==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-APR-09 2WF7 . 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, . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 0 0.0 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 1 0 2 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 106 0, 0.0 212,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 -8.8 22.4 -14.6 2 2 A F - 0 0 3 1,-0.1 163,-0.2 210,-0.1 3,-0.1 -0.323 360.0-161.4 -61.2 148.9 -10.1 18.8 -14.8 3 3 A K + 0 0 130 161,-3.1 106,-2.3 158,-0.2 2,-0.3 0.469 65.5 28.8-114.7 -7.9 -13.9 18.5 -14.2 4 4 A A E -ab 109 165A 0 160,-1.0 162,-2.0 104,-0.2 2,-0.4 -0.991 55.9-149.0-150.9 151.7 -14.2 14.8 -13.4 5 5 A V E -ab 110 166A 0 104,-2.3 106,-2.2 -2,-0.3 2,-0.6 -0.998 15.6-155.0-120.7 129.6 -12.3 11.9 -11.9 6 6 A L E -ab 111 167A 0 160,-3.0 162,-2.3 -2,-0.4 2,-0.5 -0.921 16.3-154.2-109.4 110.8 -13.2 8.4 -13.2 7 7 A F E -ab 112 168A 0 104,-2.9 106,-2.8 -2,-0.6 2,-0.1 -0.798 14.0-153.1 -98.0 123.8 -12.4 5.7 -10.7 8 8 A D - 0 0 5 160,-2.1 106,-0.2 -2,-0.5 5,-0.1 -0.477 18.3-152.6 -65.6 160.5 -11.6 2.1 -11.3 9 9 A L >>> + 0 0 0 3,-0.2 4,-2.4 -2,-0.1 3,-2.2 0.846 66.5 70.2-103.5 -64.5 -12.7 0.1 -8.2 10 10 A D B 345S+f 14 0B 22 1,-0.3 160,-0.3 2,-0.2 5,-0.2 -0.395 119.3 2.9 -70.0 122.8 -10.6 -3.1 -7.6 11 11 A G T 345S+ 0 0 6 3,-2.5 -1,-0.3 -2,-0.2 4,-0.1 0.469 132.3 59.6 82.0 1.5 -7.0 -2.2 -6.6 12 12 A V T <45S+ 0 0 0 -3,-2.2 -2,-0.2 2,-0.4 -3,-0.2 0.636 115.0 23.0-120.9 -54.8 -7.8 1.6 -6.6 13 13 A I T <5S- 0 0 0 -4,-2.4 80,-2.8 1,-0.2 2,-0.3 0.822 136.7 -8.9 -83.8 -34.4 -10.6 2.1 -4.0 14 14 A T B > > S+ 0 0 72 76,-0.5 3,-0.8 -2,-0.3 4,-0.7 -0.015 78.7 119.3 -81.5 32.4 -7.8 -4.3 -2.1 16 16 A T H 3> + 0 0 1 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.650 59.4 74.3 -79.5 -11.9 -10.3 -6.4 -4.1 17 17 A A H <> S+ 0 0 15 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.910 96.4 53.0 -59.0 -38.0 -7.9 -7.0 -7.0 18 18 A E H <> S+ 0 0 29 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.890 108.6 48.6 -60.5 -42.7 -6.2 -9.4 -4.5 19 19 A Y H X S+ 0 0 65 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.900 109.6 50.6 -68.1 -42.5 -9.5 -11.2 -3.9 20 20 A H H X S+ 0 0 33 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.922 111.6 50.0 -58.8 -43.4 -10.3 -11.5 -7.7 21 21 A F H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.946 111.5 47.0 -60.2 -50.0 -6.8 -13.0 -8.1 22 22 A R H X S+ 0 0 148 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 115.0 46.7 -60.8 -40.8 -7.3 -15.5 -5.3 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.924 113.8 46.8 -68.3 -43.2 -10.7 -16.5 -6.6 24 24 A W H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.886 112.1 50.5 -66.8 -39.1 -9.5 -16.9 -10.3 25 25 A K H X S+ 0 0 59 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.922 109.9 50.4 -65.6 -43.3 -6.5 -18.9 -9.3 26 26 A A H X S+ 0 0 39 