==== 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 HYDROLASE 15-JUL-09 3IB3 . COMPND 2 MOLECULE: COCE/NOND FAMILY HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.J.DOMAGALSKI,M.CHRUSZCZ,T.OSINSKI,T.SKARINA,O.ONOPRIYENKO, . 1103 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 721 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 237 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 2 0.2 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 . 107 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 6 1 1 2 0 0 4 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 2 2 0 6 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 . 10 6 4 2 2 6 7 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 216 0, 0.0 3,-0.7 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -70.3 -15.3 42.1 -24.2 2 5 A L T 3 + 0 0 72 1,-0.2 3,-0.1 2,-0.1 31,-0.0 0.359 360.0 76.1 -92.3 4.0 -18.1 39.7 -25.2 3 6 A L T 3 S- 0 0 52 1,-0.2 29,-0.4 28,-0.1 -1,-0.2 0.618 94.2-149.1 -81.1 -15.2 -19.6 42.6 -27.2 4 7 A G < - 0 0 23 -3,-0.7 29,-0.2 27,-0.2 -1,-0.2 -0.160 28.7 -61.5 73.6-171.9 -16.8 42.0 -29.9 5 8 A N > - 0 0 50 27,-2.9 3,-1.3 1,-0.1 -1,-0.1 -0.873 38.5-174.8-118.6 96.5 -15.3 44.7 -32.1 6 9 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 631,-0.1 0.727 84.4 69.2 -64.4 -16.4 -17.9 46.3 -34.4 7 10 A K T 3 S+ 0 0 168 25,-0.1 2,-0.1 -3,-0.1 630,-0.0 0.854 87.4 76.4 -64.4 -39.2 -14.9 48.1 -35.9 8 11 A L S < S- 0 0 38 -3,-1.3 2,-0.4 24,-0.1 24,-0.1 -0.414 79.1-129.2 -78.0 147.8 -13.4 45.0 -37.5 9 12 A T - 0 0 122 -2,-0.1 15,-0.2 1,-0.1 2,-0.1 -0.809 32.5-105.5 -93.3 146.8 -14.8 43.4 -40.7 10 13 A V - 0 0 47 -2,-0.4 2,-0.3 1,-0.1 15,-0.2 -0.335 29.9-116.3 -71.9 144.2 -15.6 39.7 -40.6 11 14 A T - 0 0 23 13,-2.5 2,-0.4 -2,-0.1 15,-0.3 -0.631 23.8-134.2 -80.6 136.6 -13.4 37.2 -42.3 12 15 A H > - 0 0 112 -2,-0.3 3,-2.6 1,-0.1 4,-0.5 -0.765 19.9-120.6 -93.0 141.4 -15.0 35.3 -45.1 13 16 A V G > S+ 0 0 12 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.742 110.5 52.3 -63.9 -29.9 -14.3 31.6 -45.0 14 17 A N G 3 S+ 0 0 96 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.320 94.9 71.7 -84.6 5.8 -12.5 31.4 -48.5 15 18 A E G < S+ 0 0 122 -3,-2.6 2,-0.3 2,-0.0 -1,-0.2 0.674 83.0 92.9 -76.7 -20.4 -10.2 34.2 -47.4 16 19 A V < - 0 0 5 -3,-0.7 2,-0.2 -4,-0.5 3,-0.1 -0.567 57.8-171.5 -90.5 135.9 -8.5 31.7 -45.1 17 20 A K - 0 0 132 -2,-0.3 22,-0.4 1,-0.2 -2,-0.0 -0.708 37.7 -64.8-119.6 163.0 -5.5 29.7 -46.3 18 21 A A S S+ 0 0 74 -2,-0.2 2,-0.2 20,-0.1 22,-0.2 -0.083 102.1 16.1 -40.8 139.4 -3.4 26.8 -45.0 19 22 A G E S+A 39 0A 32 20,-3.1 20,-2.5 -3,-0.1 2,-0.5 -0.615 111.8 4.5 96.4-149.7 -1.5 27.7 -41.8 20 23 A I E +A 38 0A 93 -2,-0.2 2,-0.4 18,-0.2 18,-0.2 -0.625 60.2 177.1 -84.5 123.2 -2.1 30.5 -39.3 21 24 A N E -A 37 0A 23 16,-2.5 16,-2.9 -2,-0.5 2,-0.6 -0.959 22.9-152.5-118.2 145.2 -4.9 32.8 -39.8 22 25 A H E +A 36 0A 124 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.990 34.3 179.3-104.8 120.1 -6.1 35.7 -37.7 23 26 A I E -A 35 0A 3 12,-2.7 12,-1.9 -2,-0.6 2,-0.6 -0.883 34.8-137.2-128.6 151.3 -9.7 35.9 -38.3 24 27 A V E -A 34 0A 15 -2,-0.3 -13,-2.5 10,-0.2 2,-0.3 -0.940 31.8-150.4-105.1 107.2 -12.7 38.0 -37.2 25 28 A V E -A 33 0A 0 8,-3.3 8,-2.1 -2,-0.6 2,-2.0 -0.586 16.2-127.8 -85.6 134.5 -15.6 35.6 -36.6 26 29 A D E -A 32 0A 51 -2,-0.3 6,-0.2 -15,-0.3 2,-0.2 -0.514 37.0-163.9 -75.1 73.2 -19.3 36.5 -37.1 27 30 A S E > -A 31 0A 6 -2,-2.0 4,-1.0 4,-1.8 78,-0.1 -0.428 19.0-149.2 -67.1 128.4 -20.3 35.3 -33.7 28 31 A V T 4 S+ 0 0 37 -2,-0.2 614,-0.3 1,-0.1 -1,-0.1 0.815 97.5 26.6 -59.6 -36.6 -24.0 34.8 -33.2 29 32 A Q T 4 S+ 0 0 5 75,-0.2 -1,-0.1 2,-0.1 613,-0.1 0.805 130.4 32.7-100.4 -32.4 -23.8 35.7 -29.5 30 33 A Y T 4 S- 0 0 7 74,-0.3 -2,-0.1 1,-0.3 2,-0.1 0.216 91.5-132.2-124.0 7.2 -20.8 37.9 -29.1 31 34 A G E < S+A 27 0A 0 -4,-1.0 -4,-1.8 608,-0.2 2,-0.9 -0.412 71.5 3.2 78.5-151.2 -20.4 40.0 -32.3 32 35 A N E S-A 26 0A 12 -29,-0.4 -27,-2.9 604,-0.3 2,-0.5 -0.680 76.1-176.4 -80.0 104.9 -17.1 40.4 -34.1 33 36 A Q E -A 25 0A 23 -8,-2.1 -8,-3.3 -2,-0.9 2,-0.2 -0.910 16.0-144.8-111.3 123.0 -14.7 38.2 -32.3 34 37 A E E +A 24 0A 103 -2,-0.5 25,-0.4 -10,-0.3 2,-0.3 -0.570 33.9 141.6 -80.9 149.4 -11.1 37.9 -33.1 35 38 A X E -A 23 0A 1 -12,-1.9 -12,-2.7 -2,-0.2 2,-0.4 -0.960 47.9 -94.6-171.6 174.5 -9.2 34.6 -32.8 36 39 A I E -AB 22 57A 10 21,-2.6 21,-2.5 -2,-0.3 2,-0.5 -0.846 29.2-165.5-106.8 136.2 -6.6 32.5 -34.4 37 40 A X E -AB 21 56A 4 -16,-2.9 -16,-2.5 -2,-0.4 2,-0.8 -0.983 7.3-159.4-122.3 118.7 -7.5 29.7 -36.9 38 41 A E E -AB 20 55A 57 17,-3.0 17,-2.4 -2,-0.5 2,-0.5 -0.891 18.4-161.0 -92.7 113.3 -4.9 27.1 -37.8 39 42 A K E +AB 19 54A 37 -20,-2.5 -20,-3.1 -2,-0.8 15,-0.2 -0.862 65.5 11.8-103.8 127.4 -6.2 25.7 -41.1 40 43 A D E S+ 0 0 40 13,-1.1 -1,-0.2 -2,-0.5 14,-0.2 0.919 74.8 166.9 69.4 48.3 -5.0 22.3 -42.3 41 