==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-AUG-07 2R0J . COMPND 2 MOLECULE: UBIQUITIN CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,J.LEW,Y.H.LIN,A.HASSANALI,I.KOZIERADZKI,Y.ZHAO . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 63.9 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 . 27 18.4 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 1.4 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 . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 1 1 0 1 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 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 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 2 A I 0 0 125 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.9 39.0 29.9 28.3 2 3 A P > - 0 0 57 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.254 360.0-126.0 -52.8 138.2 37.0 30.5 31.6 3 4 A R H > S+ 0 0 217 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 109.2 56.4 -59.5 -39.2 35.6 27.3 32.8 4 5 A R H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.900 106.6 50.2 -57.6 -38.9 32.1 28.9 33.0 5 6 A I H > S+ 0 0 3 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 109.4 50.4 -70.0 -40.6 32.2 29.9 29.3 6 7 A T H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.930 111.8 48.8 -55.3 -47.3 33.2 26.4 28.3 7 8 A K H X S+ 0 0 155 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.945 114.1 44.9 -57.9 -52.8 30.3 25.0 30.3 8 9 A E H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.910 112.5 52.2 -59.0 -42.5 27.8 27.5 28.8 9 10 A T H X S+ 0 0 26 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.943 111.4 45.4 -63.5 -49.8 29.1 26.9 25.3 10 11 A Q H X S+ 0 0 114 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.876 111.5 52.0 -58.0 -44.3 28.8 23.1 25.5 11 12 A N H X S+ 0 0 58 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.909 112.0 46.4 -61.7 -44.2 25.3 23.3 27.0 12 13 A L H < S+ 0 0 4 -4,-2.4 10,-0.3 -5,-0.2 -1,-0.2 0.858 116.8 44.5 -68.6 -32.7 24.1 25.6 24.1 13 14 A A H < S+ 0 0 67 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.903 123.8 32.8 -76.7 -39.6 25.7 23.4 21.5 14 15 A N H < S+ 0 0 116 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.751 133.9 22.6 -88.6 -30.8 24.6 20.1 22.9 15 16 A E S < S+ 0 0 128 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.446 80.0 175.7-135.2 55.3 21.2 20.9 24.4 16 17 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.334 38.7-103.4 -64.3 152.1 20.0 24.1 22.6 17 18 A P > - 0 0 5 0, 0.0 3,-2.1 0, 