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.908 113.2 46.9 -58.9 -43.4 -8.7 -21.2 -7.1 27 27 A L H X S+ 0 0 2 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.957 110.8 51.1 -61.2 -52.3 -11.0 -21.7 -10.1 28 28 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.7 0.927 111.0 48.5 -54.2 -47.2 -8.2 -22.3 -12.6 29 29 A E H ><5S+ 0 0 102 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.850 102.2 61.8 -66.1 -34.9 -6.6 -24.9 -10.3 30 30 A E H 3<5S+ 0 0 123 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.4 44.1 -59.0 -30.5 -10.0 -26.7 -9.8 31 31 A I T <<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.255 126.5-102.9 -99.9 13.4 -9.9 -27.3 -13.6 32 32 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.737 80.2 127.4 80.9 24.4 -6.2 -28.3 -13.6 33 33 A I < + 0 0 8 -5,-2.5 3,-0.3 -6,-0.2 -1,-0.2 -0.959 26.0 171.8-113.1 109.3 -4.7 -25.1 -14.9 34 34 A N + 0 0 61 -2,-0.6 -1,-0.1 1,-0.1 -5,-0.1 0.210 48.7 98.2-108.8 30.6 -1.9 -23.7 -12.8 35 35 A G + 0 0 31 21,-0.1 2,-1.7 1,-0.1 5,-0.2 0.425 51.7 108.5 -83.7 -1.5 -0.4 -20.9 -14.7 36 36 A V + 0 0 0 -3,-0.3 2,-0.2 -11,-0.1 -1,-0.1 -0.580 44.3 141.4 -84.5 82.9 -2.4 -18.3 -12.8 37 37 A D S > S- 0 0 70 -2,-1.7 4,-2.6 -12,-0.0 -2,-0.0 -0.499 70.1 -86.1-107.9-179.6 0.3 -16.7 -10.8 38 38 A R H > S+ 0 0 142 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.882 127.4 51.7 -60.4 -37.4 0.8 -13.0 -9.9 39 39 A Q H >4 S+ 0 0 163 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.957 112.9 43.7 -63.1 -50.4 2.7 -12.3 -13.1 40 40 A F H >4 S+ 0 0 19 1,-0.2 3,-2.3 -5,-0.2 4,-0.4 0.879 103.7 67.7 -60.4 -38.0 0.0 -13.8 -15.3 41 41 A N H >X S+ 0 0 10 -4,-2.6 4,-1.6 1,-0.3 3,-1.4 0.734 81.9 73.6 -60.4 -21.8 -2.6 -12.0 -13.2 42 42 A E T << S+ 0 0 20 -3,-1.1 130,-0.5 -4,-0.8 131,-0.4 0.828 95.3 53.4 -59.5 -26.9 -1.4 -8.7 -14.5 43 43 A Q T <4 S+ 0 0 108 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.622 108.8 50.2 -78.6 -15.4 -3.1 -9.8 -17.8 44 44 A L T X4 S+ 0 0 7 -3,-1.4 3,-1.7 -4,-0.4 -2,-0.2 0.681 82.5 104.4 -94.1 -25.2 -6.4 -10.4 -15.8 45 45 A K T 3< S+ 0 0 51 -4,-1.6 128,-0.6 1,-0.2 129,-0.2 -0.357 93.0 11.3 -60.0 136.9 -6.6 -7.1 -14.0 46 46 A G T 3 S+ 0 0 18 1,-0.2 99,-0.3 127,-0.1 -1,-0.2 0.180 100.1 121.6 85.1 -16.6 -9.3 -4.8 -15.5 47 47 A V < - 0 0 17 -3,-1.7 -1,-0.2 1,-0.1 5,-0.1 -0.540 67.0-104.9 -88.5 143.4 -10.7 -7.6 -17.7 48 48 A S > - 0 0 16 97,-0.4 4,-2.6 -2,-0.2 5,-0.2 -0.035 33.4-102.1 -62.5 169.6 -14.3 -8.7 -17.5 49 49 A R H > S+ 0 0 57 66,-0.2 4,-2.1 1,-0.2 5,-0.2 0.942 121.6 39.9 -59.1 -51.1 -15.5 -11.9 -15.7 50 50 A E H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 115.6 51.4 -70.4 -38.7 -16.0 -13.9 -19.0 51 51 A D H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 108.9 53.0 -65.1 -34.4 -12.9 -12.4 -20.7 52 52 A S H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 109.2 47.6 -64.3 -48.7 -10.9 -13.4 -17.6 53 53 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.924 