==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-12 4I1A . COMPND 2 MOLECULE: RESPONSE REGULATOR ASPARTATE PHOSPHATASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR V.PARASHAR,P.D.JEFFREY,M.B.NEIDITCH . 633 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 88.3 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 . 0 0.0 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 . 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 . 28 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.8 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 0 0 0 0 0 0 0 1 2 2 5 5 2 9 4 1 1 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 101 A L > 0 0 184 0, 0.0 4,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.4 58.3 23.4 42.2 2 102 A E H > + 0 0 101 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.898 360.0 47.8 -72.8 -44.4 55.4 24.6 44.3 3 103 A Y H > S+ 0 0 17 29,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.914 108.8 57.6 -58.5 -43.6 52.9 24.7 41.5 4 104 A Y H > S+ 0 0 70 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.894 104.9 50.3 -55.2 -43.8 54.1 21.3 40.4 5 105 A F H X S+ 0 0 119 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.966 113.9 42.5 -61.7 -54.0 53.3 19.8 43.8 6 106 A Y H X S+ 0 0 58 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.849 116.1 52.2 -59.7 -34.9 49.7 21.2 43.8 7 107 A F H X S+ 0 0 4 -4,-2.8 4,-1.9 2,-0.2 3,-0.5 0.979 111.3 43.5 -64.6 -58.0 49.4 20.2 40.1 8 108 A F H X S+ 0 0 115 -4,-3.1 4,-2.4 1,-0.3 -2,-0.2 0.894 111.2 56.8 -55.5 -42.6 50.5 16.6 40.6 9 109 A K H X S+ 0 0 79 -4,-2.7 4,-3.1 -5,-0.3 -1,-0.3 0.868 105.1 52.0 -55.8 -40.6 48.3 16.5 43.7 10 110 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.5 -1,-0.2 0.925 111.6 44.2 -63.4 -47.4 45.3 17.5 41.6 11 111 A M H X S+ 0 0 65 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.833 113.2 55.7 -62.1 -34.9 45.9 14.7 39.1 12 112 A Y H X S+ 0 0 124 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.955 108.9 43.2 -62.0 -53.9 46.5 12.5 42.1 13 113 A E H <>S+ 0 0 24 -4,-3.1 5,-2.8 1,-0.2 -1,-0.2 0.786 110.2 57.3 -66.4 -28.0 43.1 13.2 43.7 14 114 A F H ><5S+ 0 0 28 -4,-1.8 3,-1.1 3,-0.2 -1,-0.2 0.886 102.1 56.7 -68.5 -37.2 41.4 12.9 40.3 15 115 A R H 3<5S+ 0 0 184 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.930 111.2 40.9 -57.5 -48.7 42.9 9.4 40.0 16 116 A R T 3<5S- 0 0 135 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.350 118.4-119.8 -82.3 6.9 41.2 8.4 43.3 17 117 A K T < 5 + 0 0 75 -3,-1.1 2,-1.5 1,-0.2 -3,-0.2 0.719 63.2 148.3 61.1 26.0 38.2 10.3 42.0 18 118 A E >< + 0 0 94 -5,-2.8 4,-2.2 1,-0.2 -1,-0.2 -0.704 22.6 177.8 -82.1 84.2 38.2 12.8 44.9 19 119 A L H > S+ 0 0 36 -2,-1.5 4,-2.2 1,-0.2 5,-0.2 0.835 70.6 52.2 -66.1 -39.2 36.8 15.4 42.5 20 120 A I H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 112.0 47.3 -61.9 -44.1 36.4 18.3 45.1 21 121 A S H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.908 110.4 52.7 -65.7 -42.8 40.0 17.8 46.2 22 122 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.946 113.2 41.2 -58.5 -54.0 41.4 17.7 42.7 23 123 A I H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.861 113.7 55.6 -65.9 -33.1 39.7 21.0 41.6 24 124 A S H X S+ 0 0 43 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.928 110.9 43.6 -61.3 -46.1 40.6 22.5 45.0 25 125 A A H >X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 