==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-APR-11 3RO4 . COMPND 2 MOLECULE: KETOHEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.ABAD,A.C.GIBBS . 587 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 56 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 3 1 0 2 0 0 1 3 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 5 4 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 PARALLEL BRIDGES PER LADDER . 0 0 1 4 0 1 2 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 . 2 0 0 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 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 G 0 0 70 0, 0.0 130,-0.2 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 110.7 17.5 17.5 6.3 2 4 A S + 0 0 82 128,-0.9 2,-0.3 127,-0.1 129,-0.2 0.511 360.0 76.4-117.0 -11.3 17.8 15.2 9.3 3 5 A Q E -a 131 0A 33 127,-2.6 129,-1.7 50,-0.1 130,-1.2 -0.704 61.9-137.8-110.7 158.3 14.9 15.9 11.6 4 6 A I E -ab 133 55A 3 50,-1.6 52,-1.9 -2,-0.3 2,-0.5 -0.952 21.1-155.7-110.0 130.8 11.2 15.0 11.7 5 7 A L E -ab 134 56A 1 128,-2.3 130,-3.2 -2,-0.5 2,-0.4 -0.915 5.7-164.8-108.5 132.6 8.8 17.8 12.7 6 8 A C E -ab 135 57A 0 50,-2.3 52,-1.8 -2,-0.5 2,-0.6 -0.964 5.0-160.2-114.4 134.1 5.4 17.2 14.2 7 9 A V E +ab 136 58A 5 128,-3.1 130,-2.5 -2,-0.4 2,-0.2 -0.930 46.8 66.5-118.2 112.1 2.9 20.0 14.4 8 10 A G S S- 0 0 15 50,-1.2 52,-0.2 -2,-0.6 2,-0.1 -0.843 74.0 -11.9-179.5-136.3 -0.1 19.8 16.8 9 11 A L - 0 0 25 -2,-0.2 33,-1.3 50,-0.1 2,-0.3 -0.425 31.0-163.8 -96.1 157.5 -1.0 19.8 20.5 10 12 A V + 0 0 0 50,-0.2 2,-0.3 -2,-0.1 29,-0.3 -0.991 20.8 174.2-131.9 144.1 0.7 19.4 23.8 11 13 A V E -I 38 0B 7 27,-1.4 27,-3.7 -2,-0.3 2,-0.7 -0.999 35.2-122.7-152.2 141.8 -1.2 18.6 27.0 12 14 A L E -Ij 37 94B 1 81,-1.6 83,-1.7 -2,-0.3 2,-0.7 -0.806 31.0-157.5 -83.7 116.1 -0.7 17.8 30.7 13 15 A D E -Ij 36 95B 10 23,-2.9 23,-1.9 -2,-0.7 2,-0.8 -0.889 5.6-161.7 -98.9 115.6 -2.4 14.5 31.3 14 16 A V E -Ij 35 96B 9 81,-2.3 83,-2.6 -2,-0.7 2,-0.4 -0.879 22.6-160.4 -96.9 109.1 -3.4 13.9 34.9 15 17 A I E -Ij 34 97B 2 19,-2.9 19,-1.9 -2,-0.8 2,-0.4 -0.744 21.1-172.9-105.7 133.1 -3.9 10.1 35.1 16 18 A S E -Ij 33 98B 10 81,-2.7 83,-2.5 -2,-0.4 2,-0.6 -0.987 15.8-148.3-116.7 132.8 -5.7 7.9 37.5 17 19 A L E +Ij 32 99B 10 15,-2.8 14,-3.7 -2,-0.4 15,-0.9 -0.886 24.1 174.2-101.6 118.4 -5.4 4.1 37.2 18 20 A V E - j 0 100B 0 81,-2.6 83,-3.7 -2,-0.6 84,-0.2 -0.832 36.5-137.2-120.4 157.7 -8.5 2.2 38.2 19 21 A D S S+ 0 0 82 10,-0.4 2,-0.3 -2,-0.3 81,-0.1 0.517 92.8 19.7 -95.1 -1.8 -9.5 -1.5 38.1 20 22 A K S S- 0 0 139 79,-0.1 -1,-0.3 81,-0.0 79,-0.1 -0.927 88.2-103.9-158.9 142.0 -13.0 -0.7 36.9 21 23 A Y - 