==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-11 3SBZ . COMPND 2 MOLECULE: METHYLMALONIC ACIDURIA AND HOMOCYSTINURIA TYPE C . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KOUTMOS,C.GHERASIM,J.L.SMITH,R.BANERJEE . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 62.0 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 . 29 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 0 2 1 0 0 0 1 1 0 0 1 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 0 2 0 0 0 1 1 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 . 1 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 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 2 A E 0 0 145 0, 0.0 167,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.1 -5.6 35.9 -12.0 2 3 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.036 360.0-135.8 -52.4 137.9 -9.0 37.1 -13.4 3 4 A K > - 0 0 39 1,-0.1 4,-2.2 165,-0.0 3,-0.3 -0.681 16.8-121.7 -95.4 150.2 -10.9 39.8 -11.6 4 5 A V H > S+ 0 0 35 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.880 111.7 53.9 -56.1 -41.7 -14.6 39.7 -10.9 5 6 A A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 109.7 47.6 -65.6 -36.7 -15.3 42.9 -12.9 6 7 A E H > S+ 0 0 130 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.874 114.7 45.9 -69.7 -39.8 -13.6 41.5 -15.9 7 8 A L H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.927 111.2 52.5 -67.5 -44.4 -15.4 38.2 -15.7 8 9 A K H X S+ 0 0 61 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.917 109.3 50.5 -58.3 -42.5 -18.7 40.0 -15.1 9 10 A Q H X S+ 0 0 99 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.885 110.2 48.6 -65.0 -39.0 -18.1 42.1 -18.2 10 11 A K H X S+ 0 0 88 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.890 112.9 47.7 -69.9 -35.8 -17.4 39.0 -20.3 11 12 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.922 112.7 48.7 -69.9 -41.5 -20.5 37.3 -19.1 12 13 A E H X S+ 0 0 44 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.879 106.6 56.0 -65.1 -37.9 -22.6 40.3 -19.7 13 14 A D H < S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.883 114.8 41.6 -59.5 -37.0 -21.2 40.7 -23.2 14 15 A T H < S+ 0 0 11 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.929 130.4 21.7 -73.9 -45.2 -22.4 37.1 -23.8 15 16 A L H ><>S+ 0 0 0 -4,-2.9 3,-1.9 2,-0.1 5,-1.2 0.805 104.0 71.7-101.2 -37.3 -25.8 37.3 -22.1 16 17 A C G ><5S+ 0 0 44 -4,-2.1 3,-1.8 -5,-0.3 -3,-0.1 0.852 92.7 59.2 -58.2 -36.5 -27.1 40.9 -21.8 17 18 A P G 3 5S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.725 105.1 54.3 -63.3 -15.6 -27.8 41.3 -25.6 18 19 A F G < 5S- 0 0 59 -3,-1.9 43,-0.2 2,-0.1 -2,-0.2 0.244 128.6 -93.6-104.2 13.9 -30.2 38.3 -25.1 19 20 A G T < 5S+ 0 0 4 -3,-1.8 35,-2.9 1,-0.3 38,-0.6 0.707 83.0 126.3 90.0 22.9 -32.2 39.9 -22.2 20 21 A F E < -A 53 0A 6 -5,-1.2 2,-0.3 33,-0.2 -1,-0.3 -0.727 42.2-154.3-107.0 160.3 -30.4 38.5 -19.2 21 22 A E E -A 52 0A 40 31,-2.2 31,-2.5 -2,-0.3 2,-0.4 -0.961 10.0-152.8-127.5 151.1 -28.8 40.2 -16.2 22 23 A V E -A 51 0A 3 -2,-0.3 29,-0.2 29,-0.2 -10,-0.1 -0.977 9.3-173.4-132.9 138.9 -26.0 38.9 -14.1 23 24 A Y E -A 50 0A 52 27,-2.0 