==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 31-JUL-07 2QSF . COMPND 2 MOLECULE: DNA REPAIR PROTEIN RAD4; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.-H.MIN,N.P.PAVLETICH . 590 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 34 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 1 2 3 1 1 3 2 1 0 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 6 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 1 1 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 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 1 126 A R 0 0 285 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.4 35.7 39.1 60.3 2 127 A T - 0 0 105 4,-0.0 2,-0.1 2,-0.0 4,-0.0 -0.975 360.0 -99.7-139.1 152.2 34.4 42.3 58.8 3 128 A S > - 0 0 79 -2,-0.3 3,-1.2 1,-0.1 0, 0.0 -0.383 31.9-126.5 -65.2 143.3 34.2 46.0 59.5 4 129 A R T 3 S+ 0 0 233 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.570 105.2 55.6 -70.4 -8.0 30.8 47.2 60.8 5 130 A N T 3 S+ 0 0 127 2,-0.0 166,-0.7 165,-0.0 2,-0.3 0.041 84.4 105.6-113.8 28.1 30.4 49.9 58.2 6 131 A V B < S-A 170 0A 43 -3,-1.2 164,-0.2 164,-0.2 3,-0.1 -0.785 75.1-100.4-106.9 147.8 30.8 47.7 55.1 7 132 A C - 0 0 15 162,-2.6 -1,-0.1 -2,-0.3 -2,-0.0 -0.139 48.4 -83.2 -63.6 163.4 28.0 46.6 52.8 8 133 A S > - 0 0 67 1,-0.1 4,-1.2 3,-0.0 -1,-0.1 0.146 38.3-108.7 -54.5 178.6 26.4 43.2 52.9 9 134 A N H > S+ 0 0 94 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.807 118.5 53.2 -83.6 -32.4 27.8 40.2 51.2 10 135 A E H > S+ 0 0 143 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.941 109.8 49.0 -66.3 -46.5 25.2 40.1 48.6 11 136 A E H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 106.2 55.9 -60.8 -40.3 25.9 43.7 47.7 12 137 A R H X S+ 0 0 93 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.906 114.0 41.8 -58.9 -38.7 29.6 43.0 47.5 13 138 A K H X S+ 0 0 98 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.874 110.0 55.3 -74.6 -42.0 28.8 40.3 45.0 14 139 A R H X S+ 0 0 46 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.863 108.2 51.9 -59.4 -34.1 26.2 42.4 43.1 15 140 A R H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.831 106.8 51.0 -72.4 -33.9 28.9 45.1 42.7 16 141 A K H X S+ 0 0 47 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.961 115.5 43.3 -65.9 -51.1 31.4 42.6 41.2 17 142 A Y H X S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.911 115.0 47.2 -59.1 -50.1 28.8 41.5 38.7 18 143 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.889 110.7 54.3 -62.4 -37.7 27.5 44.9 37.9 19 144 A H H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.885 112.2 44.0 -61.3 -39.6 31.1 46.0 37.5 20 145 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.926 113.0 49.5 -72.0 -45.3 31.7 43.2 35.0 21 146 A L H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.923 114.4 45.9 -58.3 -47.5 28.4 43.8 33.1 22 147 A Y H X S+ 0 0 10 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.886 110.8 54.3 -63.7 -42.0 29.3 47.5 32.8 23 148 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.917 106.2 49.9 -59.3 -50.4 32.9 46.8 