==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 25-APR-02 1LKV . COMPND 2 MOLECULE: FLAGELLAR MOTOR SWITCH PROTEIN FLIG; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR P.N.BROWN,C.P.HILL,D.F.BLAIR . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 75.1 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 . 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 4 1 1 1 1 0 1 0 0 1 0 0 1 0 1 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 1 115 X D 0 0 196 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.0 77.6 1.7 150.5 2 116 X P > + 0 0 65 0, 0.0 3,-2.1 0, 0.0 2,-0.2 0.803 360.0 119.0 -68.4 -30.2 73.9 0.7 150.1 3 117 X V T 3> + 0 0 80 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.315 56.3 70.0 -5.7 -42.1 73.4 1.2 154.0 4 118 X Q H 3> S+ 0 0 175 -3,-0.4 4,-1.1 1,-0.3 -1,-0.3 0.783 98.2 56.2 -59.9 -27.0 70.7 4.0 153.8 5 119 X L H <> S+ 0 0 67 -3,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.863 101.9 54.7 -64.6 -46.3 68.4 1.2 152.5 6 120 X V H > S+ 0 0 16 -3,-0.5 4,-3.0 1,-0.2 -2,-0.2 0.931 108.1 46.9 -61.0 -47.3 69.0 -1.0 155.5 7 121 X N H X S+ 0 0 82 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.801 108.9 56.1 -64.3 -33.9 67.9 1.7 158.0 8 122 X F H < S+ 0 0 138 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 119.0 32.9 -61.7 -45.3 64.8 2.5 156.0 9 123 X L H >< S+ 0 0 2 -4,-1.8 3,-2.4 1,-0.2 -2,-0.2 0.820 101.1 79.8 -84.3 -32.1 63.8 -1.2 156.2 10 124 X Q H 3< S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.1 0.723 96.6 44.2 -43.5 -40.7 65.2 -2.0 159.7 11 125 X S T 3< S+ 0 0 91 -4,-0.7 -1,-0.3 -3,-0.2 2,-0.2 0.200 96.5 98.4-101.1 15.7 62.4 -0.5 161.6 12 126 X E S < S- 0 0 83 -3,-2.4 -3,-0.1 1,-0.1 -4,-0.0 -0.534 77.6-102.6 -98.0 169.4 59.6 -2.0 159.4 13 127 X H >> - 0 0 146 -2,-0.2 4,-1.9 1,-0.1 3,-0.7 -0.626 38.8-106.7 -83.3 147.3 57.4 -5.0 159.9 14 128 X P H 3> S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.760 116.4 52.2 -43.6 -40.1 58.2 -8.2 157.9 15 129 X Q H 3> S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.880 110.7 48.0 -72.0 -34.1 55.2 -7.9 155.4 16 130 X T H <> S+ 0 0 71 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.847 113.2 48.3 -70.8 -33.9 56.2 -4.3 154.5 17 131 X I H X S+ 0 0 0 -4,-1.9 4,-3.9 2,-0.2 5,-0.3 0.910 110.8 51.9 -72.5 -38.9 59.8 -5.4 154.1 18 132 X A H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.854 112.2 45.3 -61.6 -40.4 58.6 -8.3 151.9 19 133 X V H < S+ 0 0 22 -4,-2.0 3,-0.4 2,-0.2 4,-0.4 0.958 115.8 46.5 -67.0 -50.4 56.6 -5.9 149.8 20 134 X V H >< S+ 0 0 48 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.955 113.1 48.5 -58.2 -51.1 59.5 -3.4 149.6 21 135 X L H >< S+ 0 0 3 -4,-3.9 3,-1.3 1,-0.3 -1,-0.2 0.749 100.1 68.8 -63.4 -21.9 62.2 -6.1 148.8 22 136 X S T 3< S+ 0 0 56 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.615 89.6 59.5 -78.0 -8.5 60.0 -7.7 146.0 23 137 X Y T < S+ 0 0 117 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.1 0.431 96.4 85.0 -95.4 4.3 60.2 -4.8 143.6 24 138 X L S < S- 0 0 64 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.466 94.4 -90.3 -99.1 168.8 64.0 -5.1 143.5 25 139 X D >> - 0 0 108 -2,-0.1 4,-2.6 1,-0.1 3,-0.6 -0.664 46.3-120.7 -70.5 128.9 66.4 -7.3 141.5 26 140 X P H 3> S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.799 109.5 55.6 -46.6 -40.5 66.8 -10.4 143.7 27 141 X P H 3> S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.912 113.1 43.6 -59.4 -40.4 70.7 -10.0 144.1 28 142 X V H <> S+ 0 0 70 -3,-0.6 4,-1.9 1,-0.2 5,-0.2 0.929 111.5 54.6 -65.0 -41.9 70.1 -6.5 145.5 29 143 X A H X S+ 0 0 14 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.830 109.1 48.9 -60.7 -34.0 67.1 -7.9 147.5 30 144 X A H X S+ 0 0 59 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.904 105.8 54.8 -71.2 -45.7 69.5 -10.4 149.1 31 145 X Q H X S+ 0 0 132 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.870 112.7 44.6 -55.8 -37.7 72.2 -8.0 150.0 32 146 X I H X S+ 0 0 4 -4,-1.9 4,-0.9 2,-0.2 3,-0.5 0.918 112.5 51.1 -73.6 -42.8 69.7 -5.9 151.9 33 147 X L H >< S+ 0 0 27 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.920 107.6 53.3 -61.1 -44.5 68.1 -9.0 153.5 34 148 X G H 3< S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.780 109.8 48.6 -60.3 -28.9 71.5 -10.2 154.7 35 149 X A H 3< S+ 0 0 55 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.597 89.1 101.0 -91.1 -13.2 72.2 -6.9 156.4 36 150 X L S << S- 0 0 3 -3,-0.9 5,-0.1 -4,-0.9 -29,-0.1 -0.336 96.0 -74.4 -66.5 150.3 68.9 -6.6 158.2 37 151 X P >> - 0 0 43 0, 0.0 3,-2.5 0, 0.0 4,-0.8 -0.305 46.3-119.5 -46.7 129.4 68.9 -7.6 161.9 38 152 X E H 3> S+ 0 0 155 1,-0.3 4,-0.6 2,-0.2 3,-0.2 0.712 109.6 60.3 -45.8 -32.1 69.2 -11.4 162.3 39 153 X E H 34 S+ 0 0 177 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.669 106.9 45.1 -75.4 -19.4 65.9 -11.7 164.1 40 154 X L H <> S+ 0 0 36 -3,-2.5 4,-1.5 2,-0.1 -1,-0.2 0.680 95.0 82.8 -94.5 -18.8 64.0 -10.2 161.2 41 155 X Q H X S+ 0 0 44 -4,-0.8 4,-1.8 -3,-0.2 3,-0.4 0.887 87.3 44.2 -57.5 -60.6 65.6 -12.2 158.5 42 156 X T H X S+ 0 0 120 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.924 115.2 49.6 -52.7 -47.8 63.9 -15.6 158.4 43 157 X E H > S+ 0 0 81 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.784 105.8 56.5 -68.8 -25.4 60.4 -14.0 158.7 44 158 X V H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.4 -1,-0.2 0.979 110.0 45.7 -69.6 -46.9 61.1 -11.5 155.9 45 159 X L H X S+ 0 0 99 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.881 110.5 53.1 -59.9 -41.9 61.9 -14.4 153.5 46 160 X K H X S+ 0 0 103 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.944 111.2 46.7 -57.4 -47.8 58.9 -16.4 154.6 47 161 X R H X S+ 0 0 47 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.842 110.4 52.8 -63.6 -36.4 56.7 -13.4 153.9 48 162 X I H >< S+ 0 0 54 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.946 111.8 47.0 -63.6 -45.2 58.4 -12.9 150.5 49 163 X A H 3< S+ 0 0 73 -4,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.833 116.3 42.3 -63.7 -38.8 57.7 -16.6 149.6 50 164 X L H >X S+ 0 0 46 -4,-2.2 3,-1.9 -5,-0.2 4,-1.6 0.463 85.9 102.3 -91.2 2.8 54.1 -16.4 150.7 51 165 X L H > - 0 0 30 0, 0.0 4,-0.8 0, 0.0 3,-0.7 -0.223 10.4-124.5 -64.3 153.2 48.4 -7.2 149.5 57 171 X E H 3> S+ 0 0 131 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.778 107.7 66.4 -70.8 -22.5 45.8 -4.8 148.0 58 172 X V H 3> S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.795 91.4 61.4 -64.4 -31.8 48.7 -2.2 147.5 59 173 X V H <> S+ 0 0 53 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.944 105.0 45.7 -66.4 -46.7 50.4 -4.4 144.9 60 174 X K H X S+ 0 0 103 -4,-0.8 