==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-FEB-03 1NX1 . COMPND 2 MOLECULE: CALCIUM-DEPENDENT PROTEASE, SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.TODD,D.MOORE,C.C.S.DEIVANAYAGAM,G.-D.LIN,D.CHATTOPADHYAY,M . 368 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 73.9 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 . 13 3.5 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 . 4 1.1 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 . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 3 1 2 0 4 2 2 0 0 0 0 0 0 0 4 0 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 . 4 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 94 A E > 0 0 132 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 134.4 3.9 68.6 62.6 2 95 A E H > + 0 0 153 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.736 360.0 62.9 -73.9 -22.1 5.5 65.4 63.7 3 96 A V H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 100.3 49.7 -69.4 -36.1 5.2 64.5 60.0 4 97 A R H > S+ 0 0 147 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.869 111.9 49.8 -69.7 -34.6 7.4 67.4 59.0 5 98 A Q H X S+ 0 0 102 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.893 108.3 51.4 -69.0 -40.5 9.9 66.1 61.6 6 99 A F H X S+ 0 0 22 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.859 105.2 58.6 -65.9 -32.2 9.6 62.6 60.2 7 100 A R H X S+ 0 0 127 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.934 106.3 46.9 -62.0 -43.3 10.4 64.1 56.8 8 101 A R H X S+ 0 0 166 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.915 113.9 47.5 -63.1 -43.7 13.6 65.4 58.2 9 102 A L H >X S+ 0 0 24 -4,-2.2 3,-1.2 1,-0.2 4,-1.0 0.935 109.7 53.8 -61.9 -47.9 14.5 62.1 59.8 10 103 A F H >X S+ 0 0 8 -4,-3.3 4,-2.7 1,-0.3 3,-0.6 0.857 98.5 62.7 -58.0 -37.5 13.6 60.2 56.6 11 104 A A H 3< S+ 0 0 45 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.784 106.1 46.2 -60.4 -26.8 15.9 62.4 54.5 12 105 A Q H << S+ 0 0 144 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.695 116.8 45.3 -84.1 -21.2 18.9 61.0 56.5 13 106 A L H << S+ 0 0 19 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.806 94.4 87.9 -91.4 -34.8 17.6 57.5 56.2 14 107 A A S < S- 0 0 16 -4,-2.7 6,-0.2 -5,-0.2 4,-0.1 -0.226 76.1-112.9 -70.1 157.2 16.8 57.2 52.6 15 108 A G > - 0 0 13 4,-2.3 3,-2.3 2,-0.1 -1,-0.1 0.034 52.0 -70.4 -74.7-172.9 19.1 56.2 49.8 16 109 A D T 3 S+ 0 0 179 1,-0.3 -2,-0.1 2,-0.1 4,-0.1 0.875 134.7 50.7 -46.1 -45.2 20.4 58.5 47.0 17 110 A D T 3 S- 0 0 77 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.138 116.3-111.1 -85.1 18.9 17.0 58.5 45.3 18 111 A M S < S+ 0 0 89 -3,-2.3 48,-0.3 1,-0.2 2,-0.3 0.818 88.0 102.4 53.7 31.9 15.1 59.5 48.5 19 112 A E S S- 0 0 39 46,-0.1 -4,-2.3 -6,-0.1 2,-0.6 -0.933 73.3-120.4-133.4 155.7 13.5 56.0 48.8 20 113 A V B -A 64 0A 0 44,-2.9 44,-2.6 -2,-0.3 -6,-0.1 -0.899 25.7-153.4-103.5 115.8 14.5 53.2 51.1 21 114 A S > - 0 0 21 -2,-0.6 4,-2.4 42,-0.2 5,-0.2 -0.225 35.1 -99.2 -74.3 