==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUL-99 1C1X . COMPND 2 MOLECULE: L-PHENYLALANINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR J.L.VANHOOKE,J.B.THODEN . 695 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 43 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.5 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 2 2 2 0 1 5 3 1 3 0 0 3 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 10 0 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 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 0 0 0 2 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 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 1 A S > 0 0 84 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 150.6 15.7 32.9 -40.6 2 2 A I H > + 0 0 64 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.891 360.0 62.1 -52.8 -40.3 12.3 32.6 -38.9 3 3 A D H > S+ 0 0 115 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.950 108.2 36.6 -52.5 -58.1 12.8 29.0 -39.6 4 4 A S H >4 S+ 0 0 77 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.855 114.5 55.1 -71.0 -31.0 15.9 28.6 -37.5 5 5 A A H >< S+ 0 0 6 -4,-2.8 3,-0.7 1,-0.2 -1,-0.3 0.795 104.7 57.9 -68.7 -24.2 14.7 30.9 -34.9 6 6 A L H 3< S+ 0 0 95 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.667 84.9 80.0 -80.7 -9.6 11.6 28.6 -34.7 7 7 A N T << + 0 0 145 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.261 67.4 136.0 -82.2 25.0 13.8 25.7 -33.9 8 8 A W < - 0 0 57 -3,-0.7 5,-0.0 1,-0.1 -3,-0.0 -0.334 52.2-144.3 -72.2 146.7 14.0 26.7 -30.3 9 9 A D + 0 0 142 -2,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.369 58.7 115.7 -97.1 7.8 13.6 24.2 -27.6 10 10 A G S S- 0 0 20 1,-0.1 20,-0.2 21,-0.0 21,-0.2 -0.144 77.2-101.2 -71.8 175.2 11.7 26.3 -25.0 11 11 A E S S- 0 0 98 19,-1.0 2,-0.3 18,-1.0 19,-0.2 0.792 89.8 -8.9 -67.1 -36.8 8.2 25.7 -23.8 12 12 A M E -A 29 0A 90 17,-1.6 17,-3.3 2,-0.0 2,-0.4 -0.946 47.6-154.5-166.5 145.7 6.3 28.2 -25.8 13 13 A T E -A 28 0A 46 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.991 13.2-166.3-122.2 130.1 6.6 31.1 -28.1 14 14 A V E +A 27 0A 31 13,-3.5 13,-2.6 -2,-0.4 2,-0.3 -0.964 13.3 175.8-116.1 131.2 3.8 33.7 -28.4 15 15 A T E +A 26 0A 83 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.917 8.3 174.9-130.9 159.5 3.9 36.2 -31.3 16 16 A R E -A 25 0A 81 9,-1.7 9,-3.0 -2,-0.3 2,-0.4 -0.968 16.3-151.8-158.9 148.1 1.6 38.9 -32.6 17 17 A F E -A 24 0A 101 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.995 5.9-160.0-126.1 128.0 1.8 41.5 -35.3 18 18 A D E >> -A 23 0A 13 5,-2.7 4,-2.9 -2,-0.4 5,-0.7 -0.876 2.5-169.5-108.1 101.0 -0.2 44.9 -35.0 19 19 A S T 45S+ 0 0 91 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.928 82.0 60.4 -53.5 -47.1 -0.6 46.4 -38.4 20 20 A M T 45S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.1 74,-0.0 0.855 121.9 21.5 -50.6 -45.9 -1.8 49.7 -37.1 21 21 A T T 45S- 0 0 17 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.645 99.3-131.7 -96.3 -18.4 1.3 50.4 -35.1 22 22 A G T <5 + 