==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-MAR-05 1Z3D . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR J.A.GAVIRA,E.DIGIAMMARINO,W.TEMPEL,D.TOH,Z.J.LIU,B.C.WANG, . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 64.2 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 . 25 16.6 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 . 1 0.7 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 . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 1 0 0 0 0 2 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 . 2 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 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 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 0 157 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.1 55.7 55.1 3.0 2 3 A T > - 0 0 44 1,-0.1 4,-2.0 4,-0.0 3,-0.4 -0.308 360.0-110.7 -69.6 152.1 59.4 55.4 3.8 3 4 A P H > S+ 0 0 104 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.838 117.6 54.8 -51.0 -38.3 62.1 55.0 1.0 4 5 A S H > S+ 0 0 0 56,-0.3 4,-2.2 1,-0.2 5,-0.1 0.930 109.7 45.3 -63.4 -46.0 63.2 51.7 2.6 5 6 A R H > S+ 0 0 66 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.829 110.4 55.4 -67.1 -32.1 59.8 50.2 2.6 6 7 A R H X S+ 0 0 147 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.881 109.3 45.9 -68.9 -39.8 59.2 51.4 -1.0 7 8 A R H X S+ 0 0 45 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.912 110.2 54.0 -67.5 -44.1 62.4 49.6 -2.2 8 9 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.824 105.6 53.9 -61.4 -30.9 61.4 46.5 -0.3 9 10 A M H X S+ 0 0 104 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.902 110.1 46.5 -70.0 -39.8 58.1 46.5 -2.1 10 11 A R H X S+ 0 0 148 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.877 108.2 57.3 -67.6 -36.2 59.9 46.6 -5.4 11 12 A D H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.894 109.1 45.6 -60.0 -40.3 62.2 43.9 -4.2 12 13 A F H X S+ 0 0 69 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.917 109.6 53.7 -69.1 -44.3 59.2 41.7 -3.6 13 14 A K H X S+ 0 0 124 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.929 113.0 43.8 -56.1 -48.1 57.6 42.5 -6.9 14 15 A K H X S+ 0 0 93 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.888 111.2 53.6 -65.7 -40.0 60.8 41.5 -8.7 15 16 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.831 113.5 44.2 -65.4 -31.6 61.3 38.3 -6.6 16 17 A Q H < S+ 0 0 95 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.871 110.0 51.9 -80.9 -40.8 