31.8 24 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.963 110.7 50.7 -54.8 -54.2 32.0 44.5 28.9 25 150 A C H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.3 -1,-0.2 0.870 109.9 49.4 -52.0 -43.7 29.5 47.1 27.5 26 151 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.850 113.1 46.8 -66.1 -35.0 32.1 49.9 27.7 27 152 A M H X S+ 0 0 0 -4,-2.0 4,-1.3 -3,-0.4 -2,-0.2 0.824 112.6 49.4 -76.1 -32.7 34.7 47.7 25.9 28 153 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.915 109.4 53.7 -70.0 -42.1 32.1 46.7 23.3 29 154 A H H X S+ 0 0 3 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.925 108.0 48.7 -57.0 -45.9 31.3 50.4 23.0 30 155 A G H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.822 109.8 53.9 -64.1 -29.7 34.9 51.2 22.3 31 156 A F H X S+ 0 0 2 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.948 111.8 42.2 -67.7 -50.8 35.0 48.4 19.8 32 157 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.887 112.6 53.6 -63.8 -40.8 32.0 49.7 17.8 33 158 A R H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.829 103.9 58.0 -63.5 -30.1 33.3 53.3 18.0 34 159 A N H X S+ 0 0 0 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.2 0.854 105.6 49.3 -68.0 -35.3 36.5 52.0 16.6 35 160 A E H >< S+ 0 0 67 -4,-1.2 3,-1.3 -3,-0.4 -2,-0.2 0.921 107.5 53.4 -68.4 -46.9 34.6 50.8 13.5 36 161 A W H >< S+ 0 0 15 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.907 102.5 59.9 -54.5 -41.4 32.9 54.1 13.1 37 162 A I H 3< S+ 0 0 5 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.774 98.1 59.0 -59.0 -26.0 36.3 55.7 13.1 38 163 A N T << S+ 0 0 41 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.273 76.5 146.5 -86.7 11.8 37.2 53.6 10.0 39 164 A S <> - 0 0 4 -3,-2.1 4,-2.5 1,-0.1 5,-0.1 -0.235 45.4-147.8 -52.1 129.7 34.4 55.1 8.0 40 165 A K H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 99.8 52.8 -65.5 -45.4 35.3 55.5 4.3 41 166 A R H > S+ 0 0 69 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.894 111.6 48.5 -58.0 -39.3 33.1 58.5 4.0 42 167 A L H >> S+ 0 0 0 2,-0.2 4,-2.4 -6,-0.2 3,-0.9 0.958 108.3 51.3 -67.5 -51.0 34.9 60.0 6.9 43 168 A S H 3X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.932 106.2 53.2 -53.6 -52.9 38.5 59.3 5.8 44 169 A R H 3< S+ 0 0 158 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.769 114.0 45.6 -56.1 -24.6 38.1 60.8 2.3 45 170 A K H X< S+ 0 0 94 -3,-0.9 3,-0.6 -4,-0.8 -1,-0.2 0.863 114.3 44.3 -86.6 -38.6 36.8 64.0 4.0 46 171 A L H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.714 98.3 74.1 -78.0 -21.3 39.5 64.3 6.7 47 172 A S G >< S+ 0 0 43 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.813 87.7 64.1 -60.2 -29.0 42.3 63.5 4.3 48 173 A N G < S+ 0 0 145 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.546 90.6 65.6 -72.2 -8.8 41.8 67.0 2.9 49 174 A L G < S+ 0 0 58 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.636 85.3 80.8 -88.8 -14.9 42.9 68.6 6.2 50 175 A V S < S- 0 0 18 -3,-1.0 -1,-0.1 -4,-0.4 5,-0.1 -0.836 75.8-136.2-100.9 112.6 46.5 67.3 6.0 51 176 A P > - 0 0 53 