==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JUL-13 4LRF . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR W.A.BIRMINGHAM,C.A.STARBIRD,T.D.PANOSIAN,D.P.NANNEMANN,T.M.I . 1171 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 805 68.7 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 . 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 . 293 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.0 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 1 5 4 0 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 0 113 0, 0.0 3,-0.1 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 142.7 -21.3 13.8 -2.1 2 3 A K + 0 0 90 373,-0.6 2,-0.4 1,-0.2 374,-0.1 0.930 360.0 27.8 -67.8 -47.7 -20.6 12.0 -5.3 3 4 A Y - 0 0 6 372,-0.1 -1,-0.2 1,-0.1 316,-0.2 -0.959 64.6-161.4-114.2 135.0 -18.2 9.8 -3.5 4 5 A K S S+ 0 0 62 314,-2.2 271,-1.7 -2,-0.4 2,-0.4 0.853 83.4 24.9 -76.4 -37.7 -18.5 9.0 0.3 5 6 A R E -ab 275 319A 9 313,-1.5 315,-2.4 269,-0.2 2,-0.5 -0.991 63.1-163.6-133.5 137.0 -14.8 7.9 0.5 6 7 A I E -ab 276 320A 0 269,-2.2 271,-2.8 -2,-0.4 2,-0.6 -0.990 6.5-160.4-120.7 125.6 -11.7 8.7 -1.5 7 8 A F E -ab 277 321A 1 313,-3.0 315,-3.4 -2,-0.5 2,-0.6 -0.933 10.8-169.3-104.5 112.6 -8.7 6.5 -1.2 8 9 A L E -ab 278 322A 0 269,-3.1 271,-3.0 -2,-0.6 2,-0.5 -0.934 1.5-170.3-110.4 121.3 -5.6 8.3 -2.4 9 10 A V E -ab 279 323A 2 313,-3.2 315,-2.6 -2,-0.6 2,-0.7 -0.952 7.0-163.3-114.8 116.9 -2.4 6.3 -2.9 10 11 A V E -ab 280 324A 0 269,-3.4 271,-3.0 -2,-0.5 2,-1.1 -0.897 7.8-156.8 -96.3 115.3 0.9 8.0 -3.6 11 12 A M E > -a 281 0A 1 313,-3.1 3,-1.9 -2,-0.7 315,-0.4 -0.820 36.1-124.1 -85.6 101.4 3.5 5.5 -4.9 12 13 A D T 3 S- 0 0 0 269,-1.8 273,-0.2 -2,-1.1 3,-0.1 -0.304 79.6 -6.5 -65.9 123.4 6.4 7.6 -3.8 13 14 A S T 3 S+ 0 0 0 1,-0.2 2,-2.1 -2,-0.1 316,-0.9 0.455 84.4 144.5 78.4 5.4 8.8 8.6 -6.6 14 15 A V < - 0 0 1 -3,-1.9 314,-0.2 314,-0.2 -1,-0.2 -0.467 30.3-178.2 -80.9 76.2 7.1 6.4 -9.2 15 16 A G - 0 0 0 -2,-2.1 18,-2.3 328,-0.1 328,-0.2 -0.295 27.8-151.7 -78.0 156.9 7.7 8.7 -12.2 16 17 A I - 0 0 1 326,-2.6 327,-0.1 1,-0.4 -1,-0.1 -0.026 66.0 -44.4-123.6 31.3 6.5 8.1 -15.7 17 18 A G S S- 0 0 10 325,-0.3 325,-2.8 322,-0.1 -1,-0.4 -0.065 80.5 -49.0 120.2 147.4 9.1 9.9 -17.8 18 19 A E B -I 341 0B 75 12,-2.5 323,-0.3 323,-0.3 10,-0.1 0.004 56.6-127.2 -45.5 135.3 11.0 13.2 -17.9 19 20 A A > - 0 0 5 321,-2.5 3,-1.9 1,-0.1 4,-0.2 -0.323 29.1 -98.7 -79.5 166.8 8.9 16.4 -17.5 20 21 A P