==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-09 3A4W . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR H.TSUJI,S.NISHIMURA,T.INUI,K.ISHIKAWA,T.NAKAMURA,K.UEGAKI . 602 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 2 0 0 2 4 0 0 2 2 0 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 2 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 PARALLEL BRIDGES PER LADDER . 1 5 0 2 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 . 4 2 0 0 0 0 0 0 0 0 2 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 1 407 A G 0 0 73 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.6 -30.3 23.4 -9.1 2 408 A P - 0 0 141 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.821 360.0 -13.0 -30.8 -57.6 -30.9 27.2 -8.9 3 409 A N S S+ 0 0 94 1,-0.0 108,-0.0 108,-0.0 0, 0.0 0.738 123.1 75.7-112.3 -57.0 -27.7 27.5 -6.9 4 410 A A - 0 0 18 1,-0.1 72,-0.1 108,-0.0 108,-0.1 -0.181 67.1-150.4 -59.7 142.0 -26.5 24.0 -5.8 5 411 A N - 0 0 35 70,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.766 20.3 -94.6-113.4 158.8 -24.8 21.8 -8.4 6 412 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.429 29.4-143.7 -70.4 141.9 -24.6 18.0 -9.0 7 413 A I - 0 0 40 -2,-0.1 4,-0.1 1,-0.1 68,-0.0 -0.887 32.4-104.6 -99.9 137.3 -21.4 16.2 -7.7 8 414 A P - 0 0 37 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.184 22.6-114.3 -62.4 156.8 -20.3 13.4 -10.0 9 415 A E S S+ 0 0 118 1,-0.2 2,-0.5 287,-0.2 284,-0.0 0.837 115.6 35.0 -57.0 -37.1 -20.9 9.8 -9.2 10 416 A H S S+ 0 0 18 286,-0.2 2,-0.3 283,-0.1 -1,-0.2 -0.974 92.7 177.4-119.6 109.3 -17.1 9.3 -8.9 11 417 A F E -a 254 0A 13 242,-1.8 244,-2.1 -2,-0.5 2,-0.5 -0.817 33.2-152.0-123.2 156.8 -15.7 12.6 -7.5 12 418 A F E +a 255 0A 0 -2,-0.3 25,-0.4 242,-0.2 244,-0.2 -0.983 24.2 163.7-123.5 112.8 -12.4 14.2 -6.4 13 419 A A - 0 0 2 242,-1.8 25,-0.2 -2,-0.5 26,-0.1 -0.698 19.8-162.5-133.0 79.1 -12.9 16.9 -3.7 14 420 A P - 0 0 0 0, 0.0 25,-2.5 0, 0.0 2,-0.2 -0.190 26.5 -97.3 -66.9 157.2 -9.6 17.7 -2.0 15 421 A Y E -cd 39 258B 2 242,-2.3 245,-3.1 23,-0.2 244,-0.5 -0.524 31.0-166.1 -77.9 137.8 -9.4 19.5 1.3 16 422 A I E -c 40 0B 0 23,-2.3 25,-2.9 -2,-0.2 2,-1.1 -0.995 19.2-139.5-119.9 123.9 -8.8 23.2 1.6 17 423 A D E > -c 41 0B 29 -2,-0.5 3,-1.5 1,-0.2 25,-0.2 -0.733 18.8-163.6 -77.7 101.9 -7.9 24.7 5.0 18 424 A M T 3 S+ 0 0 3 23,-2.6 -1,-0.2 -2,-1.1 24,-0.1 0.674 77.8 65.6 -65.1 -19.6 -10.0 27.8 4.7 19 425 A S T 3 S+ 0 0 46 22,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.511 73.0 113.3 -84.5 -8.0 -8.2 29.6 7.5 20 426 A L X - 0 0 27 -3,-1.5 3,-1.6 1,-0.1 367,-0.0 -0.381 68.8-133.2 -70.6 144.4 -4.8 29.9 5.8 21 427 A S T 3 S+ 0 0 70 1,-0.3 -1,-0.1 367,-0.2 -3,-0.0 0.775 106.4 62.6 -66.9 -23.3 -3.5 33.4 4.9 22 428 A V T 3 S+ 0 0 63 366,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.512 76.6 143.3 -75.4 -5.0 -2.5 32.1 1.5 23 429 A H < - 0 0 35 -3,-1.6 -5,-0.1 -6,-0.1 3,-0.1 -0.075 32.4-163.5 -50.1 124.3 -6.2 31.3 0.8 24 430 A K - 0 0 60 1,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.644 35.0 -82.9 -97.0 160.8 -7.3 31.9 -2.9 