==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-12 3VEE . COMPND 2 MOLECULE: DYPB; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR J.C.GRIGG,R.SINGH,Z.ARMSTRONG,L.D.ELTIS,M.E.P.MURPHY . 925 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 67.9 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 . 207 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 68 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 3 3 4 2 9 0 0 0 4 2 0 3 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 . 18 6 3 0 6 3 3 3 3 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 . 3 3 0 0 0 0 0 0 0 3 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 6 A A > 0 0 100 0, 0.0 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 97.9 -45.6 -9.8 7.7 2 7 A R T 3 - 0 0 42 1,-0.2 53,-0.1 55,-0.0 52,-0.1 -0.516 360.0 -28.1 -76.5 127.9 -43.2 -6.9 8.3 3 8 A L T 3 S+ 0 0 4 51,-0.6 -1,-0.2 53,-0.4 54,-0.1 0.734 91.6 141.1 41.7 42.1 -43.2 -3.9 5.9 4 9 A A X - 0 0 5 -3,-0.6 3,-0.7 40,-0.1 54,-0.4 -0.939 52.3-119.8-110.2 133.2 -44.4 -5.8 2.9 5 10 A P T 3 S+ 0 0 4 0, 0.0 297,-0.2 0, 0.0 54,-0.2 -0.310 93.3 31.3 -64.5 158.4 -46.9 -4.2 0.5 6 11 A Q T 3 + 0 0 12 52,-2.0 2,-1.8 1,-0.2 53,-0.2 0.746 69.2 159.9 69.3 26.1 -50.3 -6.0 -0.1 7 12 A A X + 0 0 11 -3,-0.7 3,-0.8 51,-0.4 -1,-0.2 -0.596 6.1 168.7 -80.2 82.4 -50.5 -7.4 3.5 8 13 A V T 3 + 0 0 4 -2,-1.8 -1,-0.2 1,-0.2 251,-0.1 0.799 65.4 61.9 -65.8 -30.0 -54.2 -7.9 3.4 9 14 A L T 3 + 0 0 71 -3,-0.2 -1,-0.2 145,-0.0 146,-0.2 -0.003 69.5 135.0 -94.1 32.7 -54.2 -10.0 6.6 10 15 A T < - 0 0 31 -3,-0.8 3,-0.1 1,-0.1 47,-0.0 -0.540 55.8-117.3 -81.6 143.5 -52.9 -7.4 9.1 11 16 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 229,-0.0 -0.166 48.1 -67.8 -70.0 175.5 -54.7 -7.2 12.4 12 17 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 92,-0.0 -0.193 53.2-155.4 -61.1 156.0 -56.5 -4.0 13.5 13 18 A S - 0 0 23 -3,-0.1 93,-0.2 227,-0.1 3,-0.1 -0.828 28.1-116.2-129.1 167.5 -54.4 -0.9 14.2 14 19 A A S S+ 0 0 49 -2,-0.3 122,-2.3 91,-0.2 2,-0.3 0.769 100.1 23.4 -71.0 -27.7 -54.8 2.3 16.3 15 20 A A E +AB 105 135A 12 90,-1.9 90,-1.8 120,-0.2 2,-0.3 -0.962 63.7 176.2-141.0 151.5 -54.7 4.4 13.2 16 21 A S E -AB 104 134A 4 118,-1.9 118,-1.4 -2,-0.3 2,-0.4 -0.987 17.1-146.6-151.5 162.4 -55.4 4.1 9.5 17 22 A L E -AB 103 133A 2 86,-3.0 86,-3.1 -2,-0.3 2,-0.6 -0.999 7.7-165.2-132.3 127.2 -55.4 6.2 6.3 18 23 A F E +AB 102 132A 0 114,-2.5 114,-2.1 -2,-0.4 2,-0.5 -0.956 12.2 179.8-114.7 113.5 -57.8 5.6 3.4 19 24 A L E -AB 101 131A 0 82,-2.6 82,-2.5 -2,-0.6 2,-0.5 -0.968 7.0-171.9-119.5 121.0 -56.8 7.4 0.2 20 25 A V E -AB 100 130A 3 110,-3.1 109,-3.4 -2,-0.5 110,-1.9 -0.957 13.6-178.3-113.7 130.0 -58.9 7.1 -3.0 21 26 A L