3,-0.6 0.894 112.6 52.3 -68.3 -41.8 44.3 21.7 44.4 26 126 A Y H 3X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.851 100.6 64.0 -58.1 -36.9 44.1 22.9 40.8 27 127 A R H 3< S+ 0 0 16 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.824 110.2 36.7 -62.9 -31.4 42.6 26.2 42.0 28 128 A I H 4 S+ 0 0 47 -4,-0.5 3,-0.8 1,-0.2 -2,-0.2 0.863 112.0 46.5 -75.6 -36.2 47.3 30.8 41.4 32 132 A K G >< S+ 0 0 74 -4,-2.3 3,-0.7 1,-0.2 -29,-0.3 0.256 88.9 88.5 -88.4 11.1 50.9 29.7 41.7 33 133 A L G > + 0 0 18 -3,-0.5 3,-0.8 1,-0.2 -1,-0.2 0.408 60.5 93.2 -83.1 -0.9 51.0 29.4 37.9 34 134 A S G < S+ 0 0 105 -3,-0.8 2,-0.7 1,-0.3 -1,-0.2 0.866 84.2 51.7 -57.5 -36.4 52.0 33.1 38.0 35 135 A E G < S+ 0 0 175 -3,-0.7 2,-0.4 -4,-0.1 -1,-0.3 -0.457 83.9 136.5 -99.9 57.6 55.6 31.7 37.9 36 136 A V < - 0 0 37 -3,-0.8 -3,-0.1 -2,-0.7 3,-0.0 -0.841 32.4-171.1-107.4 143.7 55.1 29.5 34.9 37 137 A E + 0 0 164 -2,-0.4 -1,-0.2 1,-0.1 5,-0.0 0.855 59.2 49.1 -95.2 -86.6 57.6 29.3 32.0 38 138 A D >> - 0 0 76 1,-0.1 4,-1.0 2,-0.0 3,-0.6 -0.201 69.8-132.9 -64.4 146.9 56.7 27.5 28.9 39 139 A E H 3> S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.747 106.3 55.8 -67.2 -23.7 53.3 28.1 27.2 40 140 A I H 3> S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.597 96.5 58.1 -93.8 -12.7 52.8 24.4 27.0 41 141 A E H <> S+ 0 0 47 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.785 110.7 47.5 -78.7 -30.1 53.2 23.5 30.7 42 142 A K H X S+ 0 0 58 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.906 111.4 50.1 -65.1 -47.0 50.3 26.0 31.1 43 143 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.927 109.0 51.2 -60.6 -44.9 48.5 24.3 28.3 44 144 A E H X S+ 0 0 59 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.898 112.2 48.6 -56.9 -40.6 49.1 20.9 29.9 45 145 A F H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.924 110.1 49.0 -65.7 -48.9 47.6 22.4 33.1 46 146 A F H X S+ 0 0 7 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.879 107.9 56.1 -58.9 -39.9 44.5 23.8 31.4 47 147 A F H X S+ 0 0 30 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.945 107.7 47.4 -58.7 -49.8 43.8 20.5 29.7 48 148 A K H X S+ 0 0 79 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.905 112.1 50.3 -58.4 -43.9 43.8 18.7 33.0 49 149 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.912 108.8 50.9 -62.3 -43.9 41.5 21.3 34.6 50 150 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.877 108.9 55.3 -60.4 -35.4 39.0 21.1 31.7 51 151 A Y H X S+ 0 0 101 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.906 106.7 45.0 -68.2 -46.7 39.0 17.4 32.1 52 152 A V H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.932 115.1 50.8 -63.1 -40.9 38.0 17.2 35.8 53 153 A Y H <>S+ 0 0 3 -4,-2.1 5,-2.6 1,-0.2 -2,-0.2 0.887 107.9 52.3 -59.8 -40.8 35.4 19.9 35.0 54 154 A Y H ><5S+ 0 0 63 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.818 106.3 54.8 -63.4 -32.1 34.2 17.7 32.1 55 155 A Y H 3<5S+ 0 0 121 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.3 44.5 -69.9 -37.1 33.9 14.8 34.5 56 156 A M T 3<5S- 0 0 62 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.284 113.6-119.6 -90.5 10.3 31.6 16.8 36.8 57 157 A K T < 5 + 0 0 108 -3,-0.8 2,-1.9 1,-0.2 -3,-0.2 0.783 59.8 153.5 54.3 29.9 29.6 18.1 33.8 58 158 A Q >< + 0 0 35 -5,-2.6 4,-2.6 1,-0.2 3,-0.3 -0.590 20.2 178.5 -80.5 72.8 30.6 21.7 34.7 59 159 A T H > + 0 0 34 -2,-1.9 4,-2.1 1,-0.2 5,-0.2 0.803 69.5 51.0 -52.7 -42.8 30.1 22.4 31.0 60 160 A Y H > S+ 0 0 122 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.940 115.0 41.0 -64.2 -48.8 30.9 26.1 31.2 61 161 A F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.898 114.2 52.4 -66.6 -42.5 34.2 25.7 33.1 62 162 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.949 110.2 46.7 -60.1 -50.6 35.4 22.7 31.1 63 163 A M H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.802 111.7 53.1 -66.2 -28.6 34.9 24.4 27.7 64 164 A N H X S+ 0 0 52 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.960 113.4 40.8 -67.9 -51.2 36.6 27.5 29.0 65 165 A Y H X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.806 114.3 54.6 -69.2 -28.0 39.7 25.7 30.2 66 166 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.948 107.5 48.5 -69.5 -50.0 39.7 23.4 27.1 67 167 A N H X S+ 0 0 70 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.875 108.3 54.2 -57.3 -40.6 39.7 26.4 24.7 68 168 A R H X S+ 0 0 134 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.899 113.7 42.2 -62.7 -41.6 42.6 28.1 26.5 69 169 A A H >X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 3,-0.7 0.905 115.5 51.5 -67.1 -44.1 44.6 24.9 26.2 70 170 A L H 3X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.940 102.2 56.9 -58.0 -52.7 43.5 24.5 22.6 71 171 A K H 3< S+ 0 0 146 -4,-3.4 4,-0.3 1,-0.2 -1,-0.2 0.691 116.3 39.2 -57.4 -18.6 44.3 28.0 21.4 72 172 A I H XX S+ 0 0 19 -3,-0.7 3,-0.9 -4,-0.5 4,-0.9 0.856 111.5 53.7 -94.3 -48.4 47.9 27.3 22.5 73 173 A F H 3< S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.2 10,-0.2 0.820 96.4 69.4 -57.4 -35.4 48.3 23.6 21.4 74 174 A R T 3< S+ 0 0 125 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.861 98.5 50.1 -50.6 -43.9 47.3 24.4 17.8 75 175 A E T <4 S+ 0 0 125 -3,-0.9 2,-0.9 -4,-0.3 -1,-0.2 0.990 91.8 73.6 -61.9 -68.6 50.5 26.4 17.2 76 176 A Y S >< S- 0 0 69 -4,-0.9 3,-2.4 1,-0.2 -1,-0.1 -0.314 70.3-161.5 -51.7 94.3 53.1 23.9 18.4 77 177 A E G > S+ 0 0 164 -2,-0.9 3,-0.5 1,-0.3 -1,-0.2 0.528 83.3 69.8 -64.3 -5.7 52.9 21.5 15.5 78 178 A E G 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.491 90.8 64.4 -84.4 -5.0 54.6 18.8 17.6 79 179 A Y G <> + 0 0 59 -3,-2.4 4,-2.3 -6,-0.3 3,-0.4 -0.004 53.9 132.5-115.1 31.2 51.5 18.6 19.7 80 180 A A H <> S+ 0 0 16 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.876 74.9 54.7 -43.6 -50.8 48.8 17.3 17.3 81 181 A V H > S+ 0 0 39 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.906 109.6 45.6 -52.4 -49.1 47.7 14.6 19.9 82 182 A Q H > S+ 0 0 56 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.885 112.5 52.7 -64.8 -38.0 47.1 17.3 22.6 83 183 A T H X S+ 0 0 5 -4,-2.3 4,-2.3 -10,-0.2 -2,-0.2 0.945 110.0 46.7 -61.0 -51.1 45.3 19.5 20.1 84 184 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.915 112.6 50.3 -57.3 -46.3 42.9 16.7 19.0 85 185 A R H X S+ 0 0 129 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.898 108.2 52.1 -62.5 -42.2 42.2 15.8 22.6 86 186 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.929 109.6 50.6 -57.3 -47.1 41.4 19.4 23.5 87 187 A Q H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.837 105.6 56.1 -58.8 -36.3 39.0 19.5 20.6 88 188 A F H X S+ 0 0 29 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.900 107.6 49.1 -62.8 -40.7 37.4 16.2 21.9 89 189 A I H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.944 