==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUL-02 1M76 . COMPND 2 MOLECULE: 3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.BARYCKI,L.J.BANASZAK . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.1 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 . 2 0.3 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 . 35 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 0 4 0 0 1 4 4 3 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 4 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 12 A K 0 0 121 0, 0.0 2,-0.1 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0 111.8 -9.5 16.6 -4.7 2 13 A I - 0 0 44 116,-0.1 2,-0.6 89,-0.1 89,-0.0 -0.462 360.0-136.7 -82.3 151.3 -6.8 14.8 -2.7 3 14 A I - 0 0 127 -2,-0.1 2,-0.4 173,-0.1 171,-0.1 -0.936 26.5-126.0-106.8 114.7 -3.0 15.3 -3.1 4 15 A V + 0 0 10 -2,-0.6 3,-0.1 169,-0.3 86,-0.0 -0.457 54.1 137.4 -66.0 119.3 -1.3 11.9 -3.0 5 16 A K + 0 0 140 -2,-0.4 24,-2.2 1,-0.3 2,-0.7 0.611 61.8 51.8-126.9 -46.9 1.5 11.9 -0.4 6 17 A H E S-a 29 0A 55 22,-0.2 85,-2.0 24,-0.0 86,-1.3 -0.891 72.7-171.1-101.8 114.6 1.3 8.6 1.5 7 18 A V E -ab 30 92A 0 22,-2.8 24,-2.4 -2,-0.7 2,-0.6 -0.917 14.8-158.2-115.2 129.2 1.2 5.6 -0.9 8 19 A T E -ab 31 93A 0 84,-3.1 86,-2.8 -2,-0.5 2,-0.6 -0.897 10.5-164.9-104.4 118.9 0.6 2.0 -0.2 9 20 A V E -ab 32 94A 0 22,-2.2 24,-3.3 -2,-0.6 2,-0.7 -0.915 5.2-155.8-108.7 118.9 2.0 -0.4 -2.8 10 21 A I E +ab 33 95A 10 84,-2.0 86,-3.2 -2,-0.6 24,-0.2 -0.834 67.7 31.5 -95.9 114.7 0.7 -4.0 -2.6 11 22 A G - 0 0 5 22,-3.8 23,-0.2 -2,-0.7 22,-0.1 0.396 59.5-150.0 107.7 116.8 3.2 -6.4 -4.2 12 23 A G + 0 0 4 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.043 58.4 114.9-106.7 31.9 6.9 -6.0 -4.2 13 24 A G S > S- 0 0 43 83,-0.5 4,-2.2 4,-0.1 5,-0.4 0.276 89.1 -52.7 -79.1-151.5 7.6 -7.8 -7.5 14 25 A L H > S+ 0 0 77 1,-0.2 4,-0.8 2,-0.2 138,-0.3 0.896 140.0 27.1 -54.4 -47.0 9.0 -6.4 -10.7 15 26 A M H > S+ 0 0 35 81,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 119.0 54.9 -85.0 -45.8 6.5 -3.6 -11.0 16 27 A G H > S+ 0 0 0 80,-0.4 4,-2.3 1,-0.2 -4,-0.2 0.906 109.6 47.3 -55.2 -46.1 5.6 -3.0 -7.3 17 28 A A H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.903 113.7 48.0 -63.6 -42.1 9.3 -2.5 -6.3 18 29 A G H X S+ 0 0 7 -4,-0.8 4,-2.5 -5,-0.4 5,-0.3 0.917 110.8 50.5 -65.0 -44.4 9.9 -0.1 -9.1 19 30 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.919 112.2 47.6 -59.5 -43.7 6.7 1.9 -8.4 20 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.901 110.7 53.2 -64.4 -39.9 7.8 2.1 -4.7 21 32 A Q H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.930 113.0 40.9 -61.1 -49.6 11.2 3.2 -5.8 22 33 A V H X S+ 0 0 16 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.894 114.5 51.6 -68.7 -40.1 10.1 6.1 -8.0 23 34 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.3 3,-0.3 0.912 115.0 43.2 -63.2 -40.9 7.4 7.2 -5.6 24 