==== 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 05-SEP-05 2D29 . COMPND 2 MOLECULE: ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR K.SHIMIZU,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS I . 772 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 22 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 0 0 0 2 5 1 0 0 4 0 4 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 2 RESIDUES PER ALPHA HELIX . 4 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 4 2 0 2 0 2 0 2 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 . 2 0 0 0 0 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 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 G 0 0 90 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.0 50.5 95.2 65.1 2 3 A L > - 0 0 34 4,-0.1 3,-1.9 1,-0.1 691,-0.0 -0.316 360.0-110.5 -62.2 145.7 50.5 92.5 62.4 3 4 A W T 3 S+ 0 0 28 1,-0.3 4,-0.1 3,-0.0 -1,-0.1 0.828 113.3 54.0 -45.9 -44.8 48.1 89.6 63.1 4 5 A F T 3 S+ 0 0 10 2,-0.1 -1,-0.3 689,-0.0 2,-0.2 0.574 104.4 61.0 -73.5 -10.2 50.9 87.1 63.8 5 6 A E S < S- 0 0 50 -3,-1.9 2,-0.4 1,-0.0 0, 0.0 -0.659 99.3 -81.1-114.0 171.0 52.7 89.1 66.5 6 7 A E - 0 0 49 -2,-0.2 -4,-0.1 4,-0.1 -2,-0.1 -0.548 47.6-141.4 -71.8 124.0 51.7 90.5 69.9 7 8 A G > - 0 0 11 -2,-0.4 4,-2.6 -6,-0.1 5,-0.2 -0.253 29.0 -96.0 -77.9 173.4 49.8 93.7 69.5 8 9 A A H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.907 125.8 48.3 -56.6 -45.4 50.2 96.7 71.8 9 10 A E H > S+ 0 0 161 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.882 111.5 50.3 -65.1 -37.4 47.2 95.7 73.9 10 11 A E H >> S+ 0 0 25 1,-0.2 4,-3.3 2,-0.2 3,-0.5 0.915 110.6 49.2 -66.5 -42.4 48.5 92.1 74.2 11 12 A R H 3X S+ 0 0 144 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.861 102.3 62.2 -64.6 -36.2 51.9 93.3 75.3 12 13 A Q H 3< S+ 0 0 143 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.841 116.8 31.3 -58.9 -31.3 50.4 95.6 77.9 13 14 A V H S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.865 115.8 57.6 -62.6 -35.3 54.0 92.5 83.1 17 18 A F H X S+ 0 0 18 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.920 103.6 51.6 -61.5 -45.6 52.6 89.0 83.4 18 19 A R H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.872 108.0 52.0 -60.9 -37.9 55.8 87.4 82.2 19 20 A E H X S+ 0 0 107 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.898 108.5 51.2 -66.6 -37.4 57.8 89.4 84.8 20 21 A F H X>S+ 0 0 37 -4,-1.8 4,-3.1 2,-0.2 5,-0.6 0.926 111.0 48.8 -63.1 -43.8 55.5 88.1 87.5 21 22 A L H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-1.6 0.911 110.7 50.0 -62.8 -42.7 56.0 84.5 86.2 22 23 A K H <5S+ 0 0 90 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.899 119.2 37.8 -62.7 -40.8 59.8 85.0 86.2 23 24 A A H <5S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.856 131.9 20.7 -81.6 -36.8 59.8 86.3 89.7 24 25 A E H <5S+ 0 0 86 -4,-3.1 4,-0.2 -5,-0.2 -3,-0.2 0.712 130.0 33.3-107.6 -25.6 57.2 84.2 91.5 25 26 A V T >X4 S+ 0 0 17 -3,-0.7 4,-2.6 -4,-0.2 5,-0.2 0.365 87.4 100.0-103.0 7.2 60.0 77.1 92.6 29 30 A A H S+ 0 0 38 -4,-0.5 4,-1.2 -3,-0.2 -1,-0.2 0.913 112.2 48.6 -64.1 -42.6 62.0 72.6 