==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 26-SEP-00 1FXT . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-24 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.S.HAMILTON,G.S.SHAW,R.S.WILLIAMS,J.T.HUZIL,S.MCKENNA, . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 34 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 S 0 0 111 0, 0.0 3,-0.1 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 122.6 27.2 -0.9 -0.3 2 3 A R >> + 0 0 35 57,-0.5 4,-1.5 1,-0.2 3,-0.8 0.831 360.0 54.7 -61.4 -34.8 24.5 1.1 1.7 3 4 A A H 3> S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 2,-0.5 0.931 107.6 49.7 -59.6 -46.7 25.5 4.4 -0.2 4 5 A K H 34 S+ 0 0 152 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.125 114.8 47.9 -84.3 43.6 25.0 2.8 -3.7 5 6 A R H X> S+ 0 0 20 -3,-0.8 3,-1.0 -2,-0.5 4,-1.0 0.452 104.2 46.3-142.9 -66.9 21.5 1.4 -2.5 6 7 A I H 3X S+ 0 0 0 -4,-1.5 4,-2.7 25,-0.4 3,-0.2 0.860 102.3 64.3 -58.9 -42.4 19.2 4.1 -0.8 7 8 A M H 3X S+ 0 0 85 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.747 100.8 54.1 -57.3 -22.5 19.8 6.9 -3.5 8 9 A K H <> S+ 0 0 113 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.925 111.1 44.5 -68.5 -49.7 18.0 4.6 -6.1 9 10 A E H X S+ 0 0 3 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.894 112.6 52.9 -56.4 -43.5 14.9 4.3 -3.7 10 11 A I H X S+ 0 0 32 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.958 114.7 40.1 -58.2 -54.5 15.0 8.2 -3.0 11 12 A Q H X S+ 0 0 82 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.948 114.1 52.9 -62.3 -48.1 15.0 9.1 -6.8 12 13 A A H X S+ 0 0 40 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.794 113.0 44.7 -57.6 -32.6 12.4 6.4 -7.7 13 14 A V H < S+ 0 0 17 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.2 0.872 111.3 54.6 -72.4 -43.4 10.0 7.8 -4.9 14 15 A K H < S+ 0 0 153 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.902 109.7 46.2 -52.4 -47.4 10.6 11.5 -6.1 15 16 A D H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.716 110.9 57.3 -66.0 -25.0 9.6 10.7 -9.8 16 17 A D >< + 0 0 60 -4,-0.5 3,-0.6 -3,-0.4 5,-0.4 -0.756 44.7 166.1-122.0 88.8 6.3 8.7 -8.8 17 18 A P G > S+ 0 0 111 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.766 77.0 72.0 -61.2 -27.7 3.5 10.4 -6.7 18 19 A A G 3 S+ 0 0 82 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.826 85.4 65.5 -60.0 -32.6 1.0 7.5 -7.6 19 20 A A