111.5 51.5 -58.7 -43.1 -12.1 -17.0 -17.7 54 54 A Q H X S+ 0 0 72 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.892 107.8 51.5 -63.0 -40.2 -11.3 -17.2 -21.4 55 55 A K H X S+ 0 0 86 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 110.7 49.5 -62.6 -37.6 -7.8 -15.9 -20.9 56 56 A I H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.936 113.2 45.6 -66.5 -46.6 -7.3 -18.6 -18.3 57 57 A L H <>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 4,-0.4 0.904 113.1 50.9 -59.9 -42.3 -8.6 -21.3 -20.6 58 58 A D H ><5S+ 0 0 92 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.861 100.8 62.0 -67.0 -37.0 -6.5 -19.9 -23.5 59 59 A L H 3<5S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.886 114.9 34.7 -50.4 -40.2 -3.4 -20.0 -21.3 60 60 A A T 3<5S- 0 0 38 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.377 107.8-120.8 -96.9 -0.8 -3.9 -23.8 -21.1 61 61 A D T < 5 + 0 0 144 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.785 59.3 161.6 61.6 30.0 -5.3 -24.4 -24.6 62 62 A K < - 0 0 79 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.645 31.1-159.5 -96.3 143.1 -8.4 -25.8 -22.9 63 63 A K + 0 0 197 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.0 -0.785 15.7 176.0-126.4 87.8 -11.8 -26.2 -24.6 64 64 A V - 0 0 35 -2,-0.5 2,-0.0 1,-0.1 -7,-0.0 -0.423 35.6 -96.2 -92.0 161.8 -14.9 -26.5 -22.3 65 65 A S > - 0 0 60 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.324 33.5-112.2 -68.6 159.1 -18.5 -26.7 -23.2 66 66 A A H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 120.9 52.9 -57.0 -40.3 -20.7 -23.6 -23.2 67 67 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 110.6 45.6 -62.5 -44.8 -22.6 -25.0 -20.2 68 68 A E H > S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.893 108.9 56.4 -66.3 -39.6 -19.3 -25.6 -18.3 69 69 A F H X S+ 0 0 43 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.945 109.4 46.0 -56.1 -49.5 -18.1 -22.1 -19.2 70 70 A K H X S+ 0 0 150 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.907 113.2 49.8 -60.6 -42.6 -21.2 -20.5 -17.7 71 71 A E H X S+ 0 0 80 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.893 109.9 50.7 -64.6 -41.1 -20.9 -22.7 -14.6 72 72 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.911 110.4 48.2 -64.5 -44.6 -17.2 -21.9 -14.1 73 73 A A H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.918 114.4 47.2 -61.9 -41.9 -17.8 -18.1 -14.3 74 74 A K H X S+ 0 0 112 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.901 109.9 53.4 -65.3 -41.8 -20.7 -18.4 -11.8 75 75 A R H X S+ 0 0 80 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.930 110.3 46.6 -59.2 -48.0 -18.6 -20.6 -9.5 76 76 A K H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.927 113.5 48.8 -61.0 -44.4 -15.9 -18.0 -9.4 77 77 A N H X S+ 0 0 26 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.915 108.8 52.5 -63.9 -41.7 -18.4 -15.2 -8.8 78 78 A D H