174.0 15.5 49.9 49.3 22 115 A A H > S+ 0 0 13 40,-0.3 4,-2.3 1,-0.2 5,-0.1 0.877 126.5 50.6 -61.4 -34.7 15.2 46.4 51.0 23 116 A T H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 110.3 45.5 -71.6 -41.2 18.9 46.7 51.8 24 117 A E H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.842 113.6 53.1 -67.8 -35.3 18.7 50.1 53.4 25 118 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.937 106.5 51.9 -63.5 -48.3 15.6 48.9 55.3 26 119 A M H X S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 18,-0.3 0.921 112.7 45.1 -54.5 -47.4 17.5 45.9 56.6 27 120 A N H X S+ 0 0 78 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.907 111.7 50.9 -70.0 -37.7 20.3 48.0 57.9 28 121 A I H X S+ 0 0 11 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.961 114.0 45.2 -60.8 -48.5 18.1 50.6 59.5 29 122 A L H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.885 113.3 48.5 -64.2 -40.4 16.0 47.9 61.3 30 123 A N H X S+ 0 0 37 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.861 108.5 54.3 -71.4 -30.7 19.0 46.0 62.5 31 124 A K H X S+ 0 0 122 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.898 112.7 45.0 -68.7 -34.9 20.7 49.2 63.7 32 125 A V H >< S+ 0 0 1 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.922 113.3 47.7 -75.5 -41.7 17.6 49.8 65.8 33 126 A V H >< S+ 0 0 9 -4,-2.9 3,-2.4 1,-0.2 6,-0.3 0.883 102.9 61.5 -70.1 -30.6 17.2 46.3 67.1 34 127 A T H 3< S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 100.5 57.0 -59.9 -30.3 20.8 46.0 68.2 35 128 A R T << S+ 0 0 112 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.412 106.1 52.2 -80.7 4.9 20.0 49.0 70.5 36 129 A H X + 0 0 24 -3,-2.4 3,-2.7 3,-0.1 -1,-0.2 -0.492 62.0 165.4-135.0 65.6 17.2 46.9 72.1 37 130 A P T 3 + 0 0 113 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.618 69.1 77.5 -57.3 -15.5 18.9 43.6 73.1 38 131 A D T 3 S+ 0 0 64 -3,-0.1 2,-0.7 -5,-0.1 -5,-0.0 0.626 83.1 78.7 -67.7 -12.8 15.9 42.8 75.3 39 132 A L S < S- 0 0 6 -3,-2.7 2,-0.3 -6,-0.3 54,-0.1 -0.888 84.6-140.4 -98.8 113.9 14.3 41.9 71.9 40 133 A K + 0 0 108 52,-2.5 91,-2.9 -2,-0.7 92,-0.3 -0.564 41.2 135.5 -77.8 132.4 15.5 38.5 70.9 41 134 A T - 0 0 34 -2,-0.3 3,-0.1 89,-0.2 -2,-0.0 -0.892 59.2-135.7-173.4 146.7 16.3 38.1 67.2 42 135 A D S S- 0 0 107 1,-0.3 2,-0.1 -2,-0.3 -1,-0.0 0.438 74.7 -98.3 -82.6 -0.9 18.8 36.8 64.7 43 136 A G - 0 0 14 2,-0.1 2,-0.6 -14,-0.0 -1,-0.3 -0.221 48.3 -60.0 101.6 162.6 18.3 40.1 62.9 44 137 A F - 0 0 4 -18,-0.3 -14,-0.1 -3,-0.1 2,-0.1 -0.762 58.7-138.7 -83.3 119.1 16.1 41.1 59.9 45 138 A G > - 0 0 25 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.334 15.3-118.5 -75.5 158.2 17.2 39.0 56.9 46 139 A I H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 114.2 53.6 -65.3 -42.6 17.5 40.4 53.4 47 140 A D H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 110.1 46.5 -57.4 -47.6 14.9 38.0 52.1 48 141 A T H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 112.0 52.0 -62.6 -38.1 12.4 39.1 54.7 49 