==== 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 HYDROLASE 14-MAY-08 3D4I . COMPND 2 MOLECULE: STS-2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.CHEN,N.CARPINO,N.NASSAR . 1065 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 57 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 11 5 6 0 2 2 0 0 0 0 4 1 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 0 4 4 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 . 12 0 0 2 6 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 4 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 1 350 A A 0 0 117 0, 0.0 7,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.9 -35.7 143.2 -19.1 2 351 A M + 0 0 177 5,-0.1 2,-0.1 4,-0.1 5,-0.0 0.228 360.0 116.9-104.6 10.3 -37.8 141.3 -21.7 3 352 A G S >> S- 0 0 35 1,-0.1 4,-2.4 2,-0.0 3,-1.2 -0.451 78.9-111.9 -76.6 154.1 -34.9 139.5 -23.3 4 353 A S T 34 S+ 0 0 85 1,-0.3 240,-0.1 2,-0.2 -1,-0.1 0.836 119.0 39.0 -54.9 -37.8 -34.7 135.7 -23.2 5 354 A A T 34 S+ 0 0 90 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.460 119.2 47.8 -91.9 -3.8 -31.6 135.8 -20.9 6 355 A T T <4 S+ 0 0 89 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.672 80.1 106.7-110.5 -24.8 -32.8 138.8 -18.8 7 356 A I S < S- 0 0 44 -4,-2.4 -5,-0.1 1,-0.1 236,-0.1 -0.275 79.5-105.3 -57.0 139.2 -36.4 137.8 -18.0 8 357 A S - 0 0 73 -7,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.336 35.4-136.2 -68.7 151.9 -36.8 136.7 -14.3 9 358 A R - 0 0 75 185,-0.1 233,-0.1 -3,-0.1 2,-0.1 -0.919 13.5-113.0-119.0 136.9 -37.2 133.0 -13.7 10 359 A R - 0 0 5 -2,-0.4 231,-2.5 231,-0.4 2,-0.3 -0.403 39.6-158.3 -56.8 135.7 -39.5 131.1 -11.4 11 360 A G E -aB 196 240A 0 184,-2.4 186,-2.7 229,-0.2 2,-0.4 -0.913 20.4-162.1-125.3 150.2 -37.6 129.4 -8.5 12 361 A I E -aB 197 239A 0 227,-2.6 227,-2.7 -2,-0.3 2,-0.6 -0.993 13.0-170.4-127.2 119.3 -38.2 126.5 -6.1 13 362 A L E -aB 198 238A 0 184,-2.5 186,-2.6 -2,-0.4 2,-0.5 -0.946 6.2-159.5-119.4 108.3 -35.9 126.5 -3.1 14 363 A V E -aB 199 237A 0 223,-2.9 223,-2.1 -2,-0.6 2,-0.4 -0.804 14.2-172.0 -95.4 129.1 -36.1 123.4 -1.0 15 364 A I E -aB 200 236A 0 184,-2.7 186,-2.7 -2,-0.5 221,-0.2 -0.988 18.9-133.3-131.2 127.2 -34.8 124.0 2.5 16 365 A R E -a 201 0A 32 219,-2.5 218,-0.9 -2,-0.4 186,-0.2 -0.523 35.6-104.4 -77.7 142.7 -34.1 121.5 5.4 17 366 A H - 0 0 4 184,-1.8 217,-0.9 -2,-0.2 218,-0.3 -0.159 41.6 -97.8 -58.9 160.6 -35.5 122.4 8.8 18 367 A G - 0 0 0 81,-0.5 53,-0.2 215,-0.2 -1,-0.1 -0.056 62.9 -50.5 -70.6 177.8 -33.1 123.7 11.5 19 368 A E - 0 0 1 51,-0.1 49,-2.3 48,-0.1 2,-0.3 -0.254 58.0-139.2 -55.7 131.1 -31.5 121.7 14.3 20 369 A R B >> -G 67 0B 51 47,-0.3 3,-1.7 -3,-0.1 4,-0.9 -0.732 14.2-124.3 -95.2 142.5 -34.1 119.6 16.2 21 370 A V H >> S+ 0 0 0 45,-2.3 4,-2.5 -2,-0.3 3,-0.7 0.873 109.9 56.1 -56.1 -37.8 -33.9 119.3 20.0 22 371 A D H 3> S+ 0 0 36 