==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-JUN-12 4FH1 . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 13; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.E.BERNDSEN,C.WOLBERGER,R.WIENER . 145 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 18.6 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 7 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 0 0 1 0 1 1 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 1 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 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 S 0 0 171 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.2 -26.2 30.5 15.0 2 4 A L - 0 0 41 1,-0.2 5,-0.1 2,-0.0 29,-0.0 -0.452 360.0 -71.2 -88.2 165.3 -29.1 28.6 16.5 3 5 A P >> - 0 0 59 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.342 45.1-122.8 -51.3 137.8 -30.1 28.5 20.2 4 6 A K H 3> S+ 0 0 175 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.752 111.6 69.2 -61.9 -23.0 -27.5 26.6 22.1 5 7 A R H 3> S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.919 103.1 42.7 -54.4 -46.9 -30.4 24.3 23.2 6 8 A I H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.895 113.1 51.4 -69.7 -43.2 -30.6 23.1 19.6 7 9 A I H X S+ 0 0 66 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 111.3 49.0 -57.4 -45.8 -26.8 22.8 19.2 8 10 A K H X S+ 0 0 141 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.901 111.6 48.0 -62.6 -44.7 -26.6 20.7 22.5 9 11 A E H X S+ 0 0 9 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.904 111.1 51.7 -61.4 -42.8 -29.4 18.4 21.4 10 12 A T H X S+ 0 0 26 -4,-2.4 4,-1.2 1,-0.2 3,-0.5 0.908 108.0 51.0 -62.5 -44.6 -27.8 17.9 17.9 11 13 A E H X S+ 0 0 101 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.861 107.3 53.8 -60.1 -38.4 -24.4 17.0 19.5 12 14 A K H X S+ 0 0 89 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.755 103.6 56.6 -69.4 -27.1 -26.0 14.4 21.7 13 15 A L H < S+ 0 0 28 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.817 112.9 41.2 -73.0 -32.8 -27.6 12.7 18.7 14 16 A V H < S+ 0 0 109 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.1 0.905 123.4 35.9 -77.3 -46.9 -24.2 12.3 17.1 15 17 A S H < S+ 0 0 96 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.860 129.6 27.8 -82.3 -38.4 -22.3 11.2 20.2 16 18 A D S < S- 0 0 39 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.557 84.3-178.4-123.7 68.0 -24.9 9.1 22.1 17 19 A P - 0 0 83 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.108 