==== 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 06-MAY-07 2YZW . COMPND 2 MOLECULE: ADP-RIBOSYLGLYCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.EBIHARA,M.MANZOKU,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 283 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 73.1 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 2 2 0 1 1 1 0 1 1 1 2 0 1 0 0 0 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L > 0 0 132 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 146.7 15.3 -15.7 -8.7 2 5 A K H > + 0 0 172 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.757 360.0 66.8 -70.6 -23.5 15.9 -12.3 -10.1 3 6 A E H > S+ 0 0 95 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.900 103.1 44.0 -62.7 -41.3 12.7 -12.9 -12.0 4 7 A R H >> S+ 0 0 101 -3,-0.3 4,-1.1 2,-0.2 3,-0.6 0.914 114.4 47.3 -71.3 -43.8 10.8 -12.9 -8.7 5 8 A Q H 3X S+ 0 0 57 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.875 103.9 64.8 -64.2 -36.2 12.6 -9.8 -7.4 6 9 A D H 3X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 249,-2.1 0.817 99.0 52.7 -55.8 -35.3 12.0 -8.1 -10.8 7 10 A R H < S+ 0 0 3 -4,-2.6 3,-1.2 -5,-0.2 4,-0.4 0.947 115.4 46.2 -64.5 -49.7 4.5 10.7 -16.2 22 25 A G H >< S+ 0 0 0 -4,-2.6 3,-1.6 216,-0.3 217,-0.5 0.815 100.3 68.0 -63.9 -31.7 0.9 11.4 -15.4 23 26 A A H 3< S+ 0 0 6 -4,-2.0 3,-0.5 1,-0.3 22,-0.3 0.761 88.2 69.0 -59.8 -24.3 1.8 14.5 -13.4 24 27 A Q T << S+ 0 0 25 -3,-1.2 19,-0.4 -4,-0.6 -1,-0.3 0.802 116.0 21.3 -65.3 -29.5 2.8 16.1 -16.7 25 28 A V S X S+ 0 0 11 -3,-1.6 3,-1.8 -4,-0.4 211,-0.3 0.162 84.4 142.9-126.7 19.6 -0.8 16.2 -17.9 26 29 A E T 3 S+ 0 0 53 -4,-0.5 211,-0.2 -3,-0.5 -3,-0.0 -0.366 72.4 22.9 -63.1 137.8 -2.9 16.1 -14.7 27 30 A G T 3 S+ 0 0 59 209,-2.6 -1,-0.2 1,-0.3 210,-0.1 0.314 93.3 122.4 90.2 -9.1 -6.0 18.2 -15.0 28 31 A L < - 0 0 69 -3,-1.8 208,-1.9 208,-0.4 -1,-0.3 -0.732 66.5-114.9 -91.1 132.7 -6.0 18.2 -18.8 29 32 A P > - 0 0 80 0, 0.0 3,-1.4 0, 0.0 206,-0.1 -0.341 42.0 -92.9 -64.4 143.9 -9.2 17.0 -20.6 30 33 A K T 3 S+ 0 0 79 204,-0.4 204,-0.1 171,-0.4 205,-0.1 -0.203 108.3 16.9 -54.9 143.1 -8.7 13.8 -22.6 31 34 A G T 3 S+ 0 0 74 202,-0.6 -1,-0.2 2,-0.2 203,-0.1 0.651 99.5 96.0 68.0 18.4 -7.9 14.5 -26.3 32 35 A T S < S+ 0 0 90 -3,-1.4 -2,-0.1 2,-0.1 -1,-0.1 0.323 78.3 51.3-118.5 6.0 -6.9 18.1 -25.8 33 36 A F S S- 0 0 33 -4,-0.1 -2,-0.2 200,-0.1 3,-0.1 -0.967 91.9 -84.1-143.3 156.9 -3.1 17.7 -25.5 34 37 A P - 0 0 116 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.272 62.1 -87.6 -58.6 142.2 -0.1 16.0 -27.4 35 38 A E - 0 0 110 1,-0.1 2,-0.4 -4,-0.1 194,-0.0 -0.283 40.5-128.2 -56.0 127.5 0.4 12.4 -26.5 36 39 A V + 0 0 12 193,-0.2 197,-0.1 1,-0.2 -1,-0.1 -0.661 50.1 142.8 -78.5 126.4 2.6 11.9 -23.5 37 40 A R + 0 0 106 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.500 54.8 50.0-136.5 -23.1 5.4 9.5 -24.3 38 41 A E S S- 0 0 70 -17,-0.1 2,-1.6 3,-0.1 -1,-0.2 -0.840 83.5-103.9-125.9 160.6 8.5 10.9 -22.5 39 42 A M + 0 0 15 -2,-0.3 -18,-0.1 1,-0.2 -19,-0.0 -0.641 59.6 143.7 -79.3 87.3 9.6 12.1 -19.1 40 43 A K - 0 0 156 -2,-1.6 -1,-0.2 1,-0.3 2,-0.1 0.534 44.7-145.6-104.3 -9.7 9.6 15.8 -19.9 41 44 A G + 0 