44,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.657 94.8 66.1 -72.6 -13.6 -33.8 115.5 19.9 23 372 A Q H <4 S+ 0 0 111 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.854 115.3 30.2 -69.4 -36.1 -30.8 115.5 17.6 24 373 A V H << S+ 0 0 32 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.889 129.6 34.7 -86.2 -48.0 -28.8 117.0 20.4 25 374 A F H < S- 0 0 3 -4,-2.5 3,-0.3 1,-0.2 -3,-0.2 0.558 103.0-135.0 -95.7 -7.9 -30.4 115.7 23.6 26 375 A G >< - 0 0 30 -4,-1.1 3,-1.8 -5,-0.3 -1,-0.2 -0.200 43.8 -42.0 86.3-175.4 -31.4 112.2 22.2 27 376 A K T 3 S+ 0 0 94 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.777 132.6 57.6 -65.4 -24.1 -34.5 110.1 22.4 28 377 A S T >> S+ 0 0 5 -3,-0.3 4,-1.7 1,-0.2 3,-0.5 0.261 70.5 115.4 -84.8 9.4 -35.1 111.0 26.1 29 378 A W H <> S+ 0 0 5 -3,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.849 71.9 53.8 -50.5 -42.9 -35.2 114.8 25.4 30 379 A L H 34 S+ 0 0 8 -3,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.898 108.2 48.2 -65.5 -39.1 -38.9 115.1 26.5 31 380 A Q H X4 S+ 0 0 25 -3,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.819 106.6 59.8 -68.7 -30.4 -38.3 113.5 29.9 32 381 A Q H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 111.1 39.2 -61.1 -33.5 -35.3 115.8 30.4 33 382 A C T 3< S+ 0 0 0 -4,-1.1 8,-2.1 -3,-0.4 2,-0.5 0.151 95.0 94.5-112.1 19.7 -37.5 118.9 30.1 34 383 A T B < -H 40 0C 29 -3,-0.9 6,-0.2 6,-0.2 984,-0.2 -0.954 67.0-139.0-114.4 122.6 -40.6 117.8 32.0 35 384 A T > - 0 0 34 4,-3.0 3,-2.5 -2,-0.5 -2,-0.1 -0.267 33.2 -97.2 -74.0 168.5 -40.8 118.7 35.7 36 385 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 981,-0.1 0.808 128.8 51.3 -54.7 -29.4 -42.1 116.3 38.4 37 386 A D T 3 S- 0 0 129 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.231 124.3-103.4 -94.2 11.2 -45.5 118.1 38.0 38 387 A G S < S+ 0 0 38 -3,-2.5 20,-0.3 1,-0.3 2,-0.3 0.610 75.2 134.0 86.0 13.7 -45.6 117.7 34.2 39 388 A K - 0 0 127 1,-0.1 -4,-3.0 19,-0.0 2,-0.3 -0.662 57.9-106.8 -98.7 153.9 -44.6 121.2 33.1 40 389 A Y B +H 34 0C 51 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.550 44.4 161.0 -74.3 135.9 -42.1 122.3 30.5 41 390 A Y - 0 0 76 -8,-2.1 9,-0.0 -2,-0.3 8,-0.0 -0.950 40.2-110.6-144.7 168.9 -38.8 123.8 31.7 42 391 A R + 0 0 34 -2,-0.3 745,-0.1 1,-0.1 -9,-0.1 -0.872 26.3 176.4-105.4 106.0 -35.3 124.3 30.1 43 392 A P S S+ 0 0 14 0, 0.0 745,-0.4 0, 0.0 2,-0.3 0.573 80.3 22.6 -79.4 -6.6 -32.6 122.1 31.5 44 393 A D S > S- 0 0 0 743,-0.2 3,-1.8 4,-0.1 745,-0.2 -0.966 84.7-115.7-154.1 149.4 -30.1 123.5 28.9 45 394 A L T 3 S+ 0 0 11 743,-3.0 744,-0.2 -2,-0.3 4,-0.1 0.677 109.7 69.5 -70.0 -13.0 -30.2 126.8 27.0 46 395 A N T 3 S+ 0 0 0 742,-0.3 23,-2.3 23,-0.1 24,-0.3 0.574 78.9 90.0 -83.2 -8.7 -30.6 124.9 23.7 47 396 A F S < S- 0 0 0 -3,-1.8 21,-0.1 21,-0.2 -5,-0.1 -0.688 95.2-102.8 -72.0 140.7 -34.1 123.8 24.7 48 397 