==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-JUL-03 1Q34 . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-21.5 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR N.SCHORMANN,G.LIN,S.LI,J.SYMERSKY,S.QIU,J.FINLEY,D.LUO, . 447 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 65.3 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 . 69 15.4 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 0 0 0 0 3 1 5 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 . 6 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 0 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 2 A T 0 0 121 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.1 53.0 20.4 114.8 2 3 A T > - 0 0 37 1,-0.1 4,-2.1 0, 0.0 5,-0.3 -0.586 360.0 -97.0-103.3 167.7 55.5 20.3 111.9 3 4 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.929 123.7 53.2 -47.1 -50.4 56.3 22.9 109.3 4 5 A S H > S+ 0 0 0 56,-0.3 4,-2.4 1,-0.2 3,-0.2 0.939 108.0 46.1 -49.3 -63.5 53.9 21.2 106.9 5 6 A R H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 111.4 52.1 -49.9 -51.6 50.8 21.1 109.2 6 7 A R H X S+ 0 0 132 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.894 110.4 48.8 -54.3 -43.4 51.3 24.8 110.3 7 8 A R H X S+ 0 0 60 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.2 0.932 109.6 51.2 -62.6 -48.2 51.4 25.9 106.7 8 9 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.858 108.3 52.2 -59.6 -36.6 48.3 23.9 105.7 9 10 A M H X S+ 0 0 89 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.932 110.7 47.7 -66.0 -41.7 46.4 25.5 108.6 10 11 A R H X S+ 0 0 47 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.927 110.6 52.3 -61.4 -44.3 47.5 28.9 107.3 11 12 A D H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.847 109.6 49.7 -59.3 -36.4 46.4 27.8 103.8 12 13 A F H X S+ 0 0 62 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.898 105.7 56.4 -69.5 -41.8 43.0 26.8 105.3 13 14 A K H X S+ 0 0 120 -4,-2.4 4,-3.6 2,-0.2 -2,-0.2 0.930 110.0 45.6 -55.5 -48.1 42.7 30.2 107.1 14 15 A K H X S+ 0 0 117 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.960 112.4 48.4 -60.3 -53.7 43.1 32.0 103.8 15 16 A L H < S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.934 115.4 47.4 -52.4 -45.7 40.7 29.7 101.9 16 17 A Q H < S+ 0 0 114 -4,-3.3 -2,-0.2 2,-0.1 -1,-0.2 0.970 112.8 50.7 -55.6 -59.3 38.3 30.3 104.9 17 18 A E H < S+ 0 0 116 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.939 132.5 1.7 -41.1 -80.3 38.9 34.1 