==== 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 GENOMICS, UNKNOWN FUNCTION 30-MAR-09 3GV1 . COMPND 2 MOLECULE: DISULFIDE INTERCHANGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 10.0 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 . 3 0.7 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 . 41 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 3 2 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 3 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 6 0 3 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 3 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 1 123 A X 0 0 8 0, 0.0 249,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -7.3 28.0 25.5 22.6 2 124 A S > - 0 0 8 247,-0.1 3,-2.8 1,-0.1 247,-0.1 -0.997 360.0-138.7-124.6 127.3 31.1 24.1 24.3 3 125 A L G > S+ 0 0 32 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.791 101.5 71.3 -54.8 -28.2 34.4 23.9 22.3 4 126 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.697 94.5 54.6 -61.5 -18.7 35.0 20.5 24.0 5 127 A K G < S+ 0 0 34 -3,-2.8 43,-0.5 2,-0.1 2,-0.3 0.203 99.3 84.4 -99.1 15.5 32.2 19.2 21.8 6 128 A A S < S- 0 0 8 -3,-2.3 2,-0.4 41,-0.1 41,-0.2 -0.874 82.0-115.2-117.0 150.7 33.9 20.4 18.6 7 129 A I E -A 46 0A 1 39,-3.0 39,-3.2 -2,-0.3 2,-0.6 -0.731 38.6-147.7 -77.9 130.3 36.6 19.0 16.3 8 130 A K E -A 45 0A 119 -2,-0.4 2,-0.5 37,-0.2 37,-0.2 -0.887 19.9-179.8-114.8 115.8 39.5 21.3 16.6 9 131 A E E -A 44 0A 22 35,-2.8 35,-3.1 -2,-0.6 2,-0.6 -0.962 9.4-162.6-112.6 124.1 42.0 22.1 13.8 10 132 A V E -A 43 0A 81 -2,-0.5 2,-0.5 33,-0.2 33,-0.2 -0.922 7.2-169.5-101.1 117.8 44.9 24.4 14.4 11 133 A R E > -A 42 0A 52 31,-2.8 3,-2.1 -2,-0.6 31,-1.6 -0.921 58.8 -39.3-105.2 126.2 46.4 25.7 11.2 12 134 A G T 3 S- 0 0 56 -2,-0.5 28,-0.0 1,-0.3 -2,-0.0 -0.330 131.2 -10.5 61.5-132.1 49.7 27.6 11.5 13 135 A N T 3 S- 0 0 91 1,-0.1 -1,-0.3 30,-0.0 30,-0.1 0.479 85.8-135.4 -83.2 1.2 49.7 29.8 14.6 14 136 A G < + 0 0 4 -3,-2.1 29,-0.4 28,-0.2 -2,-0.1 0.583 55.7 142.4 61.6 13.6 46.0 29.3 15.1 15 137 A K + 0 0 152 27,-0.2 27,-0.2 -4,-0.2 2,-0.1 0.900 49.8 65.0 -52.6 -56.7 45.4 33.0 15.7 16 138 A L E S-b 42 0A 12 25,-2.2 27,-3.2 24,-0.2 2,-0.4 -0.457 75.1-148.6 -72.9 147.1 42.0 33.5 14.0 17 139 A K E +b 43 0A 70 25,-0.2 2,-0.3 117,-0.2 27,-0.2 -0.962 24.4 158.9-118.2 137.3 39.1 31.6 15.5 18 140 A V E -b 44 0A 3 25,-1.9 27,-2.5 -2,-0.4 2,-0.3 -0.983 18.6-159.0-151.7 146.2 36.1 30.3 13.7 19 141 A A E -bC 45 114A 10 95,-2.3 95,-2.7 -2,-0.3 2,-0.4 -0.904 7.7-163.8-125.1 157.0 33.5 27.6 14.4 20 142 A V E -bC 46 113A 2 25,-2.6 27,-3.0 -2,-0.3 2,-0.8 -0.997 20.7-144.6-143.9 128.9 31.3 25.8 11.9 21 143 A F E +bC 47 112A 0 91,-3.5 91,-1.7 -2,-0.4 2,-0.3 -0.886 44.8 178.5 -90.9 113.1 28.2 23.7 12.3 22 144 A S E -b 48 0A 2 25,-2.7 27,-3.3 -2,-0.8 -2,-0.0 -0.881 34.1-146.3-129.9 148.3 28.9 21.2 9.6 23 145 A D > - 0 0 0 -2,-0.3 3,-2.1 25,-0.2 6,-0.2 -0.956 18.4-141.6-114.6 122.4 27.3 18.0 8.0 24 146 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.631 102.8 46.5 -62.5 -13.4 29.9 15.5 6.7 25 147 A D T 3 S+ 0 0 31 30,-0.1 3,-0.1 4,-0.0 