==== 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 07-NOV-07 3BA3 . COMPND 2 MOLECULE: PYRIDOXAMINE 5'-PHOSPHATE OXIDASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM WCFS1; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0.3 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 . 2 0.7 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 3 3 2 2 2 2 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 1 0 1 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 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 1 A X 0 0 133 0, 0.0 2,-0.9 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 133.1 91.4 88.6 49.4 2 2 A D + 0 0 114 1,-0.1 3,-0.3 2,-0.0 4,-0.2 -0.765 360.0 173.3 -82.9 107.8 91.3 88.4 45.6 3 3 A I > + 0 0 27 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.172 43.2 111.0-101.9 18.3 89.4 91.6 44.6 4 4 A S H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 78.3 46.8 -64.2 -38.0 90.0 91.1 40.8 5 5 A L H > S+ 0 0 11 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.898 113.3 50.3 -71.3 -40.8 86.3 90.4 40.0 6 6 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 109.4 50.3 -56.6 -49.7 85.3 93.3 42.1 7 7 A K H X S+ 0 0 22 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.930 111.7 50.5 -57.0 -42.3 87.7 95.6 40.3 8 8 A Q H X S+ 0 0 112 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.920 115.3 38.9 -62.7 -49.7 86.3 94.3 37.0 9 9 A V H >< S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.893 109.1 59.7 -67.8 -41.1 82.6 95.0 37.8 10 10 A V H >< S+ 0 0 15 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.864 96.3 65.6 -63.1 -29.2 83.1 98.2 39.6 11 11 A Q H 3< S+ 0 0 160 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.793 96.9 52.5 -60.3 -35.6 84.7 99.7 36.5 12 12 A S T << S+ 0 0 27 -3,-1.1 58,-3.1 -4,-0.5 2,-0.3 0.172 107.4 59.4 -93.0 20.2 81.5 99.5 34.3 13 13 A T E < +A 69 0A 10 -3,-1.5 3,-0.1 56,-0.2 54,-0.0 -0.997 42.1 173.7-144.2 147.6 79.3 101.4 36.9 14 14 A N E + 0 0 7 54,-0.6 19,-1.8 -2,-0.3 2,-0.3 0.216 67.8 54.1-130.5 15.7 79.4 104.8 38.6 15 15 A K E -AB 68 32A 48 53,-0.5 53,-2.0 17,-0.3 2,-0.3 -0.990 55.2-156.9-154.7 153.0 76.1 104.7 40.5 16 16 A I E -AB 67 31A 0 15,-2.5 15,-2.2 -2,-0.3 2,-0.8 -0.966 26.7-125.6-126.8 145.6 74.0 102.8 42.9 17 17 A A E -AB 66 30A 0 49,-2.9 49,-1.2 -2,-0.3 2,-0.6 -0.865 38.8-155.8 -80.9 109.1 70.3 102.6 43.8 18 18 A L E -AB 65 29A 4 11,-3.3 11,-1.8 -2,-0.8 2,-0.4 -0.873 10.0-166.5-100.4 116.6 70.8 103.4 47.5 19 19 A S E -AB 64 28A 0 45,-3.2 45,-2.3 -2,-0.6 2,-0.3 -0.870 4.0-170.7-111.2 132.9 67.9 102.0 49.6 20 20 A T E -AB 63 27A 8 7,-2.3 7,-1.4 -2,-0.4 2,-0.4 -0.867 12.0-161.8-123.1 154.8 