0.0 -2,-0.0 -0.386 51.8 -86.0 -64.3 147.8 16.6 25.3 23.5 18 19 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.384 117.0 16.1 -51.6 135.2 14.0 24.6 20.8 19 20 A G T 3 S+ 0 0 27 1,-0.2 18,-2.8 -3,-0.1 2,-0.4 0.417 110.6 97.7 83.9 -2.6 14.1 27.3 18.1 20 21 A I E < +A 36 0A 3 -3,-2.1 2,-0.4 16,-0.2 16,-0.2 -0.982 44.2 178.9-122.6 132.6 17.5 28.6 19.3 21 22 A M E +A 35 0A 113 14,-2.6 14,-2.4 -2,-0.4 2,-0.4 -0.995 3.1 179.4-124.8 138.8 21.0 28.0 18.0 22 23 A A E +A 34 0A 8 -2,-0.4 12,-0.2 -10,-0.3 30,-0.0 -0.957 7.9 167.0-139.3 117.6 24.1 29.7 19.5 23 24 A V E -A 33 0A 76 10,-2.5 10,-3.2 -2,-0.4 -2,-0.0 -0.999 34.0-113.7-135.6 135.2 27.6 28.9 18.2 24 25 A P E -A 32 0A 39 0, 0.0 8,-0.3 0, 0.0 5,-0.1 -0.244 33.0-107.2 -62.6 152.3 30.9 30.7 18.8 25 26 A V E > -A 28 0A 39 6,-3.2 3,-2.1 3,-0.7 6,-0.2 -0.640 54.1 -87.8 -75.3 135.3 32.7 32.6 16.1 26 27 A P T 3 S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.253 108.6 -1.5 -48.5 131.0 35.8 30.6 15.1 27 28 A E T 3 S+ 0 0 204 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.531 116.1 89.3 57.5 16.2 38.8 31.4 17.2 28 29 A N E X +A 25 0A 95 -3,-2.1 3,-2.0 3,-0.2 -3,-0.7 -0.697 51.6 179.2-137.5 79.9 36.9 34.1 19.1 29 30 A Y E 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.652 77.2 59.2 -63.6 -17.9 35.3 32.2 22.1 30 31 A R E 3 S+ 0 0 42 24,-0.1 25,-2.9 -6,-0.1 2,-0.4 0.543 96.4 74.5 -87.6 -10.0 33.6 35.4 23.5 31 32 A H E < - B 0 54A 48 -3,-2.0 -6,-3.2 -6,-0.2 2,-0.4 -0.901 61.4-173.7-111.2 136.0 31.6 36.0 20.3 32 33 A F E -AB 24 53A 1 21,-3.0 21,-2.2 -2,-0.4 2,-0.5 -0.959 21.3-143.8-128.9 142.2 28.6 34.0 19.3 33 34 A N E -AB 23 52A 74 -10,-3.2 -10,-2.5 -2,-0.4 2,-0.4 -0.905 29.4-166.7 -97.2 126.8 26.3 33.8 16.2 34 35 A I E -AB 22 51A 3 17,-2.9 17,-2.5 -2,-0.5 2,-0.4 -0.890 15.5-165.0-120.1 142.2 22.7 33.1 17.3 35 36 A L E -AB 21 50A 66 -14,-2.4 -14,-2.6 -2,-0.4 2,-0.4 -1.000 8.4-175.1-122.5 128.9 19.7 32.1 15.3 36 37 A I E -AB 20 49A 0 13,-2.4 13,-3.1 -2,-0.4 2,-0.3 -0.994 20.4-134.7-121.9 127.7 16.2 32.4 16.9 37 38 A N E - B 0 48A 78 -18,-2.8 11,-0.2 -2,-0.4 8,-0.1 -0.520 30.4-105.7 -74.3 138.2 13.1 31.2 15.1 38 39 A G - 0 0 5 9,-2.9 8,-0.7 6,-0.3 -1,-0.1 -0.485 45.9-108.9 -60.2 133.5 10.2 33.5 15.1 39 40 A P > - 0 0 24 0, 0.0 3,-1.0 0, 0.0 6,-0.3 -0.302 32.4-102.2 -68.0 145.9 7.6 32.0 17.5 40 41 A D T 3 S+ 0 0 135 1,-0.2 4,-0.0 5,-0.1 -3,-0.0 -0.316 106.8 33.8 -54.9 145.8 4.4 30.4 16.2 41 42 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.699 102.5 94.1 84.8 10.7 1.3 32.6 16.6 