==== 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 29-JUL-08 3DZH . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,I.A.KRIKSUNOV,H.JIANG,R.GRAEFF,H.LIN,H.C.LEE,Q.HAO . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 30.4 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 4 0 0 2 1 1 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 3 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 . 3 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 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 21.4 -20.8 14.7 2 46 A W + 0 0 202 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.486 360.0 33.6 -95.7 -2.7 23.1 -17.9 16.4 3 47 A R S S- 0 0 166 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.889 71.7-142.6-152.5 126.2 23.5 -15.5 13.5 4 48 A Q - 0 0 71 -2,-0.3 124,-0.0 1,-0.1 -2,-0.0 -0.358 18.7-123.7 -90.4 163.4 21.2 -14.9 10.5 5 49 A T S S+ 0 0 87 123,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.919 94.0 30.2 -66.1 -45.3 22.1 -14.1 6.9 6 50 A W S S- 0 0 52 2,-0.2 -2,-0.1 124,-0.1 4,-0.0 -0.695 77.0-125.2-111.8 173.3 20.2 -10.9 6.6 7 51 A S S S+ 0 0 71 -2,-0.2 3,-0.1 124,-0.1 -1,-0.1 0.533 81.2 84.3 -95.5 -6.6 19.2 -8.3 9.2 8 52 A G E S-A 129 0A 8 121,-1.3 121,-0.9 1,-0.1 -2,-0.2 -0.575 91.0 -86.2 -88.8 160.1 15.5 -8.4 8.6 9 53 A P E -A 128 0A 103 0, 0.0 120,-0.4 0, 0.0 119,-0.2 -0.214 53.3-116.3 -47.1 142.4 12.7 -10.7 10.1 10 54 A G - 0 0 16 117,-0.5 116,-0.3 116,-0.3 119,-0.2 -0.191 50.3 -48.2 -89.3-179.4 12.3 -13.8 8.0 11 55 A T S S- 0 0 6 114,-2.7 104,-0.3 117,-0.3 -1,-0.2 -0.224 70.5 -98.4 -52.8 136.1 9.4 -15.1 6.0 12 56 A T > - 0 0 41 102,-2.9 3,-1.6 1,-0.1 -1,-0.1 -0.121 53.0 -90.3 -58.8 140.5 6.0 -15.0 8.0 13 57 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -3,-0.1 5,-0.1 -0.207 108.7 3.5 -58.7 139.0 5.2 -18.4 9.5 14 58 A R T 3> S+ 0 0 153 -3,-0.1 4,-2.9 1,-0.1 5,-0.3 0.866 82.1 166.1 52.6 34.8 3.1 -20.5 7.2 15 59 A F H <> + 0 0 0 -3,-1.6 4,-3.0 1,-0.2 5,-0.3 0.924 67.6 51.6 -45.8 -43.4 3.3 -17.8 4.5 16 60 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.946 114.3 42.8 -68.8 -36.7 2.0 -20.0 1.7 17 61 A E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.865 114.3 52.4 -73.1 -39.7 -1.0 -21.2 3.6 18 62 A T H X S+ 0 0 42 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.929 112.2 44.5 -61.7 -48.7 -1.7 -17.7 4.9 19 63 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.945 113.4 50.3 -64.1 -45.9 -1.6 -16.2 1.4 20 64 A L H X S+ 0 0 57 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.901 111.5 48.6 -57.9 -43.5 -3.7 -18.9 -0.1 21 65 A A H X S+ 0 0 59 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.864 109.7 51.9 -67.9 -38.4 -6.4 -18.5 2.6 22 66 A R H X S+ 0 0 58 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.891 109.6 49.6 -65.2 -34.8 -6.5 -14.8 2.2 23 67 A a H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.959 110.7 48.9 -70.9 -45.7 -7.0 -15.2 -1.4 24 68 A V H X S+ 0 0 62 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.971 115.2 45.5 -54.4 -50.2 -9.8 -17.7 -0.9 25 69 A K H X S+ 0 0 111 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.915 113.1 48.8 -62.6 -45.0 -11.5 -15.4 1.6 26 70 A Y H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 7,-0.2 0.938 111.2 49.0 -61.2 -43.2 -11.1 -12.2 -0.5 27 71 A T H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.791 109.9 55.0 -73.1 -17.2 -12.5 -13.8 -3.7 28 72 A E H < S+ 0 0 141 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.877 114.9 37.5 -79.3 -36.0 -15.5 -15.1 -1.5 29 73 A I H < S+ 0 0 105 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.843 110.9 59.5 -87.5 -33.4 -16.4 -11.7 -0.3 30 74 A H >< - 0 0 56 -4,-2.7 3,-2.2 -5,-0.2 4,-0.2 -0.821 64.7-162.7-107.2 108.4 -15.7 -9.6 -3.3 31 75 A P G > S+ 0 0 73 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.751 86.0 63.5 -68.1 -27.7 -17.8 -10.6 -6.2 32 76 A E G 3 S+ 0 0 87 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.750 112.2 39.7 -65.0 -20.0 -15.7 -8.9 -8.9 33 77 A M G X S+ 0 0 4 -3,-2.2 3,-1.7 -7,-0.2 -1,-0.2 0.233 84.1 114.8-108.0 12.1 -12.8 -11.2 -7.8 34 78 A R T < S+ 0 0 185 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.599 77.0 47.5 -52.4 -23.3 -15.3 -14.2 -7.4 35 79 A H T 3 S+ 0 0 152 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.620 77.9 122.6-102.9 -15.1 -13.6 -16.0 -10.2 36 80 A V < - 0 0 22 -3,-1.7 2,-0.8 1,-0.1 3,-0.1 -0.160 61.7-127.9 -55.7 137.9 -9.9 -15.6 -9.4 37 81 A D > - 0 0 90 1,-0.2 4,-1.7 31,-0.1 3,-0.2 -0.832 18.2-162.6 -87.7 113.9 -8.0 -19.0 -9.1 38 82 A a H > S+ 0 0 13 -2,-0.8 4,-2.7 1,-0.3 5,-0.2 0.788 86.3 57.0 -73.1 -27.8 -6.2 -18.7 -5.8 39 83 A Q H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.902 108.7 47.8 -63.8 -41.5 -3.8 -21.5 -6.5 40 84 A S H > S+ 0 0 45 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.884 109.1 53.3 -67.5 -35.4 -2.7 -19.6 -9.5 41 85 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.948 111.4 46.0 -64.7 -50.5 -2.4 -16.4 -7.5 42 86 A W H X S+ 0 0 18 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.904 111.4 53.2 -54.5 -42.6 -0.2 -18.2 -5.0 43 87 A D H X S+ 0 0 66 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.910 112.8 42.7 -63.6 -36.2 1.9 -19.8 -8.0 44 88 A A H X S+ 0 0 13 -4,-2.6 4,-0.9 2,-0.2 21,-0.4 0.853 113.2 52.6 -76.7 -33.8 2.5 -16.3 -9.5 45 89 A F H >X S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 4,-0.6 0.956 112.7 45.7 -63.7 -51.1 3.3 -14.8 -6.1 46 90 A K H >X S+ 0 0 75 -4,-3.4 4,-2.8 1,-0.3 3,-1.4 0.897 106.4 60.8 -57.9 -38.3 5.8 -17.6 -5.5 47 91 A G H 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.782 94.4 63.9 -61.6 -27.5 7.2 -17.1 -8.9 48 92 A A H << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.9 10,-0.3 0.769 123.0 8.5 -68.8 -31.7 8.2 -13.6 -8.2 49 93 A F H X< S+ 0 0 0 -3,-1.4 3,-1.6 -4,-0.6 68,-0.3 0.530 93.4 107.6-125.3 -19.9 10.7 -14.5 -5.5 50 94 A I T 3< S+ 0 0 21 -4,-2.8 72,-0.2 1,-0.3 3,-0.1 -0.515 94.3 7.0 -70.5 142.0 11.4 -18.2 -5.2 51 95 A S T 3 S+ 0 0 52 70,-0.7 69,-1.2 72,-0.4 2,-0.3 0.645 108.7 111.6 68.8 17.0 14.8 -19.3 -6.5 52 96 A K