142 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 108.4 50.5 -65.6 -37.0 13.2 42.8 54.0 50 143 A R H X S+ 0 0 43 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.913 112.1 48.7 -67.6 -35.7 12.7 42.4 50.3 51 144 A S H X S+ 0 0 22 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.919 111.3 48.5 -68.3 -43.1 9.3 40.8 51.2 52 145 A M H X S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.908 112.4 49.0 -65.3 -40.1 8.4 43.6 53.5 53 146 A V H X S+ 0 0 5 -4,-2.6 4,-1.1 2,-0.2 3,-0.4 0.962 111.0 49.5 -61.6 -49.5 9.3 46.2 50.9 54 147 A A H >< S+ 0 0 6 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.931 111.5 48.9 -53.8 -49.3 7.3 44.5 48.1 55 148 A V H 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.781 116.3 42.4 -63.9 -30.4 4.2 44.2 50.3 56 149 A M H 3< S+ 0 0 7 -4,-1.5 2,-1.8 -3,-0.4 -1,-0.3 0.535 88.2 100.0 -92.7 -7.1 4.5 47.9 51.3 57 150 A D X< + 0 0 5 -4,-1.1 3,-1.7 -3,-0.9 -1,-0.1 -0.450 40.0 160.5 -84.5 70.1 5.3 49.1 47.7 58 151 A S T 3 S+ 0 0 100 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.704 76.0 44.5 -57.7 -34.0 1.8 50.3 46.7 59 152 A D T 3 S- 0 0 84 -3,-0.2 -1,-0.3 6,-0.0 -2,-0.1 0.091 107.5-127.9-101.6 18.0 3.0 52.5 43.8 60 153 A T < + 0 0 57 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.799 62.1 139.3 35.2 58.1 5.4 49.7 42.6 61 154 A T S S- 0 0 56 2,-0.4 -1,-0.1 4,-0.0 3,-0.1 0.506 71.0-116.2 -98.6 -7.4 8.6 51.8 42.5 62 155 A G S S+ 0 0 11 1,-0.3 -40,-0.3 -5,-0.1 2,-0.3 0.315 89.2 57.8 91.6 -9.9 10.6 48.9 44.0 63 156 A K S S- 0 0 59 -42,-0.1 2,-0.6 -10,-0.1 -2,-0.4 -0.861 93.2 -87.6-141.3 174.0 11.5 50.8 47.2 64 157 A L B -A 20 0A 0 -44,-2.6 -44,-2.9 -2,-0.3 -7,-0.1 -0.820 37.1-156.7 -94.9 118.4 9.7 52.6 50.0 65 158 A G > - 0 0 10 -2,-0.6 4,-3.0 -46,-0.2 5,-0.3 -0.234 40.8 -84.7 -78.1 179.1 8.9 56.2 49.5 66 159 A F H > S+ 0 0 27 -48,-0.3 4,-2.7 1,-0.2 5,-0.2 0.919 128.1 44.9 -51.5 -55.2 8.3 58.6 52.4 67 160 A E H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 115.5 48.2 -61.6 -37.3 4.6 57.8 53.0 68 161 A E H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 112.9 47.3 -68.6 -44.6 5.2 54.0 52.8 69 162 A F H X S+ 0 0 1 -4,-3.0 4,-3.3 2,-0.2 -2,-0.2 0.925 113.4 48.3 -64.9 -41.7 8.2 54.1 55.1 70 163 A K H X S+ 0 0 33 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.883 112.2 49.2 -64.9 -39.8 6.3 56.2 57.6 71 164 A Y H X S+ 0 0 88 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.938 113.7 45.7 -61.9 -50.0 3.3 53.9 57.4 72 165 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 114.3 49.0 -57.5 -48.0 5.5 50.9 57.9 73 166 A W H X S+ 0 0 1 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.888 106.0 55.1 -62.9 -42.7 7.4 52.5 60.8 74 167 A N H X S+ 0 0 66 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.916 112.2 45.8 -57.1 -41.6 4.2 53.6 62.6 75 168 A N H X S+ 0 0 15 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.935 111.3 51.7 -67.6 -44.7 3.1 50.0 62.6 76 169 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.944 