==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-AUG-01 1JPM . COMPND 2 MOLECULE: L-ALA-D/L-GLU EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.M.GULICK,D.M.Z.SCHMIDT,J.A.GERLT,I.RAYMENT . 1434 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1010 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 11.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 74 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 452 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.8 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 8 4 0 0 0 1 15 0 0 16 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 11 9 4 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 . 11 0 12 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 8 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 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 M 0 0 28 0, 0.0 78,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.3 113.2 28.0 6.1 2 2 A K B -A 78 0A 110 76,-0.2 37,-2.6 77,-0.1 2,-0.4 -0.871 360.0-116.7-114.9 147.8 112.0 24.7 7.7 3 3 A I E +B 38 0B 1 74,-2.3 73,-2.9 71,-0.3 35,-0.2 -0.636 38.0 164.1 -78.1 129.4 111.0 21.4 6.2 4 4 A I E + 0 0 85 33,-2.8 2,-0.3 -2,-0.4 34,-0.2 0.548 59.4 25.3-123.3 -14.5 107.4 20.6 6.9 5 5 A R E -B 37 0B 124 32,-1.5 32,-2.8 2,-0.0 2,-0.4 -0.981 51.1-171.2-155.8 140.0 106.4 17.9 4.5 6 6 A I E +B 36 0B 3 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.969 16.5 172.1-135.4 117.3 108.1 15.1 2.6 7 7 A E E -B 35 0B 72 28,-2.6 28,-2.6 -2,-0.4 2,-0.3 -0.857 11.9-162.2-124.0 158.9 106.3 13.0 -0.1 8 8 A T E +B 34 0B 23 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.974 10.0 171.6-139.4 153.2 107.3 10.4 -2.7 9 9 A S E -B 33 0B 42 24,-1.8 24,-3.0 -2,-0.3 2,-0.4 -0.929 25.7-119.2-150.9 169.7 105.7 9.0 -5.8 10 10 A R E -B 32 0B 105 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.902 22.1-172.9-119.7 148.1 106.7 6.7 -8.7 11 11 A I E -B 31 0B 40 20,-2.1 20,-1.6 -2,-0.4 2,-0.4 -0.946 10.9-159.8-135.1 156.5 106.9 7.4 -12.4 12 12 A A E -B 30 0B 60 -2,-0.3 18,-0.2 18,-0.2 -2,-0.0 -0.903 8.7-171.3-140.4 105.8 107.5 5.2 -15.4 13 13 A V E -B 29 0B 3 16,-2.1 16,-3.3 -2,-0.4 -2,-0.0 -0.889 28.6-119.9-102.6 118.9 108.6 6.9 -18.6 14 14 A P E -B 28 0B 49 0, 0.0 315,-2.4 0, 0.0 316,-0.4 -0.314 28.2-127.0 -58.6 132.9 108.7 4.7 -21.7 15 15 A L E -D 328 0C 11 12,-3.1 313,-0.2 313,-0.2 312,-0.0 -0.450 4.2-135.8 -79.2 154.4 112.1 4.4 -23.2 16 16 A T E S+ 0 0 63 311,-2.2 312,-0.1 1,-0.3 -1,-0.1 0.627 103.0 32.0 -82.4 -14.7 112.7 5.1 -26.9 17 17 A K E S- 0 0 84 310,-0.4 -1,-0.3 10,-0.1 310,-0.0 -0.726 83.3-149.4-144.8 90.2 114.8 2.0 -26.9 18 18 A P E - 0 0 73 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.249 18.4-163.9 -59.6 146.8 113.9 -0.9 -24.6 19 19 A F E -B 26 0B 84 7,-1.4 7,-3.6 0, 0.0 2,-0.4 -0.825 14.3-111.7-128.9 169.1 116.8 -3.0 -23.3 20 20 A K E -B 25 0B 186 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.862 19.5-167.1-112.0 137.5 117.2 -6.4 -21.6 