==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-08 3DZJ . 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) . 25321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 67.3 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 . 10 2.0 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 . 46 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 29.8 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 3 1 0 4 0 0 3 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.0 22.2 -20.8 13.6 2 46 A W + 0 0 219 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.242 360.0 37.9-116.3 3.4 22.8 -18.1 16.1 3 47 A R S S- 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.761 83.9-152.7-118.8 -49.8 23.3 -15.4 13.4 4 48 A Q - 0 0 56 1,-0.1 -2,-0.0 124,-0.0 124,-0.0 0.315 27.8-103.0 75.9 150.5 21.1 -15.7 10.3 5 49 A T S S+ 0 0 82 123,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.879 98.5 34.0 -74.4 -42.4 21.9 -14.6 6.7 6 50 A W S S- 0 0 52 2,-0.2 4,-0.1 124,-0.1 123,-0.0 -0.678 71.5-128.8-114.8 167.2 19.8 -11.4 6.7 7 51 A S S S+ 0 0 74 -2,-0.2 3,-0.1 121,-0.1 -1,-0.0 0.454 81.3 85.9 -91.8 -9.6 18.7 -8.7 9.2 8 52 A G E S-A 129 0A 9 121,-1.5 121,-1.4 1,-0.1 -2,-0.2 -0.596 91.2 -92.0 -91.6 154.2 15.0 -8.9 8.6 9 53 A P E -A 128 0A 105 0, 0.0 119,-0.2 0, 0.0 120,-0.2 -0.317 52.3-109.4 -57.1 153.4 12.4 -11.3 10.2 10 54 A G - 0 0 16 117,-0.5 116,-0.3 116,-0.3 119,-0.2 -0.003 52.4 -52.5 -79.3-176.5 12.0 -14.4 8.0 11 55 A T - 0 0 7 114,-2.3 104,-0.3 117,-0.2 -1,-0.2 -0.298 69.4 -94.6 -59.3 139.6 8.9 -15.5 6.0 12 56 A T > - 0 0 43 102,-2.7 3,-1.4 1,-0.1 -1,-0.1 -0.281 52.6 -97.2 -54.1 131.2 5.6 -15.5 7.9 13 57 A K T 3 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.228 108.7 11.6 -51.3 142.5 5.0 -19.0 9.2 14 58 A R T 3> S+ 0 0 148 -3,-0.1 4,-2.7 1,-0.1 -1,-0.3 0.806 81.2 162.4 53.4 34.2 2.6 -21.0 6.9 15 59 A F H <> + 0 0 0 -3,-1.4 4,-2.5 1,-0.2 5,-0.3 0.899 67.7 50.2 -47.6 -53.7 3.0 -18.3 4.2 16 60 A P H > S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.918 115.6 41.7 -54.9 -46.3 1.7 -20.5 1.3 17 61 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.854 113.9 53.4 -70.4 -38.7 -1.4 -21.6 3.2 18 62 A T H X S+ 0 0 43 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.903 111.6 44.0 -63.3 -45.3 -2.0 -18.1 4.6 19 63 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 114.6 49.3 -67.0 -46.4 -1.9 -16.5 1.1 20 64 A L H X S+ 0 0 56 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.910 