27,-2.9 -2,-0.4 2,-0.1 -0.983 17.7-137.4-134.7 120.0 -25.1 39.5 -10.4 24 25 A P E +A 49 0A 27 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.418 28.6 163.6 -77.1 155.3 -22.0 38.2 -8.7 25 26 A F E -A 48 0A 0 23,-2.3 23,-2.2 -2,-0.1 2,-0.4 -0.977 38.4-107.5-157.4 161.6 -22.0 36.8 -5.2 26 27 A Q E >> -A 47 0A 16 -2,-0.3 3,-1.4 21,-0.2 4,-1.0 -0.792 27.1-129.5 -88.4 136.0 -19.8 34.7 -2.8 27 28 A V H >> S+ 0 0 0 19,-2.4 4,-2.4 -2,-0.4 3,-0.6 0.850 107.9 64.1 -49.4 -35.0 -21.0 31.2 -2.2 28 29 A A H 3> S+ 0 0 20 16,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.861 93.0 58.5 -60.2 -39.4 -20.6 31.9 1.5 29 30 A W H <4 S+ 0 0 37 -3,-1.4 4,-0.4 15,-0.3 -1,-0.2 0.856 112.7 41.3 -60.7 -34.8 -23.3 34.6 1.4 30 31 A Y H X< S+ 0 0 0 -4,-1.0 3,-1.2 -3,-0.6 4,-0.2 0.949 116.6 44.9 -76.0 -54.0 -25.8 32.0 0.2 31 32 A N H >< S+ 0 0 22 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.891 101.0 68.8 -60.0 -42.6 -24.8 29.0 2.3 32 33 A E T 3< S+ 0 0 148 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.768 101.4 48.3 -44.2 -33.6 -24.6 31.1 5.5 33 34 A L T < S+ 0 0 109 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.455 108.1 60.8 -92.9 -2.1 -28.3 31.5 5.5 34 35 A L S < S- 0 0 31 -3,-2.6 5,-0.0 -4,-0.2 -4,-0.0 -0.838 81.9 -99.5-132.0 157.6 -29.4 27.9 4.9 35 36 A P > - 0 0 74 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.475 49.5-106.0 -66.2 148.4 -29.3 24.3 6.2 36 37 A P G > S+ 0 0 99 0, 0.0 3,-0.8 0, 0.0 -5,-0.0 0.648 111.9 76.1 -56.6 -19.4 -26.6 22.2 4.6 37 38 A A G 3 S+ 0 0 51 1,-0.2 76,-0.5 75,-0.1 -3,-0.0 0.799 104.3 37.0 -60.6 -27.2 -29.1 20.3 2.5 38 39 A F G < S+ 0 0 64 -3,-2.1 77,-0.3 74,-0.1 -1,-0.2 0.380 92.7 122.0-109.0 0.7 -29.5 23.3 0.2 39 40 A H < - 0 0 49 -3,-0.8 74,-0.3 -4,-0.3 -12,-0.0 -0.139 67.9-117.0 -58.8 154.9 -25.8 24.4 0.2 40 41 A L - 0 0 2 -13,-0.2 2,-2.4 2,-0.1 -1,-0.1 -0.882 32.0-124.8 -86.0 128.4 -23.7 24.8 -2.8 41 42 A P S S+ 0 0 91 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.345 74.6 98.6 -76.9 60.4 -20.9 22.2 -2.3 42 43 A L S S- 0 0 38 -2,-2.4 -2,-0.1 4,-0.1 2,-0.1 -0.940 83.2 -79.5-142.2 161.6 -18.0 24.7 -2.7 43 44 A P > - 0 0 64 0, 0.0 3,-2.1 0, 0.0 -16,-0.3 -0.387 47.1-116.9 -59.7 139.5 -15.6 26.8 -0.6 44 45 A G T 3 S+ 0 0 22 1,-0.3 -16,-2.5 -17,-0.2 -15,-0.3 0.838 110.2 55.8 -48.9 -48.7 -17.3 30.0 0.7 45 46 A P T 3 S+ 0 0 38 0, 0.0 125,-3.1 0, 0.0 -1,-0.3 0.587 79.7 127.1 -65.8 -6.5 -15.1 32.5 -1.0 46 47 A T E < - B 0 169A 0 -3,-2.1 -19,-2.4 123,-0.2 2,-0.3 -0.219 63.2-119.2 -58.5 137.9 -15.9 30.9 -4.4 47 48 A L E +AB 26 165A 0 121,-2.6 118,-2.1 118,-0.6 2,-0.3 -0.584 37.4 173.2 -79.7 135.2 -17.3 33.4 -7.0 48 49 A A E -AB 25 164A 0 -23,-2.2 -23,-2.3 -2,-0.3 2,-0.4 -0.943 21.2-145.6-135.9 158.5 -20.8 32.8 -8.5 49 50 A F E -AB 24 163A 0 114,-2.4 114,-2.8 -2,-0.3 2,-0.5 -0.996 8.9-147.1-127.9 127.7 -23.1 34.7 -10.8 50 51 A L E -AB 23 162A 0 -27,-2.9 -27,-2.0 -2,-0.4 2,-0.5 -0.804 18.8-153.1 -88.7 127.0 -26.9 34.7 -10.4 51 52 A V E -AB 22 161A 0 110,-3.2 109,-2.9 -2,-0.5 110,-1.5 -0.912 14.5-178.5-110.8 128.0 -28.5 35.0 -13.8 52 53 A L E -AB 21 159A 0 -31,-2.5 -31,-2.2 -2,-0.5 