T 3 S+ 0 0 82 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.795 125.7 45.2 -57.3 -28.7 9.0 19.3 -20.0 21 22 A D T >> S+ 0 0 32 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.141 76.6 117.8-100.1 21.0 11.3 21.2 -17.6 22 23 A A G X4> + 0 0 0 -3,-1.9 5,-2.6 1,-0.2 3,-1.1 0.794 64.7 65.1 -59.8 -31.2 13.6 18.2 -16.9 23 24 A E G >45S+ 0 0 148 -3,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.862 93.9 60.1 -62.4 -37.3 16.8 19.9 -18.4 24 25 A Q G <45S+ 0 0 163 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.756 110.6 42.9 -55.9 -29.2 16.7 22.7 -15.7 25 26 A F G <<5S- 0 0 47 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.269 116.8-108.6-103.4 4.9 17.1 19.9 -13.0 26 27 A G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.837 84.2 123.9 64.7 35.4 19.7 17.8 -14.8 27 28 A D > < + 0 0 4 -5,-2.6 3,-1.9 -6,-0.1 -4,-0.2 0.115 21.5 141.6-117.4 21.9 17.1 15.1 -15.5 28 29 A L T 3 S+ 0 0 96 -6,-0.3 -7,-0.0 1,-0.2 -9,-0.0 -0.412 74.9 23.7 -57.8 136.8 17.1 14.7 -19.3 29 30 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 304,-0.1 -2,-0.0 0.209 88.4 146.6 91.8 -13.8 16.6 11.0 -20.1 30 31 A S < + 0 0 1 -3,-1.9 -12,-2.5 310,-0.1 -1,-0.3 -0.233 10.1 154.6 -64.9 144.1 14.9 10.2 -16.8 31 32 A D > - 0 0 20 -14,-0.3 4,-2.3 301,-0.1 5,-0.3 -0.524 16.4-175.0-169.6 88.0 12.1 7.5 -16.8 32 33 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.980 86.3 30.7 -57.7 -65.1 11.5 5.7 -13.5 33 34 A I H > S+ 0 0 3 -18,-2.3 4,-3.0 1,-0.2 5,-0.2 0.929 121.2 52.4 -63.5 -44.6 8.9 3.1 -14.5 34 35 A G H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 26,-0.3 0.882 110.9 45.4 -61.4 -41.6 10.3 2.8 -18.1 35 36 A H H X S+ 0 0 44 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.897 114.1 49.5 -70.6 -39.8 13.9 2.1 -17.1 36 37 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.921 109.0 52.8 -60.1 -46.4 12.8 -0.4 -14.4 37 38 A A H <>S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 4,-0.2 0.882 110.3 48.3 -57.4 -40.4 10.6 -2.2 -16.9 38 39 A E H ><5S+ 0 0 133 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.937 111.6 49.1 -65.9 -45.8 13.6 -2.5 -19.2 39 40 A H H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.888 111.4 49.6 -58.7 -40.6 15.8 -3.8 -16.4 40 41 A M T 3<5S- 0 0 32 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.456 110.3-122.4 -77.7 -0.9 13.1 -6.3 -15.4 41 42 A N T < 5S- 0 0 122 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.912 91.5 -6.1 