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.099 24.6-113.2 -57.3 161.3 49.0 69.3 3.8 52 177 A E H > S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.837 116.4 55.6 -68.4 -31.4 51.4 67.2 1.6 53 178 A K H > S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 110.0 45.2 -66.0 -44.1 54.4 68.4 3.7 54 179 A V H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.862 106.3 59.6 -67.6 -36.9 52.8 67.1 6.9 55 180 A F H < S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.881 105.4 51.3 -59.0 -36.5 51.8 63.8 5.2 56 181 A E H >< S+ 0 0 102 -4,-1.4 3,-2.2 1,-0.2 -1,-0.2 0.924 104.1 54.3 -66.0 -48.2 55.5 63.2 4.5 57 182 A L H 3< S+ 0 0 43 -4,-1.6 20,-0.3 1,-0.3 -1,-0.2 0.866 103.8 58.0 -54.4 -36.0 56.6 63.8 8.1 58 183 A L T 3< S+ 0 0 10 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.586 113.8 39.4 -71.6 -9.8 54.1 61.2 9.1 59 184 A H S < S- 0 0 64 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.1 -0.520 84.9-177.0-138.0 66.8 55.9 58.7 6.8 60 185 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 10,-0.1 -0.100 27.4-111.8 -62.8 162.4 59.7 59.4 7.1 61 186 A Q - 0 0 122 1,-0.1 2,-0.5 9,-0.0 -2,-0.0 -0.712 44.4 -88.7 -94.7 147.6 62.4 57.6 5.1 62 187 A K - 0 0 95 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.416 41.0-146.6 -58.6 109.9 64.7 55.2 6.9 63 188 A D - 0 0 52 -2,-0.5 6,-0.2 1,-0.2 7,-0.1 -0.713 9.3-164.4 -84.5 101.3 67.6 57.5 8.1 64 189 A E S S+ 0 0 162 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.897 83.3 53.6 -50.4 -49.5 70.6 55.2 7.9 65 190 A E S S- 0 0 157 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.954 129.6 -3.6 -54.3 -59.9 72.8 57.5 10.0 66 191 A L > - 0 0 68 1,-0.1 3,-3.1 0, 0.0 4,-0.4 -0.802 51.2-160.3-145.6 101.8 70.5 57.9 13.0 67 192 A P T >> S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 3,-1.9 0.794 92.1 73.8 -45.7 -31.4 67.0 56.3 13.3 68 193 A L H 3> S+ 0 0 122 1,-0.3 4,-1.1 2,-0.2 129,-0.1 0.760 89.6 57.1 -55.9 -29.0 66.4 58.9 16.0 69 194 A R H <4 S+ 0 0 118 -3,-3.1 4,-0.3 2,-0.2 -1,-0.3 0.562 107.2 46.9 -82.0 -9.6 66.2 61.6 13.4 70 195 A S H <> S+ 0 0 0 -3,-1.9 4,-1.9 -4,-0.4 3,-0.5 0.770 107.2 54.0 -97.1 -38.3 63.3 60.0 11.5 71 196 A T H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.3 5,-0.2 0.902 106.2 58.8 -59.5 -35.4 61.3 59.2 14.6 72 197 A R H X S+ 0 0 147 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.3 0.818 102.6 48.8 -62.6 -35.1 61.7 62.9 15.1 73 198 A K H > S+ 0 0 81 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.855 109.6 53.4 -74.0 -33.6 60.0 63.7 11.8 74 199 A L H X S+ 0 0 8 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.946 111.6 44.7 -62.2 -50.4 57.2 61.4 12.8 75 200 A L H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.815 111.7 54.0 -62.9 -32.1 56.8 63.3 16.1 76 201 A D H X S+ 0 0 53 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.856 109.2 48.8 -71.1 -35.0 57.1 66.5 14.1 77 202 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 -20,-0.3 -2,-0.2 0.943 111.1 48.4 -69.2 -47.8 54.3 65.3 11.9 78 203 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.922 109.6 52.4 -58.7 -44.9 52.0 64.4 14.8 79 204 A K H X S+ 0 0 119 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.921 110.1 50.7 -58.3 -39.7 52.7 67.7 16.4 80 205 A K H X S+ 0 0 91 -4,-1.7 4,-2.2 1,-0.2 3,-0.3 0.935 110.9 46.7 -61.5 -48.6 51.6 69.3 13.1 81 206 A C H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.868 107.9 57.8 -60.8 -39.1 48.4 67.3 12.9 82 207 A M H X S+ 0 0 22 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.868 109.7 45.2 -60.3 -36.6 47.7 68.1 16.6 83 208 A E H X S+ 0 0 82 -4,-1.5 4,-0.7 -3,-0.3 3,-0.3 0.917 111.8 47.1 -75.2 -47.8 47.8 71.8 15.7 84 209 A L H X S+ 0 0 24 -4,-2.2 4,-1.5 1,-0.2 3,-0.3 0.792 108.8 58.5 -66.8 -25.3 45.7 71.8 12.5 85 210 A W H X S+ 0 0 2 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.838 98.4 56.9 -72.7 -33.6 43.1 69.7 14.3 86 211 A Q H < S+ 0 0 79 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.747 109.0 48.7 -67.5 -22.2 42.6 72.3 17.0 87 212 A K H < S+ 0 0 140 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.816 110.5 50.1 -83.8 -35.5 41.8 74.7 14.1 88 213 A H H < S+ 0 0 32 -4,-1.5 2,-1.6 1,-0.2 -2,-0.2 0.838 95.1 75.5 -71.0 -36.6 39.4 72.2 12.6 89 214 A W < + 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 44,-0.1 -0.631 58.9 165.0 -83.2 89.4 37.5 71.6 15.8 90 215 A K + 0 0 148 -2,-1.6 2,-0.5 42,-0.4 -1,-0.2 0.979 59.8 41.3 -68.0 -62.2 35.5 74.8 16.0 91 216 A I E -b 134 0B 82 42,-1.2 44,-1.4 41,-0.2 2,-0.6 -0.820 62.7-172.2 -99.9 126.4 33.0 74.0 18.7 92 217 A T E -b 135 0B 87 -2,-0.5 44,-0.2 42,-0.2 2,-0.2 -0.918 10.2-163.4-117.8 104.8 33.9 72.1 21.8 93 218 A K - 0 0 143 42,-0.8 2,-0.1 -2,-0.6 3,-0.0 -0.483 16.9-123.1 -85.6 155.7 30.9 71.1 24.0 94 219 A K - 0 0 149 42,-0.2 2,-0.3 -2,-0.2 42,-0.1 -0.437 43.2 -83.8 -86.8 169.3 31.2 70.1 27.6 95 220 A Y - 0 0 12 2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.608 32.7-129.5 -76.0 135.8 29.8 66.7 28.7 96 221 A D S S- 0 0 140 -2,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.923 90.5 -23.6 -47.4 -47.6 26.1 66.9 29.4 97 222 A N S S- 0 0 72 -3,-0.0 -2,-0.2 0, 0.0 413,-0.0 0.321 123.1 -28.2-129.4 -99.9 26.9 65.2 32.7 98 223 A E > - 0 0 28 1,-0.3 3,-2.1 412,-0.1 -2,-0.0 0.278 69.4-148.6-113.9 11.7 29.9 63.1 33.5 99 224 A G T 3 - 0 0 19 1,-0.2 -1,-0.3 -5,-0.0 -5,-0.0 -0.312 67.6 -32.8 57.0-136.8 30.7 61.7 30.0 100 225 A L T 3 S+ 0 0 16 2,-0.0 62,-0.4 -74,-0.0 -1,-0.2 0.044 103.7 125.7-104.4 25.6 32.2 58.2 30.4 101 226 A Y S < S- 0 0 1 -3,-2.1 130,-0.2 1,-0.1 -3,-0.1 -0.341 74.8 -73.1 -75.3 164.1 34.0 59.0 33.7 102 227 A M - 0 0 17 128,-3.1 2,-0.2 61,-0.1 -1,-0.1 -0.334 46.6-154.9 -65.6 137.0 33.4 56.8 36.7 103 228 A R - 0 0 15 59,-0.4 62,-0.3 -3,-0.1 2,-0.2 -0.663 18.0-115.2-104.1 163.0 30.0 57.0 38.5 104 229 A T > - 0 0 13 -2,-0.2 4,-2.3 60,-0.1 5,-0.2 -0.539 23.8-112.8 -95.0 165.3 29.4 56.1 42.1 105 230 A W H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.798 119.5 54.1 -67.1 -27.8 27.2 53.3 43.3 106 231 A K H > S+ 0 0 63 67,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.920 109.1 47.2 -70.5 -44.6 24.8 55.9 44.8 107 232 A E H > S+ 