==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-DEC-08 3FM9 . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. LACTIS; . AUTHOR L.FINCI,S.LAHIRI,E.PEISACH,K.N.ALLEN . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 67.7 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 . 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 4 0 0 0 1 0 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 0 104 0, 0.0 2,-0.1 0, 0.0 212,-0.0 0.000 360.0 360.0 360.0 145.5 -21.4 4.5 -0.8 2 2 A F - 0 0 2 1,-0.1 163,-0.2 211,-0.0 162,-0.1 -0.399 360.0-160.3 -75.9 153.5 -18.2 6.0 0.5 3 3 A K + 0 0 111 161,-2.9 106,-1.7 158,-0.2 2,-0.3 0.433 66.0 21.5-118.6 0.9 -16.2 8.1 -1.8 4 4 A A E -ab 109 165A 0 160,-1.0 162,-1.6 104,-0.2 2,-0.4 -0.985 55.8-144.4-159.4 163.5 -12.7 8.1 -0.2 5 5 A V E -ab 110 166A 0 104,-1.4 106,-2.3 -2,-0.3 2,-0.5 -0.995 14.7-152.2-136.7 132.0 -10.4 6.2 2.1 6 6 A L E -ab 111 167A 0 160,-2.8 162,-2.5 -2,-0.4 2,-0.4 -0.925 14.8-162.9-113.5 122.2 -7.9 7.9 4.4 7 7 A F E -ab 112 168A 0 104,-2.6 106,-3.9 -2,-0.5 2,-0.3 -0.834 14.6-148.3-108.3 135.9 -4.7 6.1 5.4 8 8 A D - 0 0 14 160,-1.1 5,-0.4 -2,-0.4 106,-0.2 -0.695 18.0-142.1 -85.3 156.1 -2.2 6.6 8.2 9 9 A L S >>>S+ 0 0 0 -2,-0.3 4,-2.6 3,-0.2 3,-1.5 0.955 79.1 59.2 -79.2 -77.9 1.3 5.5 7.2 10 10 A D B 345S+f 14 0B 51 1,-0.2 160,-0.3 2,-0.2 5,-0.2 -0.288 118.5 11.1 -53.6 129.3 2.8 3.9 10.3 11 11 A G T 345S+ 0 0 10 3,-2.4 -1,-0.2 1,-0.1 4,-0.1 0.120 131.1 49.3 92.9 -21.5 0.8 0.9 11.5 12 12 A V T <45S+ 0 0 0 -3,-1.5 -2,-0.2 2,-0.3 -3,-0.2 0.748 123.0 18.7-114.5 -52.2 -1.4 0.6 8.4 13 13 A I T <5S- 0 0 0 -4,-2.6 80,-3.4 -5,-0.4 2,-0.3 0.790 131.3 -2.6 -93.3 -33.0 0.8 0.7 5.3 14 14 A T B < -f 10 0B 8 -5,-1.4 -3,-2.4 78,-0.2 -1,-0.3 -0.973 62.3-116.4-157.3 162.4 4.2 -0.2 6.8 15 15 A D > + 0 0 75 76,-0.5 3,-0.6 -2,-0.3 4,-0.3 -0.896 23.7 179.4-112.7 102.0 6.0 -1.0 10.1 16 16 A P T >> + 0 0 18 0, 0.0 4,-2.0 0, 0.0 3,-1.3 0.614 57.6 99.8 -74.8 -16.1 8.6 1.7 10.8 17 17 A A H 3> S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.818 78.2 49.7 -41.9 -52.6 9.6 -0.0 14.0 18 18 A E H <> S+ 0 0 88 -3,-0.6 4,-2.1 1,-0.2 -1,-0.3 0.857 112.4 49.7 -61.0 -33.1 12.7 -1.8 12.7 19 19 A Y H <> S+ 0 0 22 -3,-1.3 4,-1.5 -4,-0.3 -1,-0.2 0.862 110.2 47.7 -78.1 -36.6 14.0 1.4 11.2 20 20 A H H X S+ 0 0 49 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.794 111.3 55.6 -67.4 -28.6 13.5 3.5 14.4 21 21 A F H X S+ 0 0 13 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.941 106.2 46.8 -68.2 -49.0 15.2 0.6 16.2 22 22 A R H X S+ 0 0 92 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.855 112.4 53.2 -63.8 -33.0 18.4 0.7 14.0 23 23 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.917 112.6 41.9 -66.7 -45.2 18.4 4.5 14.5 24 24 A W H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.805 112.3 54.0 -73.4 -32.3 18.3 4.3 18.3 25 25 A K H X S+ 0 0 92 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.929 108.3 50.6 -65.7 -44.6 20.8 1.4 18.4 26 26 A A H X S+ 0 0 33 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.906 111.3 48.9 -56.3 -44.5 23.2 3.5 16.4 27 27 A L H X S+ 0 0 3 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.906 112.4 46.3 -64.5 -41.8 22.8 6.4 18.8 28 28 A A H <>S+ 0 0 4 -4,-2.1 5,-2.7 1,-0.2 3,-0.2 0.801 110.0 52.4 -77.2 -28.3 23.3 4.4 22.0 29 29 A E H ><5S+ 0 0 155 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.910 109.2 53.2 -64.0 -40.3 