==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-09 3I9M . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,R.GRAEFF,I.A.KRIKSUNOV,H.JIANG,B.ZHANG,N.OPPENHEIMER, . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 67.5 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 . 0 0.0 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 . 38 7.5 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 . 155 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 3 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 . 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 0 254 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.6 21.4 -20.8 14.9 2 46 A W + 0 0 200 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.368 360.0 33.0-102.7 -0.9 23.1 -17.7 16.4 3 47 A R S S- 0 0 178 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.883 71.4-145.8-154.9 127.5 23.4 -15.5 13.3 4 48 A Q - 0 0 74 -2,-0.3 124,-0.0 2,-0.2 125,-0.0 -0.428 23.5-118.2 -91.5 166.2 21.0 -15.2 10.3 5 49 A T S S+ 0 0 107 -2,-0.1 2,-0.2 123,-0.1 -1,-0.1 0.907 97.2 33.6 -66.8 -43.5 21.9 -14.4 6.7 6 50 A W S S- 0 0 52 2,-0.2 -2,-0.2 124,-0.1 4,-0.0 -0.689 76.6-125.6-113.7 166.8 19.9 -11.2 6.6 7 51 A S S S+ 0 0 67 -2,-0.2 -1,-0.1 124,-0.1 -3,-0.0 0.586 83.1 74.0 -87.2 -13.7 19.0 -8.5 9.2 8 52 A G E S-A 129 0A 9 121,-1.4 121,-1.4 1,-0.1 -2,-0.2 -0.603 93.7 -77.3 -99.2 161.8 15.2 -8.5 8.9 9 53 A P E -A 128 0A 101 0, 0.0 120,-0.3 0, 0.0 119,-0.2 -0.151 52.7-114.5 -44.5 144.5 12.5 -11.0 10.1 10 54 A G - 0 0 16 117,-0.5 116,-0.3 116,-0.3 119,-0.2 -0.131 53.2 -51.7 -81.4 177.4 12.1 -14.2 8.1 11 55 A T - 0 0 7 114,-2.3 104,-0.3 117,-0.3 -1,-0.2 -0.202 69.5 -97.1 -54.3 137.8 9.1 -15.3 6.1 12 56 A T > - 0 0 41 102,-2.9 3,-1.3 1,-0.1 -1,-0.1 -0.299 55.0 -91.1 -56.5 138.9 5.8 -15.1 8.0 13 57 A K T 3 S+ 0 0 172 1,-0.3 5,-0.1 2,-0.1 -1,-0.1 -0.171 108.4 7.4 -58.6 142.9 5.0 -18.6 9.3 14 58 A R T 3> S+ 0 0 152 -3,-0.1 4,-2.7 1,-0.1 -1,-0.3 0.813 80.8 166.6 53.6 36.0 2.9 -20.7 7.1 15 59 A F H <> + 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.882 67.8 50.5 -44.1 -51.6 3.2 -18.1 4.4 16 60 A P H > S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 114.3 42.7 -62.5 -42.1 1.9 -20.3 1.5 17 61 A E H > S+ 0 0 94 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.920 113.9 53.3 -65.8 -44.1 -1.2 -21.4 3.4 18 62 A T H X S+ 0 0 39 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.903 111.8 43.5 -59.2 -51.3 -1.8 -17.9 4.7 19 63 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.939 114.5 49.5 -58.7 -49.4 -1.7 -16.3 1.2 20 64 A L H X S+ 0 0 54 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.906 112.8 47.7 -61.0 -39.8 -3.9 -19.0 -0.4 21 65 A A H X S+ 0 0 60 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.866 110.8 51.1 -69.1 -41.9 -6.5 -18.7 2.4 22 66 A R H X S+ 0 0 60 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.921 110.8 49.4 -57.1 -44.7 -6.5 -14.9 2.1 23 67 A a H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.968 111.3 48.2 -62.1 -51.9 -7.1 -15.3 -1.7 24 68 A V H X S+ 0 0 60 