35 A A H ><5S+ 0 0 5 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.846 109.7 56.1 -72.8 -35.1 9.9 7.3 -2.7 25 36 A A H 3<5S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.698 106.5 53.1 -70.6 -17.5 12.6 9.0 -4.9 26 37 A T T 3<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.062 128.1 -91.7-105.4 23.2 10.1 11.8 -5.6 27 38 A G T < 5S+ 0 0 68 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.486 80.8 132.1 87.0 2.7 9.3 12.6 -2.0 28 39 A H < - 0 0 13 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.616 58.9-121.7 -87.6 149.1 6.2 10.4 -1.3 29 40 A T E -a 6 0A 72 -24,-2.2 -22,-2.8 -2,-0.2 2,-0.4 -0.820 38.3-162.3 -89.4 124.8 6.1 8.3 1.9 30 41 A V E -ac 7 77A 3 46,-2.4 48,-3.3 -2,-0.6 2,-0.5 -0.860 23.6-165.7-116.0 144.6 5.7 4.7 0.8 31 42 A V E -ac 8 78A 17 -24,-2.4 -22,-2.2 -2,-0.4 2,-0.5 -0.938 15.7-158.2-125.7 106.0 4.6 1.5 2.4 32 43 A L E -ac 9 79A 0 46,-3.2 48,-1.6 -2,-0.5 2,-0.4 -0.741 11.7-165.7 -87.6 125.3 5.5 -1.6 0.4 33 44 A V E +ac 10 80A 5 -24,-3.3 -22,-3.8 -2,-0.5 2,-0.3 -0.913 17.8 148.3-116.9 137.7 3.4 -4.7 1.2 34 45 A D - 0 0 25 46,-1.7 49,-0.1 -2,-0.4 6,-0.0 -0.912 53.0 -90.5-152.1 179.5 4.0 -8.3 0.3 35 46 A Q S S+ 0 0 164 -2,-0.3 2,-0.3 47,-0.1 46,-0.1 0.808 96.4 22.1 -70.0 -37.1 3.4 -11.9 1.6 36 47 A T > - 0 0 59 1,-0.1 4,-1.9 44,-0.1 5,-0.1 -0.913 68.7-120.3-134.0 163.1 6.5 -12.7 3.6 37 48 A E H > S+ 0 0 113 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.815 114.4 54.8 -68.6 -29.1 9.3 -10.9 5.4 38 49 A D H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 106.6 48.5 -71.5 -40.6 11.8 -12.7 3.1 39 50 A I H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.934 112.2 50.2 -64.6 -44.2 10.1 -11.5 -0.1 40 51 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.886 108.8 51.3 -61.0 -41.2 10.1 -7.9 1.2 41 52 A A H X S+ 0 0 59 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.904 111.1 48.7 -64.0 -39.8 13.8 -8.0 2.2 42 53 A K H X S+ 0 0 156 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 112.0 49.4 -66.1 -40.7 14.6 -9.2 -1.4 43 54 A S H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.937 113.2 44.5 -63.1 -49.1 12.4 -6.4 -2.9 44 55 A K H X S+ 0 0 62 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.875 112.1 53.4 -65.3 -36.5 14.0 -3.7 -0.8 45 56 A K H X S+ 0 0 135 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.918 109.7 49.1 -63.7 -41.0 17.5 -5.1 -1.5 46 57 A G H X S+ 0 0 34 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.874 107.4 53.5 -65.2 -38.5 16.6 -5.0 -5.2 47 58 A I H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.862 106.3 55.0 -64.0 -34.2 15.5 -1.4 -5.0 48 59 A E H X S+ 0 0 68 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.905 106.5 49.5 -66.1 -42.3 18.8 -0.6 -3.3 49 60 A E H X S+ 0 0 86 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.910 109.9 51.4 -62.8 -42.6 20.8 -2.1 -6.3 50 61 A S H X S+ 0 0 41 