==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-DEC-04 1Y6L . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2E2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,G.V.AVVAKUMOV,E.M.NEWMAN,F.MACKENZIE,I.KOZIERADZK . 444 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 64.9 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 . 73 16.4 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 . 3 0.7 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 . 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 . 20 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 0 0 0 0 3 0 0 0 3 0 6 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 . 8 0 0 3 3 0 3 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 2 0 3 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 0 A S > 0 0 105 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 166.5 25.8 51.3 24.8 2 1 A T H > + 0 0 87 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.906 360.0 47.4 -50.1 -39.7 25.8 47.9 23.1 3 2 A S H > S+ 0 0 4 56,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.944 111.1 43.5 -75.2 -51.5 28.5 46.9 25.6 4 3 A A H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 114.9 51.3 -64.4 -41.6 27.2 48.1 29.0 5 4 A K H X S+ 0 0 104 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.906 111.1 47.9 -58.9 -43.9 23.7 46.8 28.2 6 5 A R H X S+ 0 0 39 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.933 113.5 47.9 -62.4 -48.3 25.1 43.4 27.3 7 6 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.909 111.1 50.1 -58.0 -45.4 27.2 43.3 30.5 8 7 A Q H X S+ 0 0 110 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.925 111.9 48.9 -61.3 -43.4 24.3 44.3 32.6 9 8 A K H X S+ 0 0 139 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.910 112.6 47.0 -59.2 -45.8 22.2 41.5 31.0 10 9 A E H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.808 109.5 55.3 -68.9 -29.5 24.9 38.9 31.5 11 10 A L H X S+ 0 0 25 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 108.4 46.7 -68.4 -42.4 25.3 40.1 35.1 12 11 A A H X S+ 0 0 62 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.938 114.1 50.7 -63.9 -42.4 21.6 39.5 35.8 13 12 A E H X S+ 0 0 81 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 112.7 42.6 -60.2 -48.6 21.9 36.1 34.1 14 13 A I H < S+ 0 0 2 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.832 111.5 54.3 -74.0 -30.4 24.9 34.9 36.1 15 14 A T H < S+ 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.927 114.1 42.7 -66.3 -44.9 23.6 36.2 39.4 16 15 A L H < S+ 0 0 134 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.901 134.1 17.8 -67.1 -45.1 20.3 34.2 38.9 17 16 A D S < S- 0 0 114 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.646 