111.8 48.0 -63.3 -47.6 36.8 18.0 25.2 90 190 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.962 116.6 43.4 -55.0 -53.4 35.2 21.0 23.5 91 191 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.831 111.2 54.1 -63.6 -38.3 33.0 18.8 21.4 92 192 A G H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.901 110.2 47.9 -60.7 -42.8 32.1 16.5 24.3 93 193 A N H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.912 110.3 51.4 -63.5 -42.6 31.0 19.6 26.2 94 194 A L H <>S+ 0 0 22 -4,-2.3 5,-3.1 2,-0.2 3,-0.4 0.870 107.6 53.6 -60.8 -39.1 29.0 20.7 23.1 95 195 A I H ><5S+ 0 0 34 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.928 104.6 54.2 -60.4 -46.1 27.4 17.3 23.0 96 196 A D H 3<5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.741 109.5 48.8 -60.1 -22.8 26.3 17.7 26.7 97 197 A S T 3<5S- 0 0 20 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.249 116.8-116.4 -96.9 9.1 24.7 20.9 25.6 98 198 A L T < 5S+ 0 0 37 -3,-2.2 2,-1.1 1,-0.2 3,-0.2 0.748 71.7 139.4 59.3 25.8 22.9 19.2 22.7 99 199 A E >< + 0 0 43 -5,-3.1 4,-2.1 1,-0.2 3,-0.2 -0.530 16.0 157.2 -92.5 66.1 24.9 21.4 20.3 100 200 A Y H > + 0 0 41 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.788 66.3 55.2 -68.5 -29.6 25.5 18.5 17.9 101 201 A E H > S+ 0 0 129 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.897 111.6 44.1 -67.7 -40.7 26.1 20.7 14.8 102 202 A R H > S+ 0 0 144 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.868 112.2 52.8 -73.0 -35.8 28.9 22.6 16.6 103 203 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.859 105.3 55.1 -66.4 -37.9 30.3 19.4 18.0 104 204 A L H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.894 104.6 53.7 -60.7 -40.2 30.4 17.9 14.5 105 205 A E H X S+ 0 0 110 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.923 110.4 47.7 -61.1 -43.1 32.5 20.9 13.3 106 206 A Q H X S+ 0 0 30 -4,-1.7 4,-2.1 1,-0.2 3,-0.4 0.960 112.6 46.8 -59.9 -53.3 35.0 20.2 16.1 107 207 A F H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.827 107.7 57.9 -61.2 -33.8 35.2 16.5 15.3 108 208 A L H X S+ 0 0 58 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.881 107.0 48.0 -63.8 -37.0 35.6 17.3 11.6 109 209 A K H X S+ 0 0 78 -4,-1.6 4,-2.1 -3,-0.4 5,-0.2 0.915 108.7 54.8 -66.8 -41.2 38.7 19.4 12.5 110 210 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.898 105.4 52.7 -58.5 -41.9 40.0 16.6 14.6 111 211 A L H X S+ 0 0 12 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.877 107.6 51.5 -61.1 -41.5 39.7 14.1 11.7 112 212 A E H X S+ 0 0 128 -4,-1.5 4,-2.5 2,-0.2 3,-0.3 0.947 113.8 43.0 -62.4 -48.4 41.7 16.5 9.5 113 213 A I H < S+ 0 0 51 -4,-2.1 4,-0.5 1,-0.2 6,-0.2 0.887 112.0 53.5 -66.7 -39.4 44.6 16.8 12.0 114 214 A S H <>S+ 0 0 1 -4,-2.7 5,-1.5 -5,-0.2 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109.6 51.0 -60.6 -42.5 16.3 8.9 35.7 268 368 A R H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.930 108.8 51.4 -59.6 -47.6 16.7 12.7 35.3 269 369 A R H X S+ 0 0 82 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.887 107.7 53.1 -57.2 -38.9 15.7 13.2 38.9 270 370 A K H X S+ 0 0 72 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.849 106.5 52.9 -68.0 -32.8 18.3 10.7 40.0 271 371 A I H >< S+ 0 0 77 -4,-1.8 3,-1.2 -3,-0.2 -2,-0.2 0.957 110.1 46.3 -64.8 -51.3 21.0 12.6 38.1 272 372 A K H 3< S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 111.8 53.4 -57.7 -33.3 20.1 15.9 39.8 273 373 A K H 3< 0 0 110 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.663 360.0 360.0 -74.9 -15.3 20.0 14.0 43.2 274 374 A G << 0 0 88 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 -0.580 360.0 360.0 70.4 360.0 23.5 12.6 42.5 275 !