112.5 47.9 -60.1 -44.2 -4.1 -19.2 -0.5 21 65 A A H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.869 111.0 51.9 -60.8 -44.3 -6.7 -18.9 2.4 22 66 A R H X S+ 0 0 60 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.891 109.6 49.5 -57.6 -41.3 -6.7 -15.1 2.0 23 67 A a H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.923 111.6 48.4 -68.0 -46.9 -7.3 -15.5 -1.7 24 68 A V H X S+ 0 0 59 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.967 113.8 46.5 -51.6 -54.3 -10.2 -17.9 -1.2 25 69 A K H X S+ 0 0 115 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.928 114.4 46.4 -60.7 -49.1 -11.8 -15.7 1.5 26 70 A Y H X S+ 0 0 6 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.925 113.5 47.6 -56.4 -47.9 -11.5 -12.5 -0.6 27 71 A T H < S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.757 110.9 53.3 -74.2 -20.6 -12.8 -14.0 -3.8 28 72 A E H < S+ 0 0 139 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.886 116.6 37.7 -71.4 -41.6 -15.7 -15.5 -1.8 29 73 A I H < S+ 0 0 120 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.879 110.1 60.6 -78.8 -43.0 -16.7 -12.1 -0.4 30 74 A H >< - 0 0 62 -4,-3.1 3,-1.4 -5,-0.2 -1,-0.1 -0.778 67.4-159.5 -97.1 110.3 -16.0 -9.8 -3.4 31 75 A P G > S+ 0 0 80 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.809 85.5 61.8 -68.3 -27.5 -18.1 -10.8 -6.3 32 76 A E G 3 S+ 0 0 92 1,-0.3 3,-0.5 2,-0.1 -5,-0.1 0.776 100.9 57.0 -65.6 -21.5 -16.1 -9.1 -9.0 33 77 A M G < S+ 0 0 2 -3,-1.4 3,-0.3 -7,-0.2 -1,-0.3 0.039 72.1 105.9 -97.8 26.4 -13.1 -11.4 -8.1 34 78 A R < + 0 0 193 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.708 70.0 64.5 -76.2 -22.8 -15.0 -14.6 -8.7 35 79 A H S S+ 0 0 140 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 0.834 81.5 107.5 -65.5 -31.2 -13.2 -15.3 -12.0 36 80 A V - 0 0 18 -3,-0.3 2,-0.7 1,-0.1 3,-0.1 -0.234 62.1-148.1 -62.0 123.0 -9.9 -15.7 -10.1 37 81 A D > - 0 0 91 1,-0.1 4,-1.8 -2,-0.1 3,-0.3 -0.821 8.4-154.9 -89.4 115.9 -8.3 -19.1 -9.6 38 82 A a H > S+ 0 0 17 -2,-0.7 4,-2.4 1,-0.2 -1,-0.1 0.794 90.6 56.0 -69.9 -25.5 -6.6 -18.9 -6.2 39 83 A Q H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 107.3 49.7 -69.2 -40.4 -4.0 -21.7 -7.1 40 84 A S H > S+ 0 0 52 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.869 110.0 52.2 -66.6 -34.4 -2.9 -19.7 -10.2 41 85 A V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.937 110.1 47.3 -67.9 -46.3 -2.6 -16.7 -8.0 42 86 A W H X S+ 0 0 19 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.928 