104.8 18 19 A D S < S- 0 0 146 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.790 80.1-162.9-123.5 87.3 38.3 34.9 101.1 19 20 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.348 23.2-112.4 -68.5 143.1 37.3 31.7 99.2 20 21 A P > - 0 0 36 0, 0.0 3,-1.6 0, 0.0 83,-0.0 -0.454 49.4 -80.7 -74.9 153.6 37.5 31.6 95.4 21 22 A A T 3 S- 0 0 87 1,-0.3 19,-0.1 -2,-0.1 3,-0.1 -0.286 111.5 -1.0 -56.7 132.5 34.2 31.5 93.5 22 23 A G T 3 S+ 0 0 26 1,-0.2 18,-3.3 17,-0.1 2,-0.4 0.747 108.1 112.8 58.4 27.8 32.7 27.9 93.3 23 24 A V E < +A 39 0A 9 -3,-1.6 2,-0.3 16,-0.2 16,-0.2 -0.997 36.3 165.7-135.0 131.5 35.7 26.5 95.2 24 25 A S E +A 38 0A 66 14,-2.7 14,-2.4 -2,-0.4 2,-0.2 -0.944 2.2 158.4-140.3 158.3 35.6 24.9 98.7 25 26 A G E +A 37 0A 10 -2,-0.3 12,-0.2 12,-0.3 77,-0.0 -0.823 10.6 171.3 176.7 143.0 37.9 22.8 100.8 26 27 A A E -A 36 0A 42 10,-2.2 10,-2.3 -2,-0.2 -2,-0.0 -0.986 35.1-106.5-154.8 149.3 38.8 21.6 104.3 27 28 A P E -A 35 0A 36 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.291 41.7-100.4 -74.3 166.0 41.1 19.0 105.7 28 29 A T - 0 0 29 6,-2.9 6,-0.2 3,-0.5 5,-0.1 -0.624 27.2-115.4 -87.9 146.0 39.8 15.8 107.3 29 30 A E S S+ 0 0 186 -2,-0.2 2,-0.4 3,-0.1 3,-0.1 0.905 106.0 60.3 -46.7 -51.4 39.6 15.4 111.1 30 31 A D S S- 0 0 125 1,-0.2 4,-0.2 2,-0.1 -2,-0.2 -0.671 120.1 -5.8 -82.9 129.6 42.2 12.6 111.1 31 32 A N > - 0 0 75 -2,-0.4 3,-1.5 1,-0.2 -3,-0.5 0.876 61.6-137.8 49.9 107.0 45.5 13.9 109.7 32 33 A I T 3 S+ 0 0 29 1,-0.3 -1,-0.2 -5,-0.1 -3,-0.1 0.435 95.6 83.6 -64.7 -5.3 45.5 17.4 108.3 33 34 A L T 3 S+ 0 0 18 1,-0.1 25,-2.7 -6,-0.1 2,-0.4 0.442 85.2 61.9 -82.7 -0.8 47.6 15.9 105.5 34 35 A T E < + B 0 57A 29 -3,-1.5 -6,-2.9 -4,-0.2 2,-0.2 -0.993 67.9 179.7-130.2 126.5 44.5 14.8 103.7 35 36 A W E -AB 27 56A 2 21,-2.2 21,-1.3 -2,-0.4 2,-0.4 -0.737 21.4-145.9-121.9 169.8 41.8 17.1 102.5 36 37 A E E -AB 26 55A 85 -10,-2.3 -10,-2.2 -2,-0.2 2,-0.3 -0.999 25.2-179.8-134.3 128.6 38.5 17.0 100.7 37 38 A A E -AB 25 54A 0 17,-3.0 17,-3.0 -2,-0.4 2,-0.4 -0.856 19.2-143.1-130.3 166.8 37.5 19.8 98.4 38 39 A I E -AB 24 53A 51 -14,-2.4 -14,-2.7 -2,-0.3 2,-0.5 -0.998 10.3-171.9-132.3 129.0 34.6 20.9 96.1 39 40 A I E -AB 23 52A 0 13,-2.3 13,-2.0 -2,-0.4 2,-0.4 -0.986 16.3-144.1-120.3 126.1 34.9 22.6 92.8 40 41 A F E - B 0 51A 108 -18,-3.3 11,-0.2 -2,-0.5 10,-0.1 -0.747 34.6-102.4 -87.8 136.2 31.7 23.9 91.0 41 42 A G - 0 0 7 9,-2.7 8,-0.8 -2,-0.4 4,-0.1 -0.434 49.0-103.2 -60.5 118.0 31.9 23.5 87.3 42 43 