57.8 37.2 -7.5 17 18 A E H < S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.907 132.8 10.5 -62.1 -42.7 57.8 38.0 -11.3 18 19 A D S < S- 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.624 80.7-174.3-140.9 76.6 61.0 36.0 -11.8 19 20 A P - 0 0 64 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.556 28.2-116.5 -78.9 133.0 62.0 34.0 -8.8 20 21 A P > - 0 0 36 0, 0.0 3,-1.5 0, 0.0 83,-0.0 -0.253 47.3 -83.7 -61.0 153.6 65.4 32.2 -8.8 21 22 A A T 3 S+ 0 0 84 1,-0.3 19,-0.1 18,-0.0 3,-0.1 -0.312 113.4 8.4 -61.0 140.8 65.2 28.4 -8.7 22 23 A G T 3 S+ 0 0 24 1,-0.2 18,-2.7 -3,-0.1 2,-0.4 0.756 109.8 109.5 59.9 25.6 64.9 27.0 -5.1 23 24 A V E < +A 39 0A 9 -3,-1.5 2,-0.3 16,-0.2 16,-0.2 -0.987 32.0 145.5-137.4 127.6 64.4 30.5 -3.8 24 25 A S E +A 38 0A 57 14,-1.8 14,-2.9 -2,-0.4 2,-0.3 -0.980 10.0 157.6-152.9 156.8 61.4 32.2 -2.4 25 26 A G E -A 37 0A 8 -2,-0.3 12,-0.2 12,-0.3 77,-0.0 -0.930 12.4-170.7-177.3 154.6 60.6 34.7 0.4 26 27 A A E -A 36 0A 40 10,-2.5 10,-1.8 -2,-0.3 2,-0.1 -0.996 32.9 -98.6-156.0 150.0 58.2 37.3 1.7 27 28 A P E -A 35 0A 36 0, 0.0 8,-0.3 0, 0.0 5,-0.2 -0.394 50.1 -99.8 -67.7 141.6 57.9 40.1 4.3 28 29 A T E > -A 31 0A 39 6,-3.5 3,-1.1 3,-0.7 6,-0.2 -0.360 35.3-116.7 -59.3 144.2 56.1 39.1 7.5 29 30 A E T 3 S+ 0 0 207 1,-0.2 3,-0.2 -3,-0.1 -1,-0.1 0.607 111.7 45.7 -62.4 -13.8 52.6 40.5 7.3 30 31 A D T 3 S+ 0 0 150 1,-0.3 2,-0.2 4,-0.1 -1,-0.2 0.546 122.2 27.3-106.0 -8.7 53.1 42.8 10.3 31 32 A N E X -A 28 0A 51 -3,-1.1 3,-2.0 3,-0.3 -3,-0.7 -0.778 53.0-164.0-158.3 106.1 56.5 44.3 9.3 32 33 A I E 3 S+ 0 0 32 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.760 93.0 67.6 -60.9 -24.0 57.9 44.7 5.8 33 34 A L E 3 S+ 0 0 18 1,-0.1 25,-3.6 -6,-0.1 2,-0.5 0.608 96.9 60.1 -71.9 -12.1 61.3 45.2 7.4 34 35 A T E < S+ B 0 57A 43 -3,-2.0 -6,-3.5 23,-0.2 -3,-0.3 -0.979 70.7 175.8-122.0 120.6 61.3 41.6 8.6 35 36 A W E -AB 27 56A 3 21,-2.6 21,-1.5 -2,-0.5 2,-0.3 -0.655 20.9-147.0-117.2 174.2 61.1 38.8 6.0 36 37 A E E +AB 26 55A 95 -10,-1.8 -10,-2.5 19,-0.2 2,-0.3 -0.986 22.8 179.7-139.8 140.7 61.2 35.1 5.9 37 38 A A E -AB 25 54A 2 17,-2.4 17,-2.8 -2,-0.3 2,-0.4 -0.915 20.5-140.0-142.1 169.5 62.7 33.0 3.1 38 39 A I E -AB 24 53A 26 -14,-2.9 -14,-1.8 -2,-0.3 2,-0.5 -0.999 10.2-170.2-135.5 130.8 63.4 29.5 1.9 39 40 A I E -AB 23 52A 0 13,-1.9 13,-2.2 -2,-0.4 2,-0.3 -0.988 16.5-143.3-120.7 123.5 66.5 28.2 0.1 40 41 A F E - B 0 51A 108 -18,-2.7 11,-0.2 -2,-0.5 3,-0.1 -0.707 35.8 -98.6 -85.2 138.9 66.5 24.7 -1.4 41 