==== 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 3M8Y . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR T.D.PANOSIAN,D.P.NANNEMANN,G.WATKINS,B.WADZINSKI,B.O.BACHMAN . 1171 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 804 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 11.2 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 . 1 0.1 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 . 82 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.8 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 9 0 3 4 4 2 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 1 5 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 0 111 0, 0.0 375,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.0 -21.2 13.6 -2.3 2 3 A K + 0 0 94 373,-0.5 2,-0.4 1,-0.2 374,-0.1 0.913 360.0 27.3 -57.6 -44.7 -20.5 11.9 -5.6 3 4 A Y - 0 0 5 372,-0.2 -1,-0.2 1,-0.1 316,-0.2 -0.984 65.3-160.9-120.5 131.3 -18.1 9.7 -3.8 4 5 A K S S+ 0 0 62 314,-1.9 271,-1.5 -2,-0.4 2,-0.4 0.860 82.9 23.4 -74.6 -37.0 -18.4 8.9 -0.1 5 6 A R E -ab 275 319A 7 313,-1.5 315,-2.4 269,-0.2 2,-0.5 -0.996 63.1-162.6-134.7 136.8 -14.8 7.8 0.3 6 7 A I E -ab 276 320A 0 269,-2.4 271,-2.8 -2,-0.4 2,-0.6 -0.980 5.4-160.9-118.1 127.5 -11.6 8.6 -1.7 7 8 A F E -ab 277 321A 1 313,-3.1 315,-3.5 -2,-0.5 2,-0.6 -0.938 10.0-168.8-107.3 110.8 -8.5 6.4 -1.4 8 9 A L E -ab 278 322A 0 269,-3.1 271,-2.6 -2,-0.6 2,-0.6 -0.908 0.7-167.1-106.7 120.4 -5.5 8.3 -2.6 9 10 A V E -ab 279 323A 3 313,-4.0 315,-2.8 -2,-0.6 2,-0.7 -0.945 6.3-163.7-112.8 114.6 -2.4 6.2 -3.1 10 11 A V E -ab 280 324A 0 269,-3.0 271,-2.8 -2,-0.6 2,-1.1 -0.902 6.3-159.2 -93.4 110.3 1.0 7.9 -3.6 11 12 A M E > -a 281 0A 1 313,-3.1 3,-1.9 -2,-0.7 315,-0.3 -0.850 36.6-123.3 -82.5 98.6 3.5 5.3 -5.0 12 13 A D T 3 S- 0 0 0 269,-1.7 3,-0.1 -2,-1.1 273,-0.1 -0.286 78.9 -6.5 -64.2 122.8 6.4 7.4 -3.8 13 14 A S T 3 S+ 0 0 0 1,-0.2 2,-2.0 -2,-0.1 316,-0.9 0.489 85.2 144.1 79.2 7.2 8.9 8.4 -6.5 14 15 A V < - 0 0 2 -3,-1.9 -1,-0.2 314,-0.2 314,-0.2 -0.508 29.5-179.9 -82.1 77.9 7.2 6.3 -9.2 15 16 A G - 0 0 0 -2,-2.0 18,-2.3 328,-0.1 328,-0.2 -0.382 28.2-151.0 -83.0 158.5 7.8 8.7 -12.1 16 17 A I - 0 0 1 326,-3.0 327,-0.1 1,-0.4 -1,-0.1 -0.125 66.2 -43.1-125.2 35.0 6.7 8.0 -15.7 17 18 A G S S- 0 0 9 325,-0.2 325,-3.0 2,-0.0 -1,-0.4 -0.036 81.0 -50.3 115.9 146.8 9.3 9.9 -17.7 18 19 A E B -I 341 0B 74 12,-2.2 323,-0.3 323,-0.3 10,-0.1 -0.038 55.5-123.9 -49.6 137.1 11.2 13.2 -17.7 19 20 A A > - 0 0 4 