90.0 31 32 A E H >> S+ 0 0 113 -4,-0.3 4,-2.8 1,-0.2 3,-0.6 0.927 109.4 52.0 -64.3 -43.9 61.0 72.0 93.6 32 33 A R H 3X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.852 105.8 55.8 -61.1 -34.2 57.4 71.5 92.7 33 34 A D H 3< S+ 0 0 19 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.812 113.3 41.8 -67.5 -28.5 58.5 68.9 90.1 34 35 A R H << S+ 0 0 160 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.892 126.9 29.1 -84.0 -42.1 60.3 67.0 92.8 35 36 A T H < S- 0 0 82 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.769 85.6-141.6 -90.9 -30.7 57.6 67.3 95.6 36 37 A G < + 0 0 8 -4,-2.5 2,-0.4 -5,-0.3 -4,-0.1 0.595 38.9 165.1 77.1 10.2 54.4 67.5 93.7 37 38 A A - 0 0 55 -6,-0.2 -1,-0.2 1,-0.1 174,-0.1 -0.460 43.1-117.8 -65.4 118.2 53.1 70.0 96.2 38 39 A F - 0 0 35 -2,-0.4 2,-2.1 1,-0.1 3,-0.2 -0.377 24.7-124.4 -59.0 126.5 50.0 71.8 94.7 39 40 A P > + 0 0 12 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.379 46.4 158.7 -73.9 63.7 50.9 75.5 94.4 40 41 A W H > S+ 0 0 124 -2,-2.1 4,-2.6 1,-0.2 5,-0.2 0.877 73.2 56.6 -55.2 -39.1 48.0 77.0 96.4 41 42 A D H > S+ 0 0 81 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 110.8 42.1 -59.9 -44.7 50.0 80.1 97.0 42 43 A L H > S+ 0 0 7 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.841 111.5 55.1 -72.7 -32.8 50.4 80.7 93.3 43 44 A V H X S+ 0 0 5 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.944 109.4 48.6 -63.4 -45.2 46.8 79.8 92.5 44 45 A R H X S+ 0 0 154 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.936 113.8 45.7 -58.5 -49.5 45.7 82.4 95.0 45 46 A K H < S+ 0 0 59 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.856 116.0 45.1 -64.0 -38.0 48.0 85.1 93.5 46 47 A L H >X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 3,-1.2 0.898 109.7 55.7 -72.2 -40.8 47.0 84.2 89.9 47 48 A A H ><5S+ 0 0 12 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.866 99.8 59.1 -58.8 -38.7 43.3 84.1 90.8 48 49 A E T 3<5S+ 0 0 146 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.770 104.4 53.7 -62.0 -23.0 43.6 87.6 92.2 49 50 A F T <45S- 0 0 116 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.600 119.4-112.2 -85.7 -14.7 44.6 88.5 88.7 50 51 A G T X<5S+ 0 0 19 -3,-1.4 3,-2.2 -4,-0.5 13,-0.4 0.503 76.4 134.4 94.1 5.6 41.6 86.9 87.1 51 52 A V G > > - 0 0 47 0, 0.0 5,-2.0 0, 0.0 3,-2.0 -0.199 23.0-117.4 -56.2 148.1 32.5 87.2 80.8 58 59 A E G > 5S+ 0 0 156 1,-0.3 3,-1.8 3,-0.2 -2,-0.1 0.787 112.4 70.3 -58.5 -26.9 32.9 90.2 83.1 59 60 A A G 3 5S+ 0 0 94 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.767 102.5 43.8 -62.8 -23.8 29.2 90.0 83.8 60 61 A Y G < 5S- 0 0 31 -3,-2.0 -1,-0.3 -7,-0.1 56,-0.2 0.220 132.3 -90.9-105.1 12.1 29.9 86.8 85.8 61 62 A G T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.612 86.5 131.5 89.6 13.9 33.0 88.2 87.5 62 63 A G < - 0 0 13 -5,-2.0 -1,-0.2 -7,-0.1 -8,-0.2 -0.308 69.9-113.8 -93.1 179.0 35.4 87.1 84.8 63 64 A A - 0 0 36 -10,-2.5 -9,-0.2 -13,-0.4 -5,-0.1 0.629 38.3-142.9 -85.3 -16.9 38.2 88.8 82.9 64 65 A G + 0 0 39 -8,-2.3 -9,-0.2 -11,-0.8 2,-0.1 0.868 38.4 164.8 55.9 42.5 36.4 88.5 79.6 65 66 A L - 0 0 52 -11,-3.0 -1,-0.2 -12,-0.2 2,-0.1 -0.438 38.4-103.6 -88.1 163.5 39.5 87.9 77.6 66 67 A S > - 0 0 48 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.408 27.0-115.4 -80.4 161.2 39.7 86.6 74.0 67 68 A T H > S+ 0 0 9 241,-0.3 4,-2.6 1,-0.2 5,-0.2 0.894 116.8 56.0 -62.2 -40.6 40.7 83.0 73.3 68 69 A R H > S+ 0 0 25 240,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.931 109.7 42.6 -58.0 -50.8 43.8 84.4 71.5 69 70 A L H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 114.3 51.0 -66.0 -41.6 45.0 86.3 74.5 70 71 A F H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.898 108.6 52.5 -62.9 -38.3 44.2 83.5 76.9 71 72 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.933 108.9 49.4 -62.4 -44.5 46.1 81.1 74.7 72 73 A R H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.858 109.3 53.6 -62.8 -33.4 49.2 83.4 74.8 73 74 A M H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 107.7 49.7 -67.5 -38.7 48.8 83.5 78.6 74 75 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.895 109.1 52.0 -66.9 -39.3 48.9 79.7 78.8 75 76 A E H X S+ 0 0 22 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.940 109.9 50.6 -60.8 -44.0 52.0 79.6 76.6 76 77 A A H X S+ 0 0 7 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.898 112.1 45.3 -60.3 -44.1 53.6 82.2 79.0 77 78 A I H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-1.3 0.938 110.8 53.7 -65.9 -45.1 52.8 80.1 82.1 78 79 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 96.6 67.2 -59.6 -30.1 54.0 76.9 80.5 79 80 A Y H 3< S+ 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.831 117.4 24.3 -60.0 -32.9 57.3 78.5 79.6 80 81 A Y H << S+ 0 0 42 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.735 138.8 12.2-105.4 -30.6 58.0 78.6 83.4 81 82 A D X - 0 0 6 -4,-2.8 4,-1.9 -5,-0.1 -1,-0.2 -0.796 52.2-170.2-154.4 106.5 55.9 75.9 84.9 82 83 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.883 89.6 54.3 -63.2 -40.5 54.1 73.2 82.9 83 84 A A H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 110.0 46.7 -61.9 -42.4 52.0 71.9 85.8 84 85 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 110.0 54.4 -67.8 -37.2 50.7 75.3 86.6 85 86 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 -8,-0.2 -2,-0.2 0.918 109.3 47.3 -62.7 -42.2 49.9 75.9 82.9 86 87 A L H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.905 110.6 52.7 -65.3 -40.2 47.9 72.7 82.9 87 88 A T H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.946 115.4 40.6 -58.4 -49.8 46.1 73.7 86.1 88 89 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.914 116.7 48.5 -66.4 -45.6 45.1 77.0 84.5 89 90 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.945 114.3 44.2 -63.1 -48.9 44.3 75.7 81.1 90 91 A S H X>S+ 0 0 4 -4,-2.8 4,-2.4 -5,-0.2 5,-0.7 0.923 111.8 52.8 -63.3 -45.8 42.1 72.8 82.3 91 92 A H H <>S+ 0 0 0 -4,-2.0 5,-1.8 -5,-0.3 6,-0.3 0.936 118.8 36.0 -54.7 -49.8 40.2 75.0 84.9 92 93 A N H <>S+ 0 0 2 -4,-2.0 5,-0.7 -5,-0.2 -2,-0.2 0.944 124.5 38.4 -70.5 -51.0 39.3 77.6 82.2 93 94 A S H <5S+ 0 0 13 -4,-3.0 154,-0.2 -5,-0.3 -3,-0.2 0.864 123.8 27.8 -72.3 -39.7 38.8 75.4 79.2 94 95 A L T X5S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.932 