==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-JAN-06 2FQ6 . COMPND 2 MOLECULE: CYSTATHIONINE BETA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.S.JUNOP . 783 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 50 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 2 0 4 1 5 2 3 1 2 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 2 2 4 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 PARALLEL BRIDGES PER LADDER . 4 0 0 2 8 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 2 0 2 0 0 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 5 A K > 0 0 198 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -9.4 15.2 22.4 65.0 2 6 A L H > + 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 360.0 55.1 -53.8 -40.5 12.3 21.0 62.9 3 7 A D H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 110.6 45.0 -62.7 -38.1 11.0 24.6 62.4 4 8 A T H > S+ 0 0 66 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 113.0 49.9 -69.9 -42.0 14.4 25.6 61.0 5 9 A Q H X S+ 0 0 64 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.911 109.8 52.3 -62.5 -43.7 14.6 22.5 58.8 6 10 A L H < S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.937 108.7 49.3 -60.5 -48.4 11.2 23.1 57.5 7 11 A V H < S+ 0 0 67 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 123.6 31.4 -53.5 -38.7 12.0 26.7 56.5 8 12 A N H >< S+ 0 0 83 -4,-1.7 3,-2.6 -5,-0.1 -2,-0.2 0.705 81.5 128.5-100.7 -20.8 15.2 25.6 54.7 9 13 A A T 3< S- 0 0 0 -4,-2.9 57,-0.2 1,-0.3 58,-0.1 -0.103 88.3 -3.6 -46.2 118.5 14.5 22.1 53.3 10 14 A G T 3 S+ 0 0 0 55,-0.2 2,-1.0 56,-0.1 -1,-0.3 0.324 95.1 124.1 81.1 -2.8 15.3 21.9 49.6 11 15 A R < + 0 0 62 -3,-2.6 2,-0.2 4,-0.1 -1,-0.1 -0.264 29.7 151.0 -91.7 48.8 16.3 25.6 49.3 12 16 A S >> - 0 0 39 -2,-1.0 3,-2.2 1,-0.1 4,-1.7 -0.497 59.5-112.9 -70.6 149.0 19.8 25.2 47.9 13 17 A K H 3> S+ 0 0 128 1,-0.3 4,-2.2 2,-0.2 6,-0.1 0.781 115.5 65.1 -52.0 -32.4 21.0 28.0 45.7 14 18 A K H 34 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.2 48,-0.1 0.727 111.7 36.1 -68.7 -16.4 21.0 25.7 42.7 15 19 A Y H <4 S+ 0 0 19 -3,-2.2 8,-3.0 -5,-0.1 -2,-0.2 0.754 122.2 40.1-101.9 -35.9 17.2 25.4 43.1 16 20 A T H >< S- 0 0 11 -4,-1.7 3,-2.1 6,-0.3 -3,-0.2 0.741 80.6-161.5 -88.3 -30.2 16.2 29.0 44.2 17 21 A L T 3< S- 0 0 50 -4,-2.2 3,-0.1 1,-0.3 -3,-0.1 0.781 77.2 -32.4 55.4 32.0 18.7 30.9 41.9 18 22 A G T 3 S+ 0 0 12 1,-0.5 406,-3.2 -5,-0.1 -1,-0.3 0.095 121.6 98.6 115.0 -19.4 18.5 34.1 43.8 19 23 A A B < S-A 423 0A 4 -3,-2.1 -1,-0.5 2,-0.2 404,-0.1 -0.324 78.7-120.7 -89.7 173.6 15.0 33.9 