==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-AUG-01 1GJV . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.MACHIUS,J.L.CHUANG,M.R.WYNN,D.R.TOMCHICK,D.T.CHUANG . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 45.4 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 0 0 0 0 0 0 1 2 0 1 0 0 1 1 0 1 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 0 1 2 0 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 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 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 38 A V 0 0 60 0, 0.0 9,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 86.0 103.5 121.7 67.4 2 39 A R - 0 0 48 7,-0.5 7,-3.4 6,-0.1 2,-0.2 -0.521 360.0-169.6 -82.3 146.2 104.4 120.9 63.8 3 40 A L B -A 8 0A 80 5,-0.3 5,-0.2 306,-0.2 3,-0.1 -0.544 14.7-162.6-122.6-173.6 106.1 123.3 61.4 4 41 A T S S- 0 0 32 3,-1.8 2,-0.2 1,-0.4 4,-0.1 0.183 70.9 -29.2 144.6 96.5 107.0 123.8 57.7 5 42 A P S S- 0 0 68 0, 0.0 -1,-0.4 0, 0.0 281,-0.0 -0.527 122.1 -27.2 -95.6 -74.2 109.1 125.8 56.9 6 43 A T S S+ 0 0 122 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.176 119.9 88.3 -87.4 17.3 109.6 129.0 59.0 7 44 A M - 0 0 0 2,-0.0 -3,-1.8 23,-0.0 2,-0.4 -0.832 62.2-156.4-115.1 154.9 106.0 128.6 60.0 8 45 A M B -A 3 0A 51 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.3 -0.992 12.4-152.0-139.7 138.5 104.4 126.7 62.9 9 46 A L - 0 0 2 -7,-3.4 -7,-0.5 -2,-0.4 2,-0.3 -0.925 29.3-133.8-106.2 118.9 101.1 125.1 63.8 10 47 A Y - 0 0 44 -2,-0.6 2,-1.0 -9,-0.2 13,-0.0 -0.529 3.1-135.3 -81.6 135.0 100.5 125.0 67.5 11 48 A S - 0 0 48 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.766 38.3-122.4 -86.1 102.7 99.2 121.9 69.4 12 49 A G - 0 0 32 -2,-1.0 2,-1.4 1,-0.1 -1,-0.1 -0.314 22.1-164.4 -60.2 111.8 96.6 123.5 71.7 13 50 A R - 0 0 175 -2,-0.4 5,-0.2 1,-0.2 4,-0.2 -0.414 29.0-169.6 -88.4 57.3 97.0 123.0 75.4 14 51 A S >> + 0 0 74 -2,-1.4 3,-1.3 1,-0.1 4,-0.7 0.696 41.9 101.1 -14.3-121.6 93.4 124.2 76.0 15 52 A Q T 34 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 -0.437 97.8 17.8 65.9-118.4 92.2 124.9 79.6 16 53 A D T 34 S- 0 0 115 -2,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.633 109.6-107.7 -59.0 -15.2 92.2 128.7 80.3 17 54 A G T <> S+ 0 0 10 -3,-1.3 4,-0.9 -4,-0.2 3,-0.2 0.617 77.4 141.7 91.4 15.4 92.2 129.3 76.5 18 55 A S H >X + 0 0 58 -4,-0.7 4,-2.2 -5,-0.2 3,-0.9 0.876 63.6 57.3 -55.9 -44.6 95.8 130.4 77.0 19 56 A H H 3> S+ 0 0 19 -5,-0.5 4,-3.7 1,-0.3 5,-0.4 0.895 96.0 65.4 -56.5 -42.9 97.0 128.7 73.7 20 57 A L H 3> S+ 0 0 22 1,-0.2 4,-2.3 -3,-0.2 -1,-0.3 0.866 108.7 39.1 -46.8 -42.4 94.4 130.8 71.9 21 58 A L H < S+ 0 0 47 -4,-2.3 3,-0.8 -5,-0.3 -2,-0.2 0.957 115.3 42.8 -50.3 -61.0 102.1 134.5 66.9 27 64 A L H >X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.3 3,-1.5 0.922 112.9 53.2 -50.5 -52.8 99.7 134.8 64.0 28 65 A Q H 3< S+ 0 0 16 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.770 112.0 45.6 -57.1 -29.0 99.3 138.6 64.6 29 66 A Q T << S+ 0 0 121 -4,-1.9 -1,-0.3 -3,-0.8 -2,-0.2 -0.232 117.4 43.1-113.1 