==== 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 OXIDOREDUCTASE 20-DEC-07 3BQE . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA/MSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR F.M.RANAIVOSON,B.KAUFFMANN,F.FAVIER . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 17.2 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 . 1 0.6 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 . 1 0.6 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 . 15 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 1 196 A M 0 0 159 0, 0.0 2,-0.7 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 142.3 27.0 19.7 8.0 2 197 A N - 0 0 99 2,-0.0 61,-2.8 0, 0.0 62,-0.6 -0.862 360.0-176.9 -97.7 113.1 24.8 17.8 10.4 3 198 A T E -A 62 0A 75 -2,-0.7 2,-0.3 59,-0.3 59,-0.2 -0.748 15.6-172.9-112.6 159.7 21.2 18.2 9.5 4 199 A R E -A 61 0A 90 57,-1.8 57,-2.7 -2,-0.3 2,-0.4 -0.945 14.8-141.3-141.7 156.7 17.9 17.1 11.0 5 200 A T E +A 60 0A 35 -2,-0.3 97,-0.3 55,-0.2 2,-0.3 -0.950 16.1 178.6-127.8 146.0 14.4 17.4 9.6 6 201 A I E -A 59 0A 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.5 -0.979 22.8-133.8-141.4 148.0 11.0 18.2 11.2 7 202 A Y E -AB 58 100A 25 93,-1.7 93,-2.7 -2,-0.3 2,-0.5 -0.936 23.1-170.9-111.1 121.6 7.6 18.5 9.6 8 203 A L E -AB 57 99A 0 49,-2.4 49,-2.9 -2,-0.5 2,-0.6 -0.945 11.5-170.2-119.5 128.2 5.4 21.5 10.7 9 204 A A E + B 0 98A 0 89,-2.8 89,-2.3 -2,-0.5 47,-0.2 -0.958 26.6 143.5-115.6 114.0 1.8 22.2 9.9 10 205 A G E - B 0 97A 0 -2,-0.6 2,-0.2 1,-0.5 87,-0.2 -0.129 65.8 -75.9-144.8 44.3 0.6 25.6 10.8 11 206 A G S S+ 0 0 0 85,-0.6 -1,-0.5 44,-0.4 85,-0.1 -0.619 102.4 18.9 99.2-159.9 -1.8 26.8 8.2 12 207 A C >> - 0 0 5 -2,-0.2 4,-1.2 75,-0.2 3,-0.7 -0.253 69.1-145.0 -48.0 115.9 -1.2 28.1 4.6 13 208 A F H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.701 88.2 75.9 -64.6 -16.8 2.3 26.8 3.9 14 209 A W H 3> S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 132,-0.3 0.946 103.4 37.8 -56.9 -48.4 3.3 29.9 1.8 15 210 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.879 117.2 49.8 -71.3 -38.8 3.7 32.0 5.0 16 211 A L H X S+ 0 0 1 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.893 111.2 49.7 -68.4 -40.0 5.2 29.2 7.1 17 212 A E H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.956 112.1 46.2 -62.9 -51.6 7.8 28.3 4.4 18 213 A A H X S+ 0 0 17 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.881 111.2 56.5 -58.6 -37.3 8.9 32.0 3.9 19 214 A Y H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.955 111.4 38.5 -59.5 -55.6 9.0 32.3 7.7 20 215 A F H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.791 105.9 68.6 -68.9 -27.6 11.5 29.4 8.3 21 216 A Q H 3< S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.787 98.5 50.4 -62.7 -28.4 13.5 30.2 5.2 22 217 A R T << S+ 0 0 128 -4,-1.0 2,-0.5 -3,-0.7 -1,-0.3 0.443 86.8 106.6 -91.2 1.6 14.8 33.5 6.7 23 218 A I S X S- 0 0 6 -3,-1.4 3,-2.2 -4,-0.2 2,-0.3 -0.686 75.9-120.4 -86.1 127.5 15.9 31.8 10.0 24 219 A D T 3 S+ 0 0 116 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.483 102.5 33.3 -64.8 123.4 19.7 31.4 10.5 25 220 A G T 3 S+ 0 0 8 1,-0.4 37,-3.3 -2,-0.3 2,-0.6 0.160 88.5 114.6 113.7 -17.2 20.3 27.7 10.9 26 221 A V E < -C 61 0A 21 -3,-2.2 -1,-0.4 35,-0.2 35,-0.3 -0.794 40.8-176.1 -90.0 121.4 17.5 26.6 8.5 27 222 A V E - 0 0 77 33,-2.5 2,-0.3 -2,-0.6 34,-0.2 0.887 64.0 -9.4 -82.5 -44.2 18.9 24.8 5.5 28 223 A D E -C 60 0A 79 32,-1.8 32,-2.8 2,-0.0 2,-0.4 -0.994 48.1-158.6-155.8 156.6 15.7 24.2 3.5 29 224 A A E -C 59 0A 2 -2,-0.3 2,-0.5 30,-0.2 115,-0.3 -0.938 14.3-171.9-142.1 114.3 11.9 24.5 3.8 30 225 A V E -C 58 0A 18 28,-2.2 28,-3.4 -2,-0.4 2,-0.3 -0.938 16.4-139.1-113.0 126.3 9.8 22.4 1.4 31 226 A S E +C 57 0A 0 -2,-0.5 107,-2.9 26,-0.2 2,-0.3 -0.616 41.9 131.5 -82.7 140.1 6.0 22.9 1.2 32 227 A G E -CD 56 137A 0 24,-3.0 24,-3.2 105,-0.3 2,-0.5 -0.903 54.3 -82.0-163.8-166.8 3.9 19.8 0.9 33 228 A Y E -CD 55 136A 0 103,-2.6 103,-1.9 -2,-0.3 2,-0.3 -0.973 44.1-172.9-120.6 123.6 1.0 17.6 2.0 34 229 A A E +CD 54 135A 0 20,-2.3 20,-2.5 -2,-0.5 101,-0.2 -0.860 51.6 6.4-123.7 156.0 1.4 15.4 5.0 35 230 A N S S+ 0 0 7 99,-2.3 -1,-0.2 -2,-0.3 2,-0.1 0.808 83.5 143.6 49.0 43.9 -0.5 12.7 6.9 36 231 A G - 0 0 7 2,-0.2 16,-0.3 -3,-0.2 -1,-0.1 -0.383 60.3-115.6-100.9-177.5 -3.4 12.3 4.4 37 232 A N S S+ 0 0 140 14,-3.9 2,-0.3 -2,-0.1 15,-0.1 0.425 90.2 57.0 -98.9 -2.3 -5.4 9.4 3.2 38 233 A T S S- 0 0 57 13,-0.4 2,-0.3 0, 0.0 -2,-0.2 -0.793 75.8-119.0-125.8 170.2 -4.3 9.5 -0.5 39 234 A K S S+ 0 0 154 -2,-0.3 -2,-0.0 1,-0.2 97,-0.0 -0.840 84.4 5.0-113.7 148.3 -1.1 9.3 -2.5 40 235 A N S S- 0 0 130 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.908 82.9-174.2 50.9 49.8 0.4 11.8 -4.8 41 236 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.428 13.7-140.4 -74.9 150.4 -2.3 14.5 -4.0 42 237 A S > - 0 0 34 -2,-0.1 4,-2.2 96,-0.1 5,-0.2 -0.553 31.9 -98.8-101.4 171.2 -2.4 17.7 -6.0 43 238 A Y H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 125.4 53.1 -56.9 -37.2 -3.1 21.2 -4.5 44 239 A E H >>S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.7 0.879 106.8 50.0 -67.0 -40.8 -6.7 20.7 -5.8 45 240 A D H >5S+ 0 0 46 3,-0.2 4,-2.0 2,-0.2 6,-0.5 0.956 114.7 44.0 -62.4 -49.9 -7.2 17.4 -4.1 46 241 A V H <5S+ 0 0 4 -4,-2.2 