127.0 20.5 -92.1 -81.0 37.0 72.3 80.6 95 96 A A H > - 0 0 59 1,-0.1 4,-2.6 127,-0.1 5,-0.2 -0.339 37.7 -98.7 -77.6 169.2 21.4 78.1 81.8 105 106 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.897 127.0 51.2 -57.7 -38.8 21.5 81.7 83.1 106 107 A A H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.930 110.6 46.8 -64.0 -47.1 20.8 80.3 86.6 107 108 A Q H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.899 111.9 50.7 -63.4 -41.4 23.7 77.8 86.4 108 109 A K H X S+ 0 0 41 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.853 110.4 49.0 -66.6 -34.4 26.1 80.4 85.1 109 110 A E H < S+ 0 0 116 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.802 116.2 45.0 -74.0 -27.5 25.3 82.9 87.8 110 111 A A H < S+ 0 0 49 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.889 127.1 22.7 -82.3 -43.0 25.7 80.2 90.4 111 112 A F H X S+ 0 0 15 -4,-2.8 4,-1.8 -5,-0.1 3,-0.5 0.890 111.0 63.1 -93.8 -46.2 28.9 78.6 89.2 112 113 A L H X S+ 0 0 0 -4,-1.0 4,-3.0 -5,-0.4 5,-0.2 0.832 97.8 55.4 -53.2 -42.6 30.9 81.1 87.1 113 114 A P H > S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 6,-0.3 0.913 112.2 43.5 -59.6 -41.5 31.5 83.7 89.8 114 115 A K H 4 S+ 0 0 83 -3,-0.5 6,-2.1 -4,-0.3 4,-0.5 0.827 116.8 46.6 -72.7 -32.6 33.2 81.2 92.1 115 116 A L H >< S+ 0 0 0 -4,-1.8 3,-0.6 4,-0.2 -1,-0.2 0.898 110.5 52.7 -74.9 -40.8 35.2 79.6 89.3 116 117 A A H 3< S+ 0 0 2 -4,-3.0 -64,-0.3 1,-0.2 -2,-0.2 0.741 110.8 46.9 -67.3 -25.5 36.3 82.9 87.9 117 118 A S T 3< S- 0 0 58 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.561 109.2-120.6 -92.9 -10.6 37.6 84.1 91.3 118 119 A G S < S+ 0 0 14 -3,-0.6 -3,-0.1 -4,-0.5 3,-0.1 0.349 81.7 121.8 86.9 -7.8 39.5 80.9 92.0 119 120 A E S S+ 0 0 142 -5,-0.4 2,-0.4 -6,-0.3 -4,-0.2 0.820 85.1 30.6 -56.0 -28.2 37.4 80.4 95.1 120 121 A A S S- 0 0 7 -6,-2.1 -2,-0.4 -7,-0.1 2,-0.2 -0.979 80.0-151.0-135.4 119.2 36.4 77.2 93.5 121 122 A L - 0 0 3 42,-0.5 44,-2.7 -2,-0.4 45,-1.9 -0.632 24.3-125.1 -84.7 149.2 38.7 75.3 91.1 122 123 A G E -a 166 0A 1 -2,-0.2 2,-0.4 42,-0.2 -27,-0.2 -0.817 20.0-167.4-105.9 138.9 37.0 73.2 88.5 123 124 A A E -a 167 0A 0 43,-2.2 45,-2.0 -2,-0.4 2,-0.5 -0.949 7.2-157.2-118.3 139.4 37.4 69.5 87.7 124 125 A W E -a 168 0A 21 35,-0.5 2,-0.9 -2,-0.4 35,-0.3 -0.949 7.4-161.1-121.4 109.6 36.0 68.0 84.5 125 126 A G E +a 169 0A 1 43,-3.4 45,-2.3 -2,-0.5 32,-0.1 -0.751 41.9 120.7-102.3 98.4 35.3 64.3 84.6 126 127 A L + 0 0 8 -2,-0.9 -1,-0.2 30,-0.2 32,-0.1 0.769 53.1 77.3-112.1 -57.9 35.0 62.5 81.3 127 128 A T - 0 0 45 29,-0.2 29,-2.2 30,-0.1 5,-0.2 -0.187 56.8-173.3 -60.4 145.7 37.6 59.8 81.1 128 129 A E B > -I 131 0B 12 3,-2.9 3,-0.9 27,-0.3 27,-0.2 -0.847 41.7 -94.8-133.7 169.2 37.2 56.5 83.0 129 130 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 26,-0.1 0.866 126.1 36.7 -54.9 -37.0 39.4 53.4 83.6 130 131 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 7,-0.1 4,-0.1 0.497 120.4 45.3 -96.3 -2.6 37.9 51.6 80.7 131 132 A S B < +I 128 0B 8 -3,-0.9 -3,-2.9 1,-0.1 25,-0.2 -0.971 47.5 127.7-148.5 131.0 37.5 54.5 78.3 132 133 A G S S+ 0 0 36 -2,-0.3 3,-0.5 -5,-0.2 6,-0.1 0.371 