==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-AUG-08 3E95 . COMPND 2 MOLECULE: UBIQUITIN CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR A.K.WERNIMONT,A.LAM,A.ALI,S.BROKX,Y.H.LIN,Y.ZHAO,J.LEW, . 431 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 63.1 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 . 77 17.9 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 . 3 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 . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 3 0 0 0 1 1 0 1 2 2 1 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 . 8 0 0 3 1 2 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 1 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 I 0 0 174 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.6 51.6 -0.6 -48.8 2 3 A P > - 0 0 56 0, 0.0 4,-1.3 0, 0.0 5,-0.1 -0.287 360.0-130.0 -66.1 150.1 55.1 0.8 -49.6 3 4 A R H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.824 102.7 56.3 -70.2 -35.2 56.7 0.2 -53.0 4 5 A R H > S+ 0 0 79 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.922 104.9 49.7 -65.6 -48.3 60.1 -1.0 -51.6 5 6 A I H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 112.7 48.3 -57.3 -45.1 58.6 -3.8 -49.5 6 7 A T H X S+ 0 0 78 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.860 113.8 47.5 -64.0 -37.4 56.6 -5.1 -52.4 7 8 A K H X S+ 0 0 134 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.914 113.1 47.1 -70.1 -44.8 59.7 -5.0 -54.7 8 9 A E H X S+ 0 0 6 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.883 110.4 53.7 -63.6 -40.9 61.9 -6.8 -52.1 9 10 A T H X S+ 0 0 28 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.933 112.4 43.5 -56.4 -49.8 59.2 -9.4 -51.5 10 11 A Q H X S+ 0 0 44 -4,-1.8 4,-2.7 1,-0.2 5,-0.4 0.859 111.6 54.5 -65.8 -38.1 59.1 -10.1 -55.3 11 12 A N H X S+ 0 0 35 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.839 110.5 45.9 -65.0 -35.4 62.9 -10.1 -55.6 12 13 A L H < S+ 0 0 4 -4,-2.0 10,-0.3 2,-0.2 -2,-0.2 0.834 116.8 44.2 -76.3 -34.9 63.2 -12.7 -52.8 13 14 A A H < S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.907 122.4 35.0 -76.0 -45.0 60.5 -15.0 -54.3 14 15 A N H < S+ 0 0 139 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.860 134.1 23.4 -79.5 -38.8 61.5 -14.8 -57.9 15 16 A E S < S+ 0 0 126 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.657 79.6 177.9-130.6 76.3 65.3 -14.6 -57.4 16 17 A P - 0 0 62 0, 0.0 5,-0.1 0, 0.0 -4,-0.1 -0.474 35.7-104.8 -78.1 149.7 66.2 -16.1 -54.0 17 18 A P > - 0 0 3 0, 0.0 3,-2.3 0, 0.0 2,-0.1 -0.463 52.9 -84.7 -67.0 146.0 69.9 -16.4 -52.9 18 19 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 19,-0.0 -0.321 116.7 10.9 -56.9 125.1 71.3 -20.0 -53.1 19 20 A G T 3 S+ 0 0 29 1,-0.2 18,-2.7 -3,-0.1 2,-0.4 0.507 112.0 100.7 84.2 6.7 70.3 -21.9 -49.9 20 21 A I E < -A 36 0A 5 -3,-2.3 2,-0.4 16,-0.2 16,-0.2 -0.988 45.0-178.9-129.2 131.3 67.9 -19.2 -48.8 21 22 A M E +A 35 0A 128 14,-2.5 14,-2.6 -2,-0.4 2,-0.4 -0.997 4.4 177.3-127.4 134.9 64.1 -19.0 -49.1 22 23 A A E +A 34 0A 6 -2,-0.4 12,-0.2 -10,-0.3 -2,-0.0 -0.957 6.3 161.7-142.6 120.0 62.0 -16.1 -47.9 23 24 A V E -A 33 0A 78 10,-2.0 10,-2.9 -2,-0.4 2,-0.1 -0.981 33.7-116.8-133.7 146.0 58.2 -15.6 -48.2 24 25 A P E -A 32 0A 46 0, 0.0 8,-0.2 0, 0.0 5,-0.2 -0.380 31.9-105.4 -77.4 161.5 55.7 -13.3 -46.4 25 26 A V E > -A 28 0A 40 6,-1.9 3,-2.3 3,-1.0 6,-0.2 -0.739 44.8-100.5 -83.2 130.2 52.9 -14.5 -44.1 26 27 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.278 108.9 13.6 -51.5 132.6 49.4 -14.2 -45.8 27 28 A E T 3 S+ 0 0 211 -3,-0.0 2,-0.1 2,-0.0 -2,-0.0 0.546 121.3 72.4 69.9 11.5 47.6 -11.1 -44.5 28 29 A N E X +A 25 0A 61 -3,-2.3 -3,-1.0 3,-0.1 3,-0.8 -0.599 51.2 176.0-151.6 90.7 50.9 -9.7 -43.0 29 30 A Y E 3 S+ 0 0 94 1,-0.2 -1,-0.0 -5,-0.2 -20,-0.0 0.591 83.5 58.4 -69.5 -12.7 53.4 -8.5 -45.5 30 31 A R E 3 S+ 0 0 44 -5,-0.1 25,-1.8 24,-0.1 2,-0.4 0.726 91.6 79.4 -88.2 -26.6 55.7 -7.3 -42.7 31 32 A H E < - B 0 54A 39 -3,-0.8 -6,-1.9 -6,-0.2 2,-0.4 -0.695 67.0-169.4 -82.1 131.6 55.9 -10.9 -41.2 32 33 A F E -AB 24 53A 0 21,-2.0 21,-2.0 -2,-0.4 2,-0.5 -0.971 18.4-150.7-127.3 140.9 58.4 -13.1 -43.0 33 34 A N E -AB 23 52A 64 -10,-2.9 -10,-2.0 -2,-0.4 2,-0.4 -0.949 22.4-166.5-106.1 126.1 59.2 -16.9 -42.8 34 35 A I E -AB 22 51A 3 17,-3.1 17,-2.4 -2,-0.5 2,-0.5 -0.919 14.8-167.7-119.4 136.7 62.8 -17.8 -43.7 35 36 A L E -AB 21 50A 29 -14,-2.6 -14,-2.5 -2,-0.4 2,-0.5 -0.989 10.6-176.9-119.0 120.6 64.4 -21.1 -44.5 36 37 A I E -AB 20 49A 0 13,-2.5 13,-2.9 -2,-0.5 -16,-0.2 -0.980 20.1-135.5-118.2 125.3 68.2 -21.2 -44.5 37 38 A N E - B 0 48A 82 -18,-2.7 11,-0.2 -2,-0.5 8,-0.1 -0.523 29.9-106.7 -71.5 141.2 70.1 -24.3 -45.5 38 39 A G - 0 0 5 9,-2.8 8,-0.9 6,-0.4 3,-0.1 -0.587 45.6-110.2 -67.9 126.6 73.1 -25.3 -43.3 39 40 A P > - 0 0 23 0, 0.0 3,-1.1 0, 0.0 5,-0.2 -0.194 32.5 -98.2 -61.3 149.2 76.2 -24.5 -45.3 40 41 A D T 3 S+ 0 0 134 1,-0.2 4,-0.0 5,-0.1 -3,-0.0 -0.376 107.8 28.9 -63.5 143.8 78.5 -27.2 -46.6 41 42 