==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-10 2XWE . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BRUMSHTEIN,M.AGUILAR-MONCAYO,J.M.BENITO,C.ORTIZ MELLET, . 994 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 55 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 4 0 2 4 1 0 4 3 2 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 4 4 4 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 PARALLEL BRIDGES PER LADDER . 4 2 4 3 0 6 6 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 2 0 0 0 2 2 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 0 A F 0 0 182 0, 0.0 2,-0.2 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 126.5 -9.9 -17.4 -27.9 2 1 A A - 0 0 49 23,-0.1 25,-0.2 27,-0.1 23,-0.1 -0.515 360.0-176.4 -68.0 135.4 -8.9 -17.0 -24.3 3 2 A R B -A 26 0A 97 23,-1.4 23,-1.4 -2,-0.2 3,-0.1 -0.993 24.8-122.3-130.8 122.7 -9.3 -13.3 -23.1 4 3 A P - 0 0 101 0, 0.0 2,-0.2 0, 0.0 23,-0.0 -0.159 33.0 -90.0 -60.4 163.3 -8.1 -12.5 -19.6 5 4 A a - 0 0 27 41,-0.1 14,-0.1 43,-0.1 12,-0.1 -0.566 30.0-138.6 -62.2 129.2 -10.3 -11.0 -16.9 6 5 A I - 0 0 76 12,-0.4 12,-2.4 -2,-0.2 2,-0.2 -0.866 32.1-146.1 -82.6 103.0 -10.4 -7.2 -16.8 7 6 A P E +B 17 0B 83 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.449 24.8 176.6 -84.0 151.2 -10.2 -6.7 -13.1 8 7 A K E -B 16 0B 83 8,-1.8 8,-2.5 -2,-0.2 2,-0.3 -0.978 16.0-147.9-147.2 130.7 -11.9 -3.9 -11.1 9 8 A S - 0 0 70 -2,-0.3 6,-0.1 6,-0.2 346,-0.1 -0.716 14.4-176.5 -95.1 148.0 -11.9 -3.5 -7.3 10 9 A F - 0 0 70 4,-0.5 344,-0.1 344,-0.5 -1,-0.1 0.030 68.6 -85.2-124.8 23.0 -14.8 -1.9 -5.4 11 10 A G S S+ 0 0 65 1,-0.3 344,-0.1 3,-0.1 4,-0.1 0.467 94.1 116.8 88.5 3.7 -13.0 -2.1 -2.1 12 11 A Y S S- 0 0 64 342,-0.5 -1,-0.3 2,-0.4 344,-0.1 -0.241 85.7 -78.7 -92.5-168.2 -13.9 -5.6 -1.1 13 12 A S S S+ 0 0 57 -3,-0.1 2,-0.3 -2,-0.1 343,-0.2 0.703 107.5 8.2 -69.7 -18.3 -11.5 -8.5 -0.6 14 13 A S S S- 0 0 6 341,-1.6 -4,-0.5 340,-0.2 -2,-0.4 -0.836 80.8 -90.6-146.9-174.7 -11.1 -9.2 -4.3 15 14 A V - 0 0 28 29,-0.4 2,-0.2 -2,-0.3 -6,-0.2 -0.530 21.5-135.6 -98.5 161.9 -11.9 -8.0 -7.8 16 15 A V E -B 8 0B 0 -8,-2.5 -8,-1.8 -2,-0.2 2,-0.5 -0.720 25.2-116.6-101.2 167.9 -14.6 -8.5 -10.3 17 16 A a E -BC 7 413B 0 396,-2.0 396,-2.5 -2,-0.2 2,-0.4 -0.941 28.2-137.1-107.0 130.2 -14.1 -9.1 -14.0 18 17 A V E + C 0 412B 26 -12,-2.4 -12,-0.4 -2,-0.5 2,-0.3 -0.681 25.8 175.8 -95.2 130.6 -15.5 -6.4 -16.2 19 18 A b E + C 0 411B 1 392,-2.4 392,-2.2 -2,-0.4 5,-0.2 -0.961 3.9 160.7-131.9 151.7 -17.5 -7.2 -19.4 