21 21 A T - 0 0 63 3,-3.3 3,-0.0 -2,-0.4 5,-0.0 -0.542 45.9 -94.0-105.0 175.7 118.4 -7.3 -18.1 22 22 A A S S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.700 125.3 30.9 -65.0 -18.9 119.4 -10.8 -17.0 23 23 A L S S- 0 0 97 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.577 126.7 -8.6-116.0 -13.5 115.8 -11.4 -15.8 24 24 A R - 0 0 136 2,-0.0 -3,-3.3 -3,-0.0 2,-0.5 -0.946 68.1 -86.5-165.4-175.6 113.6 -9.4 -18.1 25 25 A T E -B 20 0B 40 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.949 37.9-143.6-111.2 125.8 113.1 -6.9 -20.8 26 26 A V E +B 19 0B 7 -7,-3.6 -7,-1.4 -2,-0.5 3,-0.1 -0.803 29.9 161.5 -96.4 124.6 112.9 -3.2 -19.7 27 27 A Y E + 0 0 158 -2,-0.5 -12,-3.1 -9,-0.2 2,-0.3 0.639 62.4 46.3-110.2 -25.0 110.5 -0.9 -21.6 28 28 A T E S-B 14 0B 47 -14,-0.3 2,-0.8 -12,-0.0 -1,-0.1 -0.880 73.7-124.5-124.3 156.1 110.2 2.0 -19.1 29 29 A A E -B 13 0B 9 -16,-3.3 -16,-2.1 -2,-0.3 2,-0.2 -0.866 34.4-158.3 -97.4 107.4 112.5 4.1 -17.0 30 30 A E E +B 12 0B 65 -2,-0.8 2,-0.3 -18,-0.2 -18,-0.2 -0.584 18.3 164.1 -86.8 151.6 111.3 3.8 -13.4 31 31 A S E -B 11 0B 2 -20,-1.6 -20,-2.1 -2,-0.2 2,-0.6 -0.978 36.3-125.4-165.3 150.2 112.1 6.4 -10.7 32 32 A V E -BC 10 48B 0 16,-2.7 16,-1.4 -2,-0.3 2,-0.5 -0.895 28.2-152.6-100.9 123.0 111.1 7.5 -7.3 33 33 A I E -BC 9 47B 3 -24,-3.0 -24,-1.8 -2,-0.6 2,-0.4 -0.844 6.9-158.0-101.1 131.2 110.2 11.3 -7.2 34 34 A V E -BC 8 46B 0 12,-2.8 12,-1.9 -2,-0.5 2,-0.4 -0.879 7.5-171.3-110.3 138.8 110.7 13.2 -3.9 35 35 A R E -BC 7 45B 77 -28,-2.6 -28,-2.6 -2,-0.4 2,-0.5 -0.978 1.8-169.2-131.1 118.5 109.0 16.5 -3.0 36 36 A I E -BC 6 44B 0 8,-2.4 8,-3.4 -2,-0.4 2,-0.5 -0.934 8.9-155.9-109.0 125.7 110.0 18.4 0.1 37 37 A T E -BC 5 43B 16 -32,-2.8 -33,-2.8 -2,-0.5 -32,-1.5 -0.868 7.2-155.4-102.7 131.5 107.7 21.3 1.1 38 38 A Y E > -B 3 0B 1 4,-2.9 3,-2.8 -2,-0.5 -35,-0.2 -0.758 29.9-112.3-105.5 154.6 109.1 24.1 3.2 39 39 A D T 3 S+ 0 0 83 -37,-2.6 -36,-0.1 1,-0.3 721,-0.1 0.535 115.5 65.1 -60.6 -4.9 107.2 26.5 5.5 40 40 A S T 3 S- 0 0 6 -38,-0.3 -1,-0.3 719,-0.2 3,-0.1 0.550 121.0-105.2 -92.4 -12.0 108.0 29.2 3.1 41 41 A G S < S+ 0 0 53 -3,-2.8 -2,-0.1 1,-0.4 719,-0.1 0.156 78.1 136.4 105.1 -16.3 105.9 27.6 0.4 42 42 A A - 0 0 1 717,-0.3 -4,-2.9 -5,-0.1 2,-0.4 -0.276 41.7-151.7 -64.3 149.7 109.0 26.5 -1.5 43 43 A V E -C 37 0B 50 717,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.995 3.5-154.6-126.5 128.5 109.0 23.0 -2.9 44 44 A G E -C 36 0B 0 -8,-3.4 -8,-2.4 -2,-0.4 2,-0.4 -0.840 11.1-150.4-103.5 141.3 112.2 21.0 -3.4 45 45 A W E +C 35 0B 36 -2,-0.4 2,-0.3 60,-0.3 -10,-0.2 -0.871 17.7 168.9-116.7 147.0 112.5 18.2 -6.0 46 46 A G E -C 34 0B 0 -12,-1.9 -12,-2.8 -2,-0.4 2,-0.3 -0.988 12.7-158.1-149.5 155.4 114.6 15.0 -6.2 47 47 A E E +C 33 0B 1 -2,-0.3 -14,-0.2 -14,-0.2 58,-0.1 -0.985 9.0 177.0-137.7 148.4 114.8 11.9 -8.2 48 48 A A E -C 32 0B 0 -16,-1.4 -16,-2.7 -2,-0.3 14,-0.0 -0.863 8.6-165.6-153.2 113.1 116.2 8.4 -7.8 49 49 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -18,-0.2 -0.582 34.5-100.6 -92.6 161.5 116.0 5.4 -10.2 50 50 A P - 0 0 38 0, 0.0 8,-0.2 0, 0.0 248,-0.2 -0.565 33.7-179.4 -81.9 148.1 116.7 1.9 -9.2 51 51 A T B >> +E 57 0D 20 6,-2.2 5,-3.0 -2,-0.2 4,-2.5 -0.514 6.5 171.2-144.5 69.3 120.2 0.4 -10.1 52 52 A L T 45S+ 0 0 126 4,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.789 82.8 40.4 -50.7 -34.8 120.1 -3.1 -8.7 53 53 A V T 45S+ 0 0 144 4,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.803 123.8 35.3 -88.2 -31.4 123.4 -3.9 -10.5 54 54 A I T 45S+ 0 0 47 3,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.923 140.7 1.5 -89.7 -48.5 125.3 -0.6 -9.8 55 55 A T T <5S- 0 0 34 -4,-2.5 41,-0.2 2,-0.2 -3,-0.2 0.675 86.6-123.5-110.5 -27.9 124.2 0.5 -6.4 56 56 A G < + 0 0 44 -5,-3.0 2,-0.3 1,-0.3 -4,-0.3 0.414 64.8 139.2 94.3 0.6 121.8 -2.3 -5.3 57 57 A D B -E 51 0D 8 -6,-0.6 -6,-2.2 -8,-0.1 -1,-0.3 -0.616 30.1-173.2 -83.4 134.8 119.0 0.2 -4.7 58 58 A S > - 0 0 32 -2,-0.3 4,-2.8 -8,-0.2 5,-0.2 -0.708 41.1-100.7-117.6 171.9 115.5 -0.7 -5.8 59 59 A M H > S+ 0 0 13 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 124.1 44.6 -56.9 -47.2 112.3 1.3 -5.9 60 60 A D H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 113.4 47.8 -67.3 -42.0 111.1 -0.3 -2.7 61 61 A S H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 114.6 48.8 -66.2 -39.8 114.4 0.1 -0.8 62 62 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.948 114.6 42.7 -62.9 -51.5 114.6 3.7 -1.9 63 63 A E H X S+ 0 0 37 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.910 114.7 50.4 -63.6 -42.4 111.0 4.6 -0.9 64 64 A S H X S+ 0 0 58 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.908 108.7 52.5 -62.7 -41.7 111.3 2.7 2.4 65 65 A A H X>S+ 0 0 7 -4,-2.3 5,-2.2 -5,-0.2 4,-1.4 0.882 110.5 48.0 -62.6 -38.0 114.6 4.4 3.3 66 66 A I H <>S+ 0 0 0 -4,-1.8 5,-3.2 3,-0.2 -2,-0.2 0.916 118.3 38.4 -70.0 -42.6 113.0 7.9 2.7 67 67 A H H <5S+ 0 0 67 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.854 123.9 36.3 -78.0 -37.7 109.9 7.2 4.7 68 68 A H H <5S+ 0 0 140 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.732 134.5 10.2 -91.1 -22.4 111.3 5.2 7.6 69 69 A V T X5S+ 0 0 43 -4,-1.4 4,-0.9 -5,-0.4 -3,-0.2 0.749 126.9 38.2-120.6 -58.8 114.7 6.9 8.1 70 70 A L H >> -A 2 0A 45 -76,-0.2 3,-1.8 -2,-0.1 -76,-0.2 -0.801 5.9-140.0 -98.9 135.8 115.9 24.3 9.5 79 79 A L G > S+ 0 0 1 -78,-2.5 3,-0.7 -2,-0.4 -77,-0.1 0.549 97.8 79.7 -71.1 -6.0 118.2 24.7 6.5 80 80 A A G 3 S+ 0 0 18 1,-0.3 -1,-0.3 -79,-0.3 404,-0.2 0.600 94.9 51.8 -73.3 -9.6 120.1 27.4 8.4 81 81 A G G <> S+ 0 0 19 -3,-1.8 4,-1.3 1,-0.1 -1,-0.3 -0.514 70.2 146.9-123.3 60.6 121.6 24.2 9.9 82 82 A Y H <> + 0 0 11 -3,-0.7 4,-3.1 399,-0.4 5,-0.3 0.871 62.9 61.8 -64.5 -43.5 122.6 22.4 6.7 83 83 A E H > S+ 0 0 23 401,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.924 106.0 46.1 -51.7 -51.1 125.7 20.7 8.1 84 84 A A H > S+ 0 0 40 400,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.881 113.0 50.8 -62.4 -38.7 123.7 