==== 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 22-SEP-11 3TWZ . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR T.P.PANOSIAN,D.P.NANNEMAN,B.O.BACHMANN,T.M.IVERSON . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.7 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 1 1 1 2 0 0 2 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 0 2 1 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 . 3 0 2 2 1 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 1 0 0 1 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 3 A K 0 0 110 0, 0.0 2,-0.4 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 -63.2 2.2 10.3 -3.1 2 4 A Y - 0 0 12 1,-0.1 316,-0.2 372,-0.1 3,-0.1 -0.924 360.0-164.1-111.1 133.7 3.1 8.2 -6.1 3 5 A K S S+ 0 0 64 314,-2.3 271,-1.7 -2,-0.4 2,-0.4 0.838 83.2 24.7 -76.7 -37.0 6.7 7.5 -7.2 4 6 A R E -ab 274 318A 4 313,-1.5 315,-2.2 269,-0.2 2,-0.5 -0.993 63.8-162.3-134.9 134.9 5.7 6.4 -10.7 5 7 A I E -ab 275 319A 0 269,-2.3 271,-2.9 -2,-0.4 2,-0.7 -0.989 7.1-159.5-116.8 126.4 2.7 7.2 -12.8 6 8 A F E -ab 276 320A 2 313,-3.4 315,-3.4 -2,-0.5 2,-0.6 -0.933 11.0-169.4-106.4 109.8 1.9 4.9 -15.7 7 9 A L E -ab 277 321A 0 269,-3.1 271,-3.2 -2,-0.7 2,-0.6 -0.909 1.9-170.0-106.7 121.6 -0.3 6.7 -18.2 8 10 A V E -ab 278 322A 1 313,-3.5 315,-2.9 -2,-0.6 2,-0.7 -0.945 6.3-164.8-115.2 117.1 -1.9 4.7 -21.0 9 11 A V E -ab 279 323A 0 269,-3.2 271,-3.0 -2,-0.6 2,-1.0 -0.908 8.4-156.9 -98.0 113.6 -3.6 6.3 -23.9 10 12 A M E > -a 280 0A 1 313,-3.3 3,-1.7 -2,-0.7 315,-0.4 -0.828 35.6-123.4 -82.6 106.4 -5.8 3.8 -25.9 11 13 A D T 3 S- 0 0 0 269,-2.2 273,-0.2 -2,-1.0 3,-0.1 -0.391 80.7 -7.6 -69.0 121.7 -5.7 5.9 -29.0 12 14 A S T 3 S+ 0 0 0 -2,-0.2 2,-2.1 1,-0.2 316,-0.7 0.464 84.9 143.4 79.2 5.9 -9.2 6.8 -30.3 13 15 A V < - 0 0 2 -3,-1.7 -1,-0.2 314,-0.2 314,-0.2 -0.489 31.6-179.1 -81.7 77.3 -11.0 4.6 -27.8 14 16 A G - 0 0 0 -2,-2.1 18,-2.3 328,-0.1 328,-0.2 -0.355 29.2-149.3 -80.0 157.2 -14.0 6.9 -27.2 15 17 A I - 0 0 1 326,-2.9 327,-0.1 1,-0.4 -1,-0.1 -0.055 65.8 -45.3-121.4 32.1 -16.9 6.3 -24.9 16 18 A G S S- 0 0 8 325,-0.3 325,-2.9 2,-0.0 -1,-0.4 -0.110 80.0 -48.5 120.1 149.7 -19.8 8.1 -26.6 17 19 A E B -I 340 0B 76 12,-2.1 323,-0.3 323,-0.3 10,-0.1 -0.077 55.7-127.7 -49.2 134.3 -20.6 11.4 -28.4 18 20 A A > - 0 0 4 321,-1.9 3,-2.0 1,-0.1 4,-0.2 -0.323 29.2 -99.9 -75.7 164.5 -19.5 14.6 -26.6 19 21 A P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.800 125.9 44.1 -56.4 -30.3 -22.0 17.5 -25.9 20 22 A D T > S+ 