33,-0.0 0.327 86.8 107.8-108.4 6.7 27.8 14.7 3.6 26 148 A C X> - 0 0 4 -3,-2.1 4,-2.3 1,-0.2 3,-0.5 -0.757 56.8-157.1 -88.2 116.5 27.1 18.3 2.7 27 149 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.781 95.8 58.6 -63.4 -25.7 29.1 19.4 -0.4 28 150 A F H 3> S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.879 108.3 44.7 -68.1 -37.8 28.8 23.0 0.8 29 151 A C H <> S+ 0 0 1 -3,-0.5 4,-1.7 -6,-0.2 -1,-0.2 0.842 112.3 52.5 -69.7 -38.0 30.6 22.0 4.0 30 152 A K H X S+ 0 0 18 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.912 109.2 49.3 -62.9 -43.9 33.1 20.1 2.0 31 153 A R H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.941 106.7 55.3 -61.7 -47.8 33.7 23.1 -0.1 32 154 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.900 108.3 50.6 -47.5 -40.4 34.2 25.3 3.0 33 155 A E H X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.840 104.0 56.4 -76.6 -29.5 36.9 22.8 4.0 34 156 A H H < S+ 0 0 2 -4,-1.8 4,-0.5 -3,-0.3 -1,-0.2 0.916 111.0 45.3 -58.4 -45.4 38.6 23.0 0.7 35 157 A E H >< S+ 0 0 7 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.896 108.1 55.5 -66.9 -44.5 38.9 26.8 1.3 36 158 A F H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.867 100.0 62.9 -50.7 -40.6 40.1 26.3 4.9 37 159 A E T 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.777 100.9 52.8 -57.1 -25.4 42.8 24.2 3.5 38 160 A K T < S+ 0 0 122 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.553 102.5 70.0 -87.4 -10.9 44.1 27.3 1.6 39 161 A X < - 0 0 4 -3,-1.5 2,-0.2 -4,-0.5 3,-0.2 -0.620 61.5-164.0-107.6 167.0 44.2 29.5 4.7 40 162 A T + 0 0 68 -2,-0.2 -28,-0.2 1,-0.2 -24,-0.2 -0.818 58.8 47.6-137.7-179.3 46.5 29.6 7.7 41 163 A D S S+ 0 0 51 -2,-0.2 -25,-2.2 1,-0.2 2,-0.3 0.940 87.3 116.1 52.3 52.4 46.9 30.9 11.2 42 164 A V E -Ab 11 16A 0 -31,-1.6 -31,-2.8 -27,-0.2 2,-0.5 -0.989 57.9-144.6-152.9 140.7 43.4 29.9 12.1 43 165 A T E -Ab 10 17A 7 -27,-3.2 -25,-1.9 -29,-0.4 2,-0.6 -0.937 18.5-158.2-107.5 126.8 41.8 27.5 14.5 44 166 A V E -Ab 9 18A 1 -35,-3.1 -35,-2.8 -2,-0.5 2,-0.7 -0.933 5.7-166.0-113.8 121.4 38.6 25.8 13.1 45 167 A Y E -Ab 8 19A 26 -27,-2.5 -25,-2.6 -2,-0.6 2,-0.6 -0.917 10.5-164.7-103.9 112.4 36.1 24.3 15.6 46 168 A S E -Ab 7 20A 2 -39,-3.2 -39,-3.0 -2,-0.7 2,-0.5 -0.881 4.6-161.6-108.8 116.5 33.7 22.1 13.7 47 169 A F E - b 0 21A 0 -27,-3.0 -25,-2.7 -2,-0.6 2,-0.5 -0.835 27.4-118.1 -91.4 130.9 30.5 21.0 15.5 48 170 A X E + b 0 22A 2 -2,-0.5 -25,-0.2 -43,-0.5 54,-0.2 -0.540 42.1 163.3 -74.6 117.7 28.8 18.0 13.9 49 171 A X + 0 0 1 -27,-3.3 -1,-0.1 -2,-0.5 10,-0.1 -0.414 10.2 179.3-132.8 64.5 25.4 18.9 12.6 50 172 A P - 0 0 6 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.370 23.7-142.0 -58.5 140.3 24.4 16.0 10.2 51 173 A I >> - 0 0 43 1,-0.2 4,-2.8 4,-0.0 3,-1.2 -0.884 16.1-169.4-107.9 96.4 20.9 16.7 8.8 52 174 A A T 34 S+ 0 0 63 -2,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.844 79.8 59.3 -62.5 -37.0 19.5 13.1 8.7 53 175 A G T 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.794 117.9 31.6 -60.9 -28.9 16.5 13.9 6.6 54 176 A L T <4 S+ 0 0 42 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.805 