G < S- 0 0 17 -3,-0.6 -1,-0.2 -6,-0.1 -6,-0.0 0.534 100.4-136.8 -62.3 -9.8 3.0 5.0 -5.3 20 21 A H < + 0 0 90 -3,-1.5 19,-0.5 1,-0.2 2,-0.4 0.516 55.7 127.9 71.6 9.8 1.9 7.1 -2.2 21 22 A I - 0 0 16 -5,-0.4 2,-0.5 17,-0.2 17,-0.2 -0.793 41.3-165.9-106.2 138.2 5.3 7.2 -0.3 22 23 A T E -A 37 0A 54 15,-2.0 15,-2.6 -2,-0.4 2,-0.7 -0.987 4.3-165.8-106.0 127.5 7.6 10.0 1.2 23 24 A L E +A 36 0A 17 -2,-0.5 2,-0.5 13,-0.2 13,-0.2 -0.738 25.3 174.5-100.3 79.9 11.2 8.8 2.1 24 25 A E E -A 35 0A 76 11,-1.9 11,-2.8 -2,-0.7 5,-0.1 -0.785 27.4-119.6 -99.9 119.5 11.9 12.0 4.2 25 26 A F E -A 34 0A 40 -2,-0.5 9,-0.2 3,-0.3 -1,-0.1 -0.205 8.0-150.1 -67.4 144.9 15.3 12.1 6.1 26 27 A V S S+ 0 0 68 7,-2.5 8,-0.1 0, 0.0 -1,-0.1 0.825 97.1 31.0 -79.2 -34.6 15.9 12.3 10.0 27 28 A S S S- 0 0 81 6,-0.5 7,-0.0 1,-0.0 -2,-0.0 0.832 122.0 -79.4 -81.1 -93.4 19.3 14.2 9.6 28 29 A E S S- 0 0 187 -4,-0.0 -3,-0.3 0, 0.0 -1,-0.0 0.344 96.1 -27.6-136.8 -73.4 19.3 16.4 6.4 29 30 A S S S+ 0 0 90 -5,-0.1 -5,-0.0 -3,-0.0 0, 0.0 -0.458 85.7 145.5-146.3 75.2 20.0 14.3 3.2 30 31 A D - 0 0 31 3,-0.2 -5,-0.1 1,-0.0 4,-0.0 0.431 56.9-103.7 -83.9-142.5 22.2 11.1 4.3 31 32 A I S S+ 0 0 55 -25,-0.1 -25,-0.4 -27,-0.0 -26,-0.1 0.112 99.1 16.1-134.7 24.1 22.1 7.5 2.8 32 33 A H S S+ 0 0 57 1,-0.1 2,-0.8 -26,-0.1 25,-0.5 0.473 89.1 84.9-159.2 -57.6 20.2 5.5 5.6 33 34 A H E + B 0 56A 46 23,-0.1 -7,-2.5 21,-0.0 -6,-0.5 -0.620 58.9 165.7 -93.0 105.1 18.0 7.1 8.4 34 35 A L E -AB 25 55A 0 21,-1.7 21,-1.4 -2,-0.8 2,-1.0 -0.910 48.3-139.2-126.5 138.4 14.4 7.7 7.1 35 36 A K E -AB 24 54A 42 -11,-2.8 -11,-1.9 -2,-0.4 2,-0.8 -0.817 32.3-163.6 -81.1 97.9 10.8 8.6 8.0 36 37 A G E -AB 23 53A 0 17,-2.5 17,-0.9 -2,-1.0 2,-0.5 -0.800 14.1-174.8 -85.7 105.9 9.2 6.1 5.4 37 38 A T E -AB 22 52A 3 -15,-2.6 -15,-2.0 -2,-0.8 2,-0.2 -0.916 10.3-172.0-119.5 119.0 5.6 7.4 5.3 38 39 A F E - B 0 51A 0 13,-1.3 13,-2.8 -2,-0.5 2,-0.3 -0.663 27.9-108.5-101.5 161.0 2.5 5.9 3.4 39 40 A L E - B 0 50A 84 -19,-0.5 11,-0.2 -2,-0.2 9,-0.0 -0.703 48.4 -90.0 -88.0 140.4 -1.1 7.2 2.7 40 41 A G - 0 0 8 9,-1.4 8,-1.5 -2,-0.3 7,-0.2 -0.197 38.2-110.6 -55.6 126.7 -4.0 5.4 4.6 41 42 A P - 0 0 2 0, 0.0 5,-0.3 0, 0.0 3,-0.1 -0.369 42.6-124.6 -57.4 115.5 -5.8 2.3 3.0 42 43 A P S S+ 0 0 86 0, 0.0 155,-0.1 0, 0.0 4,-0.0 -0.182 82.3 27.6 -78.2 156.4 -9.5 3.5 2.0 43 44 A G S S+ 0 0 60 1,-0.2 0, 0.0 153,-0.0 0, 0.0 0.941 108.9 78.4 66.2 