42 43 A T S X S- 0 0 14 -3,-1.0 3,-1.7 -4,-0.1 -1,-0.3 -0.914 90.9-107.3-125.7 167.5 3.3 35.8 16.1 43 44 A P T 3 S+ 0 0 7 0, 0.0 98,-0.2 0, 0.0 -5,-0.1 0.664 119.1 63.9 -65.8 -13.5 4.0 37.9 12.9 44 45 A Y T > S+ 0 0 2 -5,-0.2 3,-2.5 65,-0.2 -6,-0.3 0.507 72.5 130.6 -88.7 -1.5 7.5 36.5 13.1 45 46 A E T < S+ 0 0 102 -3,-1.7 -5,-0.1 -6,-0.3 3,-0.1 -0.199 74.6 17.2 -54.7 131.0 6.3 32.9 12.5 46 47 A G T 3 S+ 0 0 54 -8,-0.7 -1,-0.3 1,-0.4 2,-0.2 0.224 102.8 110.5 92.2 -15.5 8.4 31.3 9.8 47 48 A G < - 0 0 2 -3,-2.5 -9,-2.9 -8,-0.1 2,-0.4 -0.504 57.6-146.3 -90.4 157.2 11.1 33.8 10.0 48 49 A T E -B 37 0A 41 97,-2.4 2,-0.5 -11,-0.2 -11,-0.2 -0.996 14.0-150.4-123.9 131.3 14.6 33.1 11.3 49 50 A Y E -B 36 0A 0 -13,-3.1 -13,-2.4 -2,-0.4 2,-0.4 -0.838 2.4-146.4-109.0 127.5 16.4 35.9 13.2 50 51 A K E +B 35 0A 119 -2,-0.5 19,-3.6 -15,-0.2 20,-1.7 -0.739 25.2 169.8 -90.0 133.2 20.2 36.4 13.2 51 52 A L E -BC 34 68A 1 -17,-2.5 -17,-2.9 -2,-0.4 2,-0.4 -0.912 20.4-146.6-130.4 162.0 21.7 37.9 16.4 52 53 A E E -BC 33 67A 40 15,-2.3 15,-2.1 -2,-0.3 2,-0.4 -0.975 11.0-166.2-127.6 155.5 25.2 38.2 17.7 53 54 A L E -BC 32 66A 1 -21,-2.2 -21,-3.0 -2,-0.4 2,-0.4 -0.995 4.1-165.6-140.0 141.9 26.4 38.1 21.3 54 55 A F E -BC 31 65A 73 11,-2.5 11,-3.1 -2,-0.4 -23,-0.2 -0.998 14.5-146.7-127.9 134.4 29.7 39.1 23.0 55 56 A L - 0 0 0 -25,-2.9 -2,-0.0 -2,-0.4 -50,-0.0 -0.869 26.3-143.8 -93.5 103.9 30.8 38.1 26.5 56 57 A P > - 0 0 14 0, 0.0 3,-2.2 0, 0.0 6,-0.1 -0.207 27.9-101.6 -64.6 160.6 32.9 41.2 27.7 57 58 A E T 3 S+ 0 0 153 1,-0.3 -2,-0.0 3,-0.1 5,-0.0 0.819 122.0 58.0 -59.3 -26.7 35.9 40.4 29.9 58 59 A Q T >> S+ 0 0 127 5,-0.1 4,-1.7 2,-0.1 3,-1.1 0.354 87.9 153.1 -89.5 8.3 34.0 41.4 33.1 59 60 A Y T <4 + 0 0 17 -3,-2.2 -4,-0.0 1,-0.3 0, 0.0 -0.600 53.4 32.8 -61.5 139.6 31.3 38.7 32.4 60 61 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 36,-0.1 -0.966 121.7 50.2 -91.9 5.1 29.6 37.3 34.4 61 62 A M T <4 S+ 0 0 132 -3,-1.1 -2,-0.3 33,-0.1 -3,-0.1 0.865 119.7 43.1 -63.9 -35.8 29.5 40.3 36.7 62 63 A E S < S- 0 0 102 -4,-1.7 31,-0.1 -6,-0.1 27,-0.1 -0.822 101.1-103.4-106.0 152.1 28.5 42.3 33.7 63 64 A P - 0 0 28 0, 0.0 -5,-0.1 0, 0.0 25,-0.1 -0.343 33.2 -99.3 -73.5 158.9 25.9 41.0 31.1 64 65 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.295 38.8-125.1 -60.9 156.8 26.5 39.6 27.6 65 66 A K E +C 54 0A 135 -11,-3.1 -11,-2.5 2,-0.0 2,-0.4 -0.947 37.1 177.1-112.1 129.7 26.0 42.2 25.0 66 67 A V E +C 53 0A 19 -2,-0.6 17,-0.6 -13,-0.2 2,-0.3 -0.972 9.3 169.3-138.6 140.9 23.5 