==== 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 1M75 . 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) . 25560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 74.2 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 . 16 2.7 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 . 50 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 40.7 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 0 2 0 0 4 0 0 0 6 2 4 0 0 0 2 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 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 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 0 122 0, 0.0 2,-0.2 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0 67.4 -8.9 16.8 -4.7 2 13 A I - 0 0 40 116,-0.1 2,-0.5 167,-0.1 89,-0.0 -0.523 360.0-138.8 -76.6 136.7 -6.5 14.7 -2.5 3 14 A I - 0 0 117 -2,-0.2 2,-0.6 173,-0.1 171,-0.1 -0.837 23.4-124.0 -93.9 129.7 -2.8 15.3 -3.0 4 15 A V + 0 0 10 -2,-0.5 3,-0.1 169,-0.2 176,-0.0 -0.644 55.9 135.4 -80.2 120.4 -1.0 12.0 -2.9 5 16 A K + 0 0 145 -2,-0.6 24,-2.4 1,-0.3 2,-0.7 0.601 62.9 53.4-125.2 -50.2 1.8 11.9 -0.2 6 17 A H E S-a 29 0A 52 22,-0.2 85,-1.8 24,-0.1 86,-1.4 -0.848 71.9-172.7 -97.3 116.9 1.4 8.6 1.6 7 18 A V E -ab 30 92A 0 22,-3.7 24,-2.3 -2,-0.7 2,-0.6 -0.927 14.8-160.3-118.0 133.3 1.5 5.7 -0.8 8 19 A T E -ab 31 93A 0 84,-3.5 86,-3.0 -2,-0.4 2,-0.6 -0.935 8.6-166.9-110.8 119.7 0.9 2.0 -0.2 9 20 A V E -ab 32 94A 0 22,-1.9 24,-3.2 -2,-0.6 2,-0.7 -0.926 6.0-157.2-110.6 117.3 2.2 -0.4 -2.8 10 21 A I E +ab 33 95A 10 84,-1.7 86,-2.7 -2,-0.6 24,-0.2 -0.826 67.8 37.0 -94.5 115.0 1.0 -4.0 -2.6 11 22 A G - 0 0 6 22,-3.6 23,-0.2 -2,-0.7 22,-0.1 0.360 58.8-152.6 112.5 115.0 3.4 -6.4 -4.3 12 23 A G + 0 0 5 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.071 58.6 111.7-107.4 33.4 7.2 -6.0 -4.2 13 24 A G S >>S- 0 0 44 83,-0.5 4,-2.0 4,-0.1 5,-0.5 0.149 91.2 -53.0 -84.7-154.8 7.9 -7.7 -7.5 14 25 A L H >5S+ 0 0 76 1,-0.2 4,-0.8 2,-0.2 138,-0.3 0.898 139.4 28.7 -49.9 -49.5 9.3 -6.3 -10.8 15 26 A M H >5S+ 0 0 39 2,-0.1 4,-2.6 81,-0.1 5,-0.2 0.950 119.7 51.0 -80.2 -53.2 6.6 -3.6 -10.9 16 27 A G H >5S+ 0 0 0 80,-0.4 4,-2.7 1,-0.2 5,-0.2 0.920 109.5 49.3 -51.8 -53.4 5.8 -2.9 -7.3 17 28 A A H X5S+ 0 0 13 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.951 113.6 47.8 -52.9 -51.5 9.3 -2.5 -6.1 18 29 A G H XS+ 0 0 0 -4,-2.6 5,-0.9 -5,-0.3 -1,-0.2 0.905 115.7 40.9 -60.9 -40.3 7.4 7.1 -5.4 24 35 A A H ><5S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.2 4,-0.3 0.896 110.1 57.3 -73.8 -42.4 10.0 7.3 -2.7 25 36 A A H 3<5S+ 0 0 38 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.749 105.7 53.2 -60.9 -24.2 12.7 9.0 -4.9 26 37 A T T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.085 127.7 -92.8-104.1 33.8 10.2 11.8 -5.6 27 38 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.910 80.9 129.2 61.2 50.7 9.5 12.6 -1.9 28 39 A H < - 0 0 14 -5,-0.9 2,-0.5 -4,-0.3 -1,-0.2 -0.926 59.7-117.7-125.9 152.9 6.4 10.4 -1.1 29 40 A T E -a 6 0A 70 -24,-2.4 -22,-3.7 -2,-0.3 2,-0.4 -0.805 38.2-167.1 -92.3 136.3 6.2 8.2 1.9 30 41 A V E -ac 7 77A 3 46,-2.3 48,-3.3 -2,-0.5 2,-0.5 -0.968 23.4-164.8-131.0 141.5 5.8 4.6 0.8 31 42 A V E -ac 8 78A 16 -24,-2.3 -22,-1.9 -2,-0.4 2,-0.4 -0.941 16.7-158.0-122.7 107.3 4.8 1.3 2.5 32 43 A L E -ac 9 79A 0 46,-2.8 48,-1.7 -2,-0.5 2,-0.4 -0.727 11.7-164.1 -87.1 129.1 5.7 -1.7 0.3 33 44 A V E +ac 10 80A 6 -24,-3.2 -22,-3.6 -2,-0.4 2,-0.3 -0.898 18.0 148.6-117.8 144.1 3.7 -4.8 1.2 34 45 A D - 0 0 32 46,-1.5 49,-0.1 -2,-0.4 63,-0.0 -0.942 52.5 -87.0-158.6 177.4 4.3 -8.4 0.2 35 46 A Q S S+ 0 0 159 -2,-0.3 2,-0.2 47,-0.1 -1,-0.1 0.933 97.2 17.4 -58.3 -60.0 3.8 -12.0 1.4 36 47 A T > - 0 0 62 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.733 68.9-117.9-119.3 169.1 6.9 -12.7 3.5 37 48 A E H > S+ 0 0 112 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.778 116.2 55.1 -73.4 -26.8 9.6 -10.9 5.3 38 49 A D H > S+ 0 0 136 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.927 105.6 51.6 -70.5 -44.9 12.2 -12.6 3.0 39 50 A I H >> S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.977 110.2 48.7 -53.2 -59.9 10.4 -11.4 -0.1 40 51 A L H 3X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.3 5,-0.3 0.858 108.4 53.5 -47.8 -45.3 10.4 -7.8 1.2 41 52 A A H 3X S+ 0 0 60 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.894 111.0 47.3 -60.7 -38.6 14.1 -8.0 2.0 42 53 A K H S+ 0 0 99 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.878 79.0 52.3 -70.5 -37.4 29.9 10.4 -4.2 64 75 A K H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.984 110.9 44.5 -62.0 -58.9 28.8 11.8 -0.9 65 76 A A H > S+ 0 0 18 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.624 107.8 67.3 -61.1 -10.6 25.5 13.2 -2.1 66 77 A G H > S+ 0 0 7 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.963 102.3 39.5 -73.7 -55.1 25.3 9.8 -3.9 67 78 A D H X S+ 0 0 73 -4,-1.7 4,-3.3 -3,-0.4 5,-0.3 0.904 111.4 61.7 -59.5 -42.6 24.9 7.7 -0.7 68 79 A E H X S+ 0 0 107 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.938 105.1 45.6 -47.5 -57.2 22.7 10.4 0.7 69 80 A F H X S+ 0 0 33 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.883 115.5 46.8 -55.6 -44.4 20.1 10.0 -2.0 70 81 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.939 113.9 45.8 -66.4 -48.8 20.2 6.2 -1.8 71 82 A E H X S+ 0 0 129 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.934 114.5 48.5 -60.4 -47.6 19.9 6.0 2.0 72 83 A K H X S+ 0 0 154 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.865 111.8 48.8 -62.2 -38.9 17.1 8.6 2.1 73 84 A T H < S+ 0 0 5 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.906 112.3 47.6 -69.1 -41.5 15.1 6.9 -0.6 74 85 A L H >< S+ 0 0 26 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.866 