==== 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 3VED . 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 . 926 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 67.5 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 . 208 22.5 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 . 63 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.8 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 2 4 4 8 0 0 0 5 1 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 . 17 7 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 . 4 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 0 106 0, 0.0 3,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 84.3 -45.5 -9.9 7.5 2 7 A R T 3 - 0 0 43 1,-0.2 53,-0.1 55,-0.0 55,-0.1 -0.455 360.0 -25.5 -79.6 130.4 -43.1 -6.9 8.0 3 8 A L T 3 S+ 0 0 4 51,-0.5 -1,-0.2 53,-0.5 54,-0.1 0.786 91.7 143.9 38.5 44.3 -43.0 -3.8 5.7 4 9 A A X - 0 0 4 -3,-0.6 3,-0.8 40,-0.1 54,-0.4 -0.934 51.0-121.5-109.6 126.3 -44.3 -5.9 2.7 5 10 A P T 3 S+ 0 0 3 0, 0.0 54,-0.2 0, 0.0 297,-0.2 -0.310 93.1 27.7 -60.9 154.5 -46.7 -4.2 0.2 6 11 A Q T 3 S+ 0 0 12 52,-1.8 2,-1.6 1,-0.2 53,-0.2 0.764 70.2 162.8 67.1 28.5 -50.1 -5.9 -0.3 7 12 A A X + 0 0 9 -3,-0.8 3,-0.9 51,-0.4 -1,-0.2 -0.642 6.0 171.4 -76.8 87.5 -50.3 -7.4 3.3 8 13 A V T 3 + 0 0 5 -2,-1.6 -1,-0.2 1,-0.2 251,-0.1 0.807 65.7 60.3 -69.7 -31.0 -54.0 -8.0 3.2 9 14 A L T 3 + 0 0 72 -3,-0.2 -1,-0.2 145,-0.0 146,-0.2 0.168 69.1 139.8 -92.9 21.7 -54.1 -9.9 6.4 10 15 A T < - 0 0 30 -3,-0.9 3,-0.1 1,-0.1 47,-0.0 -0.241 53.4-115.7 -65.2 146.4 -52.8 -7.4 8.9 11 16 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 143,-0.0 -0.260 50.2 -68.7 -70.3 173.5 -54.4 -7.3 12.3 12 17 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 228,-0.0 -0.203 54.0-154.3 -61.6 156.3 -56.3 -4.1 13.4 13 18 A S - 0 0 21 227,-0.1 93,-0.2 -3,-0.1 3,-0.1 -0.812 27.0-120.5-131.0 167.2 -54.4 -0.9 14.1 14 19 A A S S+ 0 0 51 -2,-0.3 122,-2.4 91,-0.3 2,-0.3 0.834 99.2 24.8 -74.8 -32.9 -54.7 2.3 16.2 15 20 A A E +AB 105 135A 11 90,-2.0 90,-1.8 120,-0.2 2,-0.3 -0.933 63.9 172.4-131.8 151.6 -54.5 4.4 13.0 16 21 A S E -AB 104 134A 4 118,-1.8 118,-1.4 -2,-0.3 2,-0.4 -0.985 17.7-147.7-150.2 165.1 -55.2 4.1 9.3 17 22 A L E -AB 103 133A 1 86,-3.0 86,-3.3 -2,-0.3 2,-0.6 -0.997 6.3-163.0-136.1 127.0 -55.4 6.2 6.2 18 23 A F E -AB 102 132A 0 114,-2.5 114,-2.1 -2,-0.4 2,-0.5 -0.949 13.4-178.1-112.3 110.6 -57.7 