==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-SEP-98 1GSO . COMPND 2 MOLECULE: PROTEIN (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.WANG,T.J.KAPPOCK,J.STUBBE,S.E.EALICK . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 20.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 0 2 1 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 2 1 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 -2 A E 0 0 198 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.8 53.1 71.3 43.4 2 -1 A F - 0 0 112 1,-0.0 25,-0.2 25,-0.0 24,-0.1 -0.823 360.0-109.1-114.8 152.8 52.9 69.6 40.0 3 1 A M E -a 27 0A 27 23,-3.2 25,-2.8 -2,-0.3 26,-1.1 -0.327 12.1-149.9 -80.4 154.7 53.0 65.9 38.9 4 2 A K E -a 29 0A 61 62,-0.2 64,-2.3 23,-0.2 65,-1.1 -0.991 20.2-160.8-121.8 126.4 55.5 63.7 37.2 5 3 A V E -ab 30 69A 0 24,-2.5 26,-3.4 -2,-0.4 2,-0.4 -0.844 8.1-152.9-112.8 147.9 54.2 60.9 35.0 6 4 A L E -ab 31 70A 0 63,-2.5 65,-2.9 -2,-0.3 2,-0.5 -0.986 6.5-168.8-120.6 126.0 55.8 57.7 33.7 7 5 A V E -ab 32 71A 0 24,-2.8 26,-2.2 -2,-0.4 2,-0.5 -0.971 13.8-146.7-114.7 122.1 54.6 55.9 30.6 8 6 A I E +ab 33 72A 0 63,-2.1 65,-1.8 -2,-0.5 2,-0.2 -0.800 56.3 57.0 -91.1 125.5 56.0 52.4 29.9 9 7 A G E -a 34 0A 0 24,-2.6 26,-2.3 -2,-0.5 -2,-0.1 -0.787 60.3-130.1 144.4 175.7 56.5 51.6 26.2 10 8 A N + 0 0 90 -2,-0.2 2,-0.1 24,-0.2 -1,-0.1 0.179 68.9 83.8-148.8 21.2 58.2 52.6 23.0 11 9 A G S > S- 0 0 11 354,-0.1 4,-1.6 25,-0.1 352,-0.2 -0.321 92.0 -79.0-113.3-163.5 55.6 52.6 20.2 12 10 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.840 124.3 58.0 -67.2 -37.4 53.0 54.9 18.6 13 11 A R H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 109.6 45.0 -59.0 -43.9 50.4 54.0 21.4 14 12 A E H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.825 108.9 54.3 -70.9 -35.4 52.9 55.3 24.0 15 13 A H H X S+ 0 0 2 -4,-1.6 4,-2.2 348,-0.3 -2,-0.2 0.942 113.4 45.5 -63.5 -41.9 53.8 58.5 22.0 16 14 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 114.1 46.6 -66.5 -47.8 50.0 59.2 21.9 17 15 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.922 116.3 44.5 -61.1 -45.5 49.4 58.4 25.6 18 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.865 111.9 52.7 -66.9 -39.8 52.4 60.5 26.8 19 17 A W H < S+ 0 0 17 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.908 113.2 44.6 -62.1 -45.0 51.5 63.4 24.4 20 18 A K H >< S+ 0 0 15 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.921 110.5 53.6 -67.2 -44.4 48.0 63.5 25.9 21 19 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 6,-0.2 0.879 102.9 58.9 -58.0 -38.4 49.1 63.2 29.5 22 20 A