45.0 20 24 A V S S+ 0 0 54 402,-0.5 2,-0.1 399,-0.2 -1,-0.1 0.908 97.5 46.0 -78.2 -47.2 13.7 32.7 48.4 21 25 A N S S- 0 0 39 398,-0.4 -2,-0.2 1,-0.1 3,-0.1 -0.449 102.5 -87.4 -93.1 163.3 11.6 29.8 46.9 22 26 A S - 0 0 3 224,-0.1 -6,-0.3 -2,-0.1 397,-0.3 -0.343 49.6-104.3 -61.8 151.9 12.7 27.3 44.3 23 27 A V - 0 0 0 -8,-3.0 2,-0.6 395,-0.1 395,-0.2 -0.317 27.3-122.6 -65.1 161.0 12.2 28.3 40.7 24 28 A I B -B 417 0B 0 393,-2.3 393,-3.4 -3,-0.1 2,-0.7 -0.976 28.2-173.1-107.8 108.9 9.3 26.7 38.8 25 29 A Q - 0 0 0 -2,-0.6 2,-0.5 391,-0.2 34,-0.2 -0.931 4.2-165.6-105.0 103.1 10.8 25.0 35.7 26 30 A R + 0 0 65 -2,-0.7 388,-0.4 389,-0.3 2,-0.3 -0.835 30.3 139.7 -87.1 126.9 7.9 23.8 33.5 27 31 A A + 0 0 32 -2,-0.5 29,-0.1 385,-0.1 3,-0.1 -0.935 41.2 173.3-165.8 141.8 9.3 21.3 31.0 28 32 A S S S+ 0 0 74 -2,-0.3 25,-2.4 1,-0.3 26,-0.1 0.574 87.3 50.0 -97.6 -77.4 8.9 18.2 29.0 29 33 A S - 0 0 63 23,-0.2 384,-0.5 24,-0.1 2,-0.4 -0.296 69.7-164.0 -56.9 135.7 11.9 18.5 26.7 30 34 A L B -C 412 0C 10 21,-0.5 2,-0.3 382,-0.2 382,-0.2 -0.996 21.6-125.9-122.2 125.9 15.2 19.3 28.4 31 35 A V - 0 0 73 380,-3.3 2,-0.6 -2,-0.4 19,-0.0 -0.606 12.2-153.9 -85.1 133.8 17.9 20.6 26.0 32 36 A F - 0 0 66 -2,-0.3 3,-0.0 1,-0.1 6,-0.0 -0.902 5.0-155.5-101.4 121.2 21.4 19.1 25.8 33 37 A D S S+ 0 0 115 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.730 75.8 3.6 -70.2 -22.5 23.9 21.6 24.5 34 38 A S S > S- 0 0 59 1,-0.1 4,-2.3 -3,-0.0 5,-0.1 -0.946 75.3-103.7-151.8 169.8 26.2 18.8 23.2 35 39 A V H > S+ 0 0 125 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.885 123.1 52.0 -65.9 -39.4 26.4 15.0 22.7 36 40 A E H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.963 109.2 49.3 -57.0 -50.9 28.8 14.9 25.6 37 41 A A H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 109.5 52.1 -58.4 -43.1 26.3 16.8 27.8 38 42 A K H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.908 108.9 50.7 -60.5 -44.1 23.6 14.4 26.7 39 43 A K H X S+ 0 0 87 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.943 111.3 48.7 -54.3 -48.9 25.8 11.4 27.7 40 44 A H H X S+ 0 0 63 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.927 112.5 46.2 -61.5 -46.7 26.4 13.0 31.1 41 45 A A H < S+ 0 0 3 -4,-2.7 -1,-0.2 2,-0.2 8,-0.2 0.890 110.7 55.0 -61.1 -41.9 22.7 13.7 31.7 42 46 A T H >< S+ 0 0 45 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.946 108.5 46.3 -59.4 -51.5 21.8 10.2 30.6 43 47 A R H 3< S+ 0 0 165 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.808 121.5 39.6 -61.1 -25.5 24.1 8.6 33.1 44 48 A N T ><>S+ 0 0 30 -4,-1.5 3,-1.5 -5,-0.2 5,-1.5 0.058 77.2 119.2-108.5 24.3 22.7 10.9 35.8 45 49 A R T < 5S+ 0 0 99 -3,-1.5 3,-0.2 1,-0.3 7,-0.2 0.665 85.0 36.8 -70.2 -16.5 19.0 10.9 34.8 46 50 A A T 3 5S+ 0 0 31 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.269 109.4 68.4-109.1 9.1 17.9 9.4 38.2 47 51 A N T < 5S- 0 0 115 -3,-1.5 -2,-0.1 2,-0.2 -1,-0.1 -0.187 120.6 -86.0-127.3 29.4 20.5 11.4 40.2 48 52 A G T 5S+ 0 0 41 1,-0.2 2,-0.5 -3,-0.2 -3,-0.1 0.713 84.1 129.2 74.2 22.7 19.2 15.0 39.8 49 53 A E S > - 0 0 80 4,-0.3 3,-1.5 -7,-0.2 4,-0.7 -0.964 59.4-119.6-155.7 143.0 13.6 14.6 30.7 53 57 A G T 34 S+ 0 0 3 -25,-2.4 3,-0.4 -2,-0.3 4,-0.1 0.763 109.9 66.9 -55.1 -31.1 10.5 16.3 32.4 54 58 A R T 34 S+ 0 0 102 1,-0.3 -1,-0.3 -26,-0.1 186,-0.1 0.842 105.3 43.7 -60.3 -34.0 9.1 12.9 33.3 55 59 A R T <4 S- 0 0 35 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.612 126.3-104.3 -81.5 -16.6 12.0 12.4 35.6 56 60 A G < - 0 0 2 -4,-0.7 -5,-0.5 -3,-0.4 -4,-0.3 -0.335 23.3-113.2 118.1 161.8 11.6 16.0 36.9 57 61 A T > - 0 0 1 -4,-0.1 4,-2.7 -2,-0.1 3,-0.4 -0.515 55.0 -72.2-113.0-170.4 13.1 19.5 36.7 58 62 A L H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.860 131.9 57.4 -52.7 -35.5 14.8 21.7 39.3 59 63 A T H > S+ 0 0 0 -34,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 108.8 42.9 -67.8 -40.5 11.5 22.2 41.0 60 64 A H H > S+ 0 0 8 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.923 111.8 54.5 -68.4 -45.5 11.0 18.5 41.5 61 65 A F H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.882 107.4 52.6 -58.0 -41.3 14.6 17.9 42.6 62 66 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.920 111.3 44.0 -56.3 -52.6 14.1 20.7 45.2 63 67 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.928 113.1 52.7 -59.4 -43.3 11.0 19.0 46.7 64 68 A Q H X S+ 0 0 50 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.897 109.1 48.3 -59.2 -47.2 12.7 15.6 46.6 65 69 A Q H X S+ 0 0 59 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.928 113.0 50.3 -55.1 -44.9 15.8 16.9 48.5 66 70 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -57,-0.2 -2,-0.2 0.933 110.8 46.6 -63.0 -45.5 13.4 18.4 51.0 67 71 A M H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.887 111.5 53.3 -63.3 -40.0 11.4 15.3 51.6 68 72 A C H X>S+ 0 0 22 -4,-2.0 5,-1.7 -5,-0.2 4,-1.0 0.891 112.2 43.0 -63.9 -43.1 14.6 13.2 51.9 69 73 A E H <5S+ 0 0 75 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.925 115.6 48.9 -69.5 -38.7 15.9 15.5 54.6 70 74 A L H <5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.900 123.4 30.5 -68.2 -39.4 12.6 15.8 