25 431 A P >> - 0 0 58 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.357 40.8-119.3 -56.9 144.7 -10.8 32.2 -4.1 26 432 A L H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.856 113.4 57.4 -55.2 -39.5 -12.4 28.8 -4.8 27 433 A V H 3> S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.834 105.6 51.2 -61.9 -32.6 -12.8 29.6 -8.5 28 434 A E H <> S+ 0 0 86 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.906 108.2 50.5 -70.0 -43.4 -9.1 30.2 -8.8 29 435 A Y H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.4 0.886 107.2 56.1 -58.7 -38.9 -8.3 26.9 -7.1 30 436 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 109.1 46.0 -58.2 -47.1 -10.7 25.2 -9.6 31 437 A K H < S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.898 119.0 40.9 -59.5 -43.4 -8.7 26.7 -12.5 32 438 A L H < S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 123.2 35.8 -77.5 -42.1 -5.3 25.7 -11.0 33 439 A T H < S- 0 0 0 -4,-3.4 257,-0.2 2,-0.2 -3,-0.2 0.754 97.9-129.4 -82.8 -28.6 -6.2 22.3 -9.7 34 440 A G S < S+ 0 0 17 -4,-2.1 2,-0.4 -5,-0.4 -4,-0.1 0.366 76.5 101.8 88.6 -5.6 -8.6 21.2 -12.5 35 441 A T - 0 0 0 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.927 52.3-165.5-108.1 138.4 -11.3 20.1 -10.0 36 442 A K S S+ 0 0 34 -2,-0.4 40,-1.8 -3,-0.1 2,-0.4 0.129 70.3 83.5-104.2 20.0 -14.3 22.3 -9.3 37 443 A Y E + e 0 76B 18 -25,-0.4 2,-0.3 38,-0.2 40,-0.2 -0.988 55.9 170.5-121.4 131.8 -15.2 20.3 -6.2 38 444 A F E - e 0 77B 0 38,-1.3 40,-2.2 -2,-0.4 2,-0.6 -0.971 34.3-131.6-137.8 154.1 -13.6 20.9 -2.8 39 445 A T E -ce 15 78B 0 -25,-2.5 -23,-2.3 -2,-0.3 2,-0.6 -0.939 30.0-143.0-102.3 119.9 -14.0 19.8 0.8 40 446 A L E -ce 16 79B 0 38,-3.0 40,-2.9 -2,-0.6 2,-0.3 -0.761 25.3-121.8 -92.6 121.5 -13.9 23.0 2.9 41 447 A A E -c 17 0B 0 -25,-2.9 -23,-2.6 -2,-0.6 -22,-0.4 -0.864 54.8 -1.8-119.9 145.6 -12.1 22.5 6.3 42 448 A F E - 0 0 29 38,-0.4 13,-2.6 -2,-0.3 2,-0.5 0.657 33.4-179.6-128.7 148.7 -12.8 22.8 9.2 43 449 A I E +Fe 54 81B 1 37,-2.5 39,-1.8 -3,-0.2 46,-0.3 -0.813 29.4 165.5 -87.0 129.3 -15.9 24.0 11.2 44 450 A L E -F 53 0B 9 9,-2.7 9,-1.9 -2,-0.5 2,-0.5 -0.805 43.8 -79.3-131.4 173.3 -15.2 23.8 14.9 45 451 A Y E -F 52 0B 18 42,-2.5 2,-0.5 -2,-0.3 278,-0.1 -0.691 40.4-157.9 -77.5 124.2 -16.8 25.2 18.1 46 452 A S E >> -F 51 0B 0 5,-2.8 5,-1.4 -2,-0.5 4,-1.0 -0.913 11.9-161.9-100.0 124.2 -16.0 28.8 18.7 47 453 A S T 45S+ 0 0 52 -2,-0.5 -1,-0.1 9,-0.4 10,-0.1 0.871 94.6 56.9 -67.0 -36.6 -16.4 30.0 22.4 48 454 A V T 45S+ 0 0 70 8,-0.3 -1,-0.2 1,-0.2 9,-0.1 0.908 120.5 27.6 -60.8 -44.2 -16.5 33.6 21.0 49 455 A Y T 45S- 0 0 115 2,-0.3 -1,-0.2 7,-0.2 -2,-0.2 0.494 98.7-134.5 -95.4 -3.4 -19.4 32.9 18.8 50 456 A N T <5S+ 0 0 90 -4,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.900 80.4 42.7 43.2 49.0 -20.9 30.0 21.0 51 457 A G E -F 44 0B 0 -9,-1.9 -9,-2.7 6,-0.1 3,-1.7 -0.970 50.6 -87.6-158.7 153.2 -16.8 28.9 13.0 54 460 A W E >> S-FG 43 58B 1 4,-2.1 4,-2.7 -2,-0.3 3,-2.4 -0.452 114.5 -4.8 -66.1 130.6 -13.9 28.2 10.7 55 461 A A T 34 S- 0 0 43 -13,-2.6 -1,-0.3 1,-0.3 268,-0.3 0.632 124.8 -74.2 58.9 