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.254 23.6-110.3 -69.2 160.2 -36.4 126.5 23.4 49 398 A R S S- 0 0 131 1,-0.1 2,-0.3 -4,-0.1 -7,-0.1 0.835 94.6 -4.0 -56.1 -35.9 -37.9 129.2 25.7 50 399 A S - 0 0 80 -9,-0.0 -1,-0.1 -8,-0.0 -9,-0.0 -0.964 62.5-125.3-152.1 162.5 -41.4 127.6 25.3 51 400 A L - 0 0 27 -2,-0.3 3,-0.1 -3,-0.0 -11,-0.1 -0.902 42.1 -99.4-106.9 145.8 -43.4 124.9 23.6 52 401 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 94,-0.1 -0.286 45.4 -93.1 -57.6 144.4 -46.6 125.8 21.6 53 402 A R - 0 0 190 92,-0.2 2,-0.3 93,-0.1 96,-0.2 -0.446 61.2-174.7 -57.2 129.7 -50.0 125.3 23.2 54 403 A R > - 0 0 25 -2,-0.1 3,-0.8 -3,-0.1 2,-0.2 -0.852 30.6-101.8-134.0 158.6 -50.9 121.8 22.2 55 404 A S T 3 S+ 0 0 40 -2,-0.3 5,-0.3 1,-0.2 0, 0.0 -0.609 108.1 18.0 -74.7 146.1 -53.7 119.2 22.3 56 405 A N T > S- 0 0 121 -2,-0.2 3,-0.7 3,-0.1 -1,-0.2 0.699 115.8-102.7 63.0 24.3 -53.1 116.4 24.9 57 406 A G G X S- 0 0 43 -3,-0.8 3,-1.0 1,-0.2 4,-0.2 -0.156 72.7 -25.2 64.8-156.1 -50.6 118.6 26.7 58 407 A I G > S+ 0 0 36 -20,-0.3 3,-1.4 1,-0.2 4,-0.2 0.688 119.4 79.6 -62.5 -25.3 -46.8 118.2 26.6 59 408 A K G X S+ 0 0 106 -3,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.695 78.6 67.0 -65.6 -22.6 -46.9 114.5 25.7 60 409 A D G X S+ 0 0 17 -3,-1.0 3,-0.6 -5,-0.3 -1,-0.3 0.660 84.4 72.1 -75.1 -15.3 -47.7 114.9 21.9 61 410 A F G X S+ 0 0 4 -3,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.678 70.5 97.1 -69.7 -17.2 -44.2 116.5 21.3 62 411 A E G < S+ 0 0 62 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.860 100.6 18.7 -32.3 -58.0 -42.8 112.9 21.8 63 412 A N G < S+ 0 0 42 -3,-0.6 -1,-0.3 1,-0.2 70,-0.2 0.256 126.1 55.6-105.7 8.9 -42.8 112.3 18.0 64 413 A D S < S- 0 0 4 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 -0.556 76.4-173.0-143.5 65.0 -42.9 115.9 16.8 65 414 A P - 0 0 0 0, 0.0 34,-0.6 0, 0.0 3,-0.1 -0.284 17.9-121.6 -74.0 151.3 -40.0 117.7 18.4 66 415 A P - 0 0 0 0, 0.0 -45,-2.3 0, 0.0 -44,-0.3 -0.276 35.6 -86.0 -78.8 169.9 -39.4 121.5 18.2 67 416 A L B -G 20 0B 0 -47,-0.2 -47,-0.3 31,-0.1 -48,-0.1 -0.492 45.0-121.8 -66.2 145.6 -36.4 123.3 16.9 68 417 A S > - 0 0 0 -49,-2.3 4,-2.1 -2,-0.1 -21,-0.2 -0.327 33.4 -97.2 -72.0 170.1 -33.6 123.8 19.4 69 418 A S H > S+ 0 0 11 -23,-2.3 4,-2.0 1,-0.2 -23,-0.1 0.892 130.4 51.0 -55.2 -39.5 -32.4 127.3 20.2 70 419 A C H > S+ 0 0 0 -24,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.903 106.3 53.9 -67.6 -39.7 -29.6 126.7 17.7 71 420 A G H > S+ 0 0 0 -52,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.888 108.1 50.5 -59.4 -41.0 -32.1 125.5 15.0 72 421 A I H X S+ 0 0 28 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.915 110.2 49.8 -61.6 -46.8 -34.0 128.8 15.5 73 422 A F H X S+ 0 0 20 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 110.9 49.6 -55.5 -46.7 -30.7 130.7 15.1 74 423 A Q