4,-0.3 1,-0.2 6,-0.2 0.895 118.0 44.4 -62.6 -41.5 -6.0 18.7 -0.8 47 242 A S H <5S+ 0 0 23 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.806 135.0 9.2 -75.8 -29.0 -8.0 21.9 -1.1 48 243 A Y H <5S+ 0 0 179 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.702 117.3 60.6-125.0 -27.8 -11.3 20.4 -2.3 49 244 A R S <> -A 3 0A 18 -37,-3.3 4,-2.9 -2,-0.3 3,-1.6 -0.671 28.0-158.6 -77.4 108.8 21.6 22.6 11.0 63 258 A A T 34 S+ 0 0 35 -61,-2.8 -1,-0.2 -2,-0.8 -60,-0.2 0.633 91.3 58.8 -65.3 -12.4 21.7 20.4 14.1 64 259 A D T 34 S+ 0 0 115 -62,-0.6 -1,-0.3 -39,-0.1 3,-0.1 0.631 115.9 32.2 -90.3 -14.9 24.9 22.1 15.2 65 260 A K T <4 S+ 0 0 105 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.789 123.7 32.0-105.1 -45.1 23.2 25.5 15.3 66 261 A L < - 0 0 8 -4,-2.9 -1,-0.3 -41,-0.2 2,-0.2 -0.906 64.5-144.0-121.9 146.3 19.6 24.8 16.3 67 262 A S > - 0 0 41 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.544 34.4-110.4 -95.9 167.6 18.0 22.2 18.5 68 263 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 122.8 59.8 -63.2 -36.0 14.6 20.7 17.6 69 264 A D H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 102.8 50.8 -57.5 -41.8 13.4 22.7 20.7 70 265 A D H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 108.4 50.9 -63.2 -46.4 14.5 25.9 19.0 71 266 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.886 109.2 52.2 -59.6 -38.5 12.7 25.1 15.8 72 267 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.872 106.6 52.7 -67.4 -35.4 9.5 24.4 17.9 73 268 A Q H X S+ 0 0 46 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.893 108.9 49.5 -66.7 -37.4 9.8 27.8 19.6 74 269 A Y H >X S+ 0 0 18 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.924 110.1 53.2 -64.0 -42.3 10.0 29.6 16.3 75 270 A F H >X S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-1.1 0.916 105.2 52.5 -57.6 -48.2 6.9 27.6 15.2 76 271 A F H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.673 97.3 68.8 -65.8 -17.0 4.9 28.7 18.3 77 272 A R H << S+ 0 0 70 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.794 113.8 24.4 -71.4 -28.8 5.6 32.3 17.5 78 273 A V H << S+ 0 0 21 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.472 107.0 77.5-118.6 -2.4 3.5 32.4 14.4 79 274 A V S < S- 0 0 5 -4,-1.1 -68,-0.1 77,-0.1 8,-0.0 -0.874 72.2-129.5-111.9 143.3 0.9 29.6 14.7 80 275 A D > - 0 0 62 -2,-0.4 3,-0.7 1,-0.1 6,-0.1 -0.812 22.1-169.0 -87.7 107.8 -2.3 29.7 16.8 81 276 A P T 3 S+ 0 0 0 0, 0.0 45,-2.5 0, 0.0 46,-0.7 0.287 76.0 59.5 -82.0 11.6 -2.0 26.4 18.7 82 277 A T T 3 S+ 0 0 27 43,-0.3 2,-0.5 44,-0.1 -2,-0.0 0.514 79.5 91.1-116.5 -8.4 -5.6 26.6 20.0 83 278 A S X - 0 0 16 -3,-0.7 3,-0.6 3,-0.1 