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.593 103.0 99.2 78.8 11.7 81.6 -28.0 -44.5 42 43 A T S X S- 0 0 19 -3,-1.1 3,-2.2 -4,-0.1 -1,-0.3 -0.873 88.8-107.8-123.0 160.1 79.8 -26.9 -41.3 43 44 A P T 3 S+ 0 0 11 0, 0.0 98,-0.2 0, 0.0 -5,-0.1 0.637 119.1 61.4 -58.0 -13.2 78.1 -29.0 -38.5 44 45 A Y T > S+ 0 0 1 -5,-0.2 3,-1.9 65,-0.2 -6,-0.4 0.383 74.7 134.6 -97.2 1.7 74.9 -27.6 -39.9 45 46 A E T < S+ 0 0 104 -3,-2.2 -5,-0.1 1,-0.3 3,-0.1 -0.227 71.5 17.4 -56.2 134.6 75.3 -29.2 -43.3 46 47 A G T 3 S+ 0 0 70 -8,-0.9 -1,-0.3 1,-0.3 2,-0.2 0.218 103.1 115.9 87.2 -13.8 72.2 -31.0 -44.7 47 48 A G < - 0 0 1 -3,-1.9 -9,-2.8 -8,-0.1 2,-0.5 -0.508 57.0-142.5 -90.2 156.1 69.9 -29.1 -42.2 48 49 A T E -B 37 0A 24 97,-1.3 2,-0.5 -11,-0.2 -11,-0.2 -0.979 16.2-156.2-119.1 124.4 67.2 -26.6 -42.8 49 50 A Y E -B 36 0A 1 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.3 -0.885 4.9-145.4-110.5 122.9 66.8 -23.7 -40.4 50 51 A K E +B 35 0A 86 -2,-0.5 19,-2.8 98,-0.2 20,-1.5 -0.639 23.4 174.2 -80.2 136.7 63.6 -21.8 -39.7 51 52 A L E -BC 34 68A 1 -17,-2.4 -17,-3.1 -2,-0.3 2,-0.4 -0.975 22.0-141.7-137.8 154.2 63.8 -18.1 -39.0 52 53 A E E -BC 33 67A 36 15,-2.4 15,-1.6 -2,-0.3 2,-0.4 -0.969 14.5-167.9-116.4 134.6 61.3 -15.3 -38.5 53 54 A L E -BC 32 66A 0 -21,-2.0 -21,-2.0 -2,-0.4 2,-0.5 -0.984 1.2-164.9-124.2 126.3 61.8 -11.7 -39.8 54 55 A F E -BC 31 65A 77 11,-2.8 11,-2.4 -2,-0.4 -23,-0.2 -0.925 10.3-149.1-110.3 131.7 59.8 -8.7 -38.9 55 56 A L - 0 0 6 -25,-1.8 -2,-0.0 -2,-0.5 -25,-0.0 -0.896 21.5-140.9 -96.4 117.0 59.8 -5.4 -40.8 56 57 A P > - 0 0 27 0, 0.0 3,-1.0 0, 0.0 6,-0.1 -0.180 25.4-103.3 -69.9 169.2 59.1 -2.5 -38.4 57 58 A E T 3 S+ 0 0 171 1,-0.2 4,-0.1 3,-0.1 -2,-0.0 0.876 120.5 52.3 -61.4 -39.8 56.9 0.5 -39.4 58 59 A Q T > S+ 0 0 114 5,-0.1 3,-2.7 2,-0.1 -1,-0.2 0.548 90.6 162.7 -77.7 -8.7 60.0 2.8 -40.0 59 60 A Y T < + 0 0 13 -3,-1.0 -54,-0.1 1,-0.4 -4,-0.0 -0.276 58.9 28.7 -52.6 136.2 61.7 0.3 -42.3 60 61 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.4 0, 0.0 36,-0.2 -0.927 123.7 54.0 -91.3 18.1 63.9 0.8 -44.2 61 62 A M S < S+ 0 0 123 -3,-2.7 -2,-0.3 -4,-0.1 -3,-0.1 0.829 115.5 43.4 -76.2 -33.4 65.0 3.6 -41.8 62 63 A E S S- 0 0 100 -4,-0.1 31,-0.1 -6,-0.1 -1,-0.0 -0.863 97.0-106.9-109.8 148.1 65.1 1.1 -39.0 63 64 A P - 0 0 36 0, 0.0 25,-0.1 0, 0.0 -4,-0.1 -0.305 35.0-107.8 -70.4 154.4 66.6 -2.5 -39.2 64 65 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.358 28.1-117.4 -74.3 161.8 64.4 -5.6 -39.3 