H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.923 112.1 47.7 -61.0 -43.9 -30.0 128.8 11.9 75 424 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 113.9 46.4 -64.3 -45.2 -33.4 129.5 10.4 76 425 A R H X S+ 0 0 107 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.874 110.5 53.0 -64.2 -40.1 -33.3 133.2 11.2 77 426 A L H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 110.6 47.4 -62.6 -46.0 -29.7 133.5 9.8 78 427 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.903 111.6 50.3 -56.9 -46.8 -30.9 131.9 6.5 79 428 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 110.4 50.1 -59.8 -45.3 -34.0 134.2 6.4 80 429 A E H X S+ 0 0 47 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.897 110.1 49.9 -59.0 -42.6 -31.7 137.3 7.0 81 430 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 108.7 53.1 -63.7 -42.3 -29.4 136.1 4.2 82 431 A L H X>S+ 0 0 1 -4,-2.5 5,-0.6 2,-0.2 4,-0.6 0.926 109.6 48.3 -57.3 -46.3 -32.4 135.7 1.9 83 432 A L H ><5S+ 0 0 70 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.946 111.3 50.5 -54.3 -50.8 -33.4 139.3 2.7 84 433 A D H 3<5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.833 102.6 61.5 -57.5 -35.8 -29.9 140.5 2.0 85 434 A S H 3<5S- 0 0 46 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.648 99.8-134.6 -69.0 -17.5 -29.8 138.7 -1.3 86 435 A G T <<5 + 0 0 65 -3,-1.5 -3,-0.1 -4,-0.6 -2,-0.1 0.441 49.6 151.3 77.6 -0.4 -32.7 140.8 -2.7 87 436 A V < - 0 0 43 -5,-0.6 2,-0.7 167,-0.1 -1,-0.2 -0.269 49.2-116.6 -64.6 152.0 -34.6 137.8 -4.1 88 437 A R - 0 0 165 106,-0.1 108,-3.2 109,-0.0 2,-0.5 -0.821 25.9-164.6 -92.4 110.1 -38.4 137.9 -4.4 89 438 A V E +c 196 0A 9 -2,-0.7 108,-0.2 106,-0.2 3,-0.1 -0.871 15.5 168.3 -95.2 126.5 -40.1 135.2 -2.3 90 439 A T E + 0 0 26 106,-2.3 2,-0.3 -2,-0.5 107,-0.2 0.503 57.5 12.9-116.2 -14.2 -43.7 134.7 -3.3 91 440 A A E -c 197 0A 8 105,-1.1 107,-3.0 26,-0.1 2,-0.4 -0.983 53.2-156.5-162.9 152.5 -44.9 131.5 -1.5 92 441 A V E -cd 198 119A 1 26,-0.5 28,-2.9 -2,-0.3 2,-0.4 -0.980 5.8-175.2-143.0 128.1 -44.0 129.1 1.2 93 442 A F E -cd 199 120A 1 105,-2.8 107,-3.0 -2,-0.4 2,-0.4 -0.911 12.3-170.8-112.6 143.1 -45.0 125.5 1.7 94 443 A A E -cd 200 121A 0 26,-2.3 28,-2.7 -2,-0.4 107,-0.2 -0.998 28.5-109.7-136.0 145.1 -44.0 123.5 4.8 95 444 A S - 0 0 0 105,-2.2 6,-0.3 -2,-0.4 5,-0.1 -0.372 38.6-115.3 -54.9 143.2 -44.2 119.9 6.0 96 445 A P S S+ 0 0 2 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 0.630 82.8 114.2 -64.6 -12.8 -46.7 119.6 8.8 97 446 A A S >> S- 0 0 0 1,-0.1 4,-2.5 43,-0.1 3,-0.7 -0.328 75.7-126.5 -57.1 137.0 -43.8 118.6 11.3 98 447 A L H 3> S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.909 108.9 56.8 -53.4 -47.9 -43.4 121.3 13.9 99 448 A R H 3> S+ 0 0 1 -34,-0.6 4,-1.7 1,-0.2 -81,-0.5 0.832 110.7 45.1 -54.6 -35.1 -39.7 121.7 13.1 100 449 A C H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.924 