==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/SUBSTRATE 29-JAN-13 4IZD . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RUEGERIA POMEROYI; . AUTHOR D.TAN,L.TONG . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.5 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 . 2 0.4 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 . 21 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 0 2 8 1 2 2 1 0 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 2 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 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 T >> 0 0 92 0, 0.0 4,-2.5 0, 0.0 3,-2.3 0.000 360.0 360.0 360.0 141.6 131.4 19.6 29.4 2 3 A Q H 3> + 0 0 128 1,-0.3 4,-1.9 2,-0.2 0, 0.0 0.759 360.0 70.3 -56.1 -26.3 130.4 16.2 28.0 3 4 A D H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.2 49,-0.0 0.720 114.1 26.1 -65.9 -19.0 127.3 16.2 30.3 4 5 A V H <4 S+ 0 0 2 -3,-2.3 -2,-0.2 49,-0.0 -1,-0.2 0.775 128.1 41.3-108.9 -41.4 126.0 19.0 28.1 5 6 A T H < S+ 0 0 43 -4,-2.5 3,-0.4 8,-0.1 8,-0.4 0.654 96.5 77.8 -87.2 -19.4 127.6 18.4 24.7 6 7 A S < + 0 0 67 -4,-1.9 3,-0.1 -5,-0.2 6,-0.0 -0.597 69.5 57.1 -92.8 157.1 127.6 14.6 24.2 7 8 A G S S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.455 77.5 105.5 109.2 5.9 124.6 12.5 23.1 8 9 A Y + 0 0 33 -3,-0.4 -1,-0.3 3,-0.1 5,-0.1 -0.966 36.3 178.0-124.8 131.3 123.6 14.2 19.9 9 10 A S S S+ 0 0 103 -2,-0.4 -1,-0.1 28,-0.1 29,-0.1 0.779 88.4 35.5 -96.2 -34.0 124.2 12.8 16.3 10 11 A N S S+ 0 0 24 27,-0.1 16,-3.1 28,-0.1 2,-0.4 0.431 111.7 65.7-101.1 -1.7 122.6 15.6 14.3 11 12 A L E -A 25 0A 8 14,-0.2 2,-0.5 15,-0.1 14,-0.2 -0.948 65.9-151.5-120.7 142.6 123.6 18.5 16.5 12 13 A D E -A 24 0A 84 12,-2.7 12,-3.0 -2,-0.4 2,-0.4 -0.968 19.8-162.2-113.8 124.3 127.1 19.8 17.1 13 14 A L E -A 23 0A 18 -2,-0.5 2,-0.4 -8,-0.4 10,-0.2 -0.859 16.9-178.1-114.6 144.1 127.5 21.5 20.5 14 15 A D E -A 22 0A 71 8,-1.9 8,-3.0 -2,-0.4 2,-0.6 -0.910 13.1-157.4-139.5 106.1 130.2 23.8 21.9 15 16 A L E -A 21 0A 43 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.775 12.3-150.5 -89.3 118.8 129.8 25.0 25.5 16 17 A R > - 0 0 90 4,-3.2 3,-1.8 -2,-0.6 -2,-0.0 -0.414 28.0-105.7 -83.3 161.8 131.7 28.2 26.2 17 18 A D T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.675 117.1 56.5 -62.3 -20.6 133.2 29.1 29.5 18 19 A N T 3 S- 0 0 67 2,-0.1 -1,-0.3 36,-0.0 3,-0.1 0.252 123.9 -97.5 -96.6 14.5 130.4 31.6 30.4 19 20 A G S < S+ 0 0 14 -3,-1.8 36,-2.3 1,-0.3 37,-1.3 0.511 79.7 137.8 87.2 1.6 127.6 29.1 29.9 20 21 A V E - b 0 56A 0 35,-0.2 -4,-3.2 34,-0.2 2,-0.6 -0.728 38.4-158.6 -80.9 125.7 126.8 30.1 26.3 21 22 A C E -Ab 15 57A 0 35,-3.1 37,-2.2 -2,-0.5 2,-0.6 -0.923 8.1-146.9-111.0 123.2 126.2 26.9 24.3 22 23 A V E -Ab 14 58A 6 -8,-3.0 -8,-1.9 -2,-0.6 2,-0.7 -0.775 13.9-166.9 -86.0 120.8 126.5 27.0 20.5 23 24 A V E -Ab 13 59A 0 35,-2.6 37,-2.3 -2,-0.6 2,-0.6 -0.931 6.7-169.7-111.9 109.7 124.0 24.5 19.1 24 25 A T E -Ab 12 60A 23 -12,-3.0 -12,-2.7 -2,-0.7 37,-0.2 -0.890 23.4-131.7-108.1 118.7 124.8 23.8 15.5 25 26 A L E -Ab 11 61A 2 35,-2.9 37,-2.2 -2,-0.6 -14,-0.2 -0.499 29.0-161.6 -59.6 129.0 122.3 21.9 13.2 26 27 A N + 0 0 71 -16,-3.1 -1,-0.1 -2,-0.2 -15,-0.1 -0.319 57.9 94.4-124.5 58.0 124.8 19.5 11.6 27 28 A R > > + 0 0 37 35,-0.1 5,-2.9 -2,-0.1 3,-1.9 -0.472 39.1 156.3-132.2 56.2 123.4 17.9 8.4 28 29 A P G > 5 + 0 0 46 0, 0.0 3,-1.3 0, 0.0 36,-0.1 0.784 68.0 64.1 -56.1 -29.7 125.0 20.4 6.0 29 30 A D G 3 5S+ 0 0 107 1,-0.3 -2,-0.0 2,-0.1 34,-0.0 0.763 111.4 37.2 -68.2 -22.4 124.9 17.9 3.2 30 31 A K G X 5S- 0 0 110 -3,-1.9 3,-1.2 3,-0.1 -1,-0.3 0.141 120.6-106.4-113.1 20.1 121.1 18.0 3.4 31 32 A R T < 5 - 0 0 132 -3,-1.3 37,-2.6 1,-0.2 38,-0.2 0.843 69.5 -68.6 57.3 35.3 120.9 21.8 4.2 32 33 A N T 3 - 0 0 19 -2,-0.8 4,-2.3 35,-0.2 3,-0.4 -0.531 48.1 -92.8-100.4 173.2 114.1 14.7 10.3 36 37 A V H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 124.0 54.8 -55.9 -38.3 112.4 12.9 13.2 37 38 A A H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 109.1 46.7 -63.4 -40.7 115.8 12.0 14.8 38 39 A T H > S+ 0 0 4 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.931 110.4 53.0 -68.1 -43.4 117.0 15.6 14.8 39 40 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 107.8 51.7 -56.7 -45.2 113.7 16.8 16.2 40 41 A E H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.876 108.0 52.1 -62.0 -33.6 114.1 14.3 19.1 41 42 A E H X S+ 0 0 25 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.898 