==== 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 15-DEC-04 1WVF . COMPND 2 MOLECULE: 4-CRESOL DEHYDROGENASE [HYDROXYLATING] FLAVOPROTE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR L.M.CUNANE,Z.-W.CHEN,W.S.MCINTIRE,F.S.MATHEWS . 515 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 41 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 2 2 0 1 1 0 1 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 2 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 7 A A 0 0 123 0, 0.0 2,-0.6 0, 0.0 52,-0.1 0.000 360.0 360.0 360.0 131.3 25.9 26.5 23.2 2 8 A V + 0 0 42 50,-0.2 96,-0.0 51,-0.1 46,-0.0 -0.767 360.0 173.9 -88.2 121.3 24.1 24.6 20.5 3 9 A L - 0 0 48 -2,-0.6 3,-0.1 1,-0.1 96,-0.1 -0.878 38.3 -90.0-123.9 156.3 21.1 26.6 19.2 4 10 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 94,-0.2 -0.288 66.4 -72.1 -62.8 154.5 18.7 25.9 16.3 5 11 A K T 3 S- 0 0 120 92,-0.5 3,-0.1 1,-0.3 93,-0.0 -0.209 113.9 -10.6 -50.5 123.2 19.8 27.4 12.9 6 12 A G T 3 S+ 0 0 89 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.569 103.2 129.2 61.3 12.1 19.4 31.2 12.9 7 13 A V < - 0 0 24 -3,-2.1 -1,-0.2 1,-0.0 2,-0.1 -0.816 54.8-124.6-101.9 137.0 17.5 31.2 16.2 8 14 A T > - 0 0 84 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.334 17.2-118.2 -79.4 159.3 18.5 33.5 19.0 9 15 A Q H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 115.3 55.0 -59.2 -41.0 19.4 32.5 22.6 10 16 A G H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 110.0 43.2 -61.3 -43.2 16.4 34.7 23.8 11 17 A E H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 113.6 51.9 -71.5 -36.7 13.9 32.9 21.6 12 18 A F H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.931 108.2 52.1 -63.2 -42.5 15.3 29.5 22.4 13 19 A N H X S+ 0 0 72 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.884 108.0 51.8 -60.3 -39.6 15.0 30.4 26.2 14 20 A K H X S+ 0 0 96 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.895 110.7 47.6 -64.1 -41.9 11.3 31.4 25.7 15 21 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.933 111.7 49.7 -66.3 -44.8 10.6 28.0 24.0 16 22 A V H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.904 109.0 53.5 -61.2 -41.1 12.4 26.1 26.7 17 23 A Q H X S+ 0 0 123 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.953 113.4 42.7 -55.5 -50.4 10.4 28.0 29.4 18 24 A K H X S+ 0 0 81 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.865 110.8 54.5 -66.7 -38.7 7.2 27.0 27.6 19 25 A F H X S+ 0 0 2 -4,-3.0 4,-3.2 1,-0.2 5,-0.5 0.921 110.6 47.9 -61.5 -42.5 8.3 23.4 27.0 20 26 A R H X S+ 0 0 94 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.907 111.3 49.4 -65.3 -39.8 9.0 23.1 30.8 