112.5 47.7 -77.3 -48.6 -40.6 122.5 9.5 101 450 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -6,-0.3 -2,-0.2 0.897 114.1 50.0 -58.6 -37.7 -43.4 124.9 10.3 102 451 A Q H X S+ 0 0 17 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.925 109.1 50.1 -65.4 -45.4 -41.1 126.7 12.8 103 452 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.936 111.3 50.6 -56.6 -47.0 -38.2 126.9 10.3 104 453 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 110.3 48.7 -57.8 -48.6 -40.7 128.4 7.8 105 454 A K H X S+ 0 0 35 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 111.6 48.8 -58.0 -47.4 -42.0 131.0 10.4 106 455 A H H X S+ 0 0 16 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.914 111.1 49.6 -66.1 -40.5 -38.4 132.1 11.4 107 456 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.956 113.0 47.5 -57.4 -51.0 -37.3 132.5 7.8 108 457 A L H X>S+ 0 0 2 -4,-2.4 5,-2.5 2,-0.2 6,-0.8 0.843 108.2 54.9 -60.1 -38.3 -40.4 134.6 7.0 109 458 A E H ><5S+ 0 0 48 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.930 111.0 44.8 -62.3 -42.1 -40.0 136.8 10.1 110 459 A E H 3<5S+ 0 0 59 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.763 111.6 52.6 -75.0 -25.8 -36.4 137.7 9.0 111 460 A L H 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.552 110.4-126.3 -75.6 -13.5 -37.6 138.3 5.4 112 461 A K T <<5S+ 0 0 149 -3,-0.8 -3,-0.2 -4,-0.6 3,-0.1 0.730 84.5 107.6 67.3 29.2 -40.3 140.7 6.9 113 462 A L >< + 0 0 31 -5,-2.5 4,-2.9 -6,-0.2 3,-0.2 0.257 32.6 109.8-116.7 8.1 -42.9 138.6 5.0 114 463 A E T 4 S+ 0 0 64 -6,-0.8 5,-0.1 1,-0.2 -5,-0.1 0.764 88.5 36.7 -64.5 -26.9 -44.6 136.8 8.0 115 464 A K T 4 S+ 0 0 178 -7,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.665 118.2 51.9 -94.5 -20.5 -47.8 138.8 7.7 116 465 A K T 4 S+ 0 0 157 -3,-0.2 2,-0.5 1,-0.2 -2,-0.2 0.916 110.3 45.3 -79.8 -47.7 -47.8 139.0 3.9 117 466 A L S < S- 0 0 21 -4,-2.9 2,-0.4 -9,-0.1 -1,-0.2 -0.860 72.8-145.9-105.5 132.4 -47.3 135.3 3.1 118 467 A K - 0 0 87 -2,-0.5 -26,-0.5 -3,-0.1 2,-0.5 -0.744 25.4-115.0 -89.6 141.8 -49.3 132.5 4.7 119 468 A I E -de 92 153A 3 33,-2.2 35,-2.7 -2,-0.4 2,-0.8 -0.627 24.3-146.1 -76.4 122.8 -47.5 129.2 5.3 120 469 A R E -d 93 0A 60 -28,-2.9 -26,-2.3 -2,-0.5 2,-0.6 -0.827 10.9-145.0 -92.6 109.5 -49.2 126.5 3.2 121 470 A V E -d 94 0A 4 -2,-0.8 -26,-0.2 33,-0.3 3,-0.1 -0.654 20.3-177.2 -82.1 119.3 -49.0 123.3 5.2 122 471 A E > - 0 0 0 -28,-2.7 3,-2.0 -2,-0.6 -2,-0.0 -0.885 19.6-172.7-121.2 96.4 -48.5 120.4 2.8 123 472 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.734 82.0 77.8 -56.8 -20.7 -48.4 116.9 4.2 124 473 A G G 3 S+ 0 0 0 37,-0.3 58,-0.2 1,-0.3 59,-0.1 0.654 95.8 47.5 -64.5 -12.9 -47.4 115.7 0.7 125 474 A I G < S+ 0 0 1 -3,-2.0 77,-0.4 -31,-0.1 -1,-0.3 0.148 86.6 122.3-112.0 17.9 -43.9 116.9 1.5 126 475 A F S < S- 0 0 2 -3,-2.0 3,-0.1 1,-0.2 