18.7 10.7 85 85 A I H X S+ 0 0 3 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.942 110.7 47.5 -64.4 -48.4 121.1 17.8 8.1 86 86 A L H X S+ 0 0 19 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.923 110.7 52.9 -59.7 -43.5 123.7 16.5 5.6 87 87 A H H X S+ 0 0 48 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.901 110.1 48.1 -58.9 -42.3 125.4 14.5 8.3 88 88 A D H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.903 109.3 52.2 -65.8 -42.5 122.2 12.8 9.2 89 89 A I H < S+ 0 0 0 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.907 117.0 39.0 -60.3 -42.2 121.3 12.0 5.6 90 90 A Q H < S+ 0 0 38 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.719 126.2 32.9 -82.4 -22.4 124.6 10.3 5.0 91 91 A H H < S+ 0 0 130 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.546 90.4 83.4-115.8 -7.8 125.0 8.6 8.4 92 92 A L S < S+ 0 0 78 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.1 0.719 110.9 9.0 -68.0 -18.7 121.6 7.5 9.7 93 93 A L S S- 0 0 30 -4,-0.2 2,-0.2 -5,-0.2 -1,-0.2 -0.982 80.5-113.1-156.8 153.8 121.9 4.4 7.5 94 94 A T S S- 0 0 135 -2,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 -0.524 79.4 -9.3 -88.1 157.4 124.6 2.7 5.4 95 95 A G S S+ 0 0 33 -2,-0.2 5,-0.1 1,-0.1 -2,-0.1 -0.220 74.5 120.0 55.7-144.0 124.4 2.4 1.6 96 96 A N > + 0 0 46 -41,-0.2 4,-2.0 1,-0.1 3,-0.2 0.879 35.1 162.4 53.9 38.3 121.1 3.5 0.2 97 97 A M H > + 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.830 65.9 55.0 -59.0 -36.3 123.0 6.1 -1.8 98 98 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 108.5 47.5 -66.0 -42.1 120.2 6.7 -4.3 99 99 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.928 113.4 48.7 -64.1 -43.1 117.7 7.5 -1.6 100 100 A K H X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.899 111.6 51.2 -62.0 -39.7 120.2 9.8 0.0 101 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 107.4 51.1 -63.8 -46.4 120.8 11.4 -3.4 102 102 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.901 113.6 44.8 -58.9 -43.8 117.1 12.0 -4.1 103 103 A V H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.859 110.4 54.6 -69.9 -36.0 116.6 13.7 -0.7 104 104 A E H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.896 104.5 55.7 -65.1 -37.1 119.8 15.7 -1.2 105 105 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -60,-0.3 0.957 111.3 41.5 -57.9 -52.6 118.5 17.0 -4.5 106 106 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 -62,-0.2 -1,-0.2 0.777 115.2 53.9 -65.7 -27.7 115.3 18.4 -3.0 107 107 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.922 111.4 41.7 -73.6 -47.7 117.3 19.7 -0.1 108 108 A Y H X S+ 0 0 8 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.799 110.6 60.6 -68.7 -28.1 119.8 21.6 -2.2 109 109 A D H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.968 110.7 39.4 -61.3 -51.0 116.9 22.7 -4.3 110 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.868 111.9 56.9 -66.2 -38.2 115.4 24.4 -1.2 111 111 A W H X S+ 0 0 22 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 