==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GTP-BINDING PROTEIN 24-FEB-10 2X77 . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR J.R.FLEMING,A.DAWSON,W.N.HUNTER . 347 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 3 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 . 42 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 4 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 2 0 2 1 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 . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 W 0 0 173 0, 0.0 166,-0.1 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 131.9 29.6 0.3 14.3 2 5 A L + 0 0 177 165,-0.0 165,-0.0 2,-0.0 0, 0.0 0.885 360.0 51.4 -48.9 -73.5 29.9 2.9 11.5 3 6 A A S S- 0 0 23 1,-0.1 2,-0.2 2,-0.1 164,-0.1 -0.136 79.5-114.4 -70.8 159.5 30.3 6.4 13.0 4 7 A S > - 0 0 69 1,-0.1 4,-2.3 163,-0.0 -1,-0.1 -0.471 35.8-105.8 -78.6 168.0 32.7 7.7 15.6 5 8 A L H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.925 119.2 51.9 -63.6 -51.3 31.3 8.8 18.9 6 9 A K H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.865 110.3 50.9 -52.1 -40.8 31.7 12.5 18.3 7 10 A Q H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.933 111.1 48.1 -65.3 -48.0 29.9 12.1 15.0 8 11 A T H >< S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.955 115.5 44.1 -52.3 -53.9 27.1 10.3 16.7 9 12 A L H >< S+ 0 0 4 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.810 103.7 63.6 -68.1 -34.3 26.9 13.0 19.4 10 13 A G H 3< S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 88.5 72.5 -55.9 -30.1 27.1 16.0 17.0 11 14 A L T << S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.582 76.7 103.8 -59.1 -12.2 23.8 14.8 15.5 12 15 A L S < S- 0 0 7 -3,-1.6 2,-0.5 1,-0.1 48,-0.1 -0.513 92.1 -97.0 -77.7 140.9 22.1 16.1 18.6 13 16 A P > - 0 0 51 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.473 35.5-147.3 -60.5 112.6 20.1 19.4 18.3 14 17 A A T 3 S+ 0 0 87 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.0 0.745 93.7 54.8 -56.0 -34.7 22.8 21.9 19.7 15 18 A D T 3 S+ 0 0 154 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.184 94.1 84.2 -86.9 15.9 20.2 24.3 21.2 16 19 A R S < S- 0 0 70 -3,-2.0 2,-0.4 -4,-0.0 -1,-0.1 -0.945 74.0-146.0-120.5 107.2 18.7 21.3 23.2 17 20 A K - 0 0 178 -2,-0.5 2,-0.5 44,-0.1 44,-0.2 -0.589 14.3-152.5 -74.1 124.3 20.6 20.6 26.4 18 21 A I E -a 61 0A 4 42,-2.8 44,-3.4 -2,-0.4 2,-0.6 -0.885 