==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 17-MAR-10 3M7R . COMPND 2 MOLECULE: VITAMIN D3 RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.ROCHEL,S.HOURAI,D.MORAS . 253 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 73.1 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 0 2 0 0 0 0 1 0 0 0 1 1 0 1 1 0 1 0 0 0 0 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 120 A L 0 0 206 0, 0.0 197,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 33.6 17.4 66.5 2 121 A R - 0 0 166 197,-0.1 193,-0.0 0, 0.0 0, 0.0 -0.611 360.0-164.8-128.9 70.9 33.1 15.1 63.4 3 122 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 196,-0.1 -0.290 26.3-112.2 -58.1 137.9 30.9 12.3 64.5 4 123 A K - 0 0 192 1,-0.1 2,-0.2 194,-0.0 192,-0.1 -0.314 38.4 -90.8 -69.4 155.0 30.9 9.4 62.0 5 124 A L - 0 0 14 190,-0.1 -1,-0.1 1,-0.1 187,-0.0 -0.501 45.9-125.9 -66.9 130.1 27.8 8.6 60.1 6 125 A S > - 0 0 49 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.209 23.7-105.7 -70.2 169.5 25.7 6.1 62.0 7 126 A E H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 124.1 50.7 -63.7 -38.4 24.6 2.9 60.3 8 127 A E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 110.4 48.5 -64.8 -43.9 21.1 4.3 60.0 9 128 A Q H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 111.0 50.0 -64.2 -40.3 22.4 7.5 58.4 10 129 A Q H X S+ 0 0 80 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.890 111.6 49.5 -65.1 -37.0 24.5 5.6 56.0 11 130 A R H X S+ 0 0 154 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.866 108.0 54.1 -68.6 -37.0 21.4 3.5 55.1 12 131 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.939 109.9 46.4 -62.1 -47.8 19.4 6.7 54.6 13 132 A I H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.908 112.1 51.2 -61.4 -42.9 21.9 8.1 52.1 14 133 A A H X S+ 0 0 55 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.925 110.9 48.2 -60.3 -46.1 22.1 4.8 50.3 15 134 A I H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.901 112.9 47.7 -62.2 -43.2 18.3 4.7 50.0 16 135 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.864 111.9 49.1 -68.4 -35.8 18.1 8.3 48.8 17 136 A L H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 114.4 45.6 -67.3 -45.0 20.8 7.7 46.2 18 137 A D H X S+ 0 0 70 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.923 111.7 52.7 -61.5 -45.6 19.1 4.6 45.0 19 138 A A H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.899 111.6 45.9 -57.6 -44.4 15.8 6.4 44.9 20 139 A H H >X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 3,-0.7 0.904 109.4 54.0 -67.1 -42.1 17.2 9.2 42.8 21 140 A H H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.1 47.3 -62.7 -28.6 18.9 6.8 40.4 22 141 A K H 3< S+ 0 0 134 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.640 120.6 36.5 -85.8 -15.8 15.6 5.1 39.9 23 142 A T H << S+ 0 0 13 -4,-0.8 2,-0.5 -3,-0.7 -2,-0.2 0.437 107.4 63.3-117.8 -1.6 13.7 8.3 39.3 24 143 A Y < - 0 0 16 -4,-1.7 -1,-0.2 -5,-0.1 43,-0.0 -0.903 64.6-159.1-129.0 103.5 16.1 10.6 37.5 25 144 A D > - 0 0 42 -2,-0.5 3,-1.7 1,-0.1 5,-0.1 -0.721 1.0-162.9 -83.3 105.6 17.2 9.4 34.0 26 145 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.522 89.4 55.8 -67.0 -5.9 20.4 11.2 33.2 27 146 A T T 3 S- 0 0 93 92,-0.0 -2,-0.0 91,-0.0 91,-0.0 0.499 95.9-141.2-101.7 -8.6 20.0 10.3 29.5 28 147 A Y X + 0 0 32 -3,-1.7 3,-1.2 1,-0.1 4,-0.2 0.817 42.8 158.2 51.8 35.8 16.6 12.0 29.3 29 148 A S T 3 + 0 0 69 