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.840 115.2 42.1 -63.4 -35.3 18.7 -0.1 -8.8 51 62 A L H X S+ 0 0 3 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.883 108.4 60.1 -78.2 -40.4 19.3 3.1 -6.8 52 63 A R H X S+ 0 0 64 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.865 101.6 53.9 -54.0 -41.8 23.0 2.3 -6.3 53 64 A K H X S+ 0 0 159 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.954 109.8 47.4 -58.7 -50.3 23.6 2.2 -10.0 54 65 A V H >X>S+ 0 0 55 -4,-1.1 4,-4.0 1,-0.2 3,-1.5 0.960 111.3 51.9 -53.1 -55.2 22.1 5.6 -10.3 55 66 A A H 3X5S+ 0 0 6 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.884 106.4 52.0 -49.0 -50.3 24.3 6.9 -7.4 56 67 A K H 3<5S+ 0 0 141 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.671 124.5 29.0 -65.0 -16.7 27.5 5.5 -8.9 57 68 A K H X<5S+ 0 0 173 -3,-1.5 3,-0.9 -4,-1.0 -2,-0.2 0.807 123.2 43.4-107.7 -51.1 26.8 7.3 -12.2 58 69 A K H 3<5S+ 0 0 138 -4,-4.0 -3,-0.2 1,-0.2 -2,-0.2 0.681 126.5 34.6 -71.0 -19.6 24.7 10.4 -11.3 59 70 A F T 3< + 0 0 86 1,-0.2 4,-1.4 -4,-0.1 -1,-0.3 -0.788 65.2 166.9-106.7 89.6 29.7 13.8 -5.3 63 74 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.930 76.4 52.1 -67.5 -46.6 29.9 10.3 -3.6 64 75 A K H > S+ 0 0 160 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 107.6 52.9 -58.0 -41.0 28.4 11.4 -0.3 65 76 A A H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 107.8 53.4 -60.9 -40.9 25.4 13.0 -2.0 66 77 A G H X S+ 0 0 1 -4,-1.4 4,-2.8 -7,-0.3 -2,-0.2 0.950 109.6 45.2 -58.3 -53.3 24.9 9.7 -3.8 67 78 A D H X S+ 0 0 64 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.919 112.6 52.6 -56.1 -46.6 24.8 7.6 -0.6 68 79 A E H X S+ 0 0 123 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.909 109.8 49.3 -55.7 -45.8 22.6 10.2 1.0 69 80 A F H X S+ 0 0 46 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.954 114.5 43.6 -59.3 -52.5 20.2 9.9 -2.0 70 81 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.934 116.8 46.1 -60.1 -48.9 20.1 6.2 -1.8 71 82 A E H X S+ 0 0 111 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.914 113.4 49.2 -60.9 -45.8 19.8 6.0 2.0 72 83 A K H X S+ 0 0 157 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.882 112.0 47.8 -63.0 -40.9 17.1 8.7 2.1 73 84 A T H < S+ 0 0 6 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.938 113.9 47.0 -66.6 -45.8 15.0 7.0 -0.7 74 85 A L H >< S+ 0 0 21 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.912 108.7 55.0 -61.7 -42.2 15.3 3.6 1.0 75 86 A S H 3< S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 100.8 60.6 -60.9 -30.1 14.4 5.1 4.4 76 87 A T T 3< S+ 0 0 37 -4,-1.3 -46,-2.4 -3,-0.3 2,-0.6 0.405 92.1 80.4 -78.8 2.6 11.2 6.5 2.7 77 88 A I E < -c 30 0A 1 -3,-2.1 -46,-0.2 -48,-0.1 2,-0.2 -0.918 63.1-172.4-115.1 109.0 10.1 3.0 2.0 78 89 A A E -c 31 0A 49 -48,-3.3 -46,-3.2 -2,-0.6 2,-0.3 -0.587 11.4-144.1 -92.2 159.4 8.5 1.1 4.8 79 