110.7 54.4 -65.8 -35.1 15.4 3.5 1.0 75 86 A S H 3< S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 100.6 57.5 -67.7 -36.5 14.4 5.1 4.3 76 87 A T T 3< S+ 0 0 36 -4,-1.8 -46,-2.3 -5,-0.1 2,-0.6 0.389 94.8 81.9 -77.5 8.5 11.2 6.6 2.9 77 88 A I E < -c 30 0A 1 -3,-1.2 -46,-0.2 -48,-0.2 2,-0.2 -0.903 63.8-173.4-116.2 104.4 10.3 3.0 2.0 78 89 A A E -c 31 0A 48 -48,-3.3 -46,-2.8 -2,-0.6 2,-0.3 -0.573 12.0-143.3 -90.5 158.5 8.7 1.1 4.9 79 90 A T E +c 32 0A 48 -48,-0.2 2,-0.3 -2,-0.2 -46,-0.2 -0.905 21.3 168.3-123.9 154.1 7.9 -2.6 4.6 80 91 A S E -c 33 0A 21 -48,-1.7 -46,-1.5 -2,-0.3 3,-0.1 -0.978 33.5-153.4-161.3 149.5 5.1 -4.7 5.9 81 92 A T S S+ 0 0 71 -2,-0.3 2,-0.4 -48,-0.2 -48,-0.1 0.156 86.5 71.4-108.4 15.6 3.6 -8.2 5.6 82 93 A D + 0 0 78 1,-0.1 3,-0.4 2,-0.0 -1,-0.2 -0.815 52.8 179.9-137.6 96.5 0.2 -6.9 6.6 83 94 A A S >> S+ 0 0 22 -2,-0.4 4,-2.5 1,-0.2 3,-2.4 0.916 82.8 58.7 -59.7 -48.5 -1.8 -4.7 4.2 84 95 A A T 34 S+ 0 0 9 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.840 103.7 52.7 -51.9 -38.0 -4.8 -4.3 6.5 85 96 A S T 34 S+ 0 0 81 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.334 116.2 40.1 -83.1 8.1 -2.6 -2.8 9.2 86 97 A V T X4 S+ 0 0 22 -3,-2.4 3,-1.0 -4,-0.1 -2,-0.2 0.663 104.9 58.3-121.8 -37.6 -1.2 -0.2 6.8 87 98 A V T 3< S+ 0 0 0 -4,-2.5 29,-0.7 1,-0.2 3,-0.5 0.409 75.5 96.2 -78.4 3.1 -4.1 1.0 4.6 88 99 A H T 3 S+ 0 0 139 -4,-0.3 28,-0.4 1,-0.3 2,-0.3 0.863 105.0 16.4 -59.6 -32.5 -6.1 2.1 7.6 89 100 A S S < S+ 0 0 85 -3,-1.0 -1,-0.3 26,-0.1 2,-0.3 -0.835 91.7 123.7-144.8 101.1 -4.6 5.5 6.8 90 101 A T - 0 0 3 -3,-0.5 -83,-0.2 -2,-0.3 3,-0.1 -0.982 52.4-137.8-154.1 152.0 -3.0 6.0 3.3 91 102 A D S S+ 0 0 32 -85,-1.8 29,-1.3 -2,-0.3 2,-0.3 0.834 87.4 6.0 -83.7 -31.9 -3.5 8.4 0.5 92 103 A L E -bd 7 120A 0 -86,-1.4 -84,-3.5 27,-0.2 2,-0.5 -0.995 55.1-152.0-154.6 145.1 -3.3 5.8 -2.2 93 104 A V E -bd 8 121A 0 27,-2.8 29,-3.1 -2,-0.3 2,-0.7 -0.967 11.8-167.2-119.4 115.5 -3.0 2.1 -2.7 94 105 A V E -bd 9 122A 0 -86,-3.0 -84,-1.7 -2,-0.5 2,-0.3 -0.893 13.4-151.1-105.2 107.3 -1.2 0.9 -5.9 95 106 A E E +bd 10 123A 0 27,-3.6 29,-2.0 -2,-0.7 -84,-0.1 -0.618 25.7 164.0 -81.4 133.2 -1.8 -2.8 -6.4 96 107 A A + 0 0 19 -86,-2.7 -83,-0.5 -2,-0.3 -80,-0.4 -0.380 27.7 128.7-145.3 60.1 0.8 -4.8 -8.2 97 108 A I - 0 0 40 1,-0.3 3,-0.2 -85,-0.1 7,-0.1 -0.600 65.8 -38.8-111.1 174.7 0.2 -8.5 -7.5 98 109 A V - 0 0 69 -2,-0.2 2,-1.7 1,-0.2 -1,-0.3 0.168 65.7-105.7 -31.4 138.3 -0.1 -11.6 -9.7 99 110 A E S S+ 0 0 17 -3,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.584 78.4 119.7 -75.0 89.6 -2.0 -11.0 -13.0 100 111 A N > - 0 0 67 -2,-1.7 4,-2.1 -3,-0.2 5,-0.2 -0.876 55.0-149.6-156.8 120.0 -5.2 -12.8 -12.0 101 112 A L H > S+ 0 0 61 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.965 96.5 50.3 -56.5 -58.3 -8.7 -11.2 -11.7 102 113 A K H > S+ 0 0 179 