108.7 50.0 -69.1 -36.8 117.6 15.6 19.7 42 43 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.908 109.2 52.6 -65.9 -39.6 116.2 19.1 19.9 43 44 A V H X S+ 0 0 11 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.964 112.2 46.0 -59.0 -49.7 113.5 17.9 22.4 44 45 A T H X S+ 0 0 71 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.947 114.5 45.8 -59.3 -49.8 116.2 16.3 24.6 45 46 A F H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 3,-0.4 0.931 116.6 42.7 -61.3 -48.8 118.5 19.3 24.5 46 47 A F H < S+ 0 0 11 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.634 108.1 60.2 -77.2 -10.0 115.9 22.0 25.2 47 48 A S H < S+ 0 0 38 -4,-1.4 4,-0.2 -3,-0.4 -1,-0.2 0.797 119.9 26.9 -80.9 -28.9 114.2 19.9 27.9 48 49 A T H X S+ 0 0 43 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.592 91.2 94.3-111.4 -11.9 117.4 19.8 29.9 49 50 A A T <>S+ 0 0 1 -4,-1.9 5,-2.2 1,-0.2 4,-0.4 0.876 88.5 48.9 -51.0 -46.6 119.4 22.9 29.1 50 51 A H T >45S+ 0 0 65 -4,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.958 114.3 44.0 -60.6 -50.5 118.0 25.0 32.0 51 52 A R T 345S+ 0 0 139 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.767 110.0 57.8 -67.2 -23.2 118.6 22.3 34.6 52 53 A K T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.445 119.7-108.9 -85.1 -1.3 122.1 21.6 33.1 53 54 A G T < 5 + 0 0 44 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.552 58.8 160.0 89.1 7.5 123.1 25.2 33.7 54 55 A V < - 0 0 7 -5,-2.2 -1,-0.3 -6,-0.2 -34,-0.2 -0.488 21.9-165.7 -64.3 128.8 123.2 26.5 30.1 55 56 A R - 0 0 55 -36,-2.3 2,-0.3 1,-0.3 -35,-0.2 0.707 64.7 -11.3 -91.3 -25.6 122.9 30.3 30.3 56 57 A A E -b 20 0A 0 -37,-1.3 -35,-3.1 48,-0.1 2,-0.4 -0.940 62.1-134.9-168.8 154.1 122.1 31.1 26.7 57 58 A V E -bc 21 106A 0 48,-3.1 50,-3.1 -2,-0.3 2,-0.7 -0.964 1.5-158.2-122.3 135.5 122.1 29.3 23.4 58 59 A V E -bc 22 107A 0 -37,-2.2 -35,-2.6 -2,-0.4 2,-0.5 -0.956 21.7-160.9-108.6 112.0 123.4 30.5 20.0 59 60 A L E +bc 23 108A 0 48,-2.3 50,-3.0 -2,-0.7 2,-0.3 -0.834 21.2 155.1 -99.1 124.8 121.5 28.4 17.4 60 61 A T E -bc 24 109A 11 -37,-2.3 -35,-2.9 -2,-0.5 2,-0.4 -0.935 39.1-116.4-143.4 167.2 123.0 28.1 13.9 61 62 A G E -b 25 0A 8 48,-0.6 2,-0.2 -2,-0.3 -35,-0.1 -0.860 32.2-118.1-105.4 139.6 123.0 25.9 10.9 62 63 A A S S+ 0 0 18 -37,-2.2 3,-0.4 -2,-0.4 2,-0.2 -0.544 82.3 11.7 -71.8 139.2 126.3 24.3 9.7 63 64 A G S S- 0 0 40 -2,-0.2 -2,-0.1 1,-0.2 -34,-0.0 -0.524 116.7 -43.3 95.6-164.2 127.2 25.5 6.2 64 65 A D S S+ 0 0 104 -2,-0.2 2,-0.4 -36,-0.1 -1,-0.2 0.544 119.2 60.9 -86.6 -8.3 125.7 28.4 4.1 65 66 A H - 0 0 56 -3,-0.4 47,-0.2 47,-0.2 3,-0.2 -0.984 66.6-149.0-127.8 127.7 122.1 27.7 4.9 66 67 A F S S- 0 0 2 45,-2.6 2,-0.3 -2,-0.4 -4,-0.2 0.954 77.4 -25.3 -55.8 -60.8 120.4 27.8 8.3 67 68 A C B -g 114 0C 0 46,-2.2 48,-1.8 44,-0.2 51,-0.2 -0.823 40.6-155.1-165.2 123.5 117.7 25.1 7.7 68 69 A A - 0 0 45 -37,-2.6 2,-0.2 -2,-0.3 49,-0.2 0.347 55.3-116.0 -80.2 4.2 115.9 23.8 4.6 69 70 A G + 0 0 2 -37,-0.2 -35,-3.3 -38,-0.2 -1,-0.2 -0.604 64.5 1.8 103.0-160.2 112.9 22.7 6.5 70 71 A L B S-f 34 0B 38 -37,-0.2 2,-1.3 -2,-0.2 -35,-0.2 -0.406 82.5-101.7 -65.9 144.2 111.2 19.4 7.3 71 72 A D > - 0 0 17 -37,-2.3 4,-2.1 1,-0.2 -1,-0.1 -0.569 41.4-177.3 -72.8 96.7 113.1 16.5 5.7 72 73 A L H > S+ 0 0 73 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.688 78.0 59.4 -70.0 -20.1 110.8 15.8 2.7 73 74 A V H > S+ 0 0 85 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.920 109.0 42.5 -73.6 -46.6 112.9 12.8 1.6 74 75 A E H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 116.0 51.2 -64.3 -42.4 112.2 11.0 4.9 75 76 A H H X>S+ 0 0 47 -4,-2.1 4,-1.1 2,-0.2 5,-0.6 0.944 111.5 45.7 -59.1 -52.0 108.6 12.2 4.7 76 77 A W H ><5S+ 0 0 199 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.916 115.5 46.0 -60.7 -44.5 108.2 10.9 1.2 77 78 A K H 3<5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 107.6 57.9 -67.0 -36.7 109.8 7.5 1.9 78 79 A A H 3<5S- 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.734 87.6-154.4 -66.9 -21.9 107.9 7.1 5.1 79 80 A D T <<5 - 0 0 144 -4,-1.1 -3,-0.1 -3,-0.6 -2,-0.1 0.943 25.3-154.0 43.5 60.4 104.5 7.3 3.3 80 81 A R < - 0 0 47 -5,-0.6 2,-0.1 1,-0.1 -1,-0.1 -0.303 11.2-131.1 -70.6 144.8 102.9 8.5 6.5 81 82 A S > - 0 0 43 -3,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.471 36.9-100.6 -84.0 164.7 99.2 8.2 7.4 82 83 A A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.898 