90 A T E +c 32 0A 51 -48,-0.2 2,-0.3 -2,-0.2 -46,-0.2 -0.895 22.6 161.4-125.3 157.2 7.6 -2.6 4.6 80 91 A S E -c 33 0A 24 -48,-1.6 -46,-1.7 -2,-0.3 3,-0.1 -0.973 35.8-150.5-167.7 155.5 4.8 -4.7 5.9 81 92 A T S S+ 0 0 73 -2,-0.3 2,-0.4 -48,-0.2 -48,-0.1 0.210 86.3 74.6-114.4 11.1 3.0 -8.0 5.5 82 93 A D >> + 0 0 74 1,-0.1 4,-1.7 2,-0.0 3,-0.7 -0.705 49.7 171.4-128.8 81.7 -0.4 -6.7 6.7 83 94 A A H 3> S+ 0 0 14 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.890 74.6 65.3 -53.5 -46.6 -2.0 -4.5 4.1 84 95 A A H 34 S+ 0 0 3 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.846 107.4 40.0 -47.7 -43.6 -5.3 -4.3 6.0 85 96 A S H X4 S+ 0 0 65 -3,-0.7 3,-0.9 1,-0.2 4,-0.3 0.901 113.9 54.2 -75.5 -40.3 -3.7 -2.4 8.9 86 97 A V H >< S+ 0 0 26 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.880 103.1 55.1 -60.8 -42.2 -1.5 -0.2 6.6 87 98 A V G >< S+ 0 0 0 -4,-2.7 29,-1.1 1,-0.2 3,-0.5 0.617 76.7 97.9 -70.8 -11.8 -4.4 1.0 4.5 88 99 A H G < S+ 0 0 135 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.2 0.876 104.4 13.5 -41.8 -45.0 -6.3 2.3 7.5 89 100 A S G < S+ 0 0 82 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.3 -0.865 93.3 121.1-139.5 100.4 -4.9 5.7 6.7 90 101 A T < - 0 0 1 -3,-0.5 26,-0.2 -2,-0.4 -83,-0.2 -0.968 52.7-138.5-155.1 150.6 -3.3 6.1 3.2 91 102 A D S S+ 0 0 30 -85,-2.0 29,-2.0 -2,-0.3 2,-0.3 0.805 85.8 13.7 -84.4 -31.1 -4.0 8.4 0.3 92 103 A L E -bd 7 120A 0 -86,-1.3 -84,-3.1 27,-0.2 2,-0.6 -0.992 55.5-154.5-151.1 138.6 -3.6 5.8 -2.4 93 104 A V E -bd 8 121A 0 27,-3.0 29,-2.6 -2,-0.3 2,-0.7 -0.960 13.0-169.1-112.4 118.5 -3.4 2.0 -2.8 94 105 A V E -bd 9 122A 0 -86,-2.8 -84,-2.0 -2,-0.6 2,-0.5 -0.930 11.9-152.6-110.1 109.1 -1.5 0.9 -5.9 95 106 A E E +bd 10 123A 1 27,-3.0 29,-2.4 -2,-0.7 -84,-0.2 -0.717 25.6 163.8 -88.1 125.7 -2.0 -2.9 -6.4 96 107 A A + 0 0 17 -86,-3.2 -83,-0.5 -2,-0.5 -80,-0.4 -0.414 31.4 125.2-134.9 56.4 0.7 -4.8 -8.3 97 108 A I - 0 0 45 1,-0.2 3,-0.1 -85,-0.1 7,-0.1 -0.465 68.1 -36.0-107.0-178.0 0.1 -8.5 -7.5 98 109 A V - 0 0 69 1,-0.2 2,-2.0 -2,-0.2 -1,-0.2 0.021 63.8-110.9 -39.7 133.8 -0.4 -11.6 -9.7 99 110 A E S S+ 0 0 14 -3,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.521 75.8 123.0 -72.4 84.1 -2.3 -10.9 -12.9 100 111 A N > - 0 0 71 -2,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.891 55.0-147.8-151.0 114.2 -5.5 -12.8 -11.9 101 112 A L H > S+ 0 0 63 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.898 96.8 48.1 -48.0 -56.2 -8.9 -11.3 -11.8 102 113 A K H > S+ 0 0 176 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 112.5 49.4 -55.5 -45.8 -10.4 -13.3 -8.9 103 114 A V H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 113.0 46.6 -61.9 -42.1 -7.3 -12.7 -6.7 104 115 A K H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.919 112.0 50.8 -66.7 -43.5 -7.4 -8.9 -7.4 105 116 A N H X S+ 0 0 40 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.925 