0 0 50 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.159 76.7 117.4-100.9 18.6 -20.5 19.4 -28.9 21 23 A A G X > + 0 0 1 -3,-2.0 5,-2.3 1,-0.3 3,-1.7 0.827 67.0 64.4 -51.9 -39.0 -20.4 16.4 -31.2 22 24 A E G > 5S+ 0 0 141 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.793 89.0 67.6 -60.4 -29.5 -22.9 18.0 -33.7 23 25 A Q G < 5S+ 0 0 168 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.802 109.5 37.4 -56.7 -29.5 -20.3 20.8 -34.4 24 26 A F G < 5S- 0 0 57 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.324 118.3-107.1-105.0 2.3 -18.2 18.0 -36.1 25 27 A G T < 5S+ 0 0 54 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.812 83.5 128.8 70.1 32.4 -21.1 16.1 -37.7 26 28 A D > < + 0 0 5 -5,-2.3 3,-1.9 -6,-0.1 -4,-0.2 0.177 19.2 139.9-110.0 15.0 -20.5 13.4 -35.0 27 29 A L T 3 S+ 0 0 94 1,-0.2 3,-0.1 -6,-0.2 -7,-0.0 -0.315 72.0 27.4 -54.0 140.6 -23.9 12.8 -33.6 28 30 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 304,-0.1 2,-0.1 0.235 87.0 144.7 88.2 -12.3 -24.5 9.1 -32.9 29 31 A S < + 0 0 1 -3,-1.9 -12,-2.1 310,-0.1 -1,-0.3 -0.384 11.0 154.8 -70.1 134.1 -20.8 8.4 -32.4 30 32 A D > - 0 0 18 -14,-0.3 4,-2.5 -2,-0.1 5,-0.3 -0.671 16.6-174.7-161.1 91.5 -19.9 5.7 -29.8 31 33 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.980 85.9 30.3 -61.4 -67.3 -16.6 3.9 -30.3 32 34 A I H > S+ 0 0 4 -18,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.900 121.1 54.4 -60.7 -41.1 -16.6 1.3 -27.6 33 35 A G H > S+ 0 0 2 -19,-0.2 4,-2.0 1,-0.2 26,-0.3 0.906 110.8 43.1 -60.8 -46.0 -20.4 1.0 -27.7 34 36 A H H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.832 114.2 50.9 -72.8 -33.2 -20.7 0.3 -31.4 35 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.945 109.9 50.9 -64.8 -48.4 -17.7 -2.2 -31.3 36 38 A A H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 4,-0.4 0.895 110.6 49.1 -52.9 -44.8 -19.4 -4.0 -28.3 37 39 A E H ><5S+ 0 0 107 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.878 112.8 47.5 -63.5 -40.7 -22.6 -4.2 -30.4 38 40 A H H 3<5S+ 0 0 85 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 111.3 49.6 -67.9 -40.1 -20.7 -5.6 -33.4 39 41 A M T 3<5S- 0 0 31 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.515 109.6-123.0 -73.7 -5.2 -18.8 -8.1 -31.3 40 42 A N T < 5S- 0 0 125 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.936 91.3 -3.0 52.5 49.7 -22.1 -9.3 -29.7 41 43 A G S + 0 0 4 -2,-1.0 4,-2.3 16,-0.4 5,-0.2 -0.447 12.9 156.7-130.4 60.2 -12.8 -6.9 -21.6 45 47 A P H > S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.785 73.7 51.4 -61.9 -30.0 -13.0 -8.5 -18.1 46 48 A N H > S+ 0 0 22 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.903 110.2 46.6 -77.3 -40.8 -9.9 -6.6 -16.8 47 49 A M H >>S+ 0 0 2 2,-0.2 5,-2.4 1,-0.2 4,-1.1 0.889 112.3 53.5 -61.7 -38.6 -11.1 -3.2 -17.9 48 50 A V H ><5S+ 0 0 22 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.904 105.2 53.6 -59.8 -43.0 -14.5 -4.2 -16.3 49 51 A K H 3<5S+ 0 0 113 -4,-1.9 19,-2.7 1,-0.2 -1,-0.2 0.834 106.5 52.3 -62.5 -33.2 -12.7 -5.0 -13.1 50 52 A L H 3<5S- 0 0 1 -4,-1.5 19,-0.9 17,-0.2 -1,-0.2 0.726 130.6 -94.9 -73.0 -25.4 -11.1 -1.5 -13.1 51 53 A G T XX5S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.6 3,-0.7 0.557 77.2 140.0 121.3 17.7 -14.6 -0.0 -13.5 52 54 A L H >> -J 61 0C 18 3,-2.1 3,-2.7 -2,-0.5 2,-0.2 -0.837 50.6 -57.3-136.3 169.6 -22.2 -1.6 -22.9 59 61 A K T 3 S+ 0 0 108 1,-0.3 -17,-2.4 -26,-0.3 -18,-0.2 -0.332 127.8 0.3 -59.6 119.2 -22.7 -5.0 -24.5 60 62 A G T 3 S+ 0 0 48 -19,-0.3 2,-0.5 -2,-0.2 -16,-0.4 0.383 116.2 96.1 82.7 -2.7 -20.5 -7.5 -22.6 61 63 A I B < +J 58 0C 0 -3,-2.7 -3,-2.1 -18,-0.1 2,-0.2 -0.881 51.9 169.1-125.0 97.2 -19.3 -4.6 -20.3 62 64 A S - 0 0 70 -2,-0.5 -9,-0.5 -5,-0.2 -8,-0.3 -0.689 36.6 -96.7-109.1 160.5 -21.2 -4.4 -17.0 63 65 A K - 0 0 128 -10,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.280 33.2-142.3 -68.7 157.6 -20.7 -2.4 -13.8 64 66 A V - 0 0 38 -16,-0.2 -1,-0.0 1,-0.1 -15,-0.0 -0.937 13.0-132.6-121.4 150.0 -19.0 -4.0 -10.8 65 67 A E S S+ 0 0 196 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.888 102.4 27.5 -68.0 -41.4 -19.8 -3.5 -7.2 66 68 A K S S- 0 0 152 -3,-0.1 -1,-0.3 288,-0.0 290,-0.1 -0.775 80.2-161.7-124.8 86.3 -16.2 -2.9 -6.1 67 69 A P - 0 0 4 0, 0.0 288,-2.4 0, 0.0 -17,-0.2 -0.356 25.2-124.6 -63.1 145.2 -14.1 -1.5 -9.0 68 70 A L S S+ 0 0 56 -19,-2.7 280,-0.3 286,-0.2 286,-0.2 0.840 86.6 0.1 -59.5 -35.5 -10.3 -1.9 -8.5 69 71 A G S S- 0 0 1 -19,-0.9 286,-0.5 -20,-0.2 278,-0.2 -0.680 93.3 -61.7-139.4-167.1 -9.9 1.9 -8.9 70 72 A Y E -C 346 0A 22 276,-2.6 276,-2.4 285,-0.2 2,-0.3 -0.470 49.0-169.1 -86.6 156.6 -11.6 5.2 -9.6 71 73 A Y E +Cd 345 357A 26 285,-1.6 287,-2.7 274,-0.2 2,-0.3 -0.990 22.5 122.7-150.2 150.9 -13.5 5.9 -12.7 72 74 A T E -C 344 0A 5 272,-1.8 272,-2.5 -2,-0.3 2,-0.3 -0.936 46.3 -99.2-177.3-173.8 -15.2 8.6 -14.8 73 75 A K E -C 343 0A 46 -2,-0.3 288,-2.3 270,-0.2 2,-0.4 -0.855 26.0-131.4-120.5 166.5 -15.1 10.1 -18.3 74 76 A M E -Ce 342 361A 0 268,-2.7 