0 0 42 -2,-0.3 2,-0.2 -3,-0.1 305,-0.0 -0.424 48.5-109.4 -64.1 135.6 -14.6 2.3 35.3 22 24 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.472 23.7-123.0 -73.8 136.2 -16.8 4.2 37.9 23 25 A K > - 0 0 173 -2,-0.2 3,-2.7 1,-0.1 5,-0.0 -0.580 45.7 -85.2 -74.0 136.4 -20.6 4.2 37.7 24 26 A E T 3 S+ 0 0 66 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.093 115.9 12.8 -43.1 124.8 -22.2 7.6 37.5 25 27 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.3 375,-0.2 383,-0.2 0.418 106.9 112.5 87.7 -0.7 -22.6 9.1 41.0 26 28 A S < - 0 0 44 -3,-2.7 384,-2.5 383,-0.0 2,-0.3 -0.301 61.1-129.7 -94.7-178.2 -20.4 6.5 42.6 27 29 A E E +m 410 0C 112 382,-0.2 2,-0.2 -3,-0.1 384,-0.2 -0.868 24.6 176.8-140.9 105.9 -16.9 6.7 44.3 28 30 A I E -m 411 0C 20 382,-1.3 384,-3.3 -2,-0.3 2,-0.4 -0.603 26.3-126.6 -98.9 161.0 -14.0 4.4 43.4 29 31 A R E -m 412 0C 103 -2,-0.2 -10,-0.4 382,-0.2 384,-0.2 -0.936 27.5-128.1-107.6 136.8 -10.4 4.4 44.8 30 32 A C - 0 0 7 382,-2.3 385,-0.3 -2,-0.4 -12,-0.3 -0.486 1.9-139.0 -87.4 153.3 -7.6 4.5 42.2 31 33 A L S S- 0 0 81 -14,-3.7 2,-0.3 1,-0.3 384,-0.2 0.912 79.5 -17.4 -75.0 -46.5 -4.7 2.1 42.1 32 34 A S E -I 17 0B 47 -15,-0.9 -15,-2.8 382,-0.1 2,-0.3 -0.974 58.6-139.2-157.1 166.9 -2.1 4.7 41.2 33 35 A Q E +I 16 0B 25 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.962 24.0 156.7-131.1 145.7 -1.6 8.3 39.9 34 36 A R E -I 15 0B 59 -19,-1.9 -19,-2.9 -2,-0.3 2,-0.3 -0.987 32.3-122.6-158.5 166.7 0.8 10.0 37.5 35 37 A W E -I 14 0B 56 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.843 28.8-175.9-107.5 154.0 1.3 12.9 35.2 36 38 A Q E -I 13 0B 22 -23,-1.9 -23,-2.9 -2,-0.3 2,-0.9 -0.999 32.8-115.8-149.6 143.1 2.2 12.6 31.5 37 39 A R E +I 12 0B 6 -2,-0.3 -25,-0.2 -25,-0.2 9,-0.1 -0.739 52.6 169.6 -79.3 108.7 3.1 14.8 28.6 38 40 A G E +I 11 0B 0 -27,-3.7 -27,-1.4 -2,-0.9 4,-0.1 -0.124 21.7 107.9-108.1-156.7 0.2 14.2 26.2 39 41 A G S > S- 0 0 12 -29,-0.3 4,-2.9 3,-0.1 5,-0.2 0.128 71.5 -97.6 89.9 144.8 -1.3 15.6 23.0 40 42 A N H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.967 122.4 39.2 -63.8 -57.5 -1.1 13.8 19.7 41 43 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 118.2 52.7 -60.9 -34.1 1.9 15.6 18.1 42 44 A S H > S+ 0 0 0 -33,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.916 109.1 47.6 -66.4 -45.7 3.6 15.5 21.6 43 45 A N H X S+ 0 0 7 -4,-2.9 4,-1.7 1,-0.2 3,-0.2 0.922 109.4 53.9 -60.5 -47.9 3.0 11.8 22.0 44 46 A S H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.898 104.4 54.8 -54.1 -45.0 4.4 11.1 18.5 45 47 A C H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.884 106.1 53.0 -56.4 -40.2 7.6 13.0 19.4 46 48 A T H X S+ 