==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-APR-09 2WFA . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR M.W.BOWLER,N.J.BAXTER,C.E.WEBSTER,S.POLLARD,T.ALIZADEH, . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 1 1 0 1 0 1 3 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 83 0, 0.0 212,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.4 -21.5 24.2 1.4 2 2 A F - 0 0 3 1,-0.1 163,-0.2 210,-0.1 3,-0.1 -0.258 360.0-155.1 -57.2 148.0 -18.4 22.5 -0.2 3 3 A K + 0 0 103 161,-3.0 106,-2.5 1,-0.2 2,-0.3 0.544 68.5 23.5-105.2 -11.7 -16.4 20.3 2.2 4 4 A A E -ab 109 165A 0 160,-1.1 162,-2.0 104,-0.2 2,-0.4 -0.997 56.1-144.8-153.9 152.3 -13.0 20.4 0.5 5 5 A V E -ab 110 166A 0 104,-2.4 106,-2.2 -2,-0.3 2,-0.7 -0.992 15.5-153.4-120.5 128.3 -10.8 22.4 -1.9 6 6 A L E -ab 111 167A 0 160,-3.2 162,-2.3 -2,-0.4 2,-0.5 -0.899 17.7-155.6-104.1 109.8 -8.5 20.5 -4.2 7 7 A F E -ab 112 168A 0 104,-3.3 106,-3.2 -2,-0.7 2,-0.2 -0.778 11.8-151.3 -95.4 123.8 -5.5 22.6 -5.1 8 8 A D - 0 0 8 160,-1.7 5,-0.4 -2,-0.5 106,-0.2 -0.517 16.2-149.6 -67.1 156.1 -3.3 22.3 -8.2 9 9 A L S >>>S+ 0 0 0 -2,-0.2 3,-1.9 3,-0.2 5,-1.8 0.888 71.3 63.5 -96.1 -68.8 0.3 23.5 -7.3 10 10 A D B 345S+f 14 0B 43 1,-0.3 160,-0.3 2,-0.2 5,-0.2 -0.444 119.3 8.7 -68.7 124.8 2.0 25.0 -10.4 11 11 A G T 345S+ 0 0 11 3,-3.2 -1,-0.3 -2,-0.2 4,-0.2 0.362 133.3 50.7 87.6 -3.2 0.1 28.1 -11.6 12 12 A V T <45S+ 0 0 0 -3,-1.9 -2,-0.2 2,-0.6 -3,-0.2 0.606 122.6 18.2-124.8 -61.5 -2.2 28.3 -8.5 13 13 A I T <5S- 0 0 0 -4,-1.8 80,-3.0 -5,-0.4 2,-0.3 0.872 134.2 -31.1 -81.7 -41.4 -0.1 28.0 -5.3 14 14 A T B < -f 10 0B 4 -5,-1.8 -3,-3.2 78,-0.2 -2,-0.6 -0.885 60.2-104.0-158.7-176.8 3.2 29.0 -7.0 15 15 A D - 0 0 53 76,-0.3 3,-0.2 -2,-0.3 4,-0.2 -0.999 15.8-172.8-125.3 129.2 5.2 28.8 -10.2 16 16 A T >> + 0 0 13 -2,-0.4 4,-2.2 1,-0.2 3,-0.8 0.445 62.3 101.0 -92.1 -4.4 8.1 26.4 -10.7 17 17 A A H 3> S+ 0 0 35 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.823 76.5 51.8 -58.4 -42.8 9.1 27.9 -14.1 18 18 A E H 3> S+ 0 0 46 -3,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.856 112.0 48.9 -61.0 -35.2 12.0 30.1 -12.9 19 19 A Y H <> S+ 0 0 15 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.906 111.5 47.0 -75.1 -42.2 13.5 27.0 -11.2 20 20 A H H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.914 112.3 53.0 -59.9 -43.4 13.1 24.8 -14.3 21 21 A F H X S+ 0 0 7 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.958 109.0 47.8 -54.9 -54.5 14.6 27.6 -16.3 22 22 A R H X S+ 0 0 84 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.876 112.2 50.6 -54.7 -41.4 17.6 27.8 -14.0 23 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.908 113.4 43.1 -66.7 -46.3 18.0 24.0 -14.2 24 24 A W H X S+ 0 0 5 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.890 113.3 52.7 -65.3 -41.0 17.9 23.8 -18.0 25 25 A K H X S+ 0 0 71 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.900 109.3 49.7 -63.0 -40.5 20.2 26.9 -18.3 26 26 A A H X S+ 0 0 33 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.925 