75,-0.0 -0.241 75.8 -76.5 -64.5 164.4 -43.8 115.3 5.0 127 476 A E - 0 0 23 1,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.204 60.0 -83.1 -57.4 152.0 -40.9 112.8 5.7 128 477 A W > - 0 0 4 1,-0.1 3,-2.2 -3,-0.1 -1,-0.1 -0.476 40.4-130.9 -54.4 127.8 -41.1 109.3 4.3 129 478 A M G > S+ 0 0 4 1,-0.3 3,-1.8 38,-0.2 -1,-0.1 0.727 102.2 74.3 -62.9 -25.9 -43.3 107.4 6.8 130 479 A K G 3 S+ 0 0 81 40,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.776 100.5 44.5 -48.7 -33.3 -40.7 104.6 7.0 131 480 A W G < S+ 0 0 31 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.232 108.9 66.3-104.4 12.7 -38.6 107.0 9.1 132 481 A E S < S- 0 0 31 -3,-1.8 2,-0.1 36,-0.1 -69,-0.0 -0.880 92.9 -88.1-129.1 158.9 -41.4 108.3 11.3 133 482 A A > - 0 0 37 -2,-0.3 3,-2.2 -70,-0.2 4,-0.3 -0.420 38.2-121.7 -63.2 142.8 -43.6 106.7 14.1 134 483 A S T 3 S+ 0 0 60 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.829 114.2 48.2 -57.5 -34.1 -46.8 105.2 12.7 135 484 A K T > S+ 0 0 97 1,-0.2 3,-1.0 2,-0.1 4,-0.3 0.315 80.0 107.7 -90.5 8.0 -48.9 107.5 14.8 136 485 A A G X S+ 0 0 3 -3,-2.2 3,-1.4 1,-0.2 4,-0.2 0.863 76.0 52.6 -50.1 -42.4 -46.9 110.6 13.8 137 486 A T G > S+ 0 0 21 -3,-0.5 3,-0.6 -4,-0.3 -1,-0.2 0.744 100.7 60.6 -73.5 -22.3 -49.8 111.9 11.6 138 487 A L G < S+ 0 0 143 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.497 107.8 48.9 -76.2 -4.2 -52.3 111.7 14.5 139 488 A T G < S+ 0 0 10 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.321 74.2 121.2-129.0 8.4 -50.1 114.1 16.4 140 489 A F S < S- 0 0 15 -3,-0.6 2,-0.2 -4,-0.2 -43,-0.1 -0.384 74.8 -98.6 -60.3 147.8 -49.3 117.0 14.1 141 490 A L - 0 0 2 -45,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.522 42.9-119.9 -59.9 136.5 -50.5 120.4 15.4 142 491 A T > - 0 0 68 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.390 23.8-107.6 -73.5 162.5 -53.8 121.3 13.8 143 492 A L H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 10,-0.2 0.842 122.8 53.2 -59.0 -34.3 -53.9 124.5 11.7 144 493 A E H > S+ 0 0 145 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 108.0 49.5 -66.6 -45.0 -56.0 126.1 14.5 145 494 A E H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.868 110.8 50.9 -60.3 -40.6 -53.3 125.2 17.1 146 495 A L H <>S+ 0 0 2 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.917 110.7 47.4 -63.8 -44.7 -50.6 126.7 14.8 147 496 A K H ><5S+ 0 0 87 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.896 109.2 54.6 -65.0 -37.2 -52.6 129.9 14.5 148 497 A E H 3<5S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.930 107.6 51.6 -51.1 -46.5 -53.1 130.0 18.2 149 498 A A T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.225 127.6-101.8 -84.0 14.2 -49.3 129.7 18.4 150 499 A N T < 5S+ 0 0 117 -3,-1.7 2,-0.6 1,-0.3 -3,-0.2 0.788 73.1 144.4 71.7 31.0 -48.9 132.7 16.1 151 500 A F < - 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0 