==== 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 01-DEC-06 2O3Q . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,I.A.KRIKSUNOV,R.GRAEFF,H.C.LEE,Q.HAO . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 0 3 0 0 3 2 2 3 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 2 0 0 2 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 45 A R 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.7 20.9 -21.1 14.8 2 46 A W + 0 0 205 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.456 360.0 37.5-107.2 -2.6 22.7 -18.0 16.1 3 47 A R S S- 0 0 176 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.804 71.1-168.9-118.7 -64.2 23.6 -16.1 12.9 4 48 A Q - 0 0 51 1,-0.1 124,-0.0 124,-0.0 -2,-0.0 0.379 35.1-105.0 76.1 139.9 21.0 -16.2 10.0 5 49 A T S S+ 0 0 86 123,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.936 96.2 30.7 -65.4 -45.0 21.7 -15.0 6.5 6 50 A W S S- 0 0 53 2,-0.2 4,-0.1 124,-0.1 123,-0.0 -0.662 73.8-121.4-120.0 168.0 19.8 -11.7 6.6 7 51 A S S S+ 0 0 68 -2,-0.2 -1,-0.0 121,-0.1 -2,-0.0 0.476 86.1 81.4 -86.2 -8.9 18.9 -9.0 9.1 8 52 A G B S-A 129 0A 9 121,-1.6 121,-1.2 1,-0.1 -2,-0.2 -0.615 90.1 -92.7-100.6 158.9 15.2 -9.3 8.7 9 53 A P - 0 0 106 0, 0.0 119,-0.3 0, 0.0 120,-0.2 -0.308 50.5-111.3 -67.5 153.4 12.7 -11.8 10.1 10 54 A G - 0 0 15 117,-0.4 116,-0.3 116,-0.4 119,-0.2 -0.201 53.4 -45.8 -85.2 174.0 12.0 -14.8 7.8 11 55 A T - 0 0 5 114,-2.8 104,-0.2 117,-0.3 -1,-0.2 -0.038 69.0 -98.9 -50.0 134.6 9.0 -15.9 5.8 12 56 A T > - 0 0 43 102,-2.8 3,-0.9 1,-0.1 -1,-0.1 -0.417 56.5 -94.5 -52.3 129.6 5.7 -15.7 7.7 13 57 A K T 3 S+ 0 0 172 1,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.174 107.2 9.5 -54.7 136.6 5.1 -19.2 8.9 14 58 A R T 3> S+ 0 0 142 -3,-0.1 4,-2.0 3,-0.1 -1,-0.2 0.884 81.0 165.9 53.6 45.1 2.8 -21.3 6.5 15 59 A F H <> + 0 0 0 -3,-0.9 4,-2.5 1,-0.2 5,-0.3 0.924 66.4 50.2 -53.5 -55.3 3.0 -18.5 3.9 16 60 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 112.2 46.4 -56.1 -45.3 1.6 -20.5 0.9 17 61 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.851 114.5 49.6 -66.9 -35.5 -1.4 -21.8 2.8 18 62 A T H X S+ 0 0 35 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.977 112.4 43.8 -71.0 -56.5 -2.1 -18.3 4.2 19 63 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.859 116.2 50.0 -52.7 -42.1 -1.9 -16.4 0.8 20 64 A L H X S+ 0 0 56 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.910 111.9 46.3 -68.8 -42.1 -4.0 -19.2 -0.9 21 65 A A H X S+ 0 0 59 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.932 111.0 52.3 -62.2 -49.6 -6.7 -19.1 1.9 22 66 A R H X S+ 0 0 63 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.926 109.1 53.3 -52.1 -43.7 -6.8 -15.3 1.7 23 67 A a H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.974 110.0 44.0 -51.0 -66.1 -7.3 -15.7 -2.1 24 68 A V H X S+ 0 0 65 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.928 116.2 50.1 -42.7 -52.3 -10.3 -18.1 -1.7 25 69 A K H X S+ 0 0 104 -4,-2.9 4,-2.6 2,-0.2 