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.954 115.9 44.5 -50.5 -53.3 -9.9 -17.8 -1.2 25 69 A K H X S+ 0 0 116 -4,-2.6 4,-2.1 1,-0.2 3,-0.4 0.921 113.4 49.3 -58.9 -51.1 -11.6 -15.5 1.4 26 70 A Y H X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.899 111.7 49.2 -53.4 -44.1 -11.2 -12.3 -0.6 27 71 A T H < S+ 0 0 12 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.738 109.7 52.7 -76.7 -18.1 -12.6 -13.9 -3.7 28 72 A E H < S+ 0 0 140 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.873 114.9 40.1 -76.3 -41.3 -15.6 -15.3 -1.7 29 73 A I H < S+ 0 0 99 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.895 111.1 59.0 -73.6 -42.4 -16.5 -11.8 -0.3 30 74 A H >< - 0 0 49 -4,-2.5 3,-2.0 -5,-0.2 4,-0.3 -0.788 63.0-165.4-103.5 105.1 -15.8 -9.7 -3.4 31 75 A P G > S+ 0 0 70 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.758 87.0 67.0 -61.0 -28.6 -17.9 -10.7 -6.4 32 76 A E G 3 S+ 0 0 97 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.790 112.1 34.8 -61.6 -24.6 -15.7 -8.8 -8.8 33 77 A M G X S+ 0 0 3 -3,-2.0 3,-1.0 -7,-0.2 -1,-0.2 0.324 83.3 114.9-111.7 4.6 -13.0 -11.3 -8.0 34 78 A R T < S+ 0 0 183 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.749 78.3 50.1 -41.6 -38.3 -15.3 -14.4 -7.6 35 79 A H T 3 S+ 0 0 147 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.842 78.0 120.6 -78.0 -37.9 -13.7 -16.0 -10.6 36 80 A V < - 0 0 18 -3,-1.0 2,-0.8 1,-0.1 3,-0.1 0.068 62.6-132.2 -38.9 127.8 -10.0 -15.6 -9.7 37 81 A D > - 0 0 95 1,-0.2 4,-2.0 31,-0.1 3,-0.2 -0.798 16.1-161.6 -86.3 110.6 -8.2 -19.0 -9.4 38 82 A a H > S+ 0 0 12 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.797 86.5 58.6 -70.2 -31.9 -6.3 -18.7 -6.2 39 83 A Q H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 107.1 48.7 -62.7 -39.6 -3.9 -21.5 -6.9 40 84 A S H > S+ 0 0 43 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 110.0 53.1 -63.8 -43.6 -2.8 -19.6 -10.0 41 85 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.950 110.3 46.3 -54.3 -52.6 -2.4 -16.5 -7.8 42 86 A W H X S+ 0 0 21 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.908 111.7 51.9 -57.5 -44.8 -0.2 -18.4 -5.4 43 87 A D H X S+ 0 0 77 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.873 113.1 44.1 -58.6 -41.3 1.9 -19.8 -8.3 44 88 A A H X S+ 0 0 14 -4,-2.4 4,-1.0 2,-0.2 21,-0.4 0.870 114.1 50.1 -71.2 -35.7 2.4 -16.3 -9.7 45 89 A F H >X S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.2 4,-0.6 0.936 114.8 44.5 -67.5 -46.5 3.2 -14.9 -6.2 46 90 A K H >X S+ 0 0 80 -4,-3.2 4,-3.3 1,-0.2 3,-1.3 0.895 107.2 60.1 -58.8 -44.6 5.7 -17.7 -5.6 47 91 A G H 3< S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 95.6 63.0 -58.1 -30.3 7.2 -17.3 -9.1 48 92 A A H << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 10,-0.3 0.777 123.9 9.1 -67.4 -31.2 8.1 -13.7 -8.3 49 93 A F H X< S+ 0 0 0 -3,-1.3 3,-1.5 -4,-0.6 68,-0.3 0.625 93.6 107.4-126.5 -21.1 10.6 -14.6 -5.5 50 94 A I T 3< S+ 0 0 23 -4,-3.3 72,-0.1 1,-0.3 3,-0.1 -0.410 95.8 5.7 -69.6 141.0 11.2 -18.3 -5.3 51 95 A S T 3 S+ 0 0 51 70,-0.6 69,-0.9 72,-0.3 