110.4 48.8 -59.3 -47.0 -11.1 -8.7 -6.7 106 117 A E H X S+ 0 0 143 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.890 111.5 51.6 -60.8 -39.5 -10.8 -10.5 -3.4 107 118 A L H X S+ 0 0 32 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.962 114.6 39.6 -61.6 -55.2 -7.9 -8.2 -2.4 108 119 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.821 110.1 58.6 -67.4 -33.4 -9.8 -5.0 -3.1 109 120 A K H < S+ 0 0 122 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.940 112.7 42.0 -60.9 -43.6 -13.1 -6.2 -1.7 110 121 A R H >< S+ 0 0 119 -4,-1.7 3,-1.3 -5,-0.2 4,-0.5 0.917 114.7 47.3 -69.1 -48.1 -11.3 -6.8 1.6 111 122 A L H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 3,-1.6 0.835 98.0 71.7 -65.0 -31.5 -9.2 -3.6 1.7 112 123 A D T 3< S+ 0 0 23 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.764 97.4 52.6 -55.1 -23.1 -12.2 -1.5 0.8 113 124 A K T <4 S+ 0 0 154 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.687 115.0 38.1 -87.1 -19.7 -13.4 -2.3 4.3 114 125 A F T <4 S+ 0 0 93 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.674 94.1 96.8-103.5 -22.4 -10.2 -1.1 6.0 115 126 A A S < S- 0 0 13 -4,-2.5 -27,-0.2 1,-0.1 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235 246 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.815 121.4 48.3 -57.9 -35.1 10.6 -10.1 -28.5 236 247 A F H > S+ 0 0 0 -18,-0.2 4,-2.0 2,-0.2 51,-0.3 0.867 111.3 49.7 -75.4 -35.4 12.1 -13.1 -26.7 237 248 A E H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.950 114.3 46.8 -65.5 -45.5 14.5 -10.9 -24.6 238 249 A L H X S+ 0 0 33 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.861 107.8 54.9 -64.6 -39.1 11.5 -8.7 -23.7 239 250 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.960 111.2 45.1 -59.7 -49.6 9.2 -11.7 -22.8 240 251 A D H < S+ 0 0 0 -4,-2.0 41,-2.4 1,-0.2 42,-0.5 0.852 113.6 51.3 -61.1 -35.5 11.9 -13.0 -20.4 241 252 A Y H < S+ 0 0 57 -4,-1.8 -2,-0.2 39,-0.2 -1,-0.2 0.940 115.7 40.0 -66.6 -49.0 12.3 -9.4 -19.0 242 253 A V H < S- 0 0 39 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.864 123.3 -97.5 -68.5 -41.0 8.5 -9.0 -18.5 243 254 A G X - 0 0 0 -4,-3.2 4,-2.1 -5,-0.3 37,-0.2 0.260 13.3-131.9 119.4 116.1 7.9 -12.5 -17.2 244 255 A L H > S+ 0 0 0 35,-2.2 4,-2.4 1,-0.2 5,-0.2 0.819 107.5 55.4 -63.2 -32.7 6.6 -15.6 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-1,-0.3 -5,-0.0 5,-0.1 0.661 80.4 111.7 -89.9 -16.7 -10.3 -15.3 -43.1 553 272 B N X - 0 0 32 -3,-1.3 3,-1.0 -6,-0.2 -3,-0.1 -0.394 59.0-152.1 -61.7 118.9 -7.1 -14.4 -41.2 554 273 B P G > S+ 0 0 41 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.771 90.4 71.4 -63.8 -23.6 -7.8 -11.5 -38.9 555 274 B L G 3 S+ 0 0 16 1,-0.2 -58,-0.1 -9,-0.1 -8,-0.1 0.872 103.9 37.9 -59.3 -38.5 -4.2 -10.5 -39.1 556 275 B H G < S+ 0 0 5 -3,-1.0 -1,-0.2 -6,-0.3 -9,-0.1 0.009 75.9 139.2-107.8 28.8 -4.6 -9.3 -42.7 557 276 B Q < - 0 