52.4 44.4 12.8 -7.5 -19.0 42 43 A G S + 0 0 4 -2,-0.9 4,-2.2 16,-0.4 5,-0.2 -0.492 12.8 159.7-130.7 63.5 1.9 -5.2 -13.1 46 47 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.773 73.9 51.3 -61.9 -27.5 -1.3 -6.8 -14.5 47 48 A N H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.916 110.1 46.1 -79.2 -44.0 -3.6 -4.9 -12.1 48 49 A M H >>S+ 0 0 1 2,-0.2 5,-2.6 1,-0.2 4,-1.1 0.854 113.0 54.0 -57.7 -38.4 -2.1 -1.4 -12.8 49 50 A V H ><5S+ 0 0 22 -4,-2.2 3,-0.5 3,-0.2 6,-0.2 0.923 105.6 51.9 -60.5 -46.6 -2.4 -2.5 -16.5 50 51 A K H 3<5S+ 0 0 120 -4,-2.0 19,-2.7 1,-0.2 -1,-0.2 0.829 107.6 52.8 -60.0 -32.2 -6.1 -3.3 -16.0 51 52 A L H 3<5S- 0 0 2 -4,-1.5 19,-1.0 17,-0.2 -1,-0.2 0.756 130.1 -95.7 -74.6 -26.9 -6.6 0.2 -14.5 52 53 A G T > -J 62 0C 17 3,-2.2 3,-2.7 -2,-0.3 2,-0.1 -0.870 49.6 -57.0-140.4 168.3 6.4 0.3 -21.4 60 61 A K T 3 S- 0 0 107 1,-0.3 -17,-2.1 -2,-0.3 -18,-0.2 -0.292 127.4 -2.4 -58.3 119.2 8.1 -3.1 -21.4 61 62 A G T 3 S+ 0 0 51 -19,-0.3 2,-0.6 -2,-0.1 -16,-0.4 0.370 115.3 98.9 80.2 -4.4 5.5 -5.6 -20.1 62 63 A I B < +J 59 0C 0 -3,-2.7 -3,-2.2 -18,-0.1 2,-0.2 -0.877 53.2 173.5-118.8 96.1 3.0 -2.8 -19.6 63 64 A S - 0 0 68 -2,-0.6 -9,-0.5 -5,-0.2 -8,-0.3 -0.666 33.6-102.2-105.3 156.9 0.6 -2.7 -22.5 64 65 A K - 0 0 132 -10,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.332 32.9-141.4 -71.1 157.0 -2.6 -0.6 -23.1 65 66 A V - 0 0 37 -16,-0.2 -1,-0.0 1,-0.1 -15,-0.0 -0.930 13.5-131.5-121.5 149.8 -6.0 -2.2 -22.7 66 67 A E S S+ 0 0 213 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.861 103.4 26.3 -66.2 -36.2 -9.1 -1.7 -24.8 67 68 A K S S- 0 0 142 -3,-0.0 -1,-0.3 290,-0.0 290,-0.1 -0.694 79.7-161.9-131.9 78.5 -11.4 -1.1 -21.7 68 69 A P - 0 0 5 0, 0.0 288,-2.1 0, 0.0 -17,-0.2 -0.301 24.8-125.2 -61.4 146.8 -9.4 0.3 -18.7 69 70 A L S S+ 0 0 55 -19,-2.7 280,-0.3 286,-0.2 286,-0.2 0.839 86.2 4.0 -61.2 -37.5 -11.2 -0.1 -15.4 70 71 A G S S- 0 0 0 -19,-1.0 286,-0.6 -20,-0.2 278,-0.2 -0.636 93.2 -66.1-135.1-168.7 -10.9 3.6 -14.6 71 72 A Y E -C 347 0A 33 276,-2.7 276,-2.7 285,-0.2 2,-0.3 -0.491 49.0-170.0 -87.9 157.7 -9.8 6.9 -16.0 72 73 A Y E +Cd 346 358A 28 285,-1.6 287,-2.5 274,-0.2 2,-0.3 -0.996 22.3 124.8-152.5 148.1 -6.2 7.7 -16.7 73 74 A T E -C 345 0A 8 272,-1.9 272,-2.2 -2,-0.3 2,-0.3 -0.924 46.0 -99.4-171.7-168.0 -3.7 10.4 -17.6 74 75 A K E -C 344 0A 48 -2,-0.3 288,-2.5 270,-0.2 2,-0.4 -0.861 25.7-131.8-123.6 171.1 -0.5 11.9 -16.2 75 76 A M E -Ce 343 362A 0 268,-2.7 