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.610 62.7 57.6 -66.9 -15.1 15.6 9.1 27.0 30 149 A D T > S+ 0 0 47 1,-0.2 3,-2.6 -5,-0.1 4,-0.4 0.626 79.7 90.7 -89.4 -14.6 11.8 9.5 27.7 31 150 A F G X S+ 0 0 13 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.734 74.2 66.5 -54.6 -26.3 11.7 13.1 26.5 32 151 A C G 3 S+ 0 0 89 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.647 93.4 63.1 -71.6 -11.5 10.9 12.1 22.9 33 152 A Q G < S+ 0 0 150 -3,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.659 84.8 92.4 -85.0 -18.4 7.6 10.8 24.2 34 153 A F S < S- 0 0 22 -3,-1.1 25,-0.1 -4,-0.4 26,-0.1 -0.271 100.7 -79.6 -70.3 161.7 6.4 14.3 25.3 35 154 A R S S- 0 0 78 23,-0.4 -1,-0.2 1,-0.1 27,-0.1 -0.408 70.0 -89.8 -58.4 141.3 4.4 16.4 23.0 36 155 A P - 0 0 93 0, 0.0 23,-0.3 0, 0.0 2,-0.2 -0.182 37.0-113.5 -59.3 144.5 7.0 17.9 20.6 37 156 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.542 31.3-165.4 -76.4 144.0 8.8 21.2 21.4 38 157 A V - 0 0 75 17,-0.5 2,-0.6 -2,-0.2 21,-0.1 -0.999 4.4-162.3-133.2 128.9 7.9 24.0 19.0 39 158 A R - 0 0 77 -2,-0.4 2,-0.1 16,-0.1 90,-0.1 -0.886 7.4-166.1-120.6 104.3 10.0 27.2 18.8 40 159 A V - 0 0 33 -2,-0.6 2,-0.9 1,-0.1 92,-0.0 -0.356 37.9 -90.2 -80.6 163.4 8.4 30.2 17.1 41 160 A N + 0 0 161 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.655 63.6 144.5 -78.9 107.1 10.3 33.3 16.0 42 161 A D > + 0 0 12 -2,-0.9 3,-2.7 1,-0.1 -1,-0.1 -0.241 2.9 147.1-138.4 46.9 10.1 35.7 19.0 43 162 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.786 76.2 60.3 -54.5 -25.4 13.5 37.5 19.1 44 163 A G T 3 S- 0 0 76 -3,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.606 105.5-129.1 -79.5 -10.7 11.6 40.4 20.5 45 164 A G < - 0 0 39 -3,-2.7 2,-0.5 1,-0.2 -2,-0.1 0.927 36.6-171.8 62.6 42.9 10.4 38.5 23.5 46 216 A S > - 0 0 48 1,-0.2 4,-2.7 -4,-0.1 -1,-0.2 -0.592 20.9-161.7 -74.3 116.8 6.9 39.6 22.8 47 217 A V H > S+ 0 0 90 -2,-0.5 4,-2.9 2,-0.2 5,-0.3 0.917 92.8 55.5 -62.7 -42.4 4.5 38.6 25.6 48 218 A T H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 112.6 40.9 -56.1 -47.7 1.6 39.0 23.3 49 219 A L H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.911 113.1 54.1 -67.7 -43.9 3.0 36.6 20.8 50 220 A E H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.914 113.6 42.5 -57.1 -44.5 4.2 34.2 23.5 51 221 A L H < S+ 0 0 34 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.0 55.5 -71.9 -35.4 0.8 34.0 25.0 52 222 A S H < S+ 0 0 79 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.854 125.7 20.8 -66.2 -33.5 -1.0 33.7 21.6 53 223 A Q H < - 0 0 80 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.822 68.9-170.8-103.8 -40.6 1.1 30.7 20.6 54 224 A L >< + 0 0 3 -4,-2.8 3,-1.3 -5,-0.4 -3,-0.1 0.881 22.7 170.5 44.4 42.5 2.4 29.1 23.8 55 225 A S T 3 + 0 0 15 1,-0.3 -17,-0.5 -5,-0.2 4,-0.3 0.771 69.1 40.0 -54.7 -34.4 4.5 27.0 21.4 56 226 A M T 3> S+ 0 0 0 76,-1.6 4,-2.5 -19,-0.2 5,-0.3 0.490 92.7 89.2 -96.3 -2.7 6.7 25.4 24.0 57 227 A L H <> S+ 0 0 6 -3,-1.3 4,-3.0 75,-0.6 5,-0.3 0.899 82.5 52.2 -64.7 -44.1 4.0 24.9 26.7 58 228 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -23,-0.4 0.950 115.7 42.8 -58.2 -44.5 2.8 21.4 25.6 59 229 A H H > S+ 0 0 0 -23,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.944 119.1 41.2 -65.6 -50.2 6.4 20.1 25.7 60 230 A L H X S+ 0 0 22 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.837 113.2 54.4 -69.8 -31.2 7.5 21.8 28.9 61 231 A A H X S+ 0 0 5 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.901 