X S+ 0 0 73 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.902 112.4 46.0 -60.0 -41.3 -20.2 -17.1 -6.0 79 79 A N H X S+ 0 0 68 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.946 113.5 48.7 -64.2 -49.2 -16.8 -17.6 -4.3 80 80 A Y H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.913 108.9 53.3 -56.7 -45.7 -15.8 -14.0 -4.8 81 81 A V H < S+ 0 0 39 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.885 108.8 49.6 -62.5 -37.9 -19.1 -12.7 -3.5 82 82 A K H >< S+ 0 0 168 -4,-1.8 3,-1.3 -5,-0.2 4,-0.3 0.938 108.4 54.8 -62.6 -42.2 -18.6 -14.8 -0.3 83 83 A M H >< S+ 0 0 60 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.865 108.0 48.1 -57.1 -39.8 -15.1 -13.3 0.1 84 84 A I G >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.428 78.8 98.6 -88.6 3.3 -16.3 -9.8 0.0 85 85 A Q G < S+ 0 0 90 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.849 86.1 47.8 -60.3 -34.1 -19.2 -9.9 2.5 86 86 A D G < S+ 0 0 151 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.412 78.5 126.8 -91.0 3.7 -17.0 -8.6 5.4 87 87 A V < + 0 0 1 -3,-1.6 -3,-0.0 3,-0.1 0, 0.0 -0.344 37.1 168.4 -55.1 138.9 -15.6 -5.6 3.4 88 88 A S > - 0 0 33 38,-0.1 3,-2.2 39,-0.0 4,-0.3 -0.851 53.7 -80.7-144.5 178.1 -16.2 -2.5 5.4 89 89 A P G > S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 37,-0.1 0.808 122.5 68.4 -58.7 -24.8 -15.2 1.2 5.5 90 90 A A G 3 S+ 0 0 89 1,-0.3 36,-0.1 0, 0.0 -3,-0.1 0.697 92.9 60.4 -65.8 -18.2 -12.0 0.1 7.3 91 91 A D G < S+ 0 0 61 -3,-2.2 -76,-0.5 2,-0.1 -1,-0.3 0.467 72.3 118.4 -90.0 -2.9 -11.0 -1.5 4.0 92 92 A V B < S-G 14 0B 25 -3,-1.5 -78,-0.2 -4,-0.3 3,-0.1 -0.434 73.9-109.3 -63.0 135.0 -11.0 1.7 1.9 93 93 A Y >> - 0 0 59 -80,-2.8 3,-1.6 1,-0.1 4,-0.6 -0.250 44.0 -79.0 -65.8 153.7 -7.5 2.3 0.7 94 94 A P T 34 S+ 0 0 78 0, 0.0 113,-0.2 0, 0.0 -1,-0.1 -0.218 113.1 9.9 -50.9 136.3 -5.3 5.1 2.1 95 95 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.0 110,-0.1 5,-0.2 0.089 99.5 100.6 86.8 -25.4 -6.2 8.5 0.7 96 96 A I H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.919 79.6 46.8 -69.5 -46.5 -9.3 7.5 -1.1 97 97 A L H X S+ 0 0 65 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.935 115.7 46.8 -61.1 -43.3 -12.0 8.8 1.3 98 98 A Q H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.866 109.9 54.1 -66.4 -36.8 -10.3 12.1 1.7 99 99 A L H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.932 108.1 49.6 -60.0 -47.3 -9.8 12.4 -2.1 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.930 112.5 47.4 -58.8 -45.3 -13.6 11.9 -2.6 101 101 A K H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.917 113.6 47.7 -61.0 -44.3 -14.4 14.5 0.1 102 102 A D H X S+ 0 0 57 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.896 109.8 52.5 -69.3 -38.7 -11.9 17.0 -1.4 103 103 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 3,-0.4 0.941 110.2 48.4 -59.7 -46.8 -13.2 16.5 -5.0 104 104 A R H ><5S+ 0 0 103 