5.6 3.3 19 24 A L E -AB 101 131A 0 82,-2.6 82,-2.3 -2,-0.6 2,-0.5 -0.951 7.2-171.6-114.2 124.6 -56.6 7.4 0.1 20 25 A V E -AB 100 130A 3 110,-3.1 109,-3.7 -2,-0.5 110,-1.8 -0.966 12.1-176.5-114.5 127.2 -58.7 7.2 -3.1 21 26 A L E -AB 99 128A 3 78,-2.5 77,-2.8 -2,-0.5 78,-2.4 -0.959 22.6-146.9-127.7 143.4 -57.2 8.7 -6.3 22 27 A V E - B 0 127A 43 105,-2.4 105,-2.5 -2,-0.4 2,-0.2 -0.909 27.2-134.0 -99.8 129.3 -58.2 9.2 -9.9 23 28 A A E - B 0 126A 7 -2,-0.5 103,-0.3 103,-0.2 7,-0.1 -0.527 22.6-105.1 -81.5 151.9 -55.4 9.0 -12.4 24 29 A G - 0 0 18 101,-2.5 -1,-0.1 -2,-0.2 6,-0.1 -0.295 21.8-121.1 -68.6 159.1 -54.8 11.5 -15.3 25 30 A D S S+ 0 0 149 4,-0.1 -1,-0.1 5,-0.0 5,-0.1 0.810 79.4 98.8 -68.4 -37.2 -55.7 10.8 -19.0 26 31 A S S > S- 0 0 53 1,-0.1 4,-2.2 3,-0.1 5,-0.1 -0.098 79.5-124.5 -58.6 151.8 -52.2 11.3 -20.4 27 32 A D H > S+ 0 0 111 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.766 115.3 55.6 -65.8 -27.6 -49.9 8.3 -21.2 28 33 A D H > S+ 0 0 123 2,-0.2 4,-3.0 3,-0.1 -1,-0.2 0.898 105.7 50.5 -68.3 -44.2 -47.3 10.0 -19.0 29 34 A D H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.956 109.4 50.9 -54.7 -53.6 -49.8 10.1 -16.1 30 35 A R H X S+ 0 0 67 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.781 114.2 46.1 -51.4 -33.7 -50.5 6.4 -16.7 31 36 A A H X S+ 0 0 52 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.881 109.8 49.9 -81.5 -44.6 -46.8 5.8 -16.5 32 37 A T H X S+ 0 0 54 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.968 112.6 49.1 -58.8 -50.6 -46.0 7.8 -13.4 33 38 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.922 112.3 48.8 -52.9 -48.4 -48.8 6.1 -11.5 34 39 A C H X S+ 0 0 17 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.871 110.7 49.9 -64.3 -36.9 -47.5 2.7 -12.7 35 40 A D H X S+ 0 0 115 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.930 114.8 44.9 -64.2 -43.8 -43.9 3.6 -11.6 36 41 A V H < S+ 0 0 15 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.963 115.9 42.5 -68.1 -55.2 -45.1 4.7 -8.2 37 42 A I H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.829 113.1 54.2 -65.3 -29.2 -47.5 1.9 -7.4 38 43 A S H 3< S+ 0 0 22 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.801 114.1 40.7 -77.1 -27.8 -45.0 -0.8 -8.7 39 44 A G T >< S+ 0 0 33 -4,-1.4 3,-2.4 -3,-0.3 -1,-0.3 -0.029 77.5 130.3-101.5 31.1 -42.2 0.5 -6.5 40 45 A I T <> + 0 0 0 -3,-1.0 4,-1.9 1,-0.3 5,-0.2 0.796 59.5 69.6 -58.8 -28.7 -44.5 