A P - 0 0 28 0, 0.0 3,-0.4 0, 0.0 5,-0.2 -0.042 41.7 -99.1 -45.1 138.6 32.6 27.0 86.0 43 44 A Q S S+ 0 0 143 1,-0.2 4,-0.1 5,-0.1 5,-0.0 -0.139 102.7 26.5 -59.4 154.2 29.7 28.9 84.5 44 45 A E S S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.867 103.3 101.2 58.4 40.1 29.1 29.0 80.7 45 46 A T S > S- 0 0 31 -3,-0.4 3,-3.8 -4,-0.1 -1,-0.2 -0.990 88.9-103.8-149.6 152.1 30.9 25.7 80.1 46 47 A P T 3 S+ 0 0 38 0, 0.0 98,-0.2 0, 0.0 -5,-0.1 0.702 122.0 58.7 -51.1 -17.6 29.9 22.1 79.5 47 48 A F T > S+ 0 0 1 -5,-0.2 3,-0.6 2,-0.1 -6,-0.3 0.471 80.0 136.4 -91.2 0.5 30.8 21.4 83.2 48 49 A E T < + 0 0 65 -3,-3.8 2,-1.9 1,-0.2 -5,-0.1 0.002 69.0 8.6 -48.4 147.0 28.3 24.0 84.3 49 50 A D T 3 S+ 0 0 98 -8,-0.8 -1,-0.2 1,-0.2 -2,-0.1 -0.173 92.7 123.5 75.8 -48.3 26.2 23.0 87.3 50 51 A G < - 0 0 0 -2,-1.9 -9,-2.7 -3,-0.6 2,-0.7 -0.130 54.2-143.7 -49.1 141.6 28.0 19.9 88.2 51 52 A T E -B 40 0A 45 93,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.842 18.4-156.0-116.0 96.9 29.3 19.7 91.8 52 53 A F E -B 39 0A 0 -13,-2.0 -13,-2.3 -2,-0.7 2,-0.4 -0.546 7.5-153.3 -86.0 130.3 32.7 18.0 92.0 53 54 A K E +B 38 0A 93 -2,-0.3 19,-3.5 -15,-0.2 20,-1.5 -0.816 22.0 174.2 -98.8 128.5 34.3 16.3 95.0 54 55 A L E -BC 37 71A 0 -17,-3.0 -17,-3.0 -2,-0.4 2,-0.4 -0.900 21.0-145.0-133.4 162.2 38.1 16.0 95.2 55 56 A S E -BC 36 70A 29 15,-2.1 15,-1.9 -2,-0.3 2,-0.5 -0.974 7.6-153.8-127.8 142.0 40.8 14.9 97.6 56 57 A L E -BC 35 69A 0 -21,-1.3 -21,-2.2 -2,-0.4 2,-0.6 -0.973 6.0-158.8-120.2 124.9 44.2 16.4 98.1 57 58 A E E -BC 34 68A 84 11,-2.5 11,-1.7 -2,-0.5 2,-0.3 -0.899 13.2-169.9-107.2 112.0 47.1 14.2 99.4 58 59 A F - 0 0 6 -25,-2.7 2,-0.2 -2,-0.6 -25,-0.1 -0.671 10.7-146.7-102.4 156.6 49.9 16.1 101.0 59 60 A T > - 0 0 48 6,-0.3 3,-1.2 -2,-0.3 6,-0.1 -0.576 36.2-105.1-108.5 171.6 53.4 14.9 102.2 60 61 A E T 3 S+ 0 0 88 1,-0.2 -56,-0.3 -2,-0.2 -55,-0.1 0.422 116.3 73.8 -79.6 5.4 55.3 16.2 105.1 61 62 A E T >> S+ 0 0 103 5,-0.1 3,-1.7 2,-0.1 4,-0.9 0.423 79.3 158.7 -93.9 -4.6 57.4 17.9 102.4 62 63 A Y T <4 + 0 0 4 -3,-1.2 -55,-0.1 1,-0.3 -54,-0.1 -0.380 57.5 21.9 -60.8 144.8 54.7 20.5 101.7 63 64 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 36,-0.1 -0.977 123.1 57.0 -89.6 6.8 55.1 23.1 100.5 64 65 A N T <4 S+ 0 0 120 -3,-1.7 -2,-0.2 1,-0.1 34,-0.1 0.891 115.7 35.7 -63.1 -39.6 58.3 22.0 98.9 65 66 A K S < S- 0 0 95 -4,-0.9 -6,-0.3 -6,-0.1 -1,-0.1 -0.934 93.1-123.1-112.4 138.2 56.6 19.1 97.1 66 67 A P - 0 0 25 0, 0.0 -5,-0.1 