8.7-163.9-109.9 125.0 20.6 16.9 27.2 19 22 A R E -a 62 0A 40 -2,-0.5 67,-2.2 65,-0.3 68,-1.5 -0.918 12.2-177.5-106.2 114.6 20.8 15.5 30.8 20 23 A V E -ab 63 87A 1 42,-3.4 44,-2.8 -2,-0.6 2,-0.6 -0.926 14.2-154.2-113.4 139.5 21.7 11.8 31.1 21 24 A L E -ab 64 88A 0 66,-2.5 68,-2.4 -2,-0.4 2,-0.6 -0.918 5.2-166.0-110.5 124.7 21.9 9.7 34.3 22 25 A M E +ab 65 89A 1 42,-4.0 44,-0.6 -2,-0.6 2,-0.2 -0.917 28.7 155.3-114.6 111.8 24.2 6.8 34.1 23 26 A L E +ab 66 90A 0 66,-2.2 68,-3.0 -2,-0.6 2,-0.3 -0.732 6.9 112.0-138.1 167.0 23.5 4.6 37.1 24 27 A G E -a 67 0A 0 42,-0.6 44,-2.4 -2,-0.2 68,-0.1 -0.879 64.6 -34.4 148.3-174.1 23.6 1.1 38.5 25 28 A L E > S-a 68 0A 10 66,-0.5 3,-1.3 -2,-0.3 5,-0.3 -0.324 71.4 -88.0 -71.6 153.2 25.4 -0.9 41.2 26 29 A D T 3 S+ 0 0 64 42,-0.7 -1,-0.1 1,-0.3 -3,-0.0 -0.240 115.2 30.6 -49.1 151.0 29.0 -0.3 42.1 27 30 A N T 3 S+ 0 0 101 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.610 80.9 117.4 71.6 18.3 31.4 -2.2 40.0 28 31 A A S < S- 0 0 2 -3,-1.3 66,-0.2 63,-0.1 64,-0.1 0.763 91.2-103.8 -83.8 -24.8 29.1 -2.2 36.9 29 32 A G S > S+ 0 0 14 -4,-0.2 4,-1.9 62,-0.1 5,-0.2 0.555 75.4 139.5 117.0 24.4 31.7 -0.2 34.9 30 33 A K H >> S+ 0 0 6 -5,-0.3 4,-1.7 1,-0.2 3,-0.7 0.982 73.2 43.3 -64.7 -57.8 30.1 3.2 35.1 31 34 A T H 3> S+ 0 0 50 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.868 112.6 55.2 -48.9 -46.8 33.2 5.3 35.7 32 35 A S H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.834 103.3 54.5 -62.6 -33.9 35.1 3.3 33.1 33 36 A I H < S+ 0 0 149 -4,-1.3 3,-1.9 2,-0.2 -1,-0.2 0.829 110.2 59.1 -82.9 -39.2 36.6 7.5 30.4 36 39 A R H 3< S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.775 93.5 68.3 -63.1 -22.5 36.1 5.0 27.5 37 40 A L T 3< S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.623 91.2-148.0 -69.4 -13.5 34.0 7.7 25.8 38 41 A H < + 0 0 137 -3,-1.9 -3,-0.1 1,-0.1 -2,-0.1 0.891 55.4 130.3 43.9 52.3 37.1 9.8 25.2 39 42 A L - 0 0 13 -5,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.324 69.1 -93.3-114.5 -0.9 35.0 13.0 25.5 40 43 A G S S+ 0 0 54 -5,-0.2 -1,-0.4 -6,-0.1 2,-0.1 -0.854 74.6 9.9 124.3-159.7 37.2 14.9 28.1 41 44 A D - 0 0 139 -2,-0.3 2,-0.6 16,-0.1 16,-0.5 -0.364 49.2-145.5 -67.6 132.3 37.4 15.5 31.8 42 45 A V - 0 0 27 14,-0.1 2,-0.6 -2,-0.1 14,-0.2 -0.873 23.5-154.3 -86.4 119.4 35.4 13.5 34.4 43 46 A V E -C 55 0A 78 12,-3.4 12,-1.8 -2,-0.6 2,-0.4 -0.904 2.4-151.6-107.0 121.9 34.7 15.9 37.2 44 47 A