49.0 -12.9 1.9 3.0 44 45 A T S > S- 0 0 32 -3,-0.1 3,-1.9 70,-0.0 -1,-0.2 -0.943 101.7 -85.8-173.9 149.2 -11.4 0.5 6.3 45 46 A P T 3 S+ 0 0 28 0, 0.0 99,-0.4 0, 0.0 68,-0.1 0.573 124.7 57.4 -47.1 -10.5 -10.5 1.9 10.0 46 47 A Y T 3 S+ 0 0 0 -5,-0.3 3,-0.1 66,-0.1 67,-0.1 0.244 80.7 136.8-107.6 15.3 -6.9 2.9 8.5 47 48 A E < + 0 0 83 -3,-1.9 -7,-0.1 -7,-0.2 -8,-0.0 -0.231 57.7 2.8 -60.1 141.1 -8.3 5.3 5.6 48 49 A G S S+ 0 0 49 -8,-1.5 2,-0.3 1,-0.1 -1,-0.1 0.948 90.1 100.9 58.6 78.7 -6.8 8.8 4.7 49 50 A G S S- 0 0 8 -3,-0.1 -9,-1.4 100,-0.1 2,-0.8 -0.937 72.7 -94.1 178.3 153.3 -3.7 9.7 6.7 50 51 A K E -B 39 0A 72 99,-1.3 2,-1.0 -2,-0.3 99,-0.3 -0.737 35.1-159.3 -87.0 105.8 0.1 10.0 6.8 51 52 A F E -B 38 0A 2 -13,-2.8 -13,-1.3 -2,-0.8 2,-0.5 -0.718 13.1-154.7 -90.9 96.1 1.4 6.7 8.5 52 53 A V E -B 37 0A 27 -2,-1.0 19,-1.3 -15,-0.2 20,-1.0 -0.611 14.7-178.1 -87.6 120.9 5.0 7.7 9.8 53 54 A V E -BC 36 70A 0 -17,-0.9 -17,-2.5 -2,-0.5 2,-0.2 -0.953 20.1-142.3-119.9 117.6 7.7 4.9 10.2 54 55 A D E -BC 35 69A 18 15,-2.2 15,-2.4 -2,-0.5 2,-0.4 -0.576 28.0-163.0 -73.4 133.7 11.3 5.5 11.6 55 56 A I E -BC 34 68A 0 -21,-1.4 -21,-1.7 -2,-0.2 2,-0.7 -0.916 30.0-178.7-136.3 111.7 13.8 3.2 9.6 56 57 A E E -BC 33 67A 45 11,-0.8 11,-2.6 -2,-0.4 -23,-0.1 -0.923 15.2-164.5 -91.1 105.9 17.4 2.1 10.2 57 58 A V - 0 0 0 -2,-0.7 4,-0.3 -25,-0.5 -51,-0.1 -0.823 41.5-113.9 -79.2 94.7 18.1 -0.1 7.0 58 59 A P > - 0 0 23 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.259 23.1 -90.7 -60.7 163.8 21.3 -1.7 8.7 59 60 A M T 3 S+ 0 0 147 1,-0.3 -57,-0.5 4,-0.1 4,-0.0 0.699 120.1 55.2 -36.0 -46.0 25.0 -1.3 7.7 60 61 A E T > S+ 0 0 108 -59,-0.1 3,-2.1 2,-0.1 -1,-0.3 0.166 86.8 173.5 -79.5 19.2 25.3 -4.3 5.3 61 62 A Y T < + 0 0 0 -3,-1.9 -55,-0.1 1,-0.3 -4,-0.0 -0.524 61.9 51.2 -62.6 119.4 22.2 -3.1 3.0 62 63 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.831 125.0 39.1 -75.4 -16.4 21.4 -4.5 0.3 63 64 A F S < S+ 0 0 147 -3,-2.1 -2,-0.3 35,-0.1 32,-0.2 0.712 100.5 78.2 -78.1 -25.6 21.5 -7.7 2.6 64 65 A K S S- 0 0 69 -6,-0.3 30,-0.1 33,-0.1 29,-0.1 -0.697 75.5-123.8 -91.9 137.8 20.0 -6.5 6.0 65 66 A P - 0 0 20 0, 0.0 27,-0.1 0, 0.0 2,-0.1 -0.441 36.3 -94.9 -74.0 149.5 16.1 -5.9 6.7 66 67 A P - 0 0 0 0, 0.0 2,-1.5 0, 0.0 -9,-0.2 -0.349 20.9-130.8 -65.4 135.5 14.7 -2.5 8.0 67 68 A K E -C 56 0A 116 -11,-2.6 2,-0.8 -2,-0.1 -11,-0.8 -0.639 33.3-164.0 -77.5 84.9 