==== 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 CALCIUM BINDING 03-JUN-97 1ALV . COMPND 2 MOLECULE: CALPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.V.L.NARAYANA,G.LIN,D.CHATTOPADHYAY,M.MAKI . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 73.7 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 . 14 4.0 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 . 1 0.3 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 1 2 0 4 1 3 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 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 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 0 169 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -32.7 14.8 -48.1 18.3 2 95 A E H 3> + 0 0 163 1,-0.2 4,-0.6 2,-0.2 0, 0.0 0.616 360.0 53.4 -77.5 -9.1 14.3 -47.8 22.1 3 96 A V H 3> S+ 0 0 74 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.548 102.0 56.8 -98.0 -13.5 12.5 -44.5 21.4 4 97 A R H <> S+ 0 0 146 -3,-0.6 4,-1.1 2,-0.2 -2,-0.2 0.744 108.1 49.5 -84.7 -28.9 10.2 -46.1 18.8 5 98 A Q H X S+ 0 0 89 -4,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.820 112.2 47.2 -75.0 -37.6 9.1 -48.5 21.7 6 99 A F H X S+ 0 0 21 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.797 107.1 55.1 -74.5 -35.4 8.6 -45.6 24.1 7 100 A R H X S+ 0 0 142 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.905 109.3 48.9 -65.4 -39.6 6.5 -43.5 21.6 8 101 A R H X S+ 0 0 108 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.853 111.6 50.8 -65.9 -37.0 4.3 -46.5 21.3 9 102 A L H X S+ 0 0 45 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.928 112.0 44.4 -66.6 -48.0 4.1 -46.8 25.1 10 103 A F H X S+ 0 0 18 -4,-2.7 4,-3.7 2,-0.2 5,-0.2 0.886 111.9 53.0 -65.2 -42.5 3.2 -43.1 25.6 11 104 A A H X S+ 0 0 62 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.924 113.1 42.4 -59.6 -47.3 0.6 -43.1 22.8 12 105 A Q H < S+ 0 0 161 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.713 120.6 45.0 -72.4 -22.6 -1.3 -46.1 24.1 13 106 A L H < S+ 0 0 23 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.885 112.3 48.7 -85.4 -45.9 -1.0 -44.8 27.6 14 107 A A H ><>S+ 0 0 1 -4,-3.7 5,-0.8 -5,-0.2 3,-0.7 0.784 87.2 177.1 -67.0 -33.5 -1.9 -41.1 26.9 15 108 A G G ><5 - 0 0 36 -4,-1.6 3,-2.5 -5,-0.2 -1,-0.1 -0.086 51.1 -8.2 64.1-157.5 -5.1 -41.9 24.9 16 109 A D G 3 5S+ 0 0 177 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.669 136.1 45.0 -44.1 -39.7 -7.6 -39.5 23.4 17 110 A D G < 5S- 0 0 73 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.452 101.1-129.7 -92.2 -0.2 -6.2 -36.4 25.0 18 111 A M T < 5S+ 0 0 145 -3,-2.5 2,-0.3 -7,-0.2 48,-0.2 0.644 76.8 95.2 63.0 17.2 -2.5 -37.2 24.2 19 112 A E S - 0 0 18 -2,-0.6 4,-2.7 42,-0.2 5,-0.2 -0.425 34.8 -99.3 -90.9 172.1 -3.3 -38.1 33.8 22 115 A A H > S+ 0 0 14 40,-0.3 4,-2.3 1,-0.2 5,-0.1 0.878 125.9 51.5 -59.9 -33.9 -2.7 -39.1 37.4 23 116 A T H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 109.8 47.6 -68.3 -44.9 -5.2 -41.9 36.8 24 117 A E H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.887 112.3 50.8 -63.1 -37.9 -3.5 -43.2 33.7 25 118 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.911 107.2 54.2 -66.7 -42.2 -0.1 -43.0 35.6 26 119 A M H X S+ 0 0 41 -4,-2.3 4,-2.3 -5,-0.2 18,-0.2 0.924 107.9 49.7 -59.3 -44.1 -1.6 -45.0 38.5 27 120 A N H X S+ 0 0 87 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.940 112.3 45.2 -62.9 -48.1 -2.7 -47.8 36.3 28 121 A I H X S+ 0 0 30 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.887 113.8 50.5 -64.3 -36.9 0.6 -48.2 34.5 29 122 A L H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.871 110.2 48.7 -70.6 -35.6 2.6 -48.0 37.7 30 123 A N H X S+ 0 0 47 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.760 108.6 53.9 -77.7 -21.2 0.5 -50.6 39.4 31 124 A K H X S+ 0 0 144 -4,-1.4 4,-1.2 -5,-0.2 3,-0.3 0.903 108.7 50.6 -74.8 -41.1 0.7 -53.0 36.5 32 125 A V H < S+ 0 0 38 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.914 106.5 51.1 -62.1 -49.0 4.5 -52.8 36.6 33 126 A V H >< S+ 0 0 17 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.734 104.9 60.2 -64.9 -19.3 4.9 -53.5 40.3 34 127 A T H 3< S+ 0 0 109 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 0.896 101.4 51.9 -74.3 -37.6 2.8 -56.6 39.9 35 128 A R T 3< S+ 0 0 213 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.1 -0.137 100.8 75.1 -92.6 39.3 5.2 -58.1 37.4 36 129 A H < - 0 0 60 -3,-0.8 3,-0.4 -2,-0.3 4,-0.2 -0.736 67.2-165.5-154.3 96.3 8.0 -57.5 39.9 37 130 A P S > S+ 0 0 129 0, 0.0 2,-1.4 0, 0.0 3,-0.7 0.926 75.6 33.3 -53.6 -77.8 8.0 -60.0 42.9 38 131 A D T 3 S+ 0 0 90 1,-0.2 54,-0.2 2,-0.1 55,-0.0 -0.622 86.4 97.3 -92.9 80.3 10.2 -58.8 45.7 39 132 A L T 3 S- 0 0 4 -2,-1.4 92,-0.7 -3,-0.4 -1,-0.2 0.441 70.6-151.7-131.0 -20.0 9.7 -55.0 45.4 40 133 A K < + 0 0 127 -3,-0.7 91,-2.6 -4,-0.2 2,-0.3 0.875 28.1 152.3 40.9 118.8 7.0 -54.7 48.2 41 134 A T - 0 0 38 89,-0.2 -1,-0.1 90,-0.2 3,-0.1 -0.960 51.5-133.3-161.3 157.6 4.4 -51.9 48.0 42 135 A D S S- 0 0 105 1,-0.4 -2,-0.0 -2,-0.3 2,-0.0 0.165 73.9 -94.6-100.4 17.0 0.9 -51.3 49.2 43 136 A G - 0 0 18 -14,-0.1 2,-0.7 2,-0.1 -1,-0.4 0.002 44.0 -68.9 89.3 160.7 0.4 -50.0 45.6 44 137 A F - 0 0 6 -18,-0.2 -14,-0.1 -3,-0.1 2,-0.1 -0.799 55.1-151.1 -88.3 113.1 0.5 -46.5 44.0 45 138 A G > - 0 0 29 -2,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.373 23.1-110.3 -81.9 166.8 -2.5 -44.6 45.4 46 139 A I H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 115.8 52.9 -66.1 -34.2 -4.3 -41.8 43.6 47 140 A D H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 109.6 48.7 -68.3 -39.3 -3.0 -39.0 45.9 48 141 A T H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 114.3 46.5 -65.1 -41.8 0.6 -40.1 45.4 49 142 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.896 109.1 53.2 -69.5 -38.7 0.1 -40.1 41.6 50 143 A R H X S+ 0 0 42 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.873 111.4 49.2 -62.2 -35.8 -1.7 -36.7 41.7 51 144 A S H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.870 108.6 50.7 -71.4 -37.8 1.3 -35.4 43.5 52 145 A M H X S+ 0 0 2 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.846 111.8 48.2 -67.9 -36.7 3.8 -36.9 41.0 53 146 A V H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 3,-0.4 0.930 109.5 52.2 -69.5 -45.6 2.0 -35.4 38.1 54 147 A A H < S+ 0 0 5 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.927 111.0 47.0 -56.0 -48.8 1.8 -31.9 39.7 55 148 A V H < S+ 0 0 22 -4,-1.9 -1,-0.2 118,-0.5 -2,-0.2 