21 27 A A H < S+ 0 0 92 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 118.8 40.3 -65.3 -37.9 5.6 24.6 31.7 22 28 A L H < S+ 0 0 58 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 132.4 19.1 -77.0 -43.4 4.0 22.2 29.3 23 29 A L H < S- 0 0 9 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.658 104.3-109.6-106.2 -19.9 5.9 19.0 30.0 24 30 A G >< - 0 0 24 -4,-2.2 3,-2.2 -5,-0.5 4,-0.1 0.095 35.4 -86.0 97.1 145.6 7.6 19.4 33.4 25 31 A D G > S+ 0 0 117 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.834 125.2 65.6 -53.3 -37.1 11.4 19.9 33.9 26 32 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.488 103.6 47.6 -66.3 -3.3 11.9 16.1 33.9 27 33 A N G < S+ 0 0 14 -3,-2.2 30,-2.0 1,-0.1 2,-0.5 0.208 96.6 76.8-121.6 11.5 10.9 16.1 30.3 28 34 A V E < -A 56 0A 4 -3,-1.8 2,-0.6 28,-0.2 28,-0.2 -0.964 61.2-169.9-126.8 112.1 13.0 18.9 29.0 29 35 A L E +A 55 0A 29 26,-3.4 26,-1.9 -2,-0.5 -3,-0.1 -0.899 27.3 143.5-109.6 112.0 16.7 18.0 28.5 30 36 A V + 0 0 39 -2,-0.6 2,-0.2 24,-0.2 -1,-0.1 0.479 41.0 103.1-122.5 -6.4 19.1 20.8 27.8 31 37 A E S >> S- 0 0 104 1,-0.1 4,-1.7 2,-0.0 3,-0.6 -0.573 74.1-124.0 -84.4 142.3 22.3 19.8 29.6 32 38 A S H 3> S+ 0 0 98 1,-0.3 4,-1.1 -2,-0.2 3,-0.3 0.877 111.2 52.0 -46.4 -50.8 25.3 18.3 27.8 33 39 A D H 34 S+ 0 0 114 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.865 109.3 50.2 -56.6 -40.3 25.3 15.1 29.8 34 40 A Q H <4 S+ 0 0 68 -3,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.800 110.6 50.2 -69.8 -30.4 21.6 14.6 29.1 35 41 A L H >X S+ 0 0 16 -4,-1.7 4,-1.5 -3,-0.3 3,-0.6 0.621 83.9 94.0 -84.9 -12.3 22.1 15.0 25.4 36 42 A V H >X S+ 0 0 88 -4,-1.1 4,-0.7 -3,-0.4 3,-0.7 0.897 85.2 46.4 -48.3 -52.8 25.0 12.6 25.2 37 43 A P H 34 S+ 0 0 83 0, 0.0 3,-0.5 0, 0.0 55,-0.3 0.846 111.2 54.3 -63.7 -28.4 23.0 9.5 24.2 38 44 A Y H <4 S+ 0 0 13 -3,-0.6 -2,-0.2 -4,-0.3 54,-0.1 0.773 103.9 55.4 -72.9 -26.0 21.1 11.6 21.6 39 45 A N H << S+ 0 0 26 -4,-1.5 2,-0.2 -3,-0.7 -1,-0.2 0.593 75.3 118.8 -85.9 -10.5 24.2 12.8 19.9 40 46 A K < + 0 0 139 -4,-0.7 52,-0.6 -3,-0.5 53,-0.4 -0.388 38.6 167.3 -61.9 122.7 25.7 9.3 19.2 41 47 A I - 0 0 10 -2,-0.2 6,-0.1 50,-0.1 46,-0.1 -0.917 38.3-155.0-135.7 159.3 26.1 8.8 15.4 42 48 A M + 0 0 29 -2,-0.3 344,-1.7 344,-0.2 -2,-0.1 0.233 61.0 115.0-116.3 9.7 27.9 6.3 13.1 43 49 A M S S- 0 0 1 342,-0.2 2,-2.9 2,-0.1 -2,-0.1 -0.533 81.0-104.2 -82.4 147.3 28.2 8.7 10.2 44 50 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.281 91.9 82.5 -73.4 62.6 31.6 9.9 8.9 45 51 A V S S- 0 0 27 -2,-2.9 -4,-0.1 -4,-0.0 -2,-0.1 -0.968 88.8 -84.6-157.3 154.5 31.4 13.4 10.4 46 52 A E > - 0 0 138 