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.911 108.2 53.8 -62.5 -39.8 -16.8 17.2 -3.9 105 105 A S H 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 110.7 47.4 -63.1 -30.2 -15.7 20.3 -2.1 106 106 A N T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.248 116.1-115.1 -95.0 11.0 -14.1 21.5 -5.3 107 107 A K T < 5 + 0 0 196 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.816 64.0 149.5 61.1 35.1 -17.1 20.7 -7.4 108 108 A I < - 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0 0 48 -2,-0.3 3,-2.1 1,-0.2 5,-0.1 -0.394 47.6 -25.6 -94.2 169.8 -15.2 -3.9 -22.0 145 145 A K T 3 S+ 0 0 4 1,-0.3 -97,-0.4 -99,-0.3 -1,-0.2 -0.265 122.5 38.9 -53.8 138.4 -11.6 -2.9 -21.0 146 146 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.966 106.6 84.3 -82.5 5.6 -9.1 -2.4 -22.7 147 147 A A S < S- 0 0 26 -3,-2.1 3,-0.5 1,-0.1 4,-0.2 -0.400 83.7-130.9 -62.5 146.5 -11.8 -0.7 -24.9 148 148 A P S >> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.531 78.1 105.5 -78.6 -5.9 -12.4 2.8 -23.7 149 149 A D H 3> S+ 0 0 52 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.785 75.5 51.5 -50.5 -44.9 -16.2 2.5 -23.5 150 150 A I H 3> S+ 0 0 5 -3,-0.5 4,-2.0 -7,-0.3 -1,-0.3 0.877 112.7 46.0 -65.1 -35.5 -16.7 2.3 -19.8 151 151 A F H <> S+ 0 0 0 -3,-1.0 4,-2.3 -4,-0.2 -2,-0.2 0.902 112.9 50.1 -71.9 -40.1 -14.5 5.5 -19.2 152 152 A I H X S+ 0 0 74 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 112.3 48.1 -59.4 -44.2 -16.4 7.3 -21.9 153 153 A A H X S+ 0 0 34 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.879 109.9 51.9 -64.5 -40.6 -19.7 6.2 -20.3 154 154 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.929 111.9 46.0 -62.1 -46.2 -18.6 7.3 -16.9 155 155 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-1.0 0.928 113.1 50.1 -62.6 -46.8 -17.6 10.8 -18.1 156 156 A H H ><5S+ 0 0 148 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.878 102.6 61.1 -58.4 -39.2 -20.9 11.1 -20.1 157 157 A A H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 110.3 40.7 -64.0 -22.7 -22.9 10.2 -17.0 158 158 A V T <<5S- 0 0 16 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.256 116.4-111.8-108.0 11.6 -21.5 13.2 -15.1 159 159 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.763 75.8 125.4 69.6 29.5 -21.8 15.6 -18.1 160 160 A V < - 0 0 18 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.936 63.0-115.5-124.1 138.2 -18.0 16.0 -18.5 161 161 A A > - 0 0 48 -2,-0.4 3,-1.9 1,-0.1 -158,-0.2 -0.479 23.3-126.5 -64.7 139.6 -15.8 15.4 -21.6 162 162 A P G > S+ 0 0 31 0, 0.0 3,-2.0 0, 0.0 22,-0.3 0.888 111.3 61.7 -52.4 -38.1 -13.3 12.5 -21.3 163 163 A S G 3 S+ 0 0 71 1,-0.3 19,-0.1 20,-0.2 -2,-0.0 0.647 103.0 50.1 -65.7 -14.7 -10.6 15.0 -22.3 164 164 A E G < S+ 0 0 72 -3,-1.9 -161,-3.1 -162,-0.1 -160,-1.0 0.058 103.0 87.9-106.1 24.4 -11.4 17.1 -19.2 165 165 A S E < -b 4 0A 0 -3,-2.0 19,-2.5 -163,-0.2 2,-0.4 -0.876 63.9-143.5-123.7 153.1 -11.2 14.0 -16.9 166 166 A I E -bd 5 184A 0 -162,-2.0 -160,-3.0 -2,-0.3 2,-0.4 -0.934 17.1-154.0-106.8 136.2 -8.6 12.1 -15.0 167 167 A G E -bd 6 185A 0 17,-2.5 19,-2.3 -2,-0.4 2,-0.5 -0.942 1.4-153.3-110.5 137.9 -8.8 8.2 -14.8 168 168 A L E +bd 7 186A 0 -162,-2.3 -160,-2.1 -2,-0.4 2,-0.3 -0.943 26.7 160.8-113.5 124.9 -7.4 6.3 -11.9 169 169 A E E - d 0 187A 0 17,-1.2 19,-1.9 -2,-0.5 -158,-0.1 -0.983 38.4-165.6-145.7 150.3 -6.3 2.6 -12.6 170 170 A D S S+ 0 0 12 -2,-0.3 2,-0.3 -160,-0.3 -125,-0.1 0.278 71.2 79.8-112.2 3.5 -4.2 -0.2 -11.3 171 171 A S S > S- 0 0 0 1,-0.1 4,-2.3 18,-0.1 5,-0.2 -0.862 72.6-133.0-122.2 151.9 -4.3 -2.4 -14.5 172 172 A Q H > S+ 0 0 83 -130,-0.5 4,-2.0 -2,-0.3 5,-0.2 0.939 111.8 48.1 -58.1 -49.0 -2.6 -2.6 -17.9 173 173 A A H > S+ 0 0 16 -128,-0.6 4,-2.0 -131,-0.4 -1,-0.2 0.905 112.8 48.2 -62.5 -41.4 -6.0 -3.0 -19.6 174 174 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.865 107.3 54.2 -69.2 -38.2 -7.5 -0.1 -17.7 175 175 A I H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.920 110.1 48.4 -60.0 -41.6 -4.6 2.2 -18.4 176 176 A Q H X S+ 0 0 76 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.911 109.8 52.5 -64.5 -42.1 -5.1 1.5 -22.2 177 177 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.908 110.2 47.9 -59.7 -42.8 -8.8 2.1 -21.8 178 178 A I H >X>S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 5,-0.8 0.953 110.9 51.2 -63.4 -49.6 -8.2 5.5 -20.2 179 179 A K H ><5S+ 0 0 70 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.928 111.2 47.4 -50.6 -49.3 -5.7 6.5 -22.9 180 180 A D H 3<5S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.657 105.8 59.3 -75.8 -11.9 -8.1 5.6 -25.7 181 181 A S H <<5S- 0 0 14 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.695 112.0-116.4 -79.9 -24.2 -11.0 7.5 -24.0 182 182 A G T <<5S+ 0 0 46 -4,-1.0 -3,-0.1 -3,-0.9 -17,-0.1 0.230 75.1 124.4 100.1 -11.4 -9.0 10.8 -24.1 183 183 A A < - 0 0 8 -5,-0.8 -1,-0.4 -19,-0.1 -17,-0.2 -0.309 69.3-103.8 -73.5 165.5 -8.8 11.1 -20.3 184 184 A L E -d 166 0A 42 -19,-2.5 -17,-2.5 -22,-0.3 2,-0.3 -0.824 35.5-142.5 -95.1 120.1 -5.5 11.5 -18.5 185 185 A P E -d 167 0A 12 0, 0.0 14,-0.6 0, 0.0 2,-0.4 -0.617 19.2-177.5 -85.2 140.3 -4.4 8.3 -16.7 186 186 A I E -de 168 199A 0 -19,-2.3 -17,-1.2 -2,-0.3 14,-0.2 -0.955 20.8-156.1-127.7 113.2 -2.7 8.2 -13.3 187 187 A G E -de 169 200A 0 12,-2.5 14,-2.7 -2,-0.4 2,-0.4 -0.511 9.6-148.4 -89.4 156.3 -1.8 4.6 -12.5 188 188 A V E + e 0 201A 13 -19,-1.9 2,-0.3 12,-0.2 16,-0.1 -0.990 62.2 40.6-124.5 121.3 -1.2 3.0 -9.1 189 189 A G S S- 0 0 28 12,-2.5 -18,-0.1 -2,-0.4 -2,-0.0 -0.988 97.7 -23.4 146.8-151.6 1.4 0.2 -8.8 190 190 A R >> - 0 0 131 -2,-0.3 4,-2.7 1,-0.1 3,-1.4 -0.789 40.9-139.8 -96.6 134.5 4.8 -0.7 -10.3 191 191 A P H 3> S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.843 105.7 67.9 -59.7 -27.7 6.0 0.9 -13.6 192 192 A E H 34 S+ 0 0 138 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.804 