.4 1,-0.2 374,-0.1 0.926 360.0 25.9 -65.4 -48.0 -20.5 11.9 -5.5 3 4 A Y - 0 0 7 372,-0.2 -1,-0.2 1,-0.1 316,-0.2 -0.965 61.1-160.4-118.1 136.2 -18.1 9.7 -3.5 4 5 A K S S+ 0 0 59 314,-2.3 271,-1.8 -2,-0.4 2,-0.4 0.825 84.4 23.8 -77.3 -36.2 -18.4 8.9 0.2 5 6 A R E -ab 275 319A 6 313,-1.5 315,-2.3 269,-0.2 2,-0.5 -0.998 63.7-162.3-136.0 135.8 -14.8 7.8 0.5 6 7 A I E -ab 276 320A 0 269,-2.3 271,-2.8 -2,-0.4 2,-0.7 -0.987 6.7-159.4-118.0 126.7 -11.7 8.6 -1.6 7 8 A F E -ab 277 321A 1 313,-3.2 315,-3.2 -2,-0.5 2,-0.5 -0.927 11.2-169.4-106.8 108.9 -8.6 6.4 -1.3 8 9 A L E -ab 278 322A 0 269,-3.1 271,-3.2 -2,-0.7 2,-0.5 -0.908 1.6-170.4-107.3 123.1 -5.5 8.2 -2.5 9 10 A V E -ab 279 323A 2 313,-3.1 315,-2.8 -2,-0.5 2,-0.7 -0.959 7.5-163.4-118.6 116.1 -2.4 6.2 -3.0 10 11 A V E -ab 280 324A 0 269,-3.0 271,-3.0 -2,-0.5 2,-1.0 -0.914 7.8-156.8 -95.6 114.7 1.0 7.9 -3.6 11 12 A M E > -a 281 0A 0 313,-3.0 3,-1.5 -2,-0.7 315,-0.4 -0.854 36.3-124.1 -85.6 107.4 3.5 5.4 -5.0 12 13 A D T 3 S- 0 0 0 269,-2.1 273,-0.2 -2,-1.0 3,-0.1 -0.439 79.7 -6.8 -72.5 122.6 6.4 7.5 -3.8 13 14 A S T 3 S+ 0 0 0 -2,-0.3 2,-2.2 1,-0.2 316,-0.8 0.439 85.2 143.8 79.0 4.3 8.8 8.4 -6.6 14 15 A V < - 0 0 2 -3,-1.5 314,-0.2 314,-0.2 -1,-0.2 -0.443 30.6-179.3 -79.1 75.7 7.1 6.2 -9.2 15 16 A G - 0 0 0 -2,-2.2 18,-2.2 328,-0.1 328,-0.2 -0.327 28.1-150.4 -78.4 156.7 7.7 8.5 -12.2 16 17 A I - 0 0 1 326,-2.8 327,-0.2 1,-0.4 2,-0.1 0.170 65.8 -43.7-116.8 18.2 6.5 7.9 -15.7 17 18 A G S S- 0 0 11 325,-0.5 325,-2.9 2,-0.0 -1,-0.4 -0.294 80.6 -50.2 131.0 150.1 9.1 9.7 -17.8 18 19 A E B -I 341 0B 80 12,-1.8 323,-0.3 323,-0.3 10,-0.1 -0.050 55.4-127.2 -49.5 136.6 11.0 13.0 -17.9 19 20 A A > - 0 0 5 321,-1.9 3,-2.0 1,-0.1 4,-0.2 -0.333 29.1 -99.7 -78.8 165.3 8.9 16.2 -17.6 20 21 A P T 3 S+ 0 0 82 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.779 125.0 45.6 -57.9 -27.0 9.2 19.1 -20.1 21 22 A D T > S+ 0 0 38 1,-0.2 3,-0.7 2,-0.1 4,-0.5 0.102 75.8 116.3-104.6 22.8 11.4 21.0 -17.7 22 23 A A G X > + 0 0 0 -3,-2.0 5,-2.5 1,-0.2 3,-1.2 0.789 65.3 66.3 -60.1 -31.5 13.7 18.0 -16.8 23 24 A E G > 5S+ 0 0 146 -3,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.873 92.2 60.9 -61.9 -39.3 16.8 19.7 -18.4 24 25 A Q G < 5S+ 0 0 159 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.760 110.5 42.8 -52.2 -29.6 