T E +C 54 0A 85 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.750 23.5 160.5 -88.2 131.9 34.0 14.7 40.8 45 48 A T E -C 53 0A 57 8,-2.2 8,-2.3 -2,-0.4 183,-0.0 -0.886 36.0-131.9-136.9 174.8 31.8 16.6 43.2 46 49 A V + 0 0 86 -2,-0.3 6,-0.1 6,-0.2 3,-0.1 -0.889 21.9 175.9-130.3 92.6 29.9 15.8 46.4 47 50 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.604 75.9 9.9 -78.4 -9.4 26.4 17.2 46.1 48 51 A T S > S- 0 0 46 3,-0.4 3,-1.5 30,-0.1 30,-0.0 -0.945 101.0 -74.9-159.0 150.3 25.5 15.6 49.5 49 52 A V T 3 S+ 0 0 130 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.211 116.7 14.5 -48.9 128.7 27.4 14.0 52.3 50 53 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 26,-0.1 -1,-0.2 0.668 98.8 110.8 79.6 17.6 28.5 10.5 51.3 51 54 A V < - 0 0 13 -3,-1.5 2,-0.7 2,-0.0 -3,-0.4 -0.987 49.8-159.1-128.4 123.2 27.9 10.6 47.6 52 55 A N - 0 0 90 -2,-0.4 2,-0.5 -6,-0.1 15,-0.3 -0.917 18.2-170.0 -96.9 106.6 30.6 10.7 44.9 53 56 A L E -C 45 0A 12 -8,-2.3 -8,-2.2 -2,-0.7 2,-0.4 -0.917 4.6-161.6-100.7 122.0 29.0 12.2 41.7 54 57 A E E -CD 44 65A 25 11,-2.6 11,-2.9 -2,-0.5 2,-0.4 -0.867 8.9-173.3-104.9 137.1 30.9 12.0 38.5 55 58 A T E -CD 43 64A 30 -12,-1.8 -12,-3.4 -2,-0.4 2,-0.5 -0.999 13.8-174.8-133.3 134.2 30.0 14.3 35.7 56 59 A L E - D 0 63A 1 7,-1.7 7,-2.6 -2,-0.4 2,-0.5 -0.996 13.0-165.7-126.0 117.6 31.3 14.5 32.1 57 60 A Q E + D 0 62A 112 -16,-0.5 2,-0.4 -2,-0.5 5,-0.2 -0.938 10.7 174.9-110.3 121.5 29.9 17.4 30.1 58 61 A Y E > - D 0 61A 36 3,-3.4 3,-1.8 -2,-0.5 2,-0.2 -0.882 59.0 -58.6-130.8 107.0 30.3 17.4 26.3 59 62 A K T 3 S- 0 0 137 -2,-0.4 -49,-0.0 1,-0.3 -42,-0.0 -0.455 120.7 -13.3 59.6-124.4 28.6 20.2 24.3 60 63 A N T 3 S+ 0 0 24 -2,-0.2 -42,-2.8 -48,-0.1 2,-0.5 0.578 123.6 89.7 -80.0 -6.7 24.8 20.2 25.0 61 64 A I E < -aD 18 58A 4 -3,-1.8 -3,-3.4 -44,-0.2 2,-0.4 -0.800 54.0-172.3-108.2 127.2 25.1 16.8 26.6 62 65 A S E -aD 19 57A 15 -44,-3.4 -42,-3.4 -2,-0.5 2,-0.5 -0.931 6.7-161.0-119.5 132.0 25.7 15.9 30.2 63 66 A F E -aD 20 56A 1 -7,-2.6 -7,-1.7 -2,-0.4 2,-0.4 -0.951 7.6-166.6-110.3 124.3 26.4 12.5 31.9 64 67 A E E -aD 21 55A 28 -44,-2.8 -42,-4.0 -2,-0.5 2,-0.4 -0.923 5.6-170.6-114.2 132.5 25.9 12.0 35.6 65 68 A V E +aD 22 54A 1 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.3 -0.981 17.4 145.0-127.1 126.3 27.2 8.9 37.5 66 69 A W E -a 23 0A 6 -44,-0.6 -42,-0.6 -2,-0.4 2,-0.2 -0.973 44.8-102.2-150.7 161.3 26.7 7.6 41.0 67 70 A D E -a 