A T 3< S+ 0 0 30 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.655 92.0 68.7 -67.0 -16.6 51.4 66.2 29.0 23 21 A Q T < S+ 0 0 98 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.657 77.3 103.7 -76.5 -15.8 48.4 68.3 28.1 24 22 A S X - 0 0 6 -3,-1.5 3,-1.2 -4,-0.4 -3,-0.0 -0.465 69.6-144.2 -69.5 131.8 47.2 68.1 31.7 25 23 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.666 100.0 66.9 -70.4 -13.3 47.8 71.3 33.7 26 24 A L T 3 S+ 0 0 76 -24,-0.1 -23,-3.2 2,-0.0 2,-0.3 0.707 93.2 77.1 -75.8 -21.1 48.5 69.0 36.7 27 25 A V E < +a 3 0A 18 -3,-1.2 -23,-0.2 -6,-0.2 3,-0.1 -0.729 43.2 172.0-101.5 140.6 51.6 67.7 35.0 28 26 A E E S+ 0 0 87 -25,-2.8 2,-0.3 1,-0.3 -24,-0.2 0.621 75.0 15.3-112.5 -23.1 55.1 69.2 34.6 29 27 A T E -a 4 0A 30 -26,-1.1 -24,-2.5 2,-0.0 2,-0.5 -0.992 54.4-159.0-154.8 143.1 57.0 66.3 33.1 30 28 A V E -ac 5 45A 0 14,-2.0 16,-2.2 -2,-0.3 2,-0.3 -0.988 13.5-159.1-126.6 117.9 56.2 62.9 31.4 31 29 A F E -ac 6 46A 25 -26,-3.4 -24,-2.8 -2,-0.5 2,-0.4 -0.752 3.9-159.2 -93.7 144.7 58.9 60.2 31.3 32 30 A V E -ac 7 47A 0 14,-2.3 16,-2.4 -2,-0.3 -24,-0.2 -0.981 15.8-128.8-130.1 120.6 58.8 57.5 28.7 33 31 A A E S-a 8 0A 1 -26,-2.2 -24,-2.6 -2,-0.4 16,-0.1 -0.916 89.7 -22.4-116.1 110.7 60.6 54.2 29.2 34 32 A P E S+a 9 0A 37 0, 0.0 -1,-0.2 0, 0.0 -24,-0.2 -0.997 94.5 170.4 -94.3 -7.4 62.2 53.6 26.8 35 33 A G - 0 0 11 -26,-2.3 2,-0.2 12,-0.1 -20,-0.0 -0.161 25.5-113.6 72.0-170.4 60.3 55.8 24.3 36 34 A N > - 0 0 12 -25,-0.1 4,-1.8 331,-0.1 331,-0.2 -0.744 40.6 -71.6-146.5-166.6 61.3 56.6 20.7 37 35 A A H > S+ 0 0 0 329,-1.1 4,-1.7 -2,-0.2 330,-0.1 0.848 125.6 57.4 -67.7 -32.7 62.4 59.6 18.5 38 36 A G H > S+ 0 0 1 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.881 109.6 43.1 -64.8 -40.8 58.8 61.0 18.6 39 37 A T H >4 S+ 0 0 1 2,-0.2 3,-0.6 1,-0.2 6,-0.3 0.858 110.8 55.7 -73.3 -35.4 58.7 61.2 22.4 40 38 A A H 3< S+ 0 0 40 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.853 106.0 53.3 -63.8 -33.9 62.3 62.6 22.5 41 39 A L H 3< S+ 0 0 101 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.679 86.8 96.1 -75.5 -20.8 61.2 65.4 20.2 42 40 A E S X< S- 0 0 23 -4,-0.6 3,-1.0 -3,-0.6 -3,-0.0 -0.586 75.2-137.0 -73.2 129.6 58.2 66.5 22.4 43 41 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.916 100.6 42.3 -51.3 -49.7 59.2 69.4 24.7 44 42 A A T 3 S+ 0 0 41 -15,-0.1 -14,-2.0 -25,-0.1 2,-0.3 0.508 101.9 83.1 -79.5 -6.7 57.4 68.0 27.8 45 43 A L E < -c 30 0A 2 -3,-1.0 2,-0.4 -6,-0.3 -14,-0.2 -0.782 54.1-169.0-104.6 145.1 58.6 64.3 27.4 46 44 A Q E -c 31 0A 103 -16,-2.2 -14,-2.3 -2,-0.3 2,-0.2 -0.990 18.2-132.7-133.5 126.1 61.9 62.8 28.4 47 45 A N E -c 32 0A 61 -2,-0.4 2,-0.4 -16,-0.2 -14,-0.2 -0.513 14.3-160.2 -77.9 143.5 63.1 59.3 27.4 48 46 A V - 0 0 22 -16,-2.4 2,-2.1 -2,-0.2 -2,-0.0 -0.993 20.1-130.6-125.5 120.5 64.5 56.9 30.1 49 47 A A + 0 0 105 -2,-0.4 2,-0.4 -16,-0.1 -16,-0.1 -0.438 62.2 121.3 -75.7 74.1 66.7 54.0 28.9 50 48 A I - 0 0 27 -2,-2.1 -2,-0.1 8,-0.0 2,-0.1 -0.999 61.0-116.1-136.4 135.3 65.1 51.1 30.7 51 49 A G > - 0 0 36 -2,-0.4 3,-1.7 1,-0.1 7,-0.2 -0.414 20.8-121.6 -73.0 148.5 63.5 48.0 29.2 52 50 A V T 3 S+ 0 0 33 1,-0.3 -1,-0.1 -2,-0.1 -44,-0.0 0.681 112.3 45.3 -62.6 -21.1 59.8 47.2 29.5 53 51 A T T 3 S+ 0 0 71 1,-0.1 2,-1.5 23,-0.0 -1,-0.3 0.339 83.9 99.8-103.8 5.0 60.5 43.8 31.2 54 52 A D <> + 0 0 77 -3,-1.7 4,-2.2 1,-0.2 3,-0.2 -0.592 46.5 168.4 -91.1 74.3 63.1 45.1 33.6 55 53 A I H > + 0 0 13 -2,-1.5 4,-2.6 1,-0.2 5,-0.2 0.876 70.0 53.6 -56.1 -47.9 60.8 45.4 36.6 56 54 A P H > S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.911 112.8 45.5 -57.4 -40.0 63.4 46.0 39.3 57 55 A A H > S+ 0 0 27 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.886 111.6 50.9 -70.0 -40.4 64.8 49.0 37.2 58 56 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 112.8 46.8 -63.6 -41.7 61.4 50.5 36.5 59 57 A L H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.929 110.6 52.0 -64.5 -47.0 60.5 50.3 40.2 60 58 A D H X S+ 0 0 86 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.890 112.0 47.1 -57.1 -42.6 63.8 51.9 41.2 61 59 A F H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.945 110.6 50.4 -65.2 -50.5 63.3 54.7 38.8 62 60 A A H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.4 0.848 114.6 45.6 -57.3 -36.0 59.7 55.4 39.8 63 61 A Q H <5S+ 0 0 92 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.934 114.1 46.0 -73.6 -47.4 60.8 55.5 43.5 64 62 A N H <5S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.838 119.5 40.2 -65.1 -37.6 63.9 57.7 43.0 65 63 A E T <5S- 0 0 79 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.477 106.1-129.1 -89.2 -5.4 62.1 60.2 40.8 66 64 A K T 5 - 0 0 160 -3,-0.5 -62,-0.2 -4,-0.4 -3,-0.2 0.943 28.6-157.1 54.1 57.1 58.9 60.1 43.0 67 65 A I < - 0 0 12 -5,-2.1 25,-0.3 1,-0.1 -62,-0.2 -0.435 12.5-158.0 -67.0 130.2 56.6 59.5 40.0 68 66 A D S S+ 0 0 66 -64,-2.3 2,-0.3 1,-0.3 -63,-0.2 0.763 75.4 11.4 -81.1 -28.4 53.0 60.5 40.8 69 67 A L E -b 5 0A 0 -65,-1.1 -63,-2.5 22,-0.1 2,-0.4 -0.956 60.3-159.8-154.9 132.6 51.3 58.2 38.2 70 68 A T E -bd 6 93A 2 22,-1.6 24,-2.7 -2,-0.3 2,-0.5 -0.938 7.0-166.2-114.2 133.2 52.5 55.4 36.0 71 69 A I E -bd 7 94A 