16.8 22.5 -15.7 25 26 A F G < 5S- 0 0 50 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.334 116.6-108.6-103.1 1.3 17.3 19.7 -13.1 26 27 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.855 84.9 124.4 65.7 37.7 19.9 17.6 -14.9 27 28 A D > < + 0 0 4 -5,-2.5 3,-1.9 -6,-0.1 -4,-0.2 0.133 21.6 140.8-119.3 18.5 17.2 15.0 -15.5 28 29 A L T 3 S+ 0 0 97 -6,-0.3 -7,-0.0 1,-0.2 -9,-0.0 -0.398 74.7 22.6 -58.7 135.7 17.2 14.5 -19.2 29 30 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 304,-0.0 2,-0.2 0.289 87.8 146.1 90.9 -10.0 16.6 10.8 -20.0 30 31 A S < + 0 0 1 -3,-1.9 -12,-1.8 310,-0.1 -1,-0.3 -0.415 10.6 156.3 -73.4 136.5 15.0 10.0 -16.7 31 32 A D > - 0 0 19 -14,-0.3 4,-2.2 -2,-0.2 5,-0.3 -0.706 16.3-174.5-164.0 88.5 12.2 7.4 -16.7 32 33 A T H > S+ 0 0 0 -2,-0.2 4,-1.8 2,-0.2 5,-0.2 0.976 86.4 31.2 -61.8 -62.3 11.6 5.6 -13.4 33 34 A I H > S+ 0 0 3 -18,-2.2 4,-3.1 1,-0.2 5,-0.2 0.907 120.5 53.3 -65.8 -41.3 9.0 2.9 -14.5 34 35 A G H > S+ 0 0 5 -19,-0.2 4,-1.7 2,-0.2 26,-0.3 0.884 110.6 44.5 -62.3 -42.8 10.4 2.6 -18.0 35 36 A H H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.866 114.7 49.7 -72.0 -36.4 14.0 1.9 -16.9 36 37 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.930 108.4 53.5 -63.8 -46.6 12.8 -0.5 -14.3 37 38 A A H <>S+ 0 0 0 -4,-3.1 5,-3.0 1,-0.2 4,-0.2 0.890 110.7 47.4 -55.1 -40.8 10.6 -2.3 -16.8 38 39 A E H ><5S+ 0 0 125 -4,-1.7 3,-1.4 3,-0.2 -1,-0.2 0.927 110.9 50.4 -68.2 -44.0 13.7 -2.7 -19.1 39 40 A H H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 111.2 49.2 -59.1 -40.6 15.8 -4.0 -16.2 40 41 A M T 3<5S- 0 0 34 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.472 111.0-120.6 -77.3 -1.3 13.1 -6.6 -15.3 41 42 A N T < 5S- 0 0 123 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.884 91.7 -8.7 55.5 39.6 12.8 -7.8 -18.9 42 43 A G S + 0 0 4 -2,-0.9 4,-2.3 16,-0.4 3,-0.2 -0.387 13.7 158.8-143.3 58.6 2.0 -5.4 -13.0 46 47 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.791 73.5 51.6 -60.5 -30.5 -1.3 -6.9 -14.5 47 48 A N H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.898 110.2 45.9 -76.1 -41.8 -3.6 -5.0 -12.1 48 49 A M H >>S+ 0 0 2 2,-0.2 5,-2.5 1,-0.2 4,-1.2 0.871 112.8 53.9 -62.2 -39.0 -2.1 -1.6 -12.8 49 50 A V H <5S+ 0 0 23 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.918 106.0 51.7 -58.5 -45.2 -2.4 -2.6 -16.5 50 51 A K H <5S+ 0 0 121 -4,-2.0 19,-2.4 1,-0.2 -1,-0.2 0.836 107.6 53.0 -61.7 -33.8 -6.1 -3.5 -16.0 51 52 A L H <5S- 0 0 2 -4,-1.5 19,-1.0 17,-0.2 -1,-0.2 0.753 130.3 -95.2 -71.4 -28.5 -6.6 -0.0 -14.5 52 53 A G T X5S+ 0 0 0 -4,-1.2 4,-1.1 -3,-0.5 3,-0.4 0.570 76.6 140.3 123.4 18.0 -5.0 1.6 -17.6 53 54 A L H >> -J 62 0C 19 3,-2.0 3,-2.7 -2,-0.4 2,-0.2 -0.843 50.8 -55.6-138.1 172.5 6.5 0.1 -21.4 60 61 A K T 3 S- 0 0 104 1,-0.3 -17,-2.3 -2,-0.3 -18,-0.2 -0.335 128.5 -1.3 -60.7 118.8 8.2 -3.3 -21.3 61 62 A G T 3 S+ 0 0 52 -19,-0.3 2,-0.6 -2,-0.2 -16,-0.4 0.336 115.0 98.7 83.5 -5.5 5.6 -5.8 -20.0 62 63 A I B < +J 59 0C 0 -3,-2.7 -3,-2.0 -18,-0.1 2,-0.2 -0.874 53.0 173.4-119.5 95.4 3.0 -2.9 -19.6 63 64 A S - 0 0 68 -2,-0.6 -9,-0.6 -5,-0.2 -8,-0.3 -0.682 34.0-101.0-105.4 156.4 0.6 -2.8 -22.5 64 65 A K - 0 0 128 -10,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.297 34.2-141.7 -65.0 154.0 -2.5 -0.8 -23.2 65 66 A V - 0 0 39 -16,-0.1 -1,-0.0 1,-0.1 -15,-0.0 -0.918 13.9-130.8-118.4 153.0 -5.9 -2.4 -22.7 66 67 A E S S+ 0 0 203 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.872 103.3 24.7 -64.0 -41.7 -9.1 -2.0 -24.7 67 68 A K S S- 0 0 131 -3,-0.0 -1,-0.3 288,-0.0 290,-0.1 -0.760 79.0-160.3-132.3 83.7 -11.3 -1.3 -21.7 68 69 A P - 0 0 6 0, 0.0 288,-2.2 0, 0.0 -17,-0.2 -0.346 23.8-126.4 -61.8 145.1 -9.4 0.1 -18.7 69 70 A L S S+ 0 0 56 -19,-2.4 280,-0.3 286,-0.2 286,-0.2 0.862 86.3 3.1 -61.0 -38.6 -11.2 -0.3 -15.3 70 71 A G S S- 0 0 0 -19,-1.0 286,-0.5 -20,-0.2 278,-0.2 -0.575 93.7 -65.2-133.4-166.2 -10.9 3.5 -14.6 71 72 A Y E -C 347 0A 41 276,-2.9 276,-2.5 285,-0.2 2,-0.3 -0.526 48.4-169.9 -90.4 157.6 -9.8 6.8 -16.0 72 73 A Y E +Cd 346 358A 26 285,-1.7 287,-2.6 274,-0.2 2,-0.3 -0.993 22.6 123.9-151.4 150.3 -6.1 7.5 -16.8 73 74 A T E -C 345 0A 5 272,-1.8 272,-2.4 -2,-0.3 2,-0.3 -0.931 46.7 -99.0-176.2-173.4 -3.6 10.3 -17.7 74 75 A K E -C 344 0A 50 -2,-0.3 288,-2.4 270,-0.2 2,-0.4 -0.836 24.8-133.0-119.1 169.4 -0.5 11.8 -16.3 75 76 A M E -Ce 343 362A 0 268,-2.8 268,-2.0 -2,-0.3 2,-0.4 -0.942 7.6-145.3-121.4 146.9 0.3 14.8 -14.2 76 77 A Q - 0 0 50 286,-2.8 2,-0.4 -2,-0.4 289,-0.2 -0.898 22.5-121.7-108.5 136.1 2.9 17.5 -14.6 77 78 A E - 0 0 4 -2,-0.4 287,-0.1 264,-0.2 10,-0.1 -0.648 25.4-178.2 -78.6 126.6 4.5 19.2 -11.6 78 79 