==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAY-00 1F0Y . COMPND 2 MOLECULE: L-3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.BARYCKI,L.K.O'BRIEN,A.W.STRAUSS,L.J.BANASZAK . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 74.7 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 . 36 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 40.2 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 5 2 0 0 2 0 0 1 0 1 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 0 134 0, 0.0 2,-0.2 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0 74.2 -9.2 17.1 -4.7 2 13 A I - 0 0 44 116,-0.1 2,-0.7 167,-0.1 89,-0.0 -0.576 360.0-142.5 -83.3 144.1 -6.8 14.9 -2.7 3 14 A I - 0 0 123 -2,-0.2 2,-0.3 173,-0.0 171,-0.1 -0.931 23.4-126.5-106.5 113.4 -3.0 15.3 -3.2 4 15 A V + 0 0 10 -2,-0.7 3,-0.1 169,-0.3 -2,-0.0 -0.435 53.2 139.3 -63.8 119.9 -1.3 11.9 -3.0 5 16 A K + 0 0 137 1,-0.3 24,-2.0 -2,-0.3 2,-0.6 0.618 61.1 52.4-126.4 -45.8 1.5 12.0 -0.5 6 17 A H E S-a 29 0A 52 22,-0.2 85,-1.9 24,-0.0 86,-1.2 -0.890 72.3-171.1-100.8 119.4 1.3 8.7 1.4 7 18 A V E -ab 30 92A 0 22,-3.2 24,-2.3 -2,-0.6 2,-0.5 -0.943 15.5-159.2-121.6 130.9 1.3 5.7 -0.9 8 19 A T E -ab 31 93A 0 84,-3.1 86,-2.8 -2,-0.4 2,-0.6 -0.910 10.3-165.4-105.3 122.3 0.7 2.0 -0.2 9 20 A V E -ab 32 94A 0 22,-2.3 24,-3.1 -2,-0.5 2,-0.7 -0.939 5.4-155.9-110.9 121.5 2.1 -0.4 -2.8 10 21 A I E +ab 33 95A 9 84,-2.0 86,-3.4 -2,-0.6 24,-0.2 -0.857 67.3 33.7-101.1 111.9 0.8 -4.0 -2.7 11 22 A G - 0 0 5 22,-3.4 23,-0.2 -2,-0.7 22,-0.1 0.245 59.1-151.9 114.1 120.6 3.2 -6.4 -4.3 12 23 A G + 0 0 4 4,-0.2 22,-0.1 20,-0.1 85,-0.1 -0.026 57.5 111.6-112.4 30.8 7.0 -6.0 -4.3 13 24 A G S > S- 0 0 45 83,-0.5 4,-2.4 4,-0.1 5,-0.4 0.164 91.3 -50.1 -82.2-155.1 7.8 -7.8 -7.5 14 25 A L H > S+ 0 0 77 1,-0.2 4,-0.7 2,-0.2 138,-0.3 0.868 140.1 28.3 -47.2 -48.2 9.2 -6.4 -10.7 15 26 A M H > S+ 0 0 36 81,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 118.6 53.1 -85.1 -44.4 6.6 -3.6 -10.9 16 27 A G H > S+ 0 0 0 80,-0.4 4,-2.5 1,-0.2 5,-0.2 0.912 109.9 48.5 -58.9 -45.1 5.7 -3.0 -7.3 17 28 A A H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.908 112.9 49.5 -61.8 -41.3 9.4 -2.5 -6.3 18 29 A G H X S+ 0 0 7 -4,-0.7 4,-2.1 -5,-0.4 -2,-0.2 0.882 110.7 48.4 -65.5 -40.7 9.8 -0.1 -9.2 19 30 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.932 112.0 49.3 -65.9 -44.6 6.7 1.9 -8.3 20 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.935 110.2 53.1 -59.3 -45.2 7.8 2.2 -4.7 21 32 A Q H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 112.4 41.5 -56.2 -50.7 11.3 3.3 -5.8 22 33 A V H X S+ 0 0 16 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.889 113.5 51.8 -69.0 -39.2 10.1 6.1 -8.0 23 34 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.3 0.940 115.4 42.8 -61.9 -44.9 7.4 7.4 -5.6 24 35 A A H ><5S+ 0 0 5 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.885 110.0 55.8 -68.0 -39.5 9.9 7.5 -2.8 25 36 A A H 3<5S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.1 51.5 -65.7 -20.8 12.6 9.0 -5.0 26 37 A T T 