0 0 28 -4,-2.9 -3,-0.2 1,-0.3 2,-0.2 0.470 58.4 142.7 76.1 12.2 3.5 48.1 -37.2 23 23 A A E < -A 18 0A 0 -5,-0.7 -5,-2.7 60,-0.1 2,-0.4 -0.552 41.1-148.3 -82.4 148.5 5.0 46.6 -34.0 24 24 A H E -AB 17 82A 60 58,-2.0 58,-2.4 -7,-0.2 2,-0.4 -0.900 11.4-152.6-112.6 146.6 5.8 42.9 -33.6 25 25 A F E -AB 16 81A 2 -9,-3.0 -9,-1.7 -2,-0.4 2,-0.4 -0.977 13.0-179.1-123.6 135.5 5.4 41.2 -30.2 26 26 A V E +AB 15 80A 1 54,-2.2 54,-2.7 -2,-0.4 2,-0.4 -0.999 7.2 178.8-133.9 134.0 7.3 38.1 -28.9 27 27 A I E -AB 14 79A 0 -13,-2.6 -13,-3.5 -2,-0.4 2,-0.5 -0.996 11.8-169.0-128.2 124.4 6.9 36.4 -25.6 28 28 A R E -AB 13 78A 5 50,-2.8 50,-2.0 -2,-0.4 2,-0.8 -0.971 8.2-162.6-118.0 125.5 9.2 33.4 -25.1 29 29 A L E +AB 12 77A 5 -17,-3.3 -17,-1.6 -2,-0.5 -18,-1.0 -0.903 9.0 179.9-106.0 105.2 8.6 31.0 -22.1 30 30 A D E - 0 0 35 46,-2.1 -19,-1.0 -2,-0.8 2,-0.3 0.952 66.6 -9.2 -72.1 -46.8 11.7 29.0 -21.7 31 31 A S E - B 0 76A 13 45,-1.6 45,-1.1 29,-0.2 -1,-0.3 -0.996 37.6-175.3-153.7 146.8 10.5 27.1 -18.8 32 32 A T + 0 0 42 -2,-0.3 3,-0.2 43,-0.2 43,-0.1 0.082 59.3 111.9-121.6 16.6 7.7 26.9 -16.3 33 33 A Q S S+ 0 0 161 1,-0.2 42,-0.1 43,-0.1 -1,-0.1 0.914 84.0 33.1 -58.5 -46.5 9.2 24.1 -14.3 34 34 A L S S- 0 0 58 1,-0.3 -1,-0.2 40,-0.1 41,-0.1 0.588 134.9 -50.0 -86.2 -13.8 10.0 26.1 -11.1 35 35 A G S S- 0 0 19 -3,-0.2 -1,-0.3 39,-0.1 39,-0.2 -0.938 90.3 -29.4 165.0-175.6 7.0 28.4 -11.4 36 36 A P S S- 0 0 46 0, 0.0 39,-2.9 0, 0.0 77,-0.2 -0.290 77.1 -98.0 -59.4 151.5 5.3 30.6 -13.8 37 37 A A E -cd 75 113A 0 75,-2.5 77,-2.2 37,-0.2 2,-0.3 -0.445 47.0-174.8 -72.1 144.8 7.7 32.1 -16.3 38 38 A A E +cd 76 114A 2 37,-1.1 39,-1.9 75,-0.2 2,-0.3 -0.999 17.9 127.2-144.5 144.6 8.9 35.5 -15.6 39 39 A G - 0 0 8 75,-1.6 77,-0.5 -2,-0.3 39,-0.1 -0.887 48.9 -84.7 176.3 156.2 11.1 38.1 -17.3 40 40 A G - 0 0 9 75,-0.3 39,-2.4 -2,-0.3 2,-0.6 -0.053 34.4-112.6 -72.2 175.0 11.1 41.7 -18.5 41 41 A T E -ef 79 117A 0 75,-2.1 77,-0.7 37,-0.2 2,-0.4 -0.936 28.8-165.7-110.2 118.1 9.8 43.4 -21.5 42 42 A R E -e 80 0A 55 37,-2.7 39,-3.1 -2,-0.6 2,-0.5 -0.861 0.6-165.3-103.3 132.5 12.5 44.7 -23.8 43 43 A A E +e 81 0A 0 76,-2.4 2,-0.3 -2,-0.4 39,-0.2 -0.991 30.3 122.3-123.5 126.3 11.5 47.2 -26.6 44 44 A A E -e 82 0A 11 37,-2.1 39,-2.2 -2,-0.5 2,-0.3 -0.968 59.0 -82.7-165.6 173.1 13.8 48.0 -29.4 45 45 A Q - 0 0 103 -2,-0.3 2,-0.3 37,-0.2 3,-0.1 -0.661 39.3-169.2 -91.4 146.3 14.3 47.9 -33.1 46 46 A Y - 0 0 46 37,-0.4 3,-0.1 -2,-0.3 4,-0.0 -0.968 27.8-135.7-132.6 148.5 15.4 44.7 -34.8 47 47 A S S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.915 93.0 9.8 -68.7 -42.9 16.5 44.1 -38.4 48 48 A N S >> S- 0 0 90 1,-0.1 4,-1.2 -3,-0.1 3,-1.1 -0.981 70.7-120.4-138.4 153.7 14.4 41.1 -38.6 49 49 A L H 3> S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.3 3,-0.5 0.869 112.4 65.6 -56.7 -37.2 11.7 39.4 -36.6 50 50 A A H 3> S+ 0 0 6 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.863 99.0 51.8 -55.3 -36.2 14.0 36.4 -36.4 51 51 A D H <> S+ 0 0 64 -3,-1.1 4,-2.7 2,-0.2 -1,-0.3 0.858 107.7 51.4 -69.0 -36.3 16.5 38.4 -34.4 52 52 A A H X S+ 0 0 0 -4,-1.2 4,-2.8 -3,-0.5 -2,-0.2 0.904 112.7 46.2 -65.8 -39.8 13.7 39.4 -32.0 53 53 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.950 113.3 48.9 -66.4 -44.8 12.8 35.8 -31.6 54 54 A T H X S+ 0 0 58 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.945 113.1 47.3 -59.5 -45.4 16.4 34.8 -31.2 55 55 A D H X S+ 0 0 38 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.950 110.7 51.8 -60.9 -48.8 17.0 37.5 -28.6 56 56 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.911 110.1 50.0 -55.8 -41.2 13.8 36.6 -26.7 57 57 A G H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.903 112.7 44.5 -65.4 -42.9 14.8 32.9 -26.6 58 58 A K H X S+ 0 0 116 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.892 116.0 47.4 -71.9 -38.5 18.3 33.6 -25.3 59 59 A L H X S+ 0 0 8 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.893 111.6 50.5 -68.6 -38.4 17.0 36.1 -22.8 60 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.912 110.0 50.3 -63.9 -42.7 14.3 33.7 -21.6 61 61 A G H X S+ 0 0 17 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.899 108.9 52.0 -66.1 -36.5 16.8 30.8 -21.2 62 62 A A H X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.895 106.3 54.0 -65.8 -34.7 19.0 33.1 -19.1 63 63 A M H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.909 103.9 56.9 -65.0 -36.4 15.9 34.0 -16.9 64 64 A T H X S+ 0 0 26 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.943 113.0 38.6 -57.5 -49.6 15.4 30.3 -16.3 65 65 A L H X S+ 0 0 28 -4,-1.7 4,-3.6 2,-0.2 5,-0.3 0.878 112.2 58.8 -68.2 -37.8 18.9 29.9 -14.9 66 66 A K H X S+ 0 0 14 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.929 109.8 42.4 -57.0 -47.2 18.8 33.2 -13.1 67 67 A M H <>S+ 0 0 2 -4,-2.4 5,-3.2 2,-0.2 -1,-0.2 0.955 116.8 48.9 -65.3 -46.8 15.7 32.2 -11.0 68 68 A A H ><5S+ 0 0 9 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.942 114.8 42.6 -57.0 -55.5 17.1 28.8 -10.4 69 69 A V H 3<5S+ 0 0 1 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 116.0 49.7 -67.9 -19.8 20.5 30.0 -9.3 70 70 A S T 3<5S- 0 0 19 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.344 112.3-117.8-100.4 6.9 19.0 32.8 -7.3 71 71 A N T < 5 + 0 0 82 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.835 62.5 146.7 62.8 37.8 16.6 30.5 -5.5 72 72 A L < - 0 0 3 -5,-3.2 2,-2.2 -6,-0.2 -1,-0.2 -0.896 52.3-128.7-106.5 132.1 13.5 32.2 -6.8 73 73 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.336 71.8 99.5 -79.5 60.5 10.5 29.9 -7.5 74 74 A M - 0 0 9 -2,-2.2 -37,-0.2 -39,-0.2 -2,-0.1 -0.964 64.9-125.4-142.5 159.3 9.8 31.0 -11.0 75 75 A G E - c 0 37A 2 -39,-2.9 -37,-1.1 -2,-0.3 2,-0.5 -0.212 37.4 -97.2 -90.4-172.1 10.4 29.9 -14.5 76 76 A G E +Bc 31 38A 0 -45,-1.1 -46,-2.1 -39,-0.3 -45,-1.6 -0.929 48.2 145.5-119.5 132.7 12.0 32.0 -17.1 77 77 A G E -B 29 0A 0 -39,-1.9 2,-0.3 -2,-0.5 -48,-0.2 -0.919 19.2-165.9-149.4 171.6 10.5 34.0 -19.8 78 78 A K E -B 28 0A 5 -50,-2.0 -50,-2.8 -2,-0.3 2,-0.4 -0.967 10.0-144.3-161.4 148.5 11.1 37.2 -21.7 