4,-3.0 1,-0.2 -1,-0.2 0.895 111.9 52.4 -64.8 -37.6 47.5 -4.3 142.5 61 175 X E H X S+ 0 0 98 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.853 108.3 51.5 -67.0 -33.0 47.2 -0.5 143.0 62 176 X I H X S+ 0 0 60 -4,-2.1 4,-1.6 2,-0.2 3,-0.4 0.923 113.6 44.2 -67.2 -43.0 50.9 -0.1 142.2 63 177 X E H X S+ 0 0 68 -4,-2.5 4,-3.1 1,-0.2 3,-0.3 0.930 106.2 60.4 -68.5 -40.0 50.4 -2.1 139.0 64 178 X R H X S+ 0 0 124 -4,-3.0 4,-0.9 1,-0.3 -1,-0.2 0.738 114.6 36.8 -60.2 -23.1 47.2 -0.2 138.1 65 179 X N H X S+ 0 0 77 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.3 0.645 113.6 54.9 -98.5 -26.3 49.2 3.0 138.0 66 180 X L H X S+ 0 0 95 -4,-1.6 4,-2.3 -3,-0.3 5,-0.2 0.964 110.9 48.1 -69.9 -49.8 52.4 1.5 136.6 67 181 X E H X S+ 0 0 106 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.895 112.1 48.0 -50.9 -51.0 50.3 0.2 133.7 68 182 X K H X S+ 0 0 143 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.2 0.835 111.8 49.3 -65.9 -37.7 48.5 3.6 133.2 69 183 X K H X S+ 0 0 132 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.897 114.3 43.0 -73.1 -36.7 51.7 5.6 133.2 70 184 X I H X S+ 0 0 110 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 113.9 53.8 -73.9 -36.8 53.5 3.4 130.7 71 185 X S H X S+ 0 0 65 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.881 109.1 48.0 -57.6 -46.1 50.3 3.2 128.5 72 186 X G H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.781 108.2 53.3 -71.4 -31.0 50.0 6.9 128.4 73 187 X F H X S+ 0 0 110 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.957 110.6 48.2 -67.5 -47.3 53.6 7.4 127.4 74 188 X V H X S+ 0 0 73 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.871 113.7 47.5 -57.1 -41.4 53.2 5.0 124.6 75 189 X S H X S+ 0 0 67 -4,-2.3 4,-1.3 2,-0.2 5,-0.2 0.905 113.7 45.7 -70.4 -41.8 50.0 6.8 123.5 76 190 X R H < S+ 0 0 189 -4,-2.4 4,-0.2 2,-0.2 -2,-0.2 0.857 121.8 38.6 -68.9 -31.0 51.5 10.3 123.6 77 191 X T H < S+ 0 0 54 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.906 126.3 27.8 -88.2 -42.7 54.7 9.2 121.8 78 192 X F H < S+ 0 0 137 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.429 91.9 85.8-107.5 1.8 53.5 6.8 119.2 79 193 X S S < S+ 0 0 82 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.1 0.867 107.4 23.4 -71.4 -34.5 49.9 7.7 118.2 80 194 X K S S- 0 0 194 -4,-0.2 2,-0.3 -5,-0.2 -1,-0.2 -0.983 83.8-167.5-125.4 146.0 51.2 10.1 115.7 81 195 X V + 0 0 123 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.910 46.0 13.6-137.1 157.8 54.6 9.8 114.3 82 196 X G + 0 0 46 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.523 65.7 144.4 77.0-146.9 57.1 11.9 112.3 83 197 X G > - 0 0 54 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.437 66.2 -49.5 104.9 178.5 56.3 15.5 112.0 84 198 X I H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 130.7 53.3 -61.5 -37.0 58.3 18.8 111.9 85 199 X D H > S+ 0 0 83 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.928 110.7 47.0 -63.9 -44.1 60.4 18.1 114.9 86 200 X T H > S+ 0 0 55 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.932 111.0 51.8 -62.2 -48.3 61.5 14.8 113.5 87 201 X A H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.858 111.1 48.2 -54.3 -41.1 62.3 16.4 110.2 88 202 X A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 110.5 49.4 -69.5 -47.1 64.4 19.0 111.9 89 203 X E H X S+ 0 0 