80.7-175.6-132.6 75.0 22.1 31.1 37.6 18 17 A P - 0 0 71 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.332 34.8-100.6 -68.6 156.7 25.8 31.0 38.5 19 18 A P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 83,-0.0 -0.397 53.6 -83.7 -71.9 153.3 28.0 28.2 37.2 20 19 A P T 3 S+ 0 0 90 0, 0.0 19,-0.1 0, 0.0 3,-0.1 -0.307 113.5 6.3 -54.1 136.0 28.7 25.5 39.8 21 20 A N T 3 S+ 0 0 68 1,-0.1 18,-3.1 17,-0.1 2,-0.3 0.684 116.6 97.1 64.8 22.4 31.6 26.4 42.1 22 21 A C E < +A 38 0A 14 -3,-1.5 2,-0.3 16,-0.2 16,-0.2 -0.998 43.9 178.4-145.0 139.1 31.9 29.9 40.7 23 22 A S E +A 37 0A 66 14,-2.3 14,-2.2 -2,-0.3 2,-0.3 -0.984 10.3 172.5-135.7 159.5 30.7 33.5 41.3 24 23 A A E +A 36 0A 16 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.987 10.5 130.7-162.0 144.3 31.4 36.6 39.4 25 24 A G E -A 35 0A 18 10,-2.1 10,-2.6 -2,-0.3 30,-0.1 -0.971 55.3 -47.0-179.4 174.8 30.4 40.3 39.3 26 25 A P E -A 34 0A 44 0, 0.0 8,-0.3 0, 0.0 5,-0.1 -0.190 33.6-143.0 -57.9 144.4 31.6 43.9 39.1 27 26 A K S S- 0 0 109 6,-2.6 2,-0.2 3,-0.4 7,-0.1 0.729 78.5 -34.3 -74.3 -25.1 34.4 45.1 41.5 28 27 A G S S- 0 0 43 5,-0.5 5,-0.1 2,-0.4 -1,-0.0 -0.817 98.8 -40.2-169.9-157.5 32.6 48.4 41.8 29 28 A D S S+ 0 0 173 -2,-0.2 2,-1.1 1,-0.1 3,-0.0 0.730 108.0 89.9 -64.8 -24.5 30.5 51.0 39.9 30 29 A N > - 0 0 92 1,-0.2 3,-1.6 3,-0.1 -2,-0.4 -0.650 65.5-163.7 -76.7 102.9 32.6 50.4 36.7 31 30 A I T 3 S+ 0 0 37 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.629 78.7 69.1 -67.2 -9.6 30.7 47.6 35.1 32 31 A Y T 3 S+ 0 0 48 1,-0.1 25,-2.6 24,-0.1 2,-0.6 0.616 89.7 68.2 -83.7 -9.1 33.5 46.6 32.8 33 32 A E E < + B 0 56A 65 -3,-1.6 -6,-2.6 23,-0.2 -5,-0.5 -0.916 65.0 168.6-120.2 107.5 35.8 45.3 35.6 34 33 A W E -AB 26 55A 0 21,-2.8 21,-2.5 -2,-0.6 2,-0.3 -0.704 21.5-151.1-111.5 163.9 34.7 42.1 37.3 35 34 A R E -AB 25 54A 92 -10,-2.6 -10,-2.1 -2,-0.2 2,-0.3 -0.949 12.2-160.9-126.1 155.4 36.2 39.7 39.6 36 35 A S E -AB 24 53A 1 17,-2.2 17,-2.3 -2,-0.3 2,-0.5 -0.983 10.4-151.7-135.3 149.3 35.4 36.0 40.0 37 36 A T E -AB 23 52A 43 -14,-2.2 -14,-2.3 -2,-0.3 2,-0.4 -0.988 16.7-173.8-116.6 126.4 35.9 33.4 42.6 38 37 A I E -AB 22 51A 0 13,-3.1 13,-3.2 -2,-0.5 2,-0.4 -0.984 14.4-145.2-120.0 132.0 36.3 29.8 41.4 39 38 A L E - B 0 50A 75 -18,-3.1 11,-0.2 -2,-0.4 8,-0.1 -0.777 35.1-100.6 -91.8 137.8 36.5 26.8 43.8 40 39 A G - 0 0 3 9,-2.2 8,-0.6 6,-0.5 3,-0.1 -0.358 53.9 -96.1 -54.8 128.9 38.7 24.0 42.7 41 40 A P > - 0 0 9 0, 0.0 3,-2.3 0, 0.0 5,-0.3 -0.238 42.3-105.9 -54.9 131.4 36.3 21.4 41.3 42 41 A P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.398 109.5 24.9 -55.3 132.3 35.4 18.7 43.9 43 42 A G T 3 S+ 0 0 72 1,-0.4 2,-0.2 -3,-0.1 -3,-0.0 0.264 104.6 107.7 92.3 -13.6 