==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-DEC-09 3L1Y . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 D2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BENIRSCHKE,J.R.THOMPSON,G.MER . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 63.2 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 16.4 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 28.9 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 0 0 0 1 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 . 3 0 0 1 1 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 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 -4 A H 0 0 204 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.4 1.6 5.0 43.6 2 -3 A H - 0 0 154 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.629 360.0-146.3-113.0 166.6 0.7 5.0 39.9 3 -2 A M - 0 0 144 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.674 16.9-149.9-113.4 -17.8 2.6 3.7 37.0 4 -1 A N + 0 0 157 1,-0.1 4,-0.2 3,-0.0 3,-0.1 0.806 61.6 114.5 55.6 35.2 1.7 6.1 34.2 5 0 A S > + 0 0 34 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.226 31.1 106.7-121.8 22.2 2.0 3.5 31.4 6 1 A M H > S+ 0 0 145 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.874 81.8 51.5 -71.4 -33.0 -1.5 3.3 30.1 7 2 A A H > S+ 0 0 14 56,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.947 110.9 48.4 -63.9 -47.1 -0.6 5.2 26.9 8 3 A L H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.897 111.1 50.2 -56.0 -43.7 2.3 2.8 26.3 9 4 A K H X S+ 0 0 113 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.899 111.7 48.9 -63.6 -42.1 -0.1 -0.2 26.9 10 5 A R H X S+ 0 0 59 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.8 48.1 -63.9 -45.0 -2.6 1.3 24.4 11 6 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.894 111.1 50.8 -63.5 -43.4 0.1 1.8 21.8 12 7 A H H X S+ 0 0 75 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.901 110.2 50.6 -56.7 -42.2 1.4 -1.7 22.3 13 8 A K H X S+ 0 0 112 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 110.4 48.7 -59.7 -44.7 -2.1 -3.0 21.9 14 9 A E H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.829 110.0 51.8 -67.9 -36.6 -2.6 -1.1 18.7 15 10 A L H X S+ 0 0 35 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.906 110.4 48.2 -65.5 -41.7 0.8 -2.4 17.4 16 11 A N H X S+ 0 0 97 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.887 111.9 49.8 -68.3 -35.7 -0.2 -6.0 18.1 17 12 A D H X S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.908 107.0 55.8 -68.3 -39.4 -3.6 -5.4 16.4 18 13 A L H < S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 106.8 49.7 -58.3 -42.1 -1.8 -3.9 13.3 19 14 A A H < S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.8 45.7 -65.0 -38.5 0.3 -7.1 12.9 20 15 A R H < S+ 0 0 177 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.805 131.9 16.7 -79.2 -27.3 -2.8 -9.3 13.1 21 16 A D S < S- 0 0 126 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.643 82.0-167.0-145.1 77.1 -4.9 -7.2 10.7 22 17 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.459 33.3-111.1 -71.8 139.5 -2.8 -4.8 8.7 23 18 A P > - 0 0 7 0, 0.0 3,-2.2 0, 0.0 -2,-0.0 -0.578 48.8-114.5 -62.5 130.5 -4.4 -2.1 6.8 24 19 A A T 3 S+ 0 0 90 1,-0.3 85,-0.0 -2,-0.3 19,-0.0 0.747 104.0 35.2 -53.6 -42.3 -3.6 -3.6 3.4 25 20 A Q T 3 S+ 0 0 46 17,-0.1 18,-2.7 18,-0.0 2,-0.3 0.434 108.6 84.7 -85.9 1.4 -1.2 -1.2 1.8 26 21 A C E < -A 42 0A 13 -3,-2.2 2,-0.3 16,-0.2 16,-0.2 -0.842 44.4-178.2-122.4 142.9 0.6 -0.2 5.0 27 22 A S E +A 41 0A 65 14,-2.3 14,-2.6 -2,-0.3 2,-0.3 -0.958 18.1 163.7-120.4 159.2 3.3 -1.1 7.5 28 23 A A E +A 40 0A 20 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.951 5.1 134.2-165.9 149.4 4.1 0.8 10.7 29 24 A G E -A 39 0A 11 10,-2.1 10,-2.5 -2,-0.3 30,-0.1 -0.968 54.7 -50.7-179.9 176.2 6.0 0.3 13.9 30 25 A P E -A 38 0A 30 0, 0.0 8,-0.3 0, 0.0 5,-0.1 -0.175 39.9-133.6 -61.4 143.8 8.4 1.9 16.4 31 26 A V S S- 0 0 97 6,-2.5 2,-0.1 3,-0.6 7,-0.1 0.954 79.2 -41.3 -61.9 -53.4 11.7 3.3 15.0 32 27 A G S S- 0 0 55 5,-0.3 5,-0.0 2,-0.3 0, 0.0 -0.224 112.0 -25.8-138.2-120.1 13.8 1.6 17.8 33 28 A D S S+ 0 0 165 -2,-0.1 2,-0.8 1,-0.1 3,-0.1 0.309 106.8 96.0 -89.0 8.5 12.9 1.3 21.5 34 29 A D > - 0 0 69 3,-0.2 3,-1.8 1,-0.2 -3,-0.6 -0.833 53.6-168.1-108.8 106.7 10.7 4.3 21.7 35 30 A M T 3 S+ 0 0 24 -2,-0.8 -1,-0.2 1,-0.3 26,-0.1 0.661 83.2 64.1 -66.0 -15.0 7.1 3.3 21.3 36 31 A F T 3 S+ 0 0 45 1,-0.1 25,-2.7 24,-0.1 2,-0.5 0.547 96.1 61.0 -88.9 -6.2 5.9 6.8 20.9 37 32 A H E < + B 0 60A 78 -3,-1.8 -6,-2.5 23,-0.2 -5,-0.3 -0.963 67.8 170.3-124.8 109.9 7.9 7.4 17.6 38 33 A W E -AB 30 59A 3 21,-3.1 21,-2.5 -2,-0.5 2,-0.3 -0.754 23.7-146.1-113.0 162.2 6.9 5.2 14.7 39 34 A Q E -AB 29 58A 93 -10,-2.5 -10,-2.1 -2,-0.3 2,-0.3 -0.904 19.8-167.4-114.6 156.2 7.7 5.1 11.0 40 35 A A E -AB 28 57A 2 17,-2.2 17,-2.5 -2,-0.3 2,-0.4 -0.976 13.1-153.8-142.5 162.1 5.2 3.9 8.4 41 36 A T E -AB 27 56A 34 -14,-2.6 -14,-2.3 -2,-0.3 2,-0.5 -0.998 7.0-168.0-133.8 137.1 5.2 3.0 4.8 42 37 A I E -AB 26 55A 0 13,-2.8 13,-2.8 -2,-0.4 2,-0.4 -0.982 13.8-146.1-127.1 121.2 2.2 3.2 2.5 43 38 