56.5 71 75 A E H <5S- 0 0 4 -4,-2.7 122,-0.4 -5,-0.2 -1,-0.2 0.427 107.2-119.4-101.6 5.1 12.0 12.0 56.5 72 76 A G T <5 + 0 0 40 -4,-1.0 2,-0.2 -5,-0.2 -3,-0.2 0.968 61.4 145.8 62.8 53.4 15.6 10.9 56.6 73 77 A G < - 0 0 22 -5,-1.7 149,-0.2 -6,-0.1 -1,-0.2 -0.748 60.4-129.3-120.5 167.8 15.6 8.9 53.3 74 78 A A S S- 0 0 42 147,-2.3 2,-0.3 -2,-0.2 148,-0.2 0.784 91.2 -0.3 -81.2 -32.8 17.8 8.0 50.4 75 79 A G E -D 221 0D 2 146,-1.6 146,-2.5 -7,-0.1 2,-0.4 -0.975 56.7-141.3-155.1 165.2 15.2 9.0 47.8 76 80 A C E -D 220 0D 3 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.984 15.0-157.7-135.7 118.4 11.7 10.5 47.3 77 81 A V E -D 219 0D 11 142,-2.8 142,-1.9 -2,-0.4 2,-0.3 -0.795 14.0-143.5 -98.5 137.7 9.4 9.2 44.6 78 82 A L E +D 218 0D 11 -2,-0.4 140,-0.2 140,-0.2 138,-0.0 -0.802 18.8 177.7-108.5 146.5 6.6 11.5 43.4 79 83 A F E -D 217 0D 0 138,-2.5 138,-2.5 -2,-0.3 161,-0.1 -0.931 42.3-107.0-142.7 158.8 3.1 10.7 42.3 80 84 A P S S- 0 0 58 0, 0.0 2,-0.3 0, 0.0 161,-0.1 0.687 97.6 -10.0 -65.9 -19.2 -0.0 12.6 41.2 81 85 A C S > S- 0 0 33 135,-0.2 4,-1.7 134,-0.1 136,-0.5 -0.955 77.2 -92.9-163.2 172.4 -1.9 11.9 44.5 82 86 A G H > S+ 0 0 8 134,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.903 122.5 54.8 -58.2 -45.0 -1.6 9.8 47.7 83 87 A A H > S+ 0 0 46 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.903 107.6 50.7 -62.6 -37.5 -3.7 7.0 46.2 84 88 A A H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.883 109.3 51.3 -61.0 -38.7 -1.3 6.8 43.2 85 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.915 113.5 44.7 -69.5 -39.5 1.7 6.6 45.7 86 90 A V H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.982 116.3 43.6 -65.3 -56.3 0.1 3.8 47.6 87 91 A A H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.888 120.7 41.9 -55.7 -47.2 -1.1 1.7 44.6 88 92 A N H X S+ 0 0 19 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.820 109.5 55.3 -75.2 -35.4 2.3 2.2 42.8 89 93 A S H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.927 113.5 43.7 -58.0 -48.0 4.6 1.7 45.7 90 94 A I H >X S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 4,-0.8 0.964 113.4 50.3 -61.6 -50.8 3.0 -1.7 46.4 91 95 A L H >< S+ 0 0 49 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.865 100.5 65.2 -51.1 -41.3 3.0 -2.6 42.7 92 96 A A T 3< S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.656 109.8 37.4 -60.8 -18.7 6.7 -1.7 42.4 93 97 A F T <4 S+ 0 0 2 -3,-1.8 -1,-0.2 -4,-0.4 2,-0.2 0.456 102.0 82.9-116.6 -3.4 7.6 -4.5 44.8 94 98 A I << + 0 0 26 -3,-1.0 2,-0.3 -4,-0.8 29,-0.1 -0.563 43.7 179.8-101.6 165.7 