2,-0.5 -0.793 67.5-138.8 -95.4 128.7 -7.7 26.7 16.8 84 279 A L T 3 S- 0 0 101 -2,-0.5 8,-0.1 1,-0.2 12,-0.1 -0.722 76.9 -13.7 -89.9 128.2 -8.9 23.3 15.5 85 280 A N T 3 S+ 0 0 50 -2,-0.5 7,-3.1 8,-0.1 2,-0.3 0.836 124.0 72.6 52.5 38.8 -8.9 22.8 11.7 86 281 A K E < -F 91 0B 80 -3,-0.6 2,-0.5 9,-0.3 5,-0.2 -0.869 57.5-157.8-176.8 141.4 -8.3 26.5 11.0 87 282 A Q E > S-F 90 0B 13 3,-2.0 3,-1.8 -2,-0.3 2,-0.7 -0.918 78.0 -55.5-125.0 98.4 -5.7 29.2 11.2 88 283 A G T 3 S- 0 0 59 -2,-0.5 -77,-0.0 1,-0.3 67,-0.0 -0.541 124.7 -12.6 70.0-112.0 -7.7 32.5 11.3 89 284 A N T 3 S+ 0 0 154 -2,-0.7 2,-1.1 -3,-0.1 -1,-0.3 0.535 110.9 98.6-101.1 -9.9 -9.9 32.4 8.2 90 285 A D E < -F 87 0B 29 -3,-1.8 -3,-2.0 5,-0.1 2,-0.4 -0.715 62.5-171.7 -80.4 102.5 -8.2 29.5 6.4 91 286 A T E +F 86 0B 90 -2,-1.1 -5,-0.2 -5,-0.2 2,-0.2 -0.817 28.9 67.1-106.9 140.5 -10.6 26.7 7.4 92 287 A G S > S- 0 0 19 -7,-3.1 3,-1.9 -2,-0.4 4,-0.0 -0.568 86.3 -80.2 136.9 159.8 -10.4 23.0 6.9 93 288 A T G > S+ 0 0 59 1,-0.3 3,-1.5 -2,-0.2 -8,-0.1 0.745 120.5 69.4 -62.4 -21.7 -8.4 19.9 8.0 94 289 A Q G 3 S+ 0 0 23 1,-0.3 -39,-3.4 -48,-0.2 -1,-0.3 0.669 100.0 49.4 -71.6 -11.6 -5.7 20.9 5.5 95 290 A Y G < S+ 0 0 29 -3,-1.9 -9,-0.3 -41,-0.2 -1,-0.3 0.216 82.7 130.2-108.9 13.3 -4.9 23.9 7.8 96 291 A R < - 0 0 24 -3,-1.5 -85,-0.6 -11,-0.2 2,-0.3 -0.291 58.4-117.7 -67.1 153.0 -4.7 21.9 11.0 97 292 A S E +B 10 0A 3 -14,-0.4 31,-2.0 -87,-0.2 2,-0.3 -0.674 49.5 131.7 -93.0 146.3 -1.7 22.5 13.3 98 293 A G E -Be 9 128A 0 -89,-2.3 -89,-2.8 -2,-0.3 2,-0.4 -0.964 46.0-129.3 179.6 164.5 0.7 19.7 14.1 99 294 A V E -Be 8 129A 0 29,-2.5 31,-1.7 -2,-0.3 2,-0.5 -0.999 24.7-163.4-130.2 124.5 4.3 18.5 14.4 100 295 A Y E -Be 7 130A 0 -93,-2.7 -93,-1.7 -2,-0.4 2,-0.3 -0.952 6.6-157.8-117.5 129.6 5.2 15.3 12.7 101 296 A Y E - e 0 131A 26 29,-1.3 31,-2.7 -2,-0.5 -95,-0.1 -0.701 24.5-161.6-108.0 156.5 8.3 13.3 13.5 102 297 A T S S+ 0 0 89 -97,-0.3 -1,-0.1 -2,-0.3 -96,-0.1 0.435 86.2 59.6-107.9 -6.4 10.5 10.7 11.7 103 298 A D S > S- 0 0 73 1,-0.1 3,-2.6 0, 0.0 4,-0.5 -0.974 74.2-145.4-127.9 115.9 12.2 9.6 14.9 104 299 A P T > S+ 0 0 101 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.787 98.2 66.8 -49.2 -31.5 10.0 8.2 17.8 105 300 A A T >> S+ 0 0 69 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.750 91.3 62.8 -63.4 -23.9 12.4 9.8 20.3 106 301 A E H <> S+ 0 0 9 -3,-2.6 4,-2.7 1,-0.2 3,-0.3 0.731 82.3 80.3 -74.4 -20.7 11.3 13.3 19.1 107 302 A K H <> S+ 0 0 99 -3,-1.3 4,-2.5 -4,-0.5 -1,-0.2 0.899 94.9 45.9 -50.7 -46.0 7.7 12.5 20.3 108 303 A A H <> S+ 0 0 67 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.3 0.811 109.5 