321,-1.8 3,-1.9 1,-0.1 4,-0.2 -0.296 28.9-101.3 -76.4 164.2 9.1 16.4 -17.3 20 21 A P T 3 S+ 0 0 80 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.764 125.9 44.2 -57.9 -25.0 9.2 19.3 -19.9 21 22 A D T >> S+ 0 0 34 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.157 76.9 118.4-105.3 20.8 11.5 21.2 -17.5 22 23 A A G X4> + 0 0 0 -3,-1.9 5,-2.5 1,-0.2 3,-0.9 0.752 63.9 67.1 -56.6 -29.7 13.8 18.2 -16.6 23 24 A E G >45S+ 0 0 143 -3,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.826 90.9 61.4 -66.4 -32.5 16.9 19.8 -18.0 24 25 A Q G <45S+ 0 0 157 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 109.3 43.6 -59.3 -29.8 16.9 22.6 -15.3 25 26 A F G <<5S- 0 0 47 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.321 117.8-108.9 -99.2 3.9 17.3 19.8 -12.7 26 27 A G T < 5S+ 0 0 55 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.906 82.9 127.4 62.6 43.3 19.9 17.8 -14.6 27 28 A D > < + 0 0 0 -5,-2.5 3,-1.7 -6,-0.1 -4,-0.2 0.075 20.3 142.3-120.7 23.2 17.3 15.1 -15.2 28 29 A L T 3 S+ 0 0 97 -6,-0.2 3,-0.1 1,-0.2 -7,-0.0 -0.433 73.9 21.9 -62.4 135.6 17.4 14.6 -19.0 29 30 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.276 88.7 145.9 91.3 -8.9 16.8 11.0 -19.9 30 31 A S < + 0 0 1 -3,-1.7 -12,-2.2 310,-0.1 -1,-0.3 -0.369 11.1 156.3 -73.4 141.0 15.1 10.2 -16.6 31 32 A D > - 0 0 27 -14,-0.3 4,-2.0 301,-0.1 5,-0.3 -0.672 17.7-172.3-165.1 93.0 12.4 7.6 -16.6 32 33 A T H > S+ 0 0 0 -2,-0.2 4,-1.9 2,-0.2 -16,-0.2 0.987 86.2 29.9 -62.6 -66.1 11.6 5.7 -13.4 33 34 A I H > S+ 0 0 3 -18,-2.3 4,-3.2 1,-0.2 5,-0.2 0.887 120.7 54.5 -62.9 -38.9 9.1 3.0 -14.5 34 35 A G H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 26,-0.2 0.891 109.4 44.5 -66.4 -43.7 10.5 2.7 -18.0 35 36 A H H X S+ 0 0 43 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 115.4 49.1 -67.8 -37.3 14.1 2.1 -17.0 36 37 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.936 109.2 52.4 -65.1 -45.7 12.9 -0.4 -14.3 37 38 A A H <>S+ 0 0 0 -4,-3.2 5,-2.9 1,-0.2 4,-0.3 0.891 111.4 47.7 -56.1 -42.0 10.7 -2.1 -17.0 38 39 A E H ><5S+ 0 0 132 -4,-2.0 3,-1.2 3,-0.2 -1,-0.2 0.925 111.7 49.1 -64.7 -45.4 13.8 -2.4 -19.2 39 40 A H H 3<5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.3 49.5 -61.4 -37.9 15.9 -3.8 -16.4 40 41 A M T 3<5S- 0 0 33 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.501 109.7-123.5 -77.4 -5.0 13.3 -6.4 -15.4 41 42 A N T < 5S- 0 0 123 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.898 91.3 -4.0 54.9 44.2 13.0 -7.5 -19.1 42 43 A G S + 0 0 5 -2,-0.9 4,-2.1 16,-0.4 3,-0.2 -0.402 13.5 159.5-138.6 58.3 2.1 -5.3 -13.2 46 47 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.782 74.2 50.1 -59.3 -31.0 -1.1 -6.9 -14.6 47 48 A N H > S+ 0 0 22 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.899 110.3 47.3 -77.1 -40.1 -3.5 -5.0 -12.3 48 49 A M H >>S+ 0 0 0 -3,-0.2 5,-2.6 2,-0.2 4,-1.1 0.861 112.4 54.1 -63.2 -34.7 -2.0 -1.5 -12.9 49 50 A V H ><5S+ 0 0 22 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.920 105.3 51.3 -63.4 -45.4 -2.2 -2.5 -16.6 50 51 A K H 3<5S+ 0 0 118 -4,-1.9 19,-2.9 1,-0.2 -1,-0.2 0.810 107.2 53.8 -62.9 -31.3 -5.9 -3.3 -16.2 51 52 A L H 3<5S- 0 0 1 -4,-1.5 19,-1.0 17,-0.3 -1,-0.2 0.746 130.0 -96.8 -71.8 -27.4 -6.4 0.1 -14.6 52 53 A G T XX5S+ 0 0 0 -4,-1.1 4,-1.2 -3,-0.6 3,-0.6 0.583 75.1 142.6 119.6 20.0 -4.8 1.7 -17.7 53 54 A L H >> -J 62 0C 19 3,-2.0 3,-2.6 -2,-0.3 2,-0.1 -0.873 50.7 -56.4-140.1 167.7 6.7 0.3 -21.5 60 61 A K T 3 S- 0 0 109 1,-0.3 -17,-2.1 -2,-0.3 -18,-0.2 -0.285 127.1 -0.5 -57.6 120.7 8.3 -3.1 -21.5 61 62 A G T 3 S+ 0 0 49 -19,-0.3 2,-0.6 -2,-0.1 -16,-0.4 0.313 115.2 97.2 83.1 -6.7 5.7 -5.6 -20.0 62 63 A I B < +J 59 0C 0 -3,-2.6 -3,-2.0 -18,-0.1 2,-0.2 -0.865 55.0 175.1-121.0 93.8 3.2 -2.8 -19.6 63 64 A S - 0 0 70 -2,-0.6 -9,-0.6 -5,-0.2 -8,-0.3 -0.665 33.6-103.2-104.7 154.0 0.8 -2.7 -22.5 64 65 A K - 0 0 124 -10,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.374 33.2-146.2 -67.3 149.0 -2.3 -0.6 -23.3 65 66 A V - 0 0 42 -16,-0.2 -1,-0.0 1,-0.1 -15,-0.0 -0.909 15.1-129.6-116.0 150.8 -5.7 -2.3 -22.8 66 67 A E S S+ 0 0 209 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.838 103.2 28.8 -65.5 -36.2 -8.8 -1.7 -24.9 67 68 A K S S- 0 0 145 -3,-0.0 -1,-0.3 288,-0.0 290,-0.1 -0.654 80.2-161.8-131.0 76.7 -11.1 -1.1 -21.9 68 69 A P - 0 0 6 0, 0.0 288,-2.3 0, 0.0 -17,-0.3 -0.221 25.6-123.5 -58.8 147.2 -9.2 0.2 -18.9 69 70 A L S S- 0 0 56 -19,-2.9 280,-0.3 286,-0.2 286,-0.2 0.859 86.5 -3.8 -60.4 -38.4 -10.9 -0.2 -15.5 70 71 A G S S- 0 0 1 -19,-1.0 286,-0.5 -20,-0.2 278,-0.2 -0.635 94.4 -58.7-138.7-164.7 -10.8 3.6 -14.8 71 72 A Y E -C 347 0A 36 276,-2.6 276,-2.8 285,-0.2 2,-0.3 -0.530 48.8-169.6 -89.6 153.2 -9.5 6.9 -16.2 72 73 A Y E +Cd 346 358A 30 285,-1.5 287,-2.6 274,-0.2 2,-0.3 -0.972 22.5 123.4-145.3 151.3 -5.8 7.6 -16.8 73 74 A T E -C 345 0A 9 272,-1.6 272,-2.2 -2,-0.3 2,-0.3 -0.932 46.7-100.3-177.5-170.8 -3.4 10.4 -17.7 74 75 A K E -C 344 0A 49 -2,-0.3 288,-2.2 