28.2-115.8 -69.8 163.3 -27.2 7.7 19.3 18 20 A V > - 0 0 26 3,-0.4 3,-2.3 -5,-0.2 -2,-0.0 -0.897 37.1-107.2-102.7 120.0 -30.3 5.5 19.9 19 21 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.151 103.9 15.3 -48.1 126.7 -30.0 2.0 18.4 20 22 A G T 3 S+ 0 0 23 1,-0.2 18,-3.1 17,-0.1 2,-0.4 0.382 110.8 92.4 89.4 -2.1 -32.2 1.6 15.3 21 23 A I E < -A 37 0A 15 -3,-2.3 2,-0.4 16,-0.2 -3,-0.4 -0.986 49.7-172.9-126.2 132.3 -32.7 5.4 14.9 22 24 A T E -A 36 0A 62 14,-2.4 14,-1.7 -2,-0.4 2,-0.3 -0.962 1.4-175.8-119.6 145.5 -30.7 7.8 12.8 23 25 A A E -A 35 0A 14 -2,-0.4 12,-0.2 12,-0.2 -2,-0.0 -0.875 2.7-179.8-144.7 106.4 -31.2 11.6 12.8 24 26 A E E -A 34 0A 118 10,-2.9 10,-2.7 -2,-0.3 2,-0.1 -0.926 14.9-150.7-113.8 114.2 -29.2 13.9 10.4 25 27 A P E -A 33 0A 35 0, 0.0 2,-0.4 0, 0.0 8,-0.2 -0.406 28.6-109.7 -72.2 159.8 -29.7 17.6 10.4 26 28 A H E > -A 29 0A 87 6,-1.5 3,-0.6 3,-1.0 6,-0.3 -0.795 8.8-138.7-100.3 135.9 -29.1 19.4 7.1 27 29 A D T 3 S+ 0 0 158 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.853 106.1 49.6 -55.4 -40.8 -26.1 21.7 6.5 28 30 A D T 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.760 131.1 15.5 -72.2 -27.0 -28.2 24.3 4.6 29 31 A N E X -A 26 0A 74 -3,-0.6 3,-1.8 3,-0.2 -3,-1.0 -0.758 63.2-167.6-151.4 102.7 -30.8 24.3 7.4 30 32 A L E 3 S+ 0 0 70 -3,-0.3 -3,-0.1 1,-0.3 -2,-0.0 0.481 85.3 66.8 -75.6 -2.1 -29.9 22.8 10.8 31 33 A R E 3 S+ 0 0 27 -5,-0.1 25,-2.7 -6,-0.1 2,-0.5 0.439 89.2 80.7 -88.4 -2.6 -33.5 22.9 12.1 32 34 A Y E < - B 0 55A 69 -3,-1.8 -6,-1.5 -6,-0.3 2,-0.4 -0.926 63.1-170.8-116.3 120.6 -34.4 20.2 9.5 33 35 A F E -AB 25 54A 0 21,-3.3 21,-2.2 -2,-0.5 2,-0.5 -0.902 19.6-148.8-117.9 133.3 -33.7 16.6 10.2 34 36 A Q E -AB 24 53A 69 -10,-2.7 -10,-2.9 -2,-0.4 2,-0.4 -0.888 29.2-169.7 -91.1 130.2 -33.9 13.5 8.0 35 37 A V E -AB 23 52A 2 17,-3.0 17,-3.0 -2,-0.5 2,-0.4 -0.968 16.5-168.7-127.6 134.2 -34.7 10.5 10.3 36 38 A T E -AB 22 51A 37 -14,-1.7 -14,-2.4 -2,-0.4 2,-0.4 -0.986 6.1-167.5-117.7 137.7 -34.8 6.8 9.7 37 39 A I E -AB 21 50A 0 13,-2.5 13,-2.1 -2,-0.4 -16,-0.2 -0.991 16.3-135.7-123.9 125.1 -36.4 4.4 12.2 38 40 A E E - B 0 49A 95 -18,-3.1 11,-0.2 -2,-0.4 8,-0.1 -0.535 30.7-104.5 -74.3 142.2 -35.8 0.6 12.0 39 41 A G - 0 0 10 9,-2.9 2,-0.1 6,-0.3 -1,-0.1 -0.542 41.9-113.7 -65.9 125.5 -38.8 -1.6 12.4 40 42 A P > - 0 0 27 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.386 32.3-105.5 -63.0 135.8 -38.7 -3.2 15.9 41 43 A E T 3 S+ 0 0 91 1,-0.2 4,-0.0 4,-0.1 6,-0.0 -0.234 105.5 