==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JAN-11 3QA2 . COMPND 2 MOLECULE: KETOHEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.ABAD . 598 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 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 . 4 0.7 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 . 53 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 24.2 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 1 2 1 0 2 0 0 0 3 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 5 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 . 1 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 2 A R 0 0 218 0, 0.0 130,-0.2 0, 0.0 129,-0.1 0.000 360.0 360.0 360.0 -67.0 20.4 19.2 5.4 2 3 A G + 0 0 25 128,-3.6 130,-0.3 1,-0.1 129,-0.2 0.665 360.0 134.6 31.5 62.0 17.1 17.4 6.1 3 4 A S + 0 0 41 128,-0.9 2,-0.3 127,-0.1 129,-0.2 0.511 53.7 80.2-105.4 -6.9 17.8 14.9 8.9 4 5 A Q E -a 132 0A 33 127,-2.5 129,-1.6 50,-0.1 130,-1.1 -0.712 64.0-141.9-110.7 150.8 14.7 15.7 11.0 5 6 A I E -ab 134 56A 2 50,-1.6 52,-2.7 -2,-0.3 2,-0.5 -0.921 22.2-151.7-103.9 132.7 11.0 14.8 11.1 6 7 A L E -ab 135 57A 0 128,-2.8 130,-3.5 -2,-0.5 2,-0.5 -0.895 8.4-166.5-108.0 132.0 8.7 17.6 12.1 7 8 A C E -ab 136 58A 0 50,-2.4 52,-1.9 -2,-0.5 2,-0.5 -0.975 4.3-163.9-116.4 130.4 5.3 17.1 13.7 8 9 A V E +ab 137 59A 0 128,-2.9 130,-3.0 -2,-0.5 2,-0.2 -0.953 45.7 68.1-116.5 119.5 2.9 19.9 13.9 9 10 A G S S- 0 0 10 50,-1.5 52,-0.4 -2,-0.5 2,-0.3 -0.838 76.2 -13.5 176.1-134.1 -0.1 19.8 16.3 10 11 A L - 0 0 26 -2,-0.2 33,-1.6 50,-0.1 2,-0.4 -0.658 28.9-164.8-102.6 148.5 -0.9 19.8 20.0 11 12 A V + 0 0 4 50,-0.4 2,-0.3 -2,-0.3 29,-0.3 -0.992 24.6 173.7-123.3 126.0 1.0 19.4 23.2 12 13 A V E -I 39 0B 6 27,-2.1 27,-3.3 -2,-0.4 2,-0.6 -0.949 35.2-118.8-130.8 144.9 -1.3 18.8 26.2 13 14 A L E -Ij 38 95B 0 81,-1.8 83,-1.6 -2,-0.3 2,-0.7 -0.789 29.1-153.2 -84.9 121.0 -0.6 17.9 29.8 14 15 A D E -Ij 37 96B 9 23,-3.3 23,-2.5 -2,-0.6 2,-0.8 -0.863 6.3-163.7 -99.3 110.3 -2.2 14.5 30.5 15 16 A V E -Ij 36 97B 13 81,-2.9 83,-2.8 -2,-0.7 2,-0.4 -0.860 23.5-159.1 -94.5 110.8 -3.1 14.1 34.1 16 17 A I E -Ij 35 98B 0 19,-3.0 19,-1.8 -2,-0.8 2,-0.5 -0.730 22.2-173.3-109.5 136.8 -3.6 10.3 34.3 17 18 A S E -Ij 34 99B 5 81,-3.1 83,-2.9 -2,-0.4 2,-0.7 -0.985 13.1-152.9-125.9 123.1 -5.5 8.1 36.7 18 19 A L E +Ij 33 100B 12 15,-2.8 14,-2.4 -2,-0.5 15,-1.2 -0.861 24.1 170.3 -97.1 114.5 -5.2 4.3 36.5 19 20 A V E - j 0 101B 0 81,-2.1 83,-3.2 -2,-0.7 84,-0.2 -0.734 37.3-133.1-114.0 165.8 -8.3 2.6 37.8 20 21 A D S S+ 0 0 89 10,-0.3 2,-0.3 1,-0.3 83,-0.3 0.653 91.2 22.2 -98.9 -15.1 -9.3 -1.1 