113.7 28.9 -56.4 -32.8 7.4 -2.6 -14.3 193 193 A D H <4 S+ 0 0 35 -3,-1.4 -1,-0.2 2,-0.1 -21,-0.0 0.808 131.6 34.1 -92.7 -39.5 3.7 -3.7 -14.6 194 194 A L H < S- 0 0 11 -4,-2.7 -2,-0.2 1,-0.2 3,-0.1 0.567 110.0-101.8-104.4 -11.3 2.0 -0.5 -15.8 195 195 A G < - 0 0 22 -4,-2.7 3,-0.3 -5,-0.3 -1,-0.2 -0.107 13.1-106.0 109.5 158.6 4.6 1.2 -18.1 196 196 A D S S+ 0 0 157 1,-0.2 -1,-0.1 -4,-0.1 4,-0.1 0.220 102.0 76.1 -99.2 11.8 7.2 4.0 -18.0 197 197 A D S S+ 0 0 98 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.2 0.416 90.4 46.3-109.9 -3.3 5.1 6.3 -20.2 198 198 A I S S- 0 0 32 -3,-0.3 2,-0.4 -7,-0.0 -12,-0.1 -0.850 97.4 -81.7-126.9 170.3 2.4 7.6 -17.8 199 199 A V E -e 186 0A 57 -14,-0.6 -12,-2.5 -2,-0.3 2,-0.4 -0.616 51.5-176.7 -71.2 127.7 2.4 9.0 -14.3 200 200 A I E -e 187 0A 38 -2,-0.4 -12,-0.2 -14,-0.2 -14,-0.0 -0.993 11.5-162.8-129.0 136.2 2.5 6.1 -11.9 201 201 A V E -e 188 0A 4 -14,-2.7 -12,-2.5 -2,-0.4 3,-0.1 -0.873 22.3-131.0-115.6 153.7 2.3 6.3 -8.1 202 202 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 0.735 84.1 1.6 -80.3 -21.5 3.3 3.5 -5.7 203 203 A D S > S- 0 0 66 -15,-0.0 3,-1.5 -14,-0.0 4,-0.1 -0.962 78.8 -99.1-158.6 165.3 0.2 3.5 -3.5 204 204 A T G > S+ 0 0 6 -2,-0.3 3,-1.9 1,-0.3 -192,-0.0 0.608 105.3 81.4 -74.2 -11.6 -3.1 5.4 -3.2 205 205 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -110,-0.1 -110,-0.1 0.798 87.3 63.8 -58.4 -25.8 -1.9 7.8 -0.5 206 206 A H G < S+ 0 0 82 -3,-1.5 2,-1.8 1,-0.1 -1,-0.3 0.607 77.3 93.2 -70.3 -17.5 -0.4 9.6 -3.5 207 207 A Y < + 0 0 0 -3,-1.9 2,-0.3 -113,-0.2 -108,-0.2 -0.613 55.1 143.7 -81.3 80.6 -3.9 10.2 -4.9 208 208 A T > - 0 0 58 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.851 63.6-118.5-109.7 154.3 -4.5 13.6 -3.3 209 209 A L H > S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.909 117.1 58.6 -56.1 -39.8 -6.4 16.5 -5.0 210 210 A E H > S+ 0 0 143 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 108.3 44.5 -56.7 -45.4 -3.1 18.4 -4.7 211 211 A F H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.893 109.1 54.6 -70.4 -39.8 -1.3 15.8 -6.7 212 212 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.912 112.3 45.7 -57.9 -41.5 -4.0 15.5 -9.3 213 213 A K H X S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.898 109.8 54.4 -64.0 -43.3 -3.7 19.3 -9.8 214 214 A E H X S+ 0 0 134 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.929 113.3 42.8 -54.8 -47.4 0.1 19.0 -9.9 215 215 A V H < S+ 0 0 18 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.915 112.7 51.1 -66.9 -45.1 -0.2 16.4 -12.7 216 216 A W H < S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 105.9 54.7 -60.8 -42.0 -2.9 18.2 -14.7 217 217 A L H < 0 0 122 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.825 360.0 360.0 -67.3 -30.4 -0.9 21.5 -14.6 218 218 A Q < 0 0 176 -4,-1.3 -3,-0.1 -5,-0.2 -1,-0.1 0.664 360.0 360.0 56.5 360.0 1.8 19.3 -16.1