0.771 117.9 41.9 -67.4 -24.8 5.5 -31.8 40.4 56 149 A M H < S+ 0 0 6 -4,-1.0 2,-1.9 -3,-0.4 -1,-0.2 0.562 86.1 103.3 -97.3 -12.6 6.4 -33.0 36.8 57 150 A D >< + 0 0 7 -4,-1.6 3,-1.5 -3,-0.4 5,-0.1 -0.456 40.6 166.5 -78.0 75.2 3.8 -30.8 35.1 58 151 A S T 3 S+ 0 0 98 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.763 74.0 44.0 -57.2 -39.0 6.1 -28.0 33.7 59 152 A D T 3 S- 0 0 83 4,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.207 105.6-123.4 -96.7 14.1 3.6 -26.4 31.3 60 153 A T < + 0 0 75 -3,-1.5 -2,-0.1 -6,-0.1 -6,-0.0 0.808 67.7 135.5 47.1 43.1 0.7 -26.5 33.8 61 154 A T S S- 0 0 64 2,-0.4 -1,-0.1 233,-0.0 3,-0.1 0.597 73.4-119.2 -88.2 -12.4 -1.7 -28.5 31.5 62 155 A G S S+ 0 0 20 1,-0.2 2,-0.3 -5,-0.1 -40,-0.3 0.208 87.3 64.1 92.9 -10.9 -2.5 -30.5 34.6 63 156 A K S S- 0 0 55 -42,-0.1 2,-0.6 -7,-0.1 -2,-0.4 -0.878 91.9 -87.2-136.9 170.1 -1.2 -33.7 32.9 64 157 A L B -A 20 0A 0 -44,-2.8 -44,-2.6 -2,-0.3 -7,-0.1 -0.693 35.3-157.4 -91.8 118.0 2.0 -35.2 31.6 65 158 A G > - 0 0 13 -2,-0.6 4,-2.8 -46,-0.2 5,-0.3 -0.156 40.3 -87.4 -77.3 179.9 3.0 -34.5 28.0 66 159 A F H > S+ 0 0 53 -48,-0.2 4,-2.0 1,-0.2 5,-0.1 0.924 128.5 39.6 -56.7 -51.1 5.4 -36.6 26.0 67 160 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 116.4 51.0 -69.0 -36.4 8.6 -34.9 27.2 68 161 A E H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.886 115.1 43.3 -67.4 -40.8 7.3 -34.6 30.8 69 162 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.835 110.1 56.9 -73.2 -34.9 6.4 -38.2 30.9 70 163 A K H X S+ 0 0 72 -4,-2.0 4,-2.1 -5,-0.3 5,-0.2 0.943 107.9 46.9 -61.7 -48.6 9.7 -39.2 29.2 71 164 A Y H X S+ 0 0 83 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.930 116.4 45.2 -59.4 -46.8 11.8 -37.5 32.0 72 165 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.915 111.5 51.2 -62.6 -47.8 9.7 -39.2 34.7 73 166 A W H X S+ 0 0 33 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.851 110.0 49.7 -59.9 -40.2 9.6 -42.7 33.1 74 167 A N H X S+ 0 0 67 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.860 109.9 50.3 -68.5 -39.2 13.4 -42.7 32.7 75 168 A N H X S+ 0 0 24 -4,-1.6 4,-3.3 2,-0.2 5,-0.2 0.929 110.3 50.5 -64.9 -44.1 14.0 -41.7 36.3 76 169 A I H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.919 110.0 49.5 -60.4 -43.8 11.7 -44.4 37.6 77 170 A K H X S+ 0 0 107 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.893 114.8 45.9 -63.5 -34.9 13.5 -47.0 35.5 78 171 A K H X S+ 0 0 97 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.890 114.8 46.3 -73.7 -39.8 16.8 -45.7 37.0 79 172 A W H X S+ 0 0 3 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.788 104.7 59.5 -75.9 -26.8 15.5 -45.6 40.5 80 173 A Q H X S+ 0 0 21 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.885 105.5 50.0 -68.0 -38.8 13.9 -49.0 40.5 81 174 A A H X S+ 0 0 47 -4,-1.0 4,-2.5 -5,-0.2 -1,-0.2 0.845 110.5 49.6 -66.9 -36.9 17.3 -50.6 39.7 82 175 A I H X S+ 0 0 12 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.872 107.1 55.8 -67.8 -39.8 18.9 -48.7 42.5 83 176 A Y H X S+ 0 0 1 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.912 113.5 40.7 -57.8 -46.5 16.1 -49.9 44.9 84 177 A K H >< S+ 0 0 90 -4,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.919 113.9 52.5 -69.3 -46.2 16.9 -53.5 44.0 85 178 A Q H 3< S+ 0 0 128 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.931 115.6 40.5 -57.4 -47.3 20.7 -53.0 44.0 86 179 A F H 3< S+ 0 0 51 -4,-2.9 2,-2.1 1,-0.2 3,-0.2 0.500 86.3 92.1 -83.9 -6.9 20.6 -51.5 47.5 87 180 A D X< + 0 0 6 -3,-0.7 3,-2.2 -4,-0.7 5,-0.2 -0.466 52.5 164.7 -84.8 64.9 18.1 -53.8 49.2 88 181 A V T 3 + 0 0 100 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.803 68.3 53.6 -55.9 -33.9 20.9 -56.0 50.3 89 182 A D T 3 S- 0 0 99 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.300 105.7-130.6 -85.4 12.1 18.9 -57.9 52.9 90 183 A R < + 0 0 148 -3,-2.2 -2,-0.1 -6,-0.2 -3,-0.0 0.819 61.6 141.4 42.7 42.5 16.5 -58.7 50.0 91 184 A S - 0 0 39 2,-0.4 -1,-0.1 -52,-0.0 3,-0.1 0.598 69.6-118.2 -85.3 -7.1 13.5 -57.6 52.2 92 185 A G S S+ 0 0 0 1,-0.3 39,-0.3 -54,-0.2 2,-0.3 0.583 88.8 79.6 79.9 8.5 11.8 -55.9 49.2 93 186 A T S S- 0 0 10 37,-0.1 2,-0.7 -9,-0.1 -2,-0.4 -0.954 83.1-112.6-142.7 161.1 12.1 -52.6 51.1 94 187 A I B -B 129 0B 1 35,-2.5 35,-2.0 -2,-0.3 2,-0.1 -0.877 35.4-157.9-102.4 112.0 14.7 -49.9 51.8 95 188 A G >> - 0 0 7 -2,-0.7 4,-2.2 33,-0.2 3,-1.0 -0.361 33.9 -94.6 -85.5 168.3 15.8 -49.8 55.5 96 189 A S T 34 S+ 0 0 57 30,-0.3 31,-0.1 31,-0.3 32,-0.1 0.837 126.7 45.0 -44.5 -48.5 17.3 -46.9 57.5 97 190 A S T 34 S+ 0 0 115 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.701 114.6 48.2 -72.3 -25.5 20.8 -48.3 56.9 98 191 A E T <> S+ 0 0 13 -3,-1.0 4,-1.6 2,-0.1 3,-0.2 0.751 96.7 76.1 -87.0 -23.9 20.2 -49.0 53.2 99 192 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.908 88.2 50.8 -55.7 -56.0 18.7 -45.5 52.5 100 193 A P H > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.855 112.1 49.3 -54.8 -38.9 21.8 -43.2 52.4 101 194 A G H > S+ 0 0 26 -4,-0.3 4,-1.7 -3,-0.2 -2,-0.2 0.860 110.9 49.4 -68.1 -38.3 23.6 -45.5 49.9 102 195 A A H X S+ 0 0 0 -4,-1.6 4,-1.0 -3,-0.4 -1,-0.2 0.921 114.7 43.9 -67.7 -44.4 20.6 -45.7 47.6 103 196 A F H X>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 4,-0.6 0.856 110.7 54.6 -69.7 -35.8 20.1 -41.8 47.6 104 197 A E H ><5S+ 0 0 116 -4,-2.2 3,-0.7 -5,-0.3 -1,-0.2 0.895 106.9 51.7 -64.4 -35.9 23.8 -41.3 47.1 105 198 A A H 3<5S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 107.0 53.2 -68.5 -27.3 23.6 -43.6 44.1 106 199 A A H 3<5S- 0 0 10 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.578 128.4-102.7 -82.0 -11.6 20.7 -41.4 42.8 107 200 A G T <<5S+ 0 0 52 -3,-0.7 2,-0.5 -4,-0.6 -3,-0.2 0.630 77.9 131.6 100.4 17.9 23.1 -38.4 43.3 108 201 A F < - 0 0 19 -5,-2.9 2,-0.6 -8,-0.1 -1,-0.3 -0.898 33.0-172.8-111.6 129.0 21.8 -36.9 46.5 109 202 A H + 0 0 138 -2,-0.5 2,-0.3 -5,-0.1 -5,-0.0 -0.893 20.7 162.8-120.2 98.2 24.0 -35.9 49.4 110 203 A L - 0 0 24 -2,-0.6 -6,-0.0 -10,-0.1 -2,-0.0 -0.810 36.2-108.7-114.6 156.7 21.9 -34.9 52.4 111 204 A N > - 0 0 70 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.260 34.7-103.9 -79.8 167.4 22.8 -34.6 56.0 112 205 A E H > S+ 0 0 176 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.806 119.5 59.2 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19.4-107.5 -19.9 8.2 -41.9 54.2 123 216 A S T <5 + 0 0 1 -4,-1.6 -3,-0.2 -5,-0.4 5,-0.2 0.699 68.1 148.1-108.8 -74.4 9.2 -45.0 56.3 124 