2,-0.4 -0.890 21.1-134.3-116.1 154.0 -32.0 36.6 -14.4 53 54 A S E -AB 20 158A 2 105,-2.8 105,-1.9 -2,-0.3 -33,-0.2 -0.888 19.4-157.1-104.2 139.6 -34.1 37.1 -17.4 54 55 A T > - 0 0 12 -35,-2.9 3,-2.0 -2,-0.4 4,-0.4 -0.513 42.9 -87.0 -99.7 175.0 -35.8 40.4 -18.0 55 56 A P T > S+ 0 0 5 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.807 126.2 65.2 -53.7 -28.0 -38.9 41.0 -20.1 56 57 A A T 3> S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.685 79.9 80.5 -68.0 -20.0 -36.5 41.4 -23.1 57 58 A M H <>>S+ 0 0 1 -3,-2.0 4,-2.4 -38,-0.6 5,-2.1 0.871 86.6 58.1 -56.7 -36.0 -35.4 37.8 -22.9 58 59 A F H <4>S+ 0 0 4 -3,-0.9 5,-2.6 -4,-0.4 -1,-0.2 0.946 115.3 32.2 -61.6 -50.9 -38.6 36.6 -24.7 59 60 A D H 45S+ 0 0 87 -4,-0.5 -1,-0.2 3,-0.2 -2,-0.2 0.851 127.1 39.9 -75.6 -35.9 -38.0 38.7 -27.9 60 61 A R H <5S+ 0 0 134 -4,-2.5 -3,-0.2 -42,-0.1 -2,-0.2 0.798 133.7 11.2 -88.5 -28.7 -34.2 38.6 -27.9 61 62 A A T X5S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.4 -3,-0.2 0.780 124.5 44.5-115.7 -52.2 -33.5 35.0 -26.9 62 63 A L H >4 S+ 0 0 63 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.933 113.1 51.7 -56.1 -43.6 -35.1 33.5 -32.1 65 66 A F H >< S+ 0 0 11 -4,-2.0 3,-1.6 1,-0.3 6,-0.4 0.878 104.0 56.6 -60.3 -38.7 -34.3 30.2 -30.3 66 67 A L H 3< S+ 0 0 38 -4,-2.6 -1,-0.3 1,-0.3 -3,-0.1 0.724 109.1 46.8 -67.8 -21.6 -37.7 28.8 -31.2 67 68 A Q T << S+ 0 0 172 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.321 100.8 96.9 -97.9 6.1 -37.0 29.4 -34.9 68 69 A S S X S- 0 0 40 -3,-1.6 3,-0.7 -4,-0.2 -3,-0.1 -0.381 84.5-115.8 -97.5 172.1 -33.5 27.8 -34.6 69 70 A C T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.544 106.8 72.4 -79.6 -9.2 -32.1 24.4 -35.4 70 71 A H T 3 S+ 0 0 82 -5,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.660 70.9 106.7 -80.3 -18.2 -31.3 24.0 -31.6 71 72 A L < - 0 0 48 -3,-0.7 2,-0.3 -6,-0.4 -5,-0.0 -0.417 48.1-173.1 -70.2 135.0 -34.9 23.5 -30.5 72 73 A R - 0 0 159 -2,-0.1 3,-0.4 3,-0.1 2,-0.1 -0.883 19.8-121.6-119.6 157.8 -35.9 20.0 -29.5 73 74 A M S S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.442 86.2 44.7 -85.5 166.9 -39.3 18.5 -28.6 74 75 A L S S+ 0 0 171 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.544 99.8 74.6 79.2 9.0 -40.1 16.8 -25.2 75 76 A T S S- 0 0 82 -3,-0.4 -3,-0.1 0, 0.0 -1,-0.1 -0.987 95.1 -85.2-147.7 151.8 -38.5 19.4 -23.0 76 77 A D > - 0 0 61 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.269 32.9-143.6 -57.5 128.1 -39.5 22.9 -21.9 77 78 A P H > S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.846 98.5 54.5 -66.6 -33.4 -38.3 25.4 -24.6 78 79 A V H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 108.6 49.3 -63.7 -42.9 -37.4 28.1 -22.1 79 80 A D H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.8 49.8 -62.5 -37.6 -35.2 25.7 -20.2 80 81 A Q H X S+ 0 0 26 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.930 110.8 48.5 -64.7 -45.4 -33.6 24.8 -23.5 81 82 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.935 112.7 47.7 -62.7 -47.9 -33.0 28.4 -24.5 82 83 A V H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.927 111.1 50.7 -58.1 -46.9 -31.4 29.2 -21.1 83 84 A A H X S+ 0 0 36 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.870 108.3 54.6 -62.0 -35.7 -29.2 26.1 -21.2 84 85 A Y H X S+ 0 0 86 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.951 111.2 42.7 -62.2 -49.6 -28.0 27.2 -24.6 85 86 A H H X S+ 0 0 4 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.880 112.7 51.7 -70.3 -35.4 -27.0 30.7 -23.5 86 87 A L H X S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.867 107.5 55.8 -64.7 -34.1 -25.3 29.4 -20.3 87 88 A G H X S+ 0 0 19 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.900 102.7 54.7 -59.7 -40.9 -23.5 27.0 -22.7 88 89 A R H X S+ 0 0 56 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.841 103.0 56.6 -65.1 -31.4 -22.3 30.1 -24.6 89 90 A V H X S+ 0 0 0 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.926 105.1 51.6 -62.6 -44.9 -20.9 31.5 -21.3 90 91 A R H >< S+ 0 0 73 -4,-1.7 3,-1.1 1,-0.2 6,-0.2 0.922 109.9 49.0 -55.6 -45.7 -18.8 28.3 -20.9 91 92 A E H 3< S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 106.1 56.8 -64.7 -31.5 -17.5 28.7 -24.5 92 93 A S H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.555 110.5 44.4 -81.4 -7.3 -16.5 32.3 -23.9 93 94 A L X< + 0 0 18 -3,-1.1 3,-1.9 -4,-0.6 -1,-0.3 -0.426 68.6 154.9-130.9 57.0 -14.4 31.4 -20.9 94 95 A P T 3 + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.731 69.8 57.6 -60.7 -27.6 -12.5 28.4 -22.3 95 96 A E T 3 S+ 0 0 176 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.505 100.1 74.3 -83.1 -3.8 -9.5 28.8 -20.0 96 97 A L S < S- 0 0 48 -3,-1.9 2,-0.6 -6,-0.2 -3,-0.1 -0.820 81.5-119.4-114.8 150.4 -11.7 28.5 -16.9 97 98 A Q - 0 0 121 -2,-0.3 2,-0.5 69,-0.3 -2,-0.1 -0.768 40.1-176.3 -84.1 119.4 -13.5 25.8 -15.0 98 99 A I - 0 0 13 -2,-0.6 2,-0.3 67,-0.2 67,-0.2 -0.968 13.7-168.8-127.1 122.1 -17.2 26.7 -15.1 99 100 A E E -C 164 0A 75 65,-2.2 65,-3.2 -2,-0.5 2,-0.4 -0.833 12.1-156.0-105.8 151.4 -20.1 24.9 -13.5 100 101 A I E -C 163 0A 10 -2,-0.3 2,-0.4 63,-0.2 63,-0.2 -0.964 11.8-121.8-130.2 141.0 -23.7 25.7 -14.2 101 102 A I E S+C 162 0A 15 61,-2.5 61,-2.6 -2,-0.4 2,-0.1 -0.999 103.4 33.2-120.8 125.1 -26.9 25.3 -12.4 102 103 A A S S- 0 0 28 -2,-0.4 2,-0.8 59,-0.2 -1,-0.3 0.485 84.7-168.9 -85.3 144.5 -29.0 23.8 -13.8 103 104 A D > - 0 0 41 1,-0.1 3,-1.6 -3,-0.1 -2,-0.1 -0.840 7.4-169.0 -99.3 107.6 -26.5 21.4 -15.4 104 105 A Y T 3 S+ 0 0 118 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.0 0.313 83.6 70.0 -84.1 9.5 -28.3 19.4 -18.1 105 106 A E T 3 S+ 0 0 159 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.313 97.2 63.5 -98.7 0.5 -25.4 17.0 -18.5 106 107 A V < + 0 0 56 -3,-1.6 -4,-0.1 1,-0.1 5,-0.1 -0.976 64.3 173.6-116.7 142.2 -26.3 15.9 -15.1 107 108 A H + 0 0 166 -2,-0.4 4,-0.1 2,-0.1 -1,-0.1 0.792 51.5 47.5-116.4 -50.1 -29.8 14.3 -14.7 108 109 A P S S- 0 0 72 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.030 91.9 -46.7 -82.7-169.3 -30.5 12.8 -11.3 109 110 A N S S+ 0 0 143 1,-0.3 -2,-0.1 4,-0.0 4,-0.0 -0.806 105.5 60.7 -84.7 147.0 -30.1 14.2 -7.8 110 111 A R + 0 0 124 -2,-0.4 -1,-0.3 1,-0.3 3,-0.1 -0.102 56.7 133.1-102.7 98.3 -27.9 