54.4 -69.5 -31.7 8.8 13.4 23.9 109 304 A V H X S+ 0 0 40 -4,-0.6 4,-2.0 -3,-0.3 -2,-0.2 0.926 113.2 43.0 -67.5 -43.1 10.6 16.6 22.8 110 305 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.909 112.8 52.4 -68.2 -42.6 7.4 17.8 21.0 111 306 A A H X S+ 0 0 45 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.923 111.1 46.9 -60.2 -45.1 5.2 16.7 23.9 112 307 A A H X S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.899 111.3 51.5 -64.8 -40.8 7.3 18.6 26.4 113 308 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.924 111.1 47.5 -61.8 -43.9 7.4 21.7 24.1 114 309 A L H X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 109.4 54.6 -63.8 -40.2 3.6 21.7 23.8 115 310 A K H X S+ 0 0 130 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.909 110.8 45.0 -59.1 -44.4 3.3 21.3 27.6 116 311 A R H X S+ 0 0 100 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.873 111.9 51.5 -69.4 -36.8 5.5 24.4 28.1 117 312 A E H >< S+ 0 0 9 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.890 104.1 59.0 -66.5 -36.4 3.6 26.3 25.5 118 313 A Q H >< S+ 0 0 68 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.827 90.8 71.7 -60.1 -32.4 0.3 25.3 27.3 119 314 A Q H 3< S+ 0 0 159 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.805 102.9 41.2 -53.8 -32.3 1.6 27.0 30.4 120 315 A K T << S+ 0 0 141 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.378 103.2 80.8-100.7 5.2 1.1 30.4 28.7 121 316 A Y < - 0 0 72 -3,-1.7 4,-0.1 -4,-0.3 0, 0.0 -0.920 54.7-163.0-114.7 137.6 -2.3 29.6 27.1 122 317 A Q S S+ 0 0 203 -2,-0.4 -1,-0.1 2,-0.1 3,-0.0 0.861 80.1 67.7 -81.4 -37.9 -5.7 29.8 28.8 123 318 A L S S- 0 0 106 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.508 99.8-100.1 -81.4 148.8 -7.3 27.7 26.0 124 319 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.462 37.9-118.5 -69.8 138.6 -6.3 24.1 25.6 125 320 A L - 0 0 32 -2,-0.1 -43,-0.3 1,-0.1 -41,-0.0 -0.510 24.4-172.6 -75.3 146.0 -3.8 23.5 22.7 126 321 A V + 0 0 52 -45,-2.5 -44,-0.1 -2,-0.2 -1,-0.1 0.256 33.4 138.4-122.2 9.3 -4.9 21.2 19.9 127 322 A V - 0 0 16 -46,-0.7 -29,-0.3 1,-0.1 2,-0.2 -0.328 53.6-122.2 -59.0 132.8 -1.6 20.9 18.0 128 323 A E E -e 98 0A 53 -31,-2.0 -29,-2.5 -119,-0.1 2,-0.4 -0.512 22.4-169.0 -78.6 146.3 -1.1 17.3 16.7 129 324 A N E +e 99 0A 36 -31,-0.2 -29,-0.2 -2,-0.2 -31,-0.0 -0.851 37.2 125.7-135.9 92.1 2.1 15.4 17.8 130 325 A E E -e 100 0A 48 -31,-1.7 -29,-1.3 -2,-0.4 -2,-0.0 -0.943 61.9 -76.6-146.3 167.4 2.3 12.3 15.7 131 326 A P E -e 101 0A 59 0, 0.0 2,-1.2 0, 0.0 -29,-0.2 -0.273 51.4-103.6 -64.7 151.9 4.6 10.4 13.4 132 327 A L - 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