217 A D < + 0 0 69 -5,-2.7 -4,-0.1 1,-0.2 -5,-0.0 0.847 53.7 72.9 31.5 79.6 8.2 -44.4 59.9 125 218 A E S S- 0 0 135 -6,-0.0 -1,-0.2 4,-0.0 4,-0.1 0.001 127.1 -19.2-166.1 -64.7 7.4 -48.0 61.0 126 219 A G S S- 0 0 56 2,-0.2 -30,-0.3 0, 0.0 3,-0.1 -0.035 106.2 -89.8-142.3 10.3 10.6 -50.0 61.5 127 220 A G S S+ 0 0 9 1,-0.3 2,-0.4 -8,-0.1 -31,-0.3 0.664 87.4 138.9 83.0 17.1 12.3 -47.5 59.3 128 221 A N - 0 0 44 -33,-0.2 2,-0.5 -5,-0.2 -1,-0.3 -0.802 38.9-157.2 -99.0 140.6 11.5 -49.4 56.1 129 222 A M B -B 94 0B 0 -35,-2.0 -35,-2.5 -2,-0.4 -6,-0.1 -0.963 10.4-146.2-116.8 120.7 10.4 -47.7 52.9 130 223 A D > - 0 0 23 -2,-0.5 4,-1.9 -8,-0.3 -89,-0.2 -0.219 33.4 -92.6 -79.1 178.9 8.4 -49.6 50.4 131 224 A F H > S+ 0 0 4 -91,-2.6 4,-2.3 -92,-0.7 5,-0.2 0.869 120.7 47.1 -60.0 -47.5 8.7 -49.1 46.6 132 225 A D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 114.4 48.9 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4,-2.3 170,-0.2 170,-0.2 -0.522 44.9 -93.1 -96.5 176.9 7.1 -13.3 47.7 163 256 A I H > S+ 0 0 44 168,-0.6 4,-2.3 1,-0.2 5,-0.2 0.860 121.8 51.3 -62.0 -35.4 3.9 -15.0 48.9 164 257 A Q H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 114.2 43.8 -65.7 -48.7 2.5 -15.7 45.4 165 258 A E H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 112.7 53.3 -61.3 -44.8 5.7 -17.4 44.3 166 259 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.873 109.5 47.4 -57.9 -46.4 5.9 -19.3 47.6 167 260 A L H X>S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 5,-0.6 0.876 111.5 50.9 -67.4 -35.0 2.4 -20.7 47.4 168 261 A Q H X5S+ 0 0 78 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.909 113.7 45.3 -67.4 -39.5 3.0 -21.8 43.8 169 262 A L H <5S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 123.6 32.4 -71.0 -38.0 6.2 -23.5 44.8 170 263 A T H <5S+ 0 0 0 -4,-2.1 3,-0.2 -5,-0.1 -2,-0.2 0.685 123.6 40.7 -95.7 -23.3 4.9 -25.3 47.9 171 264 A M H <5S+ 0 0 1 -4,-2.4 2,-1.5 -5,-0.2 -3,-0.2 0.745 102.1 66.1 -96.6 -34.9 1.2 -25.9 46.9 172 265 A Y << 0 0 25 -4,-1.1 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-1,-0.2 0.913 111.9 47.4 -65.0 -43.6 -10.4 -37.5 76.9 183 102 B L H X S+ 0 0 52 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.962 117.0 42.0 -60.6 -55.7 -10.6 -37.7 73.0 184 103 B F H X S+ 0 0 19 -4,-3.0 4,-3.6 2,-0.2 5,-0.3 0.924 111.9 55.3 -57.1 -48.8 -6.9 -37.1 72.6 185 104 B A H X S+ 0 0 61 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.902 113.5 41.8 -52.9 -44.3 -6.0 -39.4 75.5 186 105 B Q H < S+ 0 0 153 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.842 118.7 44.3 -73.8 -34.6 -7.9 -42.2 73.9 187 106 B L H < S+ 0 0 28 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.898 111.3 52.3 -75.4 -44.3 -6.7 -41.6 70.4 188 107 B A H ><>S+ 0 0 2 -4,-3.6 3,-0.7 -5,-0.2 5,-0.7 0.865 86.1 172.8 -61.3 -42.5 -3.0 -41.0 71.2 189 108 B G G ><5 - 0 0 37 -4,-1.4 3,-1.7 -5,-0.3 -1,-0.1 -0.272 50.8 -4.8 71.1-150.1 -2.7 -44.3 73.2 190 109 B D G 3 5S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.640 134.7 43.0 -53.3 -34.8 0.5 -45.7 74.6 191 110 B D G < 5S- 0 0 81 -3,-0.7 -1,-0.3 2,-0.3 -2,-0.1 0.332 103.8-125.3 -99.2 7.8 3.0 -43.3 73.2 192 111 B M T < 5S+ 0 0 147 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