26.4 2.5 20.7 30 30 A E H 3<5S+ 0 0 104 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.597 115.1 37.0 -78.8 -14.8 27.8 5.9 19.9 31 31 A I T 3<5S- 0 0 41 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.140 114.2-108.8-123.3 19.5 27.3 7.4 23.3 32 32 A G T < 5 + 0 0 68 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.849 63.0 148.3 67.0 43.2 28.1 4.3 25.3 33 33 A I < - 0 0 15 -5,-2.7 3,-0.5 -6,-0.1 2,-0.3 -0.944 33.4-146.3-117.8 126.5 24.7 3.3 26.7 34 34 A N + 0 0 149 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.602 67.8 46.0 -86.2 142.0 23.7 -0.3 27.4 35 35 A G + 0 0 40 -2,-0.3 2,-1.8 1,-0.1 5,-0.2 0.302 56.9 128.7 120.2 -10.3 20.2 -1.7 27.1 36 36 A V + 0 0 17 -3,-0.5 2,-0.2 -12,-0.1 -1,-0.1 -0.584 37.3 140.2 -82.3 83.5 18.7 -0.6 23.8 37 37 A D >> - 0 0 88 -2,-1.8 4,-2.3 -3,-0.1 3,-0.8 -0.675 68.7 -86.2-115.0 174.0 17.6 -4.0 22.4 38 38 A R H 3> S+ 0 0 112 1,-0.3 4,-2.5 -2,-0.2 -2,-0.0 0.879 125.6 51.5 -48.4 -50.3 14.5 -5.0 20.5 39 39 A Q H 3> S+ 0 0 129 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.835 110.4 49.8 -59.5 -35.3 12.3 -5.7 23.6 40 40 A F H X4 S+ 0 0 23 -3,-0.8 3,-0.7 -5,-0.2 -1,-0.2 0.876 108.0 54.2 -69.8 -39.9 13.2 -2.2 24.9 41 41 A N H >< S+ 0 0 16 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.955 94.9 67.7 -58.1 -49.2 12.3 -0.7 21.5 42 42 A E H >< S+ 0 0 107 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.809 94.4 58.8 -41.6 -38.2 8.8 -2.3 21.6 43 43 A Q T << S+ 0 0 109 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.1 0.011 93.7 67.8 -86.3 31.4 8.0 0.0 24.6 44 44 A L T X + 0 0 12 -3,-2.2 3,-1.8 3,-0.0 -1,-0.3 0.223 66.7 140.1-122.6 7.1 8.7 3.1 22.4 45 45 A K T < S- 0 0 167 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.300 83.5 -6.8 -58.2 128.7 5.7 2.5 20.1 46 46 A G T 3 S+ 0 0 89 1,-0.2 2,-0.5 125,-0.0 -1,-0.3 0.888 100.8 144.4 47.7 43.4 4.1 5.9 19.3 47 47 A V < - 0 0 47 -3,-1.8 -1,-0.2 1,-0.1 5,-0.1 -0.964 56.4-102.7-112.6 129.9 6.4 7.6 21.8 48 48 A S > - 0 0 47 -2,-0.5 4,-3.0 1,-0.1 5,-0.2 0.033 24.5-121.5 -41.6 148.5 7.7 11.1 21.1 49 49 A R H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.932 116.2 46.3 -59.3 -44.3 11.3 11.4 19.9 50 50 A E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 114.7 45.8 -66.8 -41.8 12.1 13.6 22.8 51 51 A D H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 110.4 56.1 -65.1 -40.2 10.3 11.2 25.3 52 52 A S H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.934 107.9 47.2 -56.7 -50.6 12.1 8.3 23.6 53 53 A L H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.896 106.3 56.4 -60.9 -44.0 15.5 9.8 24.2 54 54 A Q H X S+ 0 0 79 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.920 107.4 50.5 -57.4 -41.1 14.9 10.7 27.9 55 55 A K H X S+ 0 0 80 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.902 110.8 48.8 -60.1 -42.5 14.0 7.0 28.5 56 56 A I H >< S+ 0 0 3 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.903 111.5 49.3 -66.0 -41.4 17.2 6.0 26.8 57 57 A L H ><>S+ 0 0 2 -4,-3.1 5,-2.1 1,-0.2 3,-1.9 0.902 104.1 60.6 -60.8 -40.5 19.2 8.5 28.9 58 58 A D H ><5S+ 0 0 86 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.699 84.6 78.0 -64.4 -18.5 17.5 7.1 32.0 59 59 A L T <<5S+ 0 0 75 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.656 112.0 23.5 -64.2 -15.2 19.0 3.7 31.3 60 60 A A T < 5S- 0 0 60 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.140 110.3-110.7-136.0 13.3 22.3 5.1 32.7 