1.0 -3.5 41 46 A D H 3> S+ 0 0 38 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.686 88.3 70.7 -63.0 -15.9 -42.2 -0.9 -1.2 42 47 A G H <> S+ 0 0 19 -3,-2.4 4,-2.6 -6,-0.2 3,-0.4 1.000 107.0 29.6 -61.4 -72.2 -39.8 2.0 -1.5 43 48 A P H >>S+ 0 0 31 0, 0.0 4,-2.8 0, 0.0 5,-0.5 0.877 116.2 63.3 -53.9 -38.5 -41.8 4.7 0.5 44 49 A L H X5S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.895 113.6 33.8 -56.9 -42.1 -43.3 1.9 2.6 45 50 A K H X5S+ 0 0 10 -4,-1.8 4,-1.8 -3,-0.4 -1,-0.2 0.809 111.0 64.6 -80.3 -30.5 -39.8 1.0 3.9 46 51 A A H <5S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.1 0.906 122.6 19.1 -62.8 -37.9 -38.6 4.7 3.7 47 52 A V H ><5S+ 0 0 0 -4,-2.8 3,-1.7 -5,-0.1 4,-0.2 0.879 123.7 55.6 -95.2 -40.7 -41.1 5.5 6.4 48 53 A G H >< - 0 0 2 35,-2.8 4,-1.8 -2,-0.4 234,-0.2 -0.274 25.4-109.8 -68.8 162.1 -59.9 0.1 -10.3 64 69 A A H > S+ 0 0 6 232,-0.4 4,-2.3 2,-0.2 5,-0.2 0.896 114.9 49.8 -58.6 -46.9 -61.2 -1.8 -13.3 65 70 A Q H > S+ 0 0 147 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.926 113.9 45.2 -63.5 -43.4 -60.9 1.1 -15.8 66 71 A F H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.803 108.8 55.9 -72.2 -28.8 -57.4 1.8 -14.8 67 72 A W H >X S+ 0 0 2 -4,-1.8 4,-2.9 1,-0.2 3,-2.3 0.966 104.0 53.9 -66.4 -46.6 -56.4 -1.8 -14.9 68 73 A D H 3< S+ 0 0 77 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.719 104.6 58.0 -56.0 -24.5 -57.6 -2.0 -18.5 69 74 A R H 3< S+ 0 0 60 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.632 118.8 27.2 -79.2 -18.2 -55.3 1.0 -19.2 70 75 A V H << S+ 0 0 41 -3,-2.3 -2,-0.2 -4,-0.6 -3,-0.1 0.642 134.1 24.1-119.2 -20.9 -52.2 -0.9 -18.0 71 76 A S < + 0 0 16 -4,-2.9 3,-0.2 -5,-0.1 -2,-0.1 -0.467 56.1 149.6-149.3 66.6 -52.9 -4.6 -18.6 72 77 A A S S+ 0 0 81 -4,-0.3 3,-0.1 1,-0.2 -4,-0.1 0.853 75.0 69.5 -59.0 -35.4 -55.5 -5.1 -21.3 73 78 A S S S+ 0 0 122 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.850 110.5 17.5 -53.3 -49.0 -53.6 -8.3 -22.0 74 79 A S - 0 0 52 -3,-0.2 -1,-0.2 96,-0.0 0, 0.0 -0.985 67.0-172.3-137.5 134.0 -54.6 -10.1 -18.6 75 80 A K - 0 0 82 -2,-0.3 2,-0.1 -3,-0.1 95,-0.1 -0.876 30.5-109.4-119.1 143.1 -57.5 -9.5 -16.1 76 81 A P > - 0 0 2 0, 0.0 3,-1.2 0, 0.0 92,-0.0 -0.464 41.2-111.8 -63.0 145.4 -58.4 -10.9 -12.7 77 82 A A T 3 S+ 0 0 63 1,-0.2 185,-0.1 -2,-0.1 -2,-0.0 0.823 108.4 30.9 -51.7 -39.3 -61.5 -13.0 -13.0 78 83 A H T 3 S+ 0 0 61 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.287 