110.6 46.9 -67.0 -39.3 4.1 21.0 30.6 62 232 A D H X S+ 0 0 28 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.897 112.0 50.8 -67.1 -39.9 4.7 17.3 29.7 63 233 A L H X S+ 0 0 32 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 114.1 44.0 -62.7 -44.8 8.2 17.5 31.0 64 234 A V H X S+ 0 0 36 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 113.9 49.6 -67.3 -43.2 7.0 19.1 34.3 65 235 A S H X S+ 0 0 12 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.908 112.2 48.7 -61.0 -42.8 4.2 16.6 34.6 66 236 A Y H X S+ 0 0 31 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.916 111.5 50.4 -61.6 -45.3 6.6 13.7 34.0 67 237 A S H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.861 105.2 55.3 -63.7 -37.7 8.9 15.2 36.6 68 238 A I H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 107.1 51.7 -62.1 -40.0 6.2 15.5 39.2 69 239 A Q H X S+ 0 0 119 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.910 110.4 47.9 -62.2 -41.2 5.5 11.8 38.7 70 240 A K H X S+ 0 0 65 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.880 110.6 51.5 -66.8 -38.1 9.2 11.1 39.3 71 241 A V H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.879 106.7 53.6 -66.0 -38.6 9.2 13.3 42.4 72 242 A I H X S+ 0 0 57 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.938 111.1 47.3 -60.3 -43.8 6.2 11.4 43.7 73 243 A G H X S+ 0 0 25 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.885 112.7 48.0 -64.0 -40.6 8.2 8.2 43.3 74 244 A F H >< S+ 0 0 4 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.935 110.5 52.3 -65.0 -47.1 11.3 9.7 44.9 75 245 A A H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.876 101.6 59.2 -57.3 -42.2 9.3 11.0 47.8 76 246 A K H 3< S+ 0 0 85 -4,-2.1 6,-0.3 1,-0.3 -1,-0.3 0.742 105.7 51.2 -61.5 -21.6 7.7 7.6 48.5 77 247 A M T << S+ 0 0 45 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.488 79.5 113.3 -93.8 -5.7 11.2 6.2 49.0 78 248 A I S X> S- 0 0 3 -3,-1.7 3,-2.1 -4,-0.4 4,-0.5 -0.546 83.9-104.2 -67.9 122.8 12.3 8.9 51.5 79 249 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.261 105.2 11.2 -51.0 122.2 12.8 7.0 54.8 80 250 A G T >4 S+ 0 0 11 -4,-0.1 3,-2.2 -3,-0.0 4,-0.5 0.030 94.6 107.9 98.4 -27.5 9.8 7.9 57.0 81 251 A F G X4 S+ 0 0 0 -3,-2.1 3,-1.5 1,-0.3 -5,-0.1 0.883 79.0 52.7 -50.6 -44.3 7.7 9.5 54.3 82 252 A R G 3< S+ 0 0 157 -4,-0.5 -1,-0.3 -6,-0.3 -6,-0.1 0.583 95.1 70.4 -71.4 -8.1 5.3 6.5 54.2 83 253 A D G < S+ 0 0 117 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.640 86.7 86.8 -80.3 -14.6 4.9 6.8 58.0 84 254 A L S < S- 0 0 7 -3,-1.5 -4,-0.0 -4,-0.5 -3,-0.0 -0.431 93.1 -96.4 -82.2 159.5 2.9 10.0 57.3 85 255 A T > - 0 0 75 -2,-0.1 4,-2.4 1,-0.1 -1,-0.1 -0.276 32.8-114.2 -68.5 162.2 -0.8 10.1 56.6 86 256 A S H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.853 117.7 56.1 -68.2 -32.5 -1.8 10.2 52.9 87 257 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 111.2 42.2 -64.6 -45.1 -3.3 13.6 53.4 88 258 A D H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.898 111.9 56.1 -67.4 -40.1 0.1 14.9 54.8 89 259 A Q H X S+ 0 0 29 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 111.7 42.4 -57.1 -45.9 1.9 13.1 52.0 90 260 A I H X S+ 0 0 75 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.873 111.0 55.3 -70.2 -38.2 -0.1 14.8 49.3 91 261 A V H X S+ 0 0 31 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.935 111.9 44.4 -59.5 -45.5 0.1 18.2 51.0 92 262 