A M E - B 0 54A 110 -18,-2.7 11,-0.2 -2,-0.5 3,-0.1 -0.721 42.4 -95.3 -79.7 132.4 2.2 1.5 -0.9 44 39 A G - 0 0 3 9,-2.6 8,-0.5 -2,-0.4 4,-0.1 -0.215 49.1 -99.5 -50.3 127.3 0.2 3.7 -3.4 45 40 A P - 0 0 9 0, 0.0 3,-0.5 0, 0.0 6,-0.3 -0.214 29.4-123.4 -50.3 138.2 -3.4 2.4 -3.6 46 41 A N S S+ 0 0 99 1,-0.3 2,-0.9 -3,-0.1 5,-0.1 0.788 107.6 47.9 -59.0 -33.0 -3.9 0.2 -6.6 47 42 A D S S+ 0 0 138 3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.582 102.6 84.2-105.0 64.4 -6.8 2.2 -8.1 48 43 A S S > S- 0 0 15 -2,-0.9 3,-1.6 -3,-0.5 68,-0.1 -0.977 91.0-110.1-154.5 158.2 -5.1 5.4 -7.7 49 44 A P T 3 S+ 0 0 21 0, 0.0 98,-0.2 0, 0.0 -3,-0.1 0.561 114.1 67.6 -72.5 0.7 -2.6 7.4 -9.6 50 45 A Y T > + 0 0 0 -5,-0.3 3,-2.6 65,-0.1 -6,-0.4 0.365 68.6 137.5 -97.8 7.2 -0.0 6.6 -6.8 51 46 A Q T < S+ 0 0 110 -3,-1.6 3,-0.1 -6,-0.3 -5,-0.1 -0.201 71.1 23.5 -58.4 134.1 -0.0 2.9 -7.8 52 47 A G T 3 S+ 0 0 53 -8,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.231 98.9 120.5 94.5 -21.3 3.6 1.6 -7.7 53 48 A G < - 0 0 1 -3,-2.6 -9,-2.6 -8,-0.1 2,-0.5 -0.487 51.7-151.8 -76.3 153.8 4.7 4.4 -5.3 54 49 A V E -B 43 0A 50 97,-2.9 2,-0.5 -11,-0.2 -11,-0.2 -0.990 15.6-167.3-126.4 117.1 6.2 3.8 -1.9 55 50 A F E -B 42 0A 1 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.3 -0.922 7.5-148.4-114.0 129.0 5.5 6.7 0.6 56 51 A F E -B 41 0A 102 -2,-0.5 19,-3.2 -15,-0.2 20,-1.2 -0.775 17.8-178.9 -98.0 142.6 7.2 7.1 3.9 57 52 A L E -BC 40 74A 4 -17,-2.5 -17,-2.2 -2,-0.3 2,-0.3 -0.917 19.4-141.0-132.9 158.3 5.6 8.7 7.0 58 53 A T E -BC 39 73A 72 15,-2.6 15,-2.1 -2,-0.3 2,-0.4 -0.928 14.8-163.1-115.7 147.7 6.5 9.5 10.6 59 54 A I E -BC 38 72A 2 -21,-2.5 -21,-3.1 -2,-0.3 2,-0.5 -0.992 5.5-172.0-131.7 127.4 4.1 9.1 13.5 60 55 A H E -BC 37 71A 73 11,-2.9 11,-2.6 -2,-0.4 -23,-0.2 -0.962 11.9-153.8-120.5 114.6 4.5 10.7 16.9 61 56 A F - 0 0 0 -25,-2.7 2,-0.1 -2,-0.5 -2,-0.0 -0.703 21.2-122.1 -82.9 138.7 2.1 9.5 19.6 62 57 A P > - 0 0 25 0, 0.0 3,-2.1 0, 0.0 6,-0.1 -0.343 22.0-112.1 -76.2 156.2 1.4 12.1 22.4 63 58 A T T 3 S+ 0 0 125 1,-0.3 -56,-0.2 3,-0.1 -55,-0.1 0.763 118.9 49.5 -58.2 -23.5 2.1 11.1 26.0 64 59 A D T > S+ 0 0 61 -57,-0.1 3,-2.7 -58,-0.1 -1,-0.3 0.075 93.0 176.2-107.3 23.6 -1.7 11.2 26.7 65 60 A Y T < + 0 0 4 -3,-2.1 -55,-0.2 1,-0.3 -54,-0.1 -0.358 59.7 36.2 -53.5 139.4 -2.6 9.0 23.8 66 61 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.884 112.6 64.0 -94.8 18.7 -5.4 8.0 23.0 67 62 A F S < S+ 0 0 147 -3,-2.7 -2,-0.2 -5,-0.1 31,-0.0 0.545 111.0 34.2 -85.9 -7.3 -6.8 11.4 24.3 68 63 