67.2 102.9 53.3 21 21 A A E +AB 62 26A 2 41,-1.8 41,-2.0 -2,-0.3 2,-0.4 -0.982 19.4 160.3-134.1 119.7 64.9 101.7 56.0 22 22 A V E > S- B 0 25A 20 3,-1.6 3,-2.2 -2,-0.4 146,-0.1 -0.982 76.0 -9.1-137.2 127.4 64.1 103.9 59.0 23 23 A N T 3 S- 0 0 118 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.873 127.9 -59.2 54.2 37.5 61.1 103.2 61.2 24 24 A N T 3 S+ 0 0 99 1,-0.2 2,-0.5 142,-0.1 -1,-0.3 0.608 108.9 129.6 65.3 16.7 59.9 100.7 58.7 25 25 A E E < -B 22 0A 106 -3,-2.2 -3,-1.6 139,-0.1 2,-0.3 -0.881 48.2-141.7-105.8 133.2 59.8 103.4 55.9 26 26 A A E +B 21 0A 5 -2,-0.5 201,-0.4 180,-0.3 2,-0.3 -0.609 23.2 166.7 -93.2 144.3 61.4 102.9 52.6 27 27 A D E -B 20 0A 36 -7,-1.4 -7,-2.3 -2,-0.3 2,-0.3 -0.973 7.5-175.1-146.3 151.3 63.3 105.3 50.4 28 28 A V E +B 19 0A 1 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.981 6.9 167.7-146.5 141.3 65.5 104.8 47.4 29 29 A K E -B 18 0A 61 -11,-1.8 -11,-3.3 -2,-0.3 2,-0.5 -0.976 33.3-121.8-147.9 150.1 67.6 107.2 45.3 30 30 A I E +B 17 0A 42 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.890 37.8 173.3 -97.5 124.0 70.3 106.8 42.7 31 31 A V E -B 16 0A 17 -15,-2.2 -15,-2.5 -2,-0.5 2,-0.1 -0.944 33.2-111.3-127.3 149.7 73.7 108.4 43.6 32 32 A N E -B 15 0A 49 -2,-0.3 14,-0.4 -17,-0.2 2,-0.3 -0.463 38.0-170.0 -70.1 152.0 77.1 108.3 42.0 33 33 A F - 0 0 5 -19,-1.8 2,-0.3 12,-0.1 12,-0.2 -0.971 14.0-151.7-137.2 161.8 79.8 106.5 44.0 34 34 A V E -F 44 0B 4 10,-2.0 10,-2.6 -2,-0.3 2,-0.3 -0.922 11.2-166.7-128.2 158.3 83.6 106.0 43.8 35 35 A W E -F 43 0B 20 -2,-0.3 2,-0.4 8,-0.2 8,-0.1 -0.996 5.4-155.8-147.7 142.1 85.7 103.1 45.0 36 36 A Y > - 0 0 65 6,-0.5 3,-1.6 3,-0.4 6,-0.3 -0.987 19.8-138.9-126.7 133.1 89.4 102.5 45.6 37 37 A E T 3 S+ 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.783 104.7 62.2 -49.2 -38.5 91.4 99.2 45.5 38 38 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.722 116.2 29.5 -67.3 -25.3 93.3 100.4 48.6 39 39 A Q S X S+ 0 0 77 -3,-1.6 3,-1.8 3,-0.1 -3,-0.4 -0.534 75.1 166.5-131.4 68.7 90.1 100.5 50.6 40 40 A P T 3 + 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.649 67.6 62.5 -69.9 -15.7 88.0 97.8 49.0 41 41 A D T 3 S+ 0 0 37 -4,-0.1 84,-3.0 84,-0.0 2,-0.4 0.299 96.1 77.4 -84.9 6.9 85.3 97.5 51.7 42 42 A T E < - G 0 124B 0 -3,-1.8 -6,-0.5 -6,-0.3 2,-0.4 -0.971 52.6-171.1-129.7 132.3 84.2 101.1 51.2 43 43 A L E -FG 35 123B 1 80,-1.9 80,-3.1 -2,-0.4 2,-0.4 -0.949 20.4-150.7-109.3 140.5 82.1 102.9 48.6 44 44 A Y E +FG 34 122B 10 -10,-2.6 -10,-2.0 -2,-0.4 2,-0.3 -0.903 21.6 162.3-111.0 143.0 82.0 106.7 48.8 45 45 A F E - G 0 121B 0 76,-2.2 76,-3.2 -2,-0.4 2,-0.3 -0.915 17.8-148.0-145.7 170.7 79.3 109.1 47.8 46 46 A S E - G 0 