0 10 -3,-0.2 2,-0.4 7,-0.2 -1,-0.3 -0.383 50.6 110.0 73.9-160.1 8.4 17.0 -16.5 42 45 A G B > > +A 47 0A 26 5,-2.8 5,-2.4 3,-0.1 3,-0.5 -0.761 23.4 135.3 98.3-138.7 6.1 20.1 -16.5 43 46 A G G > 5S- 0 0 29 -19,-0.4 3,-2.0 -2,-0.4 -19,-0.2 -0.146 83.9 -43.9 76.9-179.6 2.4 20.0 -15.7 44 47 A P G 3 5S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -20,-0.1 0.652 142.7 48.8 -59.1 -15.3 0.7 22.5 -13.4 45 48 A H G < 5S- 0 0 131 -3,-0.5 -2,-0.2 -22,-0.3 -3,-0.1 0.204 104.5-125.0-110.8 15.6 3.6 22.3 -10.9 46 49 A R T < 5 - 0 0 227 -3,-2.0 -3,-0.2 1,-0.1 -22,-0.1 0.881 41.8-168.9 41.7 49.7 6.5 22.7 -13.4 47 50 A L B < -A 42 0A 33 -5,-2.4 -5,-2.8 -24,-0.1 -1,-0.1 -0.353 22.6-114.2 -69.8 145.0 8.0 19.5 -12.2 48 51 A P > - 0 0 60 0, 0.0 3,-1.9 0, 0.0 -7,-0.2 -0.417 53.3 -77.2 -71.7 158.7 11.5 18.5 -13.2 49 52 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.283 119.4 16.3 -57.0 139.7 11.6 15.4 -15.5 50 53 A G T 3 S+ 0 0 1 1,-0.2 217,-2.6 216,-0.1 2,-0.5 0.479 91.1 134.6 77.4 0.8 11.2 12.2 -13.5 51 54 A F < - 0 0 74 -3,-1.9 -1,-0.2 215,-0.2 -28,-0.1 -0.737 36.7-162.6 -88.9 130.0 9.8 14.0 -10.4 52 55 A W - 0 0 30 -2,-0.5 2,-0.1 1,-0.1 -36,-0.1 -0.222 5.6-135.2 -96.3-170.6 6.8 12.4 -8.8 53 56 A T > - 0 0 23 -37,-0.1 4,-2.0 -2,-0.1 3,-0.4 -0.303 49.3 -49.2-127.6-151.3 4.2 13.8 -6.3 54 57 A D H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.786 122.9 68.3 -60.9 -28.3 2.3 12.9 -3.1 55 58 A D H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.964 109.7 33.0 -54.9 -55.8 1.3 9.6 -4.6 56 59 A T H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.835 114.2 60.9 -71.3 -34.1 4.8 8.3 -4.5 57 60 A S H X S+ 0 0 21 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.933 107.4 45.0 -59.3 -45.2 5.7 10.2 -1.3 58 61 A Q H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.877 110.5 54.5 -66.4 -36.4 2.9 8.4 0.6 59 62 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.920 109.6 47.8 -62.1 -42.8 4.1 5.1 -0.9 60 63 A L H X S+ 0 0 27 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.920 111.0 50.7 -63.6 -44.7 7.6 5.8 0.4 61 64 A C H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 112.0 47.1 -58.8 -46.1 6.3 6.7 3.8 62 65 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.916 110.8 52.6 -63.0 -43.5 4.3 3.5 4.0 63 66 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 111.2 45.5 -58.8 -46.8 7.3 1.5 2.8 64 67 A E H X S+ 0 0 99 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 112.0 52.6 -65.6 -37.8 9.5 2.9 5.5 65 68 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.935 110.5 47.4 -62.0 -47.3 6.8 2.4 8.2 66 69 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.908 114.1 45.8 -61.3 -44.9 6.4 -1.3 7.2 67 70 A L H < S+ 0 0 61 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.814 116.5 47.6 -68.7 -29.3 10.2 -2.0 7.2 68 71 A Q H < S- 0 0 137 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.841 137.2 -5.3 -82.0 -37.2 10.6 -0.1 10.5 69 72 A R H < S- 0 0 138 -4,-2.7 -2,-0.2 1,-0.4 -3,-0.2 0.016 88.5-117.3-154.8 43.2 7.7 -1.6 12.5 70 73 A G S < S- 0 0 19 -4,-1.7 2,-1.1 1,-0.1 -1,-0.4 -0.167 82.7 -7.0 55.1-148.7 5.5 -4.0 10.5 71 74 A F S S+ 0 0 33 -4,-0.1 -1,-0.1 