41.1 22.4 67 68 A R E -CD 52 82A 132 -15,-2.1 -15,-2.3 -2,-0.4 2,-0.3 -0.993 33.8-107.3-149.8 152.4 21.8 42.6 19.3 68 69 A F E -C 51 0A 6 13,-2.9 -17,-0.3 -2,-0.3 4,-0.1 -0.623 19.4-174.5 -78.2 144.5 19.7 41.7 16.3 69 70 A L + 0 0 88 -19,-3.6 2,-0.4 -2,-0.3 -18,-0.2 0.647 67.8 77.5-106.4 -30.3 21.3 41.5 12.9 70 71 A T S S- 0 0 13 -20,-1.7 75,-0.1 11,-0.1 -21,-0.1 -0.669 90.7-112.9 -84.9 136.7 18.0 40.8 11.1 71 72 A K + 0 0 97 -2,-0.4 2,-0.3 73,-0.2 73,-0.1 -0.378 46.0 171.2 -68.1 142.1 15.7 43.8 10.5 72 73 A I - 0 0 12 6,-0.2 2,-0.8 2,-0.1 9,-0.1 -0.995 37.6-131.1-157.4 143.6 12.5 43.5 12.5 73 74 A Y + 0 0 30 -2,-0.3 5,-0.1 64,-0.2 68,-0.1 -0.900 54.9 133.1-104.3 106.9 9.4 45.6 13.4 74 75 A H B > -E 77 0B 0 -2,-0.8 3,-1.3 3,-0.5 49,-0.2 -0.981 60.8-126.5-156.8 138.5 9.1 45.2 17.2 75 76 A P T 3 S+ 0 0 1 0, 0.0 48,-0.3 0, 0.0 47,-0.1 0.680 109.5 45.1 -67.6 -18.6 8.5 47.8 20.0 76 77 A N T 3 S+ 0 0 4 32,-0.1 8,-3.4 46,-0.1 2,-0.4 0.281 103.3 70.4-109.7 4.5 11.6 46.6 22.1 77 78 A I B < S-EF 74 83B 7 -3,-1.3 -3,-0.5 6,-0.2 6,-0.2 -0.992 71.8-152.1-126.7 121.2 14.1 46.3 19.2 78 79 A D > - 0 0 81 4,-2.0 3,-2.2 -2,-0.4 -6,-0.2 -0.220 34.9 -89.4 -92.1-177.7 15.4 49.5 17.5 79 80 A K T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.685 126.9 52.6 -64.7 -21.0 16.6 50.2 13.9 80 81 A L T 3 S- 0 0 144 2,-0.1 -1,-0.3 -9,-0.0 -2,-0.0 0.152 122.9-104.1 -97.6 15.7 20.2 49.3 14.9 81 82 A G < + 0 0 8 -3,-2.2 -13,-2.9 1,-0.2 2,-0.2 0.554 66.7 157.2 74.6 11.8 19.1 45.9 16.4 82 83 A R B -D 67 0A 46 -15,-0.2 -4,-2.0 1,-0.1 2,-0.7 -0.434 34.1-140.9 -79.2 133.6 19.4 47.1 20.0 83 84 A I B -F 77 0B 13 -17,-0.6 2,-1.3 -6,-0.2 -6,-0.2 -0.872 2.3-150.4-103.8 118.7 17.3 45.1 22.4 84 85 A C + 0 0 32 -8,-3.4 2,-0.4 -2,-0.7 32,-0.1 -0.665 44.2 138.4 -87.4 96.3 15.5 46.9 25.3 85 86 A L > - 0 0 21 -2,-1.3 3,-2.0 1,-0.1 4,-0.2 -0.986 51.3-139.4-144.9 125.2 15.4 44.2 27.9 86 87 A D G > >S+ 0 0 69 -2,-0.4 5,-2.5 1,-0.3 3,-1.7 0.820 99.5 59.3 -59.6 -32.5 16.0 44.7 31.6 87 88 A I G 3 5S+ 0 0 37 1,-0.3 -1,-0.3 4,-0.3 6,-0.2 0.587 100.7 57.9 -71.5 -10.9 18.0 41.6 32.2 88 89 A L G < 5S+ 0 0 23 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.345 123.0 19.6 -90.3 0.4 20.6 42.8 29.7 89 90 A K T X 5S- 0 0 81 -3,-1.7 3,-1.6 -4,-0.2 -3,-0.1 0.003 133.2 -7.7-135.3-115.4 21.0 46.0 31.8 90 91 A D T 3 5S+ 0 0 161 1,-0.3 -3,-0.2 -2,-0.1 -4,-0.1 0.652 128.6 54.0 -78.8 -13.5 20.3 46.7 35.4 91 92 A K T 3 - 0 0 46 -6,-0.2 3,-2.1 -31,-0.1 -32,-0.1 -0.962 43.5-116.0-144.5 158.0 23.0 39.3 37.6 