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.892 113.8 49.7 -66.6 -41.7 3.9 17.9 51.0 93 263 A L H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.935 112.3 45.9 -64.5 -48.0 4.1 16.7 47.5 94 264 A K H < S+ 0 0 78 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.892 116.2 45.8 -63.7 -39.1 1.8 19.4 46.0 95 265 A S H < S+ 0 0 24 -4,-1.9 4,-0.2 -5,-0.3 -1,-0.2 0.795 121.3 35.8 -75.6 -28.9 3.6 22.2 47.9 96 266 A S H >X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 3,-0.5 0.612 88.8 97.3 -99.7 -15.1 7.2 21.1 47.1 97 267 A A H 3X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.3 5,-0.2 0.876 87.8 41.6 -40.0 -60.1 6.7 19.7 43.6 98 268 A I H 3> S+ 0 0 10 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.844 115.4 52.7 -63.2 -31.6 7.9 22.8 41.7 99 269 A E H <> S+ 0 0 1 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.2 0.907 109.6 46.4 -70.4 -42.6 10.7 23.3 44.2 100 270 A V H X S+ 0 0 1 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.870 110.7 54.2 -68.0 -34.9 12.1 19.8 43.8 101 271 A I H X S+ 0 0 21 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.930 108.5 48.9 -63.3 -43.7 11.8 20.1 40.0 102 272 A M H < S+ 0 0 8 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.924 114.9 45.5 -62.4 -42.0 13.9 23.3 40.2 103 273 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-0.2 0.947 114.5 45.4 -65.8 -49.6 16.5 21.5 42.4 104 274 A R H >< S+ 0 0 17 -4,-3.3 3,-1.8 1,-0.3 4,-0.3 0.821 102.7 65.8 -66.3 -28.9 16.6 18.3 40.3 105 275 A S G >X S+ 0 0 21 -4,-2.2 4,-1.6 1,-0.3 3,-1.4 0.669 80.6 81.2 -66.5 -15.8 16.8 20.2 37.1 106 276 A N G <4 S+ 0 0 15 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.780 81.6 65.5 -61.0 -23.7 20.2 21.5 38.3 107 277 A E G <4 S+ 0 0 72 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.802 109.0 36.1 -69.3 -28.5 21.6 18.2 37.0 108 278 A S T <4 S+ 0 0 14 -3,-1.4 9,-2.3 -4,-0.3 -1,-0.2 0.635 96.7 101.7 -96.5 -17.9 20.7 19.1 33.4 109 279 A F E < -A 116 0A 2 -4,-1.6 2,-0.4 7,-0.3 7,-0.3 -0.427 55.6-166.8 -67.0 139.1 21.6 22.8 33.8 110 280 A T E >>> -A 115 0A 26 5,-2.8 5,-1.3 -2,-0.1 4,-0.9 -0.994 26.7-152.2-132.7 137.1 24.9 23.7 32.4 111 281 A M T 345S+ 0 0 69 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.439 84.0 90.2 -84.1 2.4 26.9 26.9 32.9 112 282 A D T 345S- 0 0 154 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.939 121.3 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106.2 74.2 -67.9 -20.5 11.2 36.7 33.0 138 308 A E H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 89,-0.1 0.729 111.2 28.3 -64.2 -19.7 10.2 37.7 36.6 139 309 A L H <> S+ 0 0 6 -3,-1.6 4,-2.0 3,-0.1 -2,-0.2 0.803 119.9 52.6-104.6 -49.2 10.5 34.0 37.3 140 310 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.876 105.6 52.4 -58.7 -44.7 13.0 32.8 34.8 141 311 A E H X S+ 0 0 119 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.956 113.7 42.7 -60.6 -49.2 15.8 35.3 35.6 142 312 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.841 112.5 57.0 -64.7 -30.8 15.8 34.6 39.3 143 313 A L H X S+ 0 0 19 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 106.9 47.3 -64.4 -46.2 15.5 30.9 38.4 144 314 A I H X S+ 0 0 23 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.925 110.7 51.2 -61.7 -44.5 18.7 31.0 36.4 145 315 A K H X S+ 0 0 166 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.901 110.4 50.8 -59.7 -39.0 20.5 32.9 39.1 146 316 A F H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.919 