120B 19 -14,-0.4 2,-0.3 -2,-0.3 74,-0.2 -0.971 10.1-176.7-138.7 165.7 78.3 112.7 48.5 47 47 A S E - G 0 119B 11 72,-1.7 72,-2.6 -2,-0.3 2,-0.2 -0.971 42.6 -86.7-151.2 155.0 75.3 115.0 48.8 48 48 A V E > - G 0 118B 41 -2,-0.3 3,-1.8 70,-0.2 70,-0.2 -0.504 43.5-121.6 -62.7 141.3 74.7 118.7 49.4 49 49 A K T 3 S+ 0 0 60 68,-2.4 -1,-0.1 1,-0.3 69,-0.1 0.755 108.2 54.8 -59.9 -27.9 74.7 119.4 53.2 50 50 A T T 3 S+ 0 0 126 67,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.398 80.2 124.0 -90.6 4.1 71.2 120.8 53.3 51 51 A S X - 0 0 20 -3,-1.8 3,-1.4 1,-0.1 4,-0.5 -0.353 67.5-131.9 -65.4 139.1 69.6 117.7 51.6 52 52 A P T >> S+ 0 0 108 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.711 102.2 76.9 -63.5 -16.4 66.8 115.9 53.5 53 53 A A H 3> S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.857 85.7 61.7 -58.0 -36.0 68.7 112.7 52.8 54 54 A L H <> S+ 0 0 14 -3,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.849 97.5 56.5 -62.5 -33.6 71.1 113.7 55.6 55 55 A K H <4 S+ 0 0 57 -3,-0.7 -1,-0.3 -4,-0.5 4,-0.2 0.873 110.0 45.6 -63.8 -37.6 68.2 113.6 58.1 56 56 A V H >< S+ 0 0 32 -4,-1.1 3,-2.0 -3,-0.3 -2,-0.2 0.948 111.8 51.2 -66.2 -50.2 67.6 110.0 57.0 57 57 A Y H >< S+ 0 0 22 -4,-3.0 3,-1.3 1,-0.3 -2,-0.2 0.842 102.7 61.1 -59.5 -30.8 71.3 109.1 57.2 58 58 A D T 3< S+ 0 0 107 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.587 93.0 66.7 -71.5 -11.2 71.5 110.6 60.7 59 59 A Q T < S- 0 0 101 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.214 110.4-116.6 -96.4 16.0 69.0 108.0 61.9 60 60 A N < - 0 0 137 -3,-1.3 -3,-0.1 1,-0.1 -2,-0.1 0.950 45.4-165.8 51.4 56.6 71.4 105.1 61.4 61 61 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 25,-0.3 -0.324 25.7-107.6 -67.3 160.0 69.1 103.5 58.7 62 62 A D E -A 21 0A 34 -41,-2.0 -41,-1.8 106,-0.2 2,-0.4 -0.645 45.8-154.8 -77.8 143.8 69.6 100.0 57.5 63 63 A I E +AC 20 84A 0 21,-0.5 21,-2.6 -2,-0.3 20,-0.3 -0.971 23.2 172.6-131.8 139.3 71.0 100.2 53.9 64 64 A A E -A 19 0A 0 -45,-2.3 -45,-3.2 -2,-0.4 2,-0.3 -0.966 11.8-179.0-133.5 150.9 71.0 98.1 50.8 65 65 A F E -AC 18 81A 1 16,-2.4 16,-2.1 -2,-0.3 2,-0.3 -0.988 17.9-165.3-144.6 164.0 72.2 98.9 47.3 66 66 A I E -AC 17 80A 20 -49,-1.2 -49,-2.9 -2,-0.3 14,-0.2 -0.983 27.1-124.2-141.5 138.0 72.6 97.6 43.8 67 67 A T E -A 16 0A 2 12,-2.3 -51,-0.2 -2,-0.3 -54,-0.0 -0.407 15.0-141.2 -75.7 158.1 74.8 99.1 41.1 68 68 A I E -A 15 0A 14 -53,-2.0 -54,-0.6 -2,-0.1 -53,-0.5 -0.991 24.6-120.3-119.8 125.9 73.5 100.2 37.7 69 69 A P E -A 13 0A 43 0, 0.0 -56,-0.2 0, 0.0 3,-0.1 -0.231 30.4 -98.1 -65.8 151.9 75.7 99.5 34.7 70 70 A N > - 0 0 51 -58,-3.1 3,-2.2 1,-0.1 145,-0.0 -0.370 53.6 -84.7 -57.3 145.8 76.9 102.2 32.5 