20 19 A N - 0 0 61 3,-2.7 390,-0.1 -2,-0.3 83,-0.1 -0.631 57.2 -55.4-148.2-157.6 -19.3 -5.1 -21.9 21 20 A A S S+ 0 0 29 388,-0.4 3,-0.1 -2,-0.2 82,-0.1 0.736 131.4 24.2 -66.2 -25.2 -20.6 -5.1 -25.4 22 21 A T S S+ 0 0 124 1,-0.2 2,-0.4 78,-0.0 -1,-0.2 0.479 119.5 46.1-121.5 -6.2 -17.3 -6.0 -27.0 23 22 A Y + 0 0 61 2,-0.0 -3,-2.7 -20,-0.0 2,-0.3 -0.992 46.1 153.8-144.4 133.8 -15.3 -7.8 -24.4 24 23 A b - 0 0 6 -2,-0.4 -5,-0.1 -5,-0.2 -19,-0.1 -0.951 47.0-100.5-147.5 144.9 -15.7 -10.6 -21.9 25 24 A D + 0 0 21 -2,-0.3 2,-0.3 -7,-0.2 -20,-0.1 -0.213 52.0 162.3 -55.8 146.2 -13.2 -13.0 -20.4 26 25 A S B -A 3 0A 28 -23,-1.4 -23,-1.4 87,-0.0 2,-0.2 -0.972 33.2 -99.7-157.4 175.3 -13.3 -16.5 -21.9 27 26 A F - 0 0 39 85,-1.3 22,-0.0 -2,-0.3 84,-0.0 -0.674 29.4-115.0-102.4 155.2 -11.3 -19.7 -22.3 28 27 A D - 0 0 101 -2,-0.2 -1,-0.1 -27,-0.2 -25,-0.1 -0.188 54.8 -78.4 -65.3 173.4 -9.1 -21.1 -25.2 29 28 A P 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.608 360.0 360.0 -79.8 143.2 -10.4 -24.3 -26.9 30 29 A P 0 0 171 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.916 360.0 360.0 -70.7 360.0 -9.8 -27.6 -24.9 31 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 32 A P 0 0 82 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-124.4 -4.7 -32.9 -21.6 33 33 A A > - 0 0 60 3,-0.2 3,-1.3 462,-0.1 462,-0.1 -0.927 360.0 -78.9-164.9 133.3 -2.2 -35.8 -22.5 34 34 A L T 3 S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.2 462,-0.1 0.031 114.8 22.2 -53.6 143.2 -1.4 -39.0 -20.6 35 35 A G T 3 S+ 0 0 41 460,-0.4 21,-2.3 1,-0.3 2,-0.3 0.592 111.4 89.7 71.6 9.8 1.0 -38.7 -17.6 36 36 A T E < -F 55 0C 46 -3,-1.3 459,-0.5 19,-0.3 2,-0.3 -0.946 61.1-151.1-125.4 158.5 0.1 -35.0 -17.3 37 37 A F E -F 54 0C 4 17,-2.7 17,-1.8 -2,-0.3 2,-0.4 -0.916 10.3-134.6-122.2 154.9 -2.6 -33.2 -15.4 38 38 A S E -FG 53 493C 6 455,-2.6 455,-2.4 -2,-0.3 2,-0.4 -0.868 18.8-164.4-101.9 142.9 -4.4 -29.9 -15.9 39 39 A R E -FG 52 492C 37 13,-2.8 13,-2.7 -2,-0.4 2,-0.5 -0.996 5.0-163.2-128.1 128.4 -4.9 -27.4 -13.0 40 40 A Y E -FG 51 491C 31 451,-2.6 451,-2.3 -2,-0.4 2,-0.4 -0.988 17.2-167.8-107.9 132.4 -7.4 -24.5 -13.0 41 41 A E E +FG 50 490C 30 9,-2.5 9,-2.9 -2,-0.5 2,-0.4 -0.931 19.5 176.6-127.2 136.5 -6.8 -21.9 -10.4 42 42 A S E - G 0 489C 0 447,-2.3 447,-2.3 -2,-0.4 2,-0.3 -0.992 15.3-177.7-129.9 144.3 -8.6 -18.9 -8.9 43 43 A T E > - G 0 488C 9 4,-1.8 3,-1.4 -2,-0.4 445,-0.2 -0.928 41.4-119.0-138.6 154.4 -7.2 -16.8 -6.0 44 44 A R T 3 S+ 0 0 101 443,-1.8 -29,-0.4 442,-0.3 -1,-0.1 