268,-1.9 -2,-0.3 2,-0.4 -0.942 7.0-145.2-119.7 142.6 -13.4 13.3 -19.6 75 77 A Q - 0 0 43 286,-3.1 2,-0.4 -2,-0.4 289,-0.2 -0.865 22.2-125.2-102.2 135.0 -14.8 16.0 -21.9 76 78 A E - 0 0 2 -2,-0.4 287,-0.1 264,-0.2 10,-0.1 -0.689 23.5-177.5 -83.6 128.0 -12.5 17.7 -24.4 77 79 A K + 0 0 120 -2,-0.4 -1,-0.1 0, 0.0 286,-0.1 0.789 53.8 92.9 -92.4 -34.4 -12.3 21.5 -24.2 78 80 A S S S- 0 0 0 15,-0.1 18,-0.2 7,-0.1 -2,-0.0 -0.201 83.6-114.8 -63.7 155.0 -10.0 22.2 -27.1 79 81 A T S S+ 0 0 53 16,-1.8 2,-0.1 2,-0.0 17,-0.1 0.836 88.7 59.1 -59.6 -40.8 -11.5 23.0 -30.5 80 82 A G - 0 0 3 15,-0.5 15,-0.1 1,-0.1 -2,-0.1 -0.444 60.5-149.3 -99.4 165.0 -10.2 20.0 -32.5 81 83 A K + 0 0 21 18,-0.2 257,-0.1 -2,-0.1 246,-0.1 0.192 58.9 119.5-112.5 11.8 -10.5 16.2 -32.3 82 84 A D S > S- 0 0 14 17,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.261 76.2-105.8 -75.0 167.1 -7.1 15.3 -33.7 83 85 A X H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.856 117.3 50.1 -64.0 -42.6 -4.4 13.3 -31.9 84 86 A M H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.951 110.9 49.2 -64.0 -47.9 -2.1 16.2 -31.2 85 87 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.930 113.6 47.4 -51.8 -50.0 -4.9 18.4 -29.8 86 88 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.919 116.3 42.1 -62.1 -46.7 -6.0 15.5 -27.5 87 89 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.879 112.7 53.0 -70.8 -39.5 -2.6 14.7 -26.2 88 90 A W H <>S+ 0 0 0 -4,-3.0 5,-2.0 -5,-0.2 -1,-0.2 0.907 111.7 47.1 -62.9 -40.1 -1.6 18.3 -25.8 89 91 A E H ><5S+ 0 0 0 -4,-2.4 3,-2.0 -5,-0.3 279,-0.3 0.914 106.3 57.7 -66.0 -44.5 -4.7 18.9 -23.7 90 92 A I H 3<5S+ 0 0 0 -4,-2.3 278,-1.4 1,-0.3 -1,-0.2 0.846 106.6 50.8 -52.4 -35.8 -4.0 15.7 -21.6 91 93 A M T 3<5S- 0 0 0 -4,-1.6 131,-2.7 276,-0.1 -1,-0.3 0.167 134.5 -80.9 -97.2 18.5 -0.6 17.3 -20.7 92 94 A G T < 5S+ 0 0 2 -3,-2.0 290,-1.0 1,-0.3 289,-0.3 0.469 88.6 115.2 111.4 6.9 -2.0 20.6 -19.6 93 95 A L < - 0 0 11 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.462 51.0-140.8-103.9 172.0 -2.7 22.8 -22.6 94 96 A Y - 0 0 89 124,-0.3 2,-0.6 -2,-0.1 -9,-0.0 -0.989 16.9-159.6-131.9 125.1 -5.7 24.3 -24.4 95 97 A I + 0 0 0 -2,-0.4 -16,-1.8 1,-0.1 -15,-0.5 -0.891 17.4 174.6-117.3 107.2 -5.7 24.3 -28.2 96 98 A D + 0 0 97 -2,-0.6 -1,-0.1 -18,-0.2 -11,-0.0 0.804 69.0 66.2 -75.9 -32.7 -7.9 26.8 -30.0 97 99 A T S S- 0 0 35 -18,-0.1 -1,-0.1 -17,-0.0 2,-0.1 -0.848 78.1-144.8-102.8 113.0 -6.7 26.0 -33.5 98 100 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.367 