87.6 27.1-136.5 -79.0 39.6 57.5 77.2 133 134 A S S S+ 0 0 80 1,-0.3 2,-1.5 2,-0.1 3,-0.2 0.915 125.7 52.4 -57.7 -42.8 40.0 57.9 73.4 134 135 A D 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0 34 -117,-0.0 -1,-0.2 -3,-0.0 -117,-0.1 0.813 144.3 -12.5 52.3 38.4 42.6 66.0 75.3 369 370 A G S < S- 0 0 18 -3,-0.8 -2,-0.1 -44,-0.0 5,-0.1 0.530 83.0-111.9 107.4 106.6 42.9 63.6 72.4 370 371 A T > - 0 0 28 1,-0.1 4,-2.6 3,-0.1 -4,-0.2 -0.190 34.9-105.4 -60.4 158.9 46.0 61.6 71.6 371 372 A S H > S+ 0 0 1 -6,-1.9 4,-1.9 1,-0.2 5,-0.1 0.855 123.5 55.3 -54.4 -35.0 47.9 62.5 68.4 372 373 A E H > S+ 0 0 87 -7,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 107.9 46.7 -64.4 -46.2 46.4 59.4 66.8 373 374 A I H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.909 111.0 53.0 -62.2 -42.1 42.8 60.5 67.6 374 375 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.874 104.5 54.7 -63.5 -36.9 43.5 64.0 66.3 375 376 A K H X S+ 0 0 28 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.890 108.9 49.4 -64.3 -34.6 44.8 62.6 63.0 376 377 A L H X S+ 0 0 38 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.937 111.1 49.1 -67.1 -45.3 41.5 60.8 62.7 377 378 A V H X S+ 0 0 41 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.921 115.2 44.4 -58.1 -46.6 39.6 63.9 63.5 378 379 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.949 113.7 48.5 -65.1 -50.6 41.6 65.9 60.9 379 380 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.894 108.9 54.3 -59.0 -42.0 41.4 63.2 58.2 380 381 A R H X S+ 0 0 90 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.933 110.8 45.3 -58.8 -45.8 37.7 62.8 58.6 381 382 A R H X S+ 0 0 87 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.886 112.4 51.5 -65.8 -39.2 37.1 66.6 58.1 382 383 A L H < S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 111.4 47.2 -63.6 -42.3 39.5 66.7 55.1 383 384 A L H >< S+ 0 0 12 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.833 107.8 55.8 -69.6 -33.2 37.7 63.8 53.4 384 385 A E H 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 103.3 54.3 -65.9 -37.8 34.3 65.3 54.0 385 386 A A T 3< 0 0 76 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.351 360.0 360.0 -77.9 8.5 35.3 68.5 52.2 386 387 A V < 0 0 112 -3,-1.3 -1,-0.2 -5,-0.1 272,-0.1 -0.435 360.0 360.0 74.5 360.0 36.2 66.1 49.4 387 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 388 2 B G 0 0 89 0, 0.0 2,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -86.7 37.7 87.8 56.4 389 3 B L > - 0 0 30 4,-0.1 3,-2.0 1,-0.1 -83,-0.0 -0.420 360.0-100.9 -80.8 157.7 40.4 86.9 58.9 390 4 B W T 3 S+ 0 0 38 1,-0.3 4,-0.1 -2,-0.1 -1,-0.1 0.850 121.0 48.6 -43.4 -49.7 44.1 87.6 58.3 391 5 B F T 3 S+ 0 0 13 2,-0.1 -1,-0.3 -85,-0.0 2,-0.2 0.608 102.7 76.7 -72.2 -12.2 45.0 84.1 57.2 392 6 B E S < S- 0 0 53 -3,-2.0 2,-0.4 1,-0.1 0, 0.0 -0.521 97.6 -88.6 -95.1 165.9 42.0 83.8 54.8 393 7 B E - 0 0 41 -2,-0.2 -4,-0.1 1,-0.1 -1,-0.1 -0.596 47.5-134.6 -74.7 127.9 41.7 85.4 51.4 394 8 B G > - 0 0 21 -2,-0.4 4,-2.8 -4,-0.1 5,-0.2 -0.176 27.8 -94.5 -75.8 174.3 40.3 88.9 51.7 395 9 B A H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.921 