0 68 -3,-1.1 -13,-0.1 1,-0.1 -14,-0.0 -0.593 57.9-112.8 -73.9 126.7 -8.0 -7.7 -42.8 558 277 B P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.214 24.2-125.9 -60.0 147.0 -7.9 -4.4 -44.8 559 278 B S > - 0 0 1 1,-0.1 4,-2.8 2,-0.0 5,-0.2 -0.842 5.5-152.8 -99.2 127.4 -8.3 -1.1 -43.1 560 279 B P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.909 100.1 49.4 -62.6 -41.0 -11.0 1.3 -44.4 561 280 B S H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 112.7 46.4 -63.7 -45.5 -9.0 4.3 -43.1 562 281 B L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 112.9 49.7 -64.1 -43.5 -5.8 3.0 -44.8 563 282 B N H X S+ 0 0 53 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.881 109.9 51.9 -63.1 -38.3 -7.6 2.3 -48.1 564 283 B K H X S+ 0 0 133 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 109.1 48.0 -64.8 -48.6 -9.2 5.8 -48.1 565 284 B L H <>S+ 0 0 23 -4,-2.1 5,-2.7 2,-0.2 3,-0.3 0.945 114.3 47.2 -57.2 -48.2 -5.9 7.6 -47.6 566 285 B V H ><5S+ 0 0 18 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.923 110.7 52.4 -59.7 -43.4 -4.3 5.6 -50.3 567 286 B A H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.4 49.7 -62.0 -30.8 -7.3 6.2 -52.6 568 287 B E T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.281 120.2-112.0 -91.2 9.7 -6.9 9.9 -51.9 569 288 B N T < 5S+ 0 0 114 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.840 72.4 138.8 62.8 37.1 -3.2 9.7 -52.8 570 289 B K < + 0 0 54 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.874 15.5 162.0-110.5 92.6 -2.0 10.4 -49.2 571 290 B F - 0 0 41 -2,-0.8 -35,-2.8 1,-0.3 2,-0.3 0.420 50.4-105.0 -94.4 0.5 0.9 7.9 -48.9 572 291 B G B >>>S-Q 577 0D 0 5,-2.1 3,-1.9 -37,-0.2 5,-1.4 -0.842 78.4 -8.7 115.1-152.3 2.7 9.5 -46.0 573 292 B K G >45S+ 0 0 109 -41,-1.6 3,-1.0 -2,-0.3 -1,-0.2 0.869 127.3 62.4 -51.9 -42.5 5.9 11.5 -45.8 574 293 B K G 345S+ 0 0 84 -42,-0.5 -1,-0.3 -3,-0.3 -41,-0.1 0.680 114.0 33.8 -61.0 -18.4 6.7 10.8 -49.4 575 294 B T G <45S- 0 0 64 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.383 117.3-108.1-113.4 -2.3 3.6 12.6 -50.6 576 295 B G T <<5S+ 0 0 20 -3,-1.0 6,-2.8 -4,-0.9 2,-0.3 0.333 95.1 51.5 92.5 -8.1 3.6 15.2 -47.8 577 296 B E B < +QR 572 581D 66 -5,-1.4 -5,-2.1 4,-0.2 4,-0.2 -0.908 46.0 137.5-165.3 133.5 0.6 13.6 -46.0 578 297 B G S S- 0 0 2 2,-3.2 -7,-0.1 -2,-0.3 -6,-0.1 -0.060 91.1 -24.8-136.4-118.1 -0.6 10.3 -44.7 579 298 B F S S+ 0 0 23 -51,-0.3 2,-0.2 -2,-0.1 -50,-0.1 0.839 142.5 38.2 -70.8 -30.7 -2.3 9.8 -41.4 580 299 B Y S S- 0 0 43 -52,-0.2 -2,-3.2 -51,-0.1 2,-0.5 -0.723 88.9-117.8-114.5 165.3 -0.4 13.0 -40.5 581 300 B K B -R 577 0D 170 -2,-0.2 -4,-0.2 -4,-0.2 2,-0.2 -0.890 31.0-173.3-107.0 131.6 0.3 16.2 -42.4 582 301 B Y 0 0 66 -6,-2.8 -10,-0.0 -2,-0.5 0, 0.0 -0.630 360.0 360.0-115.2 176.3 3.9 17.1 -43.1 583 302 B K 0 0 267 -2,-0.2 -1,-0.1 -6,-0.0 -10,-0.0 0.974 360.0 360.0 -54.0 360.0 5.6 20.2 -44.6