65 66 A K E +C 54 0A 98 -11,-2.4 -11,-2.8 23,-0.1 2,-0.4 -0.879 36.2 177.7-100.6 133.7 64.1 -8.1 -36.4 66 67 A V E +C 53 0A 7 -2,-0.4 17,-0.6 -13,-0.2 2,-0.3 -0.999 9.3 161.1-138.1 138.7 65.3 -11.6 -36.9 67 68 A R E -CD 52 82A 95 -15,-1.6 -15,-2.4 -2,-0.4 15,-0.2 -0.979 37.3-108.5-150.6 150.2 65.5 -14.8 -34.8 68 69 A F E -C 51 0A 3 13,-2.6 -17,-0.3 -2,-0.3 4,-0.1 -0.457 17.2-171.5 -68.5 142.7 65.9 -18.6 -35.4 69 70 A L S S+ 0 0 77 -19,-2.8 2,-0.4 -2,-0.1 -18,-0.2 0.649 73.0 75.9-100.0 -29.6 62.9 -20.8 -34.6 70 71 A T S S- 0 0 13 -20,-1.5 75,-0.1 11,-0.1 2,-0.1 -0.685 93.5-113.0 -81.7 131.4 65.1 -23.9 -35.1 71 72 A K - 0 0 96 -2,-0.4 2,-0.3 73,-0.2 73,-0.1 -0.370 40.5-177.3 -62.7 141.2 67.4 -24.7 -32.2 72 73 A I - 0 0 12 6,-0.2 2,-1.1 2,-0.1 9,-0.1 -0.993 30.5-135.3-149.0 134.5 71.1 -24.4 -33.2 73 74 A Y + 0 0 34 -2,-0.3 5,-0.1 64,-0.3 68,-0.1 -0.772 54.9 133.2 -92.3 96.2 74.4 -25.0 -31.4 74 75 A H > - 0 0 1 -2,-1.1 3,-1.4 3,-0.5 49,-0.1 -0.995 58.7-133.6-149.6 133.9 76.4 -21.9 -32.3 75 76 A P T 3 S+ 0 0 0 0, 0.0 43,-2.3 0, 0.0 44,-2.0 0.707 107.4 47.6 -64.9 -20.5 78.5 -19.5 -30.2 76 77 A N T 3 S+ 0 0 12 41,-0.2 8,-0.7 42,-0.2 2,-0.4 0.215 102.3 70.2-106.9 12.1 76.9 -16.4 -31.7 77 78 A I B < S-E 83 0B 2 -3,-1.4 -3,-0.5 6,-0.1 6,-0.2 -0.993 75.8-140.7-130.4 123.7 73.3 -17.5 -31.4 78 79 A D > - 0 0 13 4,-1.9 3,-1.8 -2,-0.4 -6,-0.2 -0.122 33.8 -90.7 -79.7 178.1 71.6 -17.7 -28.0 79 80 A K T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -7,-0.0 0.663 125.8 52.9 -63.9 -18.3 69.2 -20.3 -26.6 80 81 A L T 3 S- 0 0 101 2,-0.1 -1,-0.3 -9,-0.1 -9,-0.0 0.372 120.1-105.5 -99.1 2.6 66.2 -18.3 -27.9 81 82 A G S < S+ 0 0 6 -3,-1.8 -13,-2.6 1,-0.3 -2,-0.1 0.443 71.3 145.7 88.9 1.9 67.5 -18.0 -31.5 82 83 A R B -D 67 0A 36 -15,-0.2 -4,-1.9 352,-0.1 -1,-0.3 -0.414 31.0-156.9 -72.7 146.6 68.5 -14.3 -31.2 83 84 A I B -E 77 0B 14 -17,-0.6 2,-0.5 352,-0.3 -6,-0.1 -0.773 15.3-135.3-119.9 165.8 71.6 -13.1 -33.0 84 85 A a + 0 0 30 -8,-0.7 2,-0.5 -2,-0.3 302,-0.1 -0.834 34.6 162.5-124.4 91.9 74.0 -10.2 -32.6 85 86 A L > - 0 0 26 -2,-0.5 3,-2.2 1,-0.1 6,-0.2 -0.951 37.1-144.2-116.3 127.8 74.7 -8.5 -36.0 86 87 A D T 3 S+ 0 0 104 -2,-0.5 5,-2.1 1,-0.3 6,-0.2 0.845 101.2 62.4 -53.3 -39.2 76.2 -5.0 -36.3 87 88 A I T 3 0 0 37 4,-0.2 -1,-0.3 3,-0.2 6,-0.2 0.430 360.0 360.0 -71.1 2.3 74.0 -4.3 -39.4 88 89 A L < 0 0 41 -3,-2.2 3,-0.6 4,-0.1 4,-0.3 -0.442 360.0 360.0-115.2 360.0 71.0 -4.7 -37.2 89 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 