0.895 113.0 68.1 -57.0 -37.7 -8.3 -13.9 -3.8 45 45 A S T 3 S- 0 0 107 442,-0.3 -1,-0.2 1,-0.1 443,-0.1 0.642 129.1 -86.9 -58.3 -18.0 -5.2 -12.1 -5.3 46 46 A G S < S+ 0 0 27 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.393 78.4 137.0 128.6 -5.2 -6.9 -12.1 -8.7 47 47 A R - 0 0 112 1,-0.1 -4,-1.8 3,-0.0 2,-0.5 -0.550 35.4-158.3 -72.9 143.7 -6.3 -15.2 -10.8 48 48 A R - 0 0 21 -6,-0.2 -6,-0.2 -2,-0.2 -43,-0.1 -0.882 62.9 -44.0-130.5 96.1 -9.5 -16.4 -12.5 49 49 A M S S- 0 0 6 -2,-0.5 2,-0.3 1,-0.2 -7,-0.2 0.910 81.4-177.2 49.5 48.0 -9.7 -20.0 -13.5 50 50 A E E -F 41 0C 92 -9,-2.9 -9,-2.5 1,-0.1 2,-0.3 -0.678 18.5-129.2 -86.1 141.0 -6.1 -19.9 -14.9 51 51 A L E +F 40 0C 92 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.638 34.2 157.2 -94.9 132.7 -4.8 -23.0 -16.6 52 52 A S E -F 39 0C 45 -13,-2.7 -13,-2.8 -2,-0.3 2,-0.3 -0.917 22.9-142.5-140.8 167.9 -1.5 -24.7 -15.8 53 53 A M E +F 38 0C 112 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.938 15.9 175.3-130.8 154.4 -0.1 -28.3 -16.3 54 54 A G E -F 37 0C 13 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.3 -0.959 32.4 -92.6-146.1 173.4 2.1 -30.6 -14.4 55 55 A P E -F 36 0C 75 0, 0.0 2,-0.7 0, 0.0 426,-0.5 -0.609 24.9-130.1 -88.7 148.6 3.4 -34.1 -14.6 56 56 A I - 0 0 23 -21,-2.3 2,-0.3 -2,-0.3 424,-0.2 -0.890 32.4-147.4 -89.2 115.9 1.9 -37.2 -12.9 57 57 A Q B -H 479 0C 88 422,-3.0 422,-2.9 -2,-0.7 420,-0.1 -0.655 13.1-139.4 -89.7 144.0 4.8 -38.9 -11.0 58 58 A A S S+ 0 0 78 -2,-0.3 2,-0.2 420,-0.2 418,-0.1 0.816 83.4 26.0 -73.7 -34.1 5.2 -42.6 -10.5 59 59 A N - 0 0 138 420,-0.1 2,-0.3 419,-0.0 420,-0.2 -0.777 62.4-167.3-125.7 170.8 6.4 -42.5 -6.9 60 60 A H - 0 0 44 -2,-0.2 2,-0.4 418,-0.1 411,-0.0 -0.967 2.4-173.5-157.7 146.4 6.2 -40.1 -3.9 61 61 A T + 0 0 137 -2,-0.3 2,-0.3 2,-0.0 3,-0.1 -0.998 35.4 60.7-144.7 144.8 7.8 -39.6 -0.5 62 62 A G S S- 0 0 53 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.788 72.6 -92.0 134.9-178.6 7.3 -37.6 2.6 63 63 A T S S+ 0 0 132 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.021 73.7 122.3-120.9 16.6 4.9 -36.8 5.3 64 64 A G S S- 0 0 41 1,-0.2 2,-0.2 -3,-0.1 406,-0.1 -0.129 80.7 -60.6 -64.7 179.7 3.0 -33.9 3.8 65 65 A L E -i 470 0C 9 404,-0.7 406,-2.2 374,-0.1 2,-0.4 -0.489 57.1-164.8 -62.2 127.0 -0.8 -34.1 3.3 66 66 A L E -i 471 0C 36 -2,-0.2 373,-2.6 404,-0.2 2,-0.5 -0.982 7.7-161.5-117.8 130.2 -1.7 -36.9 0.9 67 67 A L E -iJ 472 438C 5 404,-3.1 406,-3.5 -2,-0.4 2,-0.5 -0.960 12.4-161.4-108.9 122.9 -5.1 -37.1 -0.7 68 68 A T E -iJ 473 437C 