==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE/SIGNALLING PROTEIN 21-MAY-12 4AUQ . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 D2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.DOU,L.BUETOW,G.J.SIBBET,K.CAMERON,D.T.HUANG . 558 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 30 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 2 0 0 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 . 11 3 1 7 2 1 2 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 4 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 A > 0 0 46 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.6 -0.8 -26.6 16.1 2 3 A L H > + 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.937 360.0 45.8 -64.2 -50.9 2.6 -28.2 17.0 3 4 A K H > S+ 0 0 109 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.942 114.0 50.5 -53.9 -50.0 1.7 -31.8 15.8 4 5 A R H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 110.6 48.7 -56.8 -45.0 0.3 -30.4 12.6 5 6 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.889 111.4 50.2 -65.6 -36.7 3.4 -28.4 12.0 6 7 A H H X S+ 0 0 77 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.923 109.3 50.4 -64.4 -44.9 5.6 -31.5 12.7 7 8 A K H X S+ 0 0 81 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.894 111.2 50.1 -62.0 -38.9 3.7 -33.6 10.3 8 9 A E H X S+ 0 0 6 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.943 107.7 52.5 -61.6 -50.4 4.1 -30.9 7.6 9 10 A L H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.887 108.6 51.5 -54.9 -40.7 7.8 -30.6 8.2 10 11 A N H X S+ 0 0 95 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.928 105.9 53.2 -62.8 -44.9 8.0 -34.4 7.7 11 12 A D H X S+ 0 0 65 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.790 107.8 53.6 -63.3 -24.5 6.2 -34.3 4.4 12 13 A L H < S+ 0 0 23 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.928 107.3 49.1 -71.3 -48.6 8.7 -31.7 3.3 13 14 A A H < S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 119.3 41.3 -53.2 -41.3 11.6 -33.9 4.1 14 15 A R H < S+ 0 0 161 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.918 133.7 8.0 -77.6 -47.1 9.8 -36.7 2.2 15 16 A D S < S+ 0 0 72 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.491 72.9 175.7-142.0 68.5 8.4 -34.9 -0.9 16 17 A P - 0 0 41 0, 0.0 5,-0.1 0, 0.0 -4,-0.1 -0.435 32.8-116.3 -73.1 146.5 9.6 -31.3 -1.3 17 18 A P - 0 0 6 0, 0.0 3,-0.4 0, 0.0 -2,-0.0 -0.312 