126.1 46.2 -55.5 -40.1 97.4 11.3 8.7 83 84 A D H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 109.0 54.0 -73.9 -32.5 97.8 10.0 12.3 84 85 A D H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.930 113.5 43.1 -63.0 -44.3 101.5 9.1 11.8 85 86 A F H X S+ 0 0 57 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.880 108.3 57.5 -71.1 -36.2 102.2 12.7 10.6 86 87 A M H X S+ 0 0 44 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.948 108.6 48.8 -56.7 -44.6 100.0 14.2 13.3 87 88 A H H X S+ 0 0 44 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.890 108.3 52.1 -63.5 -39.0 102.3 12.4 15.8 88 89 A V H >X S+ 0 0 20 -4,-1.8 4,-1.6 1,-0.2 3,-0.6 0.935 108.0 53.2 -62.4 -41.7 105.4 13.7 14.0 89 90 A C H 3X S+ 0 0 29 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.885 103.0 56.8 -61.7 -37.3 104.1 17.2 14.2 90 91 A L H 3X S+ 0 0 72 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.844 104.4 52.9 -64.0 -28.5 103.5 16.9 18.0 91 92 A R H - h 0 137C 17 -48,-1.8 3,-2.9 -2,-0.4 23,-0.2 -0.906 45.4 -33.2-128.0 148.8 112.5 28.2 4.9 116 117 A G T >> S+ 0 0 5 21,-2.5 4,-1.8 -2,-0.4 3,-1.2 -0.293 134.5 6.7 53.1-124.6 109.5 26.2 5.8 117 118 A G H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.721 130.2 63.8 -59.0 -20.1 110.2 24.1 8.9 118 119 A G H <> S+ 0 0 0 -3,-2.9 4,-2.3 -51,-0.2 -1,-0.3 0.849 101.8 47.6 -72.3 -36.0 113.4 26.1 9.1 119 120 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 18,-0.3 -2,-0.2 0.875 109.5 54.5 -71.3 -35.3 111.5 29.3 9.6 120 121 A A H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.940 110.4 46.6 -60.8 -44.2 109.4 27.4 12.2 121 122 A L H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.938 112.1 49.0 -61.5 -47.8 112.7 26.5 14.0 122 123 A A H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.875 108.2 55.8 -59.8 -37.0 114.1 30.1 13.7 123 124 A S H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.721 95.9 65.3 -68.6 -24.4 110.8 31.4 15.1 124 125 A A T << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.601 87.7 85.8 -74.4 -13.3 111.1 29.2 18.2 125 126 A A S < S- 0 0 5 -3,-1.2 -18,-0.1 -4,-0.4 3,-0.1 -0.486 80.6-133.3 -81.0 160.4 114.2 31.2 19.2 126 127 A H S S+ 0 0 40 -20,-1.2 2,-0.3 1,-0.2 -19,-0.2 0.909 89.5 29.6 -78.9 -44.6 113.7 34.4 21.2 127 128 A L E -d 107 0A 39 -21,-2.4 -19,-3.1 58,-0.1 2,-0.4 -0.903 66.7-161.8-119.1 146.7 116.1 36.5 19.1 128 129 A R E -d 108 0A 15 -2,-0.3 59,-2.0 -21,-0.2 58,-0.6 -0.994 1.9-168.0-128.3 133.6 117.1 36.2 15.4 129 130 A V E -de 109 187A 0 -21,-2.8 -19,-3.1 -2,-0.4 2,-0.3 -0.989 13.7-171.4-119.3 121.4 120.2 37.8 13.8 130 131 A M E - e 0 188A 0 57,-2.9 59,-2.4 -2,-0.5 2,-0.2 -0.805 5.4-154.7-114.1 156.8 120.2 37.7 10.0 131 132 A D > - 0 0 17 -2,-0.3 3,-1.1 -21,-0.2 45,-0.3 -0.534 42.0 -81.9-117.5-174.0 123.0 38.6 7.5 132 133 A Q T 3 S+ 0 0 98 57,-0.4 -21,-0.1 59,-0.3 58,-0.1 0.552 127.0 50.7 -68.8 -8.1 123.1 39.8 3.9 133 134 A S T 3 S+ 0 0 59 -23,-0.2 -1,-0.2 42,-0.0 2,-0.2 0.518 86.9 110.9-103.5 -10.4 122.6 36.3 2.6 134 135 A T < + 0 0 1 -3,-1.1 42,-0.9 -24,-0.2 2,-0.3 -0.439 38.6 171.6 -73.8 136.2 119.6 35.4 4.7 135 136 A Y E -hI 113 175C 82 -23,-2.3 -21,-1.9 -2,-0.2 2,-0.4 -0.986 17.7-146.2-144.0 152.9 116.1 34.9 3.3 136 137 A F E +hI 114 174C 0 38,-2.9 38,-2.2 -2,-0.3 2,-0.3 -0.936 27.5 143.3-123.4 139.6 112.8 33.7 4.6 137 138 A A E -h 115 0C 3 -23,-1.4 -21,-2.5 -2,-0.4 -18,-0.3 -0.982 43.3-142.0-167.4 161.4 110.0 31.8 2.9 138 139 A L > + 0 0 0 29,-0.4 3,-0.7 34,-0.3 33,-0.2 -0.731 38.0 159.8-128.0 74.4 107.3 29.1 3.4 139 140 A P G > + 0 0 42 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.523 51.6 83.1 -78.2 -9.0 107.6 27.5 -0.1 140 141 A E G > >S+ 0 0 16 1,-0.2 5,-2.0 2,-0.2 3,-1.7 0.794 75.4 73.6 -67.9 -28.0 106.0 24.1 0.7 141 142 A G G X 5S+ 0 0 23 -3,-0.7 3,-2.1 1,-0.3 -1,-0.2 0.868 88.1 60.7 -53.5 -38.4 102.5 25.5 0.2 142 143 A Q G < 5S+ 0 0 134 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.785 105.0 49.3 -62.5 -24.8 103.1 25.6 -3.5 143 144 A R G < 5S- 0 0 145 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 -0.023 129.5 -96.6-103.0 29.9 103.6 21.8 -3.4 144 145 A G T < 5S+ 0 0 72 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.493 81.4 133.5 73.6 8.2 100.4 21.3 -1.3 145 146 A I < - 0 0 62 -5,-2.0 2,-0.5 -6,-0.1 -1,-0.2 -0.741 48.7-143.7 -97.5 137.6 102.0 21.2 2.1 146 147 A F - 0 0 152 -2,-0.4 2,-0.1 -6,-0.1 22,-0.0 -0.855 31.1-118.3 -95.3 125.0 100.8 23.2 5.2 147 148 A