A K + 0 0 117 -2,-0.4 -1,-0.1 3,-0.0 286,-0.1 0.788 53.8 90.8 -94.5 -33.8 4.1 23.0 -11.6 79 80 A S S S- 0 0 0 15,-0.1 18,-0.2 7,-0.1 -2,-0.0 -0.170 85.8-112.1 -63.4 159.9 6.0 23.9 -8.4 80 81 A T S S+ 0 0 53 16,-1.7 2,-0.2 2,-0.0 17,-0.1 0.854 89.6 58.3 -62.6 -41.9 9.8 24.7 -8.7 81 82 A G - 0 0 2 15,-0.5 15,-0.1 1,-0.1 -2,-0.1 -0.487 60.2-148.7-100.4 164.3 11.2 21.7 -6.8 82 83 A K + 0 0 21 18,-0.2 246,-0.1 -2,-0.2 257,-0.1 0.076 60.4 120.8-112.0 21.3 11.1 17.9 -7.2 83 84 A D S > S- 0 0 11 17,-0.1 4,-2.1 255,-0.1 5,-0.2 -0.236 76.4 -98.4 -87.3 171.6 11.4 17.1 -3.4 84 85 A Q H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.886 119.2 41.9 -54.7 -50.7 9.1 15.2 -1.1 85 86 A M H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.893 112.4 54.0 -72.4 -39.7 7.3 18.2 0.5 86 87 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.957 111.2 45.0 -56.1 -53.4 6.8 20.1 -2.8 87 88 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.906 118.0 42.8 -60.0 -47.5 5.2 17.1 -4.6 88 89 A H H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.886 113.8 50.1 -68.3 -41.1 2.8 16.3 -1.7 89 90 A W H <>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 -2,-0.2 0.896 111.6 49.7 -66.2 -37.7 1.9 19.9 -0.9 90 91 A E H ><5S+ 0 0 0 -4,-2.5 3,-1.9 -5,-0.3 279,-0.3 0.914 105.6 56.4 -64.7 -43.4 1.1 20.5 -4.6 91 92 A I H 3<5S+ 0 0 0 -4,-2.1 278,-1.6 1,-0.3 -1,-0.2 0.869 106.7 51.5 -53.4 -39.0 -1.1 17.3 -4.7 92 93 A M T 3<5S- 0 0 0 -4,-1.6 131,-2.8 276,-0.1 -1,-0.3 0.228 134.6 -82.1 -92.8 15.5 -3.1 18.8 -1.8 93 94 A G T < 5S+ 0 0 2 -3,-1.9 290,-1.0 1,-0.3 289,-0.3 0.497 87.9 116.0 112.3 9.1 -3.7 22.1 -3.5 94 95 A L < - 0 0 10 -5,-2.1 2,-0.4 -8,-0.1 -1,-0.3 -0.431 51.0-140.3-100.9 173.2 -0.7 24.3 -3.1 95 96 A Y - 0 0 93 124,-0.3 2,-0.7 -2,-0.1 -9,-0.0 -0.981 17.4-159.0-130.4 126.3 2.0 25.9 -5.3 96 97 A I + 0 0 1 -2,-0.4 -16,-1.7 1,-0.2 -15,-0.5 -0.882 17.4 174.4-114.0 106.0 5.5 25.9 -3.9 97 98 A D + 0 0 96 -2,-0.7 -1,-0.2 -18,-0.2 -11,-0.0 0.840 69.4 64.0 -71.9 -36.9 8.0 28.5 -5.4 98 99 A T S S- 0 0 33 -18,-0.1 -1,-0.1 -17,-0.0 2,-0.1 -0.833 78.8-147.0-102.0 112.5 10.8 27.7 -3.0 99 100 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.378 15.6-114.2 -79.9 155.0 12.3 24.2 -3.3 100 101 A F - 0 0 11 -2,-0.1 2,-0.2 88,-0.1 -18,-0.2 -0.675 38.5-130.4 -84.1 142.4 13.7 22.1 -0.5 