79 79 A S E -Be 27 41A 0 -39,-2.4 -37,-2.7 -2,-0.3 2,-0.4 -0.943 10.0-169.8-118.8 144.4 9.2 39.6 -24.0 80 80 A V E -Be 26 42A 0 -54,-2.7 -54,-2.2 -2,-0.4 2,-0.6 -0.998 6.4-161.4-132.2 123.8 10.6 41.5 -26.9 81 81 A I E -Be 25 43A 1 -39,-3.1 -37,-2.1 -2,-0.4 2,-1.0 -0.949 14.1-147.3-106.0 115.5 8.6 44.2 -28.6 82 82 A A E -Be 24 44A 10 -58,-2.4 -58,-2.0 -2,-0.6 -37,-0.2 -0.791 21.0-141.6 -88.2 106.1 10.1 44.8 -32.0 83 83 A L - 0 0 11 -39,-2.2 -37,-0.4 -2,-1.0 -61,-0.1 -0.280 13.3-140.7 -69.5 143.7 9.6 48.6 -32.6 84 84 A P S S- 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -39,-0.1 0.586 88.9 -1.1 -78.6 -11.9 8.6 50.0 -35.9 85 85 A A S S- 0 0 27 -41,-0.0 5,-0.1 0, 0.0 -2,-0.1 -0.950 105.3 -51.5-162.7 173.6 11.0 52.9 -35.2 86 86 A P >> - 0 0 67 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.308 53.4-114.3 -63.1 141.1 13.2 54.1 -32.5 87 87 A R G >4 S+ 0 0 53 1,-0.3 3,-0.9 2,-0.2 8,-0.1 0.781 113.9 49.6 -42.1 -41.3 11.8 54.3 -29.0 88 88 A H G 34 S+ 0 0 170 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.674 105.0 57.8 -77.6 -17.8 12.0 58.0 -28.8 89 89 A S G <4 S+ 0 0 71 -3,-2.2 2,-0.5 2,-0.1 -1,-0.2 0.484 83.4 103.6 -87.3 -8.2 10.4 58.6 -32.1 90 90 A I S << S- 0 0 16 -3,-0.9 -7,-0.0 -4,-0.6 -3,-0.0 -0.649 72.7-127.3 -83.3 122.3 7.2 56.7 -31.0 91 91 A D > - 0 0 81 -2,-0.5 4,-2.6 1,-0.1 3,-0.3 -0.290 21.2-112.3 -68.2 156.2 4.3 58.9 -30.3 92 92 A P H > S+ 0 0 111 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.792 116.2 52.7 -57.7 -33.4 2.6 58.5 -27.0 93 93 A S H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.895 111.6 47.2 -68.6 -41.7 -0.6 57.2 -28.5 94 94 A T H > S+ 0 0 37 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.902 112.9 48.6 -63.3 -45.6 1.3 54.6 -30.4 95 95 A W H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.918 109.5 53.0 -59.8 -45.8 3.2 53.6 -27.4 96 96 A A H X S+ 0 0 50 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.885 111.3 45.9 -59.1 -40.9 0.0 53.4 -25.4 97 97 A R H X S+ 0 0 64 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.924 109.2 55.4 -70.8 -39.7 -1.5 51.0 -28.0 98 98 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.931 110.5 45.6 -57.8 -44.4 1.6 48.9 -28.1 99 99 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.885 109.9 54.8 -67.8 -36.0 1.5 48.4 -24.4 100 100 A R H X S+ 0 0 91 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.949 111.2 44.0 -62.8 -45.5 -2.2 47.7 -24.5 101 101 A I H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.925 111.5 53.4 -63.9 -44.5 -1.7 44.9 -27.0 102 102 A H H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.941 109.2 50.1 -55.6 -44.9 1.3 43.5 -25.2 103 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.869 106.6 54.0 -61.7 -37.1 -0.9 43.3 -22.0 104 104 A E H X S+ 0 0 49 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.877 109.7 49.5 -64.0 -38.1 -3.7 41.5 -23.9 105 105 A N H X S+ 0 0 12 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.946 112.0 46.6 -66.5 -47.5 -1.0 38.9 -25.0 106 106 A I H ><>S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 5,-0.5 0.914 108.7 57.8 -58.2 -43.4 0.3 38.5 -21.5 107 107 A D H ><5S+ 0 0 68 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.883 98.4 58.0 -57.5 -38.7 -3.3 38.2 -20.3 108 108 A K H 3<5S+ 0 0 154 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 97.6 61.5 -63.0 -27.3 -4.1 35.2 -22.5 109 109 A L T X<5S- 0 0 21 -4,-1.0 3,-2.0 -3,-0.8 -1,-0.3 0.578 97.1-151.8 -75.4 -9.3 -1.2 33.3 -20.8 110 110 A S T < 5 - 0 0 81 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.776 67.0 -32.0 42.5 52.2 -3.3 33.7 -17.6 111 111 A G T 3 - 0 0 45 -77,-0.7 3,-2.2 3,-0.2 -76,-0.2 -0.687 56.0 -5.1-158.9-154.5 13.6 46.0 -19.1 119 119 A V T 3 S- 0 0 58 1,-0.3 -76,-2.4 -2,-0.2 3,-0.1 -0.302 134.2 -3.9 -54.6 125.0 15.2 47.9 -21.9 120 120 A N T 3 S+ 0 0 73 1,-0.2 2,-0.4 -78,-0.2 -1,-0.3 0.643 114.8 97.8 67.2 16.3 13.0 50.9 -22.9 121 121 A T < + 0 0 11 -3,-2.2 2,-0.2 -80,-0.1 -3,-0.2 -0.981 49.0 177.0-132.4 145.6 10.2 50.0 -20.5 122 122 A N > - 0 0 79 -2,-0.4 4,-1.8 -5,-0.1 3,-0.3 -0.756 47.5 -80.2-137.0-175.9 9.7 51.4 -17.1 123 123 A S H > S+ 0 0 25 1,-0.2 4,-2.3 -2,-0.2 17,-0.6 0.815 124.9 56.1 -57.5 -36.8 7.4 51.4 -14.1 124 124 A A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 108.3 48.2 -62.8 -41.2 5.0 53.8 -15.7 125 125 A D H > S+ 0 0 9 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.864 108.3 55.0 -65.3 -34.9 4.7 51.3 -18.6 126 126 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 12,-0.3 -2,-0.2 0.907 107.0 50.7 -63.3 -42.5 4.2 48.6 -16.1 127 127 A D H X S+ 0 0 23 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.921 110.2 49.8 -60.9 -43.6 1.3 50.6 -14.6 128 128 A T H >X S+ 0 0 48 -4,-2.1 3,-1.5 2,-0.2 4,-0.5 0.916 109.5 49.6 -60.3 -46.6 -0.2 50.9 -18.1 129 129 A L H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 3,-2.1 0.926 106.0 59.3 -59.6 -39.8 0.1 47.2 -18.8 130 130 A N H 3< S+ 0 0 28 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.633 87.8 71.7 -65.5 -12.3 -1.6 46.7 -15.4 131 131 A D H << S+ 0 0 110 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.778 115.9 25.7 -71.1 -23.1 -4.6 48.7 -16.6 132 132 A T H << S+ 0 0 59 -3,-2.1 2,-0.4 -4,-0.5 -2,-0.2 0.720 127.4 28.0-108.7 -36.3 -5.2 45.6 -18.8 133 133 A T < - 0 0 3 -4,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.977 54.4-143.3-136.6 151.0 -3.6 42.6 -17.1 134 134 A E S S+ 0 0 118 -2,-0.4 2,-2.2 1,-0.2 -1,-0.1 0.761 78.7 90.1 -77.0 -27.0 -2.7 41.5 -13.7 135 135 A F + 0 0 22 -32,-0.1 -20,-2.1 -6,-0.1 2,-0.4 -0.328 60.3 116.4 -80.8 64.1 0.6 39.7 -14.5 136 136 A V B -g 115 0B 1 -2,-2.2 3,-0.3 -22,-0.2 2,-0.3 -0.992 41.3-167.7-135.7 129.8 3.0 42.5 -14.1 137 137 A F + 0 0 10 -22,-3.0 8,-0.1 -2,-0.4 158,-0.1 -0.714 69.9 46.6-105.9 161.2 5.9 43.2 -11.7 138 138 A G + 0 0 0 -2,-0.3 -12,-0.3 1,-0.2 -11,-0.2 0.724 68.0 158.0 84.5 16.9 7.6 46.5 -11.3 139 139 A R - 0 0 57 -3,-0.3 8,-2.4 -13,-0.2 -1,-0.2 -0.319 54.6 -83.7 -67.5 159.7 4.5 48.7 -11.1 140 140 A S > > - 0 0 15 -17,-0.6 5,-2.7 6,-0.2 3,-0.5 -0.190 41.8-108.3 -58.8 158.2 5.1 52.0 -9.4 141 141 A L G > 5S+ 0 0 121 1,-0.2 3,-1.6 3,-0.2 -1,-0.1 0.915 120.3 55.4 -56.4 -40.2 4.9 52.0 -5.6 142 142 A E G 3 5S+ 0 0 165 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.790 105.5 50.6 -63.0 -32.3 1.6 53.8 -5.8 143 143 A R G < 5S- 0 0 82 -3,-0.5 -1,-0.3 1,-0.0 -2,-0.2 0.364 128.1 -96.3 -86.2 2.1 0.1 51.2 -8.0 144 144 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.516 85.7 120.4 99.4 6.4 1.2 48.4 -5.7 145 145 A G S + 0 0 22 1,-0.1 4,-2.3 2,-0.1 3,-0.2 0.476 59.6 102.0-106.8 3.6 14.9 47.5 -9.4 150 150 A A H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.847 79.9 47.6 -52.4 -48.7 18.0 49.3 -10.8 151 151 A F H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 110.6 51.2 -64.7 -39.6 19.7 50.0 -7.6 152 152 A T H > S+ 0 0 19 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.896 110.0 51.2 -62.2 -40.0 19.3 46.4 -6.3 153 153 A T H X S+ 0 0 13 -4,-2.3 4,-2.8 137,-0.2 137,-0.3 0.940 109.4 51.1 -61.9 -42.5 20.8 45.2 -9.6 154 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 108.4 50.6 -60.4 -44.1 23.7 47.6 -9.1 155 155 A V H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.952 111.7 48.8 -60.3 -46.9 24.3 46.3 -5.6 156 156 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 112.9 46.3 -59.6 -44.9 24.3 42.7 -6.9 157 157 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.922 111.5 52.3 -65.6 -38.8 26.7 43.5 -9.7 158 158 A F H X S+ 0 0 18 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.928 111.6 45.5 -64.1 -43.1 29.0 45.4 -7.4 159 159 A E H X S+ 0 0 38 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.880 112.5 52.0 -67.3 -35.4 29.1 42.5 -5.0 160 160 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 127,-0.3 -2,-0.2 0.952 110.1 49.1 -61.5 -48.6 29.7 40.2 -8.0 161 161 A M H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.4 0.911 111.0 48.9 -57.0 -47.6 32.5 42.4 -9.0 162 162 A K H X S+ 0 0 69 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.939 113.1 47.5 -61.4 -43.8 34.1 42.4 -5.6 163 163 A A H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.896 113.7 48.4 -65.2 -38.5 33.8 38.6 -5.3 164 164 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.915 109.9 48.2 -69.8 -44.8 35.3 38.2 -8.8 165 165 A V H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 6,-0.6 0.893 113.5 51.2 -64.2 -36.4 38.3 40.5 -8.4 166 166 A A H ><5S+ 0 0 56 -4,-1.8 3,-1.6 -5,-0.4 5,-0.3 0.958 110.4 45.4 -64.0 -47.2 39.0 38.8 -5.2 167 167 A H H 3<5S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.5 59.6 -64.4 -28.3 38.9 35.3 -6.6 168 168 A R T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.573 119.1-111.6 -77.9 -9.6 41.0 36.5 -9.4 169 169 A G T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.689 83.9 117.7 88.7 20.9 43.7 37.5 -7.0 170 170 A L < - 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0 0 79 -2,-0.4 4,-2.2 -5,-0.1 5,-0.2 -0.698 46.5 -83.7-135.6-172.9 22.1 43.0 34.2 472 123 B S H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 17,-0.5 0.866 125.8 