111.0 52.1 -58.1 -47.4 -0.4 -18.6 -5.5 43 87 A D H X S+ 0 0 69 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.896 111.6 46.0 -56.1 -44.4 1.7 -19.9 -8.4 44 88 A A H X S+ 0 0 14 -4,-2.2 4,-1.0 2,-0.2 21,-0.4 0.851 113.1 49.7 -65.0 -36.8 2.3 -16.4 -9.8 45 89 A F H >X S+ 0 0 0 -4,-2.2 3,-0.7 2,-0.2 4,-0.5 0.956 113.9 45.7 -69.3 -47.6 3.1 -15.0 -6.3 46 90 A K H >X S+ 0 0 79 -4,-3.1 4,-2.6 1,-0.2 3,-1.3 0.909 106.8 59.7 -58.2 -46.5 5.6 -17.9 -5.7 47 91 A G H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 95.6 64.6 -56.0 -28.1 7.1 -17.4 -9.2 48 92 A A H << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 10,-0.2 0.782 123.1 7.9 -66.6 -32.1 8.0 -13.9 -8.4 49 93 A F H X< S+ 0 0 1 -3,-1.3 3,-1.3 -4,-0.5 68,-0.3 0.502 94.8 108.6-130.5 -11.6 10.6 -14.8 -5.6 50 94 A I T 3< S+ 0 0 25 -4,-2.6 72,-0.1 1,-0.3 3,-0.1 -0.519 95.6 5.3 -75.8 140.1 11.2 -18.5 -5.5 51 95 A S T 3 S+ 0 0 60 70,-0.7 2,-0.3 72,-0.3 -1,-0.3 0.707 109.1 114.3 60.6 24.0 14.6 -19.6 -6.7 52 96 A K S < S- 0 0 62 -3,-1.3 65,-0.2 69,-0.1 -1,-0.2 -0.928 79.6-101.8-125.0 147.1 15.6 -15.9 -7.1 53 97 A H > - 0 0 82 -2,-0.3 3,-3.0 3,-0.2 65,-0.1 -0.554 31.7-136.5 -70.6 124.8 18.2 -13.9 -5.2 54 98 A P T 3 S+ 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.453 102.6 52.6 -75.0 4.7 16.2 -12.0 -2.7 55 99 A b T 3 S+ 0 0 28 84,-0.1 83,-0.3 1,-0.1 84,-0.2 0.218 103.1 60.6-108.8 11.1 18.3 -8.8 -3.3 56 100 A D S < S+ 0 0 113 -3,-3.0 2,-0.3 80,-0.1 -3,-0.2 -0.126 70.8 137.9-127.6 38.5 17.7 -9.1 -7.1 57 101 A I - 0 0 2 81,-2.4 2,-0.3 -3,-0.2 -8,-0.1 -0.649 31.2-166.0 -87.5 143.1 13.9 -8.8 -7.3 58 102 A T >> - 0 0 25 -2,-0.3 3,-1.2 -10,-0.2 4,-0.7 -0.861 36.6-115.6-124.7 158.4 12.3 -6.6 -10.0 59 103 A E G >4 S+ 0 0 38 -2,-0.3 3,-1.1 1,-0.3 4,-0.5 0.864 117.6 65.5 -55.6 -32.0 8.9 -5.2 -10.7 60 104 A E G >4 S+ 0 0 98 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.804 90.5 63.7 -62.3 -29.5 9.0 -7.5 -13.7 61 105 A D G <4 S+ 0 0 32 -3,-1.2 4,-0.3 1,-0.3 -1,-0.3 0.834 103.8 47.1 -63.6 -34.6 9.1 -10.5 -11.4 62 106 A Y G S+ 0 0 76 -3,-1.0 4,-2.2 -4,-0.5 5,-0.2 0.908 80.9 53.0 -57.5 -45.4 3.9 -9.0 -13.5 64 108 A P H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.925 113.4 45.1 -51.4 -41.6 2.3 -12.5 -13.7 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.932 111.1 53.0 -66.9 -47.0 0.7 -11.8 -10.2 66 110 A M H < S+ 0 0 1 -4,-2.6 -1,-0.2 2,-0.2 -3,-0.2 0.863 108.4 50.9 -52.6 -40.6 -0.4 -8.3 -11.2 67 111 A K H >< S+ 0 0 136 