29.2-108.9 -77.1 176.4 8.6 -29.4 -4.4 18 19 A A S S+ 0 0 86 1,-0.2 3,-0.0 -2,-0.0 0, 0.0 0.789 106.2 42.6 -79.5 -34.4 11.3 -28.3 -6.7 19 20 A Q S S+ 0 0 31 17,-0.1 18,-3.6 18,-0.1 2,-0.3 0.446 107.2 55.3 -98.4 1.6 11.4 -24.6 -6.3 20 21 A C E -A 36 0A 5 -3,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.969 46.6-176.0-138.1 148.0 11.1 -24.1 -2.5 21 22 A R E +A 35 0A 131 14,-2.0 14,-3.1 -2,-0.3 2,-0.3 -0.961 15.0 169.4-132.3 153.9 12.6 -25.1 0.8 22 23 A A E +A 34 0A 17 -2,-0.3 12,-0.2 12,-0.3 77,-0.0 -0.974 5.7 139.4-159.1 156.8 11.4 -24.3 4.3 23 24 A G E -A 33 0A 7 10,-2.2 10,-2.7 -2,-0.3 30,-0.1 -0.955 52.1 -55.3 174.9 166.9 12.0 -25.1 8.0 24 25 A P E -A 32 0A 36 0, 0.0 8,-0.3 0, 0.0 5,-0.1 -0.210 36.5-147.9 -59.3 141.7 12.3 -23.9 11.6 25 26 A V S S- 0 0 82 6,-2.3 7,-0.1 3,-0.5 4,-0.1 0.981 78.2 -6.4 -73.6 -62.3 14.9 -21.3 12.2 26 27 A G S S- 0 0 46 5,-0.4 0, 0.0 2,-0.3 0, 0.0 0.317 109.2 -60.7 -99.0-141.3 15.9 -22.3 15.7 27 28 A D S S+ 0 0 154 3,-0.0 2,-0.9 2,-0.0 3,-0.0 0.129 105.8 110.3 -85.1 5.3 14.4 -24.9 17.9 28 29 A D > - 0 0 75 3,-0.2 3,-1.4 1,-0.2 -3,-0.5 -0.780 52.6-168.2 -93.2 109.2 11.3 -22.7 17.6 29 30 A M T 3 S+ 0 0 34 -2,-0.9 -1,-0.2 1,-0.3 3,-0.0 0.611 82.6 59.9 -74.1 -11.6 8.8 -24.7 15.6 30 31 A F T 3 S+ 0 0 53 1,-0.1 25,-2.4 24,-0.1 2,-0.5 0.452 96.7 64.1 -95.4 -3.3 6.5 -21.7 15.1 31 32 A H E < + B 0 54A 50 -3,-1.4 -6,-2.3 23,-0.2 -5,-0.4 -0.959 68.6 175.8-124.2 112.2 9.1 -19.5 13.3 32 33 A W E -AB 24 53A 0 21,-3.1 21,-3.3 -2,-0.5 2,-0.4 -0.768 23.4-145.7-116.1 158.9 10.3 -20.7 10.0 33 34 A Q E -AB 23 52A 78 -10,-2.7 -10,-2.2 -2,-0.3 2,-0.3 -0.921 22.5-166.6-113.3 147.2 12.5 -19.5 7.2 34 35 A A E -AB 22 51A 0 17,-2.2 17,-2.2 -2,-0.4 2,-0.4 -0.951 13.2-150.6-134.4 160.2 11.8 -20.3 3.5 35 36 A T E -AB 21 50A 27 -14,-3.1 -14,-2.0 -2,-0.3 2,-0.4 -0.992 9.0-171.8-127.5 132.3 13.5 -20.2 0.1 36 37 A I E -AB 20 49A 0 13,-2.6 13,-2.8 -2,-0.4 2,-0.3 -0.989 17.6-138.6-124.5 127.6 11.8 -19.7 -3.2 37 38 A M E - B 0 48A 77 -18,-3.6 11,-0.2 -2,-0.4 8,-0.1 -0.615 30.0-110.7 -77.6 136.7 13.6 -20.1 -6.5 38 39 A G - 0 0 3 9,-3.3 8,-0.6 -2,-0.3 -1,-0.1 -0.494 41.7-105.0 -63.3 134.1 12.8 -17.5 -9.1 39 40 A P > - 0 0 4 0, 0.0 3,-0.5 0, 0.0 5,-0.2 -0.357 38.5-109.0 -63.6 139.9 10.8 -19.2 -12.0 40 41 A N T 3 S+ 0 0 103 212,-0.2 4,-0.1 1,-0.2 -3,-0.0 -0.182 98.4 25.6 -68.3 160.6 12.7 -19.8 -15.2 41 42 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.884 