==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-08 3F1Y . COMPND 2 MOLECULE: MANNOSYL-3-PHOSPHOGLYCERATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RUBROBACTER XYLANOPHILUS; . AUTHOR S.MACEDO-RIBEIRO,P.J.B.PEREIRA,N.EMPADINHAS,M.S.DA COSTA . 636 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.5 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 . 2 0.3 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 . 62 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 5 2 2 2 6 0 0 2 0 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 3 2 2 2 0 0 0 2 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 . 2 2 0 0 0 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 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 10 A G 0 0 123 0, 0.0 2,-0.1 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 176.8 -116.4 57.1 -17.6 2 11 A P - 0 0 24 0, 0.0 226,-0.1 0, 0.0 3,-0.1 -0.458 360.0-139.1 -68.4 141.8 -113.7 59.2 -19.3 3 12 A A S S- 0 0 64 1,-0.1 2,-0.3 -2,-0.1 599,-0.2 0.735 76.2 -16.6 -73.1 -28.0 -112.0 57.7 -22.4 4 13 A S S > S- 0 0 26 1,-0.1 4,-2.5 598,-0.1 5,-0.2 -0.956 74.2 -89.6-165.9 171.9 -108.5 58.8 -21.5 5 14 A A H > S+ 0 0 7 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.923 126.4 52.6 -57.7 -44.2 -106.5 61.2 -19.3 6 15 A A H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.863 106.9 49.5 -61.5 -42.9 -106.8 63.8 -22.0 7 16 A E H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 114.1 46.6 -65.7 -41.8 -110.5 63.5 -22.3 8 17 A W H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.950 109.6 53.7 -59.6 -48.4 -110.9 63.9 -18.5 9 18 A F H X S+ 0 0 24 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.902 113.0 45.0 -52.1 -44.3 -108.5 66.8 -18.5 10 19 A R H < S+ 0 0 149 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.907 120.2 37.5 -65.4 -46.2 -110.7 68.5 -21.1 11 20 A Q H < S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.686 122.7 39.7 -83.0 -18.3 -114.0 67.8 -19.5 12 21 A R H < S+ 0 0 54 -4,-2.5 221,-2.2 -5,-0.2 2,-0.5 0.166 89.0 94.0-126.8 14.3 -113.1 68.2 -15.8 13 22 A S E < +a 233 0A 27 -4,-0.6 2,-0.2 -3,-0.4 221,-0.2 -0.962 49.9 173.9-110.1 131.5 -110.7 71.2 -15.7 14 23 A Y E -a 234 0A 33 219,-2.2 221,-3.4 -2,-0.5 2,-0.3 -0.764 29.0-126.3-127.9 169.2 -112.2 74.7 -14.9 15 24 A D E > -a 235 0A 68 -2,-0.2 3,-1.7 219,-0.2 4,-0.2 -0.856 27.3-123.4-112.2 152.6 -111.1 78.3 -14.3 16 25 A Y G > S+ 0 0 70 219,-1.5 3,-2.0 -2,-0.3 220,-0.1 0.795 106.9 75.8 -70.5 -21.8 -112.3 80.0 -11.1 17 26 A G G 3 S+ 0 0 50 1,-0.3 -1,-0.3 218,-0.2 219,-0.0 0.645 82.8 65.6 -59.0 -18.6 -113.7 82.7 -13.5 18 27 A Q G < S+ 0 0 108 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.568 99.8 52.7 -83.8 -6.6 -116.5 80.4 -14.4 19 28 A F S < S- 0 0 9 -3,-2.0 -1,-0.2 -4,-0.2 5,-0.1 -0.529 75.3-161.9-129.6 68.8 -118.0 80.5 -10.9 20 29 A P > - 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.181 28.0-121.0 -52.6 142.7 -118.6 84.0 -9.8 21 30 A P H > S+ 0 0 21 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.881 110.0 55.6 -56.6 -44.0 -119.0 84.1 -6.0 22 31 A E H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 109.5 46.2 -49.9 -57.3 -122.5 85.7 -6.1 23 32 A D H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.878 112.2 50.3 -53.7 -48.3 -123.8 82.9 -8.4 24 33 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.938 111.0 49.1 -58.0 -47.8 -122.3 80.2 -6.3 25 34 A A H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.924 111.5 49.2 -61.0 -45.4 -123.8 81.6 -3.1 26 35 A R H X S+ 0 0 135 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.950 113.4 47.8 -53.4 -51.4 -127.2 81.9 -4.8 27 36 A R H X S+ 0 0 92 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.889 109.4 51.9 -59.0 -45.5 -126.8 78.3 -5.9 28 37 A K H X>S+ 0 0 18 -4,-3.0 5,-1.7 2,-0.2 4,-1.4 0.939 110.2 47.9 -60.2 -51.7 -125.7 77.0 -2.5 29 38 A R H ><5S+ 0 0 80 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.941 112.8 51.1 -53.5 -45.7 -128.8 78.6 -0.8 30 39 A E H 3<5S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.854 112.5 45.0 -59.6 -37.5 -130.9 77.1 -3.6 31 40 A L H 3<5S- 0 0 75 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.638 106.1-129.9 -82.6 -14.0 -129.4 73.7 -3.0 32 41 A G T <<5 + 0 0 56 -4,-1.4 2,-0.3 -3,-0.7 -3,-0.2 0.760 56.9 148.1 69.8 26.7 -129.7 74.1 0.8 33 42 A L < - 0 0 48 -5,-1.7 2,-0.3 -6,-0.1 -1,-0.2 -0.656 35.2-154.0 -97.0 148.2 -126.1 73.1 1.3 34 43 A T - 0 0 49 -2,-0.3 87,-2.7 84,-0.1 86,-0.5 -0.869 7.0-147.1-116.6 157.3 -123.6 74.2 3.9 35 44 A V E -b 121 0A 0 -2,-0.3 31,-2.4 84,-0.2 32,-1.5 -0.985 4.9-162.3-130.9 121.9 -119.8 74.4 3.7 36 45 A S E -bc 122 67A 0 85,-3.1 87,-3.3 -2,-0.4 2,-0.5 -0.925 11.7-153.1 -98.2 124.8 -117.2 73.9 6.5 37 46 A A E -bc 123 68A 0 30,-2.9 32,-3.2 -2,-0.5 2,-0.5 -0.880 12.6-159.0 -94.8 125.3 -113.8 75.2 5.7 38 47 A V E -bc 124 69A 0 85,-3.2 87,-2.3 -2,-0.5 32,-0.2 -0.932 9.2-169.1-111.9 125.5 -111.1 73.3 7.6 39 48 A L E - c 0 70A 0 30,-3.2 32,-2.0 -2,-0.5 2,-0.6 -0.891 10.3-155.6-116.9 99.4 -107.6 74.7 8.3 40 49 A P E - c 0 71A 17 0, 0.0 87,-0.7 0, 0.0 2,-0.6 -0.619 26.8-164.4 -68.4 113.3 -105.1 72.1 9.6 41 50 A S E + c 0 72A 0 30,-3.1 32,-2.3 -2,-0.6 2,-0.6 -0.867 25.8 169.0-123.9 110.0 -102.8 74.6 11.3 42 51 A R S S- 0 0 148 -2,-0.6 32,-0.1 30,-0.2 30,-0.1 -0.925 79.9 -29.3-118.3 109.5 -99.3 73.9 12.6 43 52 A N S S+ 0 0 66 -2,-0.6 3,-0.2 1,-0.1 -1,-0.2 0.940 89.1 138.0 50.5 57.8 -97.4 77.0 13.6 44 53 A V >> + 0 0 9 1,-0.1 4,-2.9 -3,-0.1 3,-1.4 -0.152 13.5 130.6-121.2 36.3 -99.2 79.4 11.2 45 54 A A T 34 S+ 0 0 25 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.816 72.4 55.9 -60.1 -33.2 -99.6 82.3 13.6 46 55 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.632 122.9 22.5 -75.6 -13.1 -98.2 84.7 10.9 47 56 A T T X> S+ 0 0 9 -3,-1.4 4,-1.7 80,-0.1 3,-0.6 0.729 100.3 73.0-123.5 -32.2 -100.8 83.6 8.3 48 57 A V H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.779 94.9 61.3 -62.2 -27.9 -104.1 82.0 9.6 49 58 A G H 3> S+ 0 0 6 -4,-0.4 4,-2.2 -5,-0.3 -1,-0.2 0.914 106.0 45.4 -61.8 -44.6 -105.3 85.4 10.8 50 59 A G H <> S+ 0 0 40 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.876 111.4 52.1 -66.7 -39.7 -105.2 86.7 7.3 51 60 A I H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.967 111.0 46.7 -63.6 -48.9 -106.9 83.7 5.8 52 61 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 111.1 53.0 -58.3 -42.8 -109.8 83.9 8.3 53 62 A D H X S+ 0 0 72 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.896 110.6 47.4 -60.1 -40.6 -110.1 87.6 7.7 54 63 A E H X S+ 0 0 66 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.926 109.2 51.7 -70.3 -41.8 -110.4 87.0 3.9 55 64 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 10,-0.2 0.925 111.2 50.6 -59.5 -40.0 -113.0 84.2 4.3 56 65 A H H X S+ 0 0 71 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.922 110.8 46.6 -62.0 -48.2 -115.0 86.7 6.4 57 66 A A H >X S+ 0 0 31 -4,-2.3 4,-1.2 2,-0.2 3,-0.8 0.910 110.7 53.8 -61.3 -40.8 -114.7 89.4 3.8 58 67 A L H >X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 3,-0.8 0.958 104.4 54.3 -55.8 -51.7 -115.7 86.9 1.1 59 68 A N H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.681 100.6 63.6 -56.2 -22.3 -118.8 85.9 3.1 60 69 A E H << S+ 0 0 169 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.938 112.6 32.1 -62.6 -51.7 -119.7 89.7 3.1 61 70 A R H << S+ 0 0 125 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.1 0.830 142.0 7.8 -74.4 -35.2 -120.1 89.8 -0.7 62 71 A A S < S- 0 0 1 -4,-2.5 2,-0.9 -5,-0.2 -1,-0.3 -0.865 73.6-130.7-158.0 108.0 -121.3 86.2 -1.0 63 72 A P + 0 0 87 0, 0.0 -34,-0.2 0, 0.0 -4,-0.1 -0.502 54.3 134.4 -69.7 104.1 -122.2 83.8 1.8 64 73 A L + 0 0 0 -2,-0.9 2,-0.6 1,-0.2 -29,-0.1 0.670 52.2 59.3-123.2 -32.3 -120.3 80.6 1.0 65 74 A I + 0 0 8 -3,-0.2 -1,-0.2 -10,-0.2 -29,-0.2 -0.916 49.1 178.0-113.9 122.5 -118.6 79.3 4.1 66 75 A D S S+ 0 0 89 -31,-2.4 2,-0.4 -2,-0.6 -30,-0.2 0.831 71.0 28.3 -89.4 -34.0 -120.7 78.4 7.1 67 76 A Q E -c 36 0A 3 -32,-1.5 -30,-2.9 2,-0.0 2,-0.7 -0.998 60.5-159.0-135.1 123.8 -118.1 77.2 9.6 68 77 A I E -c 37 0A 14 -2,-0.4 21,-2.6 -32,-0.2 2,-0.6 -0.941 20.8-172.2-105.7 