1,-0.0 -5,-0.1 -0.688 78.1 150.4 -84.4 102.3 1.9 -3.0 10.1 72 75 A D > - 0 0 45 -2,-1.1 4,-2.2 1,-0.1 3,-0.5 -0.792 23.6-175.6-136.2 88.7 1.4 0.0 12.3 73 76 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.806 87.2 58.4 -53.7 -33.0 -1.3 2.5 11.1 74 77 A K H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.937 108.7 43.7 -64.4 -45.2 -0.4 4.9 13.9 75 78 A D H > S+ 0 0 9 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.861 109.6 58.0 -67.7 -35.4 3.2 5.1 12.7 76 79 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.954 109.4 43.9 -58.0 -50.2 2.0 5.4 9.1 77 80 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.828 107.8 58.6 -65.3 -34.1 -0.0 8.5 10.0 78 81 A D H X S+ 0 0 73 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.934 111.3 43.1 -60.9 -43.0 2.9 9.9 12.1 79 82 A R H X S+ 0 0 25 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.902 114.3 48.3 -69.4 -42.9 5.0 9.8 8.9 80 83 A Y H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.957 113.6 48.5 -61.5 -48.4 2.2 11.1 6.6 81 84 A L H X S+ 0 0 24 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.915 112.6 47.6 -56.3 -47.6 1.6 14.0 9.1 82 85 A R H X S+ 0 0 137 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.927 113.7 47.4 -60.7 -46.4 5.3 14.8 9.4 83 86 A W H < S+ 0 0 79 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.883 113.7 50.0 -61.2 -39.2 5.6 14.7 5.6 84 87 A Y H >< S+ 0 0 82 -4,-2.9 3,-0.8 -5,-0.2 -2,-0.2 0.899 110.3 47.3 -66.7 -44.7 2.5 16.9 5.3 85 88 A R H 3< S+ 0 0 129 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.698 103.9 62.1 -73.3 -19.5 3.7 19.5 7.9 86 89 A E T 3< S+ 0 0 132 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.657 102.9 60.6 -79.8 -15.3 7.1 19.8 6.3 87 90 A G < 0 0 40 -3,-0.8 -3,-0.0 -4,-0.5 0, 0.0 -0.496 360.0 360.0-105.8 177.1 5.6 21.0 3.0 88 91 A Y 0 0 277 -2,-0.2 -2,-0.1 0, 0.0 -1,-0.0 -0.709 360.0 360.0-132.5 360.0 3.4 24.0 2.1 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 90 104 A A > 0 0 54 0, 0.0 4,-1.6 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -45.7 -9.9 14.7 2.4 91 105 A T H > + 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.882 360.0 51.0 -73.0 -40.6 -6.5 13.5 3.4 92 106 A R H > S+ 0 0 177 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 110.3 51.1 -65.4 -34.7 -5.4 16.8 5.0 93 107 A R H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 110.5 49.3 -67.6 -38.9 -8.6 16.6 7.0 94 108 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.911 109.9 50.4 -66.3 -43.1 -7.8 13.1 8.0 95 109 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.916 113.0 45.4 -62.4 -42.9 -4.2 14.0 9.1 96 110 A E H X S+ 0 0 76 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.818 110.1 55.4 -69.6 -30.9 -5.5 16.9 11.2 97 111 A R H X S+ 0 0 79 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.939 110.5 45.5 -65.4 -45.2 -8.2 14.6 12.7 98 112 A Y H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.908 108.9 55.5 -63.0 -43.8 -5.4 12.2 13.7 99 113 A A H < S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.0 38.4 -58.2 -35.5 -3.3 15.0 15.1 100 114 A A H < S+ 0 0 87 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.815 