15.5 -10.9 26.9 12.7 56 462 A G T <4 S+ 0 0 1 -3,-1.7 -9,-0.4 -14,-0.4 -8,-0.3 0.633 132.9 52.9 74.0 17.5 -13.1 27.6 15.8 57 463 A S T <4 S+ 0 0 16 -3,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.489 78.8 89.1-153.2 -15.1 -12.6 31.3 15.4 58 464 A I B < S-G 54 0B 12 -4,-2.7 -4,-2.1 1,-0.1 -2,-0.2 -0.829 86.8 -91.6-106.2 132.3 -13.4 32.8 12.0 59 465 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.086 30.6-132.5 -47.8 133.0 -17.0 33.9 11.2 60 466 A L G > S+ 0 0 6 -8,-0.5 3,-0.6 1,-0.3 -7,-0.1 0.854 102.5 52.6 -53.2 -42.2 -19.1 31.1 9.6 61 467 A E G > S+ 0 0 122 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.419 77.0 104.0 -80.5 3.0 -20.4 33.3 6.8 62 468 A K G < S+ 0 0 88 -3,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.838 85.0 39.5 -57.5 -35.7 -17.0 34.5 5.5 63 469 A F G <> S+ 0 0 6 -3,-0.6 4,-1.9 -4,-0.2 -1,-0.3 0.266 80.1 106.3-104.1 13.5 -16.8 32.2 2.5 64 470 A V H <> S+ 0 0 49 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.928 82.4 48.8 -58.7 -47.4 -20.4 32.4 1.3 65 471 A D H > S+ 0 0 109 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.881 108.3 54.1 -62.5 -38.0 -19.6 34.6 -1.7 66 472 A E H > S+ 0 0 45 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 109.2 48.4 -61.7 -40.0 -16.6 32.3 -2.7 67 473 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 109.3 53.3 -67.8 -41.1 -19.0 29.3 -2.8 68 474 A R H X S+ 0 0 87 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.928 109.8 48.0 -57.4 -44.8 -21.5 31.3 -4.8 69 475 A E H < S+ 0 0 78 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.895 109.8 52.0 -66.8 -37.7 -18.8 32.1 -7.4 70 476 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-1.4 0.898 105.8 55.4 -61.6 -39.5 -17.7 28.5 -7.6 71 477 A R H ><5S+ 0 0 24 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.812 94.9 68.5 -65.2 -27.6 -21.3 27.4 -8.2 72 478 A E T 3<5S+ 0 0 130 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.728 102.4 44.8 -63.0 -22.5 -21.4 29.8 -11.2 73 479 A I T < 5S- 0 0 59 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.225 129.5 -96.1-104.1 14.6 -18.9 27.5 -13.0 74 480 A G T < 5S+ 0 0 19 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.511 80.7 140.1 87.4 8.1 -20.9 24.4 -12.0 75 481 A G < - 0 0 0 -5,-2.2 2,-0.3 -6,-0.2 -70,-0.3 -0.193 29.4-170.2 -77.6 172.2 -18.7 23.6 -8.9 76 482 A E E -e 37 0B 0 -40,-1.8 -38,-1.3 -72,-0.1 2,-0.3 -0.977 7.9-138.3-159.2 161.8 -19.9 22.4 -5.5 77 483 A V E -e 38 0B 0 -2,-0.3 36,-0.5 -40,-0.2 2,-0.4 -0.859 8.1-145.5-128.7 160.4 -18.5 21.9 -2.0 78 484 A I E -e 39 0B 3 -40,-2.2 -38,-3.0 -2,-0.3 2,-0.5 -0.982 26.4-138.6-116.8 132.0 -18.6 19.5 0.9 79 485 A I E -eh 40 115B 0 35,-2.0 37,-3.0 -2,-0.4 2,-0.4 -0.864 18.7-151.8 -97.5 125.4 -18.4 21.2 4.3 80 486 A A E - h 0 116B 0 -40,-2.9 -37,-2.5 -2,-0.5 2,-0.4 -0.780 9.6-165.4-104.6 140.9 -16.1 19.5 6.8 81 487 A F E +eh 43 117B 9 35,-2.8 37,-2.7 -2,-0.4 2,-0.5 -0.914 57.6 6.9-114.4 142.4 -16.3 19.4 10.6 82 488 A G E + h 0 118B 4 -39,-1.8 3,-0.3 -2,-0.4 37,-0.2 -0.775 59.0 163.0 102.9-130.1 -13.6 18.3 13.0 83 489 A G - 0 0 