268,-2.0 -2,-0.3 2,-0.4 -0.952 7.2-145.4-123.7 145.2 0.3 15.0 -14.2 76 77 A Q - 0 0 51 286,-3.2 2,-0.4 -2,-0.4 289,-0.2 -0.893 21.4-124.5-107.8 136.0 2.8 17.7 -14.6 77 78 A E - 0 0 3 -2,-0.4 287,-0.1 264,-0.2 10,-0.1 -0.647 24.4-179.7 -80.7 131.1 4.5 19.4 -11.6 78 79 A K + 0 0 120 -2,-0.4 -1,-0.1 0, 0.0 286,-0.1 0.797 54.2 90.4 -99.2 -35.0 4.2 23.2 -11.5 79 80 A S S S- 0 0 0 15,-0.1 18,-0.2 7,-0.1 -2,-0.0 -0.147 84.0-115.9 -60.1 160.1 6.1 23.9 -8.2 80 81 A T S S+ 0 0 52 16,-2.1 17,-0.1 2,-0.0 -1,-0.1 0.880 87.5 66.8 -67.5 -42.5 9.8 24.6 -8.4 81 82 A G - 0 0 3 15,-0.5 15,-0.1 17,-0.1 20,-0.1 -0.306 59.7-152.3 -87.8 165.7 11.1 21.6 -6.4 82 83 A K + 0 0 23 18,-0.2 257,-0.1 -2,-0.1 246,-0.1 0.040 60.4 115.3-119.5 21.8 11.1 17.8 -7.1 83 84 A D S > S- 0 0 17 255,-0.1 4,-2.3 17,-0.1 5,-0.2 -0.336 78.5-104.7 -88.5 171.2 11.2 16.8 -3.4 84 85 A X H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.898 117.5 50.1 -65.4 -44.0 8.5 14.9 -1.4 85 86 A M H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.948 111.7 47.8 -63.3 -48.8 7.2 17.8 0.5 86 87 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.942 114.1 47.6 -53.0 -53.1 6.8 20.0 -2.7 87 88 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 116.4 42.5 -56.1 -50.3 5.0 17.1 -4.5 88 89 A H H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.887 112.4 52.5 -65.7 -41.3 2.6 16.4 -1.6 89 90 A W H <>S+ 0 0 0 -4,-3.0 5,-2.0 -5,-0.3 -2,-0.2 0.902 112.4 46.5 -63.8 -37.8 1.9 20.0 -0.9 90 91 A E H ><5S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.3 279,-0.3 0.930 106.8 57.8 -66.7 -46.0 1.0 20.6 -4.5 91 92 A I H 3<5S+ 0 0 0 -4,-2.4 278,-1.4 1,-0.3 -2,-0.2 0.872 106.4 50.7 -50.3 -40.9 -1.2 17.4 -4.6 92 93 A M T 3<5S- 0 0 0 -4,-1.9 131,-2.3 276,-0.1 -1,-0.3 0.048 134.9 -80.9 -94.0 27.2 -3.2 18.9 -1.8 93 94 A G T < 5S+ 0 0 3 -3,-2.2 290,-0.9 1,-0.3 289,-0.4 0.516 87.8 117.7 100.5 9.8 -3.8 22.3 -3.5 94 95 A L < - 0 0 12 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.487 50.0-142.0-103.0 171.5 -0.7 24.5 -3.0 95 96 A Y - 0 0 89 124,-0.3 2,-0.6 -2,-0.2 -9,-0.0 -0.986 17.1-161.1-129.3 127.2 2.0 26.1 -5.2 96 97 A I + 0 0 1 -2,-0.4 -16,-2.1 1,-0.1 -15,-0.5 -0.907 16.5 174.6-117.3 108.2 5.5 26.1 -3.9 97 98 A D + 0 0 94 -2,-0.6 -1,-0.1 -18,-0.2 0, 0.0 0.819 66.5 68.8 -76.1 -35.7 8.0 28.5 -5.4 98 99 A T S S- 0 0 35 -18,-0.1 2,-0.1 -17,-0.0 -1,-0.1 -0.798 76.6-145.1 -98.1 115.5 10.9 27.8 -3.0 99 100 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.450 