106.3 101.0 47.9 40.6 12.1 -17.8 -18.4 42 43 A S S X S- 0 0 20 -3,-0.5 3,-1.7 -4,-0.1 -1,-0.2 -0.897 92.4-101.5-138.4 166.5 10.8 -15.0 -16.1 43 44 A P T 3 S+ 0 0 35 0, 0.0 98,-0.2 0, 0.0 -3,-0.1 0.703 121.8 56.2 -64.7 -18.0 12.4 -11.8 -15.0 44 45 A Y T > S+ 0 0 0 -5,-0.2 3,-2.0 -4,-0.1 -6,-0.2 0.296 78.2 134.9 -94.1 6.1 13.1 -13.4 -11.6 45 46 A Q T < + 0 0 97 -3,-1.7 -5,-0.1 1,-0.3 3,-0.1 -0.306 69.8 22.8 -58.5 138.3 15.0 -16.3 -13.2 46 47 A G T 3 S+ 0 0 47 -8,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.333 99.7 128.8 85.8 -7.4 18.3 -17.1 -11.4 47 48 A G < - 0 0 0 -3,-2.0 -9,-3.3 -8,-0.1 2,-0.5 -0.514 45.5-160.6 -84.7 147.6 16.9 -15.5 -8.3 48 49 A V E -B 37 0A 46 97,-1.5 2,-0.5 -11,-0.2 -11,-0.2 -0.994 14.3-164.7-124.1 120.7 16.8 -17.0 -4.8 49 50 A F E -B 36 0A 1 -13,-2.8 -13,-2.6 -2,-0.5 2,-0.3 -0.923 6.0-150.5-115.5 130.7 14.3 -15.3 -2.5 50 51 A F E -B 35 0A 100 -2,-0.5 19,-2.9 -15,-0.2 20,-1.5 -0.721 15.6-178.1 -94.6 144.9 14.1 -15.7 1.3 51 52 A L E -BC 34 68A 4 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.4 -0.912 19.9-133.3-132.6 162.9 10.9 -15.4 3.4 52 53 A T E -BC 33 67A 37 15,-2.7 15,-1.7 -2,-0.3 2,-0.4 -0.934 19.3-161.0-116.4 142.5 10.0 -15.5 7.0 53 54 A I E -BC 32 66A 1 -21,-3.3 -21,-3.1 -2,-0.4 2,-0.5 -0.982 9.6-175.2-129.3 131.5 7.1 -17.6 8.4 54 55 A H E -BC 31 65A 80 11,-2.6 11,-3.2 -2,-0.4 -23,-0.2 -0.966 13.2-152.8-126.1 117.6 5.3 -17.3 11.6 55 56 A F - 0 0 11 -25,-2.4 2,-0.1 -2,-0.5 -2,-0.0 -0.713 17.7-128.6 -86.4 133.3 2.6 -19.9 12.6 56 57 A P > - 0 0 34 0, 0.0 3,-1.8 0, 0.0 6,-0.1 -0.382 25.4-112.0 -73.9 157.8 -0.2 -18.8 14.9 57 58 A T T 3 S+ 0 0 123 1,-0.3 -55,-0.2 -2,-0.1 -2,-0.0 0.688 118.3 53.6 -67.1 -20.2 -0.8 -21.0 17.9 58 59 A D T > S+ 0 0 78 5,-0.1 3,-2.6 -57,-0.1 4,-0.4 0.114 92.7 170.1 -94.6 9.9 -4.3 -21.9 16.4 59 60 A Y T < + 0 0 3 -3,-1.8 -55,-0.2 1,-0.3 -54,-0.1 -0.433 53.8 30.8 -52.9 150.3 -2.8 -23.0 13.1 60 61 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.904 115.4 60.1 -90.7 40.6 -3.9 -24.4 10.9 61 62 A F S < S+ 0 0 84 -3,-2.6 -2,-0.2 -5,-0.1 34,-0.1 0.650 113.4 41.5 -94.8 -10.3 -7.4 -22.9 11.5 62 63 A K S S- 0 0 119 -4,-0.4 -1,-0.1 -6,-0.1 27,-0.1 -0.965 100.9-101.3-128.4 145.1 -5.8 -19.5 11.0 63 64 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.163 33.5-110.8 -65.2 158.5 -3.3 -18.7 8.3 64 65 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.524 