0 0 34 66,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.893 112.2 50.0 -61.4 -44.4 24.5 57.7 41.4 108 233 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.9 48.1 -65.1 -35.2 23.9 54.4 39.6 109 234 A E H >< S+ 0 0 70 -4,-1.6 3,-0.7 1,-0.2 4,-0.3 0.868 114.0 46.4 -73.1 -36.5 21.2 53.4 42.0 110 235 A M H >X S+ 0 0 67 -4,-2.2 4,-2.8 1,-0.2 3,-0.6 0.608 83.5 93.6 -81.5 -11.5 19.5 56.8 41.8 111 236 A S T 3< S+ 0 0 11 -4,-1.1 5,-0.3 1,-0.2 -1,-0.2 0.656 86.7 52.6 -57.4 -12.2 19.7 56.9 38.0 112 237 A A T X4 S+ 0 0 37 -3,-0.7 3,-0.5 -4,-0.1 -1,-0.2 0.845 113.4 39.6 -89.7 -38.1 16.2 55.4 38.0 113 238 A N T <4 S+ 0 0 99 -3,-0.6 2,-0.4 -4,-0.3 -2,-0.2 0.763 117.2 50.4 -80.3 -28.8 14.6 58.0 40.4 114 239 A N T 3< S- 0 0 106 -4,-2.8 -1,-0.3 2,-0.0 -2,-0.1 -0.497 91.3-164.0-106.5 58.7 16.5 60.9 38.7 115 240 A K < - 0 0 109 -3,-0.5 2,-0.3 -2,-0.4 -3,-0.1 -0.078 3.7-159.9 -48.1 137.6 15.5 60.0 35.2 116 241 A R - 0 0 82 -5,-0.3 435,-0.4 435,-0.1 2,-0.4 -0.801 11.8-134.3-117.8 160.3 17.4 61.5 32.3 117 242 A K - 0 0 146 -2,-0.3 2,-0.4 433,-0.1 433,-0.2 -0.900 22.0-150.3-112.3 142.0 16.4 61.9 28.7 118 243 A F E -C 549 0C 14 431,-3.1 431,-2.3 -2,-0.4 2,-0.9 -0.956 13.7-128.7-122.7 139.4 19.0 61.0 26.1 119 244 A K E -C 548 0C 156 -2,-0.4 429,-0.2 429,-0.2 -2,-0.0 -0.727 35.8-120.9 -83.4 104.0 19.5 62.4 22.6 120 245 A T - 0 0 40 427,-1.4 2,-0.4 -2,-0.9 -1,-0.0 -0.171 31.7-165.2 -46.0 132.0 19.7 59.4 20.3 121 246 A L - 0 0 42 382,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.976 6.6-173.9-130.4 117.9 23.0 59.4 18.5 122 247 A 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51.7 40.4 14.6 289 416 A K H >> S+ 0 0 120 -2,-0.3 4,-2.3 1,-0.2 3,-1.5 0.918 122.9 58.8 -62.7 -39.7 55.4 41.4 15.0 290 417 A I H 3> S+ 0 0 36 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.893 101.1 54.5 -54.3 -43.2 54.0 44.7 16.4 291 418 A D H 3> S+ 0 0 3 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.681 108.6 49.7 -66.1 -18.1 52.3 42.7 19.1 292 419 A D H X S+ 0 0 126 -4,-1.7 4,-1.1 -5,-0.2 3,-0.6 0.957 107.1 47.8 -62.0 -50.6 57.9 42.6 29.9 300 427 A Q H 3X S+ 0 0 89 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.730 109.3 55.2 -63.3 -22.6 60.6 45.1 30.7 301 428 A R H 3X S+ 0 0 14 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.3 0.791 104.3 53.0 -79.7 -31.2 58.0 47.3 32.5 302 429 A D H << S+ 0 0 30 -4,-1.5 4,-0.4 -3,-0.6 -2,-0.2 0.733 111.9 46.4 -75.6 -20.7 57.1 44.4 34.8 303 430 A E H < S+ 0 0 113 -4,-1.1 3,-0.3 -5,-0.1 -2,-0.2 0.849 114.1 48.3 -84.7 -38.7 60.8 44.0 35.6 304 431 A S H < S+ 0 0 91 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.735 88.6 80.5 -74.0 -27.8 61.2 47.7 36.2 305 432 A E S < S- 0 0 21 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.1 0.916 81.3-170.7 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50.1 40.7 49.8 316 443 A N T 3 S+ 0 0 143 -2,-0.6 -1,-0.3 1,-0.2 5,-0.1 0.875 92.3 166.8 53.6 41.9 49.2 38.4 46.9 317 444 A H < - 0 0 4 -3,-0.7 -1,-0.2 3,-0.5 -59,-0.1 -0.571 41.7-124.9 -81.7 149.4 51.4 40.3 44.6 318 445 A P S