115 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.851 111.4 50.9 -58.9 -38.6 66.4 16.5 114.0 90 204 X I H >< S+ 0 0 95 -4,-2.4 3,-1.1 2,-0.2 4,-0.5 0.951 109.1 50.1 -67.3 -46.1 67.0 14.5 110.8 91 205 X M H >< S+ 0 0 13 -4,-2.3 3,-0.9 1,-0.3 -2,-0.2 0.851 106.3 55.9 -62.3 -33.4 68.3 17.5 108.9 92 206 X N H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.759 110.8 46.0 -68.9 -24.7 70.6 18.4 111.8 93 207 X N T << S+ 0 0 140 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.410 94.4 98.2 -98.4 -0.0 72.1 15.0 111.5 94 208 X L S < S- 0 0 57 -3,-0.9 2,-0.1 -4,-0.5 -3,-0.0 -0.469 84.7 -93.7 -86.1 162.4 72.5 14.9 107.8 95 209 X D > - 0 0 95 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.484 40.5-112.8 -71.1 145.9 75.7 15.6 105.8 96 210 X R H > S+ 0 0 214 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.769 113.1 51.9 -55.7 -36.4 75.9 19.2 104.7 97 211 X T H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 112.1 47.2 -67.9 -43.1 75.6 18.6 101.0 98 212 X T H > S+ 0 0 38 -3,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.948 113.1 46.9 -66.0 -46.3 72.4 16.5 101.5 99 213 X E H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.810 111.4 51.3 -68.6 -30.0 70.7 19.0 103.8 100 214 X K H X S+ 0 0 106 -4,-1.9 4,-3.1 -5,-0.2 -1,-0.2 0.901 110.7 50.0 -70.4 -39.4 71.6 21.9 101.5 101 215 X K H X S+ 0 0 116 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.970 113.6 44.5 -62.8 -50.2 70.1 20.0 98.6 102 216 X I H X S+ 0 0 60 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.900 116.7 45.4 -61.7 -37.1 66.9 19.2 100.6 103 217 X M H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.940 109.3 56.1 -74.6 -39.9 66.6 22.7 101.9 104 218 X D H X S+ 0 0 58 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.866 109.5 46.2 -55.6 -43.3 67.3 24.2 98.5 105 219 X K H X S+ 0 0 122 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.862 109.7 53.5 -71.2 -34.1 64.4 22.3 96.9 106 220 X L H X S+ 0 0 27 -4,-1.8 4,-1.2 1,-0.2 8,-0.4 0.831 102.2 57.9 -73.1 -27.1 62.0 23.2 99.7 107 221 X V H < S+ 0 0 58 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.870 115.9 37.5 -66.9 -33.4 62.7 26.9 99.3 108 222 X Q H < S+ 0 0 156 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.1 0.968 128.2 31.6 -74.8 -57.6 61.6 26.5 95.6 109 223 X E H < S+ 0 0 145 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.932 136.1 5.7 -72.1 -58.5 58.7 24.0 96.1 110 224 X N >X + 0 0 79 -4,-1.2 4,-1.7 -5,-0.3 3,-0.8 -0.709 65.0 177.3-134.4 81.2 57.2 24.6 99.6 111 225 X P H 3> S+ 0 0 78 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.802 77.2 55.4 -64.6 -32.0 58.7 27.7 101.1 112 226 X E H 3> S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -5,-0.1 0.799 107.7 49.5 -71.6 -24.8 56.6 27.7 104.3 113 227 X L H <> S+ 0 0 65 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.911 107.7 54.2 -75.7 -40.2 57.6 24.2 105.2 114 228 X A H X S+ 0 0 3 -4,-1.7 4,-2.3 -8,-0.4 -2,-0.2 0.875 110.4 47.9 -57.7 -39.7 61.2 25.1 104.6 115 229 X D H X S+ 0 0 36 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.844 109.2 51.8 -70.1 -38.2 60.7 27.9 107.1 116 230 X E H X S+ 0 0 69 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.964 114.3 43.5 -62.5 -49.9 58.9 25.6 109.6 117 231 X I H X S+ 0 0 10 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.887 