42 A G - 0 0 7 9,-1.9 8,-0.6 -2,-0.3 -1,-0.1 -0.338 52.5 -94.5 -55.7 129.2 69.8 22.9 -1.1 42 43 A P > - 0 0 27 0, 0.0 3,-1.5 0, 0.0 5,-0.2 -0.197 43.2-105.3 -51.9 136.7 71.6 23.3 -4.5 43 44 A Q T 3 S+ 0 0 142 1,-0.2 -2,-0.1 5,-0.1 5,-0.0 0.670 105.3 24.5 -27.8 -65.2 71.0 20.3 -6.8 44 45 A E T 3 S+ 0 0 162 4,-0.1 -1,-0.2 3,-0.0 -3,-0.0 -0.125 104.1 97.7-106.9 39.7 74.1 18.1 -7.0 45 46 A T S X S- 0 0 18 -3,-1.5 3,-2.3 -4,-0.1 68,-0.1 -0.714 89.2 -99.8-121.8 169.5 75.6 19.1 -3.6 46 47 A P T 3 S+ 0 0 20 0, 0.0 98,-0.1 0, 0.0 -5,-0.1 0.693 122.2 61.4 -63.1 -14.7 75.6 17.7 -0.1 47 48 A F T > S+ 0 0 1 -5,-0.2 3,-1.9 -7,-0.1 -6,-0.3 0.445 76.9 141.2 -89.2 0.4 72.9 20.1 0.8 48 49 A E T < + 0 0 74 -3,-2.3 -5,-0.1 1,-0.3 -4,-0.1 -0.082 67.4 18.4 -41.8 131.7 70.7 18.5 -1.8 49 50 A D T 3 S+ 0 0 107 -8,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.502 89.5 147.4 79.7 5.5 67.0 18.2 -0.6 50 51 A G < - 0 0 1 -3,-1.9 -9,-1.9 -8,-0.1 2,-0.5 -0.521 35.4-164.5 -78.1 141.2 67.4 20.9 2.0 51 52 A T E -B 40 0A 23 93,-0.4 2,-0.5 -2,-0.2 100,-0.4 -0.750 20.4-172.7-122.1 80.0 64.5 23.1 2.8 52 53 A F E -B 39 0A 0 -13,-2.2 -13,-1.9 -2,-0.5 2,-0.4 -0.647 13.6-150.4 -87.8 123.8 66.2 25.9 4.8 53 54 A K E -B 38 0A 53 -2,-0.5 19,-3.6 -15,-0.2 20,-1.6 -0.724 19.7-173.0 -90.0 134.7 64.2 28.6 6.5 54 55 A L E -BC 37 71A 0 -17,-2.8 -17,-2.4 -2,-0.4 2,-0.4 -0.924 18.2-144.9-128.9 157.3 65.9 32.0 6.8 55 56 A S E -BC 36 70A 24 15,-3.2 15,-2.2 -2,-0.3 2,-0.4 -0.945 12.5-166.3-117.9 136.9 65.1 35.3 8.5 56 57 A L E -BC 35 69A 0 -21,-1.5 -21,-2.6 -2,-0.4 2,-0.6 -0.972 3.3-164.3-127.8 118.6 66.1 38.7 6.9 57 58 A E E -BC 34 68A 78 11,-2.7 11,-1.8 -2,-0.4 2,-0.3 -0.892 6.4-172.1-110.4 119.0 66.0 41.9 8.9 58 59 A F - 0 0 11 -25,-3.6 2,-0.2 -2,-0.6 -25,-0.0 -0.718 8.5-151.3-104.2 153.7 66.1 45.3 7.3 59 60 A T > - 0 0 53 6,-0.3 3,-1.2 -2,-0.3 6,-0.1 -0.555 38.1 -99.3-110.9 179.8 66.5 48.7 8.8 60 61 A E T 3 S+ 0 0 81 1,-0.2 -56,-0.3 -2,-0.2 -55,-0.1 0.570 119.1 71.3 -77.1 -6.8 65.1 52.0 7.6 61 62 A E T >> S+ 0 0 103 2,-0.1 3,-1.5 5,-0.1 4,-1.0 0.527 81.9 149.2 -84.3 -7.2 68.6 52.6 6.2 62 63 A Y T <4 + 0 0 4 -3,-1.2 -55,-0.1 1,-0.3 -54,-0.1 -0.404 54.8 27.0 -64.7 144.3 68.0 50.0 3.5 63 64 A P T 34 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.978 123.1 53.7 -85.0 3.3 69.2 49.8 0.7 64 65 A N T <4 S+ 0 0 123 -3,-1.5 -2,-0.2 1,-0.1 34,-0.1 0.897 116.4 40.5 -64.5 -38.7 72.2 51.9 1.8 65 66 A K S < S- 0 0 107 -4,-1.0 -6,-0.3 -6,-0.1 -1,-0.1 -0.925 93.0-119.7-112.6 