109.1 46.0 -61.0 -42.8 118.7 25.7 0.1 112 112 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.4 0.888 112.8 50.5 -67.7 -38.9 119.3 27.5 -3.2 113 113 A Q H <5S+ 0 0 16 -4,-1.8 648,-0.5 1,-0.2 3,-0.3 0.853 107.1 54.9 -66.8 -33.5 115.7 28.9 -3.1 114 114 A M H <5S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.5 39.3 -69.4 -28.8 116.3 30.0 0.5 115 115 A C T <5S- 0 0 0 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.394 114.6-123.0 -98.5 -1.2 119.4 32.0 -0.6 116 116 A G T 5 + 0 0 4 -4,-0.4 -3,-0.2 -3,-0.3 -4,-0.1 0.898 67.4 111.5 62.5 49.6 117.5 33.1 -3.8 117 117 A L S > -f 351 0E 7 0, 0.0 4,-1.9 0, 0.0 3,-1.6 -0.482 47.6-117.4 -64.2 139.8 120.0 29.2 -9.3 119 119 A L H 3> S+ 0 0 0 232,-2.9 4,-2.0 230,-0.3 6,-0.2 0.877 112.9 55.8 -48.1 -46.6 121.6 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27,-0.1 -0.225 72.6 -54.9 -97.5-166.8 121.9 6.7 -14.3 298 298 A I S S+ 0 0 77 -248,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.657 87.3 147.6 -76.4 101.5 118.7 6.3 -16.4 299 299 A E - 0 0 7 -2,-1.2 29,-0.1 -250,-0.1 -268,-0.1 -0.920 46.2-115.1-137.3 161.4 116.9 9.4 -15.2 300 300 A T > - 0 0 3 -2,-0.3 4,-1.9 24,-0.1 5,-0.2 -0.128 53.9 -79.2 -82.2-174.3 114.5 12.1 -16.3 301 301 A K H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 36,-0.3 0.774 125.4 64.8 -59.7 -29.6 115.2 15.8 -16.7 302 302 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.990 106.7 38.3 -58.9 -61.4 114.8 16.3 -12.9 303 303 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.903 119.3 49.0 -56.2 -43.4 117.8 14.1 -11.9 304 304 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.890 107.8 55.0 -64.4 -39.2 119.8 15.4 -14.8 305 305 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.923 108.4 48.8 -60.8 -42.4 118.9 19.0 -13.9 306 306 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.936 114.3 44.9 -63.0 -45.3 120.3 18.4 -10.4 307 307 A A H X S+ 0 0 3 -4,-2.3 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0.927 140.0 4.8 -92.7 -55.1 155.2 32.1 9.2 415 55 B T T <5S- 0 0 33 -4,-2.1 -3,-0.2 2,-0.2 41,-0.2 0.744 87.0-126.8-101.1 -30.1 153.9 33.3 5.9 416 56 B G < + 0 0 43 -5,-3.1 -4,-0.3 1,-0.4 2,-0.2 0.334 63.9 136.2 97.1 -6.2 156.6 35.7 4.8 417 57 B D B -V 411 0L 7 -6,-0.5 -6,-2.0 -8,-0.1 -1,-0.4 -0.539 32.5-171.2 -78.7 141.0 153.9 38.4 4.2 418 58 B S > - 0 0 34 -8,-0.2 4,-2.7 -2,-0.2 5,-0.3 -0.793 41.3 -98.6-123.5 166.7 154.5 42.0 5.5 419 59 B M H > S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.932 124.4 47.3 -50.9 -48.9 152.3 45.0 5.7 420 60 B D H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 112.4 46.4 -62.6 -42.6 153.8 46.3 2.4 421 61 B S H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 112.8 51.3 -69.3 -38.7 153.6 43.1 0.5 422 62 B I H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.956 113.7 42.4 -61.7 -52.2 150.0 42.5 1.6 423 63 B E H X S+ 0 0 33 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.898 114.3 51.0 -63.8 -41.1 148.8 46.0 0.5 424 