108.5 51.2 -64.2 -45.0 19.4 30.2 41.5 147 317 A Q H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 111.1 47.6 -59.5 -45.7 20.7 27.4 39.2 148 318 A V H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.933 112.2 49.6 -61.9 -46.1 24.1 29.1 38.9 149 319 A G H X S+ 0 0 20 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.888 112.6 47.1 -60.4 -39.4 24.3 29.5 42.7 150 320 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 2,-0.2 5,-0.5 0.892 109.7 54.5 -69.3 -38.5 23.4 25.9 43.3 151 321 A K H >< S+ 0 0 61 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.937 103.2 56.5 -58.0 -48.7 25.9 24.8 40.7 152 322 A K H 3< S+ 0 0 142 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.656 91.6 70.2 -59.9 -18.7 28.6 26.7 42.5 153 323 A L T << S- 0 0 24 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.708 89.9-150.6 -72.5 -16.9 27.9 24.8 45.7 154 324 A N < - 0 0 122 -3,-2.2 -3,-0.1 -4,-0.4 -2,-0.1 0.906 21.4-161.9 48.1 49.8 29.4 21.7 43.9 155 325 A L - 0 0 34 -5,-0.5 -1,-0.1 -4,-0.1 2,-0.1 -0.290 16.7-121.5 -64.6 143.5 27.2 19.4 45.9 156 326 A H > - 0 0 54 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.442 32.4-109.6 -74.1 160.6 28.1 15.7 46.2 157 327 A E H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.871 121.9 59.7 -62.1 -32.1 25.2 13.6 44.9 158 328 A E H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 108.4 43.2 -59.8 -41.5 24.6 12.6 48.5 159 329 A E H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.894 111.4 55.6 -71.5 -39.6 24.1 16.2 49.4 160 330 A H H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.928 111.4 42.0 -58.3 -49.9 21.9 16.8 46.4 161 331 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.843 113.4 52.7 -70.4 -33.0 19.5 14.0 47.2 162 332 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.3 5,-0.2 0.916 108.1 51.8 -68.1 -40.4 19.4 14.9 50.9 163 333 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 109.9 48.6 -62.3 -42.8 18.5 18.5 50.0 164 334 A M H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 112.8 48.7 -63.8 -39.5 15.6 17.4 47.8 165 335 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.937 111.6 48.2 -64.8 -46.3 14.4 15.1 50.6 166 336 A I H < S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.0 55.4 -60.7 -39.2 14.6 17.8 53.2 167 337 A C H < S+ 0 0 1 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.931 111.4 43.5 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60.0 178 348 A D > + 0 0 66 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 -0.595 63.7 160.4 -99.4 73.1 1.2 16.3 61.9 179 349 A A H > S+ 0 0 36 -2,-1.1 4,-2.7 -3,-0.3 -1,-0.2 0.835 73.2 60.6 -60.0 -33.5 3.9 18.9 61.7 180 350 A A H > S+ 0 0 73 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 106.7 43.1 -60.6 -48.8 5.6 17.2 64.6 181 351 A L H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.927 114.4 51.3 -63.2 -46.2 6.1 13.9 62.8 182 352 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.903 109.8 49.7 -58.2 -42.8 7.2 15.7 59.6 183 353 A E H X S+ 0 0 98 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.873 107.8 54.0 -65.8 -36.6 9.7 17.7 61.5 184 354 A A H X S+ 0 0 57 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.913 111.0 46.0 -63.1 -42.5 11.1 14.6 63.2 185 355 A I H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.940 114.5 47.5 -65.0 -47.0 11.6 13.0 59.8 186 356 A Q H X S+ 0 0 31 -4,-2.6 4,-3.6 1,-0.2 5,-0.2 0.890 109.6 52.9 -62.8 -40.5 13.2 16.2 