2,-0.3 0.691 108.3 113.9 63.5 17.9 14.7 -19.4 -6.5 52 96 A K S < S- 0 0 67 -3,-1.5 65,-0.3 67,-0.2 -1,-0.2 -0.909 80.4-102.1-117.8 147.2 15.6 -15.7 -6.9 53 97 A H > - 0 0 77 -2,-0.3 3,-2.0 3,-0.2 65,-0.1 -0.556 31.0-136.7 -66.9 131.0 18.3 -13.8 -5.0 54 98 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.307 103.1 53.7 -81.1 6.6 16.2 -11.7 -2.5 55 99 A b T 3 S+ 0 0 28 84,-0.1 83,-0.3 1,-0.1 84,-0.2 0.154 104.4 58.6-110.6 12.4 18.3 -8.6 -3.1 56 100 A D S < S+ 0 0 111 -3,-2.0 2,-0.3 81,-0.1 -3,-0.2 -0.151 70.2 137.8-134.6 40.7 17.7 -8.9 -6.9 57 101 A I - 0 0 3 81,-2.3 2,-0.3 -3,-0.1 -8,-0.1 -0.650 31.4-165.4 -88.0 142.5 13.9 -8.7 -7.2 58 102 A T >> - 0 0 38 -2,-0.3 4,-0.7 -10,-0.3 3,-0.7 -0.856 36.4-112.2-126.2 159.8 12.4 -6.6 -9.9 59 103 A E G >4 S+ 0 0 44 -2,-0.3 3,-0.9 1,-0.2 4,-0.3 0.851 118.1 62.0 -57.0 -31.4 9.0 -5.2 -10.7 60 104 A E G >4 S+ 0 0 93 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.855 91.9 65.2 -64.6 -33.2 9.0 -7.6 -13.7 61 105 A D G <4 S+ 0 0 25 -3,-0.7 4,-0.3 1,-0.3 -1,-0.3 0.842 104.6 45.6 -55.2 -34.4 9.2 -10.5 -11.2 62 106 A Y G S+ 0 0 61 -3,-1.7 4,-2.7 -4,-0.3 -1,-0.2 0.893 80.4 51.7 -62.7 -43.4 4.1 -9.0 -13.4 64 108 A P H > S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.930 114.8 44.2 -55.2 -45.2 2.4 -12.4 -13.6 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.4 -4,-0.3 -2,-0.2 0.892 111.8 53.4 -63.0 -45.1 0.9 -11.8 -10.1 66 110 A M H < S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.911 108.8 50.1 -56.0 -45.3 -0.1 -8.2 -11.1 67 111 A K H >< S+ 0 0 163 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.933 112.7 45.4 -60.1 -46.9 -1.8 -9.5 -14.2 68 112 A L H 3< S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 113.1 50.5 -68.4 -30.1 -3.8 -12.1 -12.2 69 113 A G T 3< S+ 0 0 8 -4,-2.4 37,-0.4 -5,-0.1 -1,-0.3 0.218 76.4 144.4 -95.4 13.4 -4.7 -9.5 -9.5 70 114 A T < + 0 0 103 -3,-1.3 2,-0.3 -4,-0.1 -3,-0.1 -0.252 25.5 165.1 -47.4 131.5 -6.0 -6.9 -12.1 71 115 A Q - 0 0 40 2,-0.0 2,-0.4 33,-0.0 -2,-0.1 -0.956 37.6-127.5-163.1 137.5 -8.9 -5.2 -10.4 72 116 A T - 0 0 133 -2,-0.3 -40,-0.1 -40,-0.1 83,-0.0 -0.705 25.5-178.1 -85.6 132.0 -11.1 -2.1 -10.7 73 117 A V - 0 0 19 -2,-0.4 2,-0.3 82,-0.1 5,-0.1 -0.985 46.9 -91.4-123.1 142.8 -11.4 0.1 -7.7 74 118 A P > - 0 0 56 0, 0.0 3,-2.0 0, 0.0 25,-0.2 -0.380 41.1-150.3 -51.4 109.1 -13.6 3.3 -7.7 75 119 A c G > S+ 0 0 45 -2,-0.3 82,-2.4 1,-0.3 3,-0.6 0.740 89.8 53.5 -62.1 -24.5 -10.9 5.7 -8.8 76 120 A N G 3 S+ 0 0 72 1,-0.2 -1,-0.3 80,-0.2 83,-0.3 0.386 102.3 59.3 -91.9 3.9 -12.5 8.7 -7.0 77 121 A K G < S+ 0 0 93 -3,-2.0 22,-2.5 81,-0.1 2,-0.3 -0.010 71.4 139.3-121.7 30.0 -12.7 7.0 -3.6 78 122 A I B < -b 99 0B 0 -3,-0.6 83,-2.4 81,-0.3 2,-0.6 -0.591 32.7-164.9 -84.0 134.6 -9.1 6.1 -3.0 79 123 A L E -c 161 0C 1 20,-2.9 22,-0.3 -2,-0.3 83,-0.2 -0.964 7.5-171.7-118.0 110.6 -7.6 6.6 0.5 80 124 A L E -c 162 0C 6 81,-3.4 83,-2.1 -2,-0.6 2,-0.3 -0.546 6.3-164.5 -89.2 166.5 -3.8 6.5 0.7 81 125 A W E -c 163 0C 68 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.990 16.9-156.8-150.1 