131.4 30.8 -97.9 -35.4 18.7 15.1 3.8 55 177 A H >< - 0 0 30 -4,-2.8 3,-2.1 1,-0.1 4,-0.5 -0.785 65.4-171.7-131.3 89.4 21.7 12.9 4.2 56 178 A P T 3 S+ 0 0 123 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.697 86.8 43.3 -60.0 -24.8 20.7 9.5 5.7 57 179 A D T 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.1 5,-0.1 0.440 89.5 90.8 -98.2 -0.1 24.3 8.3 6.2 58 180 A A H <> S+ 0 0 0 -3,-2.1 4,-2.9 1,-0.2 5,-0.2 0.845 80.6 55.5 -69.9 -34.6 25.7 11.6 7.7 59 181 A A H > S+ 0 0 31 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.924 109.3 48.1 -67.6 -40.3 25.0 10.8 11.3 60 182 A R H > S+ 0 0 97 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.934 112.9 48.4 -61.2 -45.6 27.0 7.6 11.1 61 183 A K H X S+ 0 0 25 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.939 110.0 50.9 -62.6 -47.9 29.9 9.5 9.4 62 184 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.881 112.7 46.6 -57.4 -41.7 29.9 12.3 11.9 63 185 A Q H X S+ 0 0 57 -4,-2.0 4,-1.5 -5,-0.2 28,-0.3 0.853 112.2 50.0 -70.4 -38.2 30.1 9.8 14.8 64 186 A I H < S+ 0 0 5 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.937 112.8 46.3 -63.3 -45.9 32.8 7.8 13.2 65 187 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 10,-0.2 0.907 111.3 51.5 -66.1 -42.6 34.9 10.8 12.5 66 188 A W H 3< S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 109.3 52.8 -56.4 -37.8 34.4 12.2 16.0 67 189 A C T 3< S+ 0 0 29 -4,-1.5 -1,-0.2 22,-0.1 -2,-0.2 0.387 82.2 110.9 -88.8 1.8 35.5 8.8 17.5 68 190 A Q S < S- 0 0 53 -3,-1.2 3,-0.4 -4,-0.4 4,-0.1 -0.443 81.4-113.6 -72.2 153.5 38.8 8.5 15.6 69 191 A P S S+ 0 0 131 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.856 115.9 31.2 -60.2 -37.7 41.9 8.8 17.7 70 192 A D S > S- 0 0 94 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.866 76.5-179.1-117.7 93.8 42.9 12.0 15.9 71 193 A R H > S+ 0 0 92 -2,-0.6 4,-2.5 -3,-0.4 5,-0.2 0.853 78.3 53.6 -70.5 -32.3 39.5 13.5 15.1 72 194 A A H > S+ 0 0 17 2,-0.2 4,-2.6 -64,-0.2 5,-0.2 0.887 110.7 47.3 -65.7 -39.4 40.8 16.6 13.4 73 195 A K H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 114.3 46.9 -66.1 -45.5 43.0 14.5 11.1 74 196 A A H X S+ 0 0 8 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.907 114.3 48.4 -61.1 -41.8 40.0 12.2 10.3 75 197 A W H X S+ 0 0 2 -4,-2.5 4,-2.9 -10,-0.2 5,-0.3 0.979 115.9 41.4 -63.8 -57.2 37.7 15.2 9.7 76 198 A T H X>S+ 0 0 15 -4,-2.6 4,-2.3 1,-0.2 5,-0.6 0.852 113.2 54.6 -58.2 -37.7 40.1 17.1 7.4 77 199 A D H X5S+ 0 0 16 -4,-2.5 6,-2.1 -5,-0.2 4,-1.0 0.875 114.8 40.1 -65.2 -36.8 41.1 13.9 5.6 78 200 A W H X5S+ 0 0 23 -4,-1.8 4,-1.8 4,-0.3 -2,-0.2 0.969 119.7 42.6 -76.1 -53.7 37.4 13.1 4.8 79 201 A X H <5S+ 0 0 2 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.820 128.8 26.5 -65.2 -33.7 36.3 16.6 4.0 80 202 A R H <5S+ 0 0 17 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.789 136.3 24.7 -99.3 -32.7 39.3 17.7 1.9 81 203 A K H < - 0 0 24 0, 0.0 3,-2.6 0, 0.0 -2,-0.0 -0.587 33.6-176.9 -84.3 84.8 38.0 5.5 8.2 86 208 A V T 3 S+ 0 0 124 -2,-1.7 -22,-0.0 1,-0.3 -3,-0.0 0.812 79.3 42.8 -57.5 -36.0 35.9 2.7 6.8 87 209 A G T 