79.5 131.2-113.8 14.0 -63.9 -10.7 -11.1 79 84 A L < + 0 0 7 -3,-1.2 -16,-0.0 -15,-0.1 219,-0.0 -0.552 25.0 129.6 -74.2 121.8 -62.6 -7.2 -11.7 80 85 A H - 0 0 58 -2,-0.4 -16,-0.2 217,-0.0 3,-0.1 -0.945 61.9 -79.1-153.9 165.3 -65.4 -4.7 -12.7 81 86 A P - 0 0 71 0, 0.0 216,-0.1 0, 0.0 214,-0.1 -0.347 64.4 -79.7 -68.2 161.0 -66.4 -1.2 -11.4 82 87 A F - 0 0 11 214,-0.2 12,-0.1 13,-0.2 212,-0.0 -0.360 46.9-125.4 -58.2 136.7 -68.5 -1.0 -8.3 83 88 A V - 0 0 62 -3,-0.1 -1,-0.1 -2,-0.1 9,-0.1 -0.776 20.6-131.4 -95.4 113.0 -72.2 -1.8 -9.0 84 89 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.276 19.3-152.3 -62.0 144.6 -74.6 0.9 -7.8 85 90 A L E -K 92 0B 10 7,-1.7 7,-2.1 185,-0.0 2,-0.4 -0.964 11.4-170.2-122.2 143.7 -77.5 -0.3 -5.8 86 91 A S E +K 91 0B 98 -2,-0.4 5,-0.2 5,-0.2 189,-0.0 -0.917 17.8 178.9-138.1 103.2 -80.8 1.4 -5.6 87 92 A G - 0 0 17 3,-2.3 188,-0.2 -2,-0.4 187,-0.0 -0.329 45.9 -86.3-104.5-179.0 -83.1 0.1 -3.0 88 93 A P S S- 0 0 84 0, 0.0 187,-0.1 0, 0.0 3,-0.1 0.771 121.9 -2.1 -63.7 -28.1 -86.6 0.8 -1.6 89 94 A V S S+ 0 0 87 185,-0.4 2,-0.3 1,-0.3 186,-0.1 0.611 129.9 42.3-125.0 -39.3 -85.3 3.4 0.8 90 95 A H - 0 0 38 184,-0.5 -3,-2.3 2,-0.0 2,-0.3 -0.762 57.4-158.0-121.8 160.6 -81.5 3.6 0.5 91 96 A S E -K 86 0B 63 -2,-0.3 200,-0.4 -5,-0.2 -5,-0.2 -0.974 13.5-144.2-138.9 146.7 -78.9 3.6 -2.2 92 97 A A E -K 85 0B 1 -7,-2.1 -7,-1.7 -2,-0.3 200,-0.1 -0.905 27.3-145.3-111.6 103.1 -75.3 2.8 -2.5 93 98 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 -10,-0.1 -0.318 6.1-134.7 -67.3 152.4 -73.6 5.1 -5.0 94 99 A S - 0 0 53 -12,-0.1 201,-0.2 199,-0.0 -11,-0.0 -0.963 34.2-176.3-101.1 121.5 -70.8 4.0 -7.3 95 100 A T - 0 0 32 199,-3.0 -13,-0.2 -2,-0.5 198,-0.1 -0.816 27.4 -81.7-126.0 158.7 -68.2 6.7 -7.2 96 101 A P + 0 0 84 0, 0.0 2,-0.2 0, 0.0 198,-0.1 -0.215 52.8 142.0 -66.7 145.8 -64.8 7.3 -9.0 97 102 A G + 0 0 13 199,-0.1 -75,-0.2 -77,-0.0 -31,-0.2 -0.621 21.0 173.2-178.6 125.7 -61.5 5.7 -8.0 98 103 A D S S+ 0 0 25 -77,-2.8 -35,-2.8 1,-0.3 2,-0.3 0.706 79.1 31.0-100.7 -29.6 -58.5 4.4 -9.9 99 104 A L E -AC 21 62A 0 -78,-2.4 -78,-2.5 -37,-0.2 2,-0.4 -0.989 59.3-166.0-135.0 140.2 -56.3 3.8 -6.9 100 105 A L E -AC 20 61A 0 -39,-1.9 -39,-2.2 -2,-0.3 2,-0.5 -0.983 1.5-168.4-120.1 133.7 -56.7 2.9 -3.2 101 106 A F E -AC 19 60A 0 -82,-2.3 -82,-2.6 -2,-0.4 2,-0.8 -0.984 4.9-170.8-117.1 113.8 -54.0 3.2 -0.6 102 107 A H E -AC 18 59A 2 -43,-2.7 -43,-2.1 -2,-0.5 2,-0.4 -0.900 14.5-177.5-102.8 100.6 -55.1 1.4 2.5 103 108 A I E +AC 17 58A 0 -86,-3.3 -86,-3.0 -2,-0.8 2,-0.3 -0.858 7.4 178.2-110.8 135.2 -52.5 2.4 5.0 104 109 A K E +AC 16 57A 8 -47,-1.9 -47,-3.3 -2,-0.4 2,-0.3 -0.976 10.5 145.7-135.0 147.1 -52.3 1.1 8.7 105 110 A A E -A 15 0A 0 -90,-1.8 -90,-2.0 -2,-0.3 -91,-0.3 -0.953 56.0-105.3-167.4 168.2 -49.9 1.8 11.5 106 111 A A S S+ 0 0 49 -2,-0.3 2,-0.3 -92,-0.2 3,-0.1 0.500 104.5 46.2 -78.2 -10.5 -49.7 2.2 15.3 107 112 A R S > S- 0 0 84 1,-0.1 4,-1.2 -92,-0.1 3,-0.1 -0.977 73.6-135.2-137.6 146.3 -49.2 5.9 14.9 108 113 A K H > S+ 0 0 59 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 0.934 103.1 63.3 -65.0 -43.4 -50.9 8.6 12.9 109 114 A D H > S+ 0 0 4 336,-0.4 4,-2.9 1,-0.3 -1,-0.2 0.845 101.8 50.0 -54.1 -39.3 -47.6 10.2 11.9 110 115 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.915 112.7 45.9 -65.8 -43.2 -46.5 7.0 10.0 111 116 A C H X S+ 0 0 4 -4,-1.2 4,-2.7 -3,-0.4 -2,-0.2 0.979 115.4 47.2 -61.4 -53.3 -49.7 6.9 8.1 112 117 A F H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.903 112.2 49.4 -56.2 -47.5 -49.6 10.6 7.3 113 118 A E H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.929 110.3 49.8 -61.0 -45.7 -45.9 10.4 6.2 114 119 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.958 113.1 48.3 -58.2 -47.1 -46.5 7.4 3.9 115 120 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.917 110.2 51.5 -55.2 -47.7 -49.5 9.3 2.4 116 121 A R H X S+ 0 0 24 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.954 112.6 45.1 -54.8 -53.4 -47.4 12.5 1.9 117 122 A Q H X S+ 0 0 15 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.852 114.1 49.0 -62.0 -38.5 -44.6 10.6 0.2 118 123 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.926 114.1 44.8 -66.4 -45.3 -47.0 8.7 -2.0 119 124 A V H X S+ 0 0 28 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.867 112.9 51.1 -72.7 -36.3 -48.9 11.8 -3.0 120 125 A S H < S+ 0 0 91 -4,-2.8 3,-0.4 -5,-0.3 -1,-0.2 0.928 109.9 50.5 -62.0 -44.3 -45.8 13.8 -3.6 121 126 A A H < S+ 0 0 53 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.866 109.4 50.2 -68.1 -35.3 -44.4 11.0 -5.8 122 127 A L H >< S+ 0 0 3 -4,-2.0 3,-1.9 1,-0.2 4,-0.3 0.752 84.0 164.5 -71.5 -23.8 -47.6 10.9 -7.9 123 128 A G G >< - 0 0 44 -4,-1.3 3,-1.0 -3,-0.4 -1,-0.2 -0.097 69.7 -13.1 43.9-132.2 -47.5 14.7 -8.4 124 129 A S G 3 S+ 0 0 113 1,-0.2 -1,-0.3 -4,-0.1 -95,-0.1 