==== 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 ISOMERASE 03-DEC-07 3BJ5 . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.W.RUDDOCK,V.D.NGUYEN,R.K.WIERENGA,A.M.HAAPALAINEN . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 11.5 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 219 A L 0 0 161 0, 0.0 52,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.5 6.7 -2.7 3.6 2 220 A V E -a 53 0A 24 50,-0.1 2,-0.3 52,-0.0 52,-0.2 -0.998 360.0-161.5-123.6 126.6 8.7 0.4 3.2 3 221 A I E -a 54 0A 50 50,-2.0 52,-1.8 -2,-0.4 2,-0.5 -0.845 22.2-113.4-109.5 151.9 8.0 3.4 5.5 4 222 A E E -a 55 0A 80 -2,-0.3 2,-0.7 50,-0.2 52,-0.2 -0.688 26.5-143.0 -81.4 126.2 9.0 7.0 5.1 5 223 A F + 0 0 0 50,-3.6 52,-0.4 -2,-0.5 2,-0.3 -0.857 38.7 144.4 -92.5 113.4 11.5 8.2 7.8 6 224 A T > - 0 0 27 -2,-0.7 4,-1.5 50,-0.1 3,-0.2 -0.816 66.0 -95.4-130.4 176.3 10.8 11.8 8.9 7 225 A E T 4 S+ 0 0 47 -2,-0.3 3,-0.1 1,-0.2 56,-0.0 0.858 127.5 55.0 -62.1 -33.5 11.1 13.5 12.3 8 226 A Q T 4 S+ 0 0 179 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.850 117.0 34.6 -67.6 -34.7 7.4 12.8 12.8 9 227 A T T > S+ 0 0 50 -3,-0.2 4,-1.0 1,-0.1 -2,-0.2 0.497 90.0 95.1 -99.3 -6.7 7.9 9.0 12.1 10 228 A A H >X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 3,-0.7 0.878 84.8 50.6 -52.8 -46.0 11.4 8.6 13.7 11 229 A P H 3> S+ 0 0 36 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.957 110.2 50.1 -57.9 -50.0 10.0 7.4 17.1 12 230 A K H 34 S+ 0 0 187 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.679 113.3 49.0 -57.2 -20.9 7.8 4.8 15.4 13 231 A I H << S+ 0 0 5 -4,-1.0 3,-0.2 -3,-0.7 -1,-0.2 0.840 122.5 27.0 -91.6 -39.2 10.8 3.6 13.4 14 232 A F H < S+ 0 0 19 -4,-2.2 -2,-0.2 115,-0.3 -4,-0.1 0.651 111.3 69.0 -95.5 -20.5 13.4 3.2 16.3 15 233 A G S < S+ 0 0 55 -4,-3.0 -1,-0.1 -5,-0.4 -3,-0.1 0.329 86.1 93.4 -82.6 7.4 10.8 2.5 19.0 16 234 A G S S- 0 0 45 2,-0.2 -3,-0.1 -3,-0.2 -4,-0.0 0.019 87.6-104.1 -84.0-164.7 9.9 -0.9 17.4 17 235 A E S S+ 0 0 183 2,-0.0 2,-0.2 -2,-0.0 -1,-0.1 0.847 96.2 79.5 -92.7 -45.6 11.1 -4.4 18.0 18 236 A I - 0 0 52 1,-0.1 -2,-0.2 2,-0.0 32,-0.1 -0.482 57.3-172.1 -62.6 133.9 13.3 -4.9 15.0 19 237 A K + 0 0 73 -2,-0.2 66,-2.9 31,-0.2 2,-0.5 0.176 59.1 83.9-119.4 15.2 16.7 -3.1 15.5 20 238 A T E +B 84 0A 14 64,-0.2 32,-2.5 30,-0.2 2,-0.4 -0.988 56.4 174.8-116.8 129.2 18.2 -3.5 12.0 21 239 A H E -Bc 83 52A 2 62,-3.1 62,-3.5 -2,-0.5 2,-0.5 -0.988 23.9-152.6-133.3 136.9 17.2 -0.8 9.5 22 240 A I E -Bc 82 53A 0 30,-2.9 32,-2.5 -2,-0.4 2,-0.6 -0.966 19.0-159.6-108.5 133.8 