A K S S- 0 0 109 -6,-0.1 31,-0.1 -4,-0.1 -1,-0.1 -0.970 96.0-102.7-136.2 152.3 -5.1 13.4 21.6 69 64 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 25,-0.1 -0.247 35.8-103.5 -69.9 156.7 -4.3 12.3 18.0 70 65 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.507 33.7-119.0 -69.1 155.2 -0.9 11.1 16.8 71 66 A K E -C 60 0A 156 -11,-2.6 -11,-2.9 -2,-0.1 2,-0.4 -0.875 38.5-174.4 -95.5 122.9 1.0 13.6 14.7 72 67 A V E +C 59 0A 18 -2,-0.6 17,-0.5 -13,-0.2 2,-0.3 -0.972 7.8 172.9-125.7 134.5 1.5 12.1 11.3 73 68 A A E -CD 58 88A 24 -15,-2.1 -15,-2.6 -2,-0.4 2,-0.3 -0.987 29.6-122.2-140.0 147.4 3.5 13.5 8.4 74 69 A F E -C 57 0A 6 13,-2.6 -17,-0.3 -2,-0.3 4,-0.1 -0.621 15.9-174.2 -76.3 144.3 4.6 12.4 5.0 75 70 A T + 0 0 90 -19,-3.2 2,-0.4 -2,-0.3 -18,-0.2 0.539 69.2 74.7-110.0 -13.1 8.3 12.4 4.3 76 71 A T S S- 0 0 16 -20,-1.2 75,-0.1 11,-0.1 74,-0.0 -0.840 90.3-112.1 -97.5 140.4 7.9 11.5 0.7 77 72 A R + 0 0 92 -2,-0.4 2,-0.3 73,-0.2 73,-0.1 -0.339 41.1 177.2 -69.2 144.5 6.7 14.1 -1.8 78 73 A I - 0 0 10 5,-0.1 2,-1.0 6,-0.1 5,-0.1 -0.990 34.9-126.6-150.4 142.8 3.2 13.5 -3.3 79 74 A Y + 0 0 17 -2,-0.3 5,-0.1 64,-0.3 68,-0.1 -0.805 60.7 126.5 -93.6 97.9 0.9 15.3 -5.7 80 75 A H B > -E 83 0B 0 -2,-1.0 3,-1.3 3,-0.5 49,-0.2 -0.978 63.6-126.2-156.1 141.5 -2.3 15.5 -3.6 81 76 A P T 3 S+ 0 0 0 0, 0.0 43,-2.6 0, 0.0 44,-2.1 0.723 108.2 43.8 -63.6 -23.9 -4.7 18.4 -2.6 82 77 A N T 3 S+ 0 0 1 41,-0.2 8,-3.3 42,-0.2 2,-0.4 0.201 102.3 68.3-110.4 8.4 -4.5 17.6 1.1 83 78 A I B < -EF 80 89B 2 -3,-1.3 -3,-0.5 6,-0.2 6,-0.2 -0.996 68.0-157.4-133.6 123.5 -0.8 16.9 1.7 84 79 A N > - 0 0 41 4,-1.9 3,-2.2 -2,-0.4 -10,-0.1 -0.312 36.3 -93.4-104.4-180.0 1.7 19.7 1.4 85 80 A S T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 40,-0.0 0.629 124.4 60.3 -71.1 -13.3 5.4 19.9 0.7 86 81 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.367 119.4-112.0 -81.8 -1.4 6.1 19.9 4.5 87 82 A G < + 0 0 6 -3,-2.2 -13,-2.6 1,-0.3 -2,-0.1 0.524 64.9 155.0 78.2 4.2 4.3 16.4 4.5 88 83 A S B -D 73 0A 51 -15,-0.2 -4,-1.9 1,-0.1 2,-0.6 -0.479 33.3-145.1 -68.6 140.3 1.4 17.9 6.6 89 84 A I B -F 83 0B 12 -17,-0.5 2,-1.1 -6,-0.2 -6,-0.2 -0.940 6.1-150.2-115.4 121.4 -1.8 16.0 6.2 90 85 A C + 0 0 4 -8,-3.3 2,-0.3 -2,-0.6 29,-0.2 -0.743 43.7 140.6 -88.8 98.5 -5.2 17.8 6.2 91 86 A L > - 0 0 17 -2,-1.1 3,-2.0 1,-0.1 4,-0.3 -0.969 51.1-137.1-144.7 123.7 -7.5 15.0 7.6 92 87 A D G > >S+ 0 0 85 -2,-0.3 5,-2.4 1,-0.3 3,-2.0 0.835 101.4 58.2 -55.5 -40.2 -10.3 15.7 10.1 93 88 A I G 3 5S+ 0 0 30 1,-0.3 -1,-0.3 4,-0.2 