==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 16-AUG-06 2DWP . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.H.LEE . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 1 0 1 3 0 1 2 0 0 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 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 . 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A E 0 0 188 0, 0.0 13,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 95.0 -25.4 99.0 8.2 2 4 A L E -A 13 0A 94 11,-0.2 2,-0.4 9,-0.0 9,-0.1 -0.826 360.0-147.1-126.7 165.7 -26.3 95.3 7.7 3 5 A T E -A 12 0A 70 9,-2.4 9,-2.5 -2,-0.3 2,-0.6 -0.995 21.3-122.7-134.6 139.1 -29.1 93.2 6.3 4 6 A Q E -A 11 0A 81 -2,-0.4 7,-0.3 7,-0.2 5,-0.1 -0.729 27.3-120.2 -89.1 122.8 -30.4 89.9 7.5 5 7 A S > - 0 0 38 5,-3.1 4,-0.6 -2,-0.6 -1,-0.1 -0.239 18.1-134.8 -55.4 142.4 -30.4 87.0 5.0 6 8 A R T 4 S+ 0 0 139 2,-0.1 336,-0.2 3,-0.1 -1,-0.1 0.857 94.8 34.8 -72.1 -37.2 -33.9 85.7 4.4 7 9 A V T 4 S+ 0 0 26 1,-0.1 335,-2.5 334,-0.1 -1,-0.1 0.978 129.8 26.7 -81.7 -65.5 -33.2 81.9 4.6 8 10 A Q T 4 S- 0 0 61 333,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.457 94.9-132.5 -78.5 -3.0 -30.4 81.5 7.2 9 11 A K < + 0 0 20 -4,-0.6 2,-0.4 1,-0.2 -3,-0.1 0.842 53.2 151.7 53.9 36.9 -31.4 84.6 9.1 10 12 A I - 0 0 64 -7,-0.0 -5,-3.1 2,-0.0 2,-0.5 -0.843 46.9-124.6-103.4 135.2 -27.7 85.7 9.1 11 13 A W E +A 4 0A 158 -2,-0.4 -7,-0.2 -7,-0.3 -9,-0.0 -0.648 34.5 177.7 -80.0 122.6 -26.6 89.4 9.3 12 14 A V E -A 3 0A 64 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.2 -0.956 37.2 -99.6-126.5 144.7 -24.3 90.4 6.4 13 15 A P E -A 2 0A 100 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 -0.429 46.2-113.3 -63.3 124.2 -22.8 93.7 5.5 14 16 A V - 0 0 40 -13,-1.3 0, 0.0 -2,-0.2 0, 0.0 -0.321 25.9-164.9 -61.2 138.9 -24.8 95.3 2.7 15 17 A D + 0 0 137 2,-0.1 -1,-0.1 -3,-0.1 -13,-0.0 0.935 20.7 162.0 -86.9 -63.3 -22.9 95.6 -0.5 16 18 A H 0 0 169 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.892 360.0 360.0 30.2 87.2 -25.0 98.1 -2.5 17 19 A R 0 0 243 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.926 360.0 360.0-154.2 360.0 -22.5 99.2 -5.1 18 ! 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 19 32 A N 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.4 -8.0 77.7 5.7 20 33 A S - 0 0 39 1,-0.1 112,-0.1 112,-0.1 111,-0.1 0.005 360.0-111.4 -39.8 130.9 -5.6 75.6 3.6 21 34 A P - 0 0 21 0, 0.0 112,-2.2 0, 0.0 2,-0.4 -0.230 31.9-132.5 -64.7 154.2 -7.1 72.3 2.4 22 35 A T E -bc 107 133B 0 84,-2.8 86,-2.5 110,-0.2 2,-0.6 -0.900 10.5-153.4-121.2 143.4 -5.8 69.0 3.9 23 36 A V E -bc 108 134B 0 110,-2.3 112,-1.7 -2,-0.4 2,-0.5 -0.945 15.7-154.5-110.9 111.0 -4.6 65.7 2.4 24 37 A I E -bc 109 135B 0 84,-2.5 86,-3.6 -2,-0.6 2,-0.6 -0.763 10.0-153.8 -87.0 127.4 -5.1 62.8 4.9 25 38 A V E -bc 110 136B 0 110,-2.9 112,-2.6 -2,-0.5 2,-0.3 -0.910 1.5-150.0-108.4 115.2 -2.7 60.1 4.1 26 39 A M E - c 0 137B 0 84,-2.1 2,-0.4 -2,-0.6 86,-0.2 -0.608 17.7-171.3 -80.9 142.0 -3.6 56.5 5.1 27 40 A V E + c 0 138B 0 110,-2.3 112,-2.2 -2,-0.3 87,-0.2 -0.999 27.5 80.1-139.0 134.5 -0.7 54.3 6.0 28 41 A G - 0 0 0 85,-2.4 87,-0.1 -2,-0.4 4,-0.1 -0.675 69.5 -70.4 148.6 157.3 -0.5 50.6 6.7 29 42 A L - 0 0 8 110,-0.3 3,-0.3 -2,-0.2 5,-0.3 -0.209 68.8 -78.7 -65.9 162.1 -0.4 47.0 5.4 30 43 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 121,-0.1 -0.188 114.5 34.2 -62.5 159.7 -3.6 45.6 3.8 31 44 A A S S+ 0 0 7 119,-0.1 119,-0.2 -3,-0.1 120,-0.2 0.866 84.7 114.4 62.2 39.5 -6.5 44.3 6.1 32 45 A R S S- 0 0 19 -3,-0.3 172,-0.1 -4,-0.1 -1,-0.1 0.210 91.7-101.9-120.6 10.8 -5.7 47.0 8.7 33 46 A G S > S+ 0 0 24 3,-0.1 4,-2.9 -5,-0.0 5,-0.3 0.647 74.8 139.6 79.3 15.9 -8.9 49.1 8.4 34 47 A K H > S+ 0 0 20 -5,-0.3 4,-2.3 1,-0.2 5,-0.1 0.927 78.9 38.2 -58.8 -45.6 -7.4 51.8 6.2 35 48 A T H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.882 113.4 56.3 -73.1 -37.1 -10.6 52.0 4.1 36 49 A Y H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.979 112.8 41.9 -54.5 -57.7 -12.9 51.5 7.0 37 50 A I H X S+ 0 0 17 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.908 112.3 55.3 -56.1 -46.2 -11.3 54.5 8.8 38 51 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.943 111.5 42.7 -55.0 -52.1 -11.3 56.5 5.6 39 52 A K H X S+ 0 0 91 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.933 117.0 45.5 -61.4 -49.2 -15.0 56.1 4.9 40 53 A K H X S+ 0 0 17 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.907 112.8 51.1 -60.9 -43.7 -16.1 56.6 8.5 41 54 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.951 114.2 44.7 -56.5 -52.1 -13.8 59.6 8.9 42 55 A T H X S+ 0 0 13 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.884 109.2 55.2 -60.8 -44.0 -15.3 61.1 5.7 43 56 A R H X S+ 0 0 19 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.928 113.0 43.8 -55.8 -47.3 -18.9 60.3 6.7 44 57 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.2 0.975 113.2 48.4 -63.0 -59.2 -18.4 62.2 9.9 45 58 A L H <>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.3 -2,-0.2 0.873 112.2 48.5 -51.3 -45.4 -16.6 65.3 8.5 46 59 A N H ><5S+ 0 0 65 -4,-2.6 3,-1.2 3,-0.2 -1,-0.3 0.890 109.7 55.2 -64.7 -35.7 -19.1 65.7 5.7 47 60 A W H 3<5S+ 0 0 18 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.936 106.9 47.2 -62.8 -48.4 -21.8 65.5 8.3 48 61 A I T 3<5S- 0 0 18 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.324 131.0 -93.6 -76.6 10.1 -20.4 68.2 10.5 49 62 A G T < 5S+ 0 0 55 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.460 86.1 127.1 97.3 -0.5 -20.0 70.4 7.4 50 63 A V < - 0 0 22 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.812 61.0-129.3 -95.2 105.0 -16.4 69.7 6.3 51 64 A P + 0 0 48 0, 0.0 55,-2.4 0, 0.0 56,-2.0 -0.334 40.8 169.7 -56.1 108.8 -16.5 68.7 2.6 52 65 A T E -d 107 0B 5 -2,-0.4 2,-0.3 -10,-0.2 56,-0.2 -0.906 16.1-173.2-124.6 151.3 -14.5 65.5 2.5 53 66 A K E -d 108 0B 88 54,-1.4 56,-2.4 -2,-0.3 2,-0.4 -0.998 19.6-130.4-144.8 142.0 -13.9 62.9 -0.2 54 67 A V E -d 109 0B 33 -2,-0.3 2,-0.6 54,-0.2 56,-0.2 -0.765 10.8-163.4 -95.4 137.7 -12.1 59.5 -0.3 55 68 A F E -d 110 0B 4 54,-3.1 56,-1.6 -2,-0.4 2,-0.7 -0.839 9.6-168.6-121.5 89.6 -9.6 58.7 -3.0 56 69 A N E >> -d 111 0B 29 -2,-0.6 4,-1.2 54,-0.2 3,-0.8 -0.716 11.3-160.4 -81.0 110.0 -9.2 54.9 -2.8 57 70 A V H 3> S+ 0 0 14 54,-2.1 4,-1.7 -2,-0.7 -1,-0.2 0.746 88.7 69.0 -64.9 -19.2 -6.2 54.1 -5.0 58 71 A G H 3> S+ 0 0 18 53,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.920 97.7 48.5 -64.3 -43.2 -7.6 50.5 -5.1 59 72 A E H <> S+ 0 0 95 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.856 106.4 55.8 -66.4 -35.5 -10.6 51.6 -7.2 60 73 A Y H X S+ 0 0 50 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.911 111.9 45.9 -61.2 -38.7 -8.3 53.5 -9.7 61 74 A R H X S+ 0 0 22 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.942 109.8 51.0 -67.6 -52.0 -6.5 50.2 -10.1 62 75 A R H < S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.709 111.7 52.8 -59.9 -18.6 -9.7 48.1 -10.4 63 76 A E H < S+ 0 0 153 -4,-1.3 3,-0.5 -5,-0.2 -2,-0.2 0.921 112.8 39.2 -81.4 -49.0 -10.6 50.7 -13.1 64 77 A A H < S+ 0 0 47 -4,-2.0 2,-0.8 1,-0.2 -2,-0.2 0.873 114.8 51.2 -70.5 -42.4 -7.5 50.5 -15.2 65 78 A V S < S- 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.411 87.0-148.4 -98.4 60.1 -6.9 46.7 -15.0 66 79 A K + 0 0 175 -2,-0.8 2,-0.4 -3,-0.5 -1,-0.2 0.271 67.8 15.5 15.4 -94.1 -10.4 45.5 -16.1 67 80 A Q S S- 0 0 95 1,-0.1 93,-0.1 -4,-0.0 -4,-0.0 -0.841 89.6 -93.0-111.5 142.8 -10.8 42.1 -14.1 68 81 A Y + 0 0 33 -2,-0.4 -2,-0.1 91,-0.2 -1,-0.1 -0.190 33.7 178.8 -65.3 134.8 -8.9 40.7 -11.2 69 82 A S - 0 0 71 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.940 40.5 -87.4 -84.6 -91.3 -5.8 38.4 -11.4 70 83 A S > - 0 0 23 102,-0.0 3,-1.9 103,-0.0 4,-0.3 -0.930 55.3 -59.7-174.4-174.6 -4.1 37.3 -8.2 71 84 A Y G > S+ 0 0 74 -2,-0.3 3,-1.6 1,-0.3 108,-0.0 0.678 114.9 83.1 -60.1 -18.7 -1.4 38.4 -5.7 72 85 A N G > S+ 0 0 62 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.786 80.6 66.1 -57.0 -26.0 1.1 38.3 -8.6 73 86 A F G < S+ 0 0 19 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.849 101.0 48.1 -64.7 -33.2 -0.1 41.7 -9.5 74 87 A F G < S+ 0 0 10 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.062 80.6 127.3 -97.3 24.5 1.3 43.1 -6.3 75 88 A R X - 0 0 95 -3,-1.3 3,-2.3 1,-0.1 7,-0.2 -0.657 61.7-135.2 -82.5 134.2 4.7 41.5 -6.5 76 89 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.803 107.7 54.8 -57.9 -27.7 7.6 44.0 -6.1 77 90 A D T 3 S+ 0 0 99 1,-0.1 2,-2.0 4,-0.0 3,-0.1 0.479 78.4 105.4 -83.6 -2.6 9.4 42.3 -9.1 78 91 A N <> - 0 0 48 -3,-2.3 4,-2.8 1,-0.2 5,-0.3 -0.540 51.1-177.5 -80.6 78.7 6.2 42.9 -11.2 79 92 A E H > S+ 0 0 175 -2,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.811 77.4 45.1 -45.9 -43.8 7.8 45.8 -13.2 80 93 A E H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 