E -AB 99 128A 3 78,-2.5 77,-3.2 -2,-0.5 78,-2.3 -0.921 24.2-145.0-129.7 150.3 -57.5 8.6 -6.2 22 27 A V E - B 0 127A 45 105,-2.5 105,-2.3 -2,-0.3 2,-0.2 -0.960 26.6-133.8-110.1 133.2 -58.3 9.0 -9.9 23 28 A A E - B 0 126A 7 -2,-0.4 103,-0.3 103,-0.2 102,-0.1 -0.494 25.3 -99.5 -82.8 154.1 -55.5 8.8 -12.5 24 29 A G - 0 0 17 101,-2.2 6,-0.1 -2,-0.2 -1,-0.1 -0.332 25.7-121.3 -66.9 154.1 -55.0 11.3 -15.3 25 30 A D S S+ 0 0 156 4,-0.1 -1,-0.1 -2,-0.0 100,-0.0 0.709 81.1 98.1 -65.4 -25.7 -56.1 10.5 -18.9 26 31 A S S > S- 0 0 50 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.292 80.0-124.3 -75.0 153.6 -52.6 10.8 -20.4 27 32 A D H > S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.745 114.6 55.7 -61.1 -26.8 -50.2 7.9 -21.2 28 33 A D H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 104.1 50.6 -74.6 -42.5 -47.7 9.7 -19.1 29 34 A D H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.942 109.1 53.5 -55.7 -48.7 -50.0 9.8 -16.1 30 35 A R H X S+ 0 0 70 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.879 110.7 46.5 -51.9 -43.7 -50.6 6.1 -16.5 31 36 A A H X S+ 0 0 56 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.815 111.8 49.2 -73.8 -34.9 -46.8 5.5 -16.5 32 37 A T H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.963 112.9 47.4 -66.2 -50.2 -46.2 7.6 -13.4 33 38 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.894 114.5 47.4 -57.8 -44.4 -49.0 5.9 -11.5 34 39 A C H X S+ 0 0 13 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.875 110.1 52.1 -66.9 -37.6 -47.7 2.5 -12.5 35 40 A D H X S+ 0 0 118 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.921 113.9 44.7 -63.2 -40.7 -44.1 3.4 -11.6 36 41 A V H < S+ 0 0 18 -4,-2.5 3,-0.3 2,-0.2 -2,-0.2 0.951 115.9 42.1 -71.2 -51.5 -45.3 4.5 -8.1 37 42 A I H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.846 112.6 54.6 -69.7 -31.1 -47.6 1.7 -7.2 38 43 A S H 3< S+ 0 0 21 -4,-1.9 3,-0.2 -5,-0.3 -1,-0.2 0.804 115.4 39.3 -72.4 -28.1 -45.2 -1.0 -8.6 39 44 A G T >< S+ 0 0 33 -4,-1.2 3,-2.2 -3,-0.3 -1,-0.3 -0.003 77.2 128.4-105.3 29.1 -42.4 0.3 -6.4 40 45 A I T <> + 0 0 1 -3,-1.1 4,-2.0 1,-0.3 -1,-0.2 0.708 57.4 74.8 -62.1 -21.9 -44.6 1.0 -3.4 41 46 A D H 3> S+ 0 0 37 -3,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.765 88.0 66.1 -60.8 -24.0 -42.2 -1.0 -1.1 42 47 A G H <> S+ 0 0 16 -3,-2.2 4,-3.0 2,-0.2 3,-0.2 0.995 107.3 32.7 -60.2 -70.2 -39.9 2.0 -1.3 43 48 A P H > S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 5,-0.5 0.896 116.9 60.8 -52.8 -40.2 -42.0 4.6 0.5 44 49 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.917 114.0 33.6 -54.4 -48.2 -43.4 1.8 2.7 45 50 A K H X S+ 0 0 15 -4,-2.2 4,-2.2 3,-0.2 5,-0.3 0.851 112.1 62.7 -75.4 -34.3 -39.9 1.0 4.0 