114.1 44.7 -62.6 -46.0 22.7 25.2 -16.0 27 27 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 112.2 51.5 -63.2 -47.9 22.7 22.0 -18.1 28 28 A A H X>S+ 0 0 1 -4,-3.1 5,-2.9 1,-0.2 4,-0.6 0.920 110.9 48.5 -56.7 -46.1 22.8 23.8 -21.4 29 29 A E H ><5S+ 0 0 141 -4,-2.3 3,-0.6 3,-0.2 -1,-0.2 0.884 108.7 53.9 -62.0 -41.1 25.9 25.8 -20.2 30 30 A E H 3<5S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.882 115.8 38.1 -59.2 -41.8 27.6 22.6 -19.0 31 31 A I H 3<5S- 0 0 42 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.361 119.3-109.3 -96.2 3.2 27.2 20.9 -22.4 32 32 A G T <<5 + 0 0 62 -4,-0.6 2,-0.5 -3,-0.6 -3,-0.2 0.858 64.6 146.1 78.7 40.5 27.9 24.1 -24.3 33 33 A I < - 0 0 10 -5,-2.9 3,-0.4 -8,-0.1 -1,-0.2 -0.948 31.9-153.5-112.3 118.0 24.5 25.0 -25.8 34 34 A N + 0 0 150 -2,-0.5 3,-0.1 1,-0.2 25,-0.0 -0.383 64.5 51.7 -77.0 163.0 23.6 28.7 -26.3 35 35 A G + 0 0 45 1,-0.2 2,-1.7 -2,-0.1 5,-0.2 0.413 54.6 133.7 96.8 0.5 20.1 30.1 -26.3 36 36 A V + 0 0 13 -3,-0.4 -1,-0.2 -11,-0.1 2,-0.2 -0.635 36.6 147.7 -83.9 84.3 18.4 28.8 -23.2 37 37 A D > - 0 0 79 -2,-1.7 4,-2.1 -3,-0.1 5,-0.2 -0.505 66.3 -88.5-109.8-179.5 16.9 32.1 -22.1 38 38 A R H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 -17,-0.0 0.837 127.0 52.8 -60.3 -33.3 13.6 33.0 -20.2 39 39 A Q H > S+ 0 0 117 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.905 107.7 50.1 -67.7 -45.8 11.8 33.2 -23.6 40 40 A F H >4 S+ 0 0 33 1,-0.2 3,-1.0 -5,-0.2 -2,-0.2 0.909 109.0 52.1 -59.9 -43.3 12.9 29.8 -24.6 41 41 A N H >< S+ 0 0 15 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.773 96.2 67.6 -69.2 -27.5 11.7 28.3 -21.3 42 42 A E H >< S+ 0 0 129 -4,-1.3 3,-1.0 1,-0.3 -1,-0.3 0.820 96.6 57.5 -56.0 -31.8 8.3 29.9 -21.6 43 43 A Q T << S+ 0 0 155 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.433 97.2 61.8 -80.2 -1.7 7.8 27.4 -24.5 44 44 A L T X S+ 0 0 12 -3,-1.8 3,-1.7 -4,-0.1 2,-0.2 0.292 70.7 132.8-102.9 6.2 8.5 24.5 -22.2 45 45 A K T < S- 0 0 155 -3,-1.0 3,-0.1 1,-0.3 -3,-0.0 -0.434 86.1 -1.6 -62.5 121.5 5.5 25.2 -20.0 46 46 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.304 103.3 132.1 80.3 -7.9 3.6 21.9 -19.5 47 47 A V < - 0 0 45 -3,-1.7 -1,-0.3 1,-0.1 -3,-0.1 -0.537 61.2-106.9 -83.7 141.2 6.2 20.1 -21.7 48 48 A S > - 0 0 51 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.165 24.6-113.4 -64.3 158.4 7.7 16.8 -20.5 49 49 A R H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 117.9 47.5 -55.7 -44.1 11.3 16.5 -19.3 50 50 A E H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 114.2 44.7 -68.6 -45.3 12.2 14.3 -22.3 51 51 A D H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.863 113.2 52.6 -65.9 -37.6 10.5 16.5 -24.9 52 52 A S H X S+ 0 0 4 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.916 107.5 51.0 -62.1 -46.0 12.1 19.6 -23.2 53 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.906 107.6 53.2 -60.7 -42.5 15.6 18.1 -23.4 54 54 A Q H X S+ 0 0 71 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 106.2 53.2 -59.2 -40.6 15.0 17.3 -27.1 55 55 A K H X S+ 0 0 90 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.851 109.3 49.6 -62.2 -34.2 14.1 21.0 -27.7 56 56 A I H >< S+ 0 0 0 -4,-1.7 3,-0.8 2,-0.2 4,-0.4 0.922 110.2 48.5 -71.0 -45.0 17.4 22.0 -26.0 57 57 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.7 1,-0.2 3,-1.6 0.871 104.6 62.1 -60.3 -36.2 19.5 19.7 -28.1 58 58 A D H ><5S+ 0 0 84 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.764 87.8 70.9 -61.5 -28.2 17.7 21.1 -31.2 59 59 A L T <<5S+ 0 0 75 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.762 113.1 28.9 -57.3 -26.4 19.1 24.5 -30.4 60 60 A A T < 5S- 0 0 55 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.087 111.6-115.5-119.5 21.0 22.5 23.1 -31.5 61 61 A D T < 5 + 0 0 119 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.832 61.6 170.0 44.8 40.6 21.1 20.5 -34.0 62 62 A K < - 0 0 81 -5,-2.7 2,-0.4 -8,-0.1 -1,-0.2 -0.612 27.2-165.2 -95.4 138.1 22.6 17.9 -31.6 63 63 A K + 0 0 147 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.931 12.2 177.5-115.0 139.1 22.0 14.2 -31.6 64 64 A V - 0 0 38 -2,-0.4 -7,-0.0 1,-0.0 -2,-0.0 -0.936 32.6 -93.0-135.0 165.2 23.0 11.9 -28.7 65 65 A S > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.230 39.1-108.0 -68.8 164.4 22.7 8.2 -27.8 66 66 A A H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.898 122.3 48.0 -59.9 -41.0 19.7 6.8 -25.9 67 67 A E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 111.6 48.5 -67.4 -42.9 22.0 6.3 -22.8 68 68 A E H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.887 110.3 52.6 -63.2 -39.5 23.4 9.9 -23.0 69 69 A F H X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 109.1 49.3 -62.2 -46.7 19.9 11.3 -23.4 70 70 A K H X S+ 0 0 143 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.884 111.6 49.3 -56.6 -43.7 18.8 9.4 -20.2 71 71 A E H X S+ 0 0 73 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.893 109.9 50.3 -67.0 -40.9 21.8 10.8 -18.3 72 72 A L H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.899 109.4 51.3 -63.0 -42.6 21.2 14.4 -19.5 73 73 A A H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.896 111.3 48.7 -60.2 -40.4 17.5 14.1 -18.4 74 74 A K H X S+ 0 0 107 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.936 109.5 51.7 -64.1 -47.8 18.7 12.9 -15.0 75 75 A R H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.880 107.3 53.0 -57.3 -40.5 21.3 15.7 -14.7 76 76 A K H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.927 109.7 48.6 -61.3 -43.3 18.6 18.3 -15.4 77 77 A N H X S+ 0 0 51 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.906 109.2 52.1 -64.0 -39.3 16.5 16.8 -12.6 78 78 A D H X S+ 0 0 64 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.924 111.3 48.6 -60.6 -43.5 19.5 16.9 -10.3 79 79 A N H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.916 109.2 52.5 -58.9 -46.2 19.9 20.6 -11.2 80 80 A Y H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.942 106.6 52.4 -58.9 -48.8 16.2 21.2 -10.6 81 81 A V H < S+ 0 0 55 