111.6 55.5 -62.1 -39.2 61.9 23.2 109.5 118 232 X R H >X S+ 0 0 48 -4,-2.3 4,-0.7 -5,-0.2 3,-0.6 0.937 110.9 44.3 -60.1 -48.4 64.3 26.1 109.6 119 233 X R H >< S+ 0 0 21 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.862 112.7 51.3 -62.8 -38.9 62.8 27.4 112.8 120 234 X R H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.669 102.7 59.5 -77.7 -15.1 62.6 24.0 114.3 121 235 X M H << S+ 0 0 26 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.727 80.3 112.9 -82.2 -22.1 66.3 23.3 113.6 122 236 X F << - 0 0 3 -4,-0.7 2,-0.3 -3,-0.6 79,-0.0 -0.222 43.4-179.9 -59.4 135.8 67.4 26.3 115.7 123 237 X V > - 0 0 79 74,-0.0 3,-2.1 1,-0.0 4,-0.2 -0.885 43.3 -93.3-137.2 155.2 69.2 25.3 118.8 124 238 X F G > S+ 0 0 10 -2,-0.3 3,-1.4 1,-0.3 4,-0.1 0.806 120.2 54.9 -48.2 -40.6 70.7 27.8 121.4 125 239 X E G > S+ 0 0 77 1,-0.3 3,-1.7 2,-0.1 -1,-0.3 0.640 85.6 83.4 -70.4 -13.2 74.2 28.1 120.0 126 240 X D G X + 0 0 39 -3,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.577 67.3 85.2 -67.3 -9.6 72.8 29.1 116.6 127 241 X I G X S+ 0 0 5 -3,-1.4 3,-2.0 1,-0.3 -1,-0.3 0.823 76.8 70.1 -57.7 -30.7 72.7 32.7 118.0 128 242 X L G < S+ 0 0 41 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.836 96.7 50.2 -56.8 -32.5 76.3 32.9 116.9 129 243 X K G < S+ 0 0 134 -3,-1.3 83,-0.4 -4,-0.2 -1,-0.3 0.366 89.5 101.4 -90.0 3.3 75.1 32.9 113.3 130 244 X L S < S- 0 0 4 -3,-2.0 2,-0.1 -4,-0.1 81,-0.1 -0.620 77.0-117.9 -80.7 149.1 72.6 35.7 113.9 131 245 X D >> - 0 0 79 79,-0.3 4,-2.1 -2,-0.2 3,-0.6 -0.503 29.5-100.5 -84.2 163.8 73.7 39.2 112.8 132 246 X D H 3> S+ 0 0 60 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.814 120.7 51.0 -49.4 -42.8 74.1 42.0 115.3 133 247 X R H 3> S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.847 109.7 51.0 -65.9 -38.2 70.7 43.7 114.5 134 248 X S H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.948 111.3 47.1 -65.7 -46.7 68.9 40.4 115.0 135 249 X I H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.928 110.7 52.7 -60.8 -43.8 70.6 39.9 118.4 136 250 X Q H X S+ 0 0 93 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.875 109.7 48.7 -59.3 -40.7 69.8 43.5 119.3 137 251 X L H < S+ 0 0 34 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 110.9 50.6 -65.5 -38.8 66.1 42.8 118.4 138 252 X V H >X S+ 0 0 7 -4,-2.2 3,-1.6 1,-0.2 4,-1.2 0.925 106.0 56.7 -65.9 -42.6 66.1 39.6 120.5 139 253 X L H 3< S+ 0 0 27 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.835 97.3 60.4 -61.0 -33.4 67.6 41.3 123.5 140 254 X R T 3< S+ 0 0 193 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.385 110.2 43.7 -78.6 11.9 64.8 44.0 123.8 141 255 X E T <4 S+ 0 0 82 -3,-1.6 2,-0.4 2,-0.0 -1,-0.2 0.542 100.4 75.3-124.8 -27.3 62.3 41.1 124.3 142 256 X V S < S- 0 0 14 -4,-1.2 2,-0.2 -3,-0.3 -1,-0.0 -0.728 77.4-130.6 -92.6 135.1 64.2 38.9 126.7 143 257 X D > - 0 0 92 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.629 22.5-112.8 -81.8 154.1 64.4 40.0 130.3 144 258 X T H > S+ 0 0 86 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.643 114.3 56.9 -55.0 -25.8 67.7 40.0 132.2 145 259 X R H > S+ 0 0 146 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.965 111.3 41.9 -69.1 -54.0 66.7 37.1 134.5 146 260 X D H > S+ 0 0 28 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.841 116.1 50.4 -59.4 -39.4 66.0 34.8 131.6 147 261 X L H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.924 110.7 46.5 -67.9 -46.4 69.1 35.9 129.7 148 262 X A H X S+ 0 0 1 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.851 112.4 49.9 -66.2 -39.3 71.6 35.5 132.5 149 263 X L H >< S+ 0 0 19 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.918 110.7 51.6 -62.9 -42.8 70.3 32.1 133.4 150 264 X A H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.823 108.6 49.5 -66.3 -32.4 70.5 31.1 129.8 151 265 X L H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.644 88.8 79.6 -85.0 -13.0 74.2 32.2 129.4 152 266 X K T << S+ 0 0 73 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.743 98.0 49.1 -65.5 -20.3 75.2 30.3 132.6 153 267 X G T < S+ 0 0 34 -3,-0.7 -1,-0.3 -4,-0.4 2,-0.3 -0.499 100.6 105.3-110.1 58.1 75.2 27.4 130.2 154 268 X A < - 0 0 27 -3,-1.1 2,-0.1 -2,-0.2 -3,-0.1 -0.989 64.9-120.4-141.4 155.3 77.2 29.1 127.4 155 269 X S > - 0 0 50 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.306 37.9-107.1 -77.3 167.3 80.6 29.2 125.7 156 270 X D H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.902 115.8 53.9 -66.0 -42.8 82.7 32.4 125.6 157 271 X E H > S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.861 110.9 48.3 -64.1 -34.3 82.2 33.2 121.9 158 272 X L H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 112.6 47.2 -65.9 -47.9 78.4 33.1 122.5 159 273 X K H X S+ 0 0 51 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.865 111.2 53.2 -62.2 -38.6 78.6 35.3 125.6 160 274 X E H X S+ 0 0 96 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.818 103.9 54.6 -66.4 -33.9 80.8 37.7 123.7 161 275 X K H < S+ 0 0 46 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.800 112.0 45.5 -71.5 -31.2 78.4 38.0 120.8 162 276 X I H >< S+ 0 0 7 -4,-1.3 3,-1.6 2,-0.2 -2,-0.2 0.952 111.1 51.6 -72.9 -49.7 75.7 39.0 123.3 163 277 X F H >< S+ 0 0 18 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.829 104.8 56.7 -58.5 -37.1 78.0 41.4 125.2 164 278 X K T 3< S+ 0 0 122 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.667 104.2 56.6 -68.0 -19.8 79.0 43.3 122.0 165 279 X N T < S+ 0 0 12 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.130 99.7 62.2-106.8 20.4 75.3 43.9 121.3 166 280 X M S < S- 0 0 40 -3,-1.3 5,-0.1 -27,-0.0 -30,-0.0 -0.876 99.1 -70.1-130.6 169.9 74.3 45.7 124.5 167 281 X S > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.338 47.4-113.5 -59.4 141.0 75.4 49.0 126.1 168 282 X K H > S+ 0 0 175 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.675 118.3 44.9 -46.9 -27.0 79.0 49.0 127.5 169 283 X R H > S+ 0 0 205 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.871 108.5 52.3 -85.4 -48.4 77.5 49.3 131.0 170 284 X A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.736 107.8 55.1 -66.0 -24.0 74.7 46.7 130.7 171 285 X A H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.880 109.4 46.2 -67.8 -43.6 77.4 44.2 129.6 172 286 X A H X S+ 0 0 50 -4,-0.6 4,-1.1 -5,-0.2 -2,-0.2 0.840 113.6 49.2 -69.3 -36.3 79.4 45.0 132.7 173 287 X L H X S+ 0 0 108 -4,-2.4 4,-1.7 2,-0.2 3,-0.2 0.911 111.8 49.0 -65.2 -43.5 76.2 44.7 134.8 174 288 X L H X S+ 0 0 5 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.891 107.2 54.8 -64.6 -40.2 75.4 41.3 133.1 175 289 X K H X S+ 0 0 105 