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.953 111.6 45.7 -67.8 -47.1 -2.1 -9.6 -14.3 68 112 A L H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 114.1 50.1 -63.7 -31.8 -4.0 -12.2 -12.3 69 113 A G T 3< S+ 0 0 3 -4,-2.1 37,-0.4 -5,-0.1 -1,-0.3 0.195 76.8 145.3 -93.1 14.5 -4.9 -9.7 -9.7 70 114 A T < + 0 0 78 -3,-1.5 2,-0.3 -5,-0.1 -3,-0.1 -0.284 24.3 170.1 -50.5 127.1 -6.2 -7.0 -12.2 71 115 A Q - 0 0 39 2,-0.0 2,-0.3 33,-0.0 -2,-0.0 -0.941 35.3-130.2-155.0 127.2 -9.1 -5.3 -10.4 72 116 A T - 0 0 131 -2,-0.3 -40,-0.1 -40,-0.1 83,-0.0 -0.633 26.8-173.9 -73.7 131.3 -11.2 -2.2 -11.1 73 117 A V - 0 0 20 -2,-0.3 2,-0.4 82,-0.1 5,-0.1 -0.970 42.3 -95.2-125.1 134.9 -11.4 0.1 -8.0 74 118 A P > - 0 0 60 0, 0.0 3,-2.1 0, 0.0 25,-0.2 -0.410 39.6-148.7 -53.4 112.9 -13.8 3.2 -8.0 75 119 A c T 3 S+ 0 0 48 -2,-0.4 82,-2.6 1,-0.3 3,-0.5 0.736 90.4 51.4 -66.4 -25.3 -11.1 5.7 -9.1 76 120 A N T 3 S+ 0 0 69 1,-0.2 -1,-0.3 80,-0.2 83,-0.2 0.308 102.4 61.9 -89.0 2.4 -12.7 8.6 -7.2 77 121 A K S < S+ 0 0 64 -3,-2.1 22,-2.7 20,-0.1 2,-0.4 -0.092 70.7 135.8-119.3 31.3 -12.9 6.8 -3.9 78 122 A I B -b 99 0B 0 -3,-0.5 83,-2.1 81,-0.3 2,-0.5 -0.671 33.6-165.6 -93.7 133.2 -9.2 6.0 -3.2 79 123 A L E -c 161 0C 1 20,-3.1 22,-0.4 -2,-0.4 83,-0.2 -0.977 6.8-173.8-116.2 120.0 -7.7 6.5 0.3 80 124 A L E -c 162 0C 3 81,-3.2 83,-2.0 -2,-0.5 2,-0.3 -0.581 6.5-172.8 -96.6 168.0 -3.9 6.5 0.5 81 125 A W E -c 163 0C 53 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.973 15.7-143.8-153.4 165.5 -2.1 6.6 3.9 82 126 A S E S-c 164 0C 7 81,-1.8 2,-2.5 -2,-0.3 83,-0.5 -0.980 73.4 -30.9-136.7 127.6 1.4 7.0 5.2 83 127 A R S S+ 0 0 115 -2,-0.4 2,-0.6 81,-0.1 81,-0.1 -0.215 119.6 82.2 72.9 -46.9 2.9 5.2 8.3 84 128 A I + 0 0 41 -2,-2.5 -2,-0.2 79,-0.3 4,-0.2 -0.840 47.8 154.3 -94.0 103.0 -0.5 5.2 10.0 85 129 A K > + 0 0 38 -2,-0.6 4,-2.3 2,-0.1 5,-0.2 0.704 55.5 69.0-104.0 -31.5 -2.6 2.2 8.7 86 130 A D H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 100.8 45.1 -69.1 -42.1 -5.1 1.3 11.4 87 131 A L H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 110.9 55.7 -62.6 -43.4 -7.4 4.3 11.3 88 132 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.951 112.5 42.1 -54.6 -47.1 -7.4 4.1 7.5 89 133 A H H X S+ 0 0 30 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.888 113.4 51.0 -70.3 -39.4 -8.7 0.6 7.7 90 134 A Q H X S+ 0 0 100 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.858 111.7 50.2 -61.4 -39.7 -11.2 1.2 10.5 91 135 A F H >X S+ 0 0 9 -4,-2.9 