33 369,-2.9 369,-2.2 -2,-0.5 2,-0.2 -0.893 10.7-139.0-117.1 118.9 -5.9 -40.6 -2.1 69 69 A L E - J 0 436C 2 404,-3.2 367,-0.3 -2,-0.5 3,-0.1 -0.547 7.2-163.2 -64.3 138.9 -8.6 -41.3 -4.6 70 70 A Q E > + J 0 435C 62 365,-2.8 3,-2.3 -2,-0.2 365,-1.4 -0.681 13.2 176.7-118.2 75.5 -10.6 -44.5 -3.9 71 71 A P E 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 379,-0.0 0.628 75.0 60.4 -59.6 -19.3 -12.1 -44.9 -7.4 72 72 A E E 3 S+ 0 0 123 -3,-0.1 2,-1.0 2,-0.1 -3,-0.0 0.621 83.9 86.4 -78.7 -20.7 -13.9 -48.2 -6.5 73 73 A Q E < S- 0 0 94 -3,-2.3 362,-1.2 362,-0.1 2,-0.4 -0.758 71.0-169.1 -81.3 102.8 -15.9 -46.4 -3.8 74 74 A K E + J 0 434C 99 -2,-1.0 360,-0.2 360,-0.2 2,-0.1 -0.825 14.9 162.7-102.5 130.4 -18.8 -45.2 -5.9 75 75 A F E - 0 0 67 358,-2.7 2,-0.1 -2,-0.4 -1,-0.1 0.042 45.0 -18.2-116.9-130.3 -21.4 -42.7 -4.7 76 76 A Q E - 0 0 20 295,-0.2 357,-2.6 356,-0.1 2,-0.4 -0.404 54.1-122.3 -85.2 152.1 -24.0 -40.5 -6.5 77 77 A K E - J 0 432C 126 355,-0.2 2,-0.3 -2,-0.1 355,-0.2 -0.748 31.6-116.4 -85.5 137.6 -24.2 -39.4 -10.1 78 78 A V - 0 0 4 353,-3.1 352,-3.0 -2,-0.4 353,-0.2 -0.559 22.9-173.3 -78.5 129.9 -24.3 -35.7 -10.8 79 79 A K - 0 0 28 297,-4.5 2,-0.3 -2,-0.3 298,-0.2 0.887 50.8-118.0 -82.9 -47.1 -27.3 -34.1 -12.4 80 80 A G E -o 377 0D 0 296,-1.3 298,-1.8 348,-0.1 2,-0.3 -0.971 20.0 -76.1 144.0-158.9 -25.5 -30.7 -12.8 81 81 A F E +o 378 0D 2 -2,-0.3 36,-2.7 296,-0.2 37,-1.2 -0.949 45.8 124.2-145.8 144.0 -25.3 -27.0 -11.9 82 82 A G E -op 379 118D 0 296,-1.3 298,-2.8 -2,-0.3 2,-0.2 -0.904 38.4-108.8-171.2-148.1 -27.1 -23.8 -12.9 83 83 A G E - p 0 119D 0 35,-1.3 37,-2.0 296,-0.3 2,-0.4 -0.785 36.4 -86.3-155.0-178.0 -29.1 -20.7 -11.8 84 84 A A E -op 382 120D 0 297,-2.7 299,-1.9 35,-0.2 2,-1.3 -0.858 15.5-145.3-114.8 136.8 -32.6 -19.3 -11.9 85 85 A M + 0 0 0 35,-2.8 2,-0.1 -2,-0.4 297,-0.1 -0.685 37.4 169.3 -96.2 79.2 -34.3 -17.3 -14.7 86 86 A T > - 0 0 0 -2,-1.3 4,-2.6 35,-0.1 5,-0.2 -0.425 53.2-101.4 -76.9 166.9 -36.4 -15.0 -12.5 87 87 A D H > S+ 0 0 5 41,-0.4 4,-2.6 1,-0.2 5,-0.2 0.929 126.8 51.6 -50.3 -44.7 -38.3 -12.0 -13.8 88 88 A A H > S+ 0 0 0 40,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.885 108.6 48.9 -61.3 -43.5 -35.5 -9.9 -12.2 89 89 A A H > S+ 0 0 0 39,-0.2 4,-2.7 2,-0.2 5,-0.2 0.948 113.4 47.8 -60.5 -49.1 -32.7 -11.9 -14.0 90 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.904 112.0 48.1 -59.8 -46.0 -34.5 -11.6 -17.3 91 91 A L H X S+ 0 0 64 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.835 114.5 47.7 -65.0 -38.1 -35.1 -7.8 -16.9 92 92 A N H < S+ 0 0 9 -4,-2.0 3,-0.5 292,-0.2 4,-0.3 0.891 112.3 47.3 -67.1 -44.6 -31.5 -7.3 -15.9 93 93 A I H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.946 112.5 49.2 -62.9 -47.3 -30.1 -9.3 -18.8 94 94 A L H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.587 94.8 74.6 -70.6 -12.2 -32.3 -7.7 -21.4 95 95 A A T 3< S+ 0 0 37 -4,-0.5 -1,-0.3 -3,-0.5 2,-0.2 0.585 86.2 81.7 -69.4 -18.5 -31.3 -4.2 -20.0 96 96 A L S < S- 0 0 5 -3,-1.7 310,-0.1 -4,-0.3 311,-0.0 -0.523 97.8 -94.2 -81.5 159.2 -27.9 -4.7 -21.8 97 97 A S > - 0 0 33 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.366 47.1-102.9 -59.9 153.9 -27.3 -4.1 -25.5 98 98 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.820 120.0 52.6 -56.1 -38.6 -27.8 -7.4 -27.5 99 99 A P H > S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.907 111.8 47.4 -64.6 -40.9 -24.0 -8.1 -28.0 100 100 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 5,-0.1 0.841 109.7 54.4 -63.2 -35.7 -23.4 -7.8 -24.2 101 101 A Q H X S+ 0 0 14 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.936 107.5 50.7 -62.1 -45.3 -26.5 -10.0 -23.6 102 102 A N H X S+ 0 0 70 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.901 110.6 47.4 -60.0 -41.6 -24.9 -12.7 -25.8 103 103 A L H X S+ 0 0 42 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.834 111.3 51.4 -70.7 -32.1 -21.6 -12.5 -23.9 104 104 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.973 114.2 43.9 -67.1 -48.8 -23.5 -12.8 -20.5 105 105 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.5 0.901 113.1 52.4 -63.8 -38.6 -25.5 -15.9 -21.8 106 106 A K H X S+ 0 0 80 -4,-2.6 4,-1.9 -5,-0.3 9,-0.3 0.920 101.1 60.4 -61.9 -42.0 -22.3 -17.3 -23.2 107 107 A S H < S+ 0 0 7 -4,-2.4 7,-2.1 1,-0.2 -1,-0.2 0.857 118.9 28.7 -55.2 -38.9 -20.5 -16.8 -19.9 108 108 A Y H < S+ 0 0 1 -4,-1.4 8,-2.9 -3,-0.2 -2,-0.2 0.944 130.4 27.7 -83.6 -48.5 -23.0 -19.2 -18.3 109 109 A F H < S+ 0 0 2 -4,-2.8 60,-0.3 6,-0.3 61,-0.3 0.567 96.9 88.5-105.0 -13.3 -24.3 -21.6 -20.9 110 110 A S S ><>S- 0 0 5 -4,-1.9 5,-1.5 -5,-0.5 3,-1.2 -0.515 75.9-126.0 -91.3 155.4 -21.6 -22.0 -23.4 111 111 A E T 3 5S+ 0 0 56 56,-0.4 -1,-0.1 1,-0.3 57,-0.1 0.663 117.5 57.9 -66.8 -16.6 -18.7 -24.5 -23.4 112 112 A E T 3 5S+ 0 0 110 -6,-0.1 -85,-1.3 -86,-0.0 -1,-0.3 0.499 114.9 40.7 -88.8 -7.1 -16.5 -21.4 -23.8 113 113 A G T < 5S- 0 0 6 -3,-1.2 -5,-0.2 -7,-0.2 -6,-0.2 0.072 125.1 -61.9-104.1-135.2 -18.1 -20.2 -20.5 114 114 A I T 5 - 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