18.2 -0.0 6.0 23 241 A L E -Bc 81 54A 0 58,-3.2 58,-2.0 -2,-0.5 2,-0.7 -0.934 7.5-161.1-118.1 119.9 17.8 3.6 5.1 24 242 A L E -Bc 80 55A 2 30,-2.6 32,-2.6 -2,-0.6 2,-0.9 -0.896 7.0-156.1-101.2 116.4 17.6 4.9 1.6 25 243 A F E +Bc 79 56A 0 54,-3.5 54,-1.8 -2,-0.7 32,-0.2 -0.824 25.4 173.9 -91.4 107.0 18.3 8.6 1.3 26 244 A L - 0 0 0 30,-2.8 32,-0.4 -2,-0.9 33,-0.3 -0.948 30.6-135.3-125.6 110.1 16.5 9.4 -1.9 27 245 A P > - 0 0 9 0, 0.0 3,-1.8 0, 0.0 30,-0.1 -0.437 14.5-139.5 -64.3 131.1 16.1 13.0 -3.2 28 246 A K T 3 S+ 0 0 118 1,-0.3 5,-0.2 -2,-0.1 6,-0.1 0.743 105.5 55.7 -61.7 -22.9 12.5 13.4 -4.3 29 247 A S T 3 S+ 0 0 91 4,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.505 80.2 120.4 -86.9 -6.1 13.9 15.3 -7.2 30 248 A V S < S- 0 0 27 -3,-1.8 3,-0.5 1,-0.1 2,-0.1 -0.203 79.9 -91.1 -52.3 147.6 16.2 12.4 -8.3 31 249 A S S S+ 0 0 96 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.431 109.0 8.2 -63.7 139.4 15.6 11.1 -11.9 32 250 A D S > S+ 0 0 112 3,-0.1 4,-2.2 -3,-0.1 -1,-0.2 0.955 75.6 174.5 52.3 64.6 13.0 8.3 -11.9 33 251 A Y H > S+ 0 0 36 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.931 76.5 49.8 -67.8 -45.6 12.1 8.6 -8.2 34 252 A D H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.831 109.4 54.9 -59.9 -35.8 9.3 6.0 -8.4 35 253 A G H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 109.9 43.9 -62.1 -49.9 11.7 3.7 -10.1 36 254 A K H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.941 114.9 49.4 -65.0 -44.9 14.3 3.9 -7.4 37 255 A L H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.938 109.1 52.9 -57.7 -47.4 11.7 3.6 -4.7 38 256 A S H X S+ 0 0 58 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.905 106.9 52.0 -53.3 -46.2 10.2 0.5 -6.4 39 257 A N H X S+ 0 0 57 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.915 110.5 48.5 -56.2 -43.3 13.6 -1.1 -6.5 40 258 A F H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.867 112.4 49.0 -65.8 -40.4 13.9 -0.5 -2.7 41 259 A K H X S+ 0 0 94 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.901 109.4 51.6 -64.6 -47.6 10.4 -1.9 -2.2 42 260 A T H >X S+ 0 0 68 -4,-3.1 3,-0.7 1,-0.2 4,-0.5 0.948 110.9 48.0 -53.3 -50.7 11.2 -5.0 -4.3 43 261 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.840 103.9 63.0 -58.3 -33.3 14.4 -5.6 -2.2 44 262 A A H >< S+ 0 0 6 -4,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.817 89.4 68.0 -63.0 -35.9 12.4 -5.2 1.1 45 263 A E H X< S+ 0 0 127 -4,-1.2 3,-0.7 -3,-0.7 -1,-0.3 0.774 94.9 56.8 -56.1 -31.6 10.2 -8.2 0.3 46 264 A S T << S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.523 109.7 43.9 -78.8 -6.8 13.2 -10.5 0.8 47 265 A F T X> S+ 0 0 2 -3,-1.9 3,-2.5 -4,-0.2 4,-2.3 0.146 71.0 156.8-130.1 20.7 13.9 -9.3 4.3 48 266 A K T <4 S+ 0 0 149 -3,-0.7 4,-0.1 1,-0.3 -3,-0.1 -0.253 77.4 8.7 -51.1 125.7 10.6 -9.1 6.0 49 267 A G T 34 S+ 0 0 65 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.398 125.7 65.1 83.2 -1.6 11.0 -9.4 9.8 50 268 A K T <4 S+ 0 0 128 -3,-2.5 2,-0.4 1,-0.4 -30,-0.2 0.711 108.0 19.9-116.1 -46.5 14.8 -9.1 9.6 51 269 A I < - 0 0 5 -4,-2.3 2,-0.5 -7,-0.2 -1,-0.4 -0.997 69.5-139.6-132.7 128.2 15.5 -5.7 8.2 52 270 A L E - c 0 21A 51 -32,-2.5 -30,-2.9 -2,-0.4 2,-0.5 -0.776 19.2-145.4 -86.6 127.1 13.1 -2.7 8.3 53 271 A F E +ac 2 22A 2 -52,-0.7 -50,-2.0 -2,-0.5 2,-0.3 -0.823 26.7 165.7 -96.7 126.9 13.3 -0.7 5.1 54 272 A A E -ac 3 23A 0 -32,-2.5 -30,-2.6 -2,-0.5 2,-0.3 -0.982 19.3-152.7-138.9 147.7 12.8 3.1 5.4 55 273 A F E -ac 4 24A 21 -52,-1.8 -50,-3.6 -2,-0.3 2,-0.5 -0.919 2.3-153.8-124.1 149.3 13.4 6.0 3.0 56 274 A I E - c 0 25A 0 -32,-2.6 -30,-2.8 -2,-0.3 2,-1.0 -0.990 19.6-132.1-119.7 126.5 14.2 9.6 3.7 57 275 A D > - 0 0 7 -2,-0.5 3,-1.3 -52,-0.4 6,-0.2 -0.736 23.1-167.4 -72.8 102.7 13.4 12.4 1.2 58 276 A S T 3 S+ 0 0 1 -2,-1.0 -1,-0.2 -32,-0.4 16,-0.1 0.713 80.4 62.1 -75.9 -18.1 16.8 14.1 1.3 59 277 A D T 3 S+ 0 0 61 -33,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.655 80.2 102.5 -70.0 -21.1 15.5 17.2 -0.5 60 278 A H X - 0 0 86 -3,-1.3 3,-1.9 1,-0.1 4,-0.1 -0.581 68.6-143.9 -79.8 124.3 13.1 17.9 2.4 61 279 A T G > S+ 0 0 95 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.777 97.0 58.3 -54.9 -38.5 14.3 20.7 4.6 62 280 A D G 3 S+ 0 0 107 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.582 95.4 67.0 -70.9 -11.5 12.9 19.2 7.9 63 281 A N G <> S+ 0 0 1 -3,-1.9 4,-2.8 -6,-0.2 -1,-0.3 0.310 70.7 102.5 -87.5 4.4 15.0 16.1 7.3 64 282 A Q H <> S+ 0 0 108 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.864 80.1 47.6 -57.3 -46.8 18.3 18.1 7.8 65 283 A R H > S+ 0 0 93 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.918 112.1 51.4 -61.2 -43.1 19.0 16.8 11.3 66 284 A I H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.969 112.7 46.3 -56.2 -52.2 18.3 13.2 10.1 67 285 A L H ><>S+ 0 0 9 -4,-2.8 5,-2.1 1,-0.2 3,-0.6 0.952 113.9 47.0 -50.4 -55.3 20.8 13.8 7.2 68 286 A E H ><5S+ 0 0 151 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.871 108.7 55.8 -60.5 -41.4 23.5 15.3 9.5 69 287 A F H 3<5S+ 0 0 12 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.832 110.4 43.6 -61.3 -38.6 23.1 