37.2 15.5 43.1 44 43 A S S X S- 0 0 19 -3,-2.3 3,-1.7 1,-0.1 -1,-0.4 -0.502 87.5-106.4 -91.8 167.1 39.9 17.4 41.2 45 44 A V T 3 S+ 0 0 19 1,-0.3 98,-0.2 66,-0.2 -1,-0.1 0.609 121.7 55.9 -60.0 -15.2 43.5 18.1 42.2 46 45 A Y T > S+ 0 0 6 -5,-0.3 3,-2.3 65,-0.2 -6,-0.5 0.306 76.5 134.9-100.8 2.3 42.4 21.7 42.9 47 46 A E T < S+ 0 0 112 -3,-1.7 3,-0.1 -6,-0.3 96,-0.0 -0.274 70.3 24.4 -58.3 139.6 39.7 20.7 45.3 48 47 A G T 3 S+ 0 0 60 -8,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.199 97.6 119.2 87.3 -15.7 39.8 22.9 48.5 49 48 A G < - 0 0 1 -3,-2.3 -9,-2.2 -8,-0.1 2,-0.5 -0.522 52.8-152.6 -81.5 149.4 41.5 25.7 46.6 50 49 A V E -B 39 0A 58 97,-2.6 2,-0.4 93,-0.2 -11,-0.2 -0.982 17.6-167.0-124.0 115.3 39.9 29.1 46.2 51 50 A F E -B 38 0A 1 -13,-3.2 -13,-3.1 -2,-0.5 2,-0.4 -0.902 8.8-150.1-112.4 137.3 41.0 30.9 43.0 52 51 A F E -B 37 0A 68 -2,-0.4 19,-3.1 -15,-0.2 20,-1.5 -0.849 13.3-171.9-105.6 138.2 40.5 34.5 42.1 53 52 A L E -BC 36 70A 0 -17,-2.3 -17,-2.2 -2,-0.4 2,-0.4 -0.943 16.4-140.2-126.6 145.3 40.2 35.8 38.5 54 53 A D E -BC 35 69A 19 15,-2.6 15,-2.2 -2,-0.3 2,-0.4 -0.889 18.1-166.3-101.7 139.7 40.1 39.3 37.0 55 54 A I E -BC 34 68A 0 -21,-2.5 -21,-2.8 -2,-0.4 2,-0.4 -0.996 5.9-175.7-128.9 127.5 37.7 39.9 34.1 56 55 A T E -BC 33 67A 44 11,-2.1 11,-2.9 -2,-0.4 2,-0.4 -0.996 10.2-156.2-127.4 120.9 37.8 43.1 31.9 57 56 A F - 0 0 4 -25,-2.6 -2,-0.0 -2,-0.4 -54,-0.0 -0.807 19.0-123.0 -93.3 142.0 35.2 43.6 29.3 58 57 A S > - 0 0 22 -2,-0.4 3,-1.6 6,-0.3 6,-0.1 -0.357 18.6-119.0 -73.2 154.3 36.0 45.8 26.2 59 58 A P T 3 S+ 0 0 99 0, 0.0 -56,-0.4 0, 0.0 -55,-0.1 0.801 120.8 56.4 -63.0 -20.9 34.0 48.9 25.3 60 59 A D T > S+ 0 0 84 -57,-0.1 3,-2.5 -58,-0.1 4,-0.2 0.229 90.9 164.9 -91.8 10.9 33.4 46.8 22.1 61 60 A Y T < + 0 0 1 -3,-1.6 -55,-0.2 1,-0.3 -54,-0.1 -0.480 55.3 34.5 -57.7 139.5 32.0 43.8 24.0 62 61 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.922 116.8 58.5 -92.4 18.3 30.4 41.4 22.8 63 62 A F S < S+ 0 0 136 -3,-2.5 -2,-0.2 33,-0.1 31,-0.0 0.586 108.1 47.5 -86.4 -8.2 32.6 41.6 19.7 64 63 A K S S- 0 0 104 -4,-0.2 -6,-0.3 -6,-0.1 3,-0.1 -0.994 94.7-113.0-128.7 137.1 35.8 41.1 21.6 65 64 A P - 0 0 40 0, 0.0 -7,-0.1 0, 0.0 25,-0.1 -0.257 39.0 -98.6 -66.0 155.4 36.2 38.3 24.2 66 65 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.433 34.0-118.1 -66.1 149.6 36.6 39.4 27.9 67 66 A K E -C 56 0A 132 -11,-2.9 -11,-2.1 -3,-0.1 2,-0.4 -0.854 40.3-178.5 -87.3 121.8 40.1 39.4 29.1 68 67 A V E +C 55 0A 7 -2,-0.6 17,-0.6 -13,-0.2 2,-0.4 -0.988 5.5 169.9-130.1 124.9 40.2 36.8 31.9 69 68 A T E -CD 54 84A 23 -15,-2.2 -15,-2.6 -2,-0.4 2,-0.5 -0.987 34.5-116.4-136.9 141.9 43.3 36.0 34.0 70 69 A F E -C 53 0A 8 13,-1.9 -17,-0.3 -2,-0.4 