24 0A 76 -15,-0.3 2,-0.3 -2,-0.3 -42,-0.2 -0.564 30.6-160.8 -92.1 142.6 26.4 4.2 42.5 68 71 A L E +a 25 0A 2 -44,-2.4 -42,-0.7 -2,-0.2 38,-0.1 -0.758 61.5 41.8-115.0 158.8 23.1 2.6 43.6 69 72 A G - 0 0 10 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.829 64.8-175.9 78.4 31.4 22.3 -0.3 45.9 70 73 A G - 0 0 49 -3,-0.2 -1,-0.2 1,-0.2 5,-0.0 -0.394 27.9-141.3 -52.4 131.4 24.7 0.4 48.8 71 74 A Q S S+ 0 0 189 -2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.757 94.0 39.7 -62.3 -24.7 24.5 -2.3 51.4 72 75 A T S S+ 0 0 136 2,-0.1 -2,-0.1 0, 0.0 -1,-0.0 -0.908 102.0 34.1-124.5 152.1 24.8 0.7 53.8 73 76 A G S S- 0 0 62 -2,-0.3 2,-0.2 2,-0.1 -23,-0.0 0.076 87.8 -77.4 93.7 155.4 23.2 4.1 53.7 74 77 A V S S- 0 0 139 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.549 72.8 -71.9 -74.7 156.0 19.9 5.2 52.4 75 78 A R - 0 0 72 -2,-0.2 -1,-0.2 1,-0.1 -7,-0.1 -0.239 68.3 -93.0 -37.3 131.6 19.7 5.5 48.6 76 79 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.398 59.2 176.5 -58.8 133.5 21.8 8.5 47.7 77 80 A Y + 0 0 122 -3,-0.1 2,-0.3 -2,-0.1 4,-0.1 -0.977 17.3 161.3-138.6 146.1 19.6 11.5 47.5 78 81 A W - 0 0 35 -2,-0.3 4,-0.1 -30,-0.0 -30,-0.1 -0.918 49.4 -73.6-156.8 161.4 19.8 15.3 46.9 79 82 A R S S- 0 0 57 -2,-0.3 2,-2.1 1,-0.2 172,-0.1 -0.169 109.0 -7.6 -60.1 143.5 17.4 18.0 45.9 80 83 A a S S+ 0 0 37 170,-0.3 2,-4.3 1,-0.1 -1,-0.2 -0.656 84.3 140.5 78.1 -76.4 16.2 18.1 42.3 81 84 A Y S S+ 0 0 15 -2,-2.1 -1,-0.1 1,-0.3 -2,-0.1 -0.030 75.0 40.6 13.2 -20.8 18.7 15.4 41.2 82 85 A F S > S+ 0 0 3 -2,-4.3 3,-0.9 -4,-0.1 -1,-0.3 0.329 86.2 123.4-109.0 -1.6 16.2 13.7 38.9 83 86 A S T 3 S+ 0 0 43 1,-0.2 -2,-0.1 33,-0.0 33,-0.1 -0.406 80.0 2.6 -71.8 138.7 14.6 16.9 37.4 84 87 A D T 3 S+ 0 0 133 1,-0.2 2,-0.6 31,-0.1 -65,-0.3 0.857 82.2 168.6 56.0 43.3 14.7 17.3 33.6 85 88 A T < - 0 0 13 -3,-0.9 -1,-0.2 30,-0.6 -65,-0.2 -0.767 19.4-173.5 -81.1 119.6 16.4 13.9 32.9 86 89 A D + 0 0 32 -67,-2.2 34,-2.3 -2,-0.6 2,-0.3 0.872 67.1 2.1 -80.6 -40.0 16.2 13.1 29.2 87 90 A A E -be 20 120A 1 -68,-1.5 -66,-2.5 32,-0.2 2,-0.4 -0.987 53.0-147.3-144.4 157.8 17.6 9.5 29.6 88 91 A V E -be 21 121A 2 32,-2.9 34,-2.6 -2,-0.3 2,-0.5 -0.986 10.0-163.0-118.7 133.3 18.8 6.9 32.0 89 92 A I E -be 22 122A 1 -68,-2.4 -66,-2.2 -2,-0.4 2,-0.6 -0.992 12.2-159.5-110.5 116.0 21.5 4.5 31.0 90 93 A Y E -be 23 123A 0 32,-2.8 34,-2.1 -2,-0.5 2,-0.5 -0.913 6.9-156.3-103.7 119.3 21.4 1.7 33.5 