0, 0.0 25,-0.1 -0.290 25.4-109.5 -76.2 164.9 53.0 19.5 95.8 67 68 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.179 29.1-112.9 -81.1-177.5 50.1 17.3 96.8 68 69 A T E -C 57 0A 91 -11,-1.7 -11,-2.5 2,-0.0 2,-0.4 -0.960 31.4-151.8-116.1 137.0 48.5 14.8 94.5 69 70 A V E +C 56 0A 6 -2,-0.4 17,-2.3 17,-0.3 2,-0.3 -0.927 15.1 178.1-119.3 139.6 44.9 15.5 93.5 70 71 A K E -CD 55 85A 89 -15,-1.9 -15,-2.1 -2,-0.4 2,-0.6 -0.954 30.6-121.3-132.3 151.7 42.1 13.2 92.5 71 72 A F E -C 54 0A 9 13,-1.9 -17,-0.3 -2,-0.3 4,-0.1 -0.812 17.5-170.2 -90.7 126.8 38.5 13.6 91.6 72 73 A I S S+ 0 0 97 -19,-3.5 -1,-0.2 -2,-0.6 -18,-0.2 0.925 73.4 70.8 -77.3 -52.5 36.3 11.5 93.9 73 74 A S S S- 0 0 24 -20,-1.5 2,-0.2 1,-0.1 -21,-0.1 -0.037 108.2 -85.5 -56.2 163.4 33.4 12.1 91.7 74 75 A K - 0 0 134 69,-0.1 2,-0.3 2,-0.0 73,-0.2 -0.548 56.5-166.6 -72.2 136.4 33.2 10.4 88.3 75 76 A M - 0 0 22 -2,-0.2 2,-0.4 7,-0.1 9,-0.1 -0.933 26.0-168.8-132.6 153.1 35.1 12.5 85.8 76 77 A F + 0 0 20 -2,-0.3 67,-0.1 64,-0.1 5,-0.1 -0.891 37.2 130.8-139.2 104.4 35.6 12.8 82.0 77 78 A H > - 0 0 3 3,-0.4 3,-3.1 -2,-0.4 49,-0.1 -0.920 62.9-120.0-162.6 133.5 38.4 15.1 80.9 78 79 A P T 3 S+ 0 0 2 0, 0.0 43,-1.9 0, 0.0 44,-1.4 0.652 116.5 43.5 -43.4 -21.6 41.4 15.0 78.5 79 80 A N T 3 S+ 0 0 1 41,-0.3 8,-2.9 42,-0.2 2,-0.4 0.056 96.8 88.8-118.2 25.4 43.7 15.6 81.5 80 81 A V B < -E 86 0B 4 -3,-3.1 -3,-0.4 6,-0.2 6,-0.2 -0.989 65.1-137.8-128.9 131.6 42.2 13.2 84.1 81 82 A Y > - 0 0 117 4,-3.2 3,-2.3 -2,-0.4 -6,-0.1 -0.214 32.3 -95.2 -79.8 170.0 43.1 9.6 84.5 82 83 A A T 3 S+ 0 0 105 1,-0.3 -7,-0.1 39,-0.2 -1,-0.1 0.822 125.4 48.6 -53.2 -37.7 40.9 6.5 85.1 83 84 A D T 3 S- 0 0 91 2,-0.1 -1,-0.3 -9,-0.1 -2,-0.0 0.286 126.6 -98.9 -90.3 13.6 41.4 6.7 88.9 84 85 A G S < S+ 0 0 7 -3,-2.3 -13,-1.9 1,-0.3 2,-0.2 0.456 70.4 156.2 86.8 1.2 40.5 10.4 88.9 85 86 A S B -D 70 0A 31 -15,-0.2 -4,-3.2 -5,-0.1 2,-0.4 -0.416 36.5-135.0 -64.4 130.7 44.1 11.6 89.0 86 87 A I B -E 80 0B 15 -17,-2.3 2,-0.9 -6,-0.2 -17,-0.3 -0.745 6.0-151.3 -94.7 130.9 44.6 15.0 87.6 87 88 A C + 0 0 26 -8,-2.9 2,-0.4 -2,-0.4 34,-0.1 -0.857 33.1 170.6 -98.8 102.3 47.4 15.8 85.2 88 89 A L >> - 0 0 16 -2,-0.9 3,-1.2 1,-0.2 4,-1.0 -0.963 42.3-134.2-130.8 136.8 48.2 19.5 85.8 89 90 A D G >4>S+ 0 0 85 -2,-0.4 5,-2.0 1,-0.3 3,-1.4 0.888 108.6 37.1 -35.3 -71.2 50.8 22.0 84.9 90 91 A I G 345S+ 0 0 19 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.635 109.3 65.4 -66.5 -13.2 51.4 23.6 88.3 91 92 A