270,-0.2 2,-0.4 -0.872 24.4-130.9-126.1 168.7 -0.3 11.9 -16.3 75 76 A M E -Ce 343 362A 0 268,-2.7 268,-2.0 -2,-0.3 2,-0.4 -0.939 7.1-146.0-121.6 142.3 0.5 15.0 -14.2 76 77 A Q - 0 0 52 286,-3.1 2,-0.4 -2,-0.4 289,-0.2 -0.865 23.4-123.2-102.8 137.6 3.1 17.7 -14.6 77 78 A E - 0 0 3 -2,-0.4 287,-0.1 264,-0.2 10,-0.1 -0.694 24.3-176.9 -81.9 128.4 4.6 19.3 -11.6 78 79 A K + 0 0 112 -2,-0.4 -1,-0.1 0, 0.0 286,-0.1 0.757 54.1 90.8 -94.8 -30.7 4.2 23.1 -11.4 79 80 A S S S- 0 0 0 15,-0.1 18,-0.2 7,-0.1 -2,-0.0 -0.191 84.4-114.1 -66.9 161.7 6.1 23.9 -8.2 80 81 A T S S+ 0 0 54 16,-1.9 17,-0.1 2,-0.0 -1,-0.1 0.870 89.2 63.0 -65.4 -40.1 9.8 24.7 -8.4 81 82 A G - 0 0 3 15,-0.5 -2,-0.1 1,-0.1 15,-0.1 -0.344 59.3-152.1 -94.1 167.0 11.2 21.7 -6.5 82 83 A K + 0 0 28 18,-0.2 257,-0.1 -2,-0.1 246,-0.1 0.076 61.6 115.7-118.6 17.2 11.2 17.9 -7.0 83 84 A D S > S- 0 0 11 17,-0.1 4,-2.1 255,-0.1 5,-0.1 -0.355 78.6-103.7 -82.9 168.7 11.3 17.0 -3.3 84 85 A X H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.858 116.8 50.7 -60.0 -43.7 8.6 15.1 -1.2 85 86 A M H > S+ 0 0 18 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.955 111.3 48.7 -60.4 -54.4 7.1 18.1 0.6 86 87 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 114.1 46.1 -49.6 -52.4 6.7 20.1 -2.7 87 88 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 118.1 40.2 -61.3 -48.1 5.0 17.1 -4.5 88 89 A H H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.869 115.0 51.8 -71.0 -40.6 2.6 16.3 -1.6 89 90 A W H <>S+ 0 0 0 -4,-3.3 5,-1.8 -5,-0.3 -2,-0.2 0.920 112.7 46.6 -62.2 -41.9 1.9 19.9 -0.8 90 91 A E H ><5S+ 0 0 0 -4,-2.7 3,-2.1 -5,-0.3 279,-0.3 0.933 107.1 57.4 -63.5 -46.6 1.1 20.5 -4.5 91 92 A I H 3<5S+ 0 0 0 -4,-2.4 278,-1.6 1,-0.3 -1,-0.2 0.870 106.0 51.8 -49.5 -41.3 -1.1 17.3 -4.6 92 93 A M T 3<5S- 0 0 0 -4,-1.8 131,-2.7 276,-0.1 -1,-0.3 0.216 134.6 -79.9 -90.6 15.1 -3.2 18.8 -1.8 93 94 A G T < 5S+ 0 0 3 -3,-2.1 290,-1.0 1,-0.3 289,-0.3 0.550 89.2 115.5 112.6 13.4 -3.8 22.2 -3.5 94 95 A L < - 0 0 10 -5,-1.8 2,-0.4 -8,-0.1 -1,-0.3 -0.522 51.2-141.8-106.9 169.9 -0.7 24.4 -3.0 95 96 A Y - 0 0 88 124,-0.3 2,-0.6 -2,-0.2 -9,-0.0 -0.987 17.4-159.8-129.2 126.2 2.0 26.0 -5.2 96 97 A I + 0 0 1 -2,-0.4 -16,-1.9 1,-0.2 -15,-0.5 -0.894 16.1 175.2-114.7 109.4 5.5 26.0 -3.7 97 98 A D + 0 0 97 -2,-0.6 -1,-0.2 -18,-0.2 -11,-0.0 0.827 67.8 65.9 -78.5 -32.0 7.9 28.5 -5.1 98 99 A T S S- 0 0 36 -18,-0.1 -1,-0.1 -17,-0.0 -17,-0.0 -0.829 78.3-145.3-103.7 111.4 10.8 27.7 -2.7 99 100 