112.2 49.1 -72.2 -45.6 4.6 46.4 -15.2 81 94 A A H > S+ 0 0 3 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.931 108.9 54.4 -59.6 -44.8 2.1 46.3 -12.3 82 95 A M H X S+ 0 0 81 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.899 108.2 50.8 -55.0 -40.0 4.4 48.6 -10.3 83 96 A K H X S+ 0 0 128 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.935 113.9 43.2 -63.3 -46.3 4.1 51.0 -13.3 84 97 A V H X S+ 0 0 32 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.894 112.5 52.6 -66.2 -42.7 0.3 50.8 -13.4 85 98 A R H X S+ 0 0 43 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.888 110.2 48.4 -61.7 -40.1 0.1 51.1 -9.6 86 99 A K H X S+ 0 0 116 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.867 109.6 52.0 -68.2 -37.1 2.2 54.2 -9.6 87 100 A Q H X S+ 0 0 115 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.794 108.8 52.6 -69.6 -25.8 0.1 55.7 -12.4 88 101 A C H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.925 109.8 46.7 -72.6 -46.7 -3.0 54.9 -10.3 89 102 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.883 115.2 47.1 -61.6 -40.8 -1.6 56.8 -7.3 90 103 A L H X S+ 0 0 61 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.811 110.6 51.7 -72.7 -30.8 -0.6 59.7 -9.5 91 104 A A H X S+ 0 0 25 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.886 109.9 50.2 -72.1 -37.4 -4.0 59.8 -11.2 92 105 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.875 108.9 50.2 -66.8 -40.1 -5.7 59.8 -7.8 93 106 A L H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.811 107.3 57.3 -67.7 -28.0 -3.5 62.7 -6.6 94 107 A R H X S+ 0 0 160 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.970 108.4 44.2 -64.0 -52.6 -4.5 64.4 -9.9 95 108 A D H X S+ 0 0 71 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.759 109.8 58.0 -63.1 -25.5 -8.2 64.1 -8.9 96 109 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.4 0.921 103.6 51.4 -69.5 -44.9 -7.2 65.2 -5.4 97 110 A K H X>S+ 0 0 84 -4,-2.2 4,-1.7 1,-0.3 5,-0.6 0.870 109.5 50.1 -59.7 -38.3 -5.8 68.5 -6.8 98 111 A S H X>S+ 0 0 33 -4,-1.6 5,-0.8 3,-0.2 4,-0.6 0.795 114.0 46.5 -71.9 -26.6 -9.0 69.1 -8.7 99 112 A Y H X5S+ 0 0 25 -4,-1.1 6,-2.5 -3,-0.3 4,-0.8 0.963 117.7 36.7 -78.3 -58.1 -11.0 68.5 -5.5 100 113 A L H <5S+ 0 0 13 -4,-2.7 -3,-0.2 4,-0.2 -2,-0.2 0.785 132.5 27.1 -67.3 -30.9 -9.1 70.6 -3.0 101 114 A A H <5S+ 0 0 65 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.2 0.754 135.1 21.7-105.3 -29.5 -8.3 73.4 -5.4 102 115 A K H < S- 0 0 25 68,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.903 75.1-133.6-121.4 149.3 7.2 53.2 2.0 117 130 A R H > S+ 0 0 85 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.901 108.3 59.3 -63.0 -38.3 9.1 56.4 2.9 118 131 A E H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 106.5 44.5 -53.9 -56.0 9.6 56.9 -0.9 119 132 A R H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.922 115.1 49.6 -56.6 -45.9 5.8 56.9 -1.6 120 133 A R