3<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.143 128.3 -92.5-103.4 18.9 10.1 11.8 -5.8 27 38 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.522 79.9 131.2 89.9 5.6 9.3 12.6 -2.1 28 39 A H < - 0 0 15 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.658 59.3-119.4 -91.8 149.8 6.2 10.5 -1.4 29 40 A T E -a 6 0A 73 -24,-2.0 -22,-3.2 -2,-0.3 2,-0.4 -0.779 38.9-163.9 -86.9 127.4 6.1 8.4 1.8 30 41 A V E -ac 7 77A 3 46,-2.5 48,-3.4 -2,-0.5 2,-0.5 -0.905 23.9-166.4-121.1 143.6 5.7 4.7 0.7 31 42 A V E -ac 8 78A 17 -24,-2.3 -22,-2.3 -2,-0.4 2,-0.5 -0.958 16.6-157.6-124.2 108.8 4.7 1.5 2.4 32 43 A L E -ac 9 79A 0 46,-3.7 48,-1.6 -2,-0.5 2,-0.4 -0.774 11.8-165.7 -90.0 127.3 5.6 -1.6 0.4 33 44 A V E +ac 10 80A 5 -24,-3.1 -22,-3.4 -2,-0.5 2,-0.3 -0.914 18.0 147.7-117.7 138.6 3.6 -4.7 1.2 34 45 A D - 0 0 26 46,-1.7 49,-0.1 -2,-0.4 63,-0.0 -0.870 52.9 -89.5-150.7-174.3 4.1 -8.3 0.3 35 46 A Q S S+ 0 0 167 -2,-0.3 2,-0.3 47,-0.1 46,-0.1 0.839 96.0 19.9 -76.9 -37.7 3.5 -11.8 1.6 36 47 A T > - 0 0 60 1,-0.1 4,-1.7 44,-0.1 5,-0.1 -0.874 69.0-118.9-132.1 167.3 6.7 -12.7 3.6 37 48 A E H > S+ 0 0 114 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.804 113.8 55.6 -74.1 -28.9 9.6 -10.9 5.3 38 49 A D H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.864 106.6 50.1 -70.8 -36.0 12.1 -12.7 3.0 39 50 A I H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 110.5 49.7 -67.2 -44.6 10.3 -11.4 -0.1 40 51 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.866 108.7 52.9 -62.5 -37.3 10.3 -7.8 1.2 41 52 A A H X S+ 0 0 60 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.922 111.0 46.4 -64.2 -43.6 14.0 -8.0 2.0 42 53 A K H X S+ 0 0 159 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.888 112.9 50.7 -66.0 -38.3 14.8 -9.2 -1.5 43 54 A S H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.946 112.6 44.6 -64.2 -48.9 12.5 -6.4 -2.9 44 55 A K H X S+ 0 0 65 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.846 111.4 55.0 -66.2 -32.4 14.2 -3.7 -0.9 45 56 A K H X S+ 0 0 136 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.944 108.2 48.7 -64.7 -46.2 17.6 -5.1 -1.8 46 57 A G H X S+ 0 0 37 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.859 106.3 55.8 -61.2 -38.5 16.8 -4.9 -5.5 47 58 A I H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.875 104.6 55.5 -61.8 -36.0 15.5 -1.3 -5.2 48 59 A E H X S+ 0 0 72 -4,-1.5 4,-2.8 -3,-0.2 -1,-0.2 0.921 106.6 48.4 -63.5 -45.3 18.9 -0.4 -3.7 49 60 A E H X S+ 0 0 72 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.882 110.7 51.4 -63.0 -38.6 20.8 -1.8 -6.7 50 61 A S H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.896 112.9 46.1 -64.5 -39.2 18.5 0.1 -9.0 51 62 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 104.7 59.3 -70.1 -41.1 19.2 3.3 -7.0 52 63 A R H X S+ 0 0 82 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.802 111.9 43.3 -57.4 -27.7 23.0 2.6 -6.9 53 64 A K H X S+ 0 0 130 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.829 110.5 52.4 -85.6 -37.2 22.8 2.7 -10.7 54 65 A V H < S+ 0 0 51 