30.6-113.4 -77.3 156.4 0.5 -18.4 8.8 65 66 A K E -C 54 0A 162 -11,-3.2 -11,-2.6 -2,-0.2 2,-0.4 -0.849 41.4-179.3 -91.2 123.4 2.1 -14.9 8.5 66 67 A V E +C 53 0A 14 -2,-0.6 17,-0.6 -13,-0.2 2,-0.3 -0.988 7.9 161.2-129.1 133.8 4.4 -14.9 5.5 67 68 A A E -CD 52 82A 24 -15,-1.7 -15,-2.7 -2,-0.4 15,-0.2 -0.994 37.4-106.2-149.1 149.6 6.7 -12.1 4.2 68 69 A F E -C 51 0A 9 13,-3.1 -17,-0.3 -2,-0.3 4,-0.1 -0.559 19.3-174.8 -75.6 137.1 9.7 -11.7 2.0 69 70 A T S S+ 0 0 101 -19,-2.9 2,-0.3 -2,-0.2 -18,-0.2 0.739 70.9 74.6 -83.5 -43.8 13.1 -10.9 3.5 70 71 A T S S- 0 0 15 -20,-1.5 75,-0.1 1,-0.1 2,-0.0 -0.532 93.5-111.3 -77.8 133.1 14.7 -10.4 0.1 71 72 A R + 0 0 114 -2,-0.3 2,-0.3 73,-0.1 -1,-0.1 -0.377 45.1 178.8 -63.0 139.5 13.9 -7.2 -1.8 72 73 A I - 0 0 12 6,-0.1 2,-0.7 2,-0.1 9,-0.1 -0.999 31.4-129.8-150.3 148.1 11.8 -7.9 -4.9 73 74 A Y + 0 0 15 -2,-0.3 5,-0.1 64,-0.2 68,-0.1 -0.860 56.9 115.5-102.4 111.9 10.2 -6.0 -7.7 74 75 A H > - 0 0 0 -2,-0.7 3,-1.2 3,-0.4 48,-0.1 -0.925 66.3-122.0-176.4 139.1 6.5 -7.0 -8.1 75 76 A P T 3 S+ 0 0 3 0, 0.0 44,-2.3 0, 0.0 43,-1.5 0.652 109.8 54.9 -69.5 -16.6 3.1 -5.2 -7.8 76 77 A A T 3 S+ 0 0 3 42,-0.2 8,-2.4 41,-0.2 2,-0.4 0.465 102.2 61.2 -95.7 -2.1 1.9 -7.8 -5.1 77 78 A I B < S-E 83 0B 5 -3,-1.2 -3,-0.4 6,-0.2 6,-0.2 -0.984 70.6-152.7-130.1 122.5 4.8 -7.3 -2.7 78 79 A N > - 0 0 48 4,-1.8 3,-2.8 -2,-0.4 -6,-0.1 -0.312 38.5 -91.3 -91.0 176.8 5.7 -4.1 -0.9 79 80 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.602 124.7 61.3 -67.8 -8.8 9.1 -2.8 0.3 80 81 A N T 3 S- 0 0 135 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.382 118.6-110.4 -91.5 1.4 8.3 -4.4 3.7 81 82 A G < + 0 0 7 -3,-2.8 -13,-3.1 1,-0.3 2,-0.2 0.443 66.9 151.6 86.5 -0.4 8.1 -7.8 2.1 82 83 A S B -D 67 0A 52 -15,-0.2 -4,-1.8 1,-0.1 2,-0.4 -0.425 33.4-149.2 -70.1 142.3 4.4 -8.0 2.7 83 84 A I B -E 77 0B 20 -17,-0.6 2,-0.9 -6,-0.2 -6,-0.2 -0.878 6.3-144.6-117.8 132.9 2.6 -10.2 0.1 84 85 A S + 0 0 23 -8,-2.4 198,-1.4 -2,-0.4 2,-0.4 -0.855 43.3 142.2-102.2 106.5 -1.0 -9.5 -0.9 85 86 A L B > -F 281 0C 9 -2,-0.9 3,-1.7 196,-0.2 4,-0.3 -0.961 48.7-140.9-145.3 129.5 -2.5 -12.9 -1.5 86 87 A D G > >S+ 0 0 28 194,-1.6 3,-2.4 -2,-0.4 5,-2.0 0.840 99.9 63.5 -65.3 -33.2 -6.0 -13.8 -0.5 87 88 A I G 3 5S+ 0 0 1 1,-0.3 -1,-0.3 4,-0.2 6,-0.2 0.697 96.0 61.0 -67.4 -14.3 -5.1 -17.2 0.7 88 89 A L G < 5S+ 0 0 27 -3,-1.7 -1,-0.3 4,-0.1 -2,-0.2 0.557 