61 61 A D T < 5 + 0 0 123 -3,-0.9 -3,-0.2 1,-0.2 2,-0.2 0.819 59.6 175.8 57.3 31.8 20.9 7.9 34.9 62 62 A K < - 0 0 87 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.2 -0.454 20.1-159.9 -76.4 136.7 22.5 10.2 32.3 63 63 A K + 0 0 147 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.975 13.8 177.2-120.7 121.7 22.1 13.9 32.6 64 64 A V - 0 0 39 -2,-0.5 5,-0.0 1,-0.1 -7,-0.0 -0.877 30.9-103.2-122.2 155.7 22.7 16.2 29.6 65 65 A S > - 0 0 76 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.224 36.9-107.4 -67.7 165.0 22.3 19.9 28.9 66 66 A A H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.852 122.1 50.5 -63.5 -34.5 19.3 21.3 27.0 67 67 A E H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.852 111.1 48.7 -70.7 -34.1 21.6 22.0 24.0 68 68 A E H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.828 106.5 57.1 -75.1 -33.4 22.9 18.4 24.1 69 69 A F H X S+ 0 0 44 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.900 111.7 41.1 -63.2 -43.4 19.4 16.9 24.4 70 70 A K H X S+ 0 0 140 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.846 113.7 53.2 -77.1 -33.0 18.3 18.6 21.2 71 71 A E H X S+ 0 0 96 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.894 109.7 49.3 -65.1 -40.4 21.6 17.9 19.4 72 72 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.812 109.6 50.6 -70.8 -32.5 21.3 14.1 20.3 73 73 A A H X S+ 0 0 5 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.829 109.0 51.3 -75.2 -34.3 17.7 13.9 19.0 74 74 A K H X S+ 0 0 122 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.949 105.9 55.3 -62.5 -48.4 18.6 15.4 15.7 75 75 A R H X S+ 0 0 74 -4,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.755 106.7 51.7 -59.4 -25.0 21.4 13.0 15.3 76 76 A K H X S+ 0 0 7 -4,-0.7 4,-2.8 2,-0.2 -1,-0.3 0.908 106.2 53.1 -76.3 -45.1 18.9 10.2 15.8 77 77 A N H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.857 107.3 53.5 -52.9 -38.3 16.7 11.7 13.1 78 78 A D H X S+ 0 0 57 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.943 108.6 47.1 -67.1 -46.1 19.7 11.7 10.8 79 79 A N H X S+ 0 0 15 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.921 109.2 55.9 -58.1 -45.6 20.3 8.0 11.4 80 80 A Y H X S+ 0 0 13 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.892 107.5 48.9 -51.3 -43.7 16.6 7.3 10.8 81 81 A V H < S+ 0 0 51 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.841 109.4 50.4 -71.8 -33.3 16.9 9.0 7.4 82 82 A K H >< S+ 0 0 123 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.847 112.2 52.1 -62.1 -36.2 20.0 7.0 6.4 83 83 A M H >< S+ 0 0 32 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.906 98.1 59.6 -71.8 -42.5 18.1 3.9 7.4 84 84 A I G >< S+ 0 0 1 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.612 81.2 84.8 -73.1 -8.2 14.9 4.5 5.4 85 85 A Q G < S+ 0 0 91 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.729 87.4 58.8 -55.4 -23.5 16.9 4.4 2.2 86 86 A D G < S+ 0 0 95 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.491 78.7 115.9 -87.0 -6.0 16.4 0.7 2.6 87 87 A V < + 0 0 6 -3,-2.0 -3,-0.0 -4,-0.1 0, 0.0 -0.385 40.6 155.5 -63.9 141.7 12.6 0.9 2.5 88 88 A S > - 0 0 44 38,-0.1 3,-3.2 -2,-0.1 4,-0.4 -0.924 60.0 -71.6-156.6 178.0 11.1 -0.9 -0.5 89 89 A P G > S+ 0 0 78 0, 0.0 3,-0.5 0, 0.0 37,-0.1 0.668 123.1 67.9 -56.6 -15.4 7.9 -2.6 -1.9 90 90 A A G 3 S+ 0 0 90 1,-0.2 36,-0.1 0, 0.0 -3,-0.1 0.640 91.0 64.1 -75.5 -10.9 8.7 -5.5 0.5 91 91 A D G < S+ 0 0 40 -3,-3.2 -76,-0.5 -77,-0.1 -1,-0.2 0.712 75.2 110.1 -85.9 -20.2 7.9 -3.1 3.3 92 92 A V S < S- 0 0 28 -3,-0.5 -78,-0.2 -4,-0.4 3,-0.1 -0.340 73.9-118.0 -58.6 122.9 4.3 -2.8 2.3 93 93 A Y >> - 0 0 68 -80,-3.4 3,-0.8 1,-0.1 4,-0.6 -0.060 42.1 -81.6 -52.5 162.6 1.9 -4.5 4.8 94 94 A P T 34 S+ 0 0 77 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.503 110.7 15.6 -75.8 142.3 -0.3 -7.4 3.5 95 95 A G T 3> S+ 0 0 31 -2,-0.2 4,-1.8 -3,-0.1 5,-0.1 0.185 100.5 98.4 86.7 -15.8 -3.6 -6.6 1.7 96 96 A I H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 5,-0.3 0.929 78.1 48.0 -78.5 -43.3 -2.6 -3.0 1.1 97 97 A L H X S+ 0 0 75 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.921 115.9 46.6 -58.3 -41.0 -1.2 -3.2 -2.5 98 98 A Q H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.891 112.8 49.7 -70.2 -37.5 -4.4 -5.1 -3.6 99 99 A L H X S+ 0 0 2 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.926 109.0 50.2 -65.5 -47.6 -6.7 -2.7 -1.8 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 5,-0.2 0.901 111.3 50.6 -62.7 -37.8 -5.2 0.4 -3.3 101 101 A K H X S+ 0 0 76 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.3 0.885 112.3 45.6 -65.2 -39.2 -5.5 -1.2 -6.6 102 102 A D H X S+ 0 0 58 -4,-1.9 4,-1.9 2,-0.2 6,-0.2 0.864 112.0 52.8 -73.9 -36.3 -9.2 -2.1 -6.0 103 103 A L H <>S+ 0 0 0 -4,-3.3 5,-2.1 2,-0.2 -2,-0.2 0.920 112.1 44.0 -62.1 -44.4 -9.9 1.4 -4.7 104 104 A R H ><5S+ 0 0 130 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.902 111.0 56.6 -66.5 -37.8 -8.4 3.1 -7.8 105 105 A S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.892 108.4 44.7 -63.1 -43.1 -10.2 0.6 -10.0 106 106 A N T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.155 116.7-112.8 -88.1 16.7 -13.6 1.5 -8.6 107 107 A K T < 5 + 0 0 180 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.637 64.5 151.5 63.7 17.6 -12.8 5.3 -8.8 108 108 A I < - 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0 0 59 -2,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.791 57.4-121.3-113.1 161.2 -10.4 -5.6 1.6 209 209 A L H > S+ 0 0 13 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.973 114.4 55.4 -62.6 -52.1 -12.7 -3.5 -0.6 210 210 A E H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 111.8 44.4 -43.3 -46.9 -15.5 -6.1 -0.2 211 211 A F H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 108.6 53.7 -73.0 -40.2 -15.2 -5.8 3.5 212 212 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.931 109.4 52.0 -60.8 -42.3 -15.0 -2.0 3.7 213 213 A K H X S+ 0 0 74 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.922 107.5 51.0 -56.6 -47.3 -18.2 -1.9 1.7 214 214 A E H X S+ 0 0 88 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.956 113.8 44.0 -57.3 -53.7 -20.0 -4.3 4.1 215 215 A V H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.930 110.6 53.7 -53.7 -53.3 -19.1 -2.3 7.1 216 216 A W H < S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.2 42.9 -54.1 -44.6 -20.0 1.0 5.5 217 217 A L H >< S+ 0 0 106 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.2 0.884 110.1 55.5 -67.3 -43.0 -23.4 -0.3 4.6 218 218 A Q H 3< S+ 0 0 140 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.925 103.7 56.4 -55.3 -40.4 -23.9 -1.9 8.0 219 219 A K T 3< 0 0 101 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.422 360.0 360.0 -74.0 4.0 -23.2 1.5 9.6 220 220 A Q < 0 0 154 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.434 360.0 360.0-136.3 360.0 -26.1 2.8 7.5