T - 0 0 2 -2,-0.5 5,-0.3 -9,-0.1 3,-0.1 -0.416 36.9-174.6 -66.3 138.7 103.8 24.3 7.3 148 149 A G > + 0 0 30 1,-0.1 3,-1.4 -2,-0.1 -1,-0.1 -0.107 49.1 87.8-112.1-151.3 104.0 22.9 10.8 149 150 A G T 3 S- 0 0 1 1,-0.3 -1,-0.1 -60,-0.1 -2,-0.0 0.668 116.4 -71.2 68.3 12.8 106.2 23.4 13.9 150 151 A G T >> S+ 0 0 4 -3,-0.1 4,-3.1 3,-0.1 3,-0.8 0.689 92.7 138.1 78.3 16.0 104.0 26.3 15.0 151 152 A A H <>>S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 5,-0.7 0.897 70.8 58.3 -61.0 -37.7 105.1 28.7 12.3 152 153 A T H 345S+ 0 0 48 -5,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.790 114.5 39.1 -62.5 -24.7 101.5 29.8 11.9 153 154 A I H <>5S+ 0 0 96 -3,-0.8 4,-1.5 3,-0.1 -2,-0.2 0.922 124.0 34.4 -87.0 -55.9 101.5 30.7 15.6 154 155 A R H X5S+ 0 0 12 -4,-3.1 4,-2.1 2,-0.2 -3,-0.2 0.907 117.0 50.2 -72.6 -42.6 105.0 32.2 16.0 155 156 A V H X>S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.3 5,-0.6 0.880 107.9 56.6 -64.8 -34.2 105.4 33.9 12.6 156 157 A S H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 123.0 49.7 -49.6 -43.8 98.6 37.2 11.1 162 163 A Y H > S+ 0 0 171 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.832 110.1 48.0 -73.1 -29.9 97.9 38.6 7.6 163 164 A R H > S+ 0 0 119 -3,-0.5 4,-2.4 -4,-0.2 -1,-0.2 0.839 112.0 52.4 -76.2 -28.5 101.6 38.7 6.5 164 165 A M H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.940 109.9 47.1 -70.4 -43.3 102.0 35.2 7.8 165 166 A I H X S+ 0 0 72 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.904 110.6 53.8 -63.0 -40.5 98.9 34.0 5.7 166 167 A D H X S+ 0 0 42 -4,-1.9 4,-2.7 1,-0.2 6,-0.5 0.963 107.9 50.8 -59.0 -47.9 100.4 35.9 2.7 167 168 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -29,-0.4 0.910 116.1 38.4 -58.4 -44.7 103.7 34.0 3.1 168 169 A I H < S+ 0 0 25 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.867 118.0 49.9 -76.8 -32.6 102.2 30.5 3.2 169 170 A L H < S+ 0 0 128 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.880 127.6 20.7 -72.5 -36.4 99.5 31.3 0.6 170 171 A T H < S- 0 0 71 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.572 93.4-123.7-111.1 -13.1 101.8 32.8 -2.0 171 172 A G < - 0 0 14 -4,-1.9 -4,-0.2 -5,-0.4 -3,-0.1 0.626 45.9-179.2 76.9 12.2 105.3 31.5 -1.1 172 173 A R - 0 0 106 -6,-0.5 2,-0.4 -5,-0.2 -34,-0.3 -0.122 16.8-139.0 -50.0 134.5 106.4 35.1 -0.9 173 174 A V - 0 0 71 -36,-0.1 2,-0.4 -3,-0.1 -36,-0.2 -0.808 16.1-169.2-103.8 138.4 110.1 35.6 -0.1 174 175 A Y E +I 136 0C 6 -38,-2.2 -38,-2.9 -2,-0.4 2,-0.3 -0.974 16.9 149.9-123.7 143.3 111.6 38.2 2.2 175 176 A Q E >> +I 135 0C 116 -2,-0.4 4,-1.3 -40,-0.2 3,-0.6 -0.940 39.2 20.2-157.9 173.8 115.2 39.2 2.7 176 177 A G H >> S- 0 0 19 -42,-0.9 4,-1.7 -45,-0.3 3,-0.5 -0.097 117.6 -23.9 60.0-156.1 117.5 42.1 3.6 177 178 A Q H 3> S+ 0 0 102 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.835 135.3 64.3 -59.0 -33.9 116.4 45.1 5.5 178 179 A E H <> S+ 0 0 108 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.917 103.7 46.2 -57.1 -44.7 112.8 44.5 4.2 179 180 A A H S+ 0 0 0 -4,-1.3 5,-2.2 -3,-0.5 4,-1.1 0.911 112.9 49.2 -65.1 -43.7 112.7 41.2 6.2 180 181 A A H ><5S+ 0 0 14 -4,-1.7 3,-0.9 1,-0.2 5,-0.3 0.955 112.3 47.9 -61.6 -47.7 114.2 42.8 9.4 181 182 A D H 3<5S+ 0 0 120 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.9 59.5 -63.2 -28.1 111.7 45.7 9.2 182 183 A L H 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.781 122.2-104.7 -70.0 -28.0 108.8 43.2 8.7 183 184 A G T <<5S+ 0 0 26 -4,-1.1 -3,-0.2 -3,-0.9 3,-0.1 0.513 86.4 121.8 114.6 10.4 109.6 41.5 12.0 184 185 A L S - 0 0 49 1,-0.2 4,-1.9 -61,-0.1 -1,-0.2 -0.632 40.8-162.2 -80.1 121.6 128.9 37.8 10.6 193 194 A S H > S+ 0 0 2 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.852 94.9 56.7 -70.3 -30.2 125.5 36.9 12.1 194 195 A F H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 107.5 46.8 -64.1 -46.8 127.3 34.3 14.2 195 196 A D H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 113.4 47.6 -62.2 -39.6 129.6 37.0 15.7 196 197 A K H X S+ 0 0 56 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.916 110.8 52.4 -67.1 -42.1 126.7 39.4 16.4 197 198 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.898 109.3 50.2 -59.6 -39.5 124.7 36.5 18.0 198 199 A M H X S+ 0 0 12 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.880 107.7 52.6 -66.8 -37.5 127.7 35.7 20.3 199 200 A E H X S+ 0 0 113 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.953 113.5 44.1 -62.3 -47.9 128.0 39.3 