135.9 72.9 49.4 4.7 66 67 A P - 0 0 26 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.202 25.4-114.8 -68.7 160.3 72.5 45.6 4.2 67 68 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.458 26.8-112.6 -88.8 167.8 70.1 43.5 6.2 68 69 A T E -C 57 0A 81 -11,-1.8 -11,-2.7 -2,-0.1 2,-0.5 -0.875 32.6-159.5 -99.8 135.4 71.2 40.8 8.6 69 70 A V E +C 56 0A 5 -2,-0.5 17,-2.5 17,-0.3 2,-0.4 -0.970 11.9 178.2-122.6 129.1 70.3 37.3 7.5 70 71 A K E -CD 55 85A 67 -15,-2.2 -15,-3.2 -2,-0.5 2,-0.3 -0.960 30.0-120.7-129.8 145.6 70.1 34.3 9.7 71 72 A F E -C 54 0A 8 13,-2.8 -17,-0.3 -2,-0.4 4,-0.1 -0.664 18.3-170.8 -80.5 137.6 69.2 30.7 9.1 72 73 A I S S+ 0 0 69 -19,-3.6 -18,-0.2 -2,-0.3 -1,-0.2 0.821 71.9 74.4 -92.6 -45.8 66.2 29.6 11.2 73 74 A S S S- 0 0 1 -20,-1.6 74,-0.1 1,-0.1 -21,-0.1 -0.271 107.4 -89.6 -60.0 153.1 66.7 26.0 10.2 74 75 A K - 0 0 108 69,-0.1 2,-0.3 72,-0.1 -1,-0.1 -0.370 53.6-159.5 -64.4 147.4 69.6 24.4 12.0 75 76 A M - 0 0 27 7,-0.2 2,-0.4 -4,-0.1 9,-0.1 -0.969 28.8-171.5-137.6 150.8 72.8 24.8 10.0 76 77 A F + 0 0 9 -2,-0.3 67,-0.1 64,-0.1 5,-0.1 -0.873 41.8 127.7-137.3 98.8 76.3 23.3 9.7 77 78 A H > - 0 0 2 -2,-0.4 3,-1.9 3,-0.3 49,-0.2 -0.981 64.0-119.7-155.4 142.7 78.4 25.4 7.4 78 79 A P T 3 S+ 0 0 5 0, 0.0 44,-2.9 0, 0.0 43,-2.4 0.858 114.4 43.8 -52.1 -39.5 81.9 27.1 7.7 79 80 A N T 3 S+ 0 0 3 41,-0.2 8,-3.0 42,-0.2 2,-0.5 0.165 95.9 93.6 -95.9 18.2 80.4 30.6 7.2 80 81 A V B < -E 86 0B 5 -3,-1.9 -3,-0.3 6,-0.2 6,-0.2 -0.945 64.6-141.3-117.7 123.4 77.4 30.2 9.6 81 82 A Y > - 0 0 113 4,-2.8 3,-1.8 -2,-0.5 -6,-0.1 -0.200 32.1-100.0 -71.8 167.9 77.4 31.2 13.2 82 83 A A T 3 S+ 0 0 106 1,-0.3 -7,-0.2 39,-0.2 -1,-0.1 0.842 123.1 53.3 -57.7 -36.9 75.8 29.3 16.1 83 84 A D T 3 S- 0 0 87 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.395 125.9-100.4 -81.7 5.6 72.8 31.7 16.1 84 85 A G < + 0 0 2 -3,-1.8 -13,-2.8 1,-0.3 -2,-0.1 0.366 70.0 155.1 92.8 -5.0 72.3 31.1 12.4 85 86 A S B -D 70 0A 27 -15,-0.3 -4,-2.8 -5,-0.1 2,-0.6 -0.331 38.2-136.1 -61.0 129.8 74.0 34.3 11.3 86 87 A I B -E 80 0B 12 -17,-2.5 2,-0.9 -6,-0.2 -17,-0.3 -0.791 6.0-150.9 -93.4 121.7 75.4 34.1 7.8 87 88 A C + 0 0 22 -8,-3.0 2,-0.4 -2,-0.6 29,-0.2 -0.819 35.1 153.9 -92.8 104.7 78.8 35.6 7.3 88 89 A L >> - 0 0 11 -2,-0.9 3,-2.2 1,-0.1 4,-0.7 -0.995 45.9-135.2-137.1 126.6 78.8 36.7 3.7 89 90 A D G >4>S+ 0 0 45 -2,-0.4 5,-3.0 1,-0.3 3,-0.9 0.809 103.5 57.7 -50.8 -39.5 81.0 39.5 2.2 90 91 A I G 345S+ 0 0 14 1,-0.3 6,-0.3 4,-0.2 -1,-0.3 0.644 