14.8-118.2 -75.3 150.5 -7.4 22.5 -34.8 99 101 A F - 0 0 12 -2,-0.1 2,-0.2 88,-0.1 -18,-0.2 -0.654 37.6-130.0 -81.7 146.1 -5.2 20.4 -37.0 100 102 A Q - 0 0 60 88,-3.3 90,-0.4 -2,-0.3 2,-0.3 -0.655 14.1-153.3-106.0 155.0 -6.8 19.6 -40.3 101 103 A V - 0 0 39 -2,-0.2 54,-0.1 54,-0.1 52,-0.1 -0.864 7.6-150.8-120.0 159.9 -7.3 16.5 -42.4 102 104 A F > + 0 0 15 52,-0.4 3,-2.0 50,-0.4 49,-0.1 -0.609 21.3 168.5-137.6 72.5 -7.7 16.4 -46.1 103 105 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.722 89.9 38.5 -61.6 -22.8 -9.9 13.5 -47.5 104 106 A E T 3 S- 0 0 164 1,-0.5 2,-0.1 22,-0.1 -2,-0.0 0.235 123.2-101.4-108.0 13.6 -9.9 15.1 -50.9 105 107 A G < - 0 0 11 -3,-2.0 -1,-0.5 2,-0.0 21,-0.1 -0.368 56.8 -38.9 93.8-176.7 -6.3 16.3 -50.9 106 108 A F - 0 0 6 1,-0.1 81,-0.1 -2,-0.1 -4,-0.0 -0.476 66.8 -91.8 -89.1 152.1 -4.9 19.8 -50.2 107 109 A P > - 0 0 48 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.256 30.1-121.0 -63.2 148.8 -6.3 23.1 -51.4 108 110 A K H > S+ 0 0 151 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.857 111.0 61.0 -55.8 -40.2 -5.1 24.6 -54.7 109 111 A E H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 107.1 45.3 -56.0 -43.3 -3.8 27.7 -53.0 110 112 A L H > S+ 0 0 2 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.939 115.1 44.9 -66.3 -48.8 -1.3 25.6 -50.9 111 113 A L H X S+ 0 0 14 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.862 109.7 55.8 -70.5 -33.7 -0.1 23.4 -53.7 112 114 A D H X S+ 0 0 63 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.900 109.8 46.6 -60.3 -43.3 0.3 26.4 -56.1 113 115 A E H X S+ 0 0 83 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.882 111.7 50.8 -68.3 -37.9 2.6 28.1 -53.5 114 116 A L H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 6,-0.3 0.918 111.3 48.6 -63.6 -43.6 4.6 24.9 -53.0 115 117 A E H X>S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.2 5,-0.7 0.910 111.9 49.4 -59.8 -44.5 5.0 24.6 -56.8 116 118 A E H <5S+ 0 0 164 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 114.1 45.0 -64.0 -39.3 6.1 28.2 -57.0 117 119 A K H <5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.699 122.9 34.5 -78.7 -21.5 8.7 27.8 -54.1 118 120 A T H <5S- 0 0 28 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.626 94.2-130.8-107.2 -20.9 10.1 24.5 -55.4 119 121 A G T <5S+ 0 0 71 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.795 74.4 106.4 67.9 29.0 10.0 24.9 -59.2 120 122 A R S - 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