* 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 0.0 276 14 B D > 0 0 135 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -67.1 41.6 61.1 58.5 277 15 B L H > + 0 0 113 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.885 360.0 49.9 -63.4 -40.4 38.4 63.1 58.3 278 16 B V H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 109.6 52.2 -60.1 -44.3 38.3 62.4 54.6 279 17 B T H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.882 107.6 51.1 -60.1 -39.6 38.9 58.8 55.5 280 18 B K H X S+ 0 0 118 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.905 110.0 49.1 -65.8 -40.0 35.9 58.9 57.9 281 19 B K H X S+ 0 0 48 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.895 109.8 52.7 -64.3 -39.7 33.7 60.4 55.2 282 20 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.850 105.5 55.2 -64.2 -35.3 34.9 57.6 52.8 283 21 B N H X S+ 0 0 71 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.906 108.2 46.9 -64.4 -42.2 33.9 55.0 55.4 284 22 B E H X S+ 0 0 93 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.858 110.1 53.5 -68.9 -38.0 30.3 56.2 55.6 285 23 B W H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.928 108.9 49.7 -60.7 -46.0 30.1 56.3 51.9 286 24 B Y H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.901 110.7 50.7 -58.2 -42.0 31.2 52.7 51.8 287 25 B T H X S+ 0 0 71 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.913 106.5 52.3 -65.6 -44.5 28.6 51.8 54.4 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4,-2.2 1,-0.2 -2,-0.2 0.855 109.4 51.6 -60.3 -37.9 5.2 24.8 52.4 490 232 B I H X S+ 0 0 28 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.910 110.8 47.6 -66.8 -41.4 7.0 24.4 49.1 491 233 B C H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.950 112.2 48.4 -63.8 -50.9 9.2 21.6 50.6 492 234 B Y H <>S+ 0 0 30 -4,-2.9 5,-1.9 1,-0.2 -2,-0.2 0.905 109.1 55.7 -55.1 -42.0 6.3 19.8 52.1 493 235 B D H ><5S+ 0 0 15 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.908 108.6 45.8 -54.7 -46.4 4.5 20.2 48.7 494 236 B E H 3<5S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 109.6 55.1 -70.8 -23.7 7.5 18.4 47.0 495 237 B L T 3<5S- 0 0 40 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.323 113.5-123.0 -87.4 6.1 7.4 15.7 49.7 496 238 B K T < 5S+ 0 0 140 -3,-1.3 2,-1.4 1,-0.2 -3,-0.2 0.578 71.0 134.9 59.3 12.9 3.7 15.2 48.9 497 239 B E >< + 0 0 76 -5,-1.9 4,-1.3 -6,-0.2 -1,-0.2 -0.679 30.2 175.1 -86.6 85.3 2.8 16.0 52.5 498 240 B Y H > + 0 0 49 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.720 63.5 54.7 -75.0 -27.8 -0.1 18.2 51.5 499 241 B K H > S+ 0 0 152 2,-0.2 4,-2.4 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0.909 110.8 53.4 -72.8 -45.2 -2.4 23.8 43.6 530 272 B V H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.892 112.6 45.0 -55.4 -43.3 -1.8 22.1 47.0 531 273 B E H ><>S+ 0 0 15 -4,-2.4 5,-2.3 2,-0.2 3,-0.7 0.851 112.1 52.4 -70.1 -35.1 -5.5 22.2 47.8 532 274 B A H ><5S+ 0 0 2 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.915 103.4 57.1 -64.9 -43.3 -6.3 21.0 44.2 533 275 B K T 3<5S+ 0 0 47 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.610 