3,-0.2 0.915 111.3 44.7 -58.7 -56.4 -11.7 -15.9 0.9 26 70 A Y H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.897 112.1 52.6 -53.0 -47.4 -11.4 -12.6 -1.0 27 71 A T H < S+ 0 0 22 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.776 111.1 51.1 -61.7 -26.8 -12.8 -14.2 -4.2 28 72 A E H < S+ 0 0 144 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.929 114.9 38.6 -70.4 -50.2 -15.7 -15.3 -1.9 29 73 A I H < S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.918 114.4 53.5 -66.6 -46.9 -16.6 -11.9 -0.4 30 74 A H >< - 0 0 60 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 -0.808 68.2-162.3-102.4 106.8 -16.0 -9.7 -3.4 31 75 A P G > S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.673 84.2 61.6 -63.2 -21.8 -18.1 -10.8 -6.5 32 76 A E G 3 S+ 0 0 96 1,-0.2 3,-0.3 2,-0.1 -5,-0.1 0.632 102.9 57.1 -85.0 -0.2 -16.2 -9.0 -9.3 33 77 A M G X S+ 0 0 2 -3,-1.6 3,-0.6 -7,-0.2 -1,-0.2 0.126 74.5 100.0-105.4 21.6 -13.2 -11.1 -8.3 34 78 A R T < + 0 0 188 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.616 69.9 68.0 -82.3 -11.1 -14.8 -14.6 -8.7 35 79 A H T 3 S+ 0 0 140 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.638 79.8 106.4 -74.6 -15.4 -13.2 -15.2 -12.2 36 80 A V < - 0 0 15 -3,-0.6 2,-0.8 1,-0.1 3,-0.1 -0.454 65.5-145.5 -71.1 128.6 -9.8 -15.4 -10.4 37 81 A D > - 0 0 88 -2,-0.3 4,-1.8 1,-0.2 3,-0.5 -0.833 9.4-157.2 -98.3 120.5 -8.2 -18.8 -10.0 38 82 A a H > S+ 0 0 13 -2,-0.8 4,-3.0 1,-0.3 -1,-0.2 0.871 89.0 55.6 -69.8 -41.5 -6.5 -18.7 -6.7 39 83 A Q H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.882 108.9 52.3 -53.3 -39.3 -4.0 -21.4 -7.3 40 84 A S H > S+ 0 0 49 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.934 107.1 50.5 -60.4 -51.4 -3.0 -19.4 -10.3 41 85 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.966 110.8 50.4 -48.0 -60.4 -2.6 -16.2 -8.1 42 86 A W H X S+ 0 0 18 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.870 109.9 49.9 -43.9 -50.1 -0.4 -18.3 -5.8 43 87 A D H X S+ 0 0 70 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.905 111.3 48.2 -61.3 -46.1 1.8 -19.5 -8.7 44 88 A A H X S+ 0 0 14 -4,-2.6 4,-0.6 2,-0.2 21,-0.4 0.906 115.1 46.4 -49.6 -51.0 2.3 -16.0 -10.0 45 89 A F H >X S+ 0 0 0 -4,-2.7 3,-1.3 2,-0.2 4,-0.6 0.959 114.9 44.4 -56.7 -63.6 3.2 -14.9 -6.5 46 90 A K H >X S+ 0 0 80 -4,-3.3 4,-2.9 1,-0.2 3,-1.3 0.886 110.1 56.3 -41.9 -52.2 5.6 -17.8 -5.8 47 91 A G H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.668 96.1 67.3 -68.0 -13.8 7.2 -17.5 -9.2 48 92 A A H << S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.6 10,-0.2 0.836 123.0 7.3 -70.4 -31.8 8.0 -13.8 -8.5 49 93 A F H X< S+ 0 0 0 -3,-1.3 3,-1.4 -4,-0.6 68,-0.4 0.493 95.7 110.9-128.9 -20.2 10.5 -14.5 -5.7 50 94 A I T 3< S+ 0 0 26 -4,-2.9 72,-0.1 1,-0.3 3,-0.1 -0.500 94.2 5.7 -64.4 133.4 11.2 -18.3 -5.6 51 95 A S T 3 S+ 0 0 56 70,-0.7 2,-0.4 67,-0.4 -1,-0.3 0.809 106.7 117.4 63.8 25.4 14.7 -19.3 -6.8 52 96 A K S < S- 0 0 61 -3,-1.4 65,-0.3 69,-0.1 -1,-0.2 -0.969 79.7-105.6-116.9 141.9 15.6 -15.6 -7.1 53 97 A H > - 0 0 80 -2,-0.4 3,-2.6 3,-0.2 65,-0.1 -0.520 34.1-130.4 -59.3 127.6 18.3 -13.9 -5.1 54 98 A P T 3 S+ 0 0 3 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.392 105.6 51.7 -71.9 2.5 16.2 -12.0 -2.6 55 99 A b T 3 S+ 0 0 30 84,-0.1 83,-0.2 1,-0.1 84,-0.1 0.118 100.6 63.2-106.1 10.9 18.2 -8.8 -3.4 56 100 A D S < S+ 0 0 117 -3,-2.6 2,-0.4 80,-0.1 -3,-0.2 -0.254 72.4 137.2-127.8 51.3 17.8 -9.0 -7.1 57 101 A I - 0 0 2 81,-2.0 2,-0.3 -3,-0.2 -8,-0.1 -0.808 31.4-167.2 -97.8 133.2 14.0 -8.7 -7.3 58 102 A T >> - 0 0 35 -2,-0.4 4,-0.8 -10,-0.2 3,-0.8 -0.775 36.9-114.1-116.3 160.6 12.3 -6.5 -9.9 59 103 A E H >> S+ 0 0 38 -2,-0.3 3,-1.4 1,-0.2 4,-0.6 0.915 118.5 59.9 -50.9 -42.2 8.8 -5.0 -10.6 60 104 A E H >4 S+ 0 0 93 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.812 92.8 63.7 -56.2 -33.2 8.7 -7.3 -13.7 61 105 A D H <4 S+ 0 0 30 -3,-0.8 4,-0.3 1,-0.3 -1,-0.3 0.847 107.3 45.3 -61.8 -32.9 9.1 -10.3 -11.4 62 106 A Y H S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.993 113.0 41.9 -54.1 -53.6 2.4 -12.0 -13.8 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.4 -4,-0.3 -2,-0.2 0.900 111.7 55.1 -55.6 -41.9 0.7 -11.6 -10.4 66 110 A M H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.856 109.0 50.3 -61.8 -33.4 -0.3 -7.9 -11.2 67 111 A K H >< S+ 0 0 115 -4,-2.2 3,-1.5 -3,-0.2 -1,-0.2 0.948 111.5 45.2 -71.1 -47.3 -2.0 -9.2 -14.3 68 112 A L H 3< S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.865 114.2 50.0 -63.3 -33.3 -4.0 -12.0 -12.4 69 113 A G T 3< S+ 0 0 2 -4,-2.4 37,-0.3 -5,-0.2 -1,-0.3 0.217 77.9 150.8 -86.2 9.6 -4.9 -9.5 -9.7 70 114 A T < + 0 0 78 -3,-1.5 2,-0.3 -5,-0.1 -3,-0.1 -0.228 21.9 169.5 -51.8 128.7 -6.2 -6.9 -12.2 71 115 A Q - 0 0 48 2,-0.0 2,-0.6 33,-0.0 -2,-0.0 -0.991 36.2-140.9-150.6 133.4 -8.9 -4.8 -10.4 72 116 A T - 0 0 125 -2,-0.3 -2,-0.0 2,-0.0 83,-0.0 -0.896 19.5-177.8 -94.3 121.1 -11.1 -1.7 -10.7 73 117 A V - 0 0 17 -2,-0.6 5,-0.1 26,-0.0 -2,-0.0 -0.915 53.7 -86.5-109.0 132.2 -11.6 0.1 -7.4 74 118 A P > - 0 0 61 0, 0.0 3,-1.9 0, 0.0 25,-0.2 -0.296 44.7-141.4 -41.9 117.2 -13.9 3.2 -8.0 75 119 A c T 3 S+ 0 0 47 1,-0.3 82,-2.5 2,-0.1 3,-0.4 0.714 94.0 53.7 -75.1 -17.4 -11.2 5.7 -9.0 76 120 A N T 3 S+ 0 0 72 1,-0.2 -1,-0.3 80,-0.2 83,-0.3 0.364 101.2 59.7 -92.0 3.2 -12.6 8.6 -7.2 77 121 A K S < S+ 0 0 89 -3,-1.9 22,-3.0 81,-0.1 2,-0.4 -0.167 71.6 138.5-122.3 36.0 -12.9 6.9 -3.7 78 122 A I B -b 99 0B 0 -3,-0.4 83,-1.9 81,-0.3 2,-0.6 -0.692 35.3-161.9 -94.6 128.7 -9.3 6.0 -3.0 79 123 A L E -c 161 0C 0 20,-3.5 22,-0.4 -2,-0.4 83,-0.2 -0.964 6.3-168.6-107.6 106.1 -7.7 6.5 0.4 80 124 A L E -c 162 0C 4 81,-3.1 83,-2.3 -2,-0.6 2,-0.3 -0.539 12.5-174.3 -76.0 151.9 -4.0 6.5 0.4 81 125 A W E -c 163 0C 52 81,-0.2 2,-0.4 -2,-0.2 83,-0.2 -0.957 18.2-158.9-149.0 156.8 -2.3 6.3 3.8 82 126 A S E S-c 164 0C 10 81,-1.7 83,-0.9 -2,-0.3 -2,-0.0 -0.959 73.2 -24.9-133.4 112.3 1.1 6.5 5.3 83 127 A R S S+ 0 0 103 -2,-0.4 81,-0.1 81,-0.1 -1,-0.0 0.782 112.7 89.5 68.1 25.1 2.1 5.0 8.8 84 128 A I > + 0 0 38 79,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.274 46.7 155.9-145.2 48.2 -1.4 5.2 10.2 85 129 A K H > + 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.874 64.0 50.6 -42.9 -58.1 -2.7 1.7 9.2 86 130 A D H > S+ 0 0 107 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.822 108.6 47.1 -64.8 -46.2 -5.5 1.1 11.8 87 131 A L H > S+ 0 0 15 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.928 111.0 54.1 -57.6 -50.3 -7.5 4.4 11.5 88 132 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.964 116.1 39.3 -52.4 -46.6 -7.5 4.1 7.7 89 133 A H H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.899 112.1 52.2 -70.9 -42.7 -8.9 0.6 7.9 90 134 A Q H X S+ 0 0 89 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.910 112.5 52.0 -59.4 -38.5 -11.4 1.1 10.8 91 135 A F H >X S+ 0 0 8 -4,-2.6 3,-0.9 -5,-0.3 4,-0.5 0.923 109.7 43.3 -58.5 -52.6 -12.6 4.1 8.7 92 136 A T H 3X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.837 106.3 65.9 -71.9 -26.7 -13.2 2.3 5.4 93 137 A Q H 3< S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.689 86.3 71.6 -64.5 -20.4 -14.8 -0.7 7.3 94 138 A V H << S- 0 0 49 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.969 131.3 -26.2 -64.4 -51.6 -17.9 1.4 8.5 95 139 A Q H < S- 0 0 102 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.1 0.130 87.6-100.4-153.8 20.0 -19.7 1.8 5.2 96 140 A R < + 0 0 184 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 0.857 61.8 156.9 58.3 44.0 -17.0 1.5 2.4 97 141 A D S S+ 0 0 66 -6,-0.4 2,-0.3 -5,-0.2 -5,-0.1 0.826 70.8 6.3 -65.5 -19.5 -16.8 5.3 1.8 98 142 A M S S- 0 0 23 -6,-0.1 2,-0.4 -7,-0.1 -20,-0.2 -0.907 72.1-125.3-162.1 157.2 -13.3 4.8 0.4 99 143 A F B -b 78 0B 47 -22,-3.0 -20,-3.5 -2,-0.3 2,-0.2 -0.981 18.6-164.3-125.2 133.6 -10.9 2.0 -0.6 100 144 A T > - 0 0 0 -2,-0.4 3,-1.7 -22,-0.2 4,-0.5 -0.549 42.9 -93.3-100.3 172.2 -7.3 1.5 0.7 101 145 A L G > S+ 0 0 16 -22,-0.4 3,-1.5 1,-0.2 6,-0.5 0.870 125.0 58.2 -48.8 -32.9 -4.6 -0.7 -0.8 102 146 A E G 3 S+ 0 0 19 1,-0.3 -1,-0.2 5,-0.3 9,-0.1 0.531 93.3 65.7 -90.4 -8.3 -5.6 -3.5 1.5 103 147 A D G < S+ 0 0 51 -3,-1.7 -1,-0.3 4,-0.1 2,-0.2 0.526 88.6 86.5 -81.3 -15.0 -9.2 -3.5 0.2 104 148 A T S <> S- 0 0 18 -3,-1.5 4,-2.6 -4,-0.5 5,-0.2 -0.567 92.6-115.6 -76.3 155.9 -7.7 -4.7 -3.1 105 149 A L H > S+ 0 0 0 1,-0.2 4,-2.7 -36,-0.2 -1,-0.1 0.937 115.1 44.4 -55.3 -50.1 -7.1 -8.5 -3.7 106 150 A L H > S+ 0 0 8 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.898 114.3 47.1 -65.5 -42.3 -3.4 -8.0 -3.9 107 151 A G H > S+ 0 0 0 -6,-0.5 4,-1.3 2,-0.2 -5,-0.3 0.908 113.0 49.8 -72.1 -31.5 -3.0 -5.7 -1.0 108 152 A Y H < S+ 0 0 65 -4,-2.6 -2,-0.2 -7,-0.3 -1,-0.2 0.917 106.7 56.2 -73.2 -36.8 -5.3 -8.0 1.1 109 153 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.948 119.1 30.2 -56.6 -44.0 -3.1 -11.2 0.2 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.4 2,-0.1 -1,-0.2 