130.6 23.5 -86.7 -33.7 -6.1 16.1 17.3 101 115 A T H < S- 0 0 95 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.669 88.4-127.6-109.1 -22.1 -7.6 12.8 18.4 102 116 A G < + 0 0 35 -4,-2.6 -4,-0.2 -5,-0.4 -3,-0.1 0.470 60.9 140.5 85.4 0.5 -4.9 10.2 18.1 103 117 A D - 0 0 74 -6,-0.4 -1,-0.3 1,-0.2 3,-0.2 -0.694 37.5-164.6 -81.0 109.8 -7.2 8.0 16.0 104 118 A P S S+ 0 0 17 0, 0.0 2,-1.6 0, 0.0 -1,-0.2 0.803 83.3 66.2 -64.9 -29.7 -5.1 6.5 13.2 105 119 A Y + 0 0 46 1,-0.2 38,-0.2 -3,-0.1 39,-0.1 -0.523 65.1 150.2 -91.5 67.9 -8.1 5.4 11.2 106 120 A A + 0 0 1 -2,-1.6 37,-0.2 37,-0.9 -1,-0.2 0.313 24.0 119.0 -85.7 6.5 -9.1 9.0 10.6 107 121 A G - 0 0 19 35,-2.2 38,-0.3 38,-0.3 2,-0.2 -0.447 49.5-151.4 -73.4 148.5 -10.8 8.6 7.2 108 122 A D > - 0 0 34 36,-0.5 3,-2.0 -18,-0.1 38,-1.9 -0.700 31.1 -97.4-115.7 171.0 -14.4 9.5 7.0 109 123 A E T 3 S+ 0 0 180 1,-0.3 39,-0.1 37,-0.3 -2,-0.0 0.615 119.1 63.6 -62.3 -13.4 -17.4 8.3 4.9 110 124 A A T 3 S+ 0 0 79 1,-0.1 2,-1.6 37,-0.1 -1,-0.3 0.596 77.8 96.3 -86.6 -11.1 -16.8 11.2 2.5 111 125 A G < + 0 0 1 -3,-2.0 36,-1.8 1,-0.2 39,-0.2 -0.585 33.8 138.6 -83.4 84.9 -13.4 9.9 1.5 112 126 A A + 0 0 20 -2,-1.6 95,-2.4 34,-0.1 -1,-0.2 0.225 37.6 120.2-107.8 11.3 -14.2 8.0 -1.7 113 127 A G B S-B 206 0B 25 93,-0.2 93,-0.2 -3,-0.1 4,-0.1 -0.004 76.1-107.9 -68.0 178.5 -11.0 9.3 -3.5 114 128 A N S >> S+ 0 0 14 91,-1.0 4,-1.9 1,-0.2 3,-1.1 0.294 81.3 113.3 -94.5 9.0 -8.2 7.1 -4.8 115 129 A G H 3> S+ 0 0 5 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.867 75.9 53.1 -48.3 -44.6 -5.6 8.0 -2.2 116 130 A P H 34 S+ 0 0 2 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.811 110.5 49.0 -63.4 -29.0 -5.5 4.5 -0.7 117 131 A L H X4 S+ 0 0 0 -3,-1.1 3,-0.8 1,-0.2 4,-0.3 0.862 101.5 60.9 -77.2 -38.2 -4.9 3.0 -4.2 118 132 A M H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -59,-0.2 0.698 114.3 34.0 -64.6 -20.5 -2.0 5.3 -5.2 119 133 A R T 3< S+ 0 0 3 -4,-0.8 4,-0.3 -3,-0.2 -1,-0.2 0.350 88.5 103.2-116.8 3.6 0.2 4.2 -2.4 120 134 A L X> + 0 0 3 -3,-0.8 3,-2.0 -4,-0.3 4,-0.9 0.821 52.2 83.3 -59.8 -45.7 -0.7 0.5 -2.0 121 135 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.3 3,-0.5 0.748 84.7 59.7 -30.6 -54.5 2.2 -1.5 -3.6 122 136 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.863 102.7 53.6 -48.6 -41.4 4.5 -1.4 -0.5 123 137 A L H <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.3 -2,-0.2 0.903 111.0 44.7 -61.9 -43.3 2.0 -3.2 1.6 124 138 A V H X S+ 0 0 0 -4,-0.9 4,-0.9 -3,-0.5 -1,-0.2 0.850 108.6 57.5 -71.3 -34.0 1.6 -6.0 -0.8 125 139 A L H < S+ 0 0 1 -4,-2.4 158,-0.3 1,-0.2 -1,-0.2 0.912 118.1 32.1 -62.0 -41.1 5.3 -6.4 -1.4 126 140 A A H < S+ 0 0 5 -4,-1.8 3,-0.2 -5,-0.2 -2,-0.2 0.810 130.3 33.1 -86.7 -33.8 5.9 -6.9 2.4 127 141 A Y H >< S+ 0 0 42 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.094 75.0 127.6-113.4 24.9 2.6 -8.8 3.3 128 142 A E T 3< S+ 0 0 10 -4,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.834 80.5 39.3 -45.5 -44.8 2.0 -10.6 0.1 129 143 A N T 3 S+ 0 0 85 -3,-0.2 -1,-0.3 154,-0.2 -2,-0.1 0.409 84.4 120.7 -92.5 1.0 1.7 -14.0 1.9 130 144 A H X - 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