6,-0.1 0.682 102.2 55.1 -68.4 -14.1 -9.5 12.8 12.4 94 89 A L G < 5S+ 0 0 23 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.446 125.0 20.1 -91.1 1.0 -6.0 14.1 12.9 95 90 A R T X 5S- 0 0 133 -3,-2.0 3,-1.8 -4,-0.3 -3,-0.1 0.042 133.7 -5.4-134.1-116.2 -7.5 17.4 14.1 96 91 A S T 3 5S+ 0 0 90 1,-0.3 -3,-0.2 -2,-0.1 -4,-0.1 0.765 128.1 54.1 -68.3 -19.4 -11.0 18.3 15.3 97 92 A Q T 3 - 0 0 49 -6,-0.1 3,-2.2 -2,-0.1 -31,-0.1 -0.984 36.5-123.5-136.5 148.9 -11.8 10.4 19.2 100 95 A P T 3 S+ 0 0 53 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.587 110.0 71.6 -70.1 -7.9 -10.1 8.1 21.7 101 96 A A T 3 S+ 0 0 81 2,-0.1 2,-0.0 -35,-0.0 -3,-0.0 0.596 84.3 89.6 -74.8 -16.9 -12.1 5.4 20.1 102 97 A L < - 0 0 35 -3,-2.2 2,-0.3 -36,-0.2 -4,-0.0 -0.295 60.8-161.8 -77.8 164.9 -9.8 5.7 17.0 103 98 A T > - 0 0 29 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.928 36.5-100.4-139.4 170.3 -6.6 3.7 16.5 104 99 A I H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.861 122.8 55.8 -63.9 -32.1 -3.4 4.0 14.4 105 100 A S H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 107.7 48.7 -64.3 -40.3 -4.8 1.3 12.0 106 101 A K H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.879 111.0 51.0 -63.1 -38.7 -7.9 3.5 11.6 107 102 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.949 111.5 46.6 -63.5 -47.2 -5.7 6.5 10.9 108 103 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.933 112.0 50.1 -62.9 -43.5 -3.7 4.6 8.3 109 104 A L H X S+ 0 0 79 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 110.3 51.5 -58.5 -43.9 -6.8 3.3 6.6 110 105 A S H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.869 107.8 51.6 -64.9 -37.0 -8.2 6.9 6.5 111 106 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.926 110.4 49.0 -61.8 -45.7 -4.9 8.2 4.9 112 107 A C H X S+ 0 0 18 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.925 110.1 50.7 -58.6 -40.6 -5.3 5.5 2.3 113 108 A S H X S+ 0 0 71 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.890 108.7 53.0 -62.1 -41.2 -8.9 6.5 1.7 114 109 A L H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 104.3 55.3 -62.5 -40.0 -7.7 10.1 1.4 115 110 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.8 38.3 -58.9 -40.4 -5.2 9.1 -1.3 116 111 A C H < S+ 0 0 43 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.842 129.7 29.5 -75.6 -37.0 -8.1 7.6 -3.3 117 112 A D S < S- 0 0 113 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.777 80.4-162.6-130.3 80.3 -10.7 10.3 -2.5 118 113 A P - 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