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.736 114.3 48.4 -69.2 -21.1 20.5 5.8 -10.8 55 66 A A H >X S+ 0 0 5 -4,-2.1 4,-4.2 2,-0.2 3,-1.9 0.956 103.1 53.7 -82.2 -59.3 23.1 7.4 -8.6 56 67 A K H 3< S+ 0 0 142 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.674 118.7 41.4 -51.4 -16.7 26.4 6.7 -10.4 57 68 A K T 3< S+ 0 0 181 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.516 124.6 32.8-110.2 -9.4 24.7 8.2 -13.4 58 69 A K T <4 S+ 0 0 146 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.2 0.529 133.5 29.0-118.6 -18.4 22.9 11.2 -11.8 59 70 A F S < S+ 0 0 52 -4,-4.2 3,-0.5 1,-0.1 7,-0.3 -0.265 78.7 133.4-135.2 43.3 25.5 11.9 -9.0 60 71 A A S S+ 0 0 59 1,-0.2 -3,-0.1 6,-0.1 -1,-0.1 0.953 77.3 39.3 -61.0 -54.9 28.6 10.7 -10.8 61 72 A E S S+ 0 0 190 1,-0.2 -1,-0.2 2,-0.1 -5,-0.1 0.445 116.8 56.4 -77.5 0.8 30.9 13.6 -10.0 62 73 A N > + 0 0 88 -3,-0.5 4,-0.9 1,-0.1 -1,-0.2 -0.670 62.2 171.2-134.8 78.8 29.4 13.8 -6.5 63 74 A P H > S+ 0 0 94 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.857 76.7 50.4 -54.8 -45.9 29.8 10.4 -4.8 64 75 A K H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 107.1 53.2 -65.3 -40.6 28.7 11.4 -1.3 65 76 A A H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.766 105.0 60.4 -64.7 -23.5 25.5 13.1 -2.5 66 77 A G H X S+ 0 0 4 -4,-0.9 4,-2.4 -3,-0.3 -1,-0.2 0.946 104.6 44.5 -68.4 -49.9 24.9 9.8 -4.2 67 78 A D H X S+ 0 0 87 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.902 112.2 52.5 -61.1 -43.9 24.9 7.7 -1.0 68 79 A E H X S+ 0 0 113 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.917 110.3 49.9 -58.2 -43.3 22.7 10.3 0.8 69 80 A F H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.922 113.6 44.2 -60.4 -48.0 20.3 10.0 -2.1 70 81 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.925 116.5 46.4 -64.0 -46.3 20.2 6.2 -2.0 71 82 A E H X S+ 0 0 57 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.924 113.5 47.5 -63.6 -47.1 19.9 6.1 1.8 72 83 A K H X S+ 0 0 146 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.872 112.6 49.8 -64.1 -37.8 17.2 8.8 2.0 73 84 A T H < S+ 0 0 3 -4,-2.0 3,-0.4 -5,-0.3 -2,-0.2 0.952 111.9 46.7 -66.6 -48.3 15.1 7.1 -0.7 74 85 A L H >< S+ 0 0 21 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.858 109.3 56.5 -60.9 -35.1 15.3 3.7 0.9 75 86 A S H 3< S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.835 99.2 58.8 -66.2 -33.6 14.4 5.2 4.2 76 87 A T T 3< S+ 0 0 46 -4,-1.4 -46,-2.5 -3,-0.4 2,-0.6 0.346 93.6 82.5 -78.7 8.1 11.2 6.7 2.7 77 88 A I E < -c 30 0A 1 -3,-1.4 -46,-0.2 -48,-0.2 2,-0.2 -0.917 62.4-174.7-116.9 105.1 10.2 3.1 1.9 78 89 A A E -c 31 0A 47 -48,-3.4 -46,-3.7 -2,-0.6 2,-0.3 -0.574 11.3-145.8 -91.8 160.2 8.6 1.2 4.7 79 90 A T E +c 32 0A 51 -48,-0.2 2,-0.3 -2,-0.2 -46,-0.2 -0.889 20.5 165.4-126.6 159.3 7.7 -2.5 4.5 80 91 A S E -c 33 0A 25 -48,-1.6 -46,-1.7 -2,-0.3 3,-0.1 -0.963 35.3-150.6-168.3 151.7 4.9 -4.6 5.9 81 92 A T S S+ 0 0 72 -2,-0.3 2,-0.4 -48,-0.2 -48,-0.1 0.188 87.1 74.7-109.8 13.1 3.2 -8.0 5.5 82 93 A D >> + 0 0 79 1,-0.1 4,-1.6 2,-0.0 3,-0.5 -0.743 48.7 170.5-130.3 86.1 -0.2 -6.7 6.7 83 94 A A H 3> S+ 0 0 15 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.882 75.7 65.2 -60.5 -41.2 -1.9 -4.5 4.1 84 95 A A H 34 S+ 0 0 6 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.862 107.6 40.0 -50.7 -43.1 -5.2 -4.4 6.1 85 96 A S H X4 S+ 0 0 69 -3,-0.5 3,-1.1 1,-0.2 4,-0.3 0.896 113.2 54.0 -75.6 -41.1 -3.5 -2.4 8.9 86 97 A V H >< S+ 0 0 27 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.831 102.9 56.8 -62.7 -36.1 -1.4 -0.2 6.6 87 98 A V T 3< S+ 0 0 0 -4,-2.4 29,-1.0 1,-0.2 3,-0.5 0.543 74.4 97.5 -76.9 -6.8 -4.4 1.0 4.5 88 99 A H T < S+ 0 0 137 -3,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.877 105.5 12.1 -47.2 -40.6 -6.3 2.4 7.5 89 100 A S S < S+ 0 0 81 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.3 -0.865 91.9 118.6-145.0 104.3 -4.8 5.7 6.6 90 101 A T - 0 0 1 -3,-0.5 26,-0.2 -2,-0.3 -83,-0.2 -0.951 53.4-135.4-158.5 154.8 -3.1 6.1 3.2 91 102 A D S S+ 0 0 30 -85,-1.9 29,-2.2 -2,-0.3 2,-0.3 0.807 86.3 17.4 -88.0 -31.1 -3.9 8.4 0.2 92 103 A L E -bd 7 120A 0 -86,-1.2 -84,-3.1 27,-0.2 2,-0.6 -0.989 54.3-158.5-148.6 134.3 -3.5 5.8 -2.5 93 104 A V E -bd 8 121A 0 27,-2.8 29,-2.8 -2,-0.3 2,-0.7 -0.955 13.7-171.2-110.3 115.9 -3.3 2.0 -2.8 94 105 A V E -bd 9 122A 0 -86,-2.8 -84,-2.0 -2,-0.6 2,-0.4 -0.935 12.9-151.0-110.0 110.5 -1.5 0.8 -6.0 95 106 A E E +bd 10 123A 1 27,-2.9 29,-2.4 -2,-0.7 -84,-0.2 -0.683 26.6 163.8 -87.0 129.8 -1.9 -2.9 -6.5 96 107 A A + 0 0 17 -86,-3.4 -83,-0.5 -2,-0.4 -80,-0.4 -0.364 31.4 125.7-139.2 54.9 0.8 -4.8 -8.3 97 108 A I - 0 0 45 1,-0.2 3,-0.1 -86,-0.1 7,-0.1 -0.401 67.9 -35.7-104.2-175.9 0.2 -8.5 -7.4 98 109 A V - 0 0 70 1,-0.2 2,-2.0 -2,-0.1 -1,-0.2 0.011 63.5-110.1 -42.8 137.8 -0.3 -11.6 -9.6 99 110 A E S S+ 0 0 16 -3,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.532 76.4 121.4 -74.4 81.6 -2.2 -11.1 -12.9 100 111 A N > - 0 0 71 -2,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.915 55.0-148.6-148.9 117.1 -5.3 -13.0 -11.8 101 112 A L H > S+ 0 0 60 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.926 96.7 49.0 -51.5 -57.1 -8.8 -11.4 -11.7 102 113 A K H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 112.7 48.0 -52.2 -47.3 -10.2 -13.5 -8.8 103 114 A V H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 113.3 48.0 -62.4 -41.0 -7.1 -12.8 -6.6 104 115 A K H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.907 111.8 48.9 -67.6 -41.8 -7.2 -9.1 -7.3 105 116 A N H X S+ 0 0 34 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.926 110.0 51.5 -63.9 -43.0 -10.9 -8.8 -6.6 106 117 A E H X S+ 0 0 142 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.872 110.6 50.3 -60.5 -37.9 -10.6 -10.7 -3.3 107 118 A L H X S+ 0 0 36 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.959 115.1 39.9 -65.1 -54.7 -7.8 -8.3 -2.3 108 119 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.826 110.3 58.4 -67.1 -33.6 -9.6 -5.1 -3.1 109 120 A K H < S+ 0 0 123 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.950 113.4 41.1 -60.5 -44.8 -13.0 -6.3 -1.7 