111.3 45.7 -60.0 -46.5 6.5 48.7 63.7 77 170 A K H X S+ 0 0 70 -4,-2.8 4,-1.5 1,-0.2 282,-0.2 0.876 114.1 49.8 -66.1 -33.5 6.8 51.0 66.7 78 171 A K H X S+ 0 0 117 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.911 114.8 43.4 -69.3 -40.9 3.2 50.2 67.7 79 172 A W H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.833 107.4 59.2 -75.1 -31.2 3.8 46.4 67.4 80 173 A Q H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.903 104.0 52.2 -64.1 -37.3 7.1 46.6 69.2 81 174 A A H X S+ 0 0 35 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.924 110.0 49.1 -64.1 -38.0 5.2 48.1 72.2 82 175 A I H X S+ 0 0 14 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.927 106.2 56.4 -65.9 -40.7 2.8 45.1 72.0 83 176 A Y H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.905 109.3 45.4 -57.7 -43.0 5.7 42.7 71.9 84 177 A K H >< S+ 0 0 44 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.922 110.6 55.7 -68.0 -38.7 7.2 44.2 75.2 85 178 A Q H 3< S+ 0 0 130 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.3 38.4 -60.0 -43.0 3.6 44.0 76.7 86 179 A F H 3< S+ 0 0 38 -4,-2.6 2,-1.7 1,-0.2 9,-0.4 0.457 88.0 89.2 -94.1 1.3 3.3 40.3 76.0 87 180 A D X< + 0 0 2 -4,-0.8 3,-1.4 -3,-0.7 -1,-0.2 -0.649 59.0 167.6 -88.3 75.2 6.9 39.2 76.7 88 181 A V T 3 + 0 0 87 -2,-1.7 -1,-0.2 1,-0.3 6,-0.1 0.688 68.4 43.3 -71.8 -20.9 5.6 38.7 80.3 89 182 A D T 3 S- 0 0 97 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.175 108.8-119.7-104.9 11.7 8.5 36.7 81.7 90 183 A R < + 0 0 184 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.885 65.9 143.1 49.4 42.5 11.1 39.0 80.0 91 184 A S - 0 0 59 2,-0.4 -1,-0.1 -51,-0.0 3,-0.1 0.485 69.1-113.9 -86.6 -4.5 12.5 36.1 78.0 92 185 A G S S+ 0 0 8 1,-0.2 -52,-2.5 -5,-0.1 39,-0.4 0.266 91.9 68.4 89.6 -12.7 13.1 38.2 74.9 93 186 A T S S- 0 0 12 -54,-0.1 2,-0.7 37,-0.1 -2,-0.4 -0.913 91.4-101.7-133.6 157.6 10.5 36.3 72.8 94 187 A I B -B 129 0B 0 35,-3.0 35,-2.6 -2,-0.3 -7,-0.2 -0.743 46.7-128.8 -84.4 119.4 6.7 36.1 72.9 95 188 A G >> - 0 0 7 -2,-0.7 4,-1.6 -9,-0.4 3,-0.8 -0.233 17.1-108.2 -67.7 157.0 5.9 32.8 74.5 96 189 A S T 34 S+ 0 0 63 1,-0.3 3,-0.4 30,-0.2 -1,-0.1 0.879 119.4 49.0 -49.6 -45.2 3.5 30.3 73.1 97 190 A S T 34 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.813 113.5 47.0 -71.5 -25.6 0.8 30.9 75.7 98 191 A E T <> S+ 0 0 41 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.665 89.7 84.1 -87.8 -17.6 1.0 34.8 75.2 99 192 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 5,-0.2 0.832 83.7 56.6 -57.6 -41.0 0.9 34.8 71.3 100 193 A P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.970 111.9 44.6 -56.2 -47.8 -2.9 34.7 70.9 101 194 A G H > S+ 0 0 24 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.823 109.0 56.5 -65.6 -32.7 -3.2 37.8 73.1 102 195 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.897 107.4 48.0 -68.3 -41.1 -0.3 39.6 71.3 103 196 A F H <>S+ 0 0 3 -4,-2.3 5,-2.9 2,-0.2 -2,-0.2 0.936 112.9 47.7 -65.2 -43.2 -2.0 39.2 67.9 104 197 A E H ><5S+ 0 0 108 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.917 108.5 54.6 -63.5 -41.2 -5.4 40.5 69.3 105 198 A A H 3<5S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.5 54.3 -62.7 -26.5 -3.6 43.4 71.0 106 199 A A T 3<5S- 0 0 15 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.481 130.9 -99.4 -82.4 -3.1 -2.2 44.2 67.5 107 200 A G T < 5S+ 0 0 48 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.571 83.7 125.6 98.7 10.3 -5.8 44.2 66.2 108 201 A F < - 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0 0 4 -2,-0.8 4,-1.7 -9,-0.3 3,-1.7 -0.243 24.2-108.1 -60.9 154.5 22.9 37.9 34.1 270 489 B S T 34 S+ 0 0 51 1,-0.3 -1,-0.1 30,-0.3 32,-0.1 0.765 119.7 60.5 -54.3 -29.4 19.8 40.1 33.4 271 490 B S T 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.770 110.6 38.5 -72.0 -26.2 20.3 39.3 29.7 272 491 B E T X> S+ 0 0 16 -3,-1.7 4,-2.7 1,-0.1 3,-0.7 0.717 93.9 82.8 -98.3 -20.8 19.9 35.5 30.2 273 492 B L H 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.3 5,-0.3 0.813 86.4 57.0 -54.5 -37.5 17.1 35.4 32.9 274 493 B P H 3> S+ 0 0 60 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.930 112.4 42.7 -64.2 -34.4 14.3 35.8 30.4 275 494 B G H <> S+ 0 0 23 -3,-0.7 4,-3.5 -4,-0.2 3,-0.3 0.963 110.2 56.6 -70.1 -50.4 15.6 32.7 28.6 276 495 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 6,-0.2 0.913 108.6 46.2 -43.4 -56.7 16.2 30.9 31.9 277 496 B F H <>S+ 0 0 2 -4,-2.6 5,-3.4 1,-0.2 -1,-0.3 0.852 113.3 51.7 -57.6 -35.8 12.5 31.3 32.9 278 497 B E H ><5S+ 0 0 108 -4,-1.4 3,-2.3 -3,-0.3 -2,-0.2 0.944 106.2 52.3 -66.7 -48.1 11.6 30.2 29.4 279 498 B A H 3<5S+ 0 0 45 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.835 106.5 54.7 -56.2 -36.0 13.7 27.1 29.7 280 499 B A T 3<5S- 0 0 8 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.375 127.3-103.2 -79.5 2.7 12.0 26.3 33.0 281 500 B G T < 5S+ 0 0 52 -3,-2.3 2,-0.7 1,-0.2 -3,-0.2 0.649 76.8 137.8 88.1 14.9 8.7 26.5 31.1 282 501 B F < - 0 0 18 -5,-3.4 2,-0.8 -6,-0.2 -1,-0.2 -0.849 26.9-179.9-104.3 112.5 7.6 29.9 32.3 283 502 B H + 0 0 160 -2,-0.7 2,-0.4 -3,-0.1 -5,-0.0 -0.849 23.1 176.0-105.9 96.2 6.1 32.3 29.8 284 503 B L - 0 0 35 -2,-0.8 5,-0.1 1,-0.1 -2,-0.0 -0.871 33.1 -98.1-123.2 143.6 5.3 35.5 31.7 285 504 B N > - 0 0 84 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 0.168 34.8-118.0 -34.9 148.7 4.0 38.9 31.1 286 505 B E H > S+ 0 0 174 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.860 114.0 48.0 -65.1 -35.7 6.5 41.8 30.8 287 506 B H H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 112.9 45.0 -71.4 -48.3 5.0 43.6 33.8 288 507 B L H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.839 110.7 58.2 -63.8 -33.2 5.0 40.5 36.1 289 508 B Y H X S+ 0 0 44 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.918 106.0 46.7 -64.4 -43.4 8.4 39.7 34.9 290 509 B S H X S+ 0 0 46 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.891 109.9 52.4 -67.9 -39.9 9.7 43.1 36.1 291 510 B M H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.932 110.7 48.9 -61.4 -39.7 8.1 42.8 39.5 292 511 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.919 110.7 50.3 -65.2 -42.0 9.7 39.3 40.0 293 512 B I H X S+ 0 0 28 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.923 111.4 49.0 -61.5 -43.5 13.1 40.8 38.9 294 513 B R H < S+ 0 0 115 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 114.9 44.4 -63.1 -41.8 12.6 43.6 41.4 295 514 B R H < S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.793 130.6 20.0 -74.7 -29.0 11.7 41.1 44.2 296 515 B Y H < S+ 0 0 9 -4,-2.5 8,-0.3 -5,-0.2 -3,-0.2 0.721 102.7 79.5-117.3 -26.3 14.5 38.6 43.5 297 516 B S S < S- 0 0 8 -4,-2.7 6,-0.2 -5,-0.4 2,-0.1 -0.153 72.4-113.0 -77.2 177.6 17.4 40.1 41.4 298 517 B D > - 0 0 55 4,-2.5 3,-1.3 1,-0.0 -1,-0.1 -0.206 48.7 -79.7 -94.1-169.6 20.3 42.2 42.6 299 518 B E T 3 S+ 0 0 176 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.893 133.4 56.9 -60.0 -39.2 20.9 45.9 41.7 300 519 B G T 3 S- 0 0 46 1,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.591 116.3-116.2 -68.3 -11.6 22.4 44.7 38.4 301 520 B G S < S+ 0 0 13 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.600 77.4 127.8 84.1 8.8 19.1 42.8 37.6 302 521 B N - 0 0 45 -33,-0.1 -4,-2.5 -32,-0.1 2,-0.4 -0.523 50.7-138.1 -91.4 165.5 21.1 39.6 37.8 303 522 B M B -E 268 0E 0 -35,-2.0 -35,-2.3 -6,-0.2 -6,-0.1 -0.974 6.3-148.4-135.3 129.9 20.1 36.7 40.0 304 523 B D > - 0 0 27 -2,-0.4 4,-2.6 -8,-0.3 -89,-0.2 -0.238 35.2 -92.6 -85.5-179.6 22.0 34.3 42.2 305 524 B F H > S+ 0 0 1 -91,-2.6 4,-3.4 -39,-0.4 5,-0.3 0.926 117.6 41.5 -60.1 -60.0 21.3 30.7 43.1 306 525 B D H > S+ 0 0 0 1,-0.2 4,-3.2 -92,-0.2 5,-0.3 0.902 119.4 50.4 -59.4 -36.3 19.1 30.6 46.2 307 526 B N H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 112.0 45.2 -67.5 -44.9 17.2 33.5 44.8 308 527 B F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.957 117.9 44.7 -62.4 -48.4 16.7 31.8 41.4 309 528 B I H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.950 114.6 46.1 -62.4 -49.4 15.7 28.6 43.1 310 529 B S H X S+ 0 0 8 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.2 0.890 111.4 53.1 -65.5 -34.8 13.4 30.1 45.7 311 530 B C H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.955 112.0 45.9 -61.7 -47.6 11.7 32.3 43.1 312 531 B L H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.862 107.0 56.3 -64.9 -41.0 11.0 29.3 40.9 313 532 B V H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 113.9 42.1 -57.6 -39.6 9.7 27.1 43.8 314 533 B R H X S+ 0 0 15 -4,-1.6 4,-3.6 -5,-0.2 5,-0.2 0.931 114.5 48.0 -73.7 -47.3 7.1 29.9 44.5 315 534 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.970 114.8 47.9 -58.4 -51.8 6.2 30.6 40.9 316 535 B D H X S+ 0 0 26 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.939 114.6 46.4 -54.0 -48.4 5.8 26.9 40.4 317 536 B A H X S+ 0 0 4 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.867 109.9 