58.4 187 357 A D H X S+ 0 0 67 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.888 106.2 53.6 -62.5 -37.8 15.5 16.5 61.4 188 358 A R H X S+ 0 0 74 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.907 114.6 42.6 -61.8 -39.8 16.6 12.9 60.8 189 359 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.921 113.8 49.7 -71.6 -46.8 17.5 14.0 57.3 190 360 A S H X S+ 0 0 10 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 0.889 110.1 51.4 -61.1 -40.1 19.0 17.3 58.2 191 361 A N H X S+ 0 0 84 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.883 108.7 51.6 -65.0 -36.6 21.2 15.7 60.8 192 362 A T H X S+ 0 0 0 -4,-1.4 4,-3.1 -5,-0.2 -2,-0.2 0.947 112.4 46.1 -63.3 -47.6 22.4 13.1 58.2 193 363 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.929 114.0 46.9 -60.2 -48.6 23.2 16.0 55.8 194 364 A Q H X S+ 0 0 59 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.909 115.5 46.5 -62.1 -40.9 25.0 18.0 58.5 195 365 A T H X S+ 0 0 11 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.901 112.5 50.5 -67.6 -41.9 26.9 14.9 59.6 196 366 A Y H X>S+ 0 0 13 -4,-3.1 4,-1.5 -5,-0.2 5,-0.6 0.933 110.8 48.1 -61.7 -48.7 27.8 13.9 56.1 197 367 A I H X5S+ 0 0 3 -4,-2.8 4,-1.4 1,-0.2 3,-0.3 0.915 110.2 52.7 -58.5 -45.6 29.1 17.4 55.2 198 368 A R H <5S+ 0 0 59 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.727 123.7 25.0 -65.8 -24.4 31.3 17.5 58.4 199 369 A C H <5S+ 0 0 23 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.376 132.1 31.1-123.9 5.9 33.0 14.2 57.8 200 370 A R H <5S+ 0 0 119 -4,-1.5 -3,-0.2 -3,-0.3 -2,-0.1 0.537 94.6 84.2-134.7 -20.7 32.9 13.6 54.0 201 371 A H S < S+ 0 0 87 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.068 88.8 90.5 68.8 -30.4 29.4 26.8 56.0 209 379 A L H > S+ 0 0 6 -2,-1.2 4,-2.3 -4,-0.4 5,-0.2 0.878 78.2 57.3 -64.1 -39.3 28.0 24.5 53.3 210 380 A Y H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 107.8 47.9 -58.3 -44.6 25.0 23.4 55.4 211 381 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 110.5 51.4 -62.5 -42.7 24.0 27.1 55.9 212 382 A K H X S+ 0 0 94 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.866 111.1 48.4 -63.8 -36.0 24.3 27.8 52.1 213 383 A M H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 3,-0.2 0.905 109.7 50.9 -70.7 -41.7 22.1 24.7 51.4 214 384 A I H X S+ 0 0 59 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.845 106.6 56.3 -63.9 -32.5 19.5 25.8 53.9 215 385 A Q H X S+ 0 0 103 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.845 100.8 57.9 -67.2 -32.7 19.5 29.2 52.3 216 386 A K H X S+ 0 0 31 -4,-1.1 4,-2.3 -3,-0.2 -1,-0.2 0.841 101.5 55.3 -65.7 -32.6 18.7 27.6 48.9 217 387 A L H X S+ 0 0 22 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.886 108.3 48.4 -66.5 -37.0 15.6 26.1 50.5 218 388 A A H X S+ 0 0 45 -4,-1.3 4,-1.4 2,-0.2 3,-0.3 0.915 110.2 51.1 -67.4 -43.2 14.5 29.6 51.5 219 389 A D H X S+ 0 0 49 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.891 105.6 57.3 -59.6 -40.7 15.3 30.8 47.9 220 390 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.847 100.4 57.0 -59.5 -37.1 13.1 28.0 46.6 221 391 A R H X S+ 0 0 70 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.917 108.1 47.1 -61.8 -42.3 10.1 29.2 48.6 222 392 A S H X S+ 0 0 83 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.902 112.8 48.5 -65.6 -41.7 10.4 32.6 46.9 223 393 A L H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.875 109.4 54.2 -65.2 -36.8 10.7 30.9 