0.595 120.4 86.2 -73.6 -12.8 -49.8 15.9 -11.3 125 130 A A G < S+ 0 0 2 -3,-1.9 -101,-2.5 -4,-0.1 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43.4 -20.6-129.0 158.0 -58.5 -15.0 11.3 155 160 A D H 3> S+ 0 0 131 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 -0.193 130.8 4.2 55.9-121.3 -55.4 -16.8 10.2 156 161 A D H 3> S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.922 134.7 53.0 -64.0 -45.3 -56.1 -19.6 7.7 157 162 A D H <> S+ 0 0 95 -3,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.836 108.9 51.1 -57.5 -37.0 -59.8 -18.7 7.5 158 163 A A H X S+ 0 0 5 -4,-0.9 4,-2.4 2,-0.2 5,-0.3 0.890 112.1 45.6 -65.4 -44.5 -58.8 -15.1 6.7 159 164 A A H X S+ 0 0 27 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.877 113.0 50.1 -68.6 -40.0 -56.5 -16.2 3.9 160 165 A D H < S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 116.5 43.7 -64.6 -31.2 -59.1 -18.6 2.6 161 166 A S H < S+ 0 0 19 -4,-1.3 100,-2.6 -5,-0.2 101,-0.4 0.868 126.4 25.2 -82.9 -37.1 -61.6 -15.8 2.7 162 167 A A H < S+ 0 0 0 -4,-2.4 2,-0.4 98,-0.3 14,-0.3 0.755 101.4 80.1-103.9 -33.0 -59.6 -12.9 1.3 163 168 A L S < S- 0 0 47 -4,-2.1 2,-0.2 -5,-0.3 12,-0.2 -0.675 75.2-121.0 -94.2 134.9 -56.8 -14.3 -0.9 164 169 A I + 0 0 4 10,-2.6 9,-3.0 -2,-0.4 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-0.479 38.3-132.5 -70.6 148.9 -75.6 -6.9 22.6 205 210 A K T 4 S+ 0 0 47 2,-0.2 -58,-0.5 3,-0.1 3,-0.2 0.993 90.9 27.4 -73.3 -68.5 -74.0 -3.4 22.8 206 211 A L T 4 S+ 0 0 143 1,-0.2 -1,-0.1 -60,-0.1 -2,-0.0 0.950 130.9 37.6 -61.0 -47.8 -71.6 -3.2 25.8 207 212 A E T 4 S- 0 0 154 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.503 93.8-138.6 -91.2 -5.6 -70.7 -6.9 26.0 208 213 A N < + 0 0 30 -4,-0.8 2,-0.5 -3,-0.2 -3,-0.1 0.826 46.3 153.0 57.0 34.7 -70.6 -7.6 22.2 209 214 A V - 0 0 73 -5,-0.1 -5,-3.2 1,-0.0 -1,-0.2 -0.846 49.0-112.6 -98.8 128.2 -72.4 -11.0 22.5 210 215 A E B -N 203 0D 85 -2,-0.5 -7,-0.3 -7,-0.3 2,-0.1 -0.324 32.3-113.8 -57.9 132.8 -74.4 -12.2 19.5 211 216 A L - 0 0 21 -9,-2.3 -1,-0.1 -13,-0.2 5,-0.1 -0.452 38.6-106.6 -63.0 139.5 -78.2 -12.3 20.0 212 217 A D >> - 0 0 110 -2,-0.1 4,-1.4 1,-0.1 3,-1.3 -0.260 38.2 -90.7 -67.9 160.5 -79.5 -15.9 20.0 213 218 A D T 34 S+ 0 0 153 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.779 122.8 44.9 -36.7 -49.8 -81.5 -17.3 17.0 214 219 A D T 34 S+ 0 0 147 1,-0.2 -1,-0.3 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