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.299 40.4-112.1 -65.8 150.3 32.0 14.8 13.8 47 53 A N G > S+ 0 0 67 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.841 111.1 70.9 -48.6 -38.9 29.2 14.7 16.4 48 54 A A G > S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.805 84.9 67.5 -52.7 -31.7 28.8 18.5 16.2 49 55 A A G < S+ 0 0 33 -3,-1.8 48,-0.6 1,-0.3 -1,-0.3 0.704 114.3 28.1 -65.7 -18.6 27.3 18.3 12.8 50 56 A H G < S+ 0 0 9 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.007 87.0 142.2-128.8 26.4 24.2 16.6 14.2 51 57 A A < - 0 0 6 -3,-1.4 47,-3.5 42,-0.1 48,-0.2 -0.539 43.7-137.0 -74.5 128.4 24.2 17.9 17.7 52 58 A P - 0 0 2 0, 0.0 48,-0.2 0, 0.0 -50,-0.2 -0.512 5.5-142.4 -81.7 154.7 20.7 18.7 19.1 53 59 A S S S- 0 0 7 46,-1.9 2,-0.3 1,-0.3 47,-0.2 0.707 79.4 -26.9 -84.7 -22.7 20.0 21.9 21.0 54 60 A A E - b 0 100A 2 45,-0.7 47,-2.8 -19,-0.1 2,-0.4 -0.962 56.1-129.6-174.6 171.8 17.7 20.0 23.4 55 61 A A E -Ab 29 101A 0 -26,-1.9 -26,-3.4 -2,-0.3 2,-0.4 -0.993 15.4-165.2-138.5 137.3 15.4 17.0 23.7 56 62 A V E -Ab 28 102A 0 45,-2.8 47,-2.8 -2,-0.4 2,-0.8 -0.989 9.8-150.0-125.7 133.5 11.8 17.0 25.0 57 63 A T E - b 0 103A 5 -30,-2.0 2,-0.2 -2,-0.4 47,-0.2 -0.859 16.3-168.4-107.1 99.6 10.0 13.8 25.9 58 64 A A - 0 0 0 -2,-0.8 48,-0.4 45,-0.7 49,-0.3 -0.598 11.8-173.9 -84.3 148.7 6.2 14.2 25.3 59 65 A T + 0 0 49 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.716 62.6 41.0-112.9 -26.1 3.8 11.6 26.7 60 66 A T S > S- 0 0 54 1,-0.1 4,-1.9 47,-0.1 5,-0.2 -0.800 77.2-116.0-125.6 161.9 0.4 12.6 25.3 61 67 A V H > S+ 0 0 13 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.892 116.9 56.9 -59.8 -40.0 -1.1 13.8 22.1 62 68 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 105.7 50.8 -61.1 -36.2 -2.1 17.1 23.9 63 69 A Q H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 108.7 50.9 -68.3 -37.8 1.6 17.6 24.8 64 70 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 109.6 50.7 -64.6 -39.7 2.7 17.0 21.2 65 71 A Q H X S+ 0 0 61 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.904 110.7 49.9 -61.4 -39.5 0.1 19.6 20.1 66 72 A G H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.890 107.4 54.7 -65.4 -39.3 1.5 22.0 22.7 67 73 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.941 108.8 46.1 -61.6 -46.8 5.0 21.4 21.4 68 74 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.860 108.9 56.2 -67.4 -30.9 4.2 22.3 17.9 69 75 A K H X S+ 0 0 126 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.960 111.7 43.3 -59.9 -48.8 2.3 25.4 19.1 70 76 A I H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.906 111.7 54.5 -62.8 -44.7 5.5 26.6 20.9 71 77 A C H X>S+ 0 0 0 -4,-2.8 