94 95 A P T 3 S+ 0 0 47 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.620 111.9 70.6 -64.4 -13.5 25.8 36.6 37.5 95 96 A A T 3 S+ 0 0 91 2,-0.1 2,-0.1 -35,-0.0 -3,-0.0 0.688 91.6 71.7 -72.8 -20.9 23.3 34.0 38.7 96 97 A L S < S- 0 0 46 -3,-2.1 2,-0.3 -36,-0.1 3,-0.1 -0.246 73.1-161.1 -81.7 173.2 21.6 34.4 35.2 97 98 A Q > - 0 0 73 1,-0.1 4,-1.9 -2,-0.1 3,-0.5 -0.950 36.0 -88.1-150.8 178.5 23.3 32.9 32.1 98 99 A I H > S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.887 122.3 57.5 -60.3 -43.9 23.4 33.1 28.4 99 100 A R H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.868 105.8 51.0 -55.3 -45.0 20.7 30.5 28.0 100 101 A T H > S+ 0 0 53 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.912 109.4 50.4 -59.0 -46.4 18.3 32.7 30.2 101 102 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 111.4 48.0 -60.4 -40.7 19.0 35.7 28.0 102 103 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.903 112.1 48.9 -70.1 -40.0 18.3 33.7 24.8 103 104 A L H X S+ 0 0 76 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.902 111.4 50.7 -64.0 -37.4 15.0 32.3 26.2 104 105 A S H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.926 111.0 47.6 -65.1 -45.9 14.0 35.8 27.3 105 106 A I H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.931 110.7 52.1 -58.3 -49.2 14.7 37.2 23.8 106 107 A Q H X S+ 0 0 42 -4,-2.7 4,-0.6 1,-0.2 3,-0.3 0.927 112.7 44.9 -53.0 -40.7 12.7 34.4 22.2 107 108 A A H >X S+ 0 0 54 -4,-2.4 4,-2.1 1,-0.2 3,-0.8 0.807 103.2 64.4 -76.5 -28.2 9.8 35.1 24.5 108 109 A L H 3< S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.860 94.0 61.7 -59.4 -34.1 10.1 38.9 23.9 109 110 A L H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.801 114.1 34.4 -60.7 -31.5 9.2 38.0 20.3 110 111 A S H << S+ 0 0 67 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.650 125.7 39.8 -90.6 -24.4 5.8 36.6 21.7 111 112 A S S < S- 0 0 67 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.1 -0.646 76.0-173.6-128.9 68.8 5.3 39.1 24.5 112 113 A P - 0 0 37 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.380 15.6-147.5 -59.5 151.1 6.4 42.6 23.3 113 114 A E > - 0 0 90 1,-0.1 3,-1.4 -5,-0.0 10,-0.1 -0.804 12.9-174.0-117.0 82.2 6.3 45.3 26.0 114 115 A P T 3 S+ 0 0 37 0, 0.0 6,-0.2 0, 0.0 13,-0.1 0.547 76.6 61.1 -65.0 1.5 5.4 48.6 24.2 115 116 A D T 3 S+ 0 0 117 1,-0.1 9,-0.0 12,-0.0 -39,-0.0 0.681 84.7 75.7 -95.0 -16.0 6.0 50.8 27.4 116 117 A D S < S+ 0 0 70 -3,-1.4 -1,-0.1 -32,-0.1 -40,-0.1 0.856 76.3 78.1 -66.0 -38.9 9.7 50.1 28.1 117 118 A