43.5 224 394 A N H X S+ 0 0 26 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.955 110.6 45.2 -60.7 -51.7 7.7 28.8 44.4 225 395 A E H X S+ 0 0 120 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.873 113.5 50.1 -60.9 -38.7 5.6 31.9 45.2 226 396 A E H X S+ 0 0 38 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.911 110.1 50.1 -68.0 -41.1 6.8 33.6 42.0 227 397 A H H X S+ 0 0 17 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.904 107.5 54.2 -63.5 -40.1 5.9 30.6 39.9 228 398 A S H X S+ 0 0 38 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 108.5 49.5 -60.5 -41.5 2.4 30.4 41.4 229 399 A K H X S+ 0 0 118 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.933 114.8 43.2 -62.8 -46.9 1.8 34.1 40.5 230 400 A Q H X S+ 0 0 26 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.853 110.5 55.3 -68.5 -35.9 3.0 33.5 36.9 231 401 A Y H X S+ 0 0 15 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.893 104.9 55.0 -63.7 -38.7 1.1 30.2 36.6 232 402 A R H X S+ 0 0 126 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.944 109.7 45.6 -59.0 -48.5 -2.1 32.1 37.6 233 403 A C H >< S+ 0 0 60 -4,-1.6 3,-1.4 1,-0.2 4,-0.4 0.931 111.9 51.4 -60.8 -46.3 -1.6 34.6 34.8 234 404 A L H >< S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.896 102.6 61.1 -57.7 -39.2 -0.8 31.8 32.3 235 405 A S H 3< S+ 0 0 56 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 92.0 66.9 -62.4 -20.0 -4.0 30.1 33.4 236 406 A F T << S+ 0 0 150 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.659 76.7 103.4 -75.1 -15.8 -6.0 33.1 32.2 237 407 A Q S X S- 0 0 56 -3,-1.9 3,-1.9 -4,-0.4 4,-0.3 -0.551 83.7-112.2 -72.9 121.4 -5.1 32.4 28.6 238 408 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.229 99.3 13.9 -54.1 137.8 -8.0 30.7 26.7 239 409 A E T 3> S+ 0 0 120 -4,-0.1 4,-0.5 1,-0.1 3,-0.4 0.543 88.1 125.6 73.0 10.1 -7.3 27.1 25.8 240 410 A C H X> + 0 0 3 -3,-1.9 3,-1.6 1,-0.2 4,-0.6 0.878 60.1 66.1 -65.9 -38.9 -4.3 26.9 28.1 241 411 A S H >4 S+ 0 0 69 1,-0.3 3,-1.1 -4,-0.3 -1,-0.2 0.845 96.2 56.1 -52.9 -38.3 -5.7 23.9 30.0 242 412 A M H 34 S+ 0 0 118 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.753 103.9 54.4 -67.1 -24.4 -5.3 21.7 27.0 243 413 A K H << S+ 0 0 55 -3,-1.6 -182,-0.3 -4,-0.5 -1,-0.3 0.555 109.9 53.4 -86.2 -8.4 -1.6 22.6 26.7 244 414 A L S << S- 0 0 11 -3,-1.1 -182,-0.1 -4,-0.6 -183,-0.1 -0.002 89.1-111.1-101.2-152.0 -1.0 21.5 30.3 245 415 A T > - 0 0 17 1,-0.1 4,-2.9 -184,-0.1 5,-0.3 -0.974 23.5-107.7-144.4 157.7 -1.9 18.1 31.9 246 416 A P H > S+ 0 0 113 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.894 120.5 49.5 -52.3 -43.9 -4.4 16.9 34.5 247 417 A L H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 112.0 47.8 -63.3 -43.0 -1.6 16.4 37.1 248 418 A V H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.924 111.0 51.2 -64.5 -43.5 -0.2 19.9 36.4 249 419 A L H X S+ 0 0 67 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.893 113.6 45.5 -60.7 -39.8 -3.6 21.5 36.7 250 420 A E H < S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.941 113.5 47.4 -70.1 -47.3 -4.2 19.8 40.0 251 421 A V H < S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.909 128.5 23.6 -62.8 -42.5 -0.8 20.6 41.5 252 422 A F H < 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.533 360.0 360.0-103.3 -7.0 -0.8 24.3 40.6 253 423 A G < 0 0 92 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.498 360.0 360.0 -86.4 360.0 -4.5 24.9 40.2