127.9 46.0 -54.5 -47.5 37.5 90.4 49.5 396 10 B E H > S+ 0 0 147 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.914 112.1 50.6 -63.2 -44.7 40.1 92.0 47.2 397 11 B E H > S+ 0 0 20 1,-0.2 4,-3.5 2,-0.2 3,-0.5 0.906 110.0 50.0 -61.1 -43.3 42.2 88.8 47.0 398 12 B R H X S+ 0 0 154 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.868 105.5 56.3 -64.1 -37.9 39.2 86.6 46.1 399 13 B Q H < S+ 0 0 151 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.776 118.3 34.7 -65.6 -25.7 38.1 89.0 43.4 400 14 B V H X S+ 0 0 50 -4,-1.1 4,-1.4 -3,-0.5 -2,-0.2 0.868 122.0 43.4 -92.9 -47.6 41.5 88.6 41.8 401 15 B L H X S+ 0 0 0 -4,-3.5 4,-2.7 -5,-0.2 5,-0.2 0.766 104.1 66.2 -71.8 -27.9 42.3 85.0 42.6 402 16 B G H X S+ 0 0 26 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.982 110.9 32.1 -59.4 -59.7 38.8 83.7 41.7 403 17 B P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.817 116.4 60.0 -68.6 -28.5 39.0 84.5 38.0 404 18 B F H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.950 105.5 47.4 -62.7 -48.1 42.7 83.8 38.0 405 19 B R H X S+ 0 0 69 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.856 109.3 54.3 -61.3 -36.2 42.1 80.2 39.2 406 20 B E H X S+ 0 0 108 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.926 109.4 47.9 -63.8 -43.2 39.4 79.8 36.5 407 21 B F H X>S+ 0 0 27 -4,-2.2 4,-3.4 1,-0.2 5,-0.7 0.937 111.2 50.8 -61.0 -48.2 41.9 80.8 33.9 408 22 B L H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-1.6 0.911 111.0 47.8 -57.1 -45.9 44.5 78.4 35.3 409 23 B K H <5S+ 0 0 91 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.852 120.1 38.6 -64.9 -34.7 42.1 75.5 35.3 410 24 B A H <5S+ 0 0 63 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.854 131.9 20.0 -85.8 -37.1 41.0 76.2 31.7 411 25 B E H <5S+ 0 0 87 -4,-3.4 4,-0.2 -5,-0.2 -3,-0.2 0.721 130.4 33.1-107.3 -27.1 44.2 77.3 30.0 412 26 B V T >X4 S+ 0 0 16 -3,-0.7 4,-2.6 -4,-0.2 5,-0.2 0.346 87.6 99.6-103.8 8.0 48.7 70.9 28.9 416 30 B A H S+ 0 0 37 -4,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.915 113.2 49.2 -63.4 -42.5 51.3 66.8 31.6 418 32 B E H >> S+ 0 0 113 -4,-0.3 4,-2.7 1,-0.2 3,-0.7 0.929 109.0 51.8 -64.0 -44.5 52.3 67.3 28.0 419 33 B R H 3X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.849 105.1 56.9 -61.4 -33.4 54.7 70.1 28.8 420 34 B D H 3< S+ 0 0 19 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.820 112.8 42.2 -67.0 -28.1 56.3 67.9 31.4 421 35 B R H << S+ 0 0 153 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.888 126.8 28.5 -84.2 -41.4 56.9 65.3 28.7 422 36 B T H < S- 0 0 81 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.738 85.3-141.5 -92.9 -27.8 58.1 67.7 25.9 423 37 B G < + 0 0 12 -4,-2.6 2,-0.4 -5,-0.3 -4,-0.1 0.609 39.7 164.5 74.3 10.6 59.6 70.5 27.8 424 38 B A - 0 0 57 -6,-0.2 -1,-0.2 -5,-0.1 174,-0.1 -0.477 42.3-118.8 -66.3 119.3 58.1 73.0 25.2 425 39 B F - 0 0 32 -2,-0.4 2,-2.1 1,-0.1 3,-0.2 -0.398 21.4-127.7 -62.1 125.7 58.3 76.5 26.6 426 40 B P > + 0 0 15 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.385 43.3 160.2 -75.1 64.0 54.7 77.9 26.9 427 41 B W H > S+ 0 0 139 -2,-2.1 4,-1.9 1,-0.2 