154.4 -1.9 6.5 4.0 82 126 A S E S-c 164 0C 7 81,-2.1 83,-0.8 -2,-0.3 -2,-0.0 -0.946 81.3 -27.3-134.7 111.5 1.6 7.1 5.3 83 127 A R S S+ 0 0 103 -2,-0.4 81,-0.1 81,-0.1 3,-0.0 0.683 122.5 83.2 62.9 24.6 2.5 5.4 8.6 84 128 A I > + 0 0 22 79,-0.2 4,-1.6 2,-0.1 3,-0.2 -0.146 42.2 140.3-148.4 45.0 -1.1 5.3 9.8 85 129 A K H > + 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 65.5 62.4 -59.1 -40.5 -2.6 2.2 8.2 86 130 A D H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 106.9 41.8 -62.9 -42.5 -4.6 1.2 11.3 87 131 A L H > S+ 0 0 13 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 111.7 56.7 -67.8 -37.0 -6.9 4.3 11.4 88 132 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.961 111.7 43.5 -57.2 -46.7 -7.2 4.2 7.6 89 133 A H H X S+ 0 0 22 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.897 110.9 53.1 -64.2 -43.2 -8.5 0.7 7.9 90 134 A Q H X S+ 0 0 98 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.914 111.5 48.9 -59.4 -38.0 -10.8 1.5 10.8 91 135 A F H >X S+ 0 0 7 -4,-2.5 3,-1.3 1,-0.2 4,-0.6 0.950 110.8 45.4 -68.5 -53.6 -12.3 4.3 8.8 92 136 A T H 3X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.765 104.4 66.7 -66.5 -22.1 -13.0 2.4 5.5 93 137 A Q H 3< S+ 0 0 132 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.747 86.0 70.8 -70.4 -21.0 -14.5 -0.4 7.5 94 138 A V H << S- 0 0 46 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.954 131.9 -25.8 -61.8 -53.6 -17.4 1.6 8.7 95 139 A Q H < S- 0 0 98 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.2 0.131 87.1-101.0-153.3 24.1 -19.3 1.9 5.4 96 140 A R < + 0 0 182 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 0.856 62.2 157.5 59.2 40.7 -16.7 1.6 2.7 97 141 A D S S+ 0 0 61 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.1 0.863 70.2 8.8 -62.3 -34.7 -16.6 5.4 2.1 98 142 A M S S- 0 0 23 -6,-0.1 2,-0.4 -7,-0.0 -20,-0.2 -0.865 73.7-124.2-141.1 171.4 -13.1 4.9 0.6 99 143 A F B -b 78 0B 45 -22,-2.5 -20,-2.9 -2,-0.3 2,-0.2 -0.990 17.3-163.8-125.6 127.4 -10.8 2.1 -0.5 100 144 A T > - 0 0 0 -2,-0.4 3,-1.9 -22,-0.2 4,-0.2 -0.508 43.4 -98.1 -96.8 171.8 -7.2 1.6 0.7 101 145 A L G > S+ 0 0 14 -22,-0.3 3,-1.7 1,-0.3 6,-0.6 0.851 124.7 63.8 -60.7 -27.5 -4.6 -0.6 -1.0 102 146 A E G 3 S+ 0 0 12 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.568 90.9 66.2 -76.2 -5.4 -5.6 -3.4 1.6 103 147 A D G < S+ 0 0 44 -3,-1.9 -1,-0.3 4,-0.1 2,-0.2 0.482 90.0 79.6 -86.0 -4.7 -9.1 -3.4 0.1 104 148 A T S <> S- 0 0 13 -3,-1.7 4,-2.5 -4,-0.2 5,-0.2 -0.622 94.8-111.2 -98.2 159.8 -7.7 -4.7 -3.2 105 149 A L H > S+ 0 0 0 -2,-0.2 4,-2.6 -36,-0.2 5,-0.2 0.960 115.9 46.4 -56.2 -55.2 -6.9 -8.4 -3.6 106 150 A L H > S+ 0 0 13 -37,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.901 114.3 47.1 -61.4 -41.9 -3.1 -8.0 -3.8 107 151 A G H > S+ 0 0 0 -6,-0.6 4,-1.6 1,-0.2 -5,-0.2 0.909 112.5 50.2 -61.4 -42.5 -3.0 -5.6 -0.8 108 152 A Y H < S+ 0 0 69 -4,-2.5 -2,-0.2 -7,-0.4 -1,-0.2 0.913 108.8 52.8 -62.7 -41.8 -5.2 -7.9 1.2 109 153 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.915 119.5 32.8 -58.5 -43.2 -3.0 -10.9 0.4 