S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.718 100.2 20.6 -70.0 -24.6 52.1 38.5 41.2 319 446 A Y S S+ 0 0 100 1,-0.1 38,-2.0 -62,-0.1 39,-0.4 0.568 118.0 50.3-122.7 -11.8 55.9 38.5 41.3 320 447 A Y E -I 356 0E 32 36,-0.3 -3,-0.5 37,-0.1 2,-0.3 -0.935 51.9-171.9-131.3 154.3 57.0 39.0 45.0 321 448 A V E -I 355 0E 15 34,-2.6 34,-3.1 -2,-0.3 2,-0.4 -0.959 25.8-120.4-138.9 153.7 56.2 37.4 48.3 322 449 A L E >> -I 354 0E 0 -8,-0.3 3,-1.9 -2,-0.3 4,-0.6 -0.761 32.2-114.6 -93.1 143.0 57.1 38.3 51.9 323 450 A E G >4 S+ 0 0 87 30,-2.3 3,-1.1 -2,-0.4 -1,-0.1 0.841 116.7 56.0 -45.1 -38.6 59.0 35.6 53.8 324 451 A Q G 34 S+ 0 0 109 1,-0.2 -1,-0.3 29,-0.2 28,-0.0 0.793 103.9 53.1 -67.1 -28.1 56.1 35.3 56.2 325 452 A D G <4 S+ 0 0 57 -3,-1.9 2,-0.5 2,-0.1 -1,-0.2 0.456 77.0 114.0 -87.2 -2.0 53.7 34.6 53.4 326 453 A I S << S- 0 0 31 -3,-1.1 4,-0.1 -4,-0.6 6,-0.1 -0.613 74.9-118.3 -70.1 118.5 55.7 31.7 51.9 327 454 A K > - 0 0 123 -2,-0.5 3,-1.6 1,-0.1 -1,-0.1 -0.073 10.9-116.0 -59.8 159.4 53.5 28.7 52.6 328 455 A Q T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.688 117.5 59.1 -68.2 -18.4 54.5 25.8 54.8 329 456 A T T 3 S+ 0 0 50 56,-0.0 34,-3.2 2,-0.0 -1,-0.3 0.123 102.1 70.3 -96.8 19.0 54.4 23.7 51.6 330 457 A Q E < -K 362 0F 34 -3,-1.6 2,-0.3 32,-0.2 32,-0.2 -0.876 55.5-175.1-132.4 164.8 57.0 25.8 49.9 331 458 A I E -K 361 0F 39 30,-1.6 30,-3.1 -2,-0.3 2,-0.3 -0.985 37.1 -91.9-156.7 156.1 60.7 26.5 50.2 332 459 A V E -K 360 0F 48 -2,-0.3 28,-0.2 28,-0.2 3,-0.1 -0.532 48.2-114.4 -72.8 131.5 63.3 28.8 48.7 333 460 A K > - 0 0 88 26,-2.8 3,-1.3 -2,-0.3 -1,-0.1 -0.327 41.3 -92.0 -64.0 148.7 65.0 27.2 45.8 334 461 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.377 112.1 26.3 -64.5 139.3 68.7 26.4 46.3 335 462 A G T 3 S+ 0 0 91 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 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X E H > S+ 0 0 116 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.910 113.2 41.1 -66.8 -43.6 1.8 48.5 34.8 557 357 X D H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.868 110.7 56.8 -73.2 -40.1 5.1 47.7 36.6 558 358 X D H X S+ 0 0 56 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.934 110.6 44.4 -56.1 -50.0 5.7 51.2 38.0 559 359 X Q H X S+ 0 0 110 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.899 114.9 47.6 -64.4 -41.9 2.4 51.2 39.7 560 360 X A H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.928 111.5 51.4 -65.2 -46.0 2.7 47.7 41.1 561 361 X I H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.917 113.8 42.8 -57.7 -45.8 6.3 48.4 42.3 562 362 X S H X S+ 0 0 57 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.809 108.8 59.5 -71.9 -29.2 5.2 51.6 44.2 563 363 X R H < S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.873 108.3 45.7 -65.3 -36.2 2.1 49.8 45.5 564 364 X L H >< S+ 0 0 4 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.839 106.5 59.5 -74.5 -34.9 4.5 47.3 47.1 565 365 X C H >X S+ 0 0 24 -4,-1.6 3,-2.3 1,-0.3 4,-1.4 0.853 92.1 66.1 -63.3 -34.8 6.7 50.1 48.5 566 366 X E T 3< S+ 0 0 150 