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 112.8 46.2 -47.8 -51.3 -10.0 -13.4 -8.9 103 114 A V H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 113.9 48.1 -60.8 -42.3 -7.1 -12.9 -6.7 104 115 A K H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.880 110.6 51.2 -66.3 -40.6 -7.0 -9.1 -7.3 105 116 A N H X S+ 0 0 41 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.929 108.8 50.7 -63.1 -46.4 -10.8 -8.7 -6.6 106 117 A E H X S+ 0 0 142 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.913 109.4 52.2 -58.1 -42.9 -10.6 -10.6 -3.4 107 118 A L H X S+ 0 0 35 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.878 113.6 42.3 -63.1 -39.5 -7.7 -8.3 -2.2 108 119 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.806 108.5 57.2 -79.2 -29.0 -9.7 -5.2 -3.0 109 120 A K H X S+ 0 0 116 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.878 113.5 44.7 -65.8 -33.5 -12.9 -6.4 -1.5 110 121 A R H >< S+ 0 0 125 -4,-1.7 3,-1.0 -5,-0.2 4,-0.2 0.957 114.5 43.4 -73.7 -55.3 -10.9 -6.9 1.7 111 122 A L H >X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-2.0 0.790 100.4 72.6 -63.6 -28.0 -9.0 -3.7 1.8 112 123 A D H 3< S+ 0 0 20 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 97.4 50.1 -55.1 -35.9 -12.1 -1.7 0.9 113 124 A K T << S+ 0 0 147 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.525 116.6 40.1 -83.1 -3.4 -13.3 -2.4 4.3 114 125 A F T <4 S+ 0 0 89 -3,-2.0 -2,-0.2 -4,-0.2 -1,-0.1 0.809 93.3 85.2-107.6 -49.0 -10.1 -1.2 6.1 115 126 A A S < S- 0 0 10 -4,-2.5 -27,-0.2 1,-0.1 -26,-0.1 -0.181 84.2-101.5 -60.1 148.0 -8.9 1.9 4.2 116 127 A A - 0 0 34 -29,-0.7 3,-0.5 -28,-0.4 -1,-0.1 -0.106 36.5-105.2 -61.3 165.4 -10.2 5.3 5.1 117 128 A E S S+ 0 0 151 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.942 115.7 53.9 -62.0 -50.7 -12.8 6.9 2.8 118 129 A H S S+ 0 0 74 2,-0.1 -1,-0.2 -26,-0.0 -116,-0.1 0.710 84.7 112.9 -59.2 -22.3 -10.6 9.4 1.0 119 130 A T - 0 0 0 -3,-0.5 2,-0.4 -32,-0.1 -27,-0.2 -0.176 60.0-140.7 -55.4 142.5 -8.1 6.7 0.0 120 131 A I E -d 92 0A 3 -29,-1.3 -27,-2.8 -30,-0.1 2,-0.5 -0.882 6.1-147.0-110.0 137.7 -7.8 5.8 -3.7 121 132 A F E -de 93 143A 0 21,-2.0 23,-2.2 -2,-0.4 2,-0.4 -0.901 18.8-178.1-106.4 127.4 -7.4 2.3 -5.0 122 133 A A E -de 94 144A 0 -29,-3.1 -27,-3.6 -2,-0.5 2,-0.4 -0.981 15.1-153.2-133.1 133.7 -5.3 1.7 -8.2 123 134 A S E -de 95 145A 1 21,-1.8 23,-2.3 -2,-0.4 -27,-0.1 -0.852 6.8-162.0-103.3 134.5 -4.5 -1.4 -10.2 124 135 A N + 0 0 11 -29,-2.0 24,-0.2 -2,-0.4 23,-0.1 -0.102 40.0 154.9-100.6 30.8 -1.3 -1.7 -12.2 125 136 A T - 0 0 2 1,-0.1 5,-0.1 22,-0.1 -27,-0.1 -0.225 39.0-152.3 -61.1 150.9 -2.9 -4.6 -14.2 126 137 A S S S+ 0 0 27 21,-0.1 71,-0.1 71,-0.1 -1,-0.1 0.766 86.6 7.4 -93.6 -32.5 -1.6 -5.3 -17.7 127 138 A S S S+ 0 0 4 65,-0.1 2,-0.3 66,-0.1 67,-0.1 0.263 98.0 103.6-140.0 16.4 -4.7 -6.9 -19.2 128 139 A L S S- 0 0 24 64,-0.1 2,-0.7 63,-0.1 65,-0.2 -0.712 