21.3 200 201 A L H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 114.7 49.2 -61.8 -46.7 124.3 39.3 22.2 201 202 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.879 108.2 52.8 -62.8 -40.0 124.5 36.0 24.0 202 203 A D H X S+ 0 0 66 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.901 111.3 46.6 -64.3 -38.2 127.6 36.9 26.0 203 204 A K H >< S+ 0 0 152 -4,-1.8 3,-0.6 -5,-0.2 4,-0.3 0.929 114.0 48.3 -68.5 -43.7 125.8 40.0 27.3 204 205 A I H >< S+ 0 0 30 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.904 107.2 55.7 -62.3 -41.6 122.7 38.0 28.1 205 206 A A H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.742 99.0 62.6 -64.9 -20.9 124.7 35.3 29.9 206 207 A S T << S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.547 91.9 86.5 -82.0 -5.1 126.1 38.0 32.1 207 208 A N S < S- 0 0 64 -3,-1.8 -3,-0.0 -4,-0.3 3,-0.0 -0.342 97.1 -70.9 -88.5 174.6 122.7 38.7 33.5 208 209 A L > - 0 0 22 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.450 35.5-134.8 -71.1 133.6 120.9 37.0 36.3 209 210 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.877 104.4 45.8 -49.5 -47.8 119.7 33.4 35.7 210 211 A L H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 111.1 51.3 -68.0 -41.3 116.3 33.9 37.2 211 212 A T H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.952 113.6 44.7 -62.2 -48.1 115.6 37.2 35.4 212 213 A N H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.891 110.8 56.2 -61.7 -39.7 116.5 35.7 32.0 213 214 A F H < S+ 0 0 18 -4,-2.2 5,-0.3 -5,-0.3 -2,-0.2 0.939 110.2 43.7 -58.1 -46.9 114.4 32.6 33.0 214 215 A A H >X>S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 3,-1.5 0.924 113.2 51.2 -64.9 -45.0 111.3 34.8 33.6 215 216 A I H 3<5S+ 0 0 90 -4,-2.5 4,-0.5 1,-0.3 5,-0.3 0.909 112.2 48.3 -59.2 -41.0 111.9 36.9 30.5 216 217 A C T 3<5S+ 0 0 8 -4,-2.6 -113,-1.6 -113,-0.2 -1,-0.3 0.080 128.0 17.7 -93.1 25.8 112.2 33.7 28.4 217 218 A S T <>5S+ 0 0 11 -3,-1.5 4,-1.8 -115,-0.2 -3,-0.2 0.323 116.3 56.8-152.1 -46.7 109.1 31.9 29.6 218 219 A A H X5S+ 0 0 14 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.844 102.1 55.2 -67.1 -36.9 106.6 34.3 31.3 219 220 A I H > S+ 0 0 27 -5,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.921 113.9 49.5 -63.0 -41.9 105.1 34.0 26.0 221 222 A H H >< S+ 0 0 94 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.921 109.7 50.6 -62.8 -42.2 102.8 32.6 28.6 222 223 A M H >< S+ 0 0 22 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.824 101.1 61.6 -67.5 -27.9 101.2 36.0 29.4 223 224 A Q H 3< S+ 0 0 151 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.726 97.6 60.6 -70.3 -16.4 100.6 36.7 25.7 224 225 A N T << S+ 0 0 113 -3,-1.2 -1,-0.3 -4,-0.6 2,-0.2 0.465 100.9 67.9 -86.3 -2.4 98.3 33.6 25.8 225 226 A M S < S- 0 0 78 -3,-1.5 2,-0.1 -4,-0.2 -3,-0.0 -0.681 97.9 -87.1-113.4 166.7 96.0 35.2 28.4 226 227 A S >> - 0 0 64 -2,-0.2 4,-2.8 1,-0.1 3,-1.1 -0.474 44.6-119.2 -64.5 143.9 93.6 38.1 28.6 227 228 A G H 3> S+ 0 0 57 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.803 112.9 60.6 -59.9 -25.3 95.6 41.2 29.5 228 229 A L H 3> S+ 0 0 151 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.796 111.5 36.7 -74.0 -26.8 93.5 41.5 32.6 229 230 A D H <> S+ 0 0 108 -3,-1.1 4,-1.9 2,-0.2 3,-0.3 0.806 111.9 59.4 -90.6 -33.4 94.5 38.1 34.0 230 231 A A H X S+ 0 0 12 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.862 98.2 62.2 -59.9 -34.7 98.1 38.4 32.6 231 232 A A H X S+ 0 0 57 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.928 104.1 46.6 -55.0 -47.9 98.4 41.5 34.8 232 233 A Y H X S+ 0 0 162 -4,-0.6 4,-1.3 -3,-0.3 3,-0.4 0.937 112.7 48.5 -62.1 -48.3 97.9 39.4 37.9 233 234 A A H X S+ 0 0 30 -4,-1.9 4,-2.2 1,-0.2 3,-0.4 0.918 108.0 56.3 -59.1 -40.8 100.4 36.7 36.9 234 235 A E H X S+ 0 0 122 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.832 100.3 58.7 -60.7 -34.6 102.9 39.4 36.0 235 236 A A H X S+ 0 0 65 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.2 0.890 108.4 45.1 -62.4 -39.1 102.7 40.8 39.6 236 237 A F H X S+ 0 0 127 -4,-1.3 4,-2.1 -3,-0.4 5,-0.2 0.888 112.4 50.6 -73.8 -36.8 103.8 37.4 40.9 237 238 A V H X S+ 0 0 49 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.950 113.8 45.5 -62.7 -46.6 106.5 37.1 38.4 238 239 A G H X S+ 0 0 23 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.887 108.7 57.9 -63.5 -38.1 107.8 40.5 39.3 239 240 A G H < S+ 0 0 38 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.912 113.9 