44.1 103.0 139.1 64.6 30 67 A E T X> S+ 0 0 35 -3,-1.5 4,-2.2 3,-0.0 3,-0.5 0.318 97.6 64.2-144.4 -64.0 103.7 137.0 61.5 31 68 A L H 3X S+ 0 0 6 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.867 103.2 50.8 -35.9 -60.5 101.0 137.8 58.9 32 69 A P H 3> S+ 0 0 20 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.905 109.4 49.7 -48.3 -50.9 102.1 141.4 58.4 33 70 A V H <> S+ 0 0 76 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.940 115.8 43.4 -53.7 -51.2 105.8 140.6 57.9 34 71 A R H X S+ 0 0 33 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.934 111.9 52.1 -63.2 -46.4 104.9 138.0 55.4 35 72 A I H X S+ 0 0 15 -4,-3.7 4,-2.4 -5,-0.3 -2,-0.2 0.939 106.5 56.3 -55.1 -44.9 102.3 140.3 53.7 36 73 A A H X S+ 0 0 34 -4,-3.4 4,-2.2 -5,-0.3 -1,-0.2 0.918 102.3 55.3 -53.0 -44.0 105.1 142.9 53.5 37 74 A H H X S+ 0 0 108 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.920 107.3 50.0 -56.2 -42.9 107.2 140.4 51.6 38 75 A R H X S+ 0 0 22 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.888 105.4 56.1 -64.6 -36.9 104.4 140.1 49.1 39 76 A I H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.931 105.6 51.5 -61.4 -41.4 104.3 143.9 48.8 40 77 A K H X S+ 0 0 133 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.892 106.1 56.6 -59.8 -37.3 108.0 143.9 47.8 41 78 A G H X S+ 0 0 19 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.893 108.1 45.5 -61.0 -41.3 107.2 141.3 45.2 42 79 A F H >< S+ 0 0 5 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.894 110.1 56.2 -69.2 -37.6 104.6 143.5 43.6 43 80 A R H 3< S+ 0 0 177 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.769 110.3 43.4 -65.0 -26.8 107.0 146.5 43.8 44 81 A S H 3< S+ 0 0 92 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.544 85.8 115.8 -97.1 -7.2 109.8 144.6 41.9 45 82 A L S << S- 0 0 15 -4,-0.7 5,-0.1 -3,-0.6 -3,-0.0 -0.259 86.4 -79.8 -59.5 146.5 107.5 143.2 39.2 46 83 A P > - 0 0 29 0, 0.0 4,-3.1 0, 0.0 5,-0.3 -0.236 40.9-124.3 -51.2 134.9 108.2 144.5 35.7 47 84 A F H > S+ 0 0 173 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.861 109.3 54.2 -48.2 -50.1 106.6 148.0 35.3 48 85 A I H 4 S+ 0 0 84 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.952 116.6 40.0 -51.9 -50.9 104.6 147.0 32.2 49 86 A I H >4 S+ 0 0 1 1,-0.2 3,-2.2 2,-0.2 -2,-0.2 0.951 112.0 53.1 -63.4 -55.7 103.1 144.1 34.2 50 87 A G H 3< S+ 0 0 15 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.699 103.9 62.0 -55.6 -18.6 102.7 145.9 37.5 51 88 A C T 3< S+ 0 0 62 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.697 75.8 109.8 -82.2 -21.6 100.8 148.6 35.6 52 89 A N S <> S- 0 0 38 -3,-2.2 4,-2.1 -4,-0.5 5,-0.1 -0.277 77.3-119.8 -55.9 142.8 98.1 146.2 34.5 53 90 A P H > S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.907 107.0 39.1 -49.7 -61.3 94.7 147.0 36.2 54 91 A T H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.844 112.2 57.5 -70.2 -29.5 93.9 143.8 38.1 55 92 A I H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.947 110.4 46.2 -62.8 -40.9 97.6 143.3 39.0 56 93 A L H X