52.1 -65.2 -36.0 3.7 26.6 43.5 318 537 B M H X S+ 0 0 11 -4,-3.6 4,-2.4 2,-0.2 -1,-0.2 0.862 109.9 49.0 -70.5 -31.5 1.5 29.6 42.8 319 538 B F H X S+ 0 0 41 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.959 114.3 45.3 -67.2 -49.6 0.6 28.3 39.3 320 539 B R H X S+ 0 0 80 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.926 112.4 52.5 -59.3 -44.0 -0.2 24.9 40.7 321 540 B A H X S+ 0 0 24 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.933 110.3 47.4 -57.0 -49.6 -2.2 26.5 43.5 322 541 B F H X S+ 0 0 8 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.950 113.7 46.9 -58.5 -50.3 -4.2 28.6 41.0 323 542 B K H < S+ 0 0 144 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.913 111.4 52.4 -58.8 -40.4 -4.9 25.5 38.8 324 543 B S H < S+ 0 0 68 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.893 111.7 45.8 -64.1 -38.0 -5.9 23.5 41.9 325 544 B L H < S+ 0 0 71 -4,-2.4 2,-1.7 -5,-0.2 3,-0.2 0.736 95.6 77.7 -78.3 -21.0 -8.3 26.2 43.0 326 545 B D >< + 0 0 23 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 -0.580 56.2 161.3 -91.1 76.7 -9.9 26.7 39.5 327 546 B K T 3 S+ 0 0 167 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.945 72.6 47.6 -64.6 -52.2 -12.0 23.6 39.7 328 547 B D T 3 S- 0 0 126 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.504 108.4-127.0 -70.2 0.0 -14.5 24.5 36.9 329 548 B G < + 0 0 56 -3,-0.8 -2,-0.1 -6,-0.2 -1,-0.1 0.784 64.1 137.9 62.4 30.8 -11.4 25.5 34.8 330 549 B T S S- 0 0 82 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.490 71.2-114.7 -87.0 -2.1 -12.7 29.0 34.0 331 550 B G S S+ 0 0 34 1,-0.2 -168,-0.7 -5,-0.1 2,-0.3 0.665 90.9 86.4 78.2 11.8 -9.3 30.8 34.4 332 551 B Q E -C 162 0C 83 -170,-0.2 -2,-0.3 -169,-0.1 2,-0.3 -0.993 58.0-163.6-142.4 142.6 -10.7 32.7 37.4 333 552 B I E -C 161 0C 7 -172,-2.3 -172,-2.2 -2,-0.3 2,-0.4 -0.894 7.2-147.6-126.0 159.8 -10.9 31.7 41.1 334 553 B Q E +C 160 0C 115 -2,-0.3 2,-0.3 -9,-0.2 -174,-0.2 -0.991 18.4 174.3-129.3 132.7 -12.9 33.1 44.0 335 554 B V E -C 159 0C 3 -176,-1.9 -176,-1.9 -2,-0.4 2,-0.1 -0.993 22.0-138.2-140.4 147.8 -11.8 33.2 47.7 336 555 B N > - 0 0 47 -2,-0.3 4,-2.5 -178,-0.2 5,-0.2 -0.388 44.6 -90.6 -92.0 175.8 -13.1 34.7 50.9 337 556 B I H > S+ 0 0 51 -180,-0.5 4,-2.6 1,-0.2 5,-0.3 0.895 126.0 53.1 -57.9 -40.4 -10.9 36.5 53.5 338 557 B Q H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.7 44.1 -63.0 -41.8 -10.1 33.3 55.4 339 558 B E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 113.5 52.7 -67.4 -43.4 -8.9 31.4 52.2 340 559 B W H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.912 110.5 45.4 -58.7 -46.5 -6.9 34.5 51.1 341 560 B L H X>S+ 0 0 3 -4,-2.6 4,-3.1 2,-0.2 5,-0.5 0.917 113.5 50.8 -67.6 -38.8 -5.1 34.9 54.4 342 561 B Q H X5S+ 0 0 58 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.951 112.6 45.2 -61.6 -48.7 -4.4 31.1 54.5 343 562 B L H <5S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 123.2 35.6 -63.3 -37.3 -3.0 31.1 51.0 344 563 B T H <5S+ 0 0 3 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.804 119.9 44.2 -90.6 -32.9 -0.9 34.2 51.5 345 564 B M H <5S+ 0 0 0 -4,-3.1 2,-1.5 -5,-0.3 -3,-0.2 0.849 107.5 59.0 -81.4 -34.4 0.3 33.9 55.1 346 565 B Y << 0 0 19 -4,-1.9 -1,-0.2 -5,-0.5 -228,-0.1 -0.462 360.0 360.0 -90.7 67.5 1.1 30.2 54.9 347 566 B S 0 0 4 -2,-1.5 -1,-0.2 -3,-0.3 -122,-0.1 0.120 360.0 360.0-155.1 360.0 3.7 30.8 52.1 348 !