91 A D 0 0 148 0, 0.0 -3,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -41.5 73.6 0.9 -35.4 91 92 A K + 0 0 141 -5,-2.1 2,-0.2 -3,-0.6 -4,-0.2 0.148 360.0 122.2 -97.8 15.3 75.4 -0.1 -38.6 92 93 A W + 0 0 28 -4,-0.3 -4,-0.1 -6,-0.2 -5,-0.0 -0.563 35.9 174.1 -77.2 142.3 72.0 -0.4 -40.3 93 94 A S > - 0 0 50 -2,-0.2 3,-2.2 -6,-0.2 -32,-0.1 -0.986 44.8-121.9-143.9 146.3 71.4 1.7 -43.4 94 95 A P T 3 S+ 0 0 42 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.654 110.9 75.7 -60.6 -14.0 68.5 1.9 -45.9 95 96 A A T 3 S+ 0 0 82 2,-0.1 2,-0.1 -35,-0.0 -3,-0.0 0.771 87.8 73.2 -62.4 -29.9 71.3 1.1 -48.4 96 97 A L S < S- 0 0 38 -3,-2.2 2,-0.2 -36,-0.2 -4,-0.0 -0.477 71.8-158.5 -84.9 159.2 71.0 -2.5 -47.0 97 98 A Q >> - 0 0 77 -2,-0.1 4,-1.4 1,-0.1 3,-0.6 -0.791 37.4 -95.2-131.7 172.2 68.1 -4.9 -47.8 98 99 A I H 3> S+ 0 0 2 1,-0.2 4,-2.3 -2,-0.2 3,-0.2 0.887 125.9 58.5 -53.7 -40.7 66.4 -8.0 -46.4 99 100 A R H 3> S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 101.6 54.5 -56.3 -38.6 68.6 -9.9 -48.8 100 101 A T H <> S+ 0 0 48 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.880 108.8 47.9 -63.6 -40.1 71.7 -8.4 -47.0 101 102 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.929 112.3 47.2 -68.9 -47.2 70.5 -9.6 -43.6 102 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.869 112.2 50.0 -64.2 -39.9 69.8 -13.2 -44.7 103 104 A L H X S+ 0 0 69 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.842 110.1 52.2 -64.7 -34.6 73.1 -13.5 -46.5 104 105 A S H X S+ 0 0 40 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.886 109.8 47.2 -69.9 -41.6 74.8 -12.2 -43.4 105 106 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.903 111.8 51.6 -63.7 -43.3 73.1 -14.8 -41.2 106 107 A Q H X S+ 0 0 43 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.890 110.0 49.1 -59.8 -42.5 74.1 -17.5 -43.8 107 108 A A H >X S+ 0 0 54 -4,-2.0 4,-1.4 1,-0.2 3,-0.6 0.820 104.3 60.3 -66.6 -33.2 77.7 -16.3 -43.7 108 109 A L H 3< S+ 0 0 26 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 97.2 58.8 -64.7 -36.0 77.6 -16.4 -39.8 109 110 A L H 3< S+ 0 0 1 -4,-1.4 -1,-0.2 1,-0.2 -65,-0.2 0.768 110.8 43.2 -63.5 -27.3 76.9 -20.2 -39.9 110 111 A S H << S+ 0 0 60 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.726 119.9 42.9 -87.8 -26.3 80.1 -20.7 -41.8 111 112 A S S < S- 0 0 72 -4,-1.4 -1,-0.2 2,-0.0 2,-0.2 -0.666 72.1-177.6-125.9 76.5 82.2 -18.3 -39.7 112 113 A P - 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