0 0 2 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.883 112.9 43.3 -62.1 -38.1 8.1 10.8 22.4 47 49 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.957 113.0 49.6 -77.4 -49.9 7.8 7.7 20.2 48 50 A L H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 4,-0.4 0.898 114.4 49.1 -49.5 -44.6 10.0 8.9 17.4 49 51 A S H ><5S+ 0 0 25 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.940 108.2 49.6 -62.5 -53.6 12.5 9.9 20.0 50 52 A L H 3<5S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 109.4 55.7 -59.4 -23.7 12.5 6.6 21.9 51 53 A L T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.560 123.1-105.4 -86.5 -10.2 13.0 4.9 18.4 52 54 A G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.494 75.2 132.0 104.6 6.7 16.1 7.0 17.7 53 55 A A < - 0 0 13 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.806 57.1-125.7 -95.5 122.4 14.9 9.6 15.2 54 56 A P + 0 0 77 0, 0.0 -50,-1.6 0, 0.0 2,-0.3 -0.459 45.8 161.9 -63.6 135.8 15.8 13.2 15.9 55 57 A C E -b 4 0A 2 23,-0.4 25,-1.7 -52,-0.3 2,-0.3 -0.894 29.9-141.5-150.0 175.6 12.6 15.3 15.9 56 58 A A E -bc 5 80A 0 -52,-1.9 -50,-2.3 -2,-0.3 2,-0.3 -0.997 11.4-138.8-148.2 138.5 11.0 18.5 17.0 57 59 A F E -b 6 0A 0 23,-2.0 26,-0.4 -2,-0.3 2,-0.4 -0.764 14.3-172.4 -97.6 146.4 7.6 19.6 18.3 58 60 A M E +b 7 0A 3 -52,-1.8 -50,-1.2 -2,-0.3 2,-0.3 -0.893 32.4 108.4-139.5 107.8 5.7 22.7 17.3 59 61 A G - 0 0 1 -2,-0.4 26,-1.0 -52,-0.2 -50,-0.1 -0.950 65.7 -71.2-159.8 177.4 2.6 23.9 19.0 60 62 A S E +q 85 0D 13 -2,-0.3 2,-0.3 -52,-0.2 -50,-0.2 -0.412 43.8 176.1 -77.8 152.1 1.3 26.6 21.3 61 63 A M E -q 86 0D 0 24,-0.7 26,-1.3 -2,-0.1 31,-0.1 -0.935 23.7-139.9-157.2 131.3 2.3 26.9 25.0 62 64 A A > - 0 0 8 -2,-0.3 5,-0.5 24,-0.2 30,-0.2 -0.819 35.2-111.8 -91.5 127.3 1.5 29.4 27.7 63 65 A P T 5 + 0 0 85 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.258 69.9 90.9 -59.7 143.2 4.5 30.2 30.0 64 66 A G T >5S- 0 0 36 1,-0.1 4,-1.4 27,-0.1 5,-0.0 -0.976 91.1 -57.2 161.5-166.6 4.1 28.9 33.6 65 67 A H H >5S+ 0 0 161 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.826 128.4 55.5 -76.1 -33.2 4.7 25.9 35.8 66 68 A V H >>5S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.988 110.5 44.7 -57.2 -61.4 2.7 23.6 33.6 67 69 A A H 3><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-1.5 0.959 113.3 43.1 -46.5 -57.4 10.5 17.3 26.1 75 77 A R H ><5S+ 0 0 173 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.819 105.4 62.2 -66.2 -28.0 14.2 18.0 26.7 76 78 A R H 3<5S+ 0 0 165 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.673 110.6 42.5 -71.0 -13.3 14.6 14.9 28.9 77 79 A R T <<5S- 0 0 47 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.376 