44 A G E - B 0 53A 4 12,-2.3 12,-2.8 -3,-0.4 2,-0.4 -0.522 24.0-143.9 -70.4 157.5 -3.2 21.1 -39.2 42 45 A T E - B 0 52A 53 10,-0.2 2,-0.4 -2,-0.2 10,-0.2 -0.971 15.3-162.9-131.1 148.6 -2.4 17.4 -39.4 43 46 A V E - B 0 51A 3 8,-2.4 8,-2.5 -2,-0.4 2,-0.5 -0.999 21.3-134.5-130.4 126.0 -2.3 14.6 -36.9 44 47 A E E - B 0 50A 137 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.735 16.9-144.0 -90.5 127.4 -0.4 11.4 -37.7 45 48 A X > - 0 0 4 4,-3.6 3,-1.6 -2,-0.5 93,-0.1 -0.275 32.0 -97.1 -81.0 168.2 -2.1 8.1 -37.0 46 49 A R T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.863 124.7 47.8 -54.4 -38.5 -0.3 5.0 -35.8 47 50 A D T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.539 125.2 -97.7 -85.0 -5.7 -0.2 3.5 -39.3 48 51 A G S < S+ 0 0 35 -3,-1.6 -2,-0.1 1,-0.4 2,-0.0 0.206 76.4 139.9 110.6 -14.4 1.1 6.8 -40.9 49 52 A E - 0 0 47 -5,-0.1 -4,-3.6 1,-0.1 2,-0.5 -0.349 45.4-138.5 -61.1 133.5 -2.2 8.2 -42.2 50 53 A K E -B 44 0A 97 -6,-0.2 2,-0.4 73,-0.1 -6,-0.2 -0.914 12.2-160.4 -99.2 125.2 -2.5 11.9 -41.7 51 54 A L E -B 43 0A 0 -8,-2.5 -8,-2.4 -2,-0.5 2,-0.4 -0.858 16.7-133.8 -98.0 142.9 -5.8 13.3 -40.6 52 55 A Y E +BC 42 117A 43 65,-0.6 65,-2.5 -2,-0.4 2,-0.3 -0.808 27.6 176.9-103.4 141.8 -6.4 17.0 -41.3 53 56 A I E -BC 41 116A 0 -12,-2.8 -12,-2.3 -2,-0.4 -13,-1.1 -0.854 27.2-135.4-137.5 160.4 -7.8 19.4 -38.8 54 57 A N E -BC 39 115A 2 61,-2.1 61,-2.5 -2,-0.3 2,-0.5 -0.963 19.7-159.1-111.8 141.8 -8.8 23.1 -38.0 55 58 A I E -BC 38 114A 0 -17,-2.4 -17,-3.0 -2,-0.4 2,-0.5 -0.992 5.8-171.4-123.3 121.5 -7.8 24.7 -34.7 56 59 A F E +BC 37 113A 6 57,-2.8 57,-2.6 -2,-0.5 -19,-0.2 -0.972 20.3 161.5-111.3 129.8 -9.7 27.7 -33.4 57 60 A R E -B 36 0A 58 -21,-2.5 -21,-2.6 -2,-0.5 55,-0.2 -0.987 43.5 -87.5-151.0 156.0 -8.1 29.4 -30.3 58 61 A P - 0 0 8 0, 0.0 2,-2.1 0, 0.0 -23,-0.2 -0.263 39.8-120.6 -65.0 145.3 -8.1 32.5 -28.3 59 62 A N S S+ 0 0 85 -25,-0.4 2,-0.3 2,-0.0 -25,-0.0 -0.460 83.8 82.3 -84.8 64.7 -5.5 35.0 -29.5 60 63 A K S S- 0 0 103 -2,-2.1 2,-0.1 2,-0.1 0, 0.0 -0.991 84.2 -81.6-161.1 167.9 -3.8 34.9 -26.2 61 64 A D S S+ 0 0 143 -2,-0.3 2,-0.2 2,-0.0 90,-0.1 -0.334 75.5 65.7 -71.1 148.5 -1.4 33.2 -23.8 62 65 A G S S- 0 0 47 88,-0.2 2,-0.4 -2,-0.1 -2,-0.1 -0.511 76.9 -86.7 128.4 169.1 -2.5 30.2 -21.8 63 66 A K - 0 0 138 -2,-0.2 89,-0.3 90,-0.1 88,-0.1 -0.931 45.5-164.8-112.2 138.8 -3.6 26.7 -22.1 64 67 A F E -d 152 0A 16 87,-2.8 89,-1.9 -2,-0.4 90,-0.3 -0.873 27.1 -98.8-123.8 153.9 -7.4 26.1 -22.6 65 68 A P E - 0 0 6 0, 0.0 47,-2.8 0, 0.0 2,-0.4 -0.408 45.3-129.0 -62.9 152.3 -9.8 23.3 -22.4 66 69 A V E -de 156 112A 0 89,-2.6 91,-3.5 45,-0.2 2,-0.6 -0.941 16.7-163.1-117.4 129.7 -10.5 21.8 -25.8 67 70 A V E -de 157 113A 0 45,-3.1 47,-2.7 -2,-0.4 2,-0.3 -0.952 24.3-177.5-108.2 122.3 -13.9 21.2 -27.4 68 71 A X E -de 158 114A 0 89,-2.5 91,-1.9 -2,-0.6 2,-0.3 -0.901 17.3-179.3-127.1 154.0 -13.6 18.8 -30.3 69 72 A S E - e 0 115A 1 45,-1.4 47,-3.1 -2,-0.3 2,-0.4 -0.985 7.9-164.5-146.5 154.8 -15.7 17.2 -33.0 70 73 A A E + e 0 116A 0 -2,-0.3 2,-0.2 94,-0.2 97,-0.2 -0.999 20.3 131.0-150.0 136.5 -15.1 14.8 -35.7 71 74 A D E - e 0 117A 3 45,-1.7 47,-3.8 -2,-0.4 50,-0.1 -0.874 52.9-113.5-159.3-170.4 -16.7 13.5 -38.9 72 75 A T S S+ 0 0 1 -2,-0.2 50,-0.2 45,-0.2 45,-0.1 0.159 86.2 97.3-123.7 17.0 -16.2 12.8 -42.6 73 76 A Y S S- 0 0 67 1,-0.2 25,-0.1 48,-0.1 44,-0.1 0.657 103.1 -71.7 -83.6 -17.3 -18.6 15.5 -43.9 74 77 A G > - 0 0 0 42,-0.1 3,-0.7 3,-0.1 -1,-0.2 0.188 30.8-140.8 123.6 114.4 -16.0 18.2 -44.6 75 78 A K T 3 S+ 0 0 3 1,-0.2 -21,-0.0 -4,-0.1 -1,-0.0 0.758 101.7 47.7 -73.9 -23.8 -14.0 20.2 -42.0 76 79 A D T 3 S+ 0 0 35 20,-0.1 -1,-0.2 -37,-0.0 20,-0.1 0.331 79.3 139.3-101.6 10.0 -14.2 23.4 -44.0 77 80 A N < 0 0 28 -3,-0.7 -3,-0.1 1,-0.1 -4,-0.0 -0.133 360.0 360.0 -59.1 149.3 -18.0 23.5 -44.9 78 81 A K 0 0 146 17,-0.1 -1,-0.1 19,-0.1 18,-0.1 0.643 360.0 360.0-119.6 360.0 -20.0 26.7 -44.9 79 ! 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 80 87 A X > 0 0 145 0, 0.0 4,-3.7 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 -20.1 -32.1 26.5 -46.8 81 88 A G T 4 + 0 0 35 1,-0.2 504,-0.1 2,-0.2 499,-0.1 0.866 360.0 39.6 -56.6 -39.9 -35.4 28.1 -46.1 82 89 A A T 4 S+ 0 0 27 502,-0.2 503,-0.3 2,-0.1 -1,-0.2 0.920 123.8 39.0 -71.4 -45.9 -36.3 27.6 -49.8 83 90 A L T 4 S+ 0 0 115 1,-0.3 -2,-0.2 501,-0.1 -1,-0.1 0.870 136.9 8.0 -81.1 -41.3 -34.8 24.1 -50.0 84 91 A W S >< S+ 0 0 35 -4,-3.7 3,-1.9 1,-0.1 -1,-0.3 -0.564 70.4 175.8-145.1 73.6 -35.6 22.4 -46.7 85 92 A P G > S+ 0 0 6 0, 0.0 3,-0.7 0, 0.0 499,-0.2 0.672 72.2 62.8 -65.0 -21.8 -38.0 24.9 -45.0 86 93 A T G 3 S+ 0 0 5 430,-0.3 3,-0.1 1,-0.2 -5,-0.1 0.379 72.2 92.1 -89.0 1.3 -38.7 22.6 -42.0 87 94 A L G < S- 0 0 18 -3,-1.9 207,-0.5 -7,-0.2 -1,-0.2 0.672 81.9-154.6 -61.6 -19.8 -35.1 22.6 -40.7 88 95 A G < - 0 0 22 -3,-0.7 2,-0.6 493,-0.2 -1,-0.2 -0.284 37.9 -18.5 78.9-155.8 -36.1 25.6 -38.6 89 96 A T + 0 0 35 -3,-0.1 208,-0.1 556,-0.1 -1,-0.0 -0.772 57.7 172.1-104.1 119.0 -33.9 28.3 -37.2 90 97 A I - 0 0 62 -2,-0.6 2,-0.6 2,-0.1 204,-0.1 -0.812 8.5-172.0-130.0 89.5 -30.2 27.6 -37.0 91 98 A P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 -63,-0.1 -0.715 22.1 139.9 -89.8 125.9 -28.1 30.4 -36.1 92 99 A T - 0 0 45 -2,-0.6 -2,-0.1 -64,-0.1 -65,-0.0 -0.977 48.9-100.8-148.8 163.2 -24.3 30.0 -36.3 93 100 A S > - 0 0 4 -2,-0.3 3,-0.6 1,-0.1 -66,-0.1 -0.052 45.8 -97.5 -67.3-179.8 -21.2 31.9 -37.4 94 101 A S T 3 S+ 0 0 49 1,-0.2 -1,-0.1 -83,-0.1 -81,-0.1 0.515 116.9 64.7 -80.0 -4.6 -19.6 31.3 -40.7 95 102 A F T 3 S+ 0 0 8 -69,-0.1 -1,-0.2 1,-0.1 -17,-0.1 -0.050 78.8 98.1-112.2 30.8 -17.0 29.0 -39.3 96 103 A T < - 0 0 6 -3,-0.6 3,-0.2 6,-0.1 6,-0.1 -0.906 59.7-152.2-126.3 97.6 -19.3 26.2 -38.1 97 104 A P > - 0 0 9 0, 0.0 3,-2.2 0, 0.0 -19,-0.1 -0.353 55.5 -63.5 -64.6 165.1 -19.8 23.1 -40.3 98 105 A E T 3 S- 0 0 94 1,-0.3 -25,-0.1 -25,-0.1 63,-0.1 -0.179 119.5 -1.0 -72.8 122.2 -23.2 21.6 -39.8 99 106 A E T 3 S+ 0 0 1 1,-0.3 62,-2.1 -3,-0.2 -1,-0.3 0.504 101.9 124.5 86.0 3.7 -23.9 20.3 -36.3 100 107 A S S < S- 0 0 3 -3,-2.2 -1,-0.3 60,-0.2 2,-0.2 -0.585 73.8 -86.4 -91.5 160.1 -20.4 21.2 -35.0 101 108 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.420 47.0-121.5 -59.2 130.3 -19.5 23.4 -32.0 102 109 A D >> - 0 0 2 -2,-0.2 4,-2.2 1,-0.2 3,-2.1 -0.627 12.6-155.9 -81.5 115.3 -19.4 27.0 -33.1 103 110 A P H 3> S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.822 94.4 67.6 -60.7 -24.4 -16.0 28.5 -32.4 104 111 A G H 34 S+ 0 0 0 1,-0.2 -74,-0.3 3,-0.1 -75,-0.2 0.683 111.3 33.0 -65.2 -16.9 -17.8 31.9 -32.4 105 112 A F H <4 S+ 0 0 0 -3,-2.1 4,-0.2 -76,-0.1 -1,-0.2 0.817 126.0 36.7 -98.3 -49.1 -19.5 30.7 -29.2 106 113 A W H ><>S+ 0 0 0 -4,-2.2 3,-1.2 2,-0.2 5,-0.9 0.892 110.0 56.0 -80.6 -46.0 -16.9 28.6 -27.4 107 114 A V G ><5S+ 0 0 3 -4,-1.5 3,-1.8 -5,-0.3 4,-0.2 0.892 103.4 53.5 -63.6 -39.2 -13.7 30.3 -28.2 108 115 A P G 3 5S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.682 102.9 60.7 -69.2 -10.0 -14.7 33.7 -26.7 109 116 A N G < 5S- 0 0 21 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.1 0.075 130.9 -96.4 -94.7 22.2 -15.6 31.8 -23.6 110 117 A D T < 5S+ 0 0 53 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.857 83.7 125.9 60.9 46.3 -11.9 30.7 -23.4 111 118 A Y < - 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