4,-0.1 -0.684 19.7-174.7 -66.5 126.1 44.0 34.0 37.1 71 70 A R S S+ 0 0 159 -19,-3.1 2,-0.3 -2,-0.5 -18,-0.2 0.821 70.9 76.5 -81.5 -39.7 45.3 36.2 40.0 72 71 A T S S- 0 0 17 -20,-1.5 2,-0.1 -3,-0.1 75,-0.1 -0.567 93.3-115.3 -77.2 128.2 45.8 33.0 42.1 73 72 A R + 0 0 64 -2,-0.3 2,-0.3 73,-0.2 73,-0.1 -0.423 42.1 179.9 -64.2 133.8 48.9 31.0 41.1 74 73 A I - 0 0 4 6,-0.2 2,-0.8 -2,-0.1 9,-0.1 -0.987 33.2-128.9-141.4 149.2 47.9 27.6 39.8 75 74 A Y + 0 0 18 -2,-0.3 2,-0.3 64,-0.2 5,-0.1 -0.877 58.6 128.8-100.8 102.2 49.8 24.5 38.5 76 75 A H B > -E 79 0B 2 -2,-0.8 3,-1.5 3,-0.6 49,-0.1 -0.959 61.4-132.0-160.8 131.1 48.0 23.8 35.2 77 76 A C T 3 S+ 0 0 0 -2,-0.3 43,-3.2 1,-0.2 44,-3.0 0.673 109.0 47.5 -61.2 -20.9 49.3 23.2 31.6 78 77 A N T 3 S+ 0 0 0 41,-0.2 8,-2.9 42,-0.2 2,-0.4 0.269 106.3 64.1-103.0 8.0 46.7 25.7 30.2 79 78 A I B < S-EF 76 85B 2 -3,-1.5 -3,-0.6 6,-0.2 6,-0.2 -0.966 71.5-155.7-137.9 120.1 47.4 28.5 32.7 80 79 A N > - 0 0 37 4,-1.9 3,-2.2 -2,-0.4 -6,-0.2 -0.175 36.4 -90.3 -97.9-175.9 50.8 30.3 33.0 81 80 A S T 3 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.633 126.3 54.4 -71.5 -10.7 52.6 32.2 35.7 82 81 A Q T 3 S- 0 0 154 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.312 120.5-109.6 -98.7 8.1 51.0 35.4 34.6 83 82 A G < + 0 0 4 -3,-2.2 -13,-1.9 1,-0.3 2,-0.3 0.599 63.9 157.6 71.6 15.4 47.6 33.9 34.9 84 83 A V B -D 69 0A 59 -15,-0.2 -4,-1.9 1,-0.0 2,-0.6 -0.540 32.6-143.5 -69.4 134.4 47.1 33.8 31.2 85 84 A I B -F 79 0B 11 -17,-0.6 2,-1.1 -2,-0.3 -6,-0.2 -0.909 3.8-147.7-107.7 120.9 44.5 31.2 30.2 86 85 A C + 0 0 11 -8,-2.9 2,-0.4 -2,-0.6 29,-0.1 -0.728 44.4 141.9 -82.9 96.9 44.9 29.2 27.0 87 86 A L > - 0 0 5 -2,-1.1 3,-1.9 1,-0.1 4,-0.4 -0.975 51.9-137.6-145.2 122.2 41.3 28.7 26.0 88 87 A D G > >S+ 0 0 66 -2,-0.4 3,-2.3 1,-0.3 5,-2.1 0.891 103.2 55.8 -46.1 -49.3 40.0 28.7 22.4 89 88 A I G 3 5S+ 0 0 24 1,-0.3 -1,-0.3 4,-0.2 6,-0.2 0.633 102.3 56.9 -69.5 -9.8 36.9 30.8 23.3 90 89 A L G < 5S+ 0 0 25 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.454 123.8 15.9 -92.6 -4.0 39.0 33.5 24.9 91 90 A K T X 5S- 0 0 92 -3,-2.3 3,-1.1 -4,-0.4 -3,-0.1 0.217 133.4 -2.9-132.3-103.0 40.9 34.0 21.6 92 91 A D T 3 5S+ 0 0 162 1,-0.2 -3,-0.2 3,-0.0 -4,-0.1 0.696 127.1 54.7 -78.9 -17.8 40.1 32.8 18.0 93 92 A N T 3 - 0 0 48 -6,-0.2 3,-1.8 -2,-0.1 -31,-0.1 -0.983 44.5-115.0-144.0 157.5 31.8 34.9 19.3 96 95 A P T 3 S+ 0 0 52 0, 0.0 -33,-0.1 0, 0.0 -32,-0.0 0.610 110.9 72.6 -66.6 -5.3 29.1 37.4 20.4 97 96 A A T 3 S+ 0 0 69 2,-0.0 2,-0.0 -35,-0.0 -3,-0.0 0.745 87.4 82.8 -72.2 -22.8 26.8 34.4 20.9 98 97 A L < - 0 0 35 -3,-1.8 2,-0.3 -36,-0.2 3,-0.0 -0.303 65.2-158.3 -82.3 166.6 28.9 33.5 24.0 99 98 A T > - 0 0 15 1,-0.1 4,-2.0 -2,-0.0 3,-0.2 -0.886 36.7-101.4-138.6 166.9 28.6 35.1 27.5 100 99 A I H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.865 122.4 58.0 -63.8 -31.4 30.7 35.5 30.6 101 100 A S H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 106.7 46.9 -58.4 -46.3 28.7 32.5 32.1 102 101 A K H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 112.3 50.7 -65.8 -37.9 29.8 30.3 29.2 103 102 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.925 112.5 45.9 -60.6 -50.6 33.4 31.5 29.6 104 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 111.3 51.9 -68.3 -36.5 33.4 30.8 33.3 105 104 A L H X S+ 0 0 85 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.912 109.4 50.8 -60.2 -41.9 31.8 27.4 32.8 106 105 A S H X S+ 0 0 31 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.877 110.0 49.4 -65.2 -35.1 34.5 26.5 30.2 107 106 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.893 110.1 50.4 -70.7 -41.5 37.3 27.6 32.7 108 107 A C H X S+ 0 0 12 -4,-2.3 4,-1.4 2,-0.2 3,-0.3 0.945 110.8 50.2 -55.6 -49.7 35.7 25.5 35.4 109 108 A S H X S+ 0 0 61 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.859 105.7 57.6 -53.0 -40.6 35.7 22.6 32.9 110 109 A L H < S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 103.2 51.5 -63.0 -37.2 39.3 23.3 32.2 111 110 A L H < S+ 0 0 6 -4,-1.8 3,-0.3 -3,-0.3 -1,-0.2 0.845 114.0 45.4 -67.6 -31.8 40.3 22.8 35.8 112 111 A T H < S+ 0 0 75 -4,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.906 132.2 16.8 -75.2 -44.9 38.4 19.5 35.7 113 112 A D S < S- 0 0 103 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.891 79.0-158.3-135.2 104.0 39.9 18.4 32.4 114 113 A C - 0 0 19 -2,-0.4 3,-0.1 -3,-0.3 -3,-0.1 -0.183 19.6-125.5 -72.0 166.3 43.0 20.2 31.2 115 114 A N > + 0 0 74 3,-0.2 3,-1.8 1,-0.1 10,-0.1 -0.719 32.8 170.7-115.3 82.5 44.0 20.2 27.5 116 115 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.758 75.8 62.8 -68.3 -20.4 47.6 18.9 27.4 117 116 A A T 3 S+ 0 0 24 1,-0.3 -2,-0.0 -3,-0.1 5,-0.0 0.608 111.5 38.6 -80.2 -7.5 47.5 18.6 23.6 118 117 A D S < S+ 0 0 74 -3,-1.8 -1,-0.3 -32,-0.1 -3,-0.2 -0.507 92.7 171.1-133.4 65.5 47.0 22.4 23.5 119 118 A P - 0 0 10 0, 0.0 -41,-0.2 0, 0.0 3,-0.2 -0.391 39.1-168.9 -88.7 153.5 49.3 23.6 26.3 120 119 A L S S+ 0 0 66 -43,-3.2 2,-0.6 1,-0.2 -42,-0.2 0.675 97.2 40.2 -96.5 -31.0 50.4 26.9 27.4 121 120 A V S >> S- 0 0 39 -44,-3.0 4,-1.6 1,-0.1 3,-0.7 -0.861 74.5-173.1-117.0 92.9 53.0 25.4 29.7 122 121 A G H 3> S+ 0 0 11 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.809 79.3 60.8 -61.4 -35.8 54.4 22.4 27.7 123 122 A S H 3> S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.904 107.7 45.3 -56.5 -41.0 56.5 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