91 94 A V E - e 0 124A 1 -68,-3.0 -66,-0.5 -2,-0.6 2,-0.4 -0.826 11.8-177.2-104.7 131.7 24.6 -0.3 33.6 92 95 A V E - e 0 125A 6 32,-2.6 34,-2.5 -2,-0.5 2,-0.9 -0.931 30.7-124.4-123.4 146.2 24.9 -3.9 34.7 93 96 A D E > - e 0 126A 11 -2,-0.4 3,-1.6 3,-0.2 34,-0.2 -0.828 21.9-152.0 -91.4 111.1 28.0 -6.0 35.1 94 97 A S T 3 S+ 0 0 0 32,-2.2 40,-2.7 -2,-0.9 -1,-0.1 0.550 91.4 54.8 -68.8 -6.6 27.0 -8.9 32.9 95 98 A T T 3 S+ 0 0 31 38,-0.2 2,-1.7 1,-0.1 3,-0.3 0.626 85.7 86.0 -93.0 -20.9 29.2 -11.3 35.0 96 99 A D < + 0 0 33 -3,-1.6 3,-0.4 1,-0.2 -3,-0.2 -0.510 40.4 151.1 -89.0 74.3 27.6 -10.5 38.4 97 100 A R > + 0 0 105 -2,-1.7 3,-1.5 1,-0.2 4,-0.5 0.865 69.8 64.4 -68.0 -40.0 24.7 -12.9 38.4 98 101 A D T 3 S+ 0 0 161 -3,-0.3 -1,-0.2 1,-0.3 3,-0.2 0.803 111.5 34.7 -48.9 -38.4 24.9 -13.0 42.2 99 102 A R T 3> S+ 0 0 54 -3,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.278 88.3 100.8-105.7 10.4 24.0 -9.3 42.4 100 103 A M H <> S+ 0 0 3 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.884 78.6 54.8 -70.6 -32.7 21.6 -9.2 39.4 101 104 A G H > S+ 0 0 45 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.842 110.0 47.9 -66.6 -34.4 18.4 -9.3 41.6 102 105 A V H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.858 108.6 53.7 -72.4 -40.2 19.7 -6.3 43.5 103 106 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 110.9 46.8 -58.2 -44.2 20.4 -4.5 40.2 104 107 A K H X S+ 0 0 78 -4,-2.4 4,-3.5 38,-0.2 5,-0.3 0.967 109.8 54.3 -57.2 -52.5 16.8 -5.3 39.2 105 108 A H H X S+ 0 0 109 -4,-2.6 4,-1.2 1,-0.3 -2,-0.2 0.917 112.0 42.8 -52.6 -47.4 15.6 -4.0 42.5 106 109 A E H X S+ 0 0 21 -4,-2.8 4,-1.5 2,-0.2 -1,-0.3 0.824 112.5 53.3 -71.6 -32.1 17.5 -0.7 42.0 107 110 A L H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.968 110.3 49.3 -58.2 -51.8 16.3 -0.4 38.3 108 111 A Y H 3X S+ 0 0 75 -4,-3.5 4,-0.6 1,-0.2 -2,-0.2 0.745 107.2 53.8 -60.1 -26.8 12.8 -0.9 39.5 109 112 A A H 3< S+ 0 0 15 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.767 109.0 48.8 -87.2 -23.1 13.2 1.8 42.2 110 113 A L H X< S+ 0 0 0 -4,-1.5 3,-1.7 -3,-0.5 -2,-0.2 0.897 106.0 58.6 -67.1 -41.9 14.4 4.3 39.6 111 114 A L H 3< S+ 0 0 36 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.666 93.6 65.1 -72.8 -13.8 11.4 3.5 37.3 112 115 A D T 3< S+ 0 0 115 -4,-0.6 2,-0.5 -3,-0.1 -1,-0.3 0.273 80.2 102.4 -91.1 12.0 8.8 4.4 39.8 113 116 A E < - 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