0 -65,-2.9 -63,-2.1 -2,-0.4 2,-0.5 -0.990 14.6-142.4-120.0 121.1 50.6 54.4 32.8 72 70 A V E -b 8 0A 5 22,-1.7 -63,-0.1 -2,-0.5 -65,-0.1 -0.739 18.2-179.2 -91.2 128.3 51.4 51.0 31.2 73 71 A G + 0 0 1 -65,-1.8 215,-0.2 -2,-0.5 -64,-0.2 0.975 55.0 44.3 -86.2 -66.5 51.4 50.7 27.4 74 72 A P S > S- 0 0 21 0, 0.0 4,-0.7 0, 0.0 -66,-0.0 -0.317 73.5-117.8 -85.2 165.6 52.3 47.2 26.2 75 73 A E H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.856 98.6 71.4 -66.6 -41.4 51.3 43.6 27.3 76 74 A A H > S+ 0 0 40 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 100.6 41.1 -46.5 -60.2 54.7 42.3 28.4 77 75 A P H 4>S+ 0 0 0 0, 0.0 5,-2.5 0, 0.0 -1,-0.2 0.838 115.1 55.3 -61.7 -28.8 55.2 44.3 31.6 78 76 A L H ><5S+ 0 0 1 -4,-0.7 3,-1.7 -3,-0.3 5,-0.2 0.956 108.3 43.7 -68.0 -52.1 51.5 43.7 32.5 79 77 A V H 3<5S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.716 110.7 59.0 -67.6 -16.9 51.6 39.9 32.2 80 78 A K T 3<5S- 0 0 129 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.491 120.7-109.9 -87.8 -4.8 54.9 40.1 34.2 81 79 A G T <>5 + 0 0 6 -3,-1.7 4,-2.3 -4,-0.2 -3,-0.2 0.787 63.2 151.5 84.9 31.5 53.1 41.8 37.0 82 80 A V H > S+ 0 0 0 13,-0.4 4,-2.6 -6,-0.2 5,-0.2 0.931 108.0 49.3 -66.0 -45.9 51.1 46.5 38.5 84 82 A D H > S+ 0 0 74 -6,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.929 115.1 46.4 -57.2 -46.6 51.3 44.0 41.4 85 83 A T H X S+ 0 0 52 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.898 113.4 45.7 -64.1 -47.9 54.9 45.2 42.1 86 84 A F H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-0.4 0.910 112.6 50.8 -65.5 -42.1 54.2 48.9 41.9 87 85 A R H ><5S+ 0 0 95 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.831 105.6 56.5 -66.0 -29.1 51.1 48.7 44.1 88 86 A A H 3<5S+ 0 0 92 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.5 49.4 -69.9 -30.5 53.1 46.7 46.7 89 87 A A T 3<5S- 0 0 41 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.246 122.5-108.8 -90.1 8.9 55.5 49.6 46.9 90 88 A G T < 5S+ 0 0 68 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.813 70.3 143.6 68.5 31.9 52.6 52.1 47.3 91 89 A L < - 0 0 31 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.2 -0.842 53.7-116.9-105.9 141.8 52.9 53.6 43.8 92 90 A K + 0 0 113 -2,-0.4 -22,-1.6 -25,-0.3 2,-0.3 -0.640 44.0 165.8 -77.4 126.1 50.0 54.8 41.7 93 91 A I E -d 70 0A 1 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.999 29.8-143.9-146.7 136.7 49.7 52.8 38.5 94 92 A F E +d 71 0A 4 -24,-2.7 -22,-1.7 -2,-0.3 172,-0.1 -0.898 60.3 69.8-105.6 114.6 47.0 52.4 35.8 95 93 A G S S- 0 0 3 -2,-0.6 170,-0.2 -24,-0.1 2,-0.2 -0.873 