46 51 A A H < S+ 0 0 2 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.869 121.5 22.6 -62.1 -37.2 -38.7 4.6 3.9 47 52 A V H >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 4,-0.2 0.873 125.1 52.2 -87.6 -48.8 -41.4 5.6 6.5 48 53 A G H >< S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.5 6,-0.3 0.857 97.5 62.3 -68.6 -39.5 -42.0 2.2 8.1 49 54 A F T 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.3 -3,-0.1 0.715 90.2 73.4 -57.5 -19.7 -38.5 1.2 9.0 50 55 A R T < S+ 0 0 6 -3,-1.4 2,-0.6 -5,-0.3 -1,-0.3 0.631 85.4 73.0 -73.9 -14.2 -38.3 4.3 11.3 51 56 A E S X S- 0 0 16 -3,-2.1 3,-1.1 -4,-0.2 5,-0.1 -0.911 76.9-145.4-101.4 123.1 -40.6 2.6 13.8 52 57 A L T 3 S+ 0 0 60 -2,-0.6 -1,-0.2 1,-0.2 706,-0.0 0.926 99.8 51.8 -44.9 -57.0 -38.9 -0.2 15.8 53 58 A A T 3 S- 0 0 81 -3,-0.1 -1,-0.2 1,-0.1 -4,-0.1 0.676 95.7-143.2 -57.0 -25.7 -42.2 -2.2 15.9 54 59 A G < + 0 0 11 -3,-1.1 -51,-0.6 -6,-0.3 -2,-0.1 0.913 43.6 152.6 60.5 45.8 -42.7 -2.0 12.1 55 60 A S + 0 0 44 -7,-0.2 -1,-0.1 -53,-0.1 49,-0.1 0.679 30.3 115.5 -79.2 -19.1 -46.5 -1.7 12.4 56 61 A L + 0 0 3 -8,-0.2 -53,-0.4 -5,-0.1 2,-0.3 -0.278 38.6 172.3 -60.7 125.6 -46.8 0.3 9.1 57 62 A S E -C 104 0A 7 47,-2.8 47,-2.0 -54,-0.1 2,-0.3 -0.951 14.6-168.3-129.6 157.6 -48.8 -1.5 6.3 58 63 A C E -C 103 0A 0 -54,-0.4 -52,-2.0 -2,-0.3 2,-0.5 -0.931 1.0-169.4-146.6 113.7 -50.0 -0.3 2.9 59 64 A V E -C 102 0A 2 43,-2.6 43,-2.6 -2,-0.3 2,-0.5 -0.950 12.8-152.6-106.7 125.3 -52.4 -2.2 0.6 60 65 A V E -C 101 0A 0 -2,-0.5 2,-0.4 41,-0.2 41,-0.2 -0.854 10.2-167.8 -97.7 126.0 -52.7 -0.9 -2.9 61 66 A G E -C 100 0A 0 39,-2.9 39,-2.2 -2,-0.5 2,-0.4 -0.879 5.5-154.6-109.2 146.5 -56.0 -1.4 -4.8 62 67 A V E -CD 99 298A 0 236,-2.9 236,-2.9 -2,-0.4 37,-0.2 -0.981 15.6-129.0-121.1 130.5 -56.6 -0.9 -8.5 63 68 A G > - 0 0 3 35,-2.8 4,-2.3 -2,-0.4 234,-0.2 -0.275 25.1-111.7 -68.8 160.1 -60.0 -0.1 -10.1 64 69 A A H > S+ 0 0 6 232,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.930 115.0 49.7 -59.2 -49.0 -61.4 -2.1 -13.1 65 70 A Q H > S+ 0 0 148 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.920 114.1 44.1 -57.4 -47.5 -61.1 0.8 -15.6 66 71 A F H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.876 108.1 58.7 -67.9 -36.1 -57.5 1.6 -14.7 67 72 A W H >X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 3,-1.5 0.938 102.5 54.3 -56.5 -44.6 -56.6 -2.0 -14.7 68 73 A D H 3< S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 103.1 57.3 -60.2 -30.4 -57.7 -2.2 -18.3 69 74 A R H 3< S+ 0 0 70 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.701 119.5 28.3 -70.3 -22.1 -55.4 0.7 -19.2 70 75 A V H << S+ 0 0 37 -3,-1.5 -2,-0.2 -4,-0.8 -1,-0.1 0.674 132.1 27.3-118.3 -23.6 -52.3 -1.1 -17.9 71 76 