36.7 -58.5 -45.3 107.5 39.7 43.0 240 241 A I H >< S+ 0 0 42 -4,-2.1 3,-0.8 2,-0.1 4,-0.3 0.948 121.2 43.8 -74.6 -49.5 109.8 36.7 42.8 241 242 A V H >< S+ 0 0 10 -4,-2.7 3,-1.1 -5,-0.2 6,-0.2 0.936 113.6 47.7 -61.9 -48.2 112.3 38.1 40.2 242 243 A N T 3< S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.420 109.7 50.9 -78.6 -1.2 112.7 41.6 41.7 243 244 A T T < S+ 0 0 109 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.242 76.9 124.7-117.8 10.9 113.3 40.6 45.3 244 245 A Q X> - 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q 0 391F 20 -48,-1.6 3,-2.6 -2,-0.4 23,-0.2 -0.936 45.1 -29.7-129.1 146.4 95.3 15.2 50.0 370 117 B G T >> S+ 0 0 6 21,-2.2 4,-1.6 -2,-0.4 3,-1.2 -0.400 135.2 3.8 59.3-126.6 97.0 18.4 49.0 371 118 B G H 3> S+ 0 0 6 1,-0.3 4,-2.4 -49,-0.2 -1,-0.3 0.709 130.1 67.0 -60.5 -19.8 99.5 17.6 46.2 372 119 B G H <> S+ 0 0 0 -3,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.862 101.9 44.4 -69.2 -35.7 98.1 14.1 46.5 373 120 B L H <> S+ 0 0 0 -3,-1.2 4,-2.6 18,-0.3 -2,-0.2 0.830 109.9 56.9 -75.1 -31.4 94.8 15.3 45.2 374 121 B A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.941 109.6 45.6 -63.5 -42.8 96.7 17.3 42.5 375 122 B L H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.933 113.2 48.2 -64.9 -46.1 98.3 14.0 41.4 376 123 B A H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.879 108.5 55.9 -61.5 -37.0 95.0 12.1 41.4 377 124 B S H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.748 96.1 65.2 -68.3 -23.9 93.4 15.0 39.5 378 125 B A T << S+ 0 0 2 -4,-1.1 -1,-0.2 -3,-0.7 2,-0.2 0.564 87.9 84.4 -75.1 -10.1 96.0 14.6 36.7 379 126 B A S < S- 0 0 5 -3,-1.3 -18,-0.1 -4,-0.4 3,-0.1 -0.554 82.4-130.1 -86.5 159.9 94.7 11.2 35.9 380 127 B H S S+ 0 0 41 -20,-1.0 2,-0.3 -2,-0.2 -19,-0.2 0.920 90.2 28.2 -76.2 -45.4 91.7 10.9 33.5 381 128 B L E -m 361 0D 38 -21,-2.4 -19,-3.1 58,-0.1 2,-0.4 -0.901 66.6-161.0-119.8 147.6 89.7 8.5 35.7 382 129 B R E -m 362 0D 15 -2,-0.3 59,-1.8 -21,-0.2 58,-0.6 -0.994 0.6-166.2-128.0 132.8 89.6 8.1 39.5 383 130 B V E -mn 363 441D 0 -21,-3.1 -19,-2.9 -2,-0.4 2,-0.3 -0.983 13.0-170.0-119.1 120.5 88.3 5.1 41.4 384 131 B M E - 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0 0 61 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.675 65.4-112.9-121.1 172.8 100.5 27.4 52.2 400 147 B F - 0 0 148 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 -0.633 34.4-113.3 -98.0 156.0 99.0 27.3 48.7 401 148 B T + 0 0 11 -2,-0.2 2,-0.3 -9,-0.1 -1,-0.2 -0.005 36.1 179.8 -75.2-172.9 98.3 24.2 46.7 402 149 B G > + 0 0 23 1,-0.1 3,-1.6 -32,-0.0 -1,-0.1 -0.889 47.1 84.8-166.9-165.3 100.1 23.3 43.5 403 150 B G T 3 S- 0 0 0 1,-0.3 -1,-0.1 -2,-0.3 -25,-0.0 0.718 119.7 -67.0 64.6 18.8 100.4 20.6 40.8 404 151 B G T >> S+ 0 0 3 3,-0.1 4,-2.7 4,-0.1 3,-1.1 0.676 93.5 141.3 76.7 15.3 97.5 22.4 39.0 405 152 B A H <>> + 0 0 1 -3,-1.6 4,-1.7 1,-0.3 5,-0.7 0.882 69.5 57.6 -58.7 -36.0 95.0 21.5 41.7 406 153 B T H 345S+ 0 0 50 3,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.785 115.6 37.2 -65.6 -24.2 93.4 24.9 41.3 407 154 B I H <>5S+ 0 0 98 -3,-1.1 4,-1.6 3,-0.1 -2,-0.2 0.923 123.9 36.0 -87.9 -60.5 92.8 24.1 37.6 408 155 B R H X5S+ 0 0 12 -4,-2.7 4,-2.1 2,-0.2 -3,-0.2 0.903 117.6 48.7 -65.2 -46.5 91.9 20.4 37.6 409 156 B V H X>S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.4 5,-0.6 0.899 109.7 54.1 -65.2 -34.2 89.9 20.3 40.9 410 157 B S H >X< - 0 0 33 -4,-1.7 4,-2.2 -5,-0.6 3,-0.7 0.127 36.9 -94.4 105.1 137.4 83.4 23.5 40.3 415 162 B K H 3> S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 123.2 50.1 -48.9 -46.1 85.5 26.6 40.9 416 163 B Y H 3> S+ 0 0 173 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.785 109.9 48.2 -71.1 -26.6 83.6 27.5 44.0 417 164 B R H <> S+ 0 0 117 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.820 111.0 52.4 -80.4 -30.1 83.8 24.1 45.7 418 165 B M H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.943 110.1 47.5 -68.4 -45.1 87.5 24.1 45.0 419 166 B I H X S+ 0 0 73 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.944 110.8 53.2 -59.5 -44.5 87.9 27.5 46.6 420 167 B D H X>S+ 0 0 40 -4,-1.8 4,-2.6 1,-0.2 6,-0.6 0.953 107.6 52.0 -54.7 -49.2 85.8 26.2 49.6 421 168 B M H X5S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -29,-0.4 0.913 117.4 34.6 -57.8 -46.8 88.1 23.2 49.9 422 169 B I H <5S+ 0 0 27 -4,-2.1 -27,-0.4 2,-0.2 -1,-0.2 0.870 118.9 52.4 -78.5 -31.9 91.4 25.1 50.1 423 170 B L H <5S+ 0 0 137 