12.6 12.0 70 288 A F T <<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.265 120.5-109.7 -93.5 9.1 23.8 9.8 9.5 71 289 A G T < 5S+ 0 0 48 -3,-1.3 2,-0.4 -4,-0.2 -3,-0.2 0.824 72.2 128.7 75.1 37.9 26.6 11.8 8.1 72 290 A L < - 0 0 8 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.958 44.3-150.7-130.0 144.8 25.2 12.9 4.7 73 291 A K > - 0 0 129 -2,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.791 35.0-110.6-102.2 154.2 24.8 16.1 2.7 74 292 A K G > S+ 0 0 128 -2,-0.3 3,-1.8 1,-0.3 -16,-0.1 0.882 117.8 55.3 -48.0 -48.1 21.9 16.6 0.1 75 293 A E G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -17,-0.0 -3,-0.0 0.614 101.0 60.7 -65.0 -15.9 24.3 16.5 -2.8 76 294 A E G < S+ 0 0 89 -3,-2.0 -1,-0.3 3,-0.0 -2,-0.2 0.504 92.4 129.7 -86.2 -11.1 25.7 13.1 -1.7 77 295 A C < + 0 0 14 -3,-1.8 -51,-0.1 -4,-0.5 2,-0.1 -0.619 28.1 67.5 -90.8 157.2 22.3 11.4 -2.0 78 296 A P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 -52,-0.2 0.388 78.2 143.4 -73.8 144.8 20.8 9.1 -3.1 79 297 A A E -B 25 0A 10 -54,-1.8 -54,-3.5 -2,-0.1 2,-0.4 -0.988 40.5-138.3-150.2 150.7 22.7 6.8 -0.7 80 298 A V E +B 24 0A 6 -2,-0.3 2,-0.4 -56,-0.2 -56,-0.2 -0.931 18.6 176.8-113.4 139.2 22.0 3.7 1.4 81 299 A R E -B 23 0A 26 -58,-2.0 -58,-3.2 -2,-0.4 2,-0.5 -0.993 18.0-148.9-137.2 131.6 23.1 3.1 5.0 82 300 A L E -BD 22 92A 0 10,-2.1 10,-2.4 -2,-0.4 2,-0.4 -0.906 19.4-163.6-101.3 130.6 22.2 0.0 7.1 83 301 A I E -BD 21 91A 0 -62,-3.5 -62,-3.1 -2,-0.5 2,-0.4 -0.929 9.8-162.8-120.7 134.9 21.9 0.8 10.8 84 302 A T E -BD 20 90A 16 6,-2.3 6,-2.1 -2,-0.4 -64,-0.2 -0.965 8.4-177.5-114.7 139.4 21.9 -1.6 13.8 85 303 A L + 0 0 22 -66,-2.9 2,-0.8 -2,-0.4 -65,-0.1 0.264 39.2 127.1-118.4 7.4 20.6 -0.6 17.2 86 304 A E S S- 0 0 127 -67,-0.4 -1,-0.1 2,-0.1 2,-0.1 -0.776 98.5 -46.3-102.1 89.1 21.3 -3.8 19.2 87 305 A E S S+ 0 0 156 -2,-0.8 2,-0.3 -3,-0.0 -1,-0.1 -0.928 129.0 32.2-133.2 -23.7 22.7 -2.2 20.9 88 306 A E S S- 0 0 132 -2,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.651 91.8 -93.9 -74.2 149.0 25.3 0.6 20.4 89 307 A M + 0 0 16 32,-0.3 32,-2.9 -2,-0.3 2,-0.4 -0.549 50.3 179.9 -75.0 121.3 24.5 2.4 17.1 90 308 A T E -DE 84 120A 14 -6,-2.1 -6,-2.3 -2,-0.4 2,-0.4 -0.975 13.4-154.1-128.1 139.9 26.4 1.0 14.1 91 309 A K E -DE 83 119A 43 28,-2.1 28,-1.2 -2,-0.4 2,-0.3 -0.875 6.1-165.5-118.5 136.6 26.4 2.1 10.4 92 310 A Y E -DE 82 118A 36 -10,-2.4 -10,-2.1 -2,-0.4 19,-0.0 -0.945 6.3-152.4-125.9 143.9 27.2 -0.0 7.4 93 311 A K - 0 0 110 24,-0.5 24,-0.2 -2,-0.3 -12,-0.1 -0.928 17.4-120.8-119.0 137.6 27.9 1.1 3.8 