5.3 -7.4 43.9 95 99 A E > - 0 0 127 -2,-0.2 3,-2.2 27,-0.1 50,-0.1 -0.951 49.5 -65.5-146.5 168.0 5.1 -10.2 41.4 96 100 A Q T 3 S+ 0 0 164 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.270 122.1 30.3 -56.5 135.6 2.6 -13.0 40.8 97 101 A G T 3 S+ 0 0 44 25,-3.4 -1,-0.3 1,-0.3 26,-0.2 0.267 91.8 126.2 93.7 -7.8 2.5 -15.4 43.7 98 102 A D < - 0 0 19 -3,-2.2 26,-2.2 24,-0.1 2,-0.4 -0.335 51.5-138.0 -74.2 162.9 3.4 -12.8 46.3 99 103 A H E -ef 124 144D 2 44,-2.3 46,-2.4 24,-0.2 47,-1.3 -0.955 8.5-153.1-120.9 141.0 1.3 -12.1 49.5 100 104 A V E -ef 125 146D 0 24,-3.0 26,-2.5 -2,-0.4 2,-0.6 -0.965 1.9-161.1-114.7 132.8 0.4 -8.7 50.9 101 105 A L E +ef 126 147D 0 45,-2.9 47,-3.3 -2,-0.5 2,-0.4 -0.943 20.1 174.5-114.8 114.1 -0.3 -8.2 54.5 102 106 A M E -ef 127 148D 0 24,-2.4 26,-1.4 -2,-0.6 47,-0.2 -0.925 36.8-104.6-125.8 140.9 -2.2 -4.9 55.2 103 107 A T E > -e 128 0D 0 45,-2.1 3,-1.6 -2,-0.4 26,-0.2 -0.332 26.5-133.1 -59.0 138.5 -3.7 -3.4 58.4 104 108 A N T 3 S+ 0 0 4 24,-3.2 -1,-0.2 1,-0.3 25,-0.1 0.568 105.7 65.0 -71.8 -5.5 -7.5 -3.7 58.2 105 109 A T T 3 S+ 0 0 0 23,-0.3 49,-2.0 250,-0.1 -1,-0.3 0.262 76.1 129.1 -94.2 8.5 -7.6 -0.0 59.2 106 110 A A S < S- 0 0 0 -3,-1.6 5,-0.2 47,-0.2 47,-0.1 -0.282 76.7 -82.9 -61.7 143.2 -6.0 1.0 55.9 107 111 A Y >> - 0 0 103 1,-0.1 4,-1.6 3,-0.1 3,-1.3 -0.219 47.5-116.4 -41.0 129.4 -7.6 3.8 53.9 108 112 A E H 3> S+ 0 0 88 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.863 113.0 53.8 -48.2 -48.4 -10.4 2.1 51.8 109 113 A P H 3> S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.842 105.9 56.2 -57.4 -29.1 -8.9 2.8 48.4 110 114 A S H <> S+ 0 0 2 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.944 111.0 43.1 -65.0 -47.2 -5.7 1.2 49.6 111 115 A Q H X S+ 0 0 11 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.912 113.7 51.6 -60.7 -47.5 -7.7 -2.0 50.5 112 116 A D H X>S+ 0 0 50 -4,-3.1 4,-3.0 1,-0.2 5,-0.7 0.886 103.0 57.8 -58.6 -43.9 -9.6 -1.8 47.2 113 117 A F H X>S+ 0 0 25 -4,-2.5 5,-2.0 -5,-0.2 4,-1.8 0.937 112.5 43.1 -52.5 -45.6 -6.4 -1.6 45.2 114 118 A C H <>S+ 0 0 1 -4,-1.5 5,-1.3 3,-0.2 -2,-0.2 0.950 119.1 40.5 -64.0 -49.9 -5.4 -4.9 46.8 115 119 A S H <5S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.825 128.0 29.4 -74.8 -29.1 -8.7 -6.7 46.5 116 120 A K H <5S+ 0 0 139 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.682 131.7 25.2-104.0 -30.7 -9.6 -5.5 43.0 117 121 A I T >< XS+ 0 0 0 -5,-2.0 3,-2.0 1,-0.2 5,-1.7 0.873 106.5 63.9 -55.7 -39.4 -3.6 -7.1 42.8 119 123 A S G > - 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