0 141 1,-0.0 -4,-2.4 19,-0.0 2,-0.3 -0.631 43.0-120.4 -88.0 147.2 7.5 105.4 33.5 306 389 B Y B +R 300 0H 35 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.687 34.5 169.9 -88.9 135.3 4.7 104.9 31.0 307 390 B Y - 0 0 96 -8,-3.0 9,-0.0 -2,-0.3 8,-0.0 -0.943 35.0-120.2-137.9 164.3 1.1 104.2 32.0 308 391 B R + 0 0 25 -2,-0.3 -9,-0.1 1,-0.1 744,-0.1 -0.864 26.8 174.3-108.1 95.6 -2.3 104.0 30.3 309 392 B P S S+ 0 0 43 0, 0.0 744,-0.4 0, 0.0 2,-0.3 0.733 77.0 21.8 -70.3 -22.5 -4.7 106.6 32.0 310 393 B D S > S- 0 0 8 742,-0.1 3,-2.0 4,-0.1 744,-0.2 -0.969 84.7-113.8-145.7 147.1 -7.4 105.8 29.4 311 394 B L T 3 S+ 0 0 5 742,-3.3 743,-0.2 -2,-0.3 4,-0.1 0.685 111.7 66.6 -61.6 -18.3 -8.0 102.8 27.1 312 395 B N T 3 S+ 0 0 0 741,-0.3 23,-2.0 23,-0.1 -1,-0.3 0.580 81.0 88.7 -81.5 -12.9 -7.3 104.9 24.0 313 396 B F S < S- 0 0 1 -3,-2.0 21,-0.1 21,-0.2 -5,-0.1 -0.648 92.8-108.1 -73.1 143.5 -3.6 105.4 25.1 314 397 B P - 0 0 13 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.290 24.5-105.4 -72.3 166.0 -1.7 102.5 23.6 315 398 B R S S- 0 0 126 1,-0.1 2,-0.3 -4,-0.1 -7,-0.1 0.824 93.4 -13.7 -55.2 -42.1 -0.3 99.6 25.7 316 399 B S - 0 0 83 -9,-0.0 -1,-0.1 -8,-0.0 -9,-0.0 -0.944 64.0-116.0-154.5 168.2 3.3 100.8 25.5 317 400 B L - 0 0 22 -2,-0.3 3,-0.1 -3,-0.1 -11,-0.1 -0.898 40.5-104.9-108.7 143.7 5.6 103.2 23.7 318 401 B P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 94,-0.1 -0.325 45.1 -89.3 -66.5 152.7 8.5 102.0 21.6 319 402 B R - 0 0 202 92,-0.2 2,-0.3 93,-0.1 96,-0.1 -0.434 59.4-176.0 -62.5 135.2 12.1 102.3 22.9 320 403 B R > - 0 0 17 -2,-0.1 3,-1.0 -3,-0.1 5,-0.1 -0.962 31.3 -98.9-143.8 145.5 13.4 105.6 21.8 321 404 B S T 3 S+ 0 0 56 -2,-0.3 5,-0.4 1,-0.2 84,-0.0 -0.352 109.2 20.2 -58.6 142.5 16.5 107.9 21.9 322 405 B N T > S- 0 0 105 3,-0.1 3,-1.0 2,-0.1 -1,-0.2 0.758 116.8 -98.2 66.0 29.6 16.4 110.5 24.7 323 406 B G T < S- 0 0 43 -3,-1.0 3,-0.3 1,-0.2 4,-0.1 -0.364 77.4 -30.3 62.6-134.9 13.8 108.5 26.6 324 407 B I T > S+ 0 0 44 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.560 113.3 90.7 -96.9 -9.8 10.2 109.5 26.3 325 408 B K G X S+ 0 0 170 -3,-1.0 3,-1.1 1,-0.3 4,-0.3 0.775 78.7 61.9 -59.4 -32.3 10.7 113.3 25.7 326 409 B D G >> S+ 0 0 26 -5,-0.4 3,-0.6 -3,-0.3 4,-0.6 0.652 85.5 74.7 -72.9 -17.4 10.8 112.9 21.9 327 410 B F G <4 S+ 0 0 0 -3,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.756 79.5 77.4 -65.7 -25.2 7.3 111.5 21.7 328 411 B E G <4 S+ 0 0 90 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.921 108.1 25.7 -45.9 -54.6 6.1 115.1 22.4 329 412 B N T <4 S+ 0 0 54 -3,-0.6 -1,-0.2 -4,-0.3 70,-0.2 0.483 130.9 43.6 -93.9 -0.5 6.7 116.1 18.8 330 413 B D S < S- 0 0 0 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 -0.500 80.1-176.5-145.8 65.1 6.3 112.6 17.3 331 414 B P - 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