0.514 82.8 130.1 -94.2 -16.8 0.2 -9.6 1.4 111 155 A D T 3< S- 0 0 28 -4,-1.3 3,-0.1 1,-0.3 -4,-0.0 -0.281 85.9 -1.3 -53.6 128.9 -0.9 -7.3 4.3 112 156 A D T 3 S+ 0 0 123 1,-0.3 2,-0.3 -100,-0.0 -1,-0.3 0.659 108.2 123.8 67.6 21.6 1.2 -8.0 7.4 113 157 A L < - 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0 0 22 -5,-1.7 3,-0.3 -82,-0.1 -1,-0.2 -0.938 25.0-138.4-174.8 149.4 18.8 -4.3 0.2 137 181 A S S S+ 0 0 41 -2,-0.3 2,-0.9 1,-0.2 -5,-0.1 0.644 94.4 75.5 -90.9 -12.1 15.8 -2.4 -1.1 138 182 A N + 0 0 55 -83,-0.2 -81,-2.0 4,-0.1 -1,-0.2 -0.342 69.5 128.7 -96.9 46.7 15.2 -4.8 -3.9 139 183 A N S > S- 0 0 5 -2,-0.9 4,-2.6 -3,-0.3 5,-0.3 -0.530 74.1 -99.9-104.9 162.4 13.8 -7.5 -1.8 140 184 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -24,-0.1 0.861 119.1 41.3 -45.8 -47.3 10.5 -9.5 -2.3 141 185 A V H > S+ 0 0 32 -26,-0.4 4,-2.2 2,-0.2 5,-0.2 0.963 117.9 43.9 -71.6 -56.4 8.5 -7.5 0.2 142 186 A S H > S+ 0 0 34 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.903 114.8 49.4 -58.3 -42.9 9.7 -4.0 -0.6 143 187 A V H X S+ 0 0 8 -4,-2.6 4,-1.9 1,-0.2 -1,-0.3 0.887 110.0 51.7 -68.3 -35.1 9.5 -4.5 -4.3 144 188 A F H X S+ 0 0 1 -4,-1.4 4,-3.1 -5,-0.3 5,-0.2 0.963 111.6 45.5 -61.6 -46.7 5.9 -5.9 -4.0 145 189 A W H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.889 111.7 53.1 -70.8 -36.9 4.6 -2.9 -2.0 146 190 A K H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.860 113.0 42.8 -64.8 -43.8 6.3 -0.4 -4.3 147 191 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.900 117.5 44.1 -69.6 -48.4 4.8 -1.9 -7.4 148 192 A V H X S+ 0 0 6 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.870 114.1 51.1 -65.2 -28.5 1.3 -2.3 -6.0 149 193 A S H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.872 110.1 50.4 -78.5 -34.0 1.4 1.1 -4.4 150 194 A R H X S+ 0 0 64 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.930 109.9 47.8 -63.2 -58.2 2.4 2.7 -7.6 151 195 A R H X S+ 0 0 85 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.843 111.5 53.6 -43.5 -37.3 -0.4 1.1 -9.7 152 196 A F H >X S+ 0 0 11 -4,-1.5 3,-0.8 1,-0.2 4,-0.7 0.939 109.2 45.4 -79.6 -41.3 -2.8 2.1 -7.0 153 197 A A H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 34,-0.4 0.907 112.4 53.5 -62.4 -37.6 -1.8 5.8 -7.1 154 198 A E H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.705 102.6 57.6 -74.2 -13.1 -1.9 5.6 -10.9 155 199 A A H << S+ 0 0 40 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.706 89.1 106.3 -85.7 -23.5 -5.5 4.2 -10.8 156 200 A A << + 0 0 0 -3,-1.0 31,-0.4 -4,-0.7 2,-0.3 -0.127 41.4 167.0 -74.8 149.8 -6.8 7.3 -8.9 157 201 A c + 0 0 9 -82,-2.5 34,-0.3 2,-0.2 -79,-0.3 -0.890 46.5 11.6-148.6 170.1 -8.9 10.3 -10.2 158 202 A D E S+ d 0 191C 78 32,-2.5 34,-2.0 -2,-0.3 35,-1.9 -0.297 121.1 2.3 59.0-121.4 -11.0 13.2 -9.0 159 203 A V E S- d 0 193C 56 -83,-0.3 2,-0.4 33,-0.2 -81,-0.3 -0.915 72.1-165.7-103.6 117.4 -10.3 14.0 -5.3 160 204 A V E - 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