3 S+ 0 0 82 -3,-0.2 -1,-0.3 2,-0.0 2,-0.0 0.244 84.3 137.3 -92.5 14.1 36.5 0.5 9.9 88 210 A G < - 0 0 15 -3,-2.6 2,-0.2 1,-0.1 -20,-0.1 -0.323 47.4-132.9 -67.0 140.6 36.0 3.2 12.5 89 211 A S - 0 0 74 -22,-0.2 2,-0.5 -25,-0.1 -22,-0.1 -0.538 7.2-132.8 -90.8 157.2 34.0 2.4 15.6 90 212 A I + 0 0 78 -2,-0.2 2,-0.2 -24,-0.1 -26,-0.1 -0.970 31.2 167.6-109.5 122.1 31.2 4.5 17.1 91 213 A C - 0 0 79 -2,-0.5 -24,-0.1 -28,-0.3 0, 0.0 -0.627 54.4 -51.4-115.4-180.0 31.4 5.0 20.9 92 214 A D S S+ 0 0 167 -2,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.267 74.8 161.0 -57.2 139.3 29.4 7.5 23.1 93 215 A N - 0 0 40 -3,-0.1 3,-0.4 -26,-0.0 4,-0.3 -0.978 50.0-112.1-161.3 163.5 29.7 10.9 21.5 94 216 A P S > S+ 0 0 17 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.319 79.3 105.4 -92.6 10.9 28.2 14.4 21.4 95 217 A V H > S+ 0 0 4 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.926 81.7 48.6 -58.8 -46.7 26.9 14.5 17.8 96 218 A A H > S+ 0 0 75 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.912 115.2 48.6 -61.2 -38.3 23.2 14.0 18.8 97 219 A E H > S+ 0 0 64 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.905 112.3 44.4 -64.8 -47.3 23.8 16.8 21.3 98 220 A T H X S+ 0 0 1 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.828 111.9 55.8 -71.6 -28.9 25.5 19.2 18.8 99 221 A T H X S+ 0 0 21 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.951 109.4 45.0 -60.6 -50.3 22.8 18.4 16.3 100 222 A S H X S+ 0 0 62 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.895 111.7 53.8 -59.4 -41.4 20.1 19.4 18.8 101 223 A L H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.907 105.8 51.9 -61.2 -41.2 22.0 22.5 19.7 102 224 A G H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.3 0.922 112.2 46.3 -62.3 -44.0 22.3 23.6 16.1 103 225 A E H ><5S+ 0 0 130 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.935 110.8 52.2 -60.1 -50.3 18.5 23.2 15.7 104 226 A Q H 3<5S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.0 56.5 -52.7 -37.1 17.9 25.1 18.9 105 227 A F T 3<5S- 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.579 118.9-113.9 -78.5 -7.7 20.1 27.9 17.6 106 228 A G T < 5 + 0 0 47 -3,-2.0 2,-0.5 -4,-0.3 -3,-0.2 0.619 59.6 159.9 86.6 16.8 17.8 28.1 14.6 107 229 A F < + 0 0 21 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.559 12.1 173.7 -73.9 121.8 20.5 27.0 12.2 108 230 A N + 0 0 78 -2,-0.5 175,-0.1 -3,-0.1 2,-0.1 -0.917 52.2 27.2-124.7 117.8 19.1 25.7 9.0 109 231 A G S S- 0 0 3 -2,-0.5 14,-0.1 173,-0.1 -88,-0.1 -0.106 85.2 -80.1 114.8 140.9 21.6 24.9 6.3 110 232 A T S S+ 0 0 6 -2,-0.1 14,-0.2 1,-0.1 -82,-0.2 -0.911 98.1 38.5-121.9 148.8 25.1 23.8 6.5 111 233 A P + 0 0 0 0, 0.0 12,-2.9 0, 0.0 2,-0.5 0.686 66.7 178.1 -74.8 153.6 27.7 25.1 6.9 112 234 A T E -CD 21 122A 1 -91,-1.7 -91,-3.5 10,-0.2 2,-0.4 -0.995 16.0-153.7-113.4 124.2 26.7 27.6 9.5 113 235 A L E -CD 20 121A 0 8,-3.1 8,-2.4 -2,-0.5 2,-0.4 -0.762 6.3-162.1 -96.5 142.1 29.8 29.6 10.6 114 236 A V E -CD 19 120A 5 -95,-2.7 -95,-2.3 -2,-0.4 6,-0.2 -0.982 8.7-154.1-121.4 134.9 30.0 31.3 14.0 115 237 A F > - 0 0 5 4,-2.9 3,-2.4 -2,-0.4 -97,-0.1 -0.674 30.2-107.8-108.2 162.3 32.5 34.0 14.7 116 238 A P T 3 S+ 0 0 22 0, 0.0 22,-0.2 0, 0.0 24,-0.1 0.682 118.4 61.5 -62.8 -16.8 34.1 35.2 18.0 117 239 A N T 3 S- 0 0 2 20,-1.4 21,-0.1 22,-0.2 3,-0.1 0.479 119.8-109.4 -84.6 0.5 32.0 38.3 17.9 118 240 A G S < S+ 0 0 0 -3,-2.4 2,-0.1 1,-0.3 56,-0.0 0.319 78.7 126.2 88.3 -9.8 28.8 36.1 18.1 119 241 A R - 0 0 121 18,-0.2 -4,-2.9 -5,-0.1 -1,-0.3 -0.391 44.3-151.9 -76.0 159.2 27.7 36.8 14.5 120 242 A T E -D 114 0A 46 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.880 9.2-150.1-127.5 163.6 27.0 34.0 12.2 121 243 A Q E -D 113 0A 28 -8,-2.4 -8,-3.1 -2,-0.3 2,-0.6 -0.988 11.2-143.4-135.0 129.3 27.0 33.2 8.4 122 244 A S E S+D 112 0A 47 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.1 -0.799 71.9 7.4 -83.5 120.9 24.8 30.8 6.5 123 245 A G S S- 0 0 0 -12,-2.9 -10,-0.2 -2,-0.6 -94,-0.0 0.044 91.4 -69.1 94.3 157.4 26.8 29.1 3.8 124 246 A Y - 0 0 4 -14,-0.2 -95,-0.1 -12,-0.1 -2,-0.0 -0.188 33.9-148.3 -79.5 171.3 30.4 29.0 2.8 125 247 A S - 0 0 3 261,-0.1 2,-0.2 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79.2-101.4 11.3 26.4 38.5 42.6 146 128 B A S < S- 0 0 6 -3,-2.5 2,-0.4 41,-0.1 41,-0.2 -0.854 86.7-110.9-116.9 151.8 25.1 39.0 39.1 147 129 B I E -E 186 0B 1 39,-2.8 39,-2.6 -2,-0.3 2,-0.6 -0.701 38.4-148.8 -75.0 129.1 25.2 41.8 36.6 148 130 B K E -E 185 0B 118 -2,-0.4 2,-0.6 37,-0.2 37,-0.2 -0.916 18.0-177.7-111.8 111.4 21.7 43.2 36.4 149 131 B E E -E 184 0B 22 35,-2.5 35,-2.7 -2,-0.6 2,-0.6 -0.936 9.8-160.9-106.2 118.9 20.3 44.7 33.2 150 132 B V E -E 183 0B 77 -2,-0.6 2,-0.4 33,-0.2 33,-0.2 -0.885 7.6-170.3 -97.0 123.9 16.8 46.1 33.4 151 133 B R E > -E 182 0B 48 31,-2.6 3,-2.2 -2,-0.6 31,-1.3 -0.953 58.4 -35.3-117.1 129.4 15.2 46.5 30.0 152 134 B G T 3 S- 0 0 53 -2,-0.4 -2,-0.0 1,-0.3 27,-0.0 -0.366 132.5 -15.4 55.4-133.5 11.8 48.4 29.8 153 135 B N T 3 S- 0 0 101 1,-0.1 -1,-0.3 -2,-0.0 30,-0.1 0.512 86.6-132.5 -80.0 -4.9 9.8 47.6 32.9 154 136 B G < + 0 0 3 -3,-2.2 29,-0.4 28,-0.2 28,-0.1 0.676 56.8 144.1 69.2 18.5 12.1 44.6 33.7 155 137 B K + 0 0 154 27,-0.2 27,-0.2 -4,-0.2 2,-0.2 0.915 47.1 65.4 -66.2 -54.5 9.1 42.3 34.2 156 138 B L E S-f 182 0B 16 25,-2.2 27,-3.1 24,-0.1 2,-0.4 -0.478 76.5-146.2 -66.2 140.6 10.3 39.0 32.9 157 139 B K E +f 183 0B 74 25,-0.2 2,-0.3 117,-0.2 27,-0.2 -0.895 26.6 156.6-112.4 138.8 13.1 37.5 34.8 158 140 B V E -f 184 0B 3 25,-1.6 27,-2.6 -2,-0.4 2,-0.3 -0.963 20.4-156.0-153.9 143.5 16.0 35.3 33.5 159 141 B A E -fG 185 254B 10 95,-2.5 95,-2.9 -2,-0.3 2,-0.4 -0.899 7.9-162.5-119.1 154.2 19.5 34.5 34.7 160 142 B V E -fG 186 253B 2 25,-2.8 27,-3.0 -2,-0.3 2,-0.8 -0.995 19.3-146.3-136.4 129.6 22.4 33.4 32.6 161 143 B F E +fG 187 252B 10 91,-3.4 91,-2.1 -2,-0.4 2,-0.3 -0.880 45.0 176.4 -89.6 113.4 25.7 31.8 33.5 162 144 B S E -f 188 0B 2 25,-2.4 27,-3.3 -2,-0.8 -2,-0.0 -0.875 34.9-145.4-132.0 152.2 27.8 33.5 30.9 163 145 B D > - 0 0 0 -2,-0.3 3,-2.0 25,-0.2 6,-0.2 -0.979 17.4-141.9-120.2 122.2 31.4 33.7 29.7 164 146 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.670 103.1 46.7 -62.1 -19.4 32.5 37.1 28.4 165 147 B D T 3 S+ 0 0 