29.7 -56.6 149.9 -38.2 -7.0 16.0 42 44 A Q T 3 S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.829 103.4 102.1 60.5 34.6 -41.3 -9.0 16.9 43 45 A S S X S- 0 0 3 -3,-0.7 3,-2.3 -4,-0.1 -1,-0.3 -0.949 90.2-104.7-136.6 159.4 -43.6 -6.4 15.3 44 46 A P T 3 S+ 0 0 3 0, 0.0 95,-0.2 0, 0.0 3,-0.2 0.582 122.0 53.8 -61.0 -6.0 -45.3 -6.3 11.9 45 47 A Y T > S+ 0 0 0 -5,-0.3 3,-2.4 65,-0.2 -6,-0.3 0.304 70.8 122.9-108.9 7.0 -42.6 -3.9 10.7 46 48 A E T < S+ 0 0 54 -3,-2.3 -1,-0.1 1,-0.3 -7,-0.1 0.720 73.8 45.3 -40.8 -40.8 -39.6 -6.1 11.7 47 49 A D T 3 S+ 0 0 76 -3,-0.2 99,-1.1 -4,-0.2 -1,-0.3 0.525 101.4 86.3 -88.4 -5.3 -38.0 -6.2 8.2 48 50 A G B < -D 145 0B 1 -3,-2.4 -9,-2.9 97,-0.2 2,-0.4 -0.623 57.9-145.5-112.6 156.6 -38.3 -2.5 7.2 49 51 A I E -B 38 0A 35 95,-1.6 95,-0.4 -11,-0.2 2,-0.4 -0.921 24.3-155.2-106.9 138.0 -36.7 0.9 7.4 50 52 A F E -B 37 0A 1 -13,-2.1 -13,-2.5 -2,-0.4 2,-0.4 -0.951 4.6-140.4-123.1 137.0 -38.9 4.0 7.7 51 53 A E E +B 36 0A 91 -2,-0.4 19,-2.6 -15,-0.2 20,-1.5 -0.747 22.8 171.5 -96.3 138.7 -38.2 7.5 6.6 52 54 A L E -BC 35 69A 1 -17,-3.0 -17,-3.0 -2,-0.4 2,-0.4 -0.966 19.7-148.5-136.9 152.6 -39.3 10.6 8.6 53 55 A E E -BC 34 68A 44 15,-2.2 15,-2.3 -2,-0.3 2,-0.4 -0.957 15.7-169.5-119.8 147.4 -38.7 14.3 8.3 54 56 A L E -BC 33 67A 2 -21,-2.2 -21,-3.3 -2,-0.4 2,-0.4 -0.996 4.9-166.6-139.0 138.7 -38.6 16.6 11.4 55 57 A Y E -BC 32 66A 83 11,-3.0 11,-2.8 -2,-0.4 -23,-0.2 -0.991 15.1-143.6-132.3 131.5 -38.5 20.4 11.7 56 58 A L - 0 0 0 -25,-2.7 8,-0.1 -2,-0.4 -25,-0.0 -0.813 25.8-143.8 -93.0 108.8 -37.7 22.5 14.7 57 59 A P > - 0 0 9 0, 0.0 3,-1.2 0, 0.0 6,-0.1 -0.053 27.3 -99.2 -65.7 172.7 -39.9 25.6 14.7 58 60 A D T 3 S+ 0 0 129 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.830 121.3 53.9 -63.7 -33.9 -38.7 29.1 15.8 59 61 A D T > S+ 0 0 103 5,-0.1 3,-2.1 2,-0.1 4,-0.4 0.472 88.9 162.0 -82.8 -3.5 -40.4 28.8 19.2 60 62 A Y T < + 0 0 6 -3,-1.2 -54,-0.1 1,-0.3 4,-0.1 -0.360 58.3 29.2 -55.6 134.8 -38.6 25.4 20.0 61 63 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.973 124.9 51.0 -90.8 4.6 -38.3 24.2 22.8 62 64 A M S < S+ 0 0 129 -3,-2.1 2,-0.4 33,-0.1 -2,-0.3 0.770 114.4 51.7 -67.2 -26.5 -41.6 25.9 23.8 63 65 A E S S- 0 0 76 -4,-0.4 31,-0.1 -6,-0.1 26,-0.0 -0.896 95.5-107.3-116.5 143.4 -43.2 24.5 20.7 64 66 A A - 0 0 16 -2,-0.4 -5,-0.1 25,-0.2 -4,-0.1 -0.273 38.5-101.1 -65.0 147.9 -43.2 20.9 19.6 65 67 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.413 35.2-120.2 -62.0 145.4 -41.1 19.7 