H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 3,-0.3 0.943 107.4 52.5 -60.5 -48.5 5.2 59.2 1.3 121 134 A H H X S+ 0 0 122 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.880 106.8 55.7 -55.1 -37.1 7.9 61.7 0.4 122 135 A M H X S+ 0 0 51 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.917 108.9 45.5 -61.5 -43.9 6.3 61.8 -3.0 123 136 A I H X S+ 0 0 1 -4,-1.8 4,-2.7 -3,-0.3 5,-0.2 0.913 110.1 54.4 -66.0 -43.4 2.9 62.8 -1.5 124 137 A L H X S+ 0 0 40 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.951 109.0 49.0 -53.6 -50.1 4.6 65.3 0.8 125 138 A H H X S+ 0 0 119 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.927 109.3 52.6 -54.1 -48.7 6.1 66.9 -2.3 126 139 A F H X S+ 0 0 20 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.917 113.6 42.7 -52.8 -49.7 2.7 66.9 -4.0 127 140 A A H X>S+ 0 0 2 -4,-2.7 5,-2.1 1,-0.2 4,-1.1 0.917 109.8 57.6 -63.9 -46.4 1.2 68.7 -1.0 128 141 A K H <5S+ 0 0 169 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.825 110.4 43.6 -55.0 -36.7 4.1 71.1 -0.7 129 142 A E H <5S+ 0 0 120 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.701 116.2 44.8 -86.3 -21.0 3.7 72.3 -4.3 130 143 A N H <5S- 0 0 31 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.447 112.9-113.8-100.1 1.9 -0.1 72.7 -4.2 131 144 A D T <5 + 0 0 117 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.944 66.8 143.2 66.0 52.9 -0.1 74.4 -0.8 132 145 A F < - 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0 0 44 -20,-2.2 3,-1.2 -2,-0.4 -18,-0.3 -0.988 18.0-158.0-124.0 124.7 -30.1 65.4 26.7 305 318 A K G > S+ 0 0 143 -2,-0.4 3,-1.5 1,-0.3 -19,-0.2 0.785 95.2 67.4 -69.5 -24.0 -31.2 68.9 25.9 306 319 A A G 3 S+ 0 0 21 1,-0.3 -1,-0.3 -21,-0.1 -21,-0.1 0.691 93.3 59.5 -68.0 -17.7 -29.4 68.4 22.6 307 320 A L G < S+ 0 0 0 -3,-1.2 67,-0.3 -23,-0.2 -1,-0.3 0.427 76.4 120.3 -91.2 -0.1 -32.0 65.9 21.6 308 321 A N S < S- 0 0 26 -3,-1.5 3,-0.1 -4,-0.1 66,-0.1 -0.359 77.1 -92.4 -63.3 146.2 -34.9 68.3 21.9 309 322 A E - 0 0 37 1,-0.1 -1,-0.1 64,-0.1 3,-0.0 -0.084 58.7 -73.7 -55.8 159.0 -36.8 68.8 18.6 310 323 A I - 0 0 16 1,-0.1 2,-0.8 -3,-0.1 -1,-0.1 -0.168 53.8-109.4 -52.8 146.1 -35.7 71.6 16.3 311 324 A D - 0 0 71 1,-0.1 36,-2.7 37,-0.1 32,-0.3 -0.748 24.9-163.9 -87.1 115.3 -36.8 75.0 17.6 312 325 A A > - 0 0 3 -2,-0.8 3,-1.7 1,-0.2 34,-0.2 0.435 22.9-156.4 -77.2 1.0 -39.5 76.4 15.4 313 326 A G G > S- 0 0 12 1,-0.3 3,-1.6 32,-0.3 -1,-0.2 -0.357 70.6 -0.6 63.4-132.0 -39.0 79.9 16.7 314 327 A V G 3 S+ 0 0 59 30,-1.7 -1,-0.3 1,-0.3 31,-0.1 0.497 131.8 64.1 -70.8 -1.5 -42.1 82.2 16.4 315 328 A C G X S+ 0 0 0 -3,-1.7 3,-2.0 29,-0.2 -64,-0.3 0.433 71.1 129.3-100.4 -3.1 -43.9 79.3 14.8 316 329 A E T < S+ 0 0 50 -3,-1.6 -64,-0.2 1,-0.3 3,-0.1 -0.136 75.0 16.8 -50.7 148.3 -43.9 77.0 17.8 317 330 A E T 3 S+ 0 0 96 -66,-1.9 -1,-0.3 1,-0.2 -65,-0.1 0.314 103.1 120.7 71.0 -11.8 -47.2 75.5 18.8 318 331 A L < - 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