101 102 A Q - 0 0 74 88,-3.4 90,-0.3 -2,-0.3 2,-0.3 -0.600 12.0-150.6-100.6 153.5 17.4 21.4 -0.9 102 103 A V - 0 0 43 -2,-0.2 54,-0.1 54,-0.1 52,-0.1 -0.848 8.3-149.5-116.0 160.5 19.6 18.3 -0.7 103 104 A F > + 0 0 16 50,-0.4 3,-2.2 52,-0.4 49,-0.1 -0.541 24.4 164.6-135.6 67.4 23.3 18.3 0.3 104 105 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.683 88.7 39.4 -61.2 -21.0 25.4 15.6 -1.4 105 106 A E T 3 S- 0 0 184 1,-0.4 2,-0.1 22,-0.1 -2,-0.0 0.138 122.7-102.4-112.8 17.6 28.6 17.4 -0.3 106 107 A G < - 0 0 10 -3,-2.2 -1,-0.4 2,-0.0 21,-0.1 -0.245 55.9 -39.3 88.7-178.9 27.4 18.4 3.1 107 108 A F - 0 0 8 1,-0.1 81,-0.1 43,-0.1 -4,-0.0 -0.498 65.5 -95.1 -85.6 147.9 26.1 21.7 4.5 108 109 A P >> - 0 0 41 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.287 30.7-122.2 -57.4 143.6 27.5 25.2 3.7 109 110 A K H 3> S+ 0 0 137 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.875 109.7 63.6 -54.2 -41.5 30.1 26.5 6.2 110 111 A E H 3> S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.863 104.3 45.0 -52.1 -44.7 27.9 29.5 6.8 111 112 A L H <> S+ 0 0 3 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.932 115.3 46.2 -66.9 -47.5 25.0 27.5 8.2 112 113 A L H X S+ 0 0 15 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.850 109.3 55.9 -66.6 -35.9 27.2 25.3 10.5 113 114 A D H X S+ 0 0 66 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.915 109.4 46.3 -59.3 -44.8 29.1 28.4 11.7 114 115 A E H X S+ 0 0 79 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.888 110.2 52.8 -68.8 -38.1 25.8 30.0 12.9 115 116 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 6,-0.3 0.909 112.0 46.0 -62.1 -42.7 24.7 26.7 14.5 116 117 A E H X>S+ 0 0 69 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.912 111.3 53.4 -60.5 -44.4 28.0 26.6 16.4 117 118 A E H <5S+ 0 0 151 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 114.4 40.6 -61.4 -37.1 27.6 30.3 17.3 118 119 A K H <5S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.766 123.1 37.4 -83.9 -28.1 24.1 29.8 18.8 119 120 A T H <5S- 0 0 29 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.721 91.3-131.9 -98.0 -26.4 24.8 26.5 20.6 120 121 A G T <5S+ 0 0 73 -4,-2.6 2,-0.3 1,-0.3 -3,-0.1 0.737 70.7 115.5 74.1 24.1 28.3 26.9 22.0 121 122 A R < - 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