31 30,-0.1 3,-0.1 4,-0.0 33,-0.0 0.327 86.6 106.3-104.1 5.4 34.7 35.3 25.7 166 148 B C <> - 0 0 2 -3,-2.0 4,-2.1 1,-0.1 5,-0.1 -0.759 57.2-157.1 -86.3 117.7 32.0 32.8 24.6 167 149 B P H > S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.789 96.3 57.3 -64.6 -27.6 30.5 33.7 21.2 168 150 B F H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.897 107.5 48.7 -68.0 -38.5 27.4 31.8 22.0 169 151 B C H > S+ 0 0 1 2,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.897 111.3 49.5 -63.4 -40.3 27.1 34.0 25.1 170 152 B K H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.946 109.0 51.7 -64.6 -43.7 27.6 37.1 22.9 171 153 B R H X S+ 0 0 47 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.940 107.2 53.5 -62.1 -44.6 24.9 35.8 20.5 172 154 B L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.911 107.4 51.5 -51.9 -43.3 22.5 35.4 23.4 173 155 B E H X S+ 0 0 4 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.863 105.8 54.7 -64.4 -34.6 23.2 39.0 24.4 174 156 B H H < S+ 0 0 17 -4,-2.1 -1,-0.2 -3,-0.2 4,-0.2 0.801 109.9 48.2 -64.6 -31.2 22.4 40.1 20.7 175 157 B E H >< S+ 0 0 8 -4,-1.6 3,-2.7 -3,-0.2 4,-0.4 0.932 105.9 55.3 -74.6 -47.6 19.1 38.4 21.1 176 158 B F H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.773 98.5 65.7 -52.1 -28.0 18.3 40.0 24.5 177 159 B E T 3< S+ 0 0 93 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.731 94.9 58.1 -68.3 -19.7 18.8 43.3 22.7 178 160 B K T < S+ 0 0 126 -3,-2.7 -1,-0.3 -4,-0.2 2,-0.3 0.541 102.9 65.9 -90.1 -9.7 15.8 42.5 20.6 179 161 B X < - 0 0 4 -3,-1.1 2,-0.3 -4,-0.4 3,-0.1 -0.698 58.5-171.3-109.0 167.6 13.6 42.2 23.7 180 162 B T + 0 0 67 -2,-0.3 -28,-0.2 1,-0.2 -24,-0.1 -0.808 59.6 55.6-139.1-179.9 12.3 44.5 26.3 181 163 B D S S+ 0 0 65 -2,-0.3 -25,-2.2 1,-0.2 2,-0.3 0.899 86.1 111.1 58.7 48.4 10.5 44.2 29.6 182 164 B V E -Ef 151 156B 0 -31,-1.3 -31,-2.6 -27,-0.2 2,-0.5 -0.996 59.3-144.4-148.3 144.2 13.0 41.8 31.0 183 165 B T E -Ef 150 157B 6 -27,-3.1 -25,-1.6 -29,-0.4 2,-0.6 -0.969 19.4-158.1-106.6 125.7 15.6 41.9 33.7 184 166 B V E -Ef 149 158B 1 -35,-2.7 -35,-2.5 -2,-0.5 2,-0.7 -0.934 3.7-163.6-106.1 120.6 18.7 39.8 32.8 185 167 B Y E -Ef 148 159B 32 -27,-2.6 -25,-2.8 -2,-0.6 2,-0.6 -0.882 9.0-165.1 -98.8 108.2 20.9 38.6 35.6 186 168 B S E -Ef 147 160B 1 -39,-2.6 -39,-2.8 -2,-0.7 2,-0.5 -0.820 3.6-161.6-100.6 118.6 24.3 37.5 34.3 187 169 B F E - f 0 161B 18 -27,-3.0 -25,-2.4 -2,-0.6 2,-0.5 -0.832 27.9-117.0 -95.1 127.3 26.4 35.4 36.6 188 170 B X E + f 0 162B 0 -43,-0.5 54,-0.2 -2,-0.5 -25,-0.2 -0.551 43.5 162.1 -71.8 120.6 30.1 35.4 35.5 189 171 B X - 0 0 6 -27,-3.3 -1,-0.1 -2,-0.5 10,-0.1 -0.488 12.1-178.1-134.1 65.3 31.2 31.9 34.6 190 172 B P - 0 0 6 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.364 22.1-141.3 -60.3 142.5 34.4 32.2 32.5 191 173 B I >> - 0 0 41 1,-0.2 4,-3.0 4,-0.1 3,-1.5 -0.825 17.5-172.7-109.1 92.6 35.7 28.8 31.4 192 174 B A T 34 S+ 0 0 66 -2,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.782 79.1 61.2 -58.3 -33.7 39.4 29.3 31.8 193 175 B G T 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.860 119.5 28.3 -61.1 -32.5 40.3 26.0 30.1 194 176 B L T <4 S+ 0 0 37 -3,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.837 131.4 34.3 -92.6 -38.5 38.6 27.2 27.0 195 177 B H >< - 0 0 26 -4,-3.0 3,-2.5 1,-0.1 4,-0.4 -0.767 63.4-171.9-130.8 81.9 39.1 31.0 27.2 196 178 B P T 3 S+ 0 0 121 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.727 88.4 41.2 -48.8 -37.3 42.4 32.0 28.9 197 179 B D T 3> S+ 0 0 57 1,-0.2 4,-2.0 2,-0.1 3,-0.2 0.451 89.5 94.2 -90.0 -2.0 41.5 35.7 29.1 198 180 B A H <> S+ 0 0 0 -3,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.861 79.5 52.7 -68.2 -39.1 37.9 35.3 30.2 199 181 B A H > S+ 0 0 35 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.880 110.7 49.2 -61.7 -40.1 38.2 35.5 34.0 200 182 B R H > S+ 0 0 104 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 110.7 49.2 -62.6 -48.7 40.1 38.8 33.6 201 183 B K H X S+ 0 0 26 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.905 110.7 52.2 -56.2 -40.5 37.5 40.2 31.3 202 184 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.928 110.7 45.4 -67.0 -45.3 34.7 39.2 33.8 203 185 B Q H X S+ 0 0 55 -4,-2.1 4,-2.3 2,-0.2 28,-0.3 0.930 113.5 50.1 -63.6 -44.6 36.3 40.8 36.8 204 186 B I H X S+ 0 0 8 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.937 113.7 44.7 -59.1 -46.6 37.0 44.0 34.8 205 187 B L H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 10,-0.2 0.936 113.2 51.9 -63.1 -44.4 33.5 44.2 33.6 206 188 B W H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.7 50.3 -55.9 -40.6 32.1 43.4 37.0 207 189 B C H 3< S+ 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.461 82.5 110.7 -88.1 -1.1 34.2 46.1 38.6 208 190 B Q S << S- 0 0 51 -3,-1.1 3,-0.4 -4,-0.6 4,-0.1 -0.289 83.2-108.3 -64.9 158.0 33.2 49.0 36.3 209 191 B P S S+ 0 0 134 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.894 117.1 29.2 -57.6 -42.8 31.1 51.8 37.8 210 192 B D S > S- 0 0 98 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.895 76.6-177.2-117.7 93.3 28.0 50.7 35.9 211 193 B R H > S+ 0 0 95 -2,-0.6 4,-2.0 -3,-0.4 -1,-0.1 0.749 79.9 54.1 -73.0 -22.6 28.6 47.0 35.4 212 194 B A H > S+ 0 0 17 2,-0.2 4,-2.4 -64,-0.2 5,-0.3 0.880 108.8 49.4 -71.8 -41.2 25.4 46.4 33.3 213 195 B K H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.927 114.1 45.5 -60.5 -44.9 26.5 49.1 30.9 214 196 B A H X S+ 0 0 9 -4,-2.0 4,-2.0 -9,-0.2 5,-0.2 0.903 111.9 52.4 -68.0 -43.9 30.0 47.6 30.7 215 197 B W H X S+ 0 0 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4,-0.2 0.769 86.9 43.2 -60.2 -32.3 15.2 41.4 -15.6 338 179 C D T 3> S+ 0 0 62 1,-0.2 4,-1.8 2,-0.1 3,-0.3 0.525 89.1 89.8 -90.5 -6.6 12.2 39.0 -15.7 339 180 C A H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.806 79.8 58.4 -66.1 -31.5 14.1 35.9 -14.4 340 181 C A H > S+ 0 0 34 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.910 107.1 48.9 -64.4 -41.6 13.5 36.5 -10.7 341 182 C R H > S+ 0 0 102 -3,-0.3 4,-2.7 -4,-0.2 5,-0.2 0.955 112.0 48.2 -56.6 -52.3 9.7 36.5 -11.3 342 183 C K H X S+ 0 0 26 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.906 109.5 54.3 -59.1 -38.9 9.9 33.2 -13.3 343 184 C