94 312 A P - 0 0 19 0, 0.0 10,-0.1 0, 0.0 -14,-0.0 -0.336 19.7-124.2 -71.2 159.6 27.4 -0.8 0.5 95 313 A E S S+ 0 0 151 1,-0.1 2,-0.3 -2,-0.0 -2,-0.0 0.900 93.7 37.5 -68.7 -43.0 30.2 -1.5 -1.9 96 314 A S - 0 0 32 2,-0.1 -1,-0.1 7,-0.1 11,-0.0 -0.804 69.9-136.9-113.2 152.8 28.5 0.2 -4.8 97 315 A E + 0 0 146 -2,-0.3 -1,-0.1 -18,-0.1 2,-0.0 0.506 67.2 125.4 -76.2 -5.5 26.3 3.3 -5.2 98 316 A E - 0 0 115 1,-0.1 -2,-0.1 5,-0.1 -3,-0.0 -0.337 47.4-161.8 -67.1 136.0 24.1 1.3 -7.5 99 317 A L + 0 0 18 4,-0.1 -1,-0.1 5,-0.0 -59,-0.1 0.005 39.1 132.2-115.6 21.9 20.5 1.3 -6.3 100 318 A T > - 0 0 63 1,-0.1 4,-2.4 -61,-0.1 5,-0.2 -0.362 69.9-112.3 -69.5 156.8 19.0 -1.6 -8.2 101 319 A A H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 118.4 53.5 -56.6 -39.3 16.9 -4.2 -6.3 102 320 A E H > S+ 0 0 169 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 110.4 44.1 -63.0 -48.2 19.7 -6.7 -6.9 103 321 A R H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.857 114.6 49.0 -68.9 -35.6 22.5 -4.6 -5.4 104 322 A I H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 113.0 49.0 -67.1 -40.3 20.4 -3.5 -2.4 105 323 A T H X S+ 0 0 27 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.891 110.9 48.5 -65.7 -43.7 19.5 -7.2 -1.8 106 324 A E H X S+ 0 0 99 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.939 108.7 54.8 -63.8 -44.9 23.1 -8.3 -2.1 107 325 A F H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 110.4 46.8 -49.5 -47.9 24.1 -5.5 0.3 108 326 A C H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.855 112.9 47.4 -69.0 -39.6 21.6 -6.8 2.8 109 327 A H H X S+ 0 0 71 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.923 111.0 51.5 -62.5 -49.6 22.7 -10.5 2.4 110 328 A R H <>S+ 0 0 60 -4,-3.2 5,-3.1 1,-0.2 6,-0.4 0.922 110.5 50.0 -52.6 -46.7 26.3 -9.5 2.8 111 329 A F H ><5S+ 0 0 27 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.896 110.6 48.5 -60.1 -42.1 25.4 -7.7 6.0 112 330 A L H 3<5S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.0 53.9 -68.3 -31.6 23.5 -10.7 7.4 113 331 A E T 3<5S- 0 0 113 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.463 120.0-114.3 -78.2 -2.6 26.4 -12.9 6.5 114 332 A G T < 5S+ 0 0 63 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.693 78.4 127.9 76.1 24.9 28.6 -10.5 8.5 115 333 A K < + 0 0 112 -5,-3.1 2,-0.3 -6,-0.2 -4,-0.2 0.552 41.3 92.9 -87.8 -10.5 30.6 -9.3 5.5 116 334 A I S S- 0 0 19 -6,-0.4 -9,-0.0 -5,-0.1 -24,-0.0 -0.639 78.9-112.9 -96.6 144.2 30.3 -5.5 5.8 117 335 A K - 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