S+ 0 0 71 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.925 108.7 55.5 -62.2 -44.3 97.2 146.8 40.6 57 94 A H H X S+ 0 0 81 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.946 111.3 43.0 -56.0 -47.7 94.0 145.7 42.2 58 95 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.948 111.4 55.0 -63.5 -44.8 95.6 142.8 43.9 59 96 A H H X S+ 0 0 31 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.920 108.9 49.7 -52.6 -44.1 98.6 144.9 44.8 60 97 A E H X S+ 0 0 86 -4,-3.3 4,-3.0 1,-0.2 -1,-0.2 0.911 106.7 53.2 -63.3 -43.5 96.2 147.2 46.5 61 98 A L H X S+ 0 0 22 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.917 108.0 52.4 -58.4 -43.9 94.4 144.5 48.4 62 99 A Y H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.864 109.7 47.2 -60.0 -38.9 97.7 143.4 49.8 63 100 A I H X S+ 0 0 57 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.949 111.7 51.6 -68.6 -45.9 98.6 146.9 51.0 64 101 A R H X S+ 0 0 123 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.917 109.3 50.6 -54.2 -44.6 95.1 147.1 52.5 65 102 A A H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.942 108.7 50.8 -59.0 -48.4 95.7 143.8 54.3 66 103 A F H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.878 114.5 45.9 -58.2 -37.2 99.1 145.0 55.6 67 104 A Q H X S+ 0 0 106 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.985 111.2 47.2 -70.9 -58.5 97.3 148.1 56.9 68 105 A K H < S+ 0 0 83 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.915 118.2 45.9 -49.3 -44.7 94.3 146.5 58.5 69 106 A L H >< S+ 0 0 7 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.941 112.7 47.5 -63.7 -49.4 96.6 144.0 60.1 70 107 A T H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.874 107.6 57.7 -60.2 -38.1 99.2 146.6 61.2 71 108 A D T 3< S+ 0 0 128 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.459 83.2 104.6 -73.6 -0.7 96.4 148.8 62.7 72 109 A F S < S- 0 0 44 -3,-1.6 3,-0.1 -5,-0.2 -3,-0.0 -0.745 76.5-123.4 -87.5 130.8 95.3 146.0 64.9 73 110 A P - 0 0 71 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.200 39.9 -83.5 -63.2 157.3 96.4 146.6 68.5 74 111 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -49,-0.1 -0.386 50.9-105.3 -64.7 142.7 98.5 143.9 70.2 75 112 A I + 0 0 5 1,-0.2 3,-0.1 -3,-0.1 -50,-0.0 -0.582 49.3 160.7 -74.3 123.0 96.4 141.0 71.6 76 113 A K + 0 0 129 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.714 62.2 2.8-110.1 -36.4 96.2 141.3 75.4 77 114 A D S >> S- 0 0 73 1,-0.0 4,-1.9 -56,-0.0 3,-1.0 -0.880 86.0 -80.7-144.9 176.7 93.2 139.2 76.2 78 115 A Q H 3> S+ 0 0 70 -2,-0.3 4,-3.8 1,-0.3 5,-0.2 0.857 121.4 58.1 -48.2 -48.2 90.5 136.9 74.7 79 116 A A H 3> S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.851 109.6 47.2 -55.0 -36.3 88.3 139.8 73.5 80 117 A D H X> S+ 0 0 29 -3,-1.0 4,-2.6 2,-0.2 3,-0.6 0.996 112.7 46.2 -64.8 -65.9 91.2 141.0 71.5 81 118 A E H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.899 111.8 55.5 -42.0 -49.7 92.1 137.6 70.0 82 119 A A H 3X S+ 0 0 42 -4,-3.8 4,-1.1 1,-0.3 -1,-0.3 0.904 109.3 42.8 -55.1 -47.7 88.4 137.2 69.3 83 