71 71 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 146,-0.1 3,-0.1 -0.245 118.8 24.6 -51.5 131.5 75.0 102.8 29.2 72 72 A G T 3 S+ 0 0 58 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.352 85.2 142.2 92.5 -7.6 76.3 100.3 26.6 73 73 A T X - 0 0 44 -3,-2.2 3,-0.5 -61,-0.1 2,-0.3 -0.591 47.3-127.8 -78.6 131.3 77.6 97.7 29.1 74 74 A A T 3 S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.569 74.5 9.5 -78.6 132.0 77.1 94.1 28.0 75 75 A G T 3 S- 0 0 34 -2,-0.3 59,-1.3 1,-0.2 -1,-0.2 0.467 100.3 -90.9 92.2 9.8 75.5 91.4 30.1 76 76 A N < - 0 0 65 -3,-0.5 57,-0.2 57,-0.2 -1,-0.2 0.931 55.0-176.6 54.7 54.5 74.0 93.2 33.2 77 77 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.478 11.2 163.3 -70.8 159.6 76.9 93.0 35.7 78 78 A Y E - D 0 131A 48 53,-2.6 53,-2.8 -2,-0.1 2,-0.4 -0.989 37.0-132.6-167.8 159.4 76.3 94.4 39.2 79 79 A L E - D 0 130A 1 -2,-0.3 -12,-2.3 51,-0.2 2,-0.3 -0.931 27.0-173.0-110.6 149.0 77.3 94.6 42.8 80 80 A R E +CD 66 129A 97 49,-2.4 49,-2.9 -2,-0.4 2,-0.3 -0.999 6.3 172.5-145.0 136.8 74.7 94.1 45.5 81 81 A A E -C 65 0A 4 -16,-2.1 -16,-2.4 -2,-0.3 2,-0.3 -0.995 11.1-165.3-147.4 148.5 74.9 94.5 49.3 82 82 A Q E S+ 0 0 70 45,-0.4 45,-0.4 -2,-0.3 44,-0.3 -0.843 71.7 29.2-123.4 162.6 72.5 94.4 52.3 83 83 A H E S+ 0 0 102 -20,-0.3 2,-0.3 87,-0.3 -19,-0.2 0.871 79.1 176.6 54.1 43.6 73.0 95.6 55.9 84 84 A V E -C 63 0A 5 -21,-2.6 -21,-0.5 -3,-0.2 2,-0.4 -0.571 25.9-131.6 -81.6 137.7 75.5 98.2 54.8 85 85 A K E -H 124 0B 50 39,-2.1 39,-3.6 -2,-0.3 2,-0.4 -0.764 18.0-157.0 -92.5 128.7 76.9 100.6 57.5 86 86 A L E +H 123 0B 24 -2,-0.4 2,-0.3 -25,-0.3 37,-0.2 -0.907 20.5 160.5-106.0 137.9 76.8 104.4 56.6 87 87 A Q E -H 122 0B 91 35,-1.9 35,-3.0 -2,-0.4 2,-0.1 -0.991 43.0 -98.6-149.1 155.5 79.2 106.9 58.3 88 88 A R E -H 121 0B 124 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.428 44.9-131.2 -69.5 148.5 80.5 110.4 57.7 89 89 A S - 0 0 21 31,-2.0 31,-0.2 2,-0.2 -1,-0.1 -0.734 16.9-144.9-101.4 154.2 84.0 110.4 56.1 90 90 A T S S+ 0 0 137 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.519 81.8 96.3 -84.1 -10.0 87.2 112.2 57.0 91 91 A K - 0 0 95 29,-0.1 29,-0.3 3,-0.0 2,-0.3 -0.527 68.0-147.6 -73.7 147.1 87.7 112.3 53.2 92 92 A T >> - 0 0 74 -2,-0.2 4,-1.2 27,-0.1 3,-0.6 -0.725 28.0-105.4-106.6 168.0 86.6 115.5 51.4 93 93 A X H 3> S+ 0 0 8 25,-0.3 4,-2.0 -2,-0.3 26,-0.1 0.819 120.0 63.0 -63.7 -30.0 85.3 115.8 48.0 94 94 A T H 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.902 101.9 51.6 -63.3 -33.8 88.6 117.3 46.9 95 95 A D H <4 S+ 0 0 84 -3,-0.6 4,-0.2 1,-0.2 -1,-0.2 0.856 119.1 36.6 -62.3 -39.1 90.2 113.9 47.8 96 96 A L H >X S+ 0 0 2 -4,-1.2 4,-2.0 1,-0.2 