115.1 -114.5 78.2 9.8 69 78 A L E -cd 38 89A 0 -32,-3.2 -30,-3.2 -2,-0.7 2,-0.6 -0.910 10.9-170.6-119.2 111.2 -112.7 75.4 11.6 70 79 A V E -cd 39 90A 0 19,-3.1 21,-2.6 -2,-0.6 2,-0.7 -0.899 6.4-161.5-100.1 121.5 -109.1 75.7 12.7 71 80 A V E -cd 40 91A 0 -32,-2.0 -30,-3.1 -2,-0.6 2,-0.7 -0.910 14.3-145.1-103.9 110.8 -107.5 72.5 14.0 72 81 A D E -cd 41 92A 18 19,-3.1 21,-2.7 -2,-0.7 2,-1.8 -0.650 3.8-152.7 -78.8 110.0 -104.5 73.5 16.0 73 82 A A - 0 0 5 -32,-2.3 -1,-0.1 -2,-0.7 19,-0.1 -0.504 63.6 -70.1 -87.0 71.3 -101.9 70.8 15.4 74 83 A D S S- 0 0 88 -2,-1.8 -1,-0.2 1,-0.1 2,-0.1 0.873 75.6-173.7 40.0 55.6 -100.0 71.3 18.7 75 84 A S - 0 0 18 -34,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.408 25.6-163.2 -70.8 149.3 -98.6 74.7 17.7 76 85 A E S S+ 0 0 187 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.419 76.9 74.0-106.8 3.0 -96.0 76.4 19.9 77 86 A D S S- 0 0 60 1,-0.0 -1,-0.1 0, 0.0 -35,-0.0 0.441 112.5 -92.8-101.7 -1.9 -96.4 79.9 18.1 78 87 A G S > S+ 0 0 43 -3,-0.1 4,-2.7 3,-0.0 3,-0.2 0.446 77.7 139.4 102.5 2.3 -99.8 81.3 19.3 79 88 A T H > + 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.861 68.9 52.7 -40.6 -51.6 -101.7 79.9 16.3 80 89 A A H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 112.9 43.8 -58.7 -47.1 -104.7 78.9 18.5 81 90 A G H > S+ 0 0 46 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.852 112.9 50.9 -66.7 -39.8 -105.1 82.3 20.0 82 91 A V H X S+ 0 0 39 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.972 112.7 46.5 -60.7 -54.0 -104.6 84.2 16.7 83 92 A A H ><>S+ 0 0 0 -4,-2.9 5,-1.9 -5,-0.2 3,-0.6 0.936 115.4 47.2 -51.5 -52.5 -107.3 82.0 15.0 84 93 A A H ><5S+ 0 0 55 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.896 108.6 52.9 -54.5 -48.4 -109.6 82.5 18.0 85 94 A S H 3<5S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.723 106.8 54.3 -67.5 -20.2 -109.1 86.3 18.1 86 95 A H T <<5S- 0 0 62 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.383 124.1-102.4 -89.7 -1.5 -110.0 86.5 14.4 87 96 A G T < 5S+ 0 0 54 -3,-1.6 -3,-0.2 1,-0.3 -19,-0.2 0.507 73.8 135.9 99.3 7.4 -113.3 84.7 15.0 88 97 A A < - 0 0 11 -5,-1.9 2,-0.5 -21,-0.1 -1,-0.3 -0.509 62.6-107.5 -80.9 153.6 -112.7 81.1 13.8 89 98 A E E -d 69 0A 60 -21,-2.6 -19,-3.1 -2,-0.2 2,-0.4 -0.739 44.8-161.0 -75.2 123.4 -113.8 78.0 15.7 90 99 A V E +d 70 0A 40 -2,-0.5 2,-0.4 -21,-0.2 -19,-0.2 -0.916 17.9 174.2-116.3 137.5 -110.5 76.6 17.1 91 100 A Y E -d 71 0A 61 -21,-2.6 -19,-3.1 -2,-0.4 2,-0.3 -0.992 28.6-129.7-134.4 138.6 -109.8 73.1 18.4 92 101 A S E >> -d 72 0A 39 -2,-0.4 3,-0.8 -21,-0.2 4,-0.7 -0.674 22.8-130.2 -80.7 147.5 -106.5 71.6 19.5 93 102 A E G >4 S+ 0 0 0 -21,-2.7 3,-0.8 -2,-0.3 -1,-0.1 0.850 104.8 65.7 -71.6 -25.4 -106.0 68.3 17.8 94 103 A N G 34 S+ 0 0 55 -22,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.817 100.7 52.4 -54.0 -34.5 -105.2 66.6 21.1 95 104 A E G X4 S+ 0 0 113 -3,-0.8 3,-0.5 2,-0.1 2,-0.3 0.677 94.7 78.6 -83.9 -17.0 -108.8 67.3 22.2 96 105 A L T << S- 0 0 9 -3,-0.8 4,-0.2 -4,-0.7 16,-0.1 -0.706 111.5 -1.0 -91.0 146.2 -110.6 65.7 19.2 97 106 A M T > S- 0 0 29 -2,-0.3 3,-2.4 15,-0.2 -1,-0.3 0.910 83.6-177.6 43.2 49.7 -111.0 61.9 18.9 98 107 A S G X + 0 0 89 -3,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.707 67.6 71.7 -61.3 -26.9 -109.1 61.9 22.2 99 108 A G G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.491 87.0 71.2 -62.0 -2.6 -109.0 58.2 22.5 100 109 A Y G < S- 0 0 73 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.479 100.5-126.6 -95.5 0.3 -106.5 58.3 19.6 101 110 A G < - 0 0 35 -3,-1.6 -1,-0.3 -7,-0.1 3,-0.1 -0.515 53.6 -19.9 85.8-161.5 -103.5 59.8 21.5 102 111 A D S S- 0 0 115 1,-0.2 -8,-0.0 -2,-0.2 -7,-0.0 -0.354 86.2 -66.3 -87.6 163.0 -101.6 62.9 20.5 103 112 A A - 0 0 32 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 -0.155 38.4-171.0 -45.0 123.2 -101.4 64.6 17.0 104 113 A H - 0 0 60 1,-0.3 4,-0.3 -3,-0.1 3,-0.2 -0.261 53.3 -78.3-113.1 44.8 -99.6 62.5 14.4 105 114 A G S > S- 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 -0.335 71.1 -34.7 102.7-177.3 -99.4 65.1 11.8 106 115 A K H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 130.9 50.3 -54.7 -48.4 -101.4 66.9 9.1 107 116 A G H > S+ 0 0 0 103,-1.6 4,-2.9 104,-0.7 -1,-0.2 0.907 108.6 51.1 -57.7 -44.2 -103.5 63.9 8.2 108 117 A D H > S+ 0 0 0 102,-1.5 4,-3.1 -4,-0.3 5,-0.3 0.937 112.4 48.3 -62.2 -42.5 -104.4 63.2 11.8 109 118 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 101,-0.3 -2,-0.2 0.961 112.8 46.7 -58.8 -53.6 -105.5 66.8 12.1 110 119 A M H X S+ 0 0 1 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.873 115.4 47.1 -57.2 -42.4 -107.6 66.7 8.9 111 120 A W H >< S+ 0 0 0 -4,-2.9 3,-1.5 -5,-0.2 4,-0.4 0.969 111.6 47.8 -64.8 -53.5 -109.1 63.4 9.9 112 121 A R H >< S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.3 4,-0.4 0.864 99.6 70.5 -59.2 -34.2 -110.0 64.5 13.5 113 122 A A H >X S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 4,-1.2 0.825 83.9 70.3 -49.0 -37.2 -111.5 67.7 12.1 114 123 A L T << S+ 0 0 2 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.796 86.3 66.9 -55.7 -28.0 -114.4 65.6 10.6 115 124 A S T <4 S+ 0 0 33 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.783 113.1 29.8 -69.3 -19.4 -115.7 65.0 14.1 116 125 A V T <4 S+ 0 0 32 -3,-1.9 2,-0.4 -4,-0.4 -1,-0.2 0.465 90.5 110.5-118.8 -0.2 -116.6 68.7 14.5 117 126 A T < - 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