15.7-116.9 -78.5 148.4 12.5 24.4 -3.4 100 101 A F - 0 0 15 -2,-0.1 2,-0.3 88,-0.1 -18,-0.2 -0.622 37.3-128.3 -76.6 145.1 14.0 22.3 -0.5 101 102 A Q - 0 0 77 88,-3.4 90,-0.4 -2,-0.3 2,-0.3 -0.671 13.2-152.4-102.6 147.9 17.7 21.7 -0.9 102 103 A V - 0 0 44 -2,-0.3 54,-0.1 54,-0.1 52,-0.1 -0.873 10.2-148.1-112.7 154.7 19.9 18.6 -0.8 103 104 A F > + 0 0 16 50,-0.4 3,-2.3 52,-0.4 49,-0.1 -0.607 22.9 169.2-129.9 73.2 23.5 18.7 0.2 104 105 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.660 88.7 39.5 -60.5 -17.5 25.8 16.1 -1.5 105 106 A E T 3 S- 0 0 182 1,-0.5 2,-0.1 22,-0.1 -2,-0.0 0.109 121.5-101.0-115.7 23.0 28.9 17.9 -0.1 106 107 A G < - 0 0 9 -3,-2.3 -1,-0.5 2,-0.0 21,-0.1 -0.278 58.4 -40.8 84.2-176.9 27.6 18.7 3.4 107 108 A F - 0 0 7 1,-0.1 81,-0.1 -3,-0.1 -4,-0.0 -0.560 66.5 -93.6 -90.6 148.8 26.2 22.0 4.7 108 109 A P >> - 0 0 38 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.255 31.0-120.4 -58.7 145.6 27.7 25.4 4.0 109 110 A K H 3> S+ 0 0 138 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.865 110.8 62.4 -50.8 -42.2 30.2 26.8 6.6 110 111 A E H 3> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 104.2 45.2 -55.3 -46.5 27.9 29.7 7.2 111 112 A L H <> S+ 0 0 4 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.935 115.6 45.3 -64.6 -49.9 25.0 27.6 8.5 112 113 A L H X S+ 0 0 13 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.856 109.4 56.6 -66.9 -35.7 27.1 25.4 10.8 113 114 A D H X S+ 0 0 67 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.926 109.3 45.8 -56.5 -48.7 29.0 28.5 12.1 114 115 A E H X S+ 0 0 80 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.898 110.9 52.2 -65.5 -40.5 25.7 30.0 13.2 115 116 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 6,-0.3 0.907 112.4 46.5 -59.1 -42.2 24.4 26.8 14.7 116 117 A E H X>S+ 0 0 67 -4,-2.5 4,-2.4 1,-0.2 5,-0.5 0.923 111.6 52.4 -61.9 -44.0 27.7 26.6 16.7 117 118 A E H <5S+ 0 0 153 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.844 113.7 42.0 -62.3 -38.4 27.3 30.2 17.7 118 119 A K H <5S+ 0 0 118 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.763 122.5 37.2 -80.9 -25.7 23.8 29.8 19.0 119 120 A T H <5S- 0 0 30 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.693 91.8-129.9-102.5 -21.8 24.4 26.4 20.8 120 121 A G T <5S+ 0 0 75 -4,-2.4 2,-0.4 1,-0.3 -3,-0.1 0.651 71.5 118.7 74.8 16.8 27.9 26.7 22.3 121 122 A R < - 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