3,-0.7 0.610 90.9 92.3 -90.7 -17.1 87.6 112.1 45.7 97 97 A L H 3X S+ 0 0 23 -4,-2.0 4,-3.1 1,-0.3 5,-0.3 0.841 79.4 58.5 -55.1 -43.0 87.2 114.6 42.8 98 98 A P H 3> S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.917 110.5 43.5 -51.1 -44.7 89.8 113.0 40.5 99 99 A Q H <> S+ 0 0 48 -3,-0.7 4,-2.0 -4,-0.2 -2,-0.2 0.874 112.4 52.9 -73.0 -38.1 87.9 109.7 40.5 100 100 A Y H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 7,-0.2 0.953 111.2 47.0 -56.1 -48.4 84.6 111.5 40.1 101 101 A L H < S+ 0 0 72 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 113.4 49.3 -63.7 -34.4 86.0 113.3 37.0 102 102 A E H < S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.872 125.6 24.0 -69.1 -36.9 87.4 110.1 35.6 103 103 A T H < S+ 0 0 42 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.584 109.0 66.8-114.4 -16.9 84.2 108.0 36.0 104 104 A V S >< S- 0 0 10 -4,-2.7 3,-1.7 -5,-0.2 4,-0.2 -0.938 79.8-126.4-115.9 106.5 81.2 110.4 36.0 105 105 A P T 3 S+ 0 0 96 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.259 87.1 0.5 -55.3 136.3 80.4 112.2 32.8 106 106 A N T >> S+ 0 0 132 -5,-0.2 3,-1.3 1,-0.1 4,-0.8 0.552 82.9 138.1 67.3 15.6 80.1 116.0 33.1 107 107 A Y H <> + 0 0 12 -3,-1.7 4,-2.9 1,-0.3 3,-0.5 0.814 56.5 74.8 -63.7 -27.0 80.8 116.0 36.8 108 108 A Q H 3> S+ 0 0 72 1,-0.2 4,-2.8 -4,-0.2 -1,-0.3 0.881 96.1 50.0 -51.2 -40.0 83.0 119.1 36.5 109 109 A Q H <> S+ 0 0 121 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.847 110.2 49.4 -74.4 -27.2 79.8 121.2 36.0 110 110 A V H X S+ 0 0 64 -4,-0.8 4,-2.6 -3,-0.5 5,-0.4 0.952 113.6 46.9 -69.2 -50.5 78.2 119.7 39.1 111 111 A W H X S+ 0 0 51 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.922 111.0 51.2 -53.9 -48.8 81.4 120.4 41.1 112 112 A D H < S+ 0 0 107 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.852 116.1 42.8 -61.2 -33.5 81.6 124.0 39.8 113 113 A A H < S- 0 0 78 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.939 138.2 -1.3 -76.7 -50.8 78.0 124.6 40.8 114 114 A I H >< S+ 0 0 68 -4,-2.6 3,-2.1 -5,-0.1 4,-0.3 0.272 87.1 119.6-131.8 6.8 77.7 123.1 44.2 115 115 A G G >< S+ 0 0 5 -4,-2.4 3,-1.6 -5,-0.4 -22,-0.1 0.810 73.2 58.0 -54.4 -41.0 81.0 121.4 45.2 116 116 A S G 3 S+ 0 0 122 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.710 104.6 54.8 -64.9 -18.7 81.7 123.5 48.3 117 117 A T G < S+ 0 0 53 -3,-2.1 -68,-2.4 2,-0.0 -1,-0.3 0.451 83.8 113.5 -92.1 -3.2 78.4 122.3 49.8 118 118 A L E < -G 48 0B 27 -3,-1.6 2,-0.4 -4,-0.3 -25,-0.3 -0.503 48.3-159.1 -80.5 141.5 79.0 118.5 49.4 119 119 A V E -G 47 0B 28 -72,-2.6 -72,-1.7 -2,-0.2 2,-0.4 -0.978 16.3-133.4-114.3 131.0 79.4 116.1 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