110 154 A A H >< S+ 0 0 1 -4,-1.9 3,-2.5 -5,-0.2 -1,-0.2 0.559 80.7 133.7 -97.0 -9.7 0.2 -9.2 1.5 111 155 A D T 3< S- 0 0 24 -4,-1.6 3,-0.1 1,-0.3 -3,-0.0 -0.138 86.7 -7.4 -50.5 124.6 -1.0 -7.0 4.4 112 156 A D T 3 S+ 0 0 117 1,-0.2 -1,-0.3 -100,-0.0 2,-0.2 0.551 106.4 127.5 68.0 10.6 1.4 -7.4 7.4 113 157 A L < - 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0 0 20 -5,-1.8 3,-0.3 1,-0.1 -1,-0.2 -0.956 25.6-140.7-167.0 148.8 19.0 -4.1 0.2 137 181 A S S S+ 0 0 42 -2,-0.3 2,-1.0 1,-0.2 -5,-0.1 0.750 94.9 72.3 -79.2 -29.8 16.1 -2.1 -1.2 138 182 A N S S+ 0 0 46 -83,-0.3 -81,-2.3 4,-0.1 -1,-0.2 -0.259 71.4 136.4 -85.8 46.6 15.3 -4.6 -4.0 139 183 A N > - 0 0 7 -2,-1.0 4,-2.6 -3,-0.3 5,-0.3 -0.474 69.2-103.8 -94.5 163.2 13.9 -7.2 -1.7 140 184 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -24,-0.1 0.889 117.6 43.2 -55.4 -40.8 10.7 -9.3 -2.3 141 185 A V H > S+ 0 0 30 -26,-0.4 4,-2.2 2,-0.2 5,-0.2 0.948 116.7 44.2 -72.8 -49.6 8.5 -7.3 0.1 142 186 A S H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 114.5 49.2 -63.6 -39.5 9.7 -3.8 -0.8 143 187 A V H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.869 108.8 54.5 -68.9 -38.8 9.5 -4.5 -4.5 144 188 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.945 111.0 43.9 -54.7 -54.1 6.0 -5.9 -4.1 145 189 A W H X S+ 0 0 49 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.881 113.5 51.1 -67.7 -34.3 4.7 -2.8 -2.4 146 190 A K H X S+ 0 0 48 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.961 114.3 43.4 -64.9 -46.9 6.4 -0.5 -4.8 147 191 A T H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.937 120.0 40.1 -67.1 -45.7 5.0 -2.3 -7.8 148 192 A V H X S+ 0 0 7 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.872 115.3 53.1 -70.5 -38.1 1.5 -2.7 -6.5 149 193 A S H X S+ 0 0 4 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.832 105.9 53.3 -59.9 -44.4 1.5 0.8 -4.9 150 194 A R H X S+ 0 0 78 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.927 109.7 47.3 -61.3 -45.4 2.4 2.5 -8.2 151 195 A R H X S+ 0 0 100 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.891 112.6 50.0 -64.1 -39.8 -0.4 0.8 -10.1 152 196 A F H >X S+ 0 0 13 -4,-1.8 3,-0.7 2,-0.2 4,-0.6 0.942 112.0 46.7 -65.5 -46.2 -2.9 1.8 -7.3 153 197 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 34,-0.4 0.889 109.1 56.3 -61.9 -37.1 -1.8 5.4 -7.3 154 198 A E H 3< S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 104.2 54.4 -66.2 -24.2 -1.9 5.4 -11.2 155 199 A A H << S+ 0 0 42 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.621 86.1 106.3 -87.8 -14.1 -5.6 4.4 -11.1 156 200 A A << + 0 0 0 -3,-1.0 31,-0.4 -4,-0.6 2,-0.3 -0.304 43.3 170.6 -70.4 148.2 -6.7 7.2 -8.8 157 201 A c + 0 0 9 -82,-2.4 34,-0.3 2,-0.2 -79,-0.3 -0.904 43.7 10.4-144.6 172.9 -8.7 10.1 -10.1 158 202 A D E S+ d 0 191C 83 32,-2.7 34,-2.0 -2,-0.3 35,-1.9 -0.334 121.5 3.4 62.3-124.2 -10.7 13.2 -8.9 159 203 A V E S- d 0 193C 45 -83,-0.3 2,-0.4 33,-0.2 -81,-0.3 -0.874 70.9-168.8 -98.2 122.4 -10.1 13.8 -5.2 160 204 A V E - 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