80.7 -65.3 160.2 169.0 46.8 48.9 34.3 96 94 A P - 0 0 0 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.483 44.7-113.7 -82.6 151.8 45.7 45.3 35.1 97 95 A T > - 0 0 33 165,-0.4 4,-2.6 -14,-0.2 3,-0.2 -0.305 41.2 -99.0 -70.3 166.1 47.4 43.0 37.6 98 96 A A T 4 S+ 0 0 31 1,-0.2 4,-0.3 2,-0.2 7,-0.1 0.877 125.7 53.2 -57.6 -36.6 49.1 39.9 36.1 99 97 A G T >4 S+ 0 0 19 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.877 112.2 42.5 -65.9 -40.5 46.1 37.8 37.0 100 98 A A T >4 S+ 0 0 0 -3,-0.2 3,-1.6 1,-0.2 -1,-0.2 0.838 104.2 67.5 -74.0 -31.4 43.6 40.2 35.3 101 99 A A T >X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 3,-1.4 0.541 75.8 88.3 -65.9 -7.1 46.1 40.5 32.3 102 100 A Q H <> + 0 0 57 -3,-0.8 4,-2.3 -4,-0.3 8,-0.4 0.747 66.2 80.2 -62.7 -27.4 45.4 36.8 31.5 103 101 A L H <4 S+ 0 0 3 -3,-1.6 181,-0.4 1,-0.2 -1,-0.3 0.806 113.6 18.3 -50.8 -32.1 42.4 37.9 29.3 104 102 A E H <4 S+ 0 0 20 -3,-1.4 -2,-0.2 -4,-0.1 -1,-0.2 0.801 125.5 55.6-103.0 -48.3 45.0 38.7 26.7 105 103 A G H < S+ 0 0 36 -4,-2.2 2,-0.5 1,-0.1 -3,-0.2 0.657 102.9 52.2 -60.5 -26.5 48.1 36.7 27.8 106 104 A S X - 0 0 42 -4,-2.3 4,-2.3 1,-0.1 5,-0.2 -0.932 55.6-170.8-122.6 111.1 46.5 33.2 28.1 107 105 A K H > S+ 0 0 144 -2,-0.5 4,-2.2 2,-0.2 5,-0.2 0.902 92.1 48.0 -61.6 -44.6 44.6 31.7 25.2 108 106 A A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 111.4 50.9 -62.5 -47.0 43.4 28.7 27.2 109 107 A F H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.934 111.8 46.3 -55.3 -53.3 42.2 30.9 30.0 110 108 A T H X S+ 0 0 21 -4,-2.3 4,-2.4 -8,-0.4 5,-0.2 0.898 110.9 51.5 -59.8 -43.9 40.3 33.3 27.8 111 109 A K H X S+ 0 0 86 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.927 114.8 42.7 -60.5 -45.9 38.6 30.5 25.8 112 110 A D H X S+ 0 0 96 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 112.8 53.1 -68.2 -40.9 37.4 28.8 29.0 113 111 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.917 109.1 48.3 -61.2 -46.7 36.4 32.1 30.7 114 112 A L H <>S+ 0 0 11 -4,-2.4 5,-2.2 1,-0.2 4,-0.4 0.872 112.5 49.5 -62.5 -38.6 34.2 33.1 27.7 115 113 A A H ><5S+ 0 0 55 -4,-1.6 3,-0.9 -5,-0.2 -2,-0.2 0.910 108.1 52.9 -67.8 -43.4 32.5 29.7 27.7 116 114 A R H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 117.1 37.9 -63.2 -32.2 31.8 29.7 31.4 117 115 A H T 3<5S- 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.359 105.7-126.3-101.0 5.5 30.0 33.1 31.2 118 116 A K T < 5 + 0 0 175 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.883 45.1 170.7 51.9 42.8 28.4 32.4 27.8 119 117 A I < - 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