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.886 111.7 47.6 -53.8 -43.5 16.3 19.7 -7.1 82 82 A K H >< S+ 0 0 146 -4,-1.8 3,-1.0 -5,-0.2 4,-0.3 0.918 111.5 50.5 -60.8 -44.8 19.3 22.0 -6.3 83 83 A M H >< S+ 0 0 43 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.884 103.4 58.3 -65.9 -37.7 17.5 25.1 -7.7 84 84 A I G >< S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.578 82.2 82.9 -76.2 -7.0 14.3 24.5 -5.7 85 85 A Q G < S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.809 88.2 58.3 -57.1 -27.7 16.2 24.6 -2.4 86 86 A D G < S+ 0 0 109 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.499 77.4 117.4 -84.9 -4.3 15.8 28.4 -2.8 87 87 A V < + 0 0 8 -3,-1.5 -71,-0.0 -4,-0.1 -3,-0.0 -0.352 41.7 164.9 -58.7 141.8 12.0 28.2 -2.9 88 88 A S > - 0 0 41 38,-0.1 3,-2.5 39,-0.0 4,-0.3 -0.913 56.4 -80.9-150.3 174.2 10.5 30.1 0.1 89 89 A P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 37,-0.1 0.726 121.3 71.8 -57.2 -19.3 7.2 31.6 1.4 90 90 A A G 3 S+ 0 0 91 1,-0.2 36,-0.1 0, 0.0 -3,-0.1 0.685 88.0 63.7 -67.0 -18.9 7.9 34.6 -1.0 91 91 A D G < S+ 0 0 36 -3,-2.5 -76,-0.3 2,-0.1 -1,-0.2 0.638 76.6 111.5 -78.2 -14.4 7.1 32.2 -3.9 92 92 A V S < S- 0 0 28 -3,-1.2 -78,-0.2 -4,-0.3 3,-0.1 -0.380 73.7-116.3 -67.1 133.8 3.5 31.8 -2.7 93 93 A Y >> - 0 0 77 -80,-3.0 3,-1.4 1,-0.1 4,-0.5 -0.290 41.4 -82.5 -68.6 152.4 0.9 33.4 -5.1 94 94 A P T 34 S+ 0 0 84 0, 0.0 113,-0.2 0, 0.0 -1,-0.1 -0.243 111.2 11.2 -58.9 139.6 -1.2 36.3 -3.9 95 95 A G T 3> S+ 0 0 34 110,-0.1 4,-2.1 -3,-0.1 5,-0.1 0.071 99.5 100.7 88.5 -23.3 -4.3 35.4 -1.9 96 96 A I H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.902 78.6 48.6 -67.5 -45.6 -3.4 31.8 -1.5 97 97 A L H X S+ 0 0 72 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.934 112.9 47.9 -61.1 -47.8 -2.1 31.9 2.1 98 98 A Q H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 111.7 51.7 -60.5 -38.6 -5.1 33.8 3.4 99 99 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.939 109.3 48.6 -63.0 -48.8 -7.4 31.3 1.6 100 100 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 112.6 49.4 -56.9 -42.8 -5.6 28.3 3.2 101 101 A K H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.902 113.2 46.1 -63.1 -41.8 -5.9 30.0 6.6 102 102 A D H X S+ 0 0 51 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.850 112.3 50.4 -72.0 -36.8 -9.7 30.7 6.1 103 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -2,-0.2 0.951 114.0 44.1 -65.3 -47.7 -10.4 27.2 4.8 104 104 A R H ><5S+ 0 0 116 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.908 111.3 52.3 -68.5 -38.5 -8.7 25.5 7.7 105 105 A S H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 111.3 49.3 -67.9 -25.9 -10.2 27.9 10.4 106 106 A N T 3<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.277 118.2-114.4 -93.2 9.7 -13.6 27.0 8.9 107 107 A K T < 5 + 0 0 182 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.801 64.5 149.0 62.4 33.0 -12.9 23.3 9.0 108 108 A I < - 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0 0 25 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.3 -0.331 20.9-106.7 118.0 158.4 -12.8 27.1 -21.8 196 196 A D S S+ 0 0 149 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.323 103.1 68.5-102.7 6.0 -15.9 29.3 -21.9 197 197 A D S S+ 0 0 110 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.2 0.174 88.4 66.2-116.3 14.7 -18.2 27.1 -19.7 198 198 A I S S- 0 0 29 -3,-0.4 2,-0.4 -14,-0.0 -12,-0.1 -0.895 88.3 -95.2-129.3 162.2 -16.6 27.5 -16.2 199 199 A V E -e 186 0A 35 -14,-0.7 -12,-2.5 -2,-0.3 2,-0.4 -0.647 47.4-176.2 -73.3 131.1 -16.0 30.3 -13.7 200 200 A I E -e 187 0A 41 -2,-0.4 -12,-0.2 -14,-0.2 3,-0.0 -0.991 16.4-157.8-131.7 139.2 -12.6 31.8 -14.2 201 201 A V E -e 188 0A 5 -14,-2.5 -12,-2.3 -2,-0.4 3,-0.1 -0.861 23.6-128.9-110.1 152.3 -10.8 34.5 -12.2 202 202 A P S S- 0 0 88 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 0.810 85.4 -1.9 -73.9 -28.7 -7.9 36.5 -13.8 203 203 A D S > S- 0 0 69 -15,-0.1 3,-1.6 -3,-0.0 4,-0.1 -0.948 79.2 -95.7-154.6 171.4 -5.5 35.9 -11.0 204 204 A T G > S+ 0 0 5 -2,-0.3 3,-1.7 1,-0.3 -192,-0.0 0.622 106.9 78.4 -74.4 -13.5 -5.2 34.2 -7.6 205 205 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -110,-0.1 -110,-0.1 0.737 90.7 60.2 -62.7 -19.3 -6.0 37.3 -5.5 206 206 A H G < S+ 0 0 82 -3,-1.6 2,-1.8 1,-0.1 -1,-0.3 0.550 77.2 96.8 -83.2 -9.3 -9.6 36.6 -6.5 207 207 A Y < + 0 0 2 -3,-1.7 2,-0.3 -113,-0.2 -108,-0.1 -0.570 54.7 150.2 -81.2 78.0 -9.5 33.2 -4.8 208 208 A T > - 0 0 58 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.792 59.2-119.4-107.2 155.5 -11.2 34.2 -1.6 209 209 A L H > S+ 0 0 17 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.914 116.9 54.8 -57.9 -41.6 -13.3 32.1 0.7 210 210 A E H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 109.7 45.9 -57.3 -45.7 -16.2 34.5 0.2 211 211 A F H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.940 111.2 51.2 -65.7 -46.8 -15.9 34.2 -3.6 212 212 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.876 111.4 49.1 -56.1 -39.8 -15.7 30.3 -3.5 213 213 A K H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 110.5 49.8 -68.3 -42.1 -18.8 30.3 -1.3 214 214 A E H X S+ 0 0 81 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.910 112.1 48.1 -61.4 -44.0 -20.7 32.6 -3.7 215 215 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.921 110.1 52.0 -65.0 -43.0 -19.8 30.5 -6.7 216 216 A W H X S+ 0 0 18 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.928 113.1 44.4 -56.4 -47.9 -20.8 27.2 -4.9 217 217 A L H >< S+ 0 0 116 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.895 114.1 49.4 -67.0 -40.8 -24.2 28.7 -4.1 218 218 A Q H >< S+ 0 0 105 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.817 107.1 56.7 -64.0 -32.5 -24.7 30.1 -7.6 219 219 A K H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.618 98.7 58.8 -82.2 -16.1 -23.7 26.8 -9.2 220 220 A Q T << 0 0 123 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.1 -0.323 360.0 360.0-108.0 47.9 -26.4 24.8 -7.4 221 221 A K < 0 0 227 -3,-0.7 -2,-0.1 0, 0.0 -3,-0.1 -0.107 360.0 360.0-133.9 360.0 -29.3 26.8 -8.8