64 B S H X S+ 0 0 57 -4,-2.3 4,-3.1 -5,-0.2 5,-0.4 0.923 108.9 51.5 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219 B E E -cd 551 602O 0 -29,-3.0 -27,-2.0 -2,-0.5 -26,-0.4 -0.589 67.2 -24.0 -82.4 143.5 151.1 21.2 17.5 580 220 B Q + 0 0 0 22,-3.3 -26,-3.0 -2,-0.3 -25,-0.3 0.749 63.2 179.3 24.7 72.3 153.9 21.0 14.9 581 221 B P + 0 0 0 0, 0.0 -25,-2.3 0, 0.0 2,-0.2 0.854 63.9 39.0 -66.0 -32.9 156.7 19.4 17.0 582 222 B V S S- 0 0 0 -27,-0.2 -28,-0.2 1,-0.2 -25,-0.1 -0.545 106.0 -59.5-113.1 177.1 159.1 19.3 14.0 583 223 B H > - 0 0 95 -27,-0.4 3,-2.1 -2,-0.2 7,-0.2 -0.276 49.9-120.4 -56.8 134.9 160.1 21.5 11.0 584 224 B K T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -4,-0.1 6,-0.1 0.764 111.9 48.6 -48.0 -35.7 157.1 22.2 8.6 585 225 B D T 3 S+ 0 0 119 1,-0.2 2,-1.5 2,-0.1 -1,-0.3 0.566 88.7 89.5 -84.9 -9.5 158.9 20.5 5.7 586 226 B D <> + 0 0 56 -3,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.511 43.6 156.0 -90.1 70.4 159.8 17.4 7.6 587 227 B L H > S+ 0 0 41 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.904 74.0 52.7 -62.1 -43.9 156.7 15.2 7.0 588 228 B A H > S+ 0 0 79 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.886 112.2 47.8 -59.4 -37.9 158.5 11.9 7.5 589 229 B G H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.884 108.9 51.7 -70.5 -38.8 159.7 13.4 10.9 590 230 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.905 109.9 51.5 -63.4 -39.0 156.2 14.6 11.8 591 231 B K H X S+ 0 0 77 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.831 103.7 57.8 -66.4 -32.7 154.9 11.1 11.1 592 232 B K H X S+ 0 0 100 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.917 108.5 45.5 -64.8 -42.2 157.6 9.6 13.3 593 233 B V H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 3,-0.3 0.915 112.7 51.6 -66.7 -41.2 156.4 11.6 16.3 594 234 B T H < S+ 0 0 11 -4,-2.0 3,-0.5 27,-0.3 -2,-0.2 0.932 114.9 41.3 -60.8 -47.6 152.8 10.7 15.4 595 235 B D H < S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.595 114.3 51.8 -78.6 -12.0 153.5 7.0 15.3 596 236 B A H < S+ 0 0 25 -4,-1.1 2,-0.3 -3,-0.3 -1,-0.2 0.524 105.8 54.2-103.1 -6.7 155.8 6.9 18.3 597 237 B T < - 0 0 14 -4,-0.9 4,-0.1 -3,-0.5 -31,-0.1 -0.793 65.1-139.7-124.9 168.3 153.6 8.6 20.9 598 238 B D S S+ 0 0 149 -2,-0.3 -1,-0.1 -33,-0.1 -4,-0.1 0.477 79.6 94.2-100.6 -9.1 150.1 8.2 22.4 599 239 B T S S- 0 0 10 1,-0.1 -2,-0.2 -22,-0.0 -22,-0.1 -0.686 88.2-107.5 -85.0 132.8 149.5 12.0 22.4 600 240 B P - 0 0 39 0, 0.0 -22,-1.9 0, 0.0 2,-0.5 -0.353 30.0-142.8 -62.9 141.8 147.7 13.3 19.3 601 241 B I E -d 578 0O 0 -24,-0.2 23,-2.0 -4,-0.1 22,-1.9 -0.926 10.3-154.9-108.8 125.1 150.0 15.3 17.0 602 242 B M E -de 579 624O 0 -24,-2.4 -22,-3.3 -2,-0.5 2,-0.4 -0.875 7.9-141.5-106.2 123.3 148.5 18.3 15.2 603 243 B A E + e 0 625O 0 21,-2.8 23,-3.2 -2,-0.6 -24,-0.1 -0.633 36.1 150.1 -79.6 130.6 150.0 19.6 11.9 604 244 B D S > S+ 0 0 0 -2,-0.4 3,-3.0 21,-0.2 -1,-0.1 0.422 72.4 22.9-120.6 -92.0 150.0 23.4 11.7 605 245 B E T 3 S+ 0 