==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-AUG-06 2I22 . COMPND 2 MOLECULE: PHOSPHOHEPTOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.BLAKELY,K.ZHANG,G.DELEON,G.WRIGHT,M.JUNOP . 713 8 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 80.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 12.6 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 . 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 . 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 . 32 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 353 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 0 0 0 0 0 4 0 0 3 1 0 0 0 3 1 4 4 0 3 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 10 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 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 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 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 0 172 0, 0.0 568,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.8 -15.2 14.6 1.2 2 2 A Y > + 0 0 42 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.264 360.0 119.0-141.2 15.5 -11.4 15.0 0.9 3 3 A Q H > + 0 0 36 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.706 67.6 53.4 -57.0 -19.4 -12.1 13.0 -2.2 4 4 A D H > S+ 0 0 112 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.951 105.5 49.3 -84.7 -51.5 -10.7 15.8 -4.3 5 5 A L H > S+ 0 0 36 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.927 114.3 47.8 -46.4 -56.9 -7.4 16.2 -2.6 6 6 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.968 113.4 43.6 -51.8 -63.8 -6.8 12.5 -2.9 7 7 A R H X S+ 0 0 78 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.853 114.0 57.6 -53.4 -37.9 -7.7 12.0 -6.5 8 8 A N H X S+ 0 0 86 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.956 105.9 43.8 -50.3 -68.8 -5.7 15.2 -7.1 9 9 A E H X S+ 0 0 25 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.912 113.3 51.4 -40.8 -54.3 -2.5 14.0 -5.6 10 10 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.878 108.8 54.1 -59.7 -37.7 -2.7 10.7 -7.4 11 11 A N H X S+ 0 0 72 -4,-2.1 4,-3.2 -5,-0.3 -2,-0.2 0.934 105.5 51.0 -53.9 -54.9 -3.3 12.7 -10.6 12 12 A E H X S+ 0 0 65 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.878 109.1 54.6 -43.9 -46.7 -0.1 14.7 -10.0 13 13 A A H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.970 108.2 44.9 -52.8 -63.3 1.5 11.3 -9.6 14 14 A A H X S+ 0 0 30 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.889 114.0 53.3 -54.1 -38.3 0.2 10.0 -13.1 15 15 A E H X S+ 0 0 111 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.987 109.8 44.4 -53.4 -65.6 1.2 13.3 -14.6 16 16 A T H X S+ 0 0 6 -4,-3.5 4,-3.5 1,-0.3 -2,-0.2 0.855 115.0 49.0 -54.5 -38.9 4.8 13.2 -13.3 17 17 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.3 0.922 113.7 47.2 -64.7 -48.4 5.1 9.6 -14.3 18 18 A A H X S+ 0 0 53 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.974 114.4 45.8 -53.4 -62.2 3.7 10.5 -17.8 19 19 A N H X S+ 0 0 68 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.916 114.9 49.9 -43.8 -48.1 6.1 13.5 -18.1 20 20 A F H < S+ 0 0 0 -4,-3.5 7,-0.3 -5,-0.3 -2,-0.2 0.914 112.1 46.5 -60.4 -42.9 8.9 11.2 -16.8 21 21 A L H < S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 105.0 58.2 -73.7 -32.4 8.2 8.4 -19.3 22 22 A K H < S+ 0 0 139 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.2 0.914 85.4 85.3 -66.9 -48.4 7.8 10.6 -22.5 23 23 A D X - 0 0 73 -4,-1.2 4,-1.5 -5,-0.2 3,-0.5 -0.395 67.9-158.0 -61.1 111.9 11.3 12.1 -22.3 24 24 A D H > S+ 0 0 79 -2,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.830 88.1 65.4 -61.0 -27.6 13.7 9.5 -24.0 25 25 A A H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 101.4 50.8 -65.5 -44.0 16.7 10.8 -22.2 26 26 A N H > S+ 0 0 15 -3,-0.5 4,-1.6 1,-0.2 5,-0.2 0.990 108.0 49.7 -48.6 -67.6 15.2 9.6 -19.0 27 27 A I H X S+ 0 0 1 -4,-1.5 4,-1.4 -7,-0.3 -2,-0.2 0.837 112.6 50.1 -49.4 -28.7 14.5 6.2 -20.3 28 28 A H H X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.990 103.8 55.8 -74.0 -50.4 18.2 6.1 -21.5 29 29 A A H X S+ 0 0 11 -4,-2.8 4,-3.0 1,-0.3 5,-0.3 0.903 104.8 55.0 -38.4 -58.8 19.8 7.1 -18.2 30 30 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.912 110.5 46.9 -43.3 -52.7 18.0 4.3 -16.5 31 31 A Q H X S+ 0 0 29 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.927 112.5 45.2 -62.7 -47.2 19.6 1.9 -19.0 32 32 A R H X S+ 0 0 150 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.951 113.3 52.1 -63.8 -50.5 23.2 3.1 -18.9 33 33 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.919 108.8 49.1 -38.9 -63.7 23.0 3.2 -15.1 34 34 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.876 115.2 47.9 -44.5 -42.3 21.8 -0.4 -14.8 35 35 A V H X S+ 0 0 39 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.946 111.3 47.7 -68.2 -45.1 24.6 -1.2 -17.2 36 36 A L H X S+ 0 0 29 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.830 111.1 49.6 -68.9 -36.6 27.3 0.7 -15.3 37 37 A L H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.6 0.995 113.6 49.3 -63.8 -55.6 26.4 -0.8 -11.9 38 38 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 -2,-0.2 0.800 108.1 49.5 -46.2 -50.9 26.5 -4.2 -13.4 39 39 A D H 3X S+ 0 0 83 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.948 108.0 57.5 -59.0 -37.3 29.7 -3.9 -15.1 40 40 A S H <<>S+ 0 0 12 -4,-1.8 5,-2.3 -3,-0.6 -2,-0.2 0.876 106.3 47.2 -62.0 -49.0 31.1 -2.6 -11.8 41 41 A F H ><5S+ 0 0 3 -4,-1.7 3,-3.1 3,-0.3 -1,-0.2 0.948 109.2 53.1 -56.4 -56.6 30.1 -5.8 -9.9 42 42 A K H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.0 50.1 -45.3 -39.5 31.5 -8.1 -12.6 43 43 A A T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.264 128.4-108.6 -82.3 13.3 34.8 -6.2 -12.2 44 44 A G T < 5S+ 0 0 66 -3,-3.1 -3,-0.3 1,-0.2 2,-0.2 0.828 73.0 136.5 60.7 38.9 34.3 -6.8 -8.5 45 45 A G < - 0 0 14 -5,-2.3 2,-0.3 55,-0.2 -1,-0.2 -0.617 42.3-140.0-101.3 164.8 33.4 -3.3 -7.3 46 46 A K - 0 0 6 -2,-0.2 56,-2.2 52,-0.2 2,-0.5 -0.836 11.3-126.4-115.7 171.4 30.6 -2.5 -4.9 47 47 A V E -ab 79 102A 0 31,-2.7 33,-2.5 -2,-0.3 2,-0.6 -0.942 11.8-149.4-117.1 133.6 28.2 0.4 -5.0 48 48 A L E -ab 80 103A 0 54,-2.0 56,-2.6 -2,-0.5 2,-0.4 -0.880 18.6-165.3 -95.1 124.6 27.6 2.7 -2.0 49 49 A S E +ab 81 104A 0 31,-2.3 33,-0.9 -2,-0.6 2,-0.3 -0.869 15.5 154.9-110.1 152.3 24.1 4.0 -1.8 50 50 A C E + b 0 105A 0 54,-2.2 56,-2.3 -2,-0.4 2,-0.3 -0.971 4.5 154.7-164.4 159.6 22.7 7.0 0.3 51 51 A G E - b 0 106A 1 -2,-0.3 2,-0.2 31,-0.3 56,-0.2 -0.921 34.4-103.9-174.6 160.3 20.0 9.5 0.4 52 52 A N S > S- 0 0 60 54,-0.8 3,-2.8 -2,-0.3 4,-0.2 -0.531 71.4 -19.5 -95.3 166.4 18.1 11.7 2.9 53 53 A G T >> S- 0 0 52 1,-0.3 3,-2.9 2,-0.2 4,-0.8 -0.097 135.5 -0.2 49.6-140.8 14.7 11.4 4.4 54 54 A G H 3> S+ 0 0 19 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.607 131.4 67.6 -46.7 -18.9 12.3 9.2 2.5 55 55 A S H <> S+ 0 0 7 -3,-2.8 4,-1.3 2,-0.2 -1,-0.3 0.518 85.2 66.6 -87.1 -7.3 15.2 8.8 0.1 56 56 A H H <> S+ 0 0 26 -3,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.950 98.6 51.0 -82.6 -50.0 17.2 6.9 2.6 57 57 A a H >X S+ 0 0 11 -4,-0.8 3,-2.6 1,-0.2 4,-1.4 0.983 107.1 53.9 -44.4 -67.2 14.9 4.0 2.6 58 58 A D H 3X S+ 0 0 8 -4,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.858 107.7 53.1 -34.6 -45.0 15.1 4.0 -1.3 59 59 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.3 2,-0.2 -1,-0.3 0.848 111.4 44.6 -68.6 -25.4 18.8 3.8 -0.8 60 60 A M H XX S+ 0 0 47 -3,-2.6 4,-3.7 -4,-1.8 3,-0.6 0.986 110.0 51.8 -76.1 -55.7 18.5 0.7 1.6 61 61 A H H 3X S+ 0 0 17 -4,-1.4 4,-2.2 1,-0.3 5,-0.2 0.831 108.2 57.3 -41.9 -37.7 16.0 -1.3 -0.5 62 62 A F H 3X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.5 -1,-0.3 0.951 113.8 34.6 -67.4 -46.7 18.4 -0.7 -3.3 63 63 A A H < + 0 0 85 -4,-0.9 3,-1.7 2,-0.1 -1,-0.2 0.952 65.1 102.6 -75.1 -44.2 26.5 -12.2 -2.2 72 72 A E T 3 S- 0 0 147 1,-0.2 -3,-0.0 -5,-0.2 -4,-0.0 0.066 100.5 -10.2 -39.8 133.1 26.7 -15.9 -3.2 73 73 A N T 3 S+ 0 0 160 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.773 115.2 101.1 34.0 44.8 30.1 -17.0 -4.4 74 74 A R S < S- 0 0 82 -3,-1.7 -1,-0.1 2,-0.1 0, 0.0 -0.961 72.3-120.8-146.4 129.8 31.4 -13.3 -4.5 75 75 A P S S+ 0 0 99 0, 0.0 