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.820 107.6 52.6 -62.2 -33.3 78.9 40.0 133.7 176 290 X D H X S+ 0 0 88 -4,-1.1 4,-2.1 -3,-0.2 3,-0.4 0.914 105.6 49.8 -71.1 -45.4 78.4 40.7 137.4 177 291 X E H < S+ 0 0 60 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.816 108.3 56.2 -65.9 -29.3 75.1 38.8 137.8 178 292 X L H < S+ 0 0 15 -4,-1.6 4,-0.5 1,-0.2 3,-0.4 0.818 109.3 46.3 -67.9 -34.2 76.7 35.8 136.1 179 293 X E H < S+ 0 0 132 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.883 117.0 43.6 -75.5 -35.6 79.5 35.9 138.7 180 294 X Y S < S+ 0 0 175 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.144 97.5 67.0-104.6 23.0 77.2 36.3 141.7 181 295 X M + 0 0 37 -3,-0.4 -1,-0.2 -4,-0.2 -3,-0.1 0.751 69.0 168.3-106.3 -31.0 74.3 33.9 141.1 182 296 X G + 0 0 30 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.1 -0.406 43.5 50.7 68.1-121.7 76.2 30.6 141.4 183 297 X P + 0 0 133 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.404 61.6 158.2 -65.3 110.2 74.4 27.3 141.8 184 298 X V - 0 0 53 -2,-0.4 2,-0.3 -32,-0.1 -2,-0.0 -0.982 35.1-121.5-130.6 146.2 71.7 26.8 139.1 185 299 X R >> - 0 0 148 -2,-0.3 3,-1.1 1,-0.1 4,-1.1 -0.692 19.9-120.2 -93.7 146.5 70.2 23.6 137.8 186 300 X L H 3> S+ 0 0 145 -2,-0.3 4,-2.5 1,-0.3 3,-0.3 0.771 111.9 60.4 -46.4 -41.5 70.3 22.3 134.2 187 301 X K H 3> S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.881 105.6 47.4 -53.3 -46.7 66.4 22.3 134.0 188 302 X D H <> S+ 0 0 53 -3,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.735 111.9 49.6 -72.4 -25.2 66.3 26.1 134.8 189 303 X V H X S+ 0 0 10 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.899 108.9 54.0 -78.6 -40.1 69.0 26.8 132.2 190 304 X E H X S+ 0 0 107 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.895 111.0 42.3 -60.0 -48.9 67.2 24.7 129.5 191 305 X E H X S+ 0 0 99 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.789 112.8 54.4 -74.8 -26.4 63.8 26.5 129.8 192 306 X A H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.911 112.4 44.1 -66.8 -44.0 65.6 29.9 130.0 193 307 X Q H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.913 113.5 50.7 -65.1 -40.1 67.3 28.9 126.8 194 308 X Q H X S+ 0 0 72 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.833 104.6 57.5 -68.5 -34.3 64.0 27.7 125.3 195 309 X K H X S+ 0 0 70 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.902 112.2 42.2 -60.1 -43.9 62.2 30.9 126.3 196 310 X I H >X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 3,-0.6 0.894 110.3 57.2 -69.1 -40.1 64.8 32.7 124.1 197 311 X I H 3X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.943 106.2 49.3 -59.4 -46.1 64.6 30.1 121.4 198 312 X N H 3X S+ 0 0 87 -4,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.735 108.5 53.8 -61.5 -27.3 60.8 30.7 121.1 199 313 X I H S+ 0 0 7 -4,-2.5 5,-2.6 1,-0.2 6,-0.7 0.881 112.6 44.4 -69.2 -35.0 60.6 37.0 115.4 204 318 X E H ><5S+ 0 0 13 -4,-2.2 3,-1.2 4,-0.2 -1,-0.2 0.851 106.6 61.5 -77.4 -26.5 61.6 35.0 112.4 205 319 X E H 3<5S+ 0 0 131 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.912 107.1 46.0 -61.0 -40.6 57.9 33.9 112.0 206 320 X A T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.434 118.9-112.4 -80.3 -4.9 57.1 37.5 111.6 207 321 X G T < 5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.768 82.2 125.1 80.2 25.1 59.9 38.1 109.1 208 322 X E S