15.5 -6.6 111 112 A R S S- 0 0 92 -3,-0.4 -1,-0.3 -4,-0.1 -10,-0.1 -0.685 85.0 -84.3 -63.9 147.0 -27.9 18.3 -9.0 112 113 A P - 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0 0 113 -2,-0.4 -55,-0.2 -55,-0.1 2,-0.1 -0.466 40.6-137.0 -62.6 120.7 -44.3 49.9 -10.6 210 211 A P - 0 0 10 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.472 11.7-140.4 -82.9 156.9 -42.1 48.4 -13.2 211 212 A Q S S+ 0 0 140 -59,-2.6 2,-0.3 1,-0.3 -58,-0.1 0.723 92.8 14.2 -78.0 -24.5 -40.4 50.4 -16.0 212 213 A E - 0 0 97 -60,-0.6 -1,-0.3 -56,-0.0 2,-0.3 -0.992 69.5-164.4-151.2 146.7 -41.2 47.6 -18.4 213 214 A R - 0 0 112 -2,-0.3 3,-0.1 -3,-0.1 -59,-0.1 -0.775 40.8 -77.6-122.3 167.3 -43.5 44.5 -18.4 214 215 A Y - 0 0 12 -2,-0.3 -158,-0.1 1,-0.1 -1,-0.1 -0.414 57.9-110.0 -56.4 141.8 -43.8 41.3 -20.4 215 216 A S > - 0 0 45 -160,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.265 29.0-103.9 -67.1 164.9 -45.5 42.1 -23.7 216 217 A E H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.886 124.7 54.0 -58.6 -36.8 -49.1 40.9 -24.3 217 218 A E H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 109.5 46.0 -64.0 -42.2 -47.6 38.2 -26.5 218 219 A Q H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 111.2 52.2 -67.4 -41.2 -45.2 37.0 -23.8 219 220 A K H X S+ 0 0 36 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.920 110.4 49.8 -58.3 -42.8 -48.0 37.1 -21.2 220 221 A A H >< S+ 0 0 35 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.923 108.2 52.9 -61.8 -46.6 -50.0 34.9 -23.6 221 222 A Y H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.909 111.0 45.3 -55.9 -46.9 -47.2 32.5 -24.0 222 223 A F H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.603 115.6 47.0 -79.7 -10.2 -46.7 31.9 -20.3 223 224 A S T << S+ 0 0 50 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.192 94.0 91.5-113.0 17.4 -50.4 31.5 -19.6 224 225 A T S < S- 0 0 17 -3,-1.0 5,-0.1 -4,-0.2 -4,-0.0 -0.910 87.4-102.4-110.7 136.8 -51.2 29.1 -22.4 225 226 A P >> - 0 0 84 0, 0.0 3,-1.8 0, 0.0 4,-1.3 -0.277 33.3-117.2 -56.4 142.7 -51.0 25.3 -21.9 226 227 A P H 3> S+ 0 0 99 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.784 109.9 64.5 -53.4 -35.6 -47.8 23.9 -23.3 227 228 A A H 34 S+ 0 0 105 1,-0.2 4,-0.2 2,-0.1 3,-0.0 0.813 115.8 30.1 -57.7 -29.9 -49.6 21.7 -25.9 228 229 A Q H <> S+ 0 0 101 -3,-1.8 4,-2.9 2,-0.1 5,-0.3 0.601 92.3 94.8-106.8 -16.5 -50.9 24.8 -27.6 229 230 A R H X S+ 0 0 36 -4,-1.3 4,-1.4 1,-0.2 5,-0.2 0.878 90.3 39.1 -47.5 -56.1 -48.2 27.5 -27.0 230 231 A L H X S+ 0 0 81 -4,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.900 119.0 47.6 -69.5 -38.0 -46.1 27.2 -30.2 231 232 A A H >4 S+ 0 0 84 -4,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.934 112.1 49.1 -63.6 -47.1 -49.1 26.6 -32.4 232 233 A L H 3< S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.745 117.7 37.7 -71.5 -28.1 -51.1 29.5 -31.1 233 234 A L H 3< 0 0 52 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.449 360.0 360.0-104.8 -2.5 -48.5 32.1 -31.2 234 235 A G << 0 0 101 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.612 360.0 360.0 60.8 360.0 -47.0 30.8 -34.5