120 A Q H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-1.2 0.981 98.8 56.2 -60.0 -52.9 91.3 139.5 65.6 85 122 A C H 3X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.3 -1,-0.2 0.854 103.4 55.9 -46.3 -37.8 89.7 136.3 64.3 86 123 A Q H 3X S+ 0 0 107 -4,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.900 109.4 45.1 -62.7 -40.8 87.0 138.5 62.7 87 124 A L H < S+ 0 0 85 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.3 0.904 111.3 54.5 -66.6 -39.4 87.5 136.3 52.2 94 131 A D H 3< S+ 0 0 67 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.830 113.2 44.2 -60.8 -32.6 88.8 139.5 50.7 95 132 A H T >< S+ 0 0 16 -4,-2.5 3,-0.6 -5,-0.2 4,-0.3 0.065 79.2 109.8-100.9 22.4 91.6 137.5 49.1 96 133 A K T < S+ 0 0 118 -3,-1.5 3,-0.2 1,-0.2 4,-0.2 0.814 84.7 38.3 -70.9 -27.5 89.6 134.5 47.9 97 134 A D T 3> S+ 0 0 92 -3,-0.3 4,-2.8 -4,-0.3 3,-0.3 0.405 80.9 111.0-103.2 5.4 89.9 135.3 44.2 98 135 A V H <> S+ 0 0 1 -3,-0.6 4,-3.1 1,-0.2 5,-0.2 0.880 78.0 51.0 -44.0 -51.0 93.5 136.6 44.3 99 136 A V H > S+ 0 0 30 -4,-0.3 4,-2.7 -3,-0.2 -1,-0.2 0.919 112.1 45.5 -58.4 -45.2 94.8 133.5 42.4 100 137 A T H > S+ 0 0 77 -3,-0.3 4,-2.8 -4,-0.2 -1,-0.2 0.976 113.7 50.4 -60.8 -52.0 92.2 134.0 39.6 101 138 A L H X S+ 0 0 42 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.923 111.5 47.2 -49.8 -54.3 92.9 137.7 39.4 102 139 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 5,-0.3 0.954 111.1 52.0 -54.1 -52.3 96.6 137.2 39.2 103 140 A A H X S+ 0 0 4 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.923 115.8 42.1 -49.6 -49.1 96.1 134.5 36.5 104 141 A E H >X S+ 0 0 99 -4,-2.8 4,-0.7 2,-0.2 3,-0.6 0.976 116.2 44.0 -64.1 -60.4 94.0 137.0 34.5 105 142 A G H 3X S+ 0 0 2 -4,-3.2 4,-0.9 1,-0.2 3,-0.3 0.842 118.4 46.8 -55.5 -35.4 96.0 140.2 34.9 106 143 A L H 3X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.719 89.9 82.2 -80.6 -24.2 99.2 138.3 34.2 107 144 A R H << S+ 0 0 96 -4,-1.5 4,-0.2 -3,-0.6 -1,-0.2 0.869 106.9 23.8 -51.7 -44.5 98.1 136.3 31.2 108 145 A E H >< S+ 0 0 88 -4,-0.7 3,-1.9 -3,-0.3 -1,-0.2 0.940 117.6 57.8 -86.2 -54.3 98.7 139.1 28.8 109 146 A S H >X S+ 0 0 10 -4,-0.9 3,-0.6 1,-0.3 4,-0.6 0.619 96.0 65.1 -53.2 -19.9 101.3 141.3 30.5 110 147 A R T 3< S+ 0 0 45 -4,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.750 85.8 70.4 -80.1 -20.5 103.9 138.6 30.8 111 148 A K T <4 S+ 0 0 143 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.010 99.0 55.2 -83.3 32.1 104.3 138.2 27.1 112 149 A H T <4 S+ 0 0 121 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.2 0.608 84.0 87.8-130.3 -39.8 106.0 141.6 27.3 113 150 A I S < S- 0 0 30 -4,-0.6 6,-0.0 -3,-0.3 5,-0.0 -0.224 72.5-124.3 -72.2 160.6 108.9 141.4 29.8 114 151 A E S S+ 0 0 197 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.923 92.6 61.8 -67.5 -52.4 112.5 140.4 29.1 115 152 A D > - 0 0 65 1,-0.2 4,-0.6 2,-0.1 3,-0.4 -0.716 59.6-173.9 -84.5 117.4 113.0 137.6 31.6 116 153 A E H >> S+ 0 0 129 -2,-0.6 4,-0.7 1,-0.2 3,-0.6 0.889 85.5 51.2 -78.9 -40.0 110.5 134.7 30.9 117 154 A K H 