105.7 52.9 -62.6 -12.3 -4.0 18.1 44.7 534 276 B Q T < 5S- 0 0 37 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.262 116.2-114.0-103.3 9.1 -6.1 17.1 47.7 535 277 B Q T < 5S+ 0 0 134 -3,-2.2 2,-1.6 1,-0.2 3,-0.2 0.691 74.1 139.8 58.0 21.0 -9.3 17.1 45.8 536 278 B N >< + 0 0 68 -5,-2.3 4,-2.6 1,-0.2 -1,-0.2 -0.515 19.3 158.5 -88.1 68.3 -10.3 20.1 48.0 537 279 B Y H > + 0 0 93 -2,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.852 63.3 50.6 -68.6 -41.8 -11.8 21.8 45.0 538 280 B N H > S+ 0 0 144 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.909 116.0 43.5 -63.2 -41.0 -14.2 24.3 46.7 539 281 B V H >> S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 3,-0.9 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85.8 34.0 31.1 -64.5 3.8 34.7 34.5 559 301 B Y H 3> S+ 0 0 35 -2,-2.5 4,-2.6 -3,-0.5 -1,-0.3 0.746 113.6 58.6 -85.0 -23.9 1.2 33.9 37.2 560 302 B S H <> S+ 0 0 15 -3,-2.4 4,-1.4 -9,-0.3 -1,-0.2 0.917 112.4 43.0 -63.6 -42.8 -1.7 34.9 35.1 561 303 B A H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.912 113.6 51.0 -66.7 -43.0 -0.4 32.2 32.8 562 304 B K H X S+ 0 0 6 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.861 109.3 50.1 -65.4 -36.0 0.3 29.8 35.7 563 305 B F H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.838 103.8 60.7 -69.2 -30.5 -3.3 30.3 37.0 564 306 B K H X S+ 0 0 55 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.745 100.4 54.7 -68.3 -24.0 -4.5 29.5 33.5 565 307 B I H X S+ 0 0 3 -4,-0.9 4,-1.7 -3,-0.4 -1,-0.2 0.941 109.9 46.0 -70.3 -47.7 -2.9 26.1 33.7 566 308 B L H X>S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-1.0 0.870 110.9 54.6 -58.8 -39.5 -4.8 25.5 36.9 567 309 B E H X5S+ 0 0 39 -4,-2.4 4,-0.8 1,-0.2 7,-0.3 0.960 110.6 43.0 -61.6 -52.6 -8.0 26.8 35.3 568 310 B G H <5S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 119.3 46.9 -62.6 -29.0 -7.8 24.4 32.3 569 311 B L H <5S- 0 0 11 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.900 135.6 -4.3 -79.4 -44.3 -6.9 21.5 34.7 570 312 B F H <5S+ 0 0 33 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.1 0.704 124.0 52.4-126.0 -33.1 -9.5 22.0 37.5 571 313 B F S < + 0 0 96 -8,-0.2 3,-1.8 1,-0.2 4,-0.5 -0.451 4.5 167.6 -73.3 71.5 -10.9 23.6 28.6 576 318 B T T >> + 0 0 44 -2,-2.6 4,-1.6 1,-0.3 3,-0.6 0.690 63.8 76.0 -65.9 -16.2 -7.5 22.0 28.1 577 319 B Q H 3> S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.808 86.6 62.9 -62.8 -29.6 -6.7 24.6 25.4 578 320 B L H <> S+ 0 0 29 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.873 102.1 50.0 -59.9 -38.9 -6.1 27.0 28.3 579 321 B I H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.5 -2,-0.2 0.935 109.1 51.4 -64.9 -46.6 -3.2 24.8 29.4 580 322 B K H X S+ 0 0 67 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.898 111.9 45.0 -60.1 -44.7 -1.7 24.8 25.9 581 323 B N H X S+ 0 0 86 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.797 109.2 56.5 -71.3 -30.4 -1.8 28.6 25.5 582 324 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.935 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27.0 27.9 633 375 B E < + 0 0 77 -5,-2.1 2,-0.2 2,-0.0 -4,-0.2 0.463 30.0 112.9-100.3 -1.8 18.3 29.0 26.7 634 376 B I 0 0 76 -6,-0.2 -43,-0.1 -5,-0.2 -44,-0.1 -0.485 360.0 360.0 -67.5 134.8 16.8 30.0 30.1 635 377 B I 0 0 169 -45,-0.6 -43,-0.1 -46,-0.3 -2,-0.0 -0.803 360.0 360.0-123.6 360.0 16.8 33.7 30.9