110 121 A R H >< S+ 0 0 121 -4,-1.6 3,-1.1 -5,-0.2 4,-0.4 0.906 115.4 47.5 -69.2 -45.7 -11.2 -6.9 1.6 111 122 A L H >X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.3 3,-1.7 0.839 97.1 72.3 -66.1 -32.8 -9.1 -3.7 1.7 112 123 A D T 3< S+ 0 0 24 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.799 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A L H <5S+ 0 0 46 -4,-2.8 222,-1.4 -5,-0.2 221,-0.4 0.731 127.6 37.6 -81.8 -22.2 18.5 -4.1 -36.2 228 239 A G H <5S+ 0 0 7 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.793 130.4 25.4 -98.5 -32.8 15.5 -3.9 -38.6 229 240 A A H < - 0 0 0 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.393 41.1-105.4 -71.4 158.2 14.1 -8.5 -29.3 235 246 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.859 119.5 48.6 -54.6 -40.9 10.7 -10.2 -28.6 236 247 A F H > S+ 0 0 0 -18,-0.3 4,-2.0 2,-0.2 51,-0.3 0.882 112.3 48.0 -69.5 -37.7 12.2 -13.2 -26.8 237 248 A E H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 113.6 48.5 -67.9 -40.2 14.5 -11.0 -24.6 238 249 A L H X S+ 0 0 30 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.903 107.5 55.0 -66.3 -40.6 11.5 -8.8 -23.8 239 250 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.944 111.5 44.1 -56.1 -50.3 9.3 -11.8 -22.9 240 251 A D H < S+ 0 0 0 -4,-2.0 41,-1.7 1,-0.2 42,-0.6 0.832 113.4 52.5 -62.2 -35.2 11.9 -13.0 -20.4 241 252 A Y H < S+ 0 0 51 -4,-1.8 -2,-0.2 39,-0.2 -1,-0.2 0.905 114.0 41.5 -68.1 -43.8 12.3 -9.4 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0 0 116 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.823 72.9 137.5 62.7 34.6 -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 -0.868 17.1 162.3-109.1 90.9 -2.0 10.4 -49.3 571 290 B F - 0 0 44 -2,-0.8 -35,-2.8 1,-0.3 2,-0.3 0.406 49.7-105.4 -93.6 1.1 0.8 7.9 -49.0 572 291 B G B >>>S-Q 577 0D 0 5,-2.5 3,-1.9 -37,-0.2 5,-1.5 -0.846 77.8 -8.9 115.0-150.7 2.6 9.4 -46.1 573 292 B K G >45S+ 0 0 111 -41,-1.7 3,-0.9 -2,-0.3 -1,-0.2 0.859 125.7 64.6 -55.9 -37.6 5.9 11.3 -45.8 574 293 B K G 345S+ 0 0 84 -42,-0.6 -1,-0.3 -3,-0.3 -41,-0.1 0.646 114.1 31.9 -64.0 -12.8 6.7 10.7 -49.5 575 294 B T G <45S- 0 0 66 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.346 116.8-104.8-121.8 1.8 3.6 12.7 -50.6 576 295 B G T <<5S+ 0 0 20 -3,-0.9 6,-2.9 -4,-0.7 2,-0.3 0.365 96.7 51.0 91.3 -6.3 3.5 15.2 -47.8 577 296 B E B < +QR 572 581D 50 -5,-1.5 -5,-2.5 4,-0.2 4,-0.2 -0.904 44.7 135.7-167.2 134.5 0.6 13.6 -46.1 578 297 B G S S- 0 0 2 2,-3.0 -7,-0.1 -2,-0.3 -6,-0.1 -0.091 92.8 -23.1-139.1-117.0 -0.6 10.2 -44.8 579 298 B F S S+ 0 0 23 -51,-0.3 2,-0.3 -2,-0.1 -50,-0.1 0.813 142.9 35.6 -71.2 -29.0 -2.3 9.7 -41.4 580 299 B Y S S- 0 0 42 -52,-0.2 -2,-3.0 -51,-0.1 2,-0.4 -0.764 88.5-116.6-118.5 165.1 -0.5 12.9 -40.5 581 300 B K B -R 577 0D 153 -2,-0.3 -4,-0.2 -4,-0.2 2,-0.2 -0.841 31.1-173.8-103.5 139.5 0.3 16.1 -42.5 582 301 B Y 0 0 73 -6,-2.9 -10,-0.0 -2,-0.4 -9,-0.0 -0.618 360.0 360.0-120.7-177.7 4.0 17.1 -43.2 583 302 B K 0 0 266 -2,-0.2 -1,-0.1 -6,-0.0 -10,-0.0 0.977 360.0 360.0 -58.9 360.0 5.7 20.1 -44.7