S < S- 0 0 64 -3,-1.6 65,-0.3 67,-0.2 -1,-0.2 -0.889 80.4-103.0-123.0 151.4 15.8 -15.7 -7.0 53 97 A H > - 0 0 74 -2,-0.3 3,-2.3 3,-0.2 65,-0.1 -0.577 30.7-135.8 -73.2 132.7 18.4 -13.7 -5.0 54 98 A P T 3 S+ 0 0 3 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.505 102.1 54.6 -82.4 10.1 16.4 -11.6 -2.6 55 99 A b T 3 S+ 0 0 32 1,-0.2 83,-0.3 84,-0.2 84,-0.2 0.222 103.6 58.6-114.0 18.7 18.5 -8.5 -3.2 56 100 A D S < S+ 0 0 109 -3,-2.3 2,-0.3 80,-0.1 -3,-0.2 -0.234 70.8 136.8-139.5 44.1 17.8 -8.7 -6.9 57 101 A I - 0 0 1 81,-2.5 2,-0.3 -3,-0.2 -8,-0.1 -0.680 31.1-167.8 -95.4 143.8 14.0 -8.5 -7.2 58 102 A T >> - 0 0 33 -2,-0.3 3,-1.0 -10,-0.3 4,-0.6 -0.870 38.5-109.1-126.6 166.3 12.5 -6.4 -9.8 59 103 A E G >4 S+ 0 0 32 -2,-0.3 3,-1.1 1,-0.3 4,-0.1 0.845 117.1 64.7 -62.9 -27.2 9.1 -5.1 -10.5 60 104 A E G >4 S+ 0 0 85 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.815 89.7 64.7 -60.6 -38.1 9.1 -7.6 -13.5 61 105 A D G <4 S+ 0 0 27 -3,-1.0 4,-0.3 1,-0.3 -1,-0.3 0.836 104.0 47.0 -54.3 -38.1 9.2 -10.4 -11.1 62 106 A Y G S+ 0 0 60 -3,-1.8 4,-2.7 2,-0.2 5,-0.3 0.937 79.7 54.1 -72.2 -42.8 4.1 -8.9 -13.2 64 108 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.937 113.7 44.7 -47.3 -46.8 2.5 -12.3 -13.4 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.848 110.4 54.5 -66.0 -45.1 0.9 -11.6 -10.0 66 110 A M H < S+ 0 0 10 -4,-2.5 -1,-0.2 2,-0.2 -3,-0.2 0.918 108.1 49.5 -54.0 -45.3 -0.1 -8.1 -11.0 67 111 A K H >< S+ 0 0 168 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.937 112.6 46.8 -59.5 -48.9 -2.0 -9.5 -14.1 68 112 A L H 3< S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 113.7 48.2 -64.4 -31.8 -3.8 -12.0 -12.0 69 113 A G T 3< S+ 0 0 7 -4,-1.9 37,-0.3 -5,-0.2 -1,-0.3 0.255 78.3 143.5 -97.2 13.4 -4.7 -9.5 -9.4 70 114 A T < + 0 0 107 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.1 -0.221 25.3 164.6 -46.8 129.8 -5.9 -6.9 -11.9 71 115 A Q - 0 0 40 33,-0.0 2,-0.2 2,-0.0 -2,-0.0 -0.943 39.5-118.4-159.1 142.3 -8.9 -5.1 -10.4 72 116 A T - 0 0 129 -2,-0.3 -40,-0.1 -40,-0.1 83,-0.0 -0.515 28.9-170.5 -78.2 138.6 -11.1 -2.0 -10.8 73 117 A V - 0 0 23 -2,-0.2 2,-0.8 82,-0.1 5,-0.1 -0.920 38.5-101.8-126.1 138.9 -11.0 0.3 -7.9 74 118 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 25,-0.2 -0.676 38.8-153.1 -61.7 110.9 -13.5 3.3 -7.6 75 119 A c G > S+ 0 0 45 -2,-0.8 82,-2.4 1,-0.3 3,-0.6 0.717 85.9 51.9 -67.5 -22.6 -10.9 5.9 -8.7 76 120 A N G 3 S+ 0 0 71 1,-0.2 83,-0.3 80,-0.2 -1,-0.3 0.367 103.6 57.5 -97.2 9.6 -12.5 8.9 -6.9 77 121 A K G < S+ 0 0 89 -3,-1.9 22,-2.3 81,-0.1 2,-0.3 -0.038 72.0 140.2-125.8 30.1 -12.7 7.2 -3.4 78 122 A I B < -b 99 0B 0 -3,-0.6 83,-2.3 79,-0.3 2,-0.5 -0.628 32.0-165.2 -79.7 134.5 -9.0 6.3 -2.9 79 123 A L E -c 161 0C 0 20,-2.7 22,-0.4 -2,-0.3 83,-0.2 -0.990 5.9-171.4-119.8 120.5 -7.5 6.8 0.6 80 124 A L E -c 162 0C 3 81,-3.2 83,-2.2 -2,-0.5 2,-0.3 -0.522 8.9-171.2 -98.7 163.7 -3.7 6.7 0.8 81 125 A W E -c 163 0C 58 81,-0.3 2,-0.4 -2,-0.2 97,-0.3 -0.987 20.4-154.0-154.5 159.8 -2.0 6.7 4.2 82 126 A S E S-c 164 0C 