5,-0.1 0.873 74.5 53.9 -53.8 -38.6 55.1 81.1 25.0 428 42 B D H > S+ 0 0 79 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 109.2 45.9 -64.9 -41.5 51.3 81.3 24.5 429 43 B L H > S+ 0 0 10 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.821 108.4 58.2 -71.0 -30.0 50.5 81.0 28.2 430 44 B V H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 106.0 49.0 -64.1 -43.6 53.2 83.5 29.0 431 45 B R H X S+ 0 0 138 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.929 114.5 44.2 -61.5 -46.7 51.4 86.1 26.8 432 46 B K H >X S+ 0 0 48 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.880 112.1 52.1 -66.9 -39.9 48.0 85.4 28.4 433 47 B L H ><>S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 5,-1.4 0.878 98.9 65.4 -64.1 -37.0 49.4 85.4 31.9 434 48 B A H ><5S+ 0 0 20 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.810 93.1 62.6 -55.0 -30.4 51.1 88.8 31.3 435 49 B E H <<5S+ 0 0 142 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.811 95.5 58.9 -64.3 -30.7 47.6 90.2 31.0 436 50 B F T <<5S- 0 0 76 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.354 119.9-108.7 -79.0 3.3 46.9 89.2 34.6 437 51 B G T X 5S+ 0 0 17 -3,-1.4 3,-1.6 -4,-0.1 13,-0.3 0.509 81.0 134.6 80.8 3.8 49.8 91.4 35.7 438 52 B V T 3 < + 0 0 0 -5,-1.4 3,-0.3 1,-0.3 -4,-0.2 0.730 64.5 48.8 -68.1 -21.2 51.6 88.2 36.5 439 53 B F T 3 S+ 0 0 0 64,-0.3 66,-0.3 -5,-0.2 -1,-0.3 0.445 124.8 29.7 -98.9 9.6 55.0 89.1 34.9 440 54 B G S X S+ 0 0 1 -3,-1.6 10,-2.3 63,-0.1 3,-0.7 0.008 78.4 139.9-148.4 28.5 55.2 92.5 36.6 441 55 B A T 3 S+ 0 0 0 -3,-0.3 11,-3.2 1,-0.3 -3,-0.1 0.813 79.7 30.0 -45.0 -46.6 53.3 91.7 39.8 442 56 B L T 3 S+ 0 0 41 9,-0.2 -1,-0.3 -4,-0.1 7,-0.1 0.568 94.4 107.2 -95.6 -10.3 55.5 93.7 42.2 443 57 B V S < S- 0 0 1 -3,-0.7 8,-2.5 1,-0.1 9,-0.2 -0.505 80.4-107.8 -70.5 131.1 56.6 96.4 39.7 444 58 B P > > - 0 0 50 0, 0.0 5,-2.1 0, 0.0 3,-1.1 -0.235 22.0-118.4 -58.1 148.8 54.8 99.7 40.5 445 59 B E G > 5S+ 0 0 154 1,-0.3 3,-1.8 3,-0.2 -2,-0.1 0.798 112.2 68.6 -58.6 -28.4 52.1 100.8 38.0 446 60 B A G 3 5S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.879 103.0 42.8 -58.4 -39.8 54.3 103.8 37.3 447 61 B Y G < 5S- 0 0 33 -3,-1.1 -1,-0.3 52,-0.1 56,-0.2 0.225 133.9 -90.0 -91.7 13.2 56.9 101.6 35.6 448 62 B G T < 5S+ 0 0 46 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.736 87.3 127.6 87.1 24.4 54.2 99.6 33.9 449 63 B G S - 0 0 49 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.436 26.1-115.4 -83.3 161.0 51.5 93.2 47.3 454 68 B T H > S+ 0 0 8 241,-0.3 4,-2.7 1,-0.2 5,-0.2 0.888 116.9 56.1 -61.4 -38.6 54.0 90.5 48.1 455 69 B R H > S+ 0 0 21 240,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.930 109.0 43.2 -60.1 -49.9 51.1 88.6 49.8 456 70 B L H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 114.6 50.6 -65.2 -41.1 48.9 88.6 46.7 457 71 B F H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 108.5 52.6 -62.8 -42.3 51.7 87.7 44.4 458 72 B A H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 109.3 49.0 -59.5 -43.5 52.7 84.8 46.7 459 73 B R H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.854 109.5 53.3 -64.4 -33.9 