L G <45S+ 0 0 15 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.663 119.3 9.8 -84.9 -15.4 51.0 20.2 90.0 92 93 A Q T X<5S+ 0 0 105 -3,-1.4 3,-1.3 -4,-1.0 -3,-0.1 0.010 133.3 10.0-126.1-126.0 54.1 18.8 88.4 93 94 A N T 3 5S+ 0 0 148 1,-0.3 -3,-0.2 -2,-0.1 2,-0.1 0.684 129.5 47.0 -30.9 -39.0 56.8 20.4 86.3 94 95 A R T 3 - 0 0 29 -6,-0.2 3,-1.5 -2,-0.2 -2,-0.0 -1.000 24.6-141.6-133.5 133.0 55.8 26.8 93.3 97 98 A P T 3 S+ 0 0 61 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.642 106.5 66.0 -61.7 -15.8 56.2 26.5 97.1 98 99 A T T 3 S+ 0 0 110 -34,-0.1 -34,-0.0 2,-0.1 -3,-0.0 0.786 81.1 94.4 -75.6 -35.1 54.4 29.8 96.9 99 100 A Y < - 0 0 92 -3,-1.5 2,-0.3 -36,-0.1 -4,-0.0 -0.244 59.7-161.6 -62.6 150.6 51.2 28.3 95.6 100 101 A D >> - 0 0 26 -89,-0.0 4,-2.6 1,-0.0 3,-0.6 -0.843 36.3 -91.1-130.1 167.6 48.5 27.3 98.1 101 102 A V H 3> S+ 0 0 0 -2,-0.3 4,-3.4 1,-0.3 5,-0.2 0.844 125.4 53.9 -45.2 -44.2 45.4 25.1 98.2 102 103 A A H 3> S+ 0 0 14 2,-0.2 4,-2.7 -91,-0.2 -1,-0.3 0.938 111.7 46.3 -57.7 -46.6 43.1 27.9 97.0 103 104 A A H <> S+ 0 0 31 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.960 113.3 46.9 -59.3 -56.4 45.5 28.4 94.0 104 105 A I H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.930 114.7 49.3 -50.0 -50.7 45.7 24.6 93.3 105 106 A L H X S+ 0 0 0 -4,-3.4 4,-1.5 -5,-0.2 -1,-0.2 0.857 109.5 50.9 -57.5 -43.1 41.9 24.4 93.6 106 107 A T H X S+ 0 0 49 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.929 108.1 52.7 -63.6 -45.5 41.3 27.4 91.3 107 108 A S H X S+ 0 0 40 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.902 107.2 50.0 -58.0 -47.2 43.6 26.0 88.6 108 109 A I H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.879 106.9 57.6 -59.3 -38.2 41.8 22.6 88.4 109 110 A Q H X S+ 0 0 27 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.923 110.9 42.3 -57.8 -44.5 38.5 24.5 88.1 110 111 A S H X S+ 0 0 63 -4,-1.7 4,-2.6 1,-0.2 3,-0.3 0.884 104.9 61.5 -71.1 -40.9 39.9 26.3 85.0 111 112 A L H < S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 97.4 63.5 -53.0 -37.2 41.5 23.1 83.5 112 113 A L H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.959 110.3 36.6 -47.5 -57.6 37.9 21.9 83.4 113 114 A D H < S+ 0 0 44 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.816 130.2 30.7 -66.9 -37.1 37.0 24.7 81.0 114 115 A E S < S- 0 0 67 -4,-2.6 -1,-0.2 2,-0.0 -2,-0.2 -0.580 73.5-167.7-129.1 75.4 40.3 24.6 79.1 115 116 A P - 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