55.9 -68.2 -30.2 20.1 43.4 31.1 473 124 B A H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 107.4 50.4 -64.4 -39.0 22.5 45.9 29.6 474 125 B D H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.889 108.4 53.0 -64.2 -36.3 25.2 43.2 30.1 475 126 B M H X S+ 0 0 0 -4,-2.2 4,-3.1 12,-0.3 -1,-0.2 0.917 107.4 51.4 -63.2 -40.9 22.9 40.7 28.3 476 127 B D H X S+ 0 0 22 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.939 109.6 49.5 -60.9 -42.1 22.6 43.1 25.4 477 128 B T H >< S+ 0 0 51 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.930 111.3 48.7 -63.0 -44.4 26.4 43.4 25.3 478 129 B L H >X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.3 3,-1.9 0.908 107.4 58.1 -59.3 -40.0 26.7 39.6 25.3 479 130 B N H 3< S+ 0 0 30 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.654 88.5 71.1 -66.9 -13.9 24.1 39.5 22.6 480 131 B D T << S+ 0 0 108 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.750 117.2 23.6 -71.8 -15.7 26.3 41.7 20.4 481 132 B T T <4 S+ 0 0 63 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.2 0.674 127.2 33.8-117.2 -32.1 28.4 38.6 20.1 482 133 B T < - 0 0 4 -4,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.991 54.5-147.6-134.5 146.2 26.2 35.6 20.8 483 134 B E S S+ 0 0 123 -2,-0.4 2,-2.4 1,-0.2 -1,-0.1 0.778 78.6 90.0 -73.4 -27.1 22.6 34.6 20.2 484 135 B F + 0 0 24 -32,-0.1 -20,-2.4 -6,-0.1 2,-0.4 -0.316 61.5 115.7 -81.8 64.9 22.2 32.4 23.3 485 136 B V B -t 464 0F 1 -2,-2.4 3,-0.3 -22,-0.2 2,-0.3 -0.986 41.0-169.2-137.7 127.2 21.0 35.0 25.8 486 137 B F + 0 0 11 -22,-3.2 8,-0.1 -2,-0.4 158,-0.1 -0.692 69.7 46.4-102.7 163.9 17.9 35.6 27.7 487 138 B G + 0 0 0 -2,-0.3 -12,-0.3 1,-0.2 -11,-0.2 0.692 67.3 156.2 82.3 14.3 17.1 38.7 29.6 488 139 B R - 0 0 55 -3,-0.3 8,-2.2 -13,-0.2 -1,-0.2 -0.224 56.5 -82.5 -63.8 162.5 18.1 41.3 27.0 489 140 B S > > - 0 0 14 -17,-0.5 5,-2.4 6,-0.1 3,-0.6 -0.249 38.0-111.2 -65.1 157.8 16.4 44.7 27.4 490 141 B L G > 5S+ 0 0 97 1,-0.2 3,-1.4 3,-0.2 -1,-0.1 0.907 122.2 58.6 -56.1 -36.5 12.9 45.0 26.0 491 142 B E G 3 5S+ 0 0 163 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.806 106.9 46.4 -58.0 -36.6 14.5 47.3 23.5 492 143 B R G < 5S- 0 0 83 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.357 127.8 -92.4 -91.1 2.0 16.9 44.5 22.3 493 144 B G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.499 88.3 109.1 105.0 0.9 14.3 41.9 22.1 494 145 B G S + 0 0 23 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.351 56.7 102.9-112.1 5.3 12.6 39.4 35.8 499 150 B A H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.882 79.8 48.4 -55.3 -48.1 13.0 40.7 39.4 500 151 B F H > S+ 0 0 95 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.953 111.7 49.8 -61.6 -45.6 9.4 41.5 40.0 501 152 B T H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 110.8 50.7 -59.3 -40.1 8.2 38.1 38.7 502 153 B T H X S+ 0 0 16 -4,-2.4 4,-2.5 137,-0.3 137,-0.3 0.950 110.9 48.9 -59.9 -49.3 10.8 36.5 41.0 503 154 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.895 109.7 52.1 -58.2 -42.5 9.5 38.6 44.0 504 155 B V H X S+ 0 0 16 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.942 111.8 46.6 -61.4 -44.1 5.8 37.6 43.1 505 156 B G H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.913 113.2 46.9 -65.2 -41.9 6.8 34.0 43.2 506 157 B V H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.903 112.1 52.0 -65.7 -38.5 8.8 34.2 46.4 507 158 B F H X S+ 0 0 24 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.954 111.6 45.7 -61.0 -48.5 5.9 36.1 47.9 508 159 B E H X S+ 0 0 40 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.894 113.4 51.6 -59.9 -41.8 3.4 33.3 46.8 509 160 B A H X S+ 0 0 0 -4,-2.8 4,-2.5 127,-0.3 -2,-0.2 0.939 109.5 49.0 -59.3 -46.9 5.9 30.8 48.1 510 161 B M H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.930 111.1 49.9 -60.4 -45.1 6.0 32.6 51.4 511 162 B K H X S+ 0 0 75 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.932 112.6 46.5 -60.3 -44.3 2.2 32.7 51.7 512 163 B A H X S+ 0 0 11 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.892 114.3 48.0 -65.4 -39.0 1.9 29.0 51.0 513 164 B T H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.931 110.5 50.2 -67.1 -45.0 4.6 28.2 53.4 514 165 B V H <>S+ 0 0 0 -4,-3.1 5,-2.4 1,-0.2 6,-0.4 0.915 113.2 47.4 -58.9 -44.0 3.1 30.3 56.2 515 166 B A H ><5S+ 0 0 57 -4,-2.3 3,-1.6 -5,-0.2 5,-0.4 0.923 112.4 48.2 -64.5 -43.8 -0.3 28.7 55.7 516 167 B H H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.864 106.0 57.6 -65.8 -33.0 1.1 25.2 55.6 517 168 B R T 3<5S- 0 0 95 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.535 120.2-111.8 -72.8 -8.1 3.1 25.9 58.8 518 169 B G T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.575 85.2 119.0 88.2 15.9 -0.2 26.8 60.5 519 170 B L < - 0 0 51 -5,-2.4 2,-0.8 1,-0.3 -4,-0.2 0.406 64.9-140.9 -94.9 2.7 0.4 30.5 60.9 520 171 B G - 0 0 49 -6,-0.4 -1,-0.3 -5,-0.4 2,-0.2 -0.603 56.3 -14.3 79.0-115.2 -2.5 31.6 58.8 521 172 B S - 0 0 71 -2,-0.8 -10,-0.0 2,-0.3 -9,-0.0 -0.703 68.6 -99.3-120.7 178.4 -1.6 34.5 56.6 522 173 B L S > S+ 0 0 4 -2,-0.2 3,-2.5 2,-0.1 27,-0.2 0.688 85.4 113.7 -66.8 -18.6 1.2 37.1 56.5 523 174 B D T 3 S+ 0 0 112 1,-0.3 -2,-0.3 25,-0.1 25,-0.2 -0.380 89.8 6.5 -59.5 121.8 -1.0 39.6 58.3 524 175 B G T 3 S+ 0 0 56 23,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.651 101.4 122.7 83.1 11.6 0.5 40.2 61.7 525 176 B L < - 0 0 14 -3,-2.5 24,-2.7 22,-0.1 2,-0.6 -0.782 61.2-125.6-103.8 158.5 3.7 38.2 61.1 526 177 B T E -u 549 0G 41 -2,-0.3 56,-2.6 22,-0.2 57,-2.1 -0.912 26.9-168.6-101.6 125.4 7.2 39.5 61.3 527 178 B V E -uv 550 583G 0 22,-2.6 24,-2.6 -2,-0.6 2,-0.7 -0.972 9.7-154.4-116.7 125.2 9.2 38.9 58.2 528 179 B L E -uv 551 584G 0 55,-3.0 57,-3.2 -2,-0.5 2,-0.6 -0.885 9.7-163.8-100.6 113.8 13.0 39.5 58.1 529 180 B V E -uv 552 585G 0 22,-2.9 24,-1.9 -2,-0.7 2,-0.8 -0.871 2.6-161.7 -98.8 118.3 14.2 40.2 54.6 530 181 B Q E S+uv 553 586G 20 55,-2.4 57,-3.0 -2,-0.6 24,-0.2 -0.879 70.1 30.0-100.4 105.5 18.0 39.8 54.2 531 182 B G - 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