4 81,-1.8 83,-0.6 -2,-0.3 -2,-0.0 -0.952 78.9 -27.0-140.0 119.3 1.4 6.9 5.8 83 127 A R S S+ 0 0 90 -2,-0.4 81,-0.1 1,-0.1 3,-0.0 0.649 121.2 81.2 52.5 25.5 2.2 5.3 9.2 84 128 A I > + 0 0 21 79,-0.2 4,-1.9 2,-0.0 3,-0.2 -0.180 45.9 138.9-144.0 42.7 -1.4 5.4 10.3 85 129 A K H > + 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 65.2 61.5 -69.6 -29.0 -2.9 2.4 8.6 86 130 A D H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.928 106.9 44.7 -59.5 -45.5 -5.1 1.2 11.5 87 131 A L H > S+ 0 0 13 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 112.8 53.1 -66.8 -42.7 -7.1 4.4 11.6 88 132 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.948 113.2 42.6 -55.8 -44.9 -7.4 4.3 7.7 89 133 A H H X S+ 0 0 24 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.895 112.1 52.6 -70.9 -38.5 -8.7 0.8 7.8 90 134 A Q H X S+ 0 0 99 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.2 0.888 112.1 48.8 -60.3 -39.5 -11.0 1.4 10.8 91 135 A F H >X S+ 0 0 8 -4,-2.7 3,-1.3 1,-0.2 4,-0.7 0.924 111.3 45.7 -66.2 -50.8 -12.4 4.4 8.8 92 136 A T H 3X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.810 106.1 64.6 -68.5 -23.5 -13.0 2.6 5.5 93 137 A Q H 3< S+ 0 0 139 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.723 87.5 69.9 -64.9 -24.7 -14.6 -0.3 7.5 94 138 A V H << S- 0 0 48 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.953 132.3 -24.2 -61.2 -53.4 -17.5 1.7 8.7 95 139 A Q H < S- 0 0 99 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.1 0.157 86.6-102.2-150.3 23.1 -19.4 2.2 5.5 96 140 A R < + 0 0 178 -4,-2.1 -4,-0.1 -5,-0.2 -3,-0.1 0.848 62.4 157.1 58.5 40.3 -16.8 1.8 2.7 97 141 A D S S+ 0 0 63 -6,-0.4 2,-0.2 -5,-0.1 -5,-0.1 0.814 70.7 9.5 -65.4 -34.4 -16.6 5.6 2.2 98 142 A M S S- 0 0 22 -6,-0.1 2,-0.4 -7,-0.1 -20,-0.2 -0.846 73.1-129.3-138.0 174.8 -13.1 5.2 0.7 99 143 A F B -b 78 0B 49 -22,-2.3 -20,-2.7 -2,-0.2 2,-0.2 -0.997 17.1-163.4-128.4 127.4 -10.8 2.3 -0.4 100 144 A T > - 0 0 0 -2,-0.4 3,-2.1 -22,-0.2 4,-0.3 -0.523 41.6 -97.0 -99.0 179.0 -7.1 1.8 0.7 101 145 A L G > S+ 0 0 10 -22,-0.4 3,-1.5 1,-0.3 6,-0.6 0.852 124.5 61.9 -60.5 -30.7 -4.6 -0.4 -1.0 102 146 A E G 3 S+ 0 0 13 1,-0.3 -1,-0.3 5,-0.3 9,-0.1 0.537 91.5 67.4 -79.7 -5.4 -5.4 -3.2 1.5 103 147 A D G < S+ 0 0 46 -3,-2.1 -1,-0.3 4,-0.1 2,-0.2 0.546 89.4 81.0 -83.4 -5.8 -9.0 -3.2 0.1 104 148 A T S <> S- 0 0 15 -3,-1.5 4,-2.6 -4,-0.3 5,-0.2 -0.609 95.8-110.3 -95.8 160.8 -7.6 -4.6 -3.1 105 149 A L H > S+ 0 0 0 -36,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.938 115.3 44.3 -58.2 -47.2 -6.9 -8.3 -3.5 106 150 A L H > S+ 0 0 11 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.905 114.1 47.9 -71.7 -40.3 -3.1 -7.8 -3.7 107 151 A G H > S+ 0 0 0 -6,-0.6 4,-1.7 1,-0.2 -5,-0.3 0.911 113.4 49.4 -63.3 -37.7 -2.8 -5.4 -0.8 108 152 A Y H < S+ 0 0 73 -4,-2.6 -2,-0.2 -7,-0.4 -1,-0.2 0.912 108.5 54.0 -67.4 -40.0 -5.1 -7.7 1.3 109 153 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 119.4 31.5 -57.2 -44.6 -2.9 -10.8 0.5 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.5 -5,-0.2 -1,-0.2 0.575 81.3 129.5 -97.5 -12.0 0.4 -9.1 1.6 111 155 A D T 3< S- 0 0 22 -4,-1.7 3,-0.1 1,-0.3 -4,-0.0 -0.252 87.3 -2.8 -54.4 131.1 -0.6 -6.8 4.4 112 156 A D T 3 S+ 0 0 116 1,-0.2 -1,-0.3 -100,-0.0 2,-0.2 0.346 107.1 122.9 69.9 4.2 1.5 -7.3 7.5 113 157 A L < - 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0 0 22 -5,-2.0 3,-0.3 1,-0.1 -1,-0.2 -0.886 23.4-146.5-169.6 143.1 19.0 -3.9 0.2 137 181 A S S S+ 0 0 36 -2,-0.3 2,-0.9 1,-0.2 -5,-0.1 0.723 92.5 74.8 -83.4 -19.9 16.1 -2.1 -1.0 138 182 A N S S+ 0 0 34 -83,-0.3 -81,-2.5 4,-0.1 -1,-0.2 -0.260 71.4 132.2 -87.1 42.4 15.4 -4.5 -4.0 139 183 A N S > S- 0 0 7 -2,-0.9 4,-2.8 -3,-0.3 5,-0.4 -0.517 72.5-100.7 -91.8 166.6 14.1 -7.2 -1.7 140 184 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -24,-0.1 0.879 117.8 42.1 -56.4 -45.9 10.8 -9.2 -2.3 141 185 A V H > S+ 0 0 24 -26,-0.5 4,-2.4 1,-0.2 5,-0.2 0.947 116.7 45.4 -71.7 -52.7 8.7 -7.2 0.2 142 186 A S H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.903 113.9 49.0 -53.8 -42.9 9.8 -3.7 -0.7 143 187 A V H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.883 108.7 54.4 -68.5 -37.9 9.6 -4.3 -4.3 144 188 A F H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.4 5,-0.3 0.960 110.8 44.4 -55.9 -50.6 6.1 -5.7 -4.0 145 189 A W H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.3 5,-0.2 0.843 112.8 50.5 -69.3 -38.2 4.8 -2.7 -2.2 146 190 A K H X S+ 0 0 41 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.926 114.7 46.0 -63.8 -43.1 6.5 -0.2 -4.5 147 191 A T H X S+ 0 0 1 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.957 117.8 39.1 -64.7 -48.5 4.9 -2.2 -7.5 148 192 A V H X S+ 0 0 7 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.881 115.6 54.0 -74.0 -33.2 1.4 -2.5 -6.2 149 193 A S H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.879 106.0 51.9 -70.0 -38.6 1.4 1.1 -4.7 150 194 A R H X S+ 0 0 46 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.941 110.4 47.8 -65.2 -40.4 2.4 2.7 -8.0 151 195 A R H X S+ 0 0 119 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.890 111.8 50.9 -66.8 -38.2 -0.4 0.9 -9.9 152 196 A F H >X S+ 0 0 10 -4,-2.2 3,-0.9 1,-0.2 4,-0.6 0.926 110.9 47.8 -64.4 -45.3 -3.0 1.9 -7.2 153 197 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 34,-0.5 0.911 107.0 56.4 -64.1 -35.4 -1.9 5.6 -7.3 154 198 A E H 3< S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.706 103.4 57.5 -66.0 -19.4 -2.1 5.5 -11.2 155 199 A A H << S+ 0 0 31 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.638 86.2 105.5 -88.7 -10.8 -5.7 4.4 -10.8 156 200 A A << + 0 0 0 -3,-1.3 31,-0.4 -4,-0.6 2,-0.3 -0.250 42.6 170.0 -78.8 151.7 -6.8 7.4 -8.7 157 201 A c + 0 0 8 -82,-2.4 34,-0.3 2,-0.2 -79,-0.3 -0.949 44.6 9.1-142.0 170.8 -8.9 10.3 -10.0 158 202 A D E S+ d 0 191C 79 32,-2.9 34,-2.5 -2,-0.3 35,-1.7 -0.423 120.9 2.8 63.2-126.6 -10.8 13.4 -8.8 159 203 A V E S- d 0 193C 42 -83,-0.3 2,-0.4 -2,-0.2 -81,-0.3 -0.911 70.5-168.2 -98.5 123.2 -10.1 14.0 -5.1 160 204 A V E - 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