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.834 127.4 18.8 -72.2 -31.7 89.9 28.0 52.0 424 171 B T H <5S- 0 0 89 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.573 95.1-122.4-115.4 -14.0 88.3 25.9 54.8 425 172 B G << - 0 0 30 -4,-1.8 -4,-0.2 -5,-0.5 -3,-0.1 0.633 45.8-179.4 79.0 13.9 90.1 22.6 54.7 426 173 B R - 0 0 101 -6,-0.6 2,-0.4 -5,-0.2 -34,-0.4 -0.174 16.6-141.2 -52.7 132.3 86.8 20.9 54.1 427 174 B V - 0 0 74 -36,-0.1 2,-0.4 -34,-0.0 -36,-0.2 -0.817 14.9-168.1-103.1 137.2 87.0 17.1 53.8 428 175 B Y E +R 390 0F 1 -38,-2.3 -38,-3.3 -2,-0.4 2,-0.3 -0.951 16.7 151.6-122.8 143.8 85.0 14.9 51.4 429 176 B Q E >> +R 389 0F 113 -2,-0.4 4,-1.1 -40,-0.2 3,-0.6 -0.967 38.4 19.0-159.7 171.3 84.6 11.2 51.4 430 177 B G H >> S- 0 0 15 -42,-0.9 4,-1.8 -45,-0.3 3,-0.6 -0.125 116.5 -22.9 62.3-156.7 82.3 8.3 50.5 431 178 B Q H 3> S+ 0 0 104 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.823 135.1 62.8 -58.6 -33.8 79.4 8.7 48.1 432 179 B E H <> S+ 0 0 108 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.905 103.9 47.4 -59.6 -42.6 79.3 12.4 48.8 433 180 B A H S+ 0 0 0 -4,-1.1 5,-2.3 -3,-0.6 4,-1.0 0.914 112.6 48.9 -64.6 -43.9 82.8 12.8 47.3 434 181 B A H ><5S+ 0 0 14 -4,-1.8 3,-0.7 1,-0.2 5,-0.4 0.930 113.1 46.9 -61.5 -45.9 81.9 10.7 44.3 435 182 B D H 3<5S+ 0 0 120 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.798 105.7 59.9 -66.6 -30.3 78.8 12.7 43.7 436 183 B L H 3<5S- 0 0 28 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.745 122.9-103.9 -68.9 -24.9 80.7 16.0 44.1 437 184 B G T <<5S+ 0 0 27 -4,-1.0 -3,-0.2 -3,-0.7 3,-0.1 0.547 87.1 122.3 111.5 12.3 82.9 15.0 41.2 438 185 B L S - 0 0 48 1,-0.2 4,-1.8 -61,-0.1 -1,-0.2 -0.706 40.5-161.5 -85.1 122.6 89.0 -3.0 45.9 447 194 B S H > S+ 0 0 1 -2,-0.5 4,-2.9 -83,-0.2 5,-0.2 0.874 94.9 58.0 -70.2 -32.7 89.6 0.3 44.0 448 195 B F H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 106.3 46.5 -61.9 -46.1 92.6 -1.4 42.4 449 196 B D H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 113.7 48.3 -63.7 -39.5 90.6 -4.3 41.0 450 197 B K H X S+ 0 0 58 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.905 111.3 51.4 -66.4 -39.3 88.0 -1.9 39.7 451 198 B A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.903 108.8 50.9 -63.4 -40.4 90.7 0.3 38.1 452 199 B M H X S+ 0 0 14 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.880 108.3 52.0 -65.4 -36.9 92.3 -2.8 36.5 453 200 B E H X S+ 0 0 115 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.940 112.6 45.4 -62.4 -47.9 88.9 -3.8 35.0 454 201 B L H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.933 114.4 48.8 -59.0 -49.0 88.5 -0.3 33.6 455 202 B A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.877 107.8 53.2 -61.9 -41.7 92.1 -0.3 32.3 456 203 B D H X S+ 0 0 67 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.925 111.5 46.2 -62.7 -39.7 91.8 -3.7 30.6 457 204 B K H >< S+ 0 0 150 -4,-1.8 3,-0.9 -5,-0.2 4,-0.2 0.934 113.3 49.4 -67.5 -42.8 88.7 -2.6 28.7 458 205 B I H >< S+ 0 0 31 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.923 106.9 55.5 -61.2 -43.1 90.4 0.7 27.7 459 206 B A H 3< S+ 0 0 8 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.676 98.8 63.2 -64.5 -16.8 93.5 -1.1 26.5 460 207 B S T << S+ 0 0 75 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.495 91.7 83.6 -86.7 -2.5 91.3 -3.2 24.2 461 208 B N S < S- 0 0 60 -3,-2.1 -3,-0.0 -4,-0.2 3,-0.0 -0.356 98.3 -69.4 -91.7 177.9 90.3 -0.1 22.3 462 209 B L > - 0 0 26 1,-0.1 4,-2.5 -2,-0.1 5,-0.3 -0.442 35.3-136.3 -71.2 137.5 92.2 1.5 19.4 463 210 B P H > S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.922 103.8 47.5 -57.3 -47.5 95.5 3.3 20.4 464 211 B L H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 111.4 50.8 -61.8 -42.1 94.8 6.4 18.2 465 212 B T H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 112.9 45.1 -64.7 -43.9 91.2 6.8 19.5 466 213 B N H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.896 110.1 56.3 -66.3 -38.4 92.4 6.6 23.2 467 214 B F H < S+ 0 0 17 -4,-2.5 5,-0.4 -5,-0.3 -2,-0.2 0.941 110.0 44.7 -57.9 -47.2 95.2 9.0 22.4 468 215 B A H >X>S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 3,-1.6 0.937 113.0 50.1 -63.3 -47.0 92.7 11.6 21.0 469 216 B I H 3<5S+ 0 0 93 -4,-2.4 4,-0.5 1,-0.3 5,-0.2 0.897 113.1 47.7 -58.6 -39.8 90.3 11.1 23.9 470 217 B C T 3<5S+ 0 0 9 -4,-2.7 -113,-1.3 -113,-0.3 -1,-0.3 0.169 128.5 18.4 -91.4 16.5 93.1 11.5 26.4 471 218 B S T <>5S+ 0 0 11 -3,-1.6 4,-1.6 -114,-0.2 -3,-0.2 0.397 116.4 57.0-145.5 -44.6 94.7 14.6 25.0 472 219 B A H X5S+ 0 0 13 -4,-2.1 4,-2.6 -5,-0.4 -3,-0.2 0.838 101.9 54.8 -66.4 -37.4 92.3 16.5 22.6 473 220 B I H > S+ 0 0 25 -5,-0.2 4,-0.6 -120,-0.2 -1,-0.2 0.910 113.2 48.9 -62.6 -40.0 91.6 18.8 27.6 475 222 B H H >< S+ 0 0 94 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.936 108.8 52.5 -65.8 -43.3 93.1 21.0 24.9 476 223 B M H >< S+ 0 0 24 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.795 100.4 61.7 -65.1 -24.9 89.7 21.9 23.5 477 224 B Q H 3< S+ 0 0 150 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.726 97.2 60.7 -71.1 -18.8 88.4 22.9 27.0 478 225 B N T << S+ 0 0 108 -3,-1.5 -1,-0.2 -4,-0.6 2,-0.2 0.438 100.5 68.4 -85.1 -2.5 91.1 25.7 27.0 479 226 B M S < S- 0 0 80 -3,-1.2 2,-0.1 -4,-0.2 -3,-0.0 -0.707 97.2 -87.6-112.9 166.4 89.7 27.3 23.9 480 227 B S >> - 0 0 67 -2,-0.2 4,-2.7 1,-0.1 3,-0.9 -0.478 45.6-118.7 -63.7 144.3 86.5 29.3 23.0 481 228 B G H 3> S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.804 112.8 59.3 -59.5 -27.1 83.9 26.7 22.0 482 229 B L H 3> S+ 0 0 153 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.834 111.7 38.3 -72.5 -30.8 83.7 28.2 18.5 483 230 B D H <> S+ 0 0 108 -3,-0.9 4,-1.7 2,-0.2 3,-0.3 0.844 111.8 58.3 -85.6 -36.5 87.4 27.6 17.8 484 231 B A H X S+ 0 0 11 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.882 98.9 61.1 -59.5 -36.5 87.4 24.2 19.6 485 232 B A H X S+ 0 0 56 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.902 103.4 49.2 -57.5 -43.6 84.7 23.0 17.1 486 233 B Y H X S+ 0 0 165 -4,-0.6 4,-1.3 -3,-0.3 -1,-0.2 0.931 112.6 47.4 -62.3 -45.1 87.1 23.6 14.2 487 234 B A H X S+ 0 0 31 -4,-1.7 4,-2.2 1,-0.2 3,-0.4 0.923 107.5 56.6 -64.0 -39.4 89.8 21.7 16.0 488 235 B E H X S+ 0 0 124 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.863 101.2 58.4 -58.9 -35.7 87.4 18.9 16.9 489 236 B A H X S+ 0 0 64 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.886 107.8 45.4 -63.7 -39.2 86.6 18.4 13.2 490 237 B F H X S+ 0 0 124 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.888 111.8 51.3 -72.4 -37.3 90.3 17.7 12.4 491 238 B V H X S+ 0 0 47 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.957 114.5 44.1 -61.7 -49.0 90.6 15.3 15.4 492 239 B G H X S+ 0 0 23 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.883 108.3 59.0 -62.8 -38.0 87.5 13.5 14.1 493 240 B G H < S+ 0 0 39 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.919 113.9 36.6 -57.5 -45.1 88.8 13.6 10.6 494 241 B I H < S+ 0 0 44 -4,-2.0 3,-0.5 2,-0.1 4,-0.2 0.941 123.3 40.1 -74.2 -47.8 91.9 11.7 11.5 495 242 B V H >< S+ 0 0 12 -4,-2.7 3,-1.1 1,-0.2 -3,-0.2 0.921 114.0 51.6 -68.7 -44.9 90.5 9.3 14.1 496 243 B N T 3< S+ 0 0 113 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.529 111.3 45.7 -74.2 -8.6 87.2 8.4 12.4 497 244 B T T 3 S+ 0 0 105 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.256 78.9 129.7-115.2 8.6 88.8 7.5 9.1 498 245 B Q X> - 0 0 15 -3,-1.1 3,-1.8 -4,-0.2 4,-0.6 -0.428 65.1-126.0 -66.2 136.6 91.6 5.3 10.4 499 246 B P H >> S+ 0 0 105 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.839 106.1 63.7 -50.4 -39.4 91.7 1.9 8.7 500 247 B A H 34 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.736 98.1 55.6 -61.6 -23.5 91.6 0.1 12.0 501 248 B A H <> S+ 0 0 18 -3,-1.8 4,-2.1 1,-0.2 3,-0.4 0.720 87.8 77.7 -83.7 -19.0 88.1 1.4 12.8 502 249 B R H S+ 0 0 119 -4,-0.4 4,-1.1 -3,-0.4 -2,-0.2 0.845 110.8 53.2 -71.2 -34.9 84.2 -2.2 13.8 505 252 B L H X S+ 0 0 101 -4,-2.1 4,-2.0 1,-0.2 3,-0.2 0.866 108.5 51.0 -67.3 -35.4 82.1 0.0 11.6 506 253 B E H X S+ 0 0 124 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.900 100.7 62.4 -67.3 -39.3 81.4 -3.0 9.5 507 254 B A H <>S+ 0 0 23 -4,-1.8 6,-2.0 1,-0.2 5,-0.6 0.844 109.2 42.1 -53.8 -34.7 80.4 -4.9 12.7 508 255 B F H <5S+ 0 0 166 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.879 101.5 68.5 -79.8 -38.8 77.6 -2.4 13.0 509 256 B A H <5S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.870 117.8 22.5 -46.0 -42.8 76.7 -2.4 9.3 510 257 B N T <5S- 0 0 71 -4,-1.8 -3,-0.1 0, 0.0 -2,-0.0 0.539 108.6 -94.3 -93.0-117.3 75.5 -5.9 9.9 511 258 B K T 5S+ 0 0 198 2,-0.1 -3,-0.1 -5,-0.0 -4,-0.1 0.254 91.0 104.3-152.2 11.4 74.5 -7.0 13.4 512 259 B T < 0 0 114 -5,-0.6 -4,-0.2 -6,-0.2 -5,-0.1 0.800 360.0 360.0 -67.6 -27.9 77.5 -8.7 14.9 513 260 B A 0 0 97 -6,-2.0 -5,-0.2 -7,-0.1 -1,-0.2 0.952 360.0 360.0 -83.6 360.0 78.1 -5.6 17.0