4,-3.3 1,-0.2 3,-1.1 0.952 110.8 46.3 -64.1 -52.7 -12.6 4.1 8.5 92 136 A T H 3< S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.795 103.3 65.2 -65.9 -23.9 -13.0 2.1 5.3 93 137 A Q H 3< S+ 0 0 141 -4,-1.7 -1,-0.2 -5,-0.2 3,-0.2 0.777 118.8 24.8 -66.5 -29.9 -14.6 -0.8 7.3 94 138 A V H << S+ 0 0 55 -3,-1.1 2,-3.7 -4,-0.8 -2,-0.2 0.830 123.3 53.6 -88.5 -62.3 -17.5 1.6 8.1 95 139 A Q S >< S+ 0 0 73 -4,-3.3 3,-0.8 1,-0.2 -1,-0.2 -0.344 71.9 174.7 -73.7 65.0 -17.1 3.9 5.1 96 140 A R T 3 + 0 0 194 -2,-3.7 -1,-0.2 1,-0.3 -4,-0.1 0.374 67.6 72.7 -65.7 11.8 -17.3 0.8 3.0 97 141 A D T 3 S+ 0 0 66 2,-0.0 -1,-0.3 -19,-0.0 -5,-0.1 0.919 82.6 65.0 -88.5 -63.1 -17.2 3.4 0.2 98 142 A M S < S- 0 0 26 -3,-0.8 2,-0.4 -7,-0.1 -20,-0.2 -0.289 74.4-151.4 -64.4 155.2 -13.5 4.6 0.3 99 143 A F B -b 78 0B 50 -22,-2.7 -20,-3.1 -25,-0.2 2,-0.2 -0.990 10.1-162.4-132.0 133.2 -10.9 2.0 -0.6 100 144 A T > - 0 0 0 -2,-0.4 3,-1.8 -22,-0.2 4,-0.3 -0.609 42.1-100.4 -99.0 173.1 -7.3 1.5 0.5 101 145 A L G > S+ 0 0 10 -22,-0.4 3,-1.8 1,-0.3 6,-0.7 0.867 123.8 59.8 -58.3 -34.4 -4.7 -0.7 -1.3 102 146 A E G 3 S+ 0 0 16 1,-0.3 -1,-0.3 5,-0.3 9,-0.1 0.508 93.2 66.4 -81.4 0.2 -5.3 -3.4 1.4 103 147 A D G < S+ 0 0 35 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.510 90.5 82.6 -93.6 -5.2 -9.0 -3.4 0.4 104 148 A T S <> S- 0 0 17 -3,-1.8 4,-2.8 -4,-0.3 5,-0.2 -0.546 95.5-108.2 -92.5 161.5 -7.9 -4.9 -3.0 105 149 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.965 118.8 45.3 -55.6 -50.7 -7.1 -8.5 -3.7 106 150 A L H > S+ 0 0 7 -37,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.905 115.9 43.8 -64.2 -48.3 -3.4 -7.9 -4.0 107 151 A G H > S+ 0 0 0 -6,-0.7 4,-1.9 1,-0.2 -5,-0.3 0.895 114.0 52.1 -59.8 -42.4 -3.1 -5.6 -0.9 108 152 A Y H < S+ 0 0 72 -4,-2.8 -2,-0.2 -7,-0.4 -1,-0.2 0.904 106.9 53.1 -59.5 -45.0 -5.3 -8.0 1.1 109 153 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.892 120.1 31.6 -57.1 -43.3 -3.1 -11.1 0.2 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.2 -1,-0.2 0.625 81.4 130.6 -97.9 -12.5 0.1 -9.5 1.4 111 155 A D T 3< S- 0 0 26 -4,-1.9 3,-0.1 1,-0.3 -3,-0.0 -0.166 86.0 -4.8 -54.9 128.9 -0.9 -7.2 4.2 112 156 A D T 3 S+ 0 0 121 1,-0.2 2,-0.3 -100,-0.0 -1,-0.3 0.470 107.8 118.2 70.1 7.3 1.3 -7.7 7.4 113 157 A L < - 0 0 13 -3,-2.4 2,-0.3 -101,-0.1 -1,-0.2 -0.713 47.1-158.8-103.8 157.4 3.2 -10.6 5.8 114 158 A T + 0 0 45 -2,-0.3 -102,-2.7 -104,-0.1 2,-0.3 -0.960 17.9 167.8-129.5 144.9 6.9 -11.0 5.0 115 159 A W + 0 0 