14.2 -1.7 11.7 68 69 A M E +C 55 0A 5 -2,-1.5 2,-0.5 -13,-0.2 -13,-0.2 -0.658 17.1 168.1 -87.2 104.1 10.6 -0.4 11.2 69 70 A Q E -C 54 0A 74 -15,-2.4 -15,-2.2 -2,-0.8 2,-0.3 -0.922 28.2-132.6-123.9 107.0 9.4 1.6 14.4 70 71 A F E -C 53 0A 4 14,-2.6 -17,-0.2 -2,-0.5 4,-0.1 -0.408 24.1-178.4 -67.3 122.1 6.2 3.7 14.1 71 72 A D S S+ 0 0 79 -19,-1.3 2,-0.5 -2,-0.3 -1,-0.1 0.957 82.0 68.7 -66.9 -56.9 5.9 7.4 15.4 72 73 A T S S- 0 0 12 -20,-1.0 2,-0.3 1,-0.1 76,-0.1 -0.496 93.9-132.2 -60.4 110.9 2.2 7.3 14.3 73 74 A K - 0 0 45 -2,-0.5 2,-0.4 70,-0.1 74,-0.2 -0.554 24.7-167.0 -78.8 129.0 0.5 4.9 16.8 74 75 A V - 0 0 3 6,-1.0 2,-1.3 -2,-0.3 10,-0.1 -0.953 21.8-139.9-125.5 124.3 -1.8 2.2 15.1 75 76 A Y + 0 0 34 -2,-0.4 5,-0.1 65,-0.2 65,-0.1 -0.631 58.3 124.7 -84.2 86.3 -4.4 -0.1 16.8 76 77 A H B > -D 79 0B 0 -2,-1.3 3,-0.9 3,-1.0 46,-0.4 -0.998 67.4-122.6-145.7 138.9 -3.7 -3.4 14.8 77 78 A P T 3 S+ 0 0 1 0, 0.0 44,-2.5 0, 0.0 49,-0.2 0.823 113.8 35.4 -50.8 -38.9 -2.7 -7.2 15.6 78 79 A N T 3 S+ 0 0 1 42,-0.2 9,-2.7 43,-0.2 2,-0.4 0.526 116.8 55.8 -90.2 -12.2 0.6 -7.1 13.4 79 80 A I B < S-DE 76 86B 0 -3,-0.9 -3,-1.0 7,-0.2 7,-0.2 -0.992 94.6 -99.9-132.2 131.1 1.7 -3.3 14.1 80 81 A S - 0 0 0 5,-2.7 -6,-1.0 -2,-0.4 -5,-0.1 -0.252 25.2-174.3 -71.0 125.3 2.2 -1.9 17.7 81 82 A S S S+ 0 0 12 -5,-0.2 -1,-0.1 -8,-0.2 -6,-0.1 0.848 91.4 25.4 -67.5 -40.5 -0.3 0.2 19.6 82 83 A V S S+ 0 0 119 -8,-0.1 -2,-0.0 -9,-0.1 -1,-0.0 0.909 131.1 24.6 -93.8 -57.2 2.1 1.0 22.6 83 84 A T S S- 0 0 91 2,-0.1 -2,-0.1 1,-0.0 -10,-0.0 0.945 89.1-115.8 -80.1 -53.0 5.8 0.7 21.3 84 85 A G + 0 0 2 1,-0.3 -14,-2.6 -10,-0.1 -4,-0.2 -0.063 69.0 126.3 124.6 -40.8 6.2 1.3 17.5 85 86 A A - 0 0 25 -16,-0.2 -5,-2.7 -6,-0.1 2,-0.3 0.130 43.3-147.4 -56.8 166.6 7.5 -2.2 16.5 86 87 A I B -E 79 0B 5 -7,-0.2 2,-0.6 -18,-0.2 -7,-0.2 -0.995 8.7-143.1-136.7 143.2 6.0 -4.6 13.7 87 88 A C + 0 0 14 -9,-2.7 2,-0.2 -2,-0.3 32,-0.2 -0.907 51.7 119.8-106.0 105.3 5.6 -8.4 13.1 88 89 A L >> - 0 0 1 -2,-0.6 4,-1.9 1,-0.1 3,-0.8 -0.679 48.1-154.8-147.9 106.9 6.1 -9.5 9.4 89 90 A D H 3>>S+ 0 0 40 137,-0.6 4,-3.1 1,-0.2 5,-1.4 0.875 86.7 44.8 -63.0 -49.6 9.1 -11.9 9.4 90 91 A I H 345S+ 0 0 25 131,-0.3 6,-0.4 3,-0.2 -1,-0.2 0.741 117.2 50.5 -63.3 -21.7 10.6 -11.7 5.8 91 92 A L H <45S+ 0 0 6 -3,-0.8 -2,-0.2 130,-0.2 -1,-0.2 0.881 127.2 20.1 -73.0 -45.5 10.3 -7.8 6.0 92 93 A K H <5S+ 0 0 66 -4,-1.9 -2,-0.2 134,-0.1 -3,-0.2 0.693 140.2 11.4-101.2 -24.9 12.1 -7.5 9.5 93 94 A N T <5S+ 0 0 102 -4,-3.1 2,-1.1 -5,-0.3 -3,-0.2 0.723 121.6 43.6-120.3 -63.2 14.2 -10.8 10.0 94 95 A A S - 0 0 41 -6,-0.4 3,-1.6 62,-0.2 -1,-0.1 -0.898 30.5-133.1 -85.3 114.2 15.4 -11.0 0.1 97 98 A P T 3 S+ 0 0 50 0, 0.0 -33,-0.1 0, 0.0 -1,-0.1 0.596 97.1 54.6 -52.4 -18.1 18.4 -8.6 -0.8 98 99 A V T 3 S+ 0 0 104 61,-0.5 2,-0.6 -35,-0.1 61,-0.1 0.071 71.7 123.6-105.4 28.9 16.6 -6.7 -3.8 99 100 A I < - 0 0 4 -3,-1.6 2,-0.2 -37,-0.2 61,-0.1 -0.753 52.5-146.1 -81.6 119.2 13.3 -5.5 -1.9 100 101 A T >> - 0 0 62 -2,-0.6 4,-2.3 1,-0.1 3,-0.7 -0.555 19.8-121.7 -75.1 149.1 13.1 -1.6 -2.3 101 102 A L H 3> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.862 116.3 64.2 -58.3 -32.9 11.6 0.7 0.5 102 103 A K H 3> S+ 0 0 41 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.861 110.1 38.3 -52.7 -39.1 9.0 1.8 -2.3 103 104 A S H <> S+ 0 0 20 -3,-0.7 4,-1.3 2,-0.1 -2,-0.2 0.866 114.9 54.8 -73.8 -41.0 7.8 -1.9 -2.2 104 105 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.882 107.3 46.2 -65.7 -42.5 8.2 -2.3 1.7 105 106 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.888 110.9 54.0 -67.9 -35.3 6.0 0.7 2.9 106 107 A I H X S+ 0 0 23 -4,-0.6 4,-2.2 -5,-0.4 -2,-0.2 0.802 103.8 58.5 -62.5 -30.1 3.3 -0.5 0.3 107 108 A S H X S+ 0 0 1 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.905 105.6 47.1 -60.3 -43.8 3.6 -3.9 2.2 108 109 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.900 110.5 53.1 -62.8 -41.2 2.6 -2.1 5.5 109 110 A Q H X S+ 0 0 33 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.959 112.7 43.5 -52.0 -54.8 -0.4 -0.4 3.6 110 111 A A H X S+ 0 0 6 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.809 110.2 56.8 -62.6 -32.0 -1.6 -3.9 2.4 111 112 A L H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.1 -2,-0.2 0.937 112.4 41.8 -60.7 -46.1 -1.0 -5.3 6.0 112 113 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.874 98.7 76.6 -64.1 -40.2 -3.5 -2.6 7.4 113 114 A Q H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.676 113.6 12.7 -50.7 -29.3 -6.1 -2.9 4.5 114 115 A S S < S- 0 0 29 -4,-0.5 -1,-0.2 -3,-0.5 84,-0.0 -0.677 89.8-138.3-145.3 91.2 -7.7 -6.2 5.8 115 116 A P + 0 0 20 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.191 24.1 176.2 -64.9 144.5 -6.6 -7.1 9.5 116 117 A E - 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