* 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 0.0 349 601 C D > 0 0 154 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -55.4 21.0 60.4 64.9 350 602 C A H > + 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.856 360.0 51.6 -74.2 -32.5 18.0 59.5 62.8 351 603 C I H > S+ 0 0 28 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.895 105.5 53.9 -67.5 -35.7 18.7 56.1 64.3 352 604 C D H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 110.6 47.4 -57.5 -50.1 18.7 57.7 67.8 353 605 C A H X S+ 0 0 39 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.940 114.2 45.1 -58.6 -52.4 15.2 59.2 67.0 354 606 C L H >X S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.6 0.920 111.7 53.6 -62.5 -41.5 13.8 55.8 65.6 355 607 C S H >< S+ 0 0 11 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.903 101.4 58.7 -60.1 -37.5 15.3 54.0 68.5 356 608 C S H 3< S+ 0 0 93 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.686 96.1 64.5 -64.9 -18.6 13.5 56.4 71.0 357 609 C D H << S+ 0 0 57 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.682 86.8 88.2 -75.8 -18.8 10.1 55.3 69.4 358 610 C F << 0 0 13 -3,-1.6 -281,-0.1 -4,-0.6 -280,-0.1 -0.511 360.0 360.0 -76.5 150.2 10.7 51.8 70.7 359 611 C T 0 0 101 -282,-0.2 -2,-0.1 -2,-0.1 -1,-0.1 -0.770 360.0 360.0 -89.2 360.0 9.5 51.1 74.2 360 !* 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 0.0 361 701 D D > 0 0 149 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -58.3 26.7 10.9 52.4 362 702 D A H > + 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.836 360.0 58.0 -68.4 -29.2 23.0 11.4 51.4 363 703 D I H > S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.949 100.3 53.7 -61.8 -49.7 24.4 14.9 50.9 364 704 D D H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 108.3 50.4 -50.8 -47.3 26.9 13.4 48.4 365 705 D A H >X S+ 0 0 34 -4,-1.8 4,-0.7 2,-0.2 3,-0.6 0.974 112.6 44.4 -59.1 -52.3 24.1 11.8 46.5 366 706 D L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 4,-0.5 0.911 110.9 55.6 -56.9 -44.4 22.0 15.0 46.2 367 707 D S H >< S+ 0 0 17 -4,-3.3 3,-1.3 1,-0.3 -1,-0.3 0.854 101.4 58.4 -56.7 -33.7 25.1 16.9 45.3 368 708 D S H << S+ 0 0 94 -4,-2.0 -1,-0.3 -3,-0.6 -2,-0.2 0.683 92.8 67.7 -73.4 -15.2 25.7 14.5 42.4 369 709 D D T << S+ 0 0 55 -3,-1.5 2,-0.5 -4,-0.7 -1,-0.3 0.673 80.7 96.8 -73.7 -17.2 22.3 15.4 41.0 370 710 D F < 0 0 15 -3,-1.3 -119,-0.1 -4,-0.5 -118,-0.1 -0.644 360.0 360.0 -78.3 122.3 23.6 18.8 40.2 371 711 D T 0 0 108 -2,-0.5 -1,-0.2 -120,-0.3 -116,-0.1 0.993 360.0 360.0 -64.7 360.0 24.8 19.2 36.7