0 6 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 0.737 115.6 68.7 -52.9 -24.1 152.8 25.0 9.6 606 246 B S T 3 S+ 0 0 7 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.706 101.7 52.3 -68.2 -18.6 153.0 21.7 7.7 607 247 B V < + 0 0 2 -3,-3.0 -1,-0.2 19,-0.2 25,-0.1 -0.889 51.2 134.2-127.5 106.3 149.6 22.4 6.2 608 248 B F S S+ 0 0 27 -2,-0.5 20,-0.2 1,-0.1 -1,-0.1 0.755 72.7 37.3-105.5 -49.5 148.7 25.7 4.6 609 249 B T S > S- 0 0 41 1,-0.1 4,-1.8 31,-0.0 5,-0.1 -0.541 82.6-111.4-105.7 165.9 146.9 24.5 1.5 610 250 B P H > S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.857 118.3 56.2 -65.3 -30.8 144.5 21.6 0.6 611 251 B R H > S+ 0 0 148 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.897 108.6 46.6 -66.5 -38.5 147.2 19.9 -1.5 612 252 B Q H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.830 111.1 53.3 -71.1 -29.7 149.5 19.9 1.6 613 253 B A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.922 106.4 52.4 -68.3 -43.5 146.5 18.6 3.6 614 254 B F H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.885 109.9 48.9 -59.0 -40.5 146.1 15.8 1.1 615 255 B E H X S+ 0 0 81 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.937 112.5 46.4 -66.0 -48.2 149.8 14.9 1.5 616 256 B V H X>S+ 0 0 2 -4,-2.2 5,-2.0 1,-0.2 4,-0.7 0.916 116.5 45.3 -59.9 -44.2 149.7 14.9 5.3 617 257 B L H <5S+ 0 0 14 -4,-2.9 3,-0.4 3,-0.2 -2,-0.2 0.905 111.4 52.1 -66.8 -43.5 146.4 12.8 5.3 618 258 B Q H <5S+ 0 0 51 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.1 39.4 -60.1 -42.5 147.7 10.4 2.6 619 259 B T H <5S- 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.532 104.8-130.7 -86.1 -6.8 150.9 9.6 4.5 620 260 B R T <5 + 0 0 167 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.871 53.2 153.1 57.2 40.4 149.0 9.7 7.9 621 261 B S < + 0 0 2 -5,-2.0 2,-0.3 -6,-0.2 -27,-0.3 0.476 58.4 28.5 -79.3 -4.1 151.7 12.0 9.2 622 262 B A - 0 0 9 -6,-0.4 -20,-0.2 1,-0.1 -1,-0.1 -0.994 59.0-142.9-156.3 152.3 149.4 13.7 11.8 623 263 B D S S+ 0 0 67 -22,-1.9 28,-0.4 -2,-0.3 2,-0.3 0.776 89.2 17.1 -84.7 -28.4 146.4 13.0 13.9 624 264 B L E -e 602 0O 18 -23,-2.0 -21,-2.8 26,-0.1 2,-0.4 -0.904 66.2-136.7-140.7 165.8 144.9 16.4 13.6 625 265 B I E -ef 603 652O 1 26,-1.3 28,-2.3 -2,-0.3 2,-0.6 -0.993 8.6-148.3-131.2 131.7 145.2 19.6 11.4 626 266 B N E - f 0 653O 0 -23,-3.2 2,-0.4 -2,-0.4 28,-0.2 -0.883 20.3-159.3 -99.5 120.7 145.2 23.2 12.6 627 267 B I E + f 0 654O 2 26,-3.7 28,-2.6 -2,-0.6 2,-0.3 -0.798 13.5 177.5-103.8 141.0 143.6 25.5 10.0 628 268 B K > - 0 0 14 -2,-0.4 4,-2.4 26,-0.2 3,-0.2 -0.994 30.3-137.1-141.4 134.6 144.2 29.3 9.7 629 269 B L H >>S+ 0 0 5 26,-0.4 5,-2.3 -2,-0.3 4,-1.2 0.891 104.8 57.4 -58.6 -41.1 142.7 31.6 7.1 630 270 B M H 45S+ 0 0 0 1,-0.2 -1,-0.2 3,-0.2 -169,-0.2 0.902 111.3 42.8 -56.7 -43.0 146.0 33.5 6.6 631 271 B K H 45S+ 0 0 2 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.7 45.5 -69.5 -45.8 147.7 30.2 5.7 632 272 B A H <5S- 0 0 3 -4,-2.4 5,-0.3 2,-0.1 -1,-0.2 0.545 110.5-119.6 -76.1 -6.9 144.9 28.8 3.5 633 273 B G T <5S- 0 0 0 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.792 74.8 -37.0 72.5 25.7 144.6 32.2 1.7 634 274 B G S > S+ 0 0 0 -2,-0.3 4,-3.4 2,-0.2 5,-0.3 0.871 119.0 62.7 -77.5 -41.2 137.9 30.4 3.6 636 276 B S H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 111.3 40.9 -51.9 -49.5 137.6 28.5 0.3 637 277 B G H > S+ 0 0 7 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.927 113.3 53.5 -64.5 -44.6 140.9 26.8 1.0 638 278 B A H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.902 108.1 51.3 -57.1 -43.0 140.0 26.3 4.7 639 279 B E H X S+ 0 0 51 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.891 108.8 50.4 -60.2 -44.1 136.8 24.6 3.7 640 280 B K H X S+ 0 0 61 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.889 109.2 51.7 -62.5 -42.0 138.6 22.2 1.3 641 281 B I H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.955 112.9 43.8 -61.4 -50.2 141.1 21.2 4.0 642 282 B N H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.885 113.2 50.4 -63.5 -41.0 138.5 20.4 6.6 643 283 B A H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.906 112.7 48.4 -63.2 -40.9 136.3 18.5 4.1 644 284 B M H X S+ 0 0 3 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.947 113.5 46.1 -62.5 -51.3 139.3 16.5 3.0 645 285 B A H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-1.7 0.931 108.4 56.8 -58.6 -48.0 140.3 15.8 6.6 646 286 B E H ><5S+ 0 0 48 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.883 102.2 54.7 -51.7 -45.2 136.7 14.8 7.6 647 287 B A H 3<5S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.690 110.7 47.4 -64.1 -19.0 136.6 12.1 4.8 648 288 B C T <<5S- 0 0 35 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.292 119.8-110.4-103.3 6.4 139.8 10.7 6.4 649 289 B G T < 5S+ 0 0 67 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.2 0.740 73.5 137.2 72.0 24.7 138.4 10.8 9.9 650 290 B V < - 0 0 18 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.910 44.0-145.6-108.5 118.2 140.7 13.6 11.0 651 291 B E - 0 0 82 -2,-0.6 -26,-1.3 -28,-0.4 2,-0.3 -0.428 15.7-147.8 -78.4 156.9 139.3 16.4 13.1 652 292 B C E -fg 625 677O 2 24,-2.1 26,-1.5 -28,-0.2 27,-0.9 -0.832 8.3-149.9-125.3 164.3 140.6 20.0 12.7 653 293 B M E -fg 626 679O 2 -28,-2.3 -26,-3.7 -2,-0.3 2,-0.5 -0.884 13.6-140.7-125.6 154.3 141.1 23.1 14.8 654 294 B V E +fg 627 680O 0 25,-1.6 27,-2.2 -2,-0.3 -26,-0.2 -0.986 31.0 155.8-121.8 127.4 140.9 26.7 13.6 655 295 B G - 0 0 0 -28,-2.6 -26,-0.4 -2,-0.5 2,-0.3 -0.263 20.1-150.7-122.4-148.8 143.4 29.2 15.0 656 296 B S - 0 0 18 -28,-0.1 2,-0.2 -2,-0.1 27,-0.1 -0.961 18.7 -99.1-171.2-176.3 144.8 32.5 13.7 657 297 B M S S- 0 0 12 -2,-0.3 2,-1.2 1,-0.1 27,-0.1 -0.368 73.4 -55.6-104.6-171.2 147.7 34.9 13.7 658 298 B I S S+ 0 0 79 -248,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.590 86.1 152.8 -71.8 99.9 147.8 38.0 15.9 659 299 B E - 0 0 6 -2,-1.2 29,-0.1 1,-0.1 -268,-0.1 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