A S < + 0 0 20 -4,-2.6 -2,-0.1 -5,-0.2 -1,-0.1 -0.503 61.7 156.0-140.2 63.7 -52.9 -4.9 -18.3 72 77 A A S S+ 0 0 85 -4,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.852 73.9 58.3 -57.0 -36.3 -55.4 -5.2 -21.2 73 78 A S S S+ 0 0 119 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.974 110.1 30.3 -60.8 -65.4 -54.1 -8.8 -21.7 74 79 A S - 0 0 53 96,-0.0 -1,-0.2 -6,-0.0 0, 0.0 -0.884 64.3-179.1-112.0 132.4 -54.8 -10.5 -18.3 75 80 A K - 0 0 80 -2,-0.5 2,-0.1 -3,-0.1 96,-0.1 -0.928 34.3-107.1-121.9 142.9 -57.7 -9.7 -15.9 76 81 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 92,-0.0 -0.462 42.1-110.2 -62.1 142.3 -58.6 -11.1 -12.4 77 82 A A T 3 S+ 0 0 61 1,-0.3 185,-0.0 -2,-0.1 91,-0.0 0.715 110.7 32.0 -51.1 -29.0 -61.7 -13.3 -12.8 78 83 A H T 3 S+ 0 0 61 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.316 78.8 131.6-120.9 8.2 -64.0 -10.9 -10.9 79 84 A L < + 0 0 8 -3,-1.5 -16,-0.1 -15,-0.1 219,-0.0 -0.517 26.1 127.0 -70.4 121.1 -62.7 -7.4 -11.5 80 85 A H - 0 0 59 -2,-0.4 -16,-0.2 3,-0.0 3,-0.1 -0.943 62.5 -77.9-158.9 162.8 -65.5 -4.9 -12.5 81 86 A P - 0 0 74 0, 0.0 214,-0.1 0, 0.0 216,-0.1 -0.286 63.1 -79.9 -67.2 160.4 -66.6 -1.5 -11.3 82 87 A F - 0 0 12 214,-0.2 12,-0.1 13,-0.2 212,-0.0 -0.351 46.1-127.3 -59.0 137.5 -68.7 -1.2 -8.1 83 88 A V - 0 0 62 -3,-0.1 -1,-0.1 10,-0.1 9,-0.1 -0.795 19.6-133.8 -94.7 114.8 -72.4 -2.0 -8.7 84 89 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 10,-0.0 -0.253 18.3-151.1 -62.8 153.2 -74.8 0.7 -7.5 85 90 A L E -K 92 0B 9 7,-2.1 7,-2.0 185,-0.0 2,-0.5 -0.997 11.3-164.9-130.2 134.8 -77.8 -0.5 -5.5 86 91 A S E -K 91 0B 102 -2,-0.4 5,-0.2 5,-0.2 188,-0.0 -0.954 18.7-177.6-117.1 107.8 -81.2 1.1 -5.3 87 92 A G - 0 0 18 3,-2.2 188,-0.2 -2,-0.5 187,-0.1 -0.320 45.8 -92.5 -93.8 179.3 -83.2 -0.3 -2.4 88 93 A P S S+ 0 0 88 0, 0.0 187,-0.1 0, 0.0 3,-0.1 0.816 121.1 2.9 -63.8 -28.1 -86.8 0.6 -1.4 89 94 A V S S+ 0 0 84 185,-0.4 2,-0.3 1,-0.3 186,-0.1 0.651 129.4 38.9-123.8 -35.2 -85.4 3.2 1.0 90 95 A H - 0 0 42 184,-0.5 -3,-2.2 2,-0.0 2,-0.3 -0.884 58.2-156.9-129.6 156.7 -81.6 3.5 0.7 91 96 A S E -K 86 0B 65 -2,-0.3 200,-0.4 -5,-0.2 -5,-0.2 -0.956 13.6-144.2-135.9 147.9 -79.1 3.3 -2.1 92 97 A A E -K 85 0B 1 -7,-2.0 -7,-2.1 -2,-0.3 202,-0.1 -0.951 28.0-148.5-109.5 109.0 -75.4 2.6 -2.4 93 98 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -10,-0.1 -0.398 9.0-129.9 -76.1 157.8 -73.9 4.8 -5.0 94 99 A S - 0 0 53 -2,-0.1 201,-0.2 -12,-0.1 -11,-0.0 -0.965 34.6-176.1-103.8 119.5 -70.9 3.8 -7.2 95 100 A T - 0 0 35 199,-2.8 -13,-0.2 -2,-0.5 198,-0.1 -0.806 27.3 -83.9-123.6 159.0 -68.3 6.5 -7.1 96 101 A P + 0 0 86 0, 0.0 2,-0.2 0, 0.0 198,-0.1 -0.161 52.0 141.5 -68.0 152.4 -64.9 7.0 -8.9 97 102 A G + 0 