3> S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.427 96.6 80.0 -76.3 5.7 111.3 132.5 34.0 118 155 A L H 3> S+ 0 0 50 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.907 86.9 49.6 -78.3 -46.2 110.7 135.8 35.9 119 156 A V H < S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 4,-0.2 0.968 114.6 45.6 -53.8 -58.9 94.5 129.4 64.3 141 178 A L H >X S+ 0 0 15 -4,-2.2 3,-2.0 1,-0.3 4,-0.6 0.904 109.8 57.9 -50.6 -42.7 90.8 130.0 63.6 142 179 A A H >< S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.3 10,-0.3 0.880 89.7 70.4 -58.3 -39.1 90.4 126.2 63.7 143 180 A L T << S+ 0 0 19 -4,-2.2 -1,-0.3 -3,-0.6 -2,-0.2 0.533 93.4 61.4 -57.2 -3.8 91.8 126.0 67.2 144 181 A H T <4 S+ 0 0 78 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.855 99.2 59.3 -89.2 -40.8 88.5 127.6 68.3 145 182 A E S << S- 0 0 96 -3,-1.0 2,-0.2 -4,-0.6 7,-0.2 -0.195 75.5-138.0 -80.0 174.4 86.3 124.8 67.0 146 183 A D + 0 0 160 5,-0.1 5,-0.1 2,-0.0 -3,-0.1 -0.664 30.3 163.3-140.9 83.8 86.4 121.2 68.2 147 184 A K > - 0 0 104 -2,-0.2 3,-0.8 5,-0.2 2,-0.2 -0.586 45.8 -94.5 -93.2 157.6 86.1 118.7 65.4 148 185 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.535 104.3 12.5 -78.4 142.9 87.1 115.0 66.0 149 186 A D T 3 S+ 0 0 71 -2,-0.2 7,-2.4 1,-0.2 8,-0.6 0.829 109.5 108.6 63.4 34.2 90.6 113.8 65.1 150 187 A F E < -B 155 0B 56 -3,-0.8 2,-0.4 5,-0.3 5,-0.2 -0.999 46.7-176.9-146.5 138.5 91.6 117.4 64.6 151 188 A V E > S-B 154 0B 52 3,-2.2 3,-1.6 -2,-0.3 2,-0.5 -0.894 83.9 -46.2-130.1 94.0 93.8 119.9 66.4 152 189 A G T 3 S- 0 0 11 -2,-0.4 -5,-0.2 -10,-0.3 -13,-0.1 -0.665 122.4 -27.4 78.2-127.9 93.3 123.1 64.3 153 190 A I T 3 S+ 0 0 18 -2,-0.5 2,-0.9 -18,-0.1 47,-0.3 0.290 116.4 107.3-100.5 5.9 93.7 122.0 60.7 154 191 A I E < -B 151 0B 6 -3,-1.6 -3,-2.2 44,-0.2 2,-0.3 -0.775 62.6-150.5 -89.0 106.1 95.9 119.1 61.7 155 192 A C E -BC 150 197B 11 42,-1.9 42,-2.4 -2,-0.9 3,-0.4 -0.598 0.6-153.5 -75.0 133.4 94.0 115.9 61.4 156 193 A T E S+ 0 0 64 -7,-2.4 -1,-0.1 -2,-0.3 2,-0.1 0.747 87.7 21.8 -82.1 -22.7 95.3 113.4 63.9 157 194 A R E S+ 0 0 102 -8,-0.6 2,-0.3 40,-0.1 -1,-0.3 -0.595 80.4 179.9-146.0 77.4 94.4 110.3 62.0 158 195 A L E - C 0 195B 11 37,-3.5 37,-1.7 -3,-0.4 3,-0.1 -0.593 19.0-145.5 -82.3 140.1 94.0 111.1 58.3 159 196 A S > - 0 0 10 -2,-0.3 4,-2.5 35,-0.2 5,-0.3 -0.898 3.6-161.4-108.1 107.6 93.1 108.4 55.8 160 197 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.925 94.9 52.6 -50.8 -45.1 94.7 108.9 52.4 161 198 A K H > S+ 0 0 64 32,-0.3 4,-2.6 29,-0.2 5,-0.1 0.933 109.5 48.7 -57.8 -46.9 92.2 106.6 50.9 162 199 A K H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 114.4 42.9 -60.6 -49.9 89.3 108.6 52.3 163 200 A I H X S+ 0 0 10 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.884 112.9 53.7 -66.7 -34.9 90.5 112.0 51.2 164 201 A I H X S+ 0 0 0 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.2 0.931 109.8 49.4 -62.9 -41.2 91.4 110.6 47.8 165 202 A E H X S+ 0 0 65 -4,-2.6 4,-2.0 -5,-0.3 3,-0.4 0.901 103.4 59.7 -65.5 -39.1 87.9 109.3 47.6 166 203 A K H X S+ 0 0 101 