196,-0.1 0, 0.0 195,-0.0 -0.147 73.6 1.7 -62.7 165.3 33.6 -11.6 -1.7 76 76 A G S S- 0 0 5 194,-0.2 196,-0.2 2,-0.0 -2,-0.1 -0.134 104.3 -55.2 56.4-147.8 32.5 -8.6 0.2 77 77 A Y - 0 0 43 194,-0.2 3,-0.1 1,-0.1 -10,-0.1 -0.983 32.5-147.4-130.6 139.2 29.1 -7.0 -0.3 78 78 A P S S+ 0 0 4 0, 0.0 -31,-2.7 0, 0.0 2,-0.4 0.910 86.9 22.5 -71.3 -41.3 27.9 -5.9 -3.7 79 79 A A E -a 47 0A 6 -16,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.967 62.4-176.9-130.4 136.8 25.9 -3.0 -2.3 80 80 A I E -a 48 0A 19 -33,-2.5 -31,-2.3 -2,-0.4 2,-0.8 -0.995 17.6-145.4-133.5 131.4 26.1 -1.0 1.0 81 81 A A E -a 49 0A 15 -2,-0.4 -31,-0.2 -33,-0.2 3,-0.2 -0.809 31.9-110.8-101.8 99.7 23.7 1.6 2.1 82 82 A I - 0 0 1 -33,-0.9 2,-0.7 -2,-0.8 -31,-0.3 0.118 38.5-118.7 -21.9 101.0 25.4 4.4 4.1 83 83 A S 0 0 86 1,-0.2 -1,-0.2 -33,-0.1 9,-0.0 -0.478 360.0 360.0 -74.3 95.2 24.0 4.0 7.5 84 84 A D 0 0 99 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.064 360.0 360.0-143.9 360.0 22.1 7.1 8.5 85 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 86 98 A N 0 0 108 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -31.7 27.1 16.9 6.8 87 99 A D > + 0 0 53 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.175 360.0 109.3 -98.2 14.4 30.1 14.7 6.3 88 100 A I H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.823 85.5 34.1 -66.8 -36.5 28.2 11.5 7.3 89 101 A F H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.1 -1,-0.2 0.809 119.1 52.8 -87.3 -30.3 28.0 10.0 3.8 90 102 A S H > S+ 0 0 7 -4,-0.2 4,-3.4 2,-0.2 5,-0.2 0.916 103.3 53.2 -72.9 -45.9 31.4 11.3 2.7 91 103 A R H X S+ 0 0 19 -4,-2.8 4,-3.2 2,-0.2 167,-0.2 0.960 111.5 50.5 -49.6 -44.9 33.5 10.0 5.6 92 104 A Y H X>S+ 0 0 14 -4,-0.7 4,-2.1 -5,-0.3 5,-0.5 0.982 106.8 51.9 -58.2 -56.6 32.0 6.6 4.8 93 105 A V H X5S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.5 0.945 113.6 43.8 -41.2 -52.0 32.9 7.1 1.2 94 106 A E H <5S+ 0 0 49 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 111.9 58.5 -61.0 -34.6 36.6 7.8 2.4 95 107 A A H <5S- 0 0 2 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.843 129.7 -0.9 -61.4 -37.6 36.2 4.8 4.8 96 108 A V H <5S+ 0 0 1 -4,-2.1 -2,-0.2 -3,-0.5 -3,-0.2 0.609 89.5 124.6-139.7 -7.2 35.5 2.2 2.3 97 109 A G << - 0 0 2 -4,-2.9 2,-0.3 -5,-0.5 -50,-0.1 -0.224 35.2-170.6 -73.6 151.9 35.4 3.4 -1.2 98 110 A R > - 0 0 75 -52,-0.2 3,-2.6 4,-0.1 -52,-0.2 -0.992 34.2 -86.3-145.4 141.4 37.6 1.9 -3.8 99 111 A E T 3 S+ 0 0 164 -2,-0.3 28,-0.2 1,-0.3 27,-0.2 -0.167 116.7 26.5 -47.3 125.6 38.5 2.6 -7.3 100 112 A G T 3 S+ 0 0 42 26,-1.6 -1,-0.3 1,-0.4 -55,-0.2 0.332 95.8 114.6 96.4 -7.2 36.0 1.1 -9.6 101 113 A D < - 0 0 5 -3,-2.6 27,-1.3 24,-0.2 -1,-0.4 -0.288 59.1-132.0 -85.1 176.4 33.2 1.2 -7.0 102 114 A V E -bc 47 128A 0 -56,-2.2 -54,-2.0 25,-0.2 2,-0.4 -0.765 4.8-141.7-130.4 175.1 30.2 3.4 -7.6 103 115 A L E -bc 48 129A 0 25,-0.9 27,-2.3 -2,-0.2 2,-1.0 -0.937 7.8-166.0-144.1 107.3 28.2 5.9 -5.6 104 116 A L E -bc 49 130A 1 -56,-2.6 -54,-2.2 -2,-0.4 2,-0.4 -0.830 16.1-176.6 -95.7 96.2 24.4 6.1 -5.9 105 117 A G E -bc 50 131A 0 25,-1.9 27,-1.9 -2,-1.0 2,-0.5 -0.811 8.5-158.5 -98.5 135.1 23.4 9.4 -4.3 106 118 A I E +bc 51 132A 0 -56,-2.3 -54,-0.8 -2,-0.4 2,-0.3 -0.932 22.8 154.7-119.1 126.0 19.8 10.2 -4.1 107 119 A S - 0 0 3 25,-2.4 3,-0.4 -2,-0.5 27,-0.4 -0.879 27.2-160.5-146.0 106.8 18.4 13.8 -3.6 108 120 A T S S+ 0 0 25 -2,-0.3 29,-0.2 1,-0.2 42,-0.2 0.849 94.7 45.1 -56.6 -30.9 15.0 14.8 -4.7 109 121 A S S S- 0 0 28 24,-0.1 29,-0.6 28,-0.1 28,-0.2 0.732 98.2-126.9 -89.4 -18.8 16.0 18.4 -4.7 110 122 A G S S+ 0 0 0 -3,-0.4 30,-2.2 27,-0.2 31,-0.2 0.384 93.6 86.7 86.5 -4.1 19.4 18.4 -6.4 111 123 A N + 0 0 79 27,-0.2 2,-0.2 28,-0.2 5,-0.0 0.513 43.9 134.3-114.8 2.2 20.5 20.3 -3.3 112 124 A S > - 0 0 24 1,-0.1 4,-1.5 3,-0.0 5,-0.2 -0.314 41.4-153.5 -61.0 112.7 21.6 17.9 -0.4 113 125 A A H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 93.2 51.4 -54.9 -48.2 24.9 18.9 1.2 114 126 A N H > S+ 0 0 21 1,-0.3 4,-3.2 2,-0.2 3,-0.2 0.934 108.7 49.3 -57.0 -54.3 25.8 15.4 2.3 115 127 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.804 111.3 51.1 -56.4 -28.2 25.2 13.9 -1.1 116 128 A I H X S+ 0 0 55 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.892 110.8 47.3 -77.5 -36.1 27.4 16.6 -2.6 117 129 A K H X S+ 0 0 94 -4,-2.5 4,-2.9 -3,-0.2 5,-0.2 0.965 111.4 51.9 -69.6 -40.7 30.1 15.9 -0.2 118 130 A A H X S+ 0 0 0 -4,-3.2 4,-4.8 1,-0.2 -2,-0.2 0.943 108.8 51.4 -54.0 -51.6 29.8 12.1 -0.9 119 131 A I H X S+ 0 0 7 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.836 109.5 49.5 -54.9 -40.6 30.1 12.8 -4.6 120 132 A A H X S+ 0 0 60 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.956 113.3 44.8 -65.2 -51.2 33.2 14.8 -4.0 121 133 A A H X S+ 0 0 7 -4,-2.9 4,-1.4 1,-0.2 -2,-0.3 0.932 110.3 57.4 -65.3 -36.9 34.7 12.0 -1.9 122 134 A A H >X>S+ 0 0 0 -4,-4.8 5,-2.1 -5,-0.2 3,-1.2 0.972 105.7 48.2 -56.9 -49.2 33.5 9.6 -4.5 123 135 A R H ><5S+ 0 0 102 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.929 108.8 56.1 -52.7 -43.4 35.5 11.4 -7.4 124 136 A E H 3<5S+ 0 0 168 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.818 105.9 49.5 -57.1 -29.0 38.6 11.4 -5.1 125 137 A K H <<5S- 0 0 62 -4,-1.4 -1,-0.3 -3,-1.2 -24,-0.2 0.436 120.0-109.1 -93.8 1.2 38.4 7.6 -4.7 126 138 A G T <<5 + 0 0 40 -3,-1.7 -26,-1.6 -4,-0.5 2,-0.3 0.851 69.8 150.2 74.5 38.6 38.2 7.2 -8.5 127 139 A M < - 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