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.316 15.8-113.7 -77.8 154.6 12.3 24.3 -3.1 100 101 A F - 0 0 12 88,-0.1 -18,-0.2 1,-0.0 2,-0.2 -0.674 36.4-128.9 -83.0 141.8 13.7 22.1 -0.3 101 102 A Q - 0 0 75 88,-3.2 90,-0.4 -2,-0.3 2,-0.3 -0.593 13.6-155.0 -96.1 151.8 17.4 21.5 -0.5 102 103 A V - 0 0 57 -2,-0.2 54,-0.1 54,-0.1 52,-0.1 -0.879 8.5-148.8-117.6 157.3 19.5 18.4 -0.4 103 104 A F > + 0 0 15 52,-0.4 3,-1.6 50,-0.4 49,-0.1 -0.622 26.3 162.6-133.5 73.6 23.2 18.3 0.7 104 105 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.709 87.8 41.3 -65.2 -20.5 25.3 15.6 -1.0 105 106 A E T 3 S- 0 0 173 1,-0.5 2,-0.1 22,-0.1 -2,-0.0 0.168 123.7 -99.1-108.9 15.3 28.5 17.4 0.1 106 107 A G < - 0 0 9 -3,-1.6 -1,-0.5 2,-0.0 21,-0.1 -0.282 57.1 -45.1 89.2 177.3 27.3 18.3 3.6 107 108 A F - 0 0 7 1,-0.1 81,-0.1 -3,-0.1 5,-0.0 -0.529 67.2 -92.1 -85.6 149.5 25.9 21.6 4.9 108 109 A P > - 0 0 39 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.242 30.7-122.0 -58.3 147.8 27.4 25.0 4.1 109 110 A K H > S+ 0 0 134 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.873 109.8 62.2 -59.2 -40.2 29.9 26.3 6.6 110 111 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 105.5 46.3 -53.5 -43.5 27.8 29.5 7.2 111 112 A L H > S+ 0 0 3 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.937 114.7 45.1 -65.6 -48.9 25.0 27.3 8.6 112 113 A L H X S+ 0 0 15 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.865 109.7 56.7 -66.0 -37.4 27.2 25.2 10.8 113 114 A D H X S+ 0 0 68 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.920 109.3 45.2 -57.3 -46.7 29.0 28.2 12.1 114 115 A E H X S+ 0 0 80 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.877 110.5 53.4 -68.3 -38.7 25.8 29.9 13.3 115 116 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 6,-0.3 0.897 112.8 44.9 -60.1 -42.7 24.6 26.6 14.9 116 117 A E H X S+ 0 0 65 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.922 111.6 52.3 -62.9 -48.4 27.9 26.4 16.8 117 118 A E H < S+ 0 0 157 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 116.0 41.1 -56.1 -38.4 27.7 30.1 17.7 118 119 A K H < S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.784 123.6 34.9 -84.4 -30.6 24.1 29.6 19.1 119 120 A T H < S- 0 0 30 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.734 92.8-131.7 -97.1 -27.9 24.6 26.3 20.9 120 121 A G < + 0 0 70 -4,-3.0 2,-0.3 1,-0.3 -3,-0.1 0.762 69.8 115.2 78.4 25.4 28.2 26.6 22.2 121 122 A R - 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