5,-1.7 1,-0.2 4,-0.9 0.898 109.7 46.7 -58.9 -40.1 7.7 25.6 17.9 72 78 A N H <5S+ 0 0 28 -4,-2.3 3,-0.4 3,-0.2 -1,-0.2 0.914 110.3 54.2 -68.4 -38.8 5.5 27.8 15.6 73 79 A E H <5S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 125.0 22.4 -61.7 -40.3 5.6 30.7 18.1 74 80 A H H <5S- 0 0 20 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.248 105.6-116.2-115.9 15.3 9.4 30.7 18.3 75 81 A K T <5 + 0 0 105 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.907 52.4 167.7 50.5 52.0 10.3 29.1 15.0 76 82 A I < - 0 0 0 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.2 -0.848 29.3-139.3 -97.9 120.6 12.0 26.1 16.7 77 83 A P - 0 0 15 0, 0.0 23,-2.6 0, 0.0 2,-0.4 -0.627 19.8-158.4 -81.6 134.2 12.7 23.1 14.3 78 84 A I E -cd 100 502A 0 423,-2.9 425,-3.0 -2,-0.3 2,-0.6 -0.943 12.6-152.7-119.3 139.7 12.0 19.7 15.9 79 85 A W E -c 101 0A 20 21,-2.9 23,-2.5 -2,-0.4 2,-0.4 -0.934 21.6-147.9-108.3 114.7 13.3 16.3 14.9 80 86 A T E +c 102 0A 43 -2,-0.6 2,-0.3 21,-0.2 23,-0.2 -0.699 21.5 170.8 -92.1 133.6 10.9 13.6 15.8 81 87 A I E -c 103 0A 16 21,-2.3 23,-2.4 -2,-0.4 24,-0.1 -0.927 17.8-165.4-132.0 155.4 11.9 10.1 16.9 82 88 A S S S- 0 0 11 -2,-0.3 -1,-0.2 21,-0.2 25,-0.1 0.789 88.5 -10.6-104.0 -73.3 9.9 7.2 18.3 83 89 A T S S- 0 0 24 71,-0.1 42,-0.1 21,-0.1 9,-0.1 0.519 86.1-142.0-105.9 -10.0 12.2 4.6 19.8 84 90 A G + 0 0 15 1,-0.1 69,-0.1 7,-0.1 9,-0.1 0.575 57.6 129.8 64.2 19.6 15.4 6.2 18.2 85 91 A R + 0 0 88 1,-0.1 2,-2.1 67,-0.1 65,-0.1 -0.073 19.3 139.1 -96.1 36.9 17.3 3.1 17.2 86 92 A N > > + 0 0 43 5,-0.4 5,-2.5 3,-0.1 3,-2.2 -0.174 29.6 176.1 -80.3 49.9 18.0 4.2 13.6 87 93 A F T 3 5 + 0 0 37 -2,-2.1 300,-0.1 1,-0.3 -2,-0.1 -0.292 67.7 19.2 -57.9 131.5 21.6 2.9 13.6 88 94 A G T 3 5S+ 0 0 1 298,-0.3 300,-1.9 299,-0.1 382,-0.3 0.346 121.2 65.6 87.2 -5.4 23.2 3.3 10.3 89 95 A Y T < 5S- 0 0 11 -3,-2.2 382,-0.9 298,-0.2 -2,-0.2 0.197 133.7 -66.5-128.1 10.1 20.6 5.9 9.3 90 96 A G T > 5 - 0 0 1 380,-0.2 3,-1.3 -4,-0.2 -3,-0.2 0.344 60.7-134.6 118.9 -5.7 21.5 8.6 11.8 91 97 A S T 3 < - 0 0 13 -5,-2.5 -5,-0.4 1,-0.2 -50,-0.1 -0.313 67.9 -34.9 57.4-131.4 20.6 7.0 15.1 92 98 A A T 3 S+ 0 0 13 -52,-0.6 -1,-0.2 -55,-0.3 -51,-0.1 0.486 107.8 110.9-101.9 -1.0 18.6 9.5 17.3 93 99 A A S < S- 0 0 0 -3,-1.3 -42,-0.1 -53,-0.4 378,-0.1 -0.352 72.5-100.0 -77.7 150.1 20.4 12.6 16.3 94 100 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.204 19.3-122.6 -68.6 158.9 18.7 15.4 14.2 95 101 A V S S+ 0 0 15 1,-0.1 2,-0.4 409,-0.1 379,-0.1 0.826 100.9 37.4 -68.7 -30.0 19.2 15.8 10.4 96 102 A Q S > S- 0 0 38 -46,-0.1 3,-1.6 408,-0.1 -46,-0.1 -0.966 96.5-104.0-125.6 139.4 20.4 19.4 11.1 97 103 A R