1 35,-2.8 37,-0.5 -2,-0.5 5,-0.1 -0.492 63.5 -36.9 97.4-168.7 -10.0 17.4 11.9 84 490 A A S S+ 0 0 97 -2,-0.2 2,-0.5 35,-0.1 -1,-0.2 0.785 122.3 53.5 -65.0 -30.7 -6.8 17.1 13.9 85 491 A V S S- 0 0 69 -3,-0.3 -3,-0.1 2,-0.1 -1,-0.1 -0.919 81.4-143.6-114.7 127.3 -7.4 20.0 16.3 86 492 A G + 0 0 20 -2,-0.5 237,-0.2 2,-0.1 -42,-0.1 -0.103 66.5 115.3 -83.1-169.4 -10.5 20.5 18.5 87 493 A P - 0 0 37 0, 0.0 -42,-2.5 0, 0.0 2,-0.2 0.406 55.5-161.2 -89.2 137.4 -12.8 21.5 20.0 88 494 A Y >> - 0 0 7 -44,-0.2 4,-2.2 1,-0.1 3,-1.1 -0.486 26.6-124.7 -77.8 150.4 -15.5 19.8 17.9 89 495 A L H 3> S+ 0 0 4 -46,-0.3 4,-2.8 1,-0.2 -1,-0.1 0.901 115.1 55.9 -52.8 -43.3 -19.1 21.0 17.9 90 496 A C H 34 S+ 0 0 6 1,-0.2 34,-0.3 2,-0.2 -1,-0.2 0.646 109.3 47.1 -70.9 -13.6 -20.1 17.4 18.8 91 497 A Q H <4 S+ 0 0 77 -3,-1.1 -1,-0.2 32,-0.1 -2,-0.2 0.833 117.1 40.8 -87.8 -42.2 -17.7 17.6 21.8 92 498 A Q H < S+ 0 0 96 -4,-2.2 -2,-0.2 7,-0.0 -3,-0.2 0.829 90.5 98.7 -77.4 -34.7 -19.0 21.0 23.1 93 499 A A < - 0 0 2 -4,-2.8 -5,-0.0 -5,-0.2 -42,-0.0 -0.304 58.3-157.0 -60.9 134.5 -22.7 20.5 22.5 94 500 A S S S+ 0 0 103 1,-0.1 -1,-0.1 2,-0.0 -4,-0.0 0.770 75.8 24.1 -82.8 -27.1 -24.6 19.5 25.7 95 501 A T S > S- 0 0 54 1,-0.1 4,-1.9 32,-0.0 5,-0.1 -0.920 77.6-117.3-132.8 158.4 -27.5 17.9 23.8 96 502 A P H > S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.808 116.2 58.9 -60.9 -31.7 -28.1 16.3 20.4 97 503 A E H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.913 105.8 45.6 -63.9 -45.1 -30.7 19.1 19.8 98 504 A Q H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 114.1 50.2 -63.0 -43.1 -28.1 21.8 20.3 99 505 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.931 110.4 48.9 -61.1 -47.0 -25.6 19.9 18.1 100 506 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.887 107.8 55.3 -61.5 -40.6 -28.3 19.5 15.3 101 507 A E H X S+ 0 0 118 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 109.2 48.0 -56.4 -44.2 -29.1 23.2 15.5 102 508 A W H X S+ 0 0 12 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.925 112.4 47.2 -63.8 -47.8 -25.4 24.0 14.9 103 509 A Y H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 112.5 50.8 -59.4 -42.9 -25.1 21.6 11.9 104 510 A I H X S+ 0 0 15 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.870 104.6 57.1 -65.8 -36.1 -28.3 23.0 10.4 105 511 A K H X S+ 0 0 114 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.901 109.2 46.7 -59.6 -39.9 -27.0 26.6 10.8 106 512 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 6,-0.3 0.935 111.9 49.9 -68.0 -45.7 -24.0 25.5 8.7 107 513 A I H X>S+ 0 0 1 -4,-2.3 5,-2.1 1,-0.2 4,-1.0 0.928 114.2 44.8 -55.1 -49.0 -26.2 23.8 6.1 108 514 A D H <5S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.832 109.5 55.2 -70.3 -32.9 -28.5 26.8 5.8 109 515 A T H <5S+ 0 0 46 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.877 123.3 25.9 -67.0 -36.7 -25.6 29.3 5.6 110 516 A Y H <5S- 0 0 5 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.397 99.6-123.0-105.1 0.5 -24.0 27.6 2.7 111 517 A N T <5 - 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