A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 111.7 42.7 -62.3 -42.4 12.0 31.7 -10.7 344 185 C Q H X S+ 0 0 52 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.891 112.8 51.8 -75.3 -41.5 9.5 32.4 -7.9 345 186 C I H < S+ 0 0 15 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.931 112.4 46.3 -60.1 -47.6 6.5 31.4 -10.0 346 187 C L H >< S+ 0 0 0 -4,-2.8 3,-1.1 -5,-0.2 -2,-0.2 0.907 113.2 50.4 -61.3 -42.5 8.1 28.1 -10.9 347 188 C W H 3< S+ 0 0 23 -4,-2.2 -2,-0.2 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5,-0.7 0.890 114.0 52.4 -75.5 -40.1 11.4 20.8 -16.2 358 199 C D H X5S+ 0 0 17 -4,-2.3 6,-2.5 -5,-0.2 4,-1.1 0.899 115.8 42.5 -57.9 -40.9 8.4 21.7 -18.3 359 200 C W H X5S+ 0 0 31 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.962 120.8 39.1 -73.6 -47.5 9.6 25.3 -18.4 360 201 C X H <5S+ 0 0 2 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.747 128.7 28.2 -76.4 -27.0 13.3 24.5 -19.1 361 202 C R H <5S+ 0 0 30 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.787 135.4 24.1-104.4 -35.3 12.9 21.6 -21.5 362 203 C K H < S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.304 79.0 104.0 -92.8 13.8 13.8 30.9 -1.1 376 217 C V H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 80.1 50.4 -65.9 -40.3 14.8 32.5 -4.4 377 218 C A H > S+ 0 0 71 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.934 114.7 47.3 -61.1 -40.8 16.2 35.8 -2.9 378 219 C E H > S+ 0 0 67 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.928 112.5 45.8 -66.4 -47.8 18.2 33.6 -0.5 379 220 C T H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.859 112.4 52.3 -67.7 -32.0 19.6 31.2 -3.1 380 221 C T H X S+ 0 0 39 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.961 111.6 46.0 -63.9 -51.1 20.5 34.1 -5.4 381 222 C S H X S+ 0 0 67 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.886 112.9 51.4 -58.4 -41.4 22.4 35.8 -2.5 382 223 C L H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.905 106.9 52.2 -60.4 -47.4 24.0 32.4 -1.7 383 224 C G H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.4 0.910 113.5 45.0 -56.9 -42.5 25.1 31.9 -5.2 384 225 C E H ><5S+ 0 0 152 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.890 110.9 52.5 -67.0 -42.5 26.7 35.3 -5.1 385 226 C Q H 3<5S+ 0 0 57 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 104.6 57.2 -61.2 -37.8 28.3 34.7 -1.7 386 227 C F T 3<5S- 0 0 5 -4,-2.6 -1,-0.3 -261,-0.2 -2,-0.2 0.657 119.9-110.7 -69.6 -13.6 29.8 31.5 -3.1 387 228 C G T < 5 + 0 0 40 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.688 58.2 163.4 92.7 20.0 31.5 33.5 -5.8 388 229 C F < - 0 0 24 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.633 16.5-175.4 -80.7 120.7 29.5 32.1 -8.7 389 230 C N + 0 0 140 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.644 59.7 2.5 -92.7 -18.6 29.9 34.4 -11.6 390 231 C G S S- 0 0 29 -88,-0.0 14,-0.2 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-6.7 420 261 C Q 0 0 142 -4,-0.4 -22,-0.2 -3,-0.3 -1,-0.1 -0.916 360.0 360.0-125.7 156.2 33.8 11.2 -4.6 421 262 C E 0 0 91 -2,-0.3 -340,-0.1 -343,-0.1 -3,-0.1 -0.688 360.0 360.0 -91.2 360.0 37.0 13.2 -3.9