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.955 111.7 39.3 -51.2 -55.5 86.4 112.6 48.6 167 204 A W H X S+ 0 0 42 -4,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.643 106.9 65.3 -72.5 -15.9 88.0 114.3 45.6 168 205 A V H X S+ 0 0 13 -4,-1.2 4,-3.7 -3,-0.4 -1,-0.2 0.967 106.4 41.9 -69.4 -49.3 87.3 111.4 43.3 169 206 A D H X S+ 0 0 80 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.942 113.8 54.0 -58.8 -49.1 83.6 111.9 43.5 170 207 A F H X S+ 0 0 76 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.908 116.7 36.5 -49.0 -52.3 84.1 115.6 43.2 171 208 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.883 111.6 59.2 -72.3 -39.7 86.0 115.2 40.1 172 209 A R H X S+ 0 0 47 -4,-3.7 4,-3.4 2,-0.2 5,-0.2 0.926 109.0 46.3 -55.8 -45.7 84.0 112.3 38.7 173 210 A R H X S+ 0 0 141 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.987 110.8 50.4 -58.9 -61.0 80.9 114.6 38.8 174 211 A L H X S+ 0 0 87 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.835 116.6 43.5 -43.7 -39.4 82.7 117.5 37.2 175 212 A C H >X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 3,-0.5 0.925 112.2 50.7 -74.3 -47.6 83.8 115.1 34.5 176 213 A E H 3X S+ 0 0 81 -4,-3.4 4,-1.9 1,-0.3 -2,-0.2 0.833 105.5 58.3 -60.4 -33.3 80.4 113.4 34.1 177 214 A H H 3< S+ 0 0 176 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.878 113.8 38.5 -65.2 -35.7 78.8 116.8 33.8 178 215 A K H << S+ 0 0 137 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.739 131.8 20.4 -89.5 -24.7 81.0 117.5 30.8 179 216 A Y H < S- 0 0 52 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.618 97.4-112.0-121.3 -14.4 81.2 114.2 29.0 180 217 A G S < S+ 0 0 66 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.414 95.9 37.7 96.9 -1.7 78.2 112.2 30.2 181 218 A N - 0 0 33 -6,-0.4 -2,-0.3 -9,-0.1 -1,-0.2 -0.969 63.0-154.9-166.6 172.1 80.6 109.8 31.9 182 219 A A - 0 0 3 -2,-0.3 46,-0.2 -3,-0.1 -10,-0.1 -0.987 34.2 -92.8-155.3 153.5 83.9 109.6 33.9 183 220 A P - 0 0 0 0, 0.0 47,-0.1 0, 0.0 2,-0.1 -0.408 39.8-116.9 -71.4 148.8 86.5 106.9 34.5 184 221 A R - 0 0 175 44,-0.4 47,-2.4 -2,-0.1 2,-0.5 -0.466 29.3-137.4 -74.5 159.7 86.1 104.7 37.5 185 222 A V E -d 231 0C 26 45,-0.2 2,-0.4 -2,-0.1 47,-0.2 -0.975 14.9-164.7-127.6 119.5 89.0 105.2 40.0 186 223 A R E -d 232 0C 131 45,-2.7 47,-3.0 -2,-0.5 2,-0.4 -0.817 6.1-159.2-100.4 141.2 90.7 102.2 41.7 187 224 A I E +d 233 0C 34 -2,-0.4 2,-0.2 45,-0.2 47,-0.2 -0.977 19.0 160.5-123.2 131.5 92.9 102.8 44.7 188 225 A N E +d 234 0C 62 45,-2.8 47,-2.6 -2,-0.4 2,-0.3 -0.772 32.1 55.2-137.9-174.4 95.5 100.3 45.9 189 226 A G E S+d 235 0C 45 -2,-0.2 2,-3.1 45,-0.2 47,-0.2 -0.681 113.3 7.0 88.3-147.2 98.6 100.0 48.1 190 227 A H S > S+ 0 0 93 45,-2.6 3,-1.6 -2,-0.3 -29,-0.2 -0.281 75.8 157.4 -69.7 61.4 98.5 101.1 51.7 191 228 A V T 3 + 0 0 55 -2,-3.1 -1,-0.2 1,-0.3 -29,-0.1 0.442 69.9 49.2 -66.9 -2.0 94.7 101.7 51.5 192 229 A A T 3 S+ 0 0 81 -3,-0.1 -1,-0.3 -31,-0.1 -2,-0.1 0.393 78.9 130.2-117.4 0.6 94.3 101.4 55.3 193 230 A A < - 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