72.5-102.2-107.8 158.2 -7.8 -6.7 -16.9 129 140 A Q >> - 0 0 88 -2,-0.3 4,-1.9 1,-0.2 3,-0.8 -0.612 20.8-153.7 -75.9 113.4 -10.9 -4.5 -16.9 130 141 A I H 3> S+ 0 0 0 -2,-0.7 4,-3.6 1,-0.3 5,-0.2 0.918 98.5 58.5 -50.9 -42.6 -10.4 -1.9 -14.2 131 142 A T H 3> S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.863 104.1 50.5 -54.8 -39.2 -14.2 -1.8 -14.0 132 143 A S H <4 S+ 0 0 40 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.880 115.0 41.4 -69.1 -39.3 -14.2 -5.5 -13.2 133 144 A I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.909 115.0 52.6 -73.4 -42.3 -11.7 -5.1 -10.4 134 145 A A H >< S+ 0 0 0 -4,-3.6 3,-2.2 1,-0.3 5,-0.4 0.869 97.3 64.0 -62.1 -40.1 -13.3 -1.9 -9.2 135 146 A N T 3< S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.343 86.1 76.2 -70.0 11.6 -16.8 -3.4 -8.9 136 147 A A T < S+ 0 0 19 -3,-1.4 -1,-0.3 -5,-0.1 2,-0.2 0.451 100.7 43.3 -95.8 -4.8 -15.3 -5.7 -6.2 137 148 A T S < S- 0 0 6 -3,-2.2 3,-0.2 -4,-0.1 -28,-0.1 -0.672 80.8-123.9-127.3-178.5 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46 B Q S S+ 0 0 149 -2,-0.3 2,-0.3 4,-0.1 46,-0.1 0.736 99.6 20.0 -51.2 -37.7 10.8 5.7 -64.9 328 47 B T S > S- 0 0 62 1,-0.1 4,-1.7 44,-0.1 5,-0.1 -0.927 71.4-118.5-137.1 162.7 11.6 9.2 -65.9 329 48 B E H > S+ 0 0 161 -2,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.817 114.2 54.8 -67.3 -31.9 14.6 11.6 -65.9 330 49 B D H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.962 105.5 51.6 -64.6 -51.9 12.8 14.0 -63.5 331 50 B I H > S+ 0 0 72 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.890 110.2 49.1 -51.9 -44.0 12.2 11.2 -61.0 332 51 B L H X S+ 0 0 5 -4,-1.7 4,-3.1 1,-0.2 -1,-0.3 0.861 108.3 55.8 -64.7 -35.1 15.8 10.3 -61.0 333 52 B A H X S+ 0 0 54 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.914 108.8 44.9 -63.9 -45.5 16.7 14.0 -60.6 334 53 B K H X S+ 0 0 149 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.922 114.3 51.5 -64.5 -43.1 14.6 14.3 -57.4 335 54 B S H X S+ 0 0 13 -4,-2.4 4,-2.7 -5,-0.2 3,-0.4 0.981 110.4 45.7 -55.9 -62.1 16.1 11.0 -56.2 336 55 B K H X S+ 0 0 54 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.878 112.9 53.0 -48.8 -41.5 19.7 12.1 -56.7 337 56 B K H X S+ 0 0 120 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.3 0.914 109.6 48.5 -61.3 -43.0 18.8 15.4 -55.1 338 57 B G H X S+ 0 0 32 -4,-2.7 4,-2.6 -3,-0.4 -2,-0.2 0.892 109.3 51.1 -64.6 -41.8 17.4 13.5 -52.1 339 58 B I H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.878 110.7 50.6 -63.5 -37.0 20.5 11.3 -51.8 340 59 B E H X S+ 0 0 85 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.957 110.6 47.1 -65.7 -49.6 22.6 14.4 -51.8 341 60 B E H X S+ 0 0 105 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.907 115.6 47.5 -57.1 -41.0 20.5 16.1 -49.1 342 61 B S H X S+ 0 0 34 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.885 106.6 57.0 -67.8 -40.1 20.7 12.8 -47.1 343 62 B L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.848 106.2 50.2 -61.5 -34.8 24.5 12.5 -47.7 344 63 B R H X S+ 0 0 79 -4,-1.8 4,-3.6 2,-0.3 5,-0.3 0.893 103.1 55.9 -73.4 -39.6 25.1 15.9 -46.1 345 64 B K H X S+ 0 0 125 -4,-1.5 4,-0.9 1,-0.3 -1,-0.2 0.910 112.9 46.7 -56.8 -36.3 23.1 15.2 -43.0 346 65 B V H X S+ 0 0 45 -4,-1.6 4,-1.5 2,-0.2 5,-0.3 0.826 111.8 50.3 -71.4 -34.4 25.4 12.3 -42.7 347 66 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0.911 111.5 50.7 -51.4 -44.2 -1.7 -1.3 -47.9 541 260 B F H X S+ 0 0 72 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.923 107.9 52.9 -62.0 -42.7 -0.2 -3.4 -50.7 542 261 B I H X S+ 0 0 6 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.931 114.2 41.7 -57.2 -47.7 1.6 -5.6 -48.3 543 262 B V H X S+ 0 0 2 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.918 110.6 54.1 -69.2 -46.1 -1.6 -6.3 -46.4 544 263 B D H X S+ 0 0 48 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.925 107.1 54.0 -55.2 -42.9 -3.8 -6.8 -49.4 545 264 B G H X S+ 0 0 34 -4,-2.3 4,-0.9 -5,-0.2 3,-0.3 0.945 114.6 39.4 -55.3 -50.3 -1.4 -9.4 -50.7 546 265 B W H X S+ 0 0 6 -4,-1.6 4,-0.9 1,-0.2 3,-0.4 0.850 109.4 60.9 -68.2 -37.1 -1.5 -11.3 -47.4 547 266 B H H < S+ 0 0 48 -4,-3.5 3,-0.2 1,-0.2 -1,-0.2 0.828 105.3 49.1 -60.3 -32.2 -5.3 -10.8 -47.0 548 267 B E H < S+ 0 0 171 -4,-1.8 3,-0.4 -3,-0.3 -1,-0.2 0.747 105.6 55.9 -80.1 -23.9 -5.8 -12.6 -50.3 549 268 B M H < S+ 0 0 119 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.629 132.1 9.6 -81.3 -12.4 -3.6 -15.6 -49.4 550 269 B D >< - 0 0 72 -4,-0.9 3,-1.1 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0.0 4,-2.6 0, 0.0 5,-0.2 0.937 100.7 47.8 -60.9 -46.5 -11.0 1.4 -43.9 561 280 B S H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.893 114.5 45.6 -62.1 -43.4 -8.9 4.3 -42.7 562 281 B L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 113.6 48.6 -67.2 -47.3 -5.8 3.1 -44.4 563 282 B N H X S+ 0 0 49 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.922 111.0 51.6 -59.3 -42.6 -7.6 2.2 -47.7 564 283 B K H X S+ 0 0 136 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.848 109.2 49.1 -64.8 -35.0 -9.2 5.7 -47.7 565 284 B L H <>S+ 0 0 23 -4,-1.6 5,-2.7 2,-0.2 -1,-0.2 0.918 111.8 49.3 -70.0 -41.9 -6.0 7.6 -47.2 566 285 B V H ><5S+ 0 0 18 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.949 109.4 52.0 -60.2 -48.2 -4.3 5.6 -50.0 567 286 B A H 3<5S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.3 51.1 -57.3 -34.7 -7.3 6.3 -52.4 568 287 B E T 3<5S- 0 0 87 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.249 120.5-112.9 -87.7 12.8 -6.9 10.0 -51.6 569 288 B N T < 5S+ 0 0 112 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.858 72.2 138.4 57.7 41.6 -3.2 9.7 -52.5 570 289 B K < + 0 0 51 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