T 3 S+ 0 0 112 -48,-0.6 -92,-0.5 -2,-0.4 -47,-0.1 -0.300 103.0 27.1 -55.4 138.1 22.6 20.7 13.9 98 104 A G T 3 S+ 0 0 0 -47,-3.5 -1,-0.2 1,-0.3 -45,-0.1 0.301 81.9 137.5 93.9 -9.8 20.6 22.6 16.5 99 105 A Q < - 0 0 1 -3,-1.6 -46,-1.9 -48,-0.2 -45,-0.7 -0.338 56.3-120.0 -68.3 153.4 17.2 21.0 16.1 100 106 A V E -bc 54 78A 0 -23,-2.6 -21,-2.9 -48,-0.2 2,-0.5 -0.811 27.2-129.9 -88.6 133.3 15.3 20.1 19.2 101 107 A I E -bc 55 79A 0 -47,-2.8 -45,-2.8 -2,-0.5 2,-0.9 -0.749 9.6-153.7 -87.3 125.1 14.6 16.4 19.4 102 108 A L E -bc 56 80A 0 -23,-2.5 -21,-2.3 -2,-0.5 2,-0.7 -0.901 19.6-165.0 -95.8 103.2 10.9 15.5 20.0 103 109 A D E -bc 57 81A 5 -47,-2.8 -45,-0.7 -2,-0.9 3,-0.4 -0.858 15.2-176.7 -97.0 113.3 11.4 12.1 21.6 104 110 A L > + 0 0 0 -23,-2.4 3,-2.1 -2,-0.7 21,-0.5 0.220 46.9 115.8 -96.5 17.6 8.2 10.1 21.8 105 111 A K T 3 S+ 0 0 107 1,-0.3 -1,-0.2 19,-0.1 -46,-0.1 0.758 73.6 57.0 -59.5 -25.6 9.6 7.1 23.7 106 112 A K T 3 S+ 0 0 82 -3,-0.4 2,-1.8 -48,-0.4 -1,-0.3 0.602 84.9 82.0 -79.5 -12.4 7.4 7.8 26.7 107 113 A M < + 0 0 0 -3,-2.1 18,-3.4 -49,-0.3 19,-0.5 -0.674 64.5 141.2 -88.9 77.9 4.3 7.6 24.5 108 114 A N + 0 0 58 -2,-1.8 2,-0.4 17,-0.3 19,-0.2 -0.053 10.6 132.8-121.9 35.2 4.5 3.8 24.8 109 115 A K - 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0 0 10 -425,-3.0 3,-2.4 -2,-1.0 6,-0.2 0.772 65.0-154.0 37.6 55.0 12.3 18.3 10.8 504 510 A P T 3 S+ 0 0 4 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 -0.354 80.7 37.6 -59.5 134.0 13.5 20.5 8.0 505 511 A G T > S+ 0 0 8 4,-2.6 3,-2.5 1,-0.4 5,-0.2 0.060 78.5 138.6 110.0 -24.4 16.1 18.5 6.0 506 512 A R G X S- 0 0 28 -3,-2.4 3,-2.1 3,-0.4 -1,-0.4 -0.386 89.2 -10.4 -55.3 123.7 14.2 15.2 6.3 507 513 A S G 3 S- 0 0 22 1,-0.3 -1,-0.3 -38,-0.1 3,-0.1 0.769 128.5 -64.5 53.3 27.3 14.4 13.5 2.9 508 514 A G G < S+ 0 0 0 -3,-2.5 2,-0.7 1,-0.2 -1,-0.3 0.741 100.2 138.6 71.2 22.6 15.7 16.8 1.6 509 515 A I < + 0 0 2 -3,-2.1 -4,-2.6 -6,-0.2 -3,-0.4 -0.894 16.8 138.5-104.9 112.0 12.5 18.7 2.3 510 516 A D > - 0 0 7 -2,-0.7 3,-2.6 -6,-0.3 5,-0.2 -0.928 52.1-138.4-155.8 123.0 13.3 22.1 3.8 511 517 A L T 3 S+ 0 0 38 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.647 101.8 71.3 -63.3 -10.7 11.6 25.4 3.0 512 518 A N T 3 S+ 0 0 113 -12,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.686 82.6 96.6 -75.5 -14.1 15.0 27.1 3.0 513 519 A N S < S- 0 0 43 -3,-2.6 2,-1.7 1,-0.1 -4,-0.0 -0.393 89.2-115.1 -72.9 154.5 15.6 25.2 -0.3 514 520 A D 0 0 162 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.511 360.0 360.0 -88.1 67.6 15.1 26.9 -3.6 515 521 A F 0 0 78 -2,-1.7 -28,-0.1 -5,-0.2 -2,-0.0 -0.982 360.0 360.0-134.9 360.0 12.2 24.6 -4.7