37.6 21 22 A K S S- 0 0 138 79,-0.1 -1,-0.3 81,-0.1 81,-0.1 -0.995 88.0-105.4-143.8 148.9 -12.8 -0.4 36.5 22 23 A Y - 0 0 39 -2,-0.3 305,-0.1 -3,-0.1 2,-0.0 -0.576 48.6-115.6 -71.8 124.4 -14.5 2.5 34.8 23 24 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.331 21.5-119.1 -70.5 139.4 -16.5 4.2 37.5 24 25 A K > - 0 0 167 1,-0.1 3,-2.5 2,-0.1 -3,-0.0 -0.539 47.3 -85.1 -72.4 138.1 -20.4 4.3 37.2 25 26 A E T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.095 115.2 15.3 -49.0 133.3 -21.7 7.9 37.0 26 27 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.3 375,-0.2 383,-0.2 0.296 108.1 107.2 85.1 -8.4 -22.3 9.5 40.5 27 28 A S < - 0 0 25 -3,-2.5 384,-2.1 381,-0.1 2,-0.4 -0.263 61.4-134.3 -89.7-177.7 -20.1 6.8 42.1 28 29 A E E +m 411 0C 110 382,-0.2 2,-0.3 -3,-0.1 384,-0.2 -0.969 21.3 174.9-146.2 128.0 -16.7 7.0 43.5 29 30 A I E -m 412 0C 29 382,-2.1 384,-3.7 -2,-0.4 2,-0.4 -0.871 28.5-120.1-127.8 161.0 -13.6 4.8 43.1 30 31 A R E -m 413 0C 93 -2,-0.3 -10,-0.3 382,-0.2 2,-0.2 -0.863 29.7-127.7-102.5 134.4 -10.0 4.8 44.2 31 32 A C - 0 0 6 382,-2.5 385,-0.3 -2,-0.4 -12,-0.3 -0.509 5.1-136.8 -82.2 147.9 -7.3 4.8 41.5 32 33 A L S S- 0 0 82 -14,-2.4 2,-0.3 1,-0.2 384,-0.2 0.882 81.0 -22.7 -63.6 -44.3 -4.5 2.2 41.6 33 34 A S E -I 18 0B 44 -15,-1.2 -15,-2.8 382,-0.1 2,-0.3 -0.968 60.3-146.6-161.7 168.0 -1.9 4.9 40.6 34 35 A Q E +I 17 0B 17 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.957 17.2 163.5-144.0 160.7 -1.5 8.3 39.0 35 36 A R E -I 16 0B 58 -19,-1.8 -19,-3.0 -2,-0.3 2,-0.4 -0.985 32.2-112.3-168.0 168.0 1.0 10.2 36.8 36 37 A W E -I 15 0B 54 -2,-0.3 2,-0.4 -21,-0.2 -21,-0.2 -0.903 32.0-175.0-110.7 139.2 1.6 13.1 34.5 37 38 A Q E -I 14 0B 22 -23,-2.5 -23,-3.3 -2,-0.4 2,-0.7 -0.997 31.7-121.2-137.1 140.3 2.4 12.7 30.9 38 39 A R E +I 13 0B 5 -2,-0.4 -25,-0.2 -25,-0.2 2,-0.1 -0.704 55.4 158.6 -71.2 114.7 3.3 14.9 28.0 39 40 A G E +I 12 0B 0 -27,-3.3 -27,-2.1 -2,-0.7 4,-0.2 -0.356 19.2 113.5-126.2-156.0 0.5 14.2 25.6 40 41 A G S > S- 0 0 8 -29,-0.3 4,-2.4 -2,-0.1 5,-0.2 0.041 73.8 -90.7 90.4 148.3 -1.4 15.7 22.6 41 42 A N H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.974 121.7 40.6 -66.4 -59.6 -1.1 13.9 19.3 42 43 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 117.3 53.5 -54.9 -37.6 1.9 15.5 17.5 43 44 A S H > S+ 0 0 0 -33,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.917 106.7 50.5 -61.9 -46.2 3.7 15.5 20.9 44 45 A N H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.874 108.4 51.6 -60.7 -42.0 3.1 11.8 21.4 45 46 A S H X S+ 0 0 2 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.875 106.4 54.8 -63.5 -38.2 4.4 