0 -2,-0.3 26,-0.4 -104,-0.3 2,-0.3 -0.981 6.8 158.8-155.8 147.7 8.4 -13.5 2.5 116 160 A d - 0 0 0 -2,-0.3 9,-2.5 9,-0.1 2,-0.2 -0.963 16.1-154.0-161.1 164.9 11.6 -14.3 0.6 117 161 A G B -F 124 0D 1 -2,-0.3 2,-0.3 -68,-0.3 7,-0.2 -0.439 23.7-101.6-122.0-158.9 13.3 -17.3 -1.2 118 162 A E - 0 0 63 5,-0.5 3,-0.3 3,-0.5 -67,-0.3 -0.967 12.0-135.5-132.7 145.1 16.9 -18.4 -2.0 119 163 A F S S+ 0 0 150 -2,-0.3 -66,-0.1 1,-0.2 -1,-0.1 0.926 104.6 45.2 -64.3 -41.0 19.0 -18.2 -5.1 120 164 A A S S+ 0 0 99 -68,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.647 119.0 26.7 -81.7 -13.3 20.3 -21.8 -4.9 121 165 A T S S- 0 0 37 -3,-0.3 -70,-0.7 2,-0.2 -3,-0.5 -0.818 71.6-116.7-140.7 170.2 17.0 -23.5 -4.0 122 166 A S S S+ 0 0 91 -2,-0.2 2,-0.2 -72,-0.1 -3,-0.1 0.115 74.2 123.5 -97.4 22.6 13.3 -23.5 -4.3 123 167 A K - 0 0 132 -5,-0.1 -5,-0.5 -73,-0.0 2,-0.3 -0.570 64.2-125.1 -86.3 146.2 12.9 -23.2 -0.5 124 168 A I B -F 117 0D 28 -2,-0.2 2,-1.0 -7,-0.2 -7,-0.2 -0.691 27.8-125.6 -80.1 139.0 11.1 -20.4 1.3 125 169 A N + 0 0 18 -9,-2.5 -114,-2.3 -2,-0.3 -9,-0.1 -0.797 36.1 169.6 -95.3 98.4 13.4 -18.8 3.8 126 170 A Y + 0 0 95 -2,-1.0 -116,-0.3 -116,-0.3 -1,-0.2 0.400 69.3 63.8 -84.3 2.2 11.6 -18.9 7.1 127 171 A Q S S- 0 0 125 1,-0.4 -117,-0.5 -118,-0.1 2,-0.3 0.868 113.8 -18.5 -98.8 -43.1 14.7 -17.8 9.0 128 172 A S E -A 9 0A 3 -119,-0.2 -1,-0.4 -12,-0.1 -118,-0.2 -0.977 50.6-159.2-158.5 158.6 15.4 -14.3 7.8 129 173 A d E -A 8 0A 5 -121,-1.4 -121,-1.5 -2,-0.3 -13,-0.1 -0.964 42.6 -78.8-136.0 154.0 14.7 -11.9 4.9 130 174 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 11,-0.1 -0.160 38.8-133.3 -55.2 135.9 16.6 -8.8 3.7 131 175 A D >> - 0 0 50 1,-0.1 4,-2.3 -123,-0.1 5,-1.8 -0.757 15.1-132.0 -85.1 137.8 16.0 -5.6 5.6 132 176 A W T 45S+ 0 0 145 -2,-0.4 -1,-0.1 3,-0.2 6,-0.1 0.906 103.4 32.0 -58.0 -42.4 15.3 -2.7 3.3 133 177 A R T 45S+ 0 0 187 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.965 127.0 35.6 -81.9 -54.4 17.8 -0.5 5.0 134 178 A K T 45S+ 0 0 153 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.794 132.3 17.4 -73.4 -32.2 20.5 -2.9 6.3 135 179 A D T <5S- 0 0 52 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.871 118.8 -40.1-108.6 -65.5 20.6 -5.4 3.4 136 180 A b < - 0 0 22 -5,-1.8 3,-0.3 -82,-0.1 -1,-0.3 -0.941 27.5-139.9-166.5 149.7 19.0 -4.3 0.1 137 181 A S S S+ 0 0 46 -2,-0.3 2,-0.9 1,-0.2 -5,-0.1 0.680 94.2 74.6 -86.7 -17.7 16.0 -2.4 -1.2 138 182 A N S S+ 0 0 48 -83,-0.3 -81,-2.4 4,-0.1 -1,-0.2 -0.223 71.1 133.7 -92.2 46.0 15.3 -4.8 -4.1 139 183 A N S > S- 0 0 7 -2,-0.9 4,-2.6 -3,-0.3 5,-0.3 -0.491 70.9-103.7 -92.9 162.7 13.9 -7.5 -1.8 140 184 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -24,-0.1 0.873 116.8 42.2 -60.0 -39.3 10.7 -9.4 -2.4 141 185 A V H > S+ 0 0 25 -26,-0.4 4,-2.2 2,-0.2 5,-0.2 0.919 116.4 45.6 -71.8 -44.0 8.5 -7.5 0.1 142 186 A S H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 113.8 49.8 -71.3 -40.4 9.7 -4.0 -0.7 143 187 A V H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.888 108.9 52.6 -59.7 -44.0 9.5 -4.6 -4.4 144 188 A F H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.3 5,-0.3 0.947 112.2 44.4 -57.9 -50.8 5.9 -5.9 -4.2 145 189 A W H X S+ 0 0 45 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.851 112.1 52.6 -69.8 -32.6 4.7 -2.9 -2.2 146 190 A K H X S+ 0 0 52 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.959 113.2 44.5 -62.6 -48.8 6.5 -0.5 -4.5 147 191 A T H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.938 119.0 40.3 -61.7 -50.5 4.9 -2.1 -7.6 148 192 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.855 114.0 52.3 -69.8 -34.6 1.3 -2.3 -6.2 149 193 A S H X S+ 0 0 9 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.870 110.8 50.5 -71.5 -37.7 1.4 1.1 -4.4 150 194 A R H X S+ 0 0 70 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.958 111.1 45.6 -56.7 -59.2 2.4 2.6 -7.7 151 195 A R H X S+ 0 0 81 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.876 111.5 54.0 -56.5 -37.7 -0.3 1.0 -9.7 152 196 A F H >X S+ 0 0 12 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.937 109.0 47.8 -65.9 -41.3 -2.9 1.9 -7.1 153 197 A A H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 34,-0.4 0.899 108.0 56.3 -63.1 -40.1 -1.9 5.6 -7.2 154 198 A E H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.708 101.6 58.4 -64.7 -16.9 -2.1 5.5 -11.1 155 199 A A H << S+ 0 0 34 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.640 85.7 107.1 -87.3 -15.7 -5.7 4.3 -10.8 156 200 A A << + 0 0 0 -3,-1.3 31,-0.4 -4,-0.5 2,-0.3 -0.245 41.3 170.5 -72.9 154.4 -6.9 7.3 -8.9 157 201 A c + 0 0 10 -82,-2.6 34,-0.3 2,-0.2 -79,-0.3 -0.924 47.8 5.0-146.6 168.4 -9.0 10.2 -10.3 158 202 A D E S+ d 0 191C 80 32,-2.4 34,-2.2 -2,-0.3 35,-1.9 -0.305 122.1 5.2 63.6-117.9 -10.9 13.3 -9.1 159 203 A V E S- d 0 193C 44 -83,-0.2 2,-0.4 33,-0.2 -81,-0.3 -0.906 70.8-169.1-103.6 123.7 -10.3 13.8 -5.3 160 204 A V E - 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