118.7-112.0-110.7 -3.0 13.7 13.0 25.7 78 80 A G T < 5 + 0 0 59 -3,-1.1 2,-0.7 -4,-0.3 -23,-0.4 0.726 60.9 155.7 77.6 22.6 15.8 15.1 23.4 79 81 A V < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.761 45.3-125.3 -88.2 116.9 12.9 16.7 21.6 80 82 A D B +c 56 0A 54 -25,-1.7 -23,-2.0 -2,-0.7 3,-0.2 -0.408 31.7 174.7 -54.0 118.9 13.7 20.0 20.0 81 83 A V > + 0 0 18 -2,-0.2 3,-2.7 -25,-0.2 -1,-0.2 0.357 46.8 109.8-108.5 3.5 11.3 22.6 21.3 82 84 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -24,-0.0 -24,-0.1 0.726 75.2 57.8 -51.5 -23.2 12.9 25.6 19.6 83 85 A Q T 3 S+ 0 0 32 -26,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.370 74.6 133.3 -95.2 5.4 10.0 25.9 17.3 84 86 A V < - 0 0 11 -3,-2.7 2,-1.7 -26,-0.1 -24,-0.2 -0.362 56.3-135.1 -62.2 128.3 7.3 26.3 20.0 85 87 A A E -q 60 0D 16 -26,-1.0 -24,-0.7 -2,-0.1 -1,-0.1 -0.565 29.6-155.6 -84.0 77.0 4.9 29.2 19.3 86 88 A W E -q 61 0D 123 -2,-1.7 2,-0.2 -26,-0.2 -24,-0.2 0.080 13.0-168.7 -50.3 162.7 4.8 30.7 22.8 87 89 A Q - 0 0 39 -26,-1.3 -1,-0.1 1,-0.1 3,-0.1 -0.800 31.6-156.0-143.6 179.5 1.8 32.8 23.9 88 90 A S S S+ 0 0 118 -2,-0.2 2,-0.1 -26,-0.1 -1,-0.1 0.495 76.9 71.7-132.8 -36.4 0.4 35.2 26.6 89 91 A K S S+ 0 0 162 25,-0.1 -1,-0.1 2,-0.0 25,-0.0 -0.412 93.3 10.8 -75.6 159.1 -3.3 34.7 26.3 90 92 A G S S- 0 0 31 25,-0.1 2,-0.2 -2,-0.1 24,-0.2 0.319 81.6 -89.9 61.9 169.1 -5.0 31.4 27.6 91 93 A D - 0 0 112 22,-0.8 24,-0.4 -29,-0.0 22,-0.3 -0.594 42.9 -90.3-105.6 173.0 -3.5 28.6 29.7 92 94 A T - 0 0 11 -30,-0.2 -81,-0.1 -2,-0.2 -31,-0.1 -0.754 55.5-108.0 -82.2 131.5 -1.8 25.3 28.6 93 95 A P - 0 0 4 0, 0.0 -81,-1.6 0, 0.0 2,-0.3 -0.074 40.3-178.3 -59.1 155.9 -4.5 22.7 28.2 94 96 A S E -jK 12 111B 12 17,-1.1 17,-2.1 -83,-0.2 2,-0.3 -0.920 5.1-163.1-144.0 173.4 -4.9 19.8 30.7 95 97 A S E -jK 13 110B 1 -83,-1.7 -81,-2.3 -2,-0.3 2,-0.5 -0.995 22.0-124.3-154.8 156.0 -7.1 16.8 31.1 96 98 A C E -jK 14 109B 4 13,-2.2 13,-2.8 -2,-0.3 2,-0.6 -0.941 30.6-165.4-103.1 127.9 -8.3 14.2 33.5 97 99 A C E -jK 15 108B 1 -83,-2.6 -81,-2.7 -2,-0.5 2,-0.6 -0.950 9.9-166.0-121.1 117.3 -7.6 10.7 32.2 98 100 A I E -jK 16 107B 7 9,-2.8 9,-3.0 -2,-0.6 2,-0.5 -0.904 10.8-166.7 -97.7 124.2 -9.2 7.6 33.7 99 101 A I E -jK 17 106B 0 -83,-2.5 -81,-2.6 -2,-0.6 2,-0.8 -0.962 15.2-140.4-116.8 123.9 -7.5 4.4 32.6 100 102 A N E >> -j 18 0B 8 5,-3.1 4,-1.9 -2,-0.5 3,-1.5 -0.721 7.9-158.0 -85.2 109.6 -9.2 1.1 33.2 101 103 A N T 34 S+ 0 0 57 -83,-3.7 -82,-0.2 -2,-0.8 -1,-0.1 0.415 85.3 64.4 -70.2 2.2 -6.5 -1.3 34.2 102 104 A S T 34 S+ 0 0 79 -84,-0.2 -1,-0.3 3,-0.1 146,-0.2 0.545 128.7 0.1-106.1 -8.3 -8.6 -4.3 33.2 103 105 A N T <4 S- 0 0 60 -3,-1.5 146,-0.2 146,-0.2 -2,-0.2 0.226 95.1-113.9-154.5 15.0 -8.7 -3.6 29.4 104 106 A G < + 0 0 0 -4,-1.9 147,-2.5 145,-0.4 -3,-0.2 0.607 56.5 162.4 57.6 14.7 -6.7 -0.4 29.2 105 107 A N - 0 0 45 -5,-0.4 -5,-3.1 143,-0.2 2,-0.4 -0.348 23.2-154.9 -54.8 143.5 -9.7 1.6 28.1 106 108 A R E -K 99 0B 47 -7,-0.2 2,-0.5 145,-0.1 -7,-0.2 -0.987 13.4-165.3-136.0 130.5 -9.1 5.3 28.6 107 109 A T E -K 98 0B 3 -9,-3.0 -9,-2.8 -2,-0.4 2,-0.5 -0.949 11.6-162.6-115.6 127.2 -11.5 8.1 29.1 108 110 A I E -Kl 97 329B 14 220,-2.4 222,-2.5 -2,-0.5 2,-0.7 -0.949 13.7-166.5-120.2 125.8 -10.3 11.6 28.7 109 111 A V E -Kl 96 330B 5 -13,-2.8 -13,-2.2 -2,-0.5 2,-0.2 -0.925 25.1-158.5-107.8 104.7 -11.9 14.8 30.0 110 112 A L E -Kl 95 331B 9 220,-3.5 222,-2.8 -2,-0.7 2,-0.4 -0.558 14.8-158.5 -91.6 149.7 -10.2 17.6 28.1 111 113 A H E -K 94 0B 40 -17,-2.1 -17,-1.1 -2,-0.2 2,-0.3 -0.850 9.5-162.2-127.5 93.2 -9.9 21.3 29.1 112 114 A D - 0 0 41 -2,-0.4 -20,-0.1 220,-0.2 -17,-0.0 -0.579 3.5-158.9 -76.6 142.0 -9.2 23.6 26.2 113 115 A T - 0 0 12 -22,-0.3 -22,-0.8 -2,-0.3 -1,-0.1 -0.036 42.0-103.7-119.1 27.2 -7.9 27.0 27.3 114 116 A S + 0 0 113 1,-0.2 3,-0.1 -24,-0.2 -25,-0.1 0.177 63.5 164.0 69.7 -21.2 -8.6 29.2 24.3 115 117 A L - 0 0 19 -24,-0.4 -1,-0.2 1,-0.1 2,-0.2 0.021 44.3-112.7 -28.3 121.0 -4.8 29.0 23.7 116 118 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.492 31.2-119.8 -64.4 132.7 -4.5 30.2 20.1 117 119 A D - 0 0 58 -2,-0.2 -58,-0.1 1,-0.1 -108,-0.0 -0.286 37.4 -82.8 -70.8 157.4 -3.4 27.6 17.5 118 120 A V - 0 0 10 -110,-0.1 2,-0.2 -60,-0.1 -1,-0.1 -0.363 55.6-149.8 -55.4 138.2 -0.2 27.8 15.5 119 121 A S > - 0 0 30 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.729 28.6-103.2-115.4 163.8 -0.9 30.0 12.4 120 122 A A H > S+ 0 0 10 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.881 123.7 56.3 -50.2 -40.9 0.3 30.1 8.8 121 123 A T H > S+ 0 0 98 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.978 104.6 49.2 -52.2 -62.2 2.3 33.1 10.0 122 124 A D H >4 S+ 0 0 44 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.894 113.7 47.3 -44.6 -49.4 4.1 31.2 12.8 123 125 A F H >< S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.842 100.2 65.0 -66.8 -37.3 5.0 28.4 10.3 124 126 A E H 3< S+ 0 0 122 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.737 94.9 63.6 -55.7 -23.3 6.2 30.8 7.7 125 127 A K T << S+ 0 0 172 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.3 0.122 85.1 103.3 -91.2 20.8 9.0 31.7 10.2 126 128 A V S < S- 0 0 7 -3,-1.8 2,-1.2 2,-0.0 3,-0.0 -0.896 73.2-125.6-116.2 136.6 10.4 28.1 10.2 127 129 A D > - 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