10.9 18.0 46 47 A C H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.921 105.8 52.3 -61.9 -43.5 7.6 12.9 18.7 47 48 A T H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.905 114.3 43.7 -51.6 -44.5 8.0 10.8 21.9 48 49 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.912 111.8 50.3 -76.8 -46.2 7.7 7.7 19.7 49 50 A L H X>S+ 0 0 0 -4,-3.6 5,-2.0 1,-0.2 4,-0.5 0.928 112.1 50.5 -51.8 -48.6 10.0 8.9 16.9 50 51 A S H ><5S+ 0 0 27 -4,-2.8 3,-1.7 -5,-0.2 -2,-0.2 0.931 108.3 50.6 -55.6 -49.2 12.6 9.9 19.5 51 52 A L H 3<5S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.1 55.3 -64.0 -27.2 12.4 6.4 21.1 52 53 A L H 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.565 122.8-105.6 -82.0 -8.6 12.9 4.8 17.7 53 54 A G T <<5S+ 0 0 61 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.351 74.6 137.1 101.6 -3.2 16.1 6.8 17.2 54 55 A A < - 0 0 11 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.658 56.3-126.3 -82.4 119.8 14.7 9.3 14.6 55 56 A P + 0 0 74 0, 0.0 -50,-1.6 0, 0.0 2,-0.3 -0.460 46.4 168.1 -61.0 127.7 15.9 12.9 15.2 56 57 A C E -b 5 0A 3 23,-0.4 25,-2.2 -52,-0.3 2,-0.3 -0.920 29.0-147.1-143.8 166.7 12.7 15.0 15.3 57 58 A A E -bc 6 81A 0 -52,-2.7 -50,-2.4 -2,-0.3 2,-0.3 -0.992 10.7-143.3-138.6 143.6 11.2 18.3 16.2 58 59 A F E -b 7 0A 0 23,-2.0 26,-0.6 -2,-0.3 2,-0.3 -0.776 11.5-170.3-102.1 149.5 7.8 19.4 17.5 59 60 A M E +b 8 0A 3 -52,-1.9 -50,-1.5 -2,-0.3 2,-0.3 -0.904 31.5 109.9-141.9 114.5 6.0 22.6 16.5 60 61 A G - 0 0 0 -2,-0.3 26,-1.5 -52,-0.2 2,-0.4 -0.959 64.7 -74.0-163.0 179.1 2.9 23.8 18.3 61 62 A S + 0 0 15 -52,-0.4 -50,-0.4 -2,-0.3 2,-0.3 -0.703 44.6 173.6 -88.6 131.4 1.6 26.6 20.6 62 63 A M - 0 0 1 24,-0.5 26,-2.1 -2,-0.4 31,-0.1 -0.989 23.6-139.6-133.0 146.6 2.6 26.7 24.3 63 64 A A > - 0 0 6 -2,-0.3 5,-0.6 24,-0.2 30,-0.2 -0.921 31.9-110.9-108.2 124.4 2.0 29.3 26.9 64 65 A P T 5 + 0 0 90 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.147 68.5 99.6 -54.6 141.9 4.8 30.1 29.4 65 66 A G T >5S- 0 0 33 1,-0.1 4,-1.4 27,-0.1 5,-0.1 -0.967 89.5 -64.1 167.2-169.6 4.2 28.9 32.9 66 67 A H H >5S+ 0 0 157 -2,-0.3 4,-1.6 2,-0.2 5,-0.1 0.844 131.4 51.7 -73.7 -31.2 4.9 26.1 35.3 67 68 A V H >>5S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.987 109.8 45.4 -65.9 -64.3 3.0 23.7 33.0 68 69 A A H 3>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-1.1 0.939 113.6 45.9 -52.1 -48.5 10.6 17.3 25.4 76 77 A R H <5S+ 0 0 177 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.841 105.4 57.5 -68.1 -36.1 14.2 17.9 26.2 77 78 A R H <5S+ 0 0 223 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.787 112.5 45.4 -60.6 -26.2 14.7 14.7 28.2 78 79 A R H <5S- 0 0 58 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.715 114.6-118.7 -88.3 -23.8 13.5 13.0 25.0 79 80 A G T <5 + 0 0 56 -4,-1.1 2,-0.7 1,-0.3 -23,-0.4 0.639 57.1 156.9 89.8 17.2 15.7 15.0 22.7 80 81 A V < - 0 0 3 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.690 46.0-124.6 -79.6 117.1 12.7 16.5 20.8 81 82 A D B +c 57 0A 47 -25,-2.2 -23,-2.0 -2,-0.7 3,-0.3 -0.489 32.2 177.0 -61.5 113.8 13.8 19.8 19.2 82 83 A V > + 0 0 24 -2,-0.5 3,-2.5 -25,-0.2 -22,-0.2 0.415 46.3 110.3 -98.5 0.1 11.4 22.4 20.5 83 84 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -24,-0.1 -24,-0.1 0.618 72.7 62.1 -58.2 -9.9 13.0 25.4 18.8 84 85 A Q T 3 S+ 0 0 31 -26,-0.6 -1,-0.3 -3,-0.3 2,-0.3 0.284 74.5 134.0 -98.7 12.2 10.0 25.7 16.5 85 86 A V < - 0 0 14 -3,-2.5 2,-1.5 -26,-0.2 -24,-0.2 -0.465 53.6-139.4 -73.3 127.5 7.5 26.4 19.2 86 87 A A - 0 0 10 -26,-1.5 -24,-0.5 -2,-0.3 -1,-0.1 -0.616 24.8-154.3 -83.1 80.2 5.0 29.2 18.7 87 88 A W - 0 0 121 -2,-1.5 2,-0.3 -26,-0.2 -24,-0.2 -0.254 7.8-153.9 -58.0 137.9 4.9 30.8 22.2 88 89 A Q - 0 0 33 -26,-2.1 3,-0.1 1,-0.1 -1,-0.1 -0.754 20.8-162.6-110.4 158.7 1.7 32.6 23.1 89 90 A S S S+ 0 0 129 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.711 80.7 59.4-105.2 -36.4 1.1 35.5 25.5 90 91 A K S S+ 0 0 152 25,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.817 94.5 23.7 -96.2 127.0 -2.7 35.0 25.8 91 92 A G S S- 0 0 25 -2,-0.5 2,-0.3 25,-0.1 -3,-0.1 -0.351 73.1 -80.3 116.8 168.9 -4.1 31.7 27.0 92 93 A D - 0 0 106 -2,-0.1 24,-0.2 -30,-0.0 22,-0.2 -0.759 41.2-100.9-109.5 155.1 -3.5 28.6 29.1 93 94 A T - 0 0 18 -2,-0.3 -81,-0.1 -30,-0.2 -31,-0.1 -0.602 47.9-119.7 -68.3 122.3 -1.7 25.3 28.4 94 95 A P + 0 0 15 0, 0.0 -81,-1.8 0, 0.0 2,-0.3 -0.298 40.2 174.1 -64.4 152.0 -4.4 22.8 27.6 95 96 A S E -jK 13 112B 6 17,-1.0 17,-2.8 -83,-0.2 2,-0.3 -0.852 10.5-162.4-141.6-177.0 -4.6 19.8 29.9 96 97 A S E -jK 14 111B 2 -83,-1.6 -81,-2.9 -2,-0.3 2,-0.5 -0.973 22.8-117.6-166.2 154.0 -6.9 16.9 30.4 97 98 A C E -jK 15 110B 3 13,-1.9 13,-2.8 -2,-0.3 2,-0.6 -0.875 29.9-166.4 -95.3 126.5 -8.0 14.2 32.8 98 99 A C E -jK 16 109B 1 -83,-2.8 -81,-3.1 -2,-0.5 2,-0.6 -0.952 7.5-165.4-119.8 113.6 -7.3 10.7 31.5 99 100 A I E -jK 17 108B 7 9,-2.5 9,-2.5 -2,-0.6 2,-0.6 -0.879 10.7-163.5 -92.7 120.4 -8.9 7.7 33.2 100 101 A I E -jK 18 107B 0 -83,-2.9 -81,-2.1 -2,-0.6 2,-0.8 -0.930 13.4-139.9-107.7 122.1 -7.2 4.6 32.0 101 102 A N E >> -j 19 0B 6 5,-3.4 4,-2.3 -2,-0.6 3,-1.3 -0.720 10.7-161.4 -84.2 111.0 -9.0 1.3 32.7 102 103 A N T 34 S+ 0 0 55 -83,-3.2 -82,-0.2 -2,-0.8 -1,-0.2 0.685 82.5 63.0 -68.5 -21.4 -6.4 -1.2 33.7 103 104 A S T 34 S+ 0 0 85 -83,-0.3 -1,-0.3 -84,-0.2 146,-0.2 0.672 129.5 3.3 -78.3 -16.0 -8.5 -4.3 33.0 104 105 A N T <4 S- 0 0 57 -3,-1.3 -2,-0.2 146,-0.2 146,-0.2 0.308 96.2-114.1-153.0 2.6 -8.7 -3.6 29.3 105 106 A G < + 0 0 0 -4,-2.3 147,-2.3 145,-0.3 -3,-0.2 0.482 56.7 158.9 71.7 3.2 -6.6 -0.5 28.6 106 107 A N - 0 0 40 -5,-0.4 -5,-3.4 143,-0.2 2,-0.4 -0.250 25.7-154.2 -51.9 145.0 -9.6 1.6 27.7 107 108 A R E -K 100 0B 51 -7,-0.2 2,-0.5 145,-0.1 -7,-0.2 -0.997 11.0-166.2-136.3 132.7 -8.8 5.3 28.0 108 109 A T E -K 99 0B 3 -9,-2.5 -9,-2.5 -2,-0.4 2,-0.5 -0.976 10.8-162.2-125.1 117.6 -11.3 8.1 28.6 109 110 A I E -Kl 98 330B 14 220,-2.2 222,-3.1 -2,-0.5 2,-0.7 -0.897 14.5-167.2-114.8 123.7 -10.1 11.7 28.1 110 111 A V E -Kl 97 331B 4 -13,-2.8 -13,-1.9 -2,-0.5 2,-0.3 -0.917 22.9-156.2-104.5 104.3 -11.7 14.9 29.3 111 112 A L E -Kl 96 332B 13 220,-3.8 222,-2.7 -2,-0.7 2,-0.8 -0.653 13.2-156.6 -84.8 132.9 -10.0 17.7 27.4 112 113 A H E -K 95 0B 40 -17,-2.8 -17,-1.0 -2,-0.3 2,-0.7 -0.853 18.0-161.0-103.4 92.2 -9.8 21.2 28.8 113 114 A D - 0 0 40 -2,-0.8 -20,-0.1 220,-0.3 -17,-0.0 -0.667 10.3-157.7 -83.2 116.7 -9.4 23.2 25.6 114 115 A T - 0 0 16 -2,-0.7 -21,-0.1 -22,-0.2 -1,-0.1 -0.015 32.5 -98.9 -80.8-175.4 -8.0 26.6 26.4 115 116 A S S S+ 0 0 90 2,-0.1 -24,-0.1 -22,-0.0 -1,-0.1 0.949 74.3 136.6 -64.1 -49.8 -8.1 29.8 24.5 116 117 A L - 0 0 13 -24,-0.2 2,-0.2 1,-0.1 -25,-0.1 0.511 56.9-120.5 -10.4 123.6 -4.5 29.2 23.3 117 118 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.547 22.3-116.6 -80.4 136.7 -4.3 30.0 19.6 118 119 A D - 0 0 57 -2,-0.2 2,-0.1 1,-0.1 -58,-0.1 -0.249 38.8 -91.0 -65.8 157.0 -3.3 27.4 17.0 119 120 A V - 0 0 8 -110,-0.2 2,-0.3 -60,-0.1 22,-0.1 -0.434 51.0-150.3 -65.3 144.9 -0.1 27.8 15.0 120 121 A S > - 0 0 25 -2,-0.1 4,-2.8 -3,-0.1 3,-0.4 -0.783 32.4-102.1-121.6 163.0 -0.7 29.6 11.7 121 122 A A H > S+ 0 0 11 -2,-0.3 4,-3.1 1,-0.3 5,-0.1 0.814 124.4 62.5 -47.2 -31.2 0.6 29.8 8.1 122 123 A T H 4 S+ 0 0 97 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.965 106.8 38.2 -56.7 -59.3 2.2 32.9 9.6 123 124 A D H >4 S+ 0 0 43 -3,-0.4 3,-0.6 1,-0.2 -2,-0.2 0.848 119.3 50.8 -62.9 -35.0 4.2 31.1 12.2 124 125 A F H >< S+ 0 0 0 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.878 96.6 65.1 -73.2 -40.0 4.9 28.3 9.7 125 126 A E T 3< S+ 0 0 112 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.697 97.1 62.8 -51.8 -17.7 6.1 30.7 6.9 126 127 A K T < S+ 0 0 156 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.3 0.293 83.6 109.3 -94.5 7.9 8.9 31.4 9.3 127 128 A V < - 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