0 10 199,-0.1 -75,-0.2 -77,-0.1 -31,-0.2 -0.533 20.8 174.8 173.5 121.4 -61.6 5.6 -7.9 98 103 A D S S+ 0 0 23 -77,-3.2 -35,-2.8 1,-0.3 2,-0.4 0.716 79.4 34.5 -97.1 -31.1 -58.7 4.2 -9.9 99 104 A L E -AC 21 62A 0 -78,-2.3 -78,-2.5 -37,-0.2 2,-0.4 -0.989 59.9-167.5-132.4 135.9 -56.4 3.7 -6.9 100 105 A L E -AC 20 61A 0 -39,-2.2 -39,-2.9 -2,-0.4 2,-0.5 -0.981 0.6-170.8-117.6 130.5 -56.9 2.7 -3.2 101 106 A F E -AC 19 60A 0 -82,-2.5 -82,-2.6 -2,-0.4 2,-0.7 -0.991 3.9-171.6-115.9 117.2 -54.2 3.1 -0.6 102 107 A H E -AC 18 59A 2 -43,-2.6 -43,-2.6 -2,-0.5 2,-0.4 -0.950 14.6-177.4-107.3 104.7 -55.3 1.4 2.7 103 108 A I E +AC 17 58A 0 -86,-3.1 -86,-3.0 -2,-0.7 2,-0.4 -0.897 6.5 179.5-116.0 135.0 -52.6 2.4 5.2 104 109 A K E +AC 16 57A 8 -47,-2.0 -47,-2.8 -2,-0.4 2,-0.3 -0.993 9.5 148.8-137.1 140.7 -52.4 1.2 8.8 105 110 A A E -A 15 0A 0 -90,-1.8 -90,-1.9 -2,-0.4 -91,-0.2 -0.969 55.1-107.0-157.6 172.3 -50.1 1.8 11.7 106 111 A A S S+ 0 0 51 -2,-0.3 2,-0.3 -92,-0.2 3,-0.1 0.570 105.2 44.2 -73.5 -13.5 -49.7 2.2 15.4 107 112 A R S > S- 0 0 83 1,-0.1 4,-1.1 -92,-0.1 3,-0.2 -0.986 72.8-135.3-140.2 143.2 -49.3 5.9 15.0 108 113 A K H >> S+ 0 0 62 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 0.918 103.4 62.7 -57.6 -47.2 -51.0 8.7 13.0 109 114 A D H 3> S+ 0 0 5 336,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.840 101.5 50.6 -56.2 -35.8 -47.7 10.2 12.0 110 115 A L H 3> S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.882 113.1 45.7 -67.7 -39.1 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103.2 51.9 -51.3 -37.8 -60.4 8.8 20.5 419 115 B L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 111.6 45.2 -66.3 -41.2 -60.2 10.6 23.8 420 116 B C H X S+ 0 0 4 -4,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.937 116.1 47.7 -65.8 -45.0 -59.7 14.0 22.2 421 117 B F H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.932 110.6 50.5 -62.6 -46.7 -62.5 13.2 19.8 422 118 B E H X S+ 0 0 11 -4,-3.1 4,-2.6 -5,-0.3 -1,-0.2 0.893 111.8 46.9 -61.7 -40.8 -64.9 12.0 22.4 423 119 B L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.956 112.3 49.5 -67.8 -47.4 -64.5 15.0 24.6 424 120 B G H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.921 111.1 52.1 -52.8 -44.8 -64.9 17.4 21.6 425 121 B R H X S+ 0 0 51 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.955 111.8 44.5 -58.3 -50.8 -68.0 15.4 20.7 426 122 B Q H X S+ 0 0 54 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 114.8 49.7 -60.8 -43.3 -69.5 15.8 24.2 427 123 B I H X S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.945 113.0 44.3 -60.9 -51.9 -68.6 19.5 24.4 428 124 B V H X S+ 0 0 31 -4,-2.9 4,-1.7 1,-0.2 3,-0.3 0.914 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