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.576 86.3 72.1 -65.1 -6.2 3.8 51.6 50.4 567 367 X L T <4 S- 0 0 78 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.331 129.0 -95.3 -86.2 5.4 4.0 48.4 52.5 568 368 X G T <4 S+ 0 0 64 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.946 77.9 136.4 82.8 54.7 7.2 49.9 53.8 569 369 X F < - 0 0 48 -4,-1.4 -1,-0.2 -5,-0.1 2,-0.2 -0.952 60.6 -97.0-133.0 153.4 10.0 48.5 51.7 570 370 X E >> - 0 0 137 -2,-0.3 4,-2.4 1,-0.1 3,-1.3 -0.473 32.5-134.5 -65.4 129.7 13.2 49.8 50.0 571 371 X R H 3> S+ 0 0 70 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.865 105.0 55.6 -55.7 -39.5 12.4 50.5 46.4 572 372 X D H 3> S+ 0 0 77 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.760 110.9 46.5 -66.6 -22.4 15.6 48.8 45.2 573 373 X L H X> S+ 0 0 64 -3,-1.3 4,-2.0 2,-0.2 3,-0.7 0.948 110.9 49.8 -79.9 -56.8 14.5 45.7 47.1 574 374 X V H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.825 108.3 54.0 -49.7 -39.7 10.9 45.6 45.8 575 375 X I H 3X S+ 0 0 18 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.3 0.883 108.9 50.4 -65.2 -37.7 12.1 46.0 42.2 576 376 X Q H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 3,-0.6 0.863 110.7 61.5 -62.1 -38.7 11.8 40.6 44.1 578 378 X Y H 3<>S+ 0 0 6 -4,-2.4 5,-1.6 -5,-0.3 6,-0.6 0.927 110.5 38.9 -54.7 -49.9 9.0 41.9 41.9 579 379 X F H 3<5S+ 0 0 13 -4,-1.5 3,-0.5 1,-0.2 -1,-0.3 0.580 113.3 57.6 -78.4 -9.2 10.8 40.9 38.7 580 380 X A H <<5S+ 0 0 69 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.794 100.0 57.0 -86.7 -32.4 12.0 37.7 40.4 581 381 X C T ><5S- 0 0 27 -4,-2.3 3,-0.7 -5,-0.1 -1,-0.2 -0.061 126.4-102.7 -86.4 31.7 8.4 36.6 41.1 582 382 X D T 3 5S- 0 0 139 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.906 77.0 -54.6 44.3 49.5 7.8 36.8 37.4 583 383 X K T 3 - 0 0 62 -3,-0.7 4,-2.3 -6,-0.6 -1,-0.2 -0.895 31.6-162.3-107.5 111.8 3.6 38.8 40.7 585 385 X E H > S+ 0 0 55 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.905 89.5 41.2 -56.0 -52.1 2.4 41.4 43.2 586 386 X E H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 115.8 50.2 -67.4 -38.1 1.1 39.0 45.9 587 387 X A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 111.1 51.0 -68.1 -34.5 4.0 36.6 45.5 588 388 X A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.868 105.9 53.9 -70.1 -39.4 6.4 39.6 45.8 589 389 X A H X S+ 0 0 16 -4,-1.9 4,-3.0 2,-0.2 3,-0.2 0.952 110.7 47.0 -59.3 -50.7 4.7 40.9 49.0 590 390 X N H <>S+ 0 0 89 -4,-1.8 5,-1.1 1,-0.2 4,-0.3 0.928 109.3 52.0 -57.2 -50.6 5.1 37.5 50.7 591 391 X I H <5S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.4 48.2 -57.8 -30.1 8.8 37.1 49.6 592 392 X L H <5S+ 0 0 16 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.967 122.2 30.1 -74.4 -55.6 9.3 40.6 51.1 593 393 X F T <5S+ 0 0 120 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.1 0.965 134.8 21.9 -65.2 -87.7 7.5 40.0 54.4 594 394 X S T 5 0 0 95 -4,-0.3 -3,-0.2 -5,-0.1 -4,-0.1 0.941 360.0 360.0 -45.0 -72.6 8.0 36.3 55.2 595 395 X D < 0 0 129 -5,-1.1 0, 0.0 0, 0.0 0, 0.0 0.064 360.0 360.0 -57.0 360.0 11.1 35.6 53.1