16.6 66 68 A K E -C 55 0A 125 -11,-2.8 -11,-3.0 -2,-0.1 2,-0.3 -0.810 37.3-174.2 -88.9 132.0 -43.1 19.2 13.4 67 69 A V E -C 54 0A 29 -2,-0.5 2,-0.4 -13,-0.2 17,-0.3 -0.956 15.2-174.1-131.3 145.0 -42.9 15.7 12.1 68 70 A R E -C 53 0A 112 -15,-2.3 -15,-2.2 -2,-0.3 2,-0.5 -0.975 22.5-135.7-141.6 125.7 -44.0 13.8 9.0 69 71 A F E -C 52 0A 6 13,-2.8 -17,-0.2 -2,-0.4 4,-0.1 -0.709 23.2-178.2 -78.7 123.0 -43.9 10.1 8.3 70 72 A L + 0 0 77 -19,-2.6 2,-0.2 -2,-0.5 -18,-0.2 0.802 53.3 81.3 -98.5 -36.1 -42.6 9.7 4.7 71 73 A T S S- 0 0 23 -20,-1.5 2,-0.3 1,-0.1 72,-0.1 -0.518 89.8-107.5 -70.9 139.4 -42.6 6.0 4.1 72 74 A K + 0 0 104 70,-0.2 2,-0.3 -2,-0.2 70,-0.1 -0.537 52.8 170.9 -68.6 131.5 -45.9 4.4 3.2 73 75 A I - 0 0 19 -2,-0.3 2,-0.8 6,-0.2 9,-0.1 -1.000 41.1-132.0-151.9 141.1 -47.2 2.4 6.2 74 76 A Y + 0 0 26 -2,-0.3 5,-0.1 61,-0.2 65,-0.1 -0.858 54.3 134.9 -95.8 105.1 -50.2 0.5 7.5 75 77 A H B > -E 78 0C 2 -2,-0.8 3,-1.2 3,-0.5 46,-0.1 -0.964 57.5-133.8-156.0 132.4 -50.6 1.8 11.1 76 78 A P T 3 S+ 0 0 8 0, 0.0 45,-0.3 0, 0.0 44,-0.1 0.538 107.7 45.2 -65.6 -9.3 -53.6 3.0 13.2 77 79 A A T 3 S+ 0 0 12 1,-0.1 8,-2.7 32,-0.1 2,-0.5 0.384 103.2 67.5-116.0 0.4 -51.8 6.1 14.4 78 80 A I B < S-EF 75 84C 6 -3,-1.2 -3,-0.5 6,-0.2 6,-0.2 -0.973 73.4-152.7-124.5 114.9 -50.2 7.3 11.1 79 81 A D > - 0 0 68 4,-1.7 3,-0.8 -2,-0.5 -6,-0.2 -0.021 35.6 -90.7 -78.1-176.8 -52.7 8.5 8.5 80 82 A R T 3 S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.1 -7,-0.0 0.799 127.1 55.5 -63.5 -30.9 -52.4 8.6 4.7 81 83 A L T 3 S- 0 0 133 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.655 117.5-112.3 -76.0 -20.1 -50.8 12.1 4.9 82 84 A G < + 0 0 5 -3,-0.8 -13,-2.8 1,-0.3 2,-0.1 0.479 65.5 149.2 95.9 4.4 -48.1 10.9 7.3 83 85 A R - 0 0 48 -15,-0.2 -4,-1.7 1,-0.0 2,-0.4 -0.486 39.7-138.1 -66.7 141.8 -49.4 12.8 10.3 84 86 A I B -F 78 0C 21 -17,-0.3 2,-1.2 -6,-0.2 -6,-0.2 -0.882 3.7-134.5-111.4 134.9 -48.6 11.0 13.5 85 87 A S + 0 0 78 -8,-2.7 2,-0.4 -2,-0.4 3,-0.1 -0.707 50.2 138.9 -92.2 88.2 -51.0 10.6 16.4 86 88 A L > - 0 0 26 -2,-1.2 3,-1.2 1,-0.1 4,-0.3 -0.996 45.8-154.4-132.3 127.3 -48.9 11.4 19.5 87 89 A D G > >S+ 0 0 97 -2,-0.4 5,-1.7 1,-0.3 3,-1.4 0.811 96.4 69.2 -68.4 -29.8 -50.1 13.5 22.4 88 90 A V G 3 5S+ 0 0 19 1,-0.3 -1,-0.3 4,-0.2 6,-0.1 0.705 103.5 45.4 -57.9 -21.8 -46.4 14.3 23.1 89 91 A L G < 5S+ 0 0 38 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.509 125.0 31.9 -95.7 -9.3 -46.7 16.4 19.9 90 92 A K T < 5S- 0 0 70 -3,-1.4 