123.0 13.3 -85.2 -10.6 -3.0 -15.5 3.4 89 90 A R T X 5S- 0 0 67 -3,-2.4 3,-1.0 -4,-0.3 -3,-0.1 0.270 133.3 -4.0-124.5 -88.0 -6.2 -13.9 4.7 90 91 A S T 3 5S+ 0 0 99 1,-0.3 -3,-0.2 3,-0.0 -4,-0.1 0.689 127.3 54.1 -92.4 -13.4 -9.8 -14.5 4.0 91 92 A Q T 3 - 0 0 4 -6,-0.2 3,-2.3 1,-0.1 -31,-0.1 -0.999 21.4-136.1-126.7 138.5 -8.0 -23.0 4.0 94 95 A P T 3 S+ 0 0 17 0, 0.0 -32,-0.1 0, 0.0 96,-0.1 0.610 105.1 62.9 -63.4 -14.9 -6.9 -25.3 6.9 95 96 A A T 3 S+ 0 0 3 94,-0.3 2,-0.2 -34,-0.1 95,-0.1 0.593 82.3 100.1 -82.2 -12.2 -5.9 -28.0 4.3 96 97 A L < - 0 0 0 -3,-2.3 2,-0.3 -36,-0.2 119,-0.1 -0.502 60.1-157.5 -73.0 145.3 -3.3 -25.7 2.8 97 98 A T > - 0 0 30 117,-0.2 4,-2.7 -2,-0.2 3,-0.3 -0.750 33.1-105.3-119.7 164.2 0.3 -26.3 3.8 98 99 A I H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.3 5,-0.3 0.921 123.0 58.9 -56.0 -42.6 3.3 -24.1 3.8 99 100 A S H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.910 109.0 42.7 -48.5 -48.3 4.5 -26.1 0.8 100 101 A K H > S+ 0 0 2 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.879 112.5 54.2 -71.2 -34.6 1.3 -25.1 -1.1 101 102 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.914 109.1 47.1 -65.1 -41.9 1.5 -21.5 0.1 102 103 A L H X S+ 0 0 3 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.913 112.0 50.1 -66.9 -41.9 5.1 -21.1 -1.2 103 104 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.911 110.1 52.4 -60.8 -41.8 4.1 -22.7 -4.5 104 105 A S H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.942 110.7 46.4 -56.9 -49.9 1.1 -20.3 -4.6 105 106 A I H >X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 3,-1.0 0.919 107.9 56.3 -61.0 -46.9 3.4 -17.3 -4.0 106 107 A C H >X S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.8 0.928 103.9 54.3 -51.7 -42.9 5.9 -18.5 -6.6 107 108 A S H 3X S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.3 148,-0.4 0.712 99.3 62.8 -69.8 -19.5 3.1 -18.5 -9.3 108 109 A L H X< S+ 0 0 2 -3,-1.0 3,-0.8 -4,-0.9 -1,-0.3 0.890 92.2 67.0 -63.2 -39.3 2.3 -14.9 -8.5 109 110 A L H << S+ 0 0 2 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.893 111.2 29.4 -53.8 -49.3 5.7 -14.0 -9.7 110 111 A C H 3< S+ 0 0 40 -4,-0.8 -1,-0.3 143,-0.4 -2,-0.2 0.467 127.5 46.7 -91.1 -3.2 5.2 -14.8 -13.3 111 112 A D S << S- 0 0 45 -3,-0.8 -1,-0.2 -4,-0.5 2,-0.2 -0.465 74.0-178.7-134.7 60.8 1.4 -14.1 -13.1 112 113 A P - 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