49.1 83.5 46.6 460 74 B M H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 107.7 50.0 -68.5 -37.1 49.2 83.8 42.8 461 75 B V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.905 109.4 51.4 -67.4 -40.6 52.4 81.7 42.6 462 76 B E H X S+ 0 0 25 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.927 110.0 51.0 -60.7 -42.2 50.8 79.1 44.9 463 77 B A H X S+ 0 0 9 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.902 112.1 45.2 -61.6 -44.1 47.8 79.0 42.5 464 78 B I H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-1.7 0.952 110.5 54.0 -64.4 -48.5 50.0 78.6 39.4 465 79 B A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 96.7 67.0 -55.6 -32.3 52.1 75.9 41.1 466 80 B Y H 3< S+ 0 0 56 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.822 117.7 23.5 -59.4 -32.3 49.0 73.9 41.9 467 81 B Y H << S+ 0 0 48 -3,-1.7 2,-0.3 -4,-0.6 -2,-0.2 0.732 138.3 13.8-106.9 -30.5 48.5 73.3 38.2 468 82 B D X - 0 0 6 -4,-2.8 4,-1.9 -5,-0.1 -1,-0.2 -0.790 52.4-170.9-153.3 104.5 51.9 73.7 36.6 469 83 B G H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.866 89.5 54.2 -62.3 -38.8 55.1 73.8 38.6 470 84 B A H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 109.6 47.2 -63.9 -41.7 57.3 74.8 35.7 471 85 B L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 109.2 55.2 -67.3 -36.8 55.2 77.8 34.9 472 86 B A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.903 109.0 46.8 -63.1 -40.5 55.2 78.7 38.6 473 87 B L H X S+ 0 0 13 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.894 110.0 54.2 -68.0 -39.2 59.0 78.8 38.6 474 88 B T H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.940 114.8 40.0 -58.2 -49.2 59.1 80.8 35.4 475 89 B V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.942 116.7 48.9 -66.6 -49.4 56.8 83.4 37.0 476 90 B A H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 5,-0.3 0.929 115.5 42.3 -58.8 -48.8 58.4 83.4 40.4 477 91 B S H X>S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 5,-0.6 0.937 112.8 52.2 -65.6 -47.8 62.0 83.7 39.1 478 92 B H H <>S+ 0 0 0 -4,-2.0 5,-1.9 -5,-0.4 6,-0.3 0.938 119.5 36.6 -52.4 -50.5 61.2 86.3 36.5 479 93 B N H <>S+ 0 0 5 -4,-2.3 5,-0.9 -5,-0.2 -2,-0.2 0.938 123.7 38.8 -69.2 -51.2 59.5 88.5 39.1 480 94 B S H <5S+ 0 0 13 -4,-3.0 154,-0.2 -5,-0.3 -3,-0.2 0.846 124.3 26.9 -72.7 -38.0 61.7 87.9 42.1 481 95 B L T X5S+ 0 0 17 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.906 127.2 20.9 -93.8 -83.5 65.2 87.7 40.7 482 96 B A H > - 0 0 57 1,-0.1 4,-2.8 127,-0.1 5,-0.2 -0.336 36.4 -98.2 -78.5 169.9 68.4 104.0 39.0 492 106 B E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 127.4 50.4 -56.5 -41.5 65.4 105.9 37.7 493 107 B A H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 111.8 46.0 -63.6 -43.2 66.8 105.6 34.2 494 108 B Q H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.890 112.5 50.6 -68.5 -39.2 67.5 101.9 34.5 495 109 B K H X S+ 0 0 40 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.881 110.3 48.9 -66.8 -38.1 64.0 101.2 35.9 496 110 B E H < S+ 0 0 117 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 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