3,-0.3 -4,-0.3 -26,-0.2 0.653 134.4 -13.6-110.0 -94.9 -50.0 17.9 20.9 91 93 A T T 5S+ 0 0 112 1,-0.2 -3,-0.2 -4,-0.1 -4,-0.1 0.856 125.5 62.8 -85.1 -39.5 -51.0 18.7 24.5 92 94 A N S - 0 0 45 -6,-0.1 3,-2.4 -2,-0.1 -32,-0.1 -0.979 52.5-109.4-146.3 156.8 -43.2 20.7 27.3 95 97 A P T 3 S+ 0 0 57 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.508 113.4 71.3 -64.2 -3.1 -39.7 22.2 27.0 96 98 A A T 3 S+ 0 0 80 2,-0.1 2,-0.1 -35,-0.0 -3,-0.0 0.684 87.8 78.0 -81.7 -22.1 -38.4 19.4 29.2 97 99 A L < - 0 0 43 -3,-2.4 2,-0.2 -36,-0.2 3,-0.0 -0.481 67.9-161.9 -85.5 160.0 -38.9 17.0 26.4 98 100 A Q > - 0 0 66 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.689 38.4 -91.3-131.5-178.1 -36.5 16.6 23.5 99 101 A I H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 125.4 58.2 -60.7 -47.8 -36.1 15.3 19.9 100 102 A R H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.865 103.7 52.6 -45.3 -44.5 -34.9 12.0 21.5 101 103 A T H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 109.7 47.3 -61.6 -49.5 -38.3 11.8 23.3 102 104 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.911 114.7 46.7 -58.3 -46.2 -40.2 12.2 20.1 103 105 A L H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.931 111.2 49.9 -66.1 -46.9 -38.1 9.6 18.3 104 106 A L H X S+ 0 0 68 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.865 111.4 52.0 -57.8 -36.6 -38.3 7.1 21.1 105 107 A S H X S+ 0 0 32 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.897 110.1 46.2 -65.9 -42.8 -42.1 7.6 21.1 106 108 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.904 112.5 51.0 -67.6 -41.5 -42.4 7.0 17.4 107 109 A Q H X S+ 0 0 43 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.910 110.7 49.4 -57.6 -43.6 -40.2 3.9 17.7 108 110 A A H X S+ 0 0 52 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.846 105.7 57.8 -63.8 -36.4 -42.5 2.7 20.5 109 111 A L H < S+ 0 0 32 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.866 108.3 45.3 -60.9 -40.6 -45.5 3.4 18.3 110 112 A L H < S+ 0 0 0 -4,-1.7 -65,-0.2 1,-0.2 -2,-0.2 0.868 112.1 53.0 -70.5 -37.6 -44.1 1.0 15.7 111 113 A A H < S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.899 122.3 27.5 -61.8 -42.9 -43.3 -1.6 18.4 112 114 A S S < S- 0 0 85 -4,-2.4 2,-0.9 -5,-0.1 -1,-0.3 -0.719 71.9-167.6-128.8 79.2 -46.9 -1.5 19.9 113 115 A P + 0 0 24 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.567 22.9 170.8 -68.5 104.3 -49.5 -0.6 17.3 114 116 A N - 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