107.9 48.8 -70.0 -11.8 78.1 41.2 0.2 91 92 A L G <45S+ 0 0 17 -3,-2.2 -1,-0.3 4,-0.1 -2,-0.2 0.546 124.0 31.9 -98.0 -10.8 76.2 41.6 3.5 92 93 A Q T <<5S- 0 0 105 -3,-0.9 3,-0.2 -4,-0.7 -2,-0.1 0.739 135.9 -19.8-107.9 -88.2 79.3 43.0 5.1 93 94 A N T 5S+ 0 0 131 -4,-0.4 -3,-0.2 1,-0.1 -4,-0.1 0.571 128.4 59.0-106.7 -12.0 81.9 45.1 3.2 94 95 A R S - 0 0 35 -6,-0.3 3,-2.3 -2,-0.2 -2,-0.1 -0.990 27.0-137.6-126.6 131.8 76.0 47.3 -2.9 97 98 A P T 3 S+ 0 0 55 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.520 104.1 68.6 -63.4 -1.9 72.7 49.2 -2.7 98 99 A T T 3 S+ 0 0 110 -34,-0.1 2,-0.2 2,-0.1 -34,-0.1 0.601 78.9 95.0 -90.8 -13.9 72.0 47.7 -6.1 99 100 A Y < - 0 0 84 -3,-2.3 2,-0.2 -36,-0.2 -4,-0.0 -0.558 59.5-169.5 -76.1 139.3 71.7 44.1 -4.6 100 101 A D > - 0 0 21 -2,-0.2 4,-2.5 -89,-0.1 5,-0.2 -0.599 41.0 -82.7-120.4-174.8 68.1 43.1 -3.8 101 102 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.887 127.3 53.8 -56.3 -42.6 66.4 40.2 -1.9 102 103 A A H > S+ 0 0 16 1,-0.2 4,-2.4 -91,-0.2 -1,-0.2 0.927 111.5 45.0 -58.7 -46.1 66.7 38.0 -4.9 103 104 A A H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 112.5 51.6 -66.2 -39.8 70.4 38.6 -5.3 104 105 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.938 113.2 43.4 -63.2 -48.2 71.0 38.1 -1.5 105 106 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.918 112.3 54.0 -63.9 -46.1 69.1 34.7 -1.4 106 107 A T H X S+ 0 0 48 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.917 109.1 48.4 -53.6 -47.5 70.8 33.6 -4.6 107 108 A S H X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 109.9 51.0 -60.5 -45.8 74.3 34.3 -3.1 108 109 A I H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.798 109.5 52.2 -62.1 -28.3 73.4 32.4 0.1 109 110 A Q H >X S+ 0 0 34 -4,-1.8 3,-0.9 2,-0.2 4,-0.5 0.922 111.9 44.7 -72.5 -43.9 72.3 29.5 -2.0 110 111 A S H 3< S+ 0 0 67 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.821 105.2 63.3 -66.7 -34.0 75.6 29.5 -3.9 111 112 A L T 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.664 88.5 74.4 -65.8 -17.8 77.5 29.9 -0.6 112 113 A L T <4 S+ 0 0 3 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.937 107.1 26.9 -64.1 -49.6 76.2 26.5 0.5 113 114 A D S < S+ 0 0 59 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.333 125.4 52.0 -97.4 9.6 78.4 24.3 -1.7 114 115 A E S S- 0 0 150 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.486 76.6-164.6-143.7 69.2 81.2 26.9 -1.9 115 116 A P - 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