P - 0 0 29 0, 0.0 3,-0.3 0, 0.0 -41,-0.0 -0.398 69.8-144.9 -77.3 153.9 11.3 52.2 25.4 118 119 A L S S+ 0 0 178 1,-0.2 2,-0.3 -2,-0.0 -2,-0.0 0.932 89.6 7.2 -76.5 -47.0 11.6 56.0 26.0 119 120 A D S S+ 0 0 127 4,-0.0 2,-0.5 5,-0.0 -1,-0.2 -0.639 78.2 147.0-142.4 77.2 11.1 57.2 22.5 120 121 A S > - 0 0 20 -3,-0.3 4,-1.8 -2,-0.3 5,-0.1 -0.974 29.1-166.0-114.3 121.0 10.2 54.5 20.0 121 122 A K H > S+ 0 0 161 -2,-0.5 4,-1.6 2,-0.2 -1,-0.1 0.795 95.5 55.3 -68.5 -33.4 7.9 55.4 17.1 122 123 A V H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 104.9 51.3 -63.3 -50.4 7.5 51.7 16.5 123 124 A A H > S+ 0 0 2 -48,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.935 106.4 55.2 -52.6 -40.9 6.3 51.2 20.1 124 125 A E H X S+ 0 0 74 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.890 106.4 51.4 -60.3 -43.4 3.8 54.0 19.6 125 126 A H H X S+ 0 0 43 -4,-1.6 4,-2.8 2,-0.2 8,-0.3 0.939 110.4 47.9 -59.0 -47.8 2.3 52.2 16.6 126 127 A F H < S+ 0 0 13 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.888 112.2 50.6 -59.1 -38.0 1.9 48.9 18.6 127 128 A K H < S+ 0 0 93 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.915 115.4 42.0 -64.5 -44.9 0.3 50.9 21.4 128 129 A Q H < S+ 0 0 157 -4,-2.4 -2,-0.2 1,-0.3 2,-0.2 0.889 138.8 0.1 -76.5 -36.9 -2.2 52.6 19.0 129 130 A D X - 0 0 82 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.3 -0.611 62.9-179.6-155.2 87.7 -3.1 49.7 16.9 130 131 A K H > S+ 0 0 129 -3,-0.3 4,-2.1 -4,-0.3 5,-0.1 0.899 85.5 50.1 -58.3 -45.3 -1.4 46.4 17.7 131 132 A N H > S+ 0 0 105 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.883 113.3 48.0 -65.0 -37.8 -3.1 44.3 14.9 132 133 A D H >> S+ 0 0 66 2,-0.2 4,-1.1 1,-0.2 3,-0.7 0.926 109.1 51.0 -67.9 -45.9 -2.0 47.0 12.3 133 134 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.4 -8,-0.3 3,-0.4 0.883 104.5 61.8 -59.9 -35.3 1.6 47.2 13.6 134 135 A E H 3X S+ 0 0 31 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.803 96.1 59.2 -62.7 -30.4 1.6 43.3 13.2 135 136 A H H S+ 0 0 54 -4,-2.7 4,-3.4 1,-0.2 5,-0.6 0.895 107.7 56.4 -61.9 -38.0 9.1 42.6 7.2 141 142 A N H X5S+ 0 0 5 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.928 108.8 45.9 -54.8 -48.0 9.3 39.0 8.4 142 143 A K H <5S+ 0 0 146 -4,-1.8 4,-0.2 2,-0.2 -2,-0.2 0.912 121.2 38.3 -59.6 -42.8 8.7 37.7 4.9 143 144 A I H <5S+ 0 0 94 -4,-2.1 -2,-0.2 -5,-0.1 4,-0.2 0.931 130.1 21.6 -78.8 -50.8 11.2 40.1 3.3 144 145 A Y H <5S+ 0 0 83 -4,-3.4 -3,-0.2 -5,-0.2 -73,-0.2 0.679 122.7 45.1 -99.9 -23.7 14.0 40.2 5.8 145 146 A A S <