==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-NOV-03 1V57 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.HERAS,M.A.EDELING,H.J.SCHIRRA,S.RAINA,J.L.MARTIN . 458 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 0 0 4 1 2 4 0 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 6 0 1 1 4 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 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 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 E 0 0 144 0, 0.0 3,-0.1 0, 0.0 448,-0.0 0.000 360.0 360.0 360.0-150.7 74.3 56.2 36.5 2 3 A L - 0 0 26 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.433 360.0 -80.8 -75.5 151.7 70.8 54.8 37.0 3 4 A P >> - 0 0 37 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.308 42.1-119.0 -56.9 140.0 68.9 56.1 40.1 4 5 A A H 3> S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.868 111.4 53.5 -46.1 -49.2 70.0 54.3 43.2 5 6 A P H 3> S+ 0 0 29 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.891 112.0 45.2 -57.2 -40.0 66.6 52.9 44.0 6 7 A V H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.855 109.4 55.2 -72.4 -34.7 66.3 51.3 40.6 7 8 A K H X S+ 0 0 78 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.874 104.7 55.2 -65.0 -35.6 69.9 50.0 40.8 8 9 A A H < S+ 0 0 52 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.891 106.9 49.9 -63.9 -39.3 68.9 48.3 44.0 9 10 A I H ><>S+ 0 0 26 -4,-1.3 3,-1.3 1,-0.2 5,-0.5 0.854 103.9 58.3 -69.6 -33.8 66.0 46.6 42.2 10 11 A E H >X5S+ 0 0 4 -4,-1.8 3,-1.7 1,-0.3 4,-1.4 0.889 99.4 59.9 -60.6 -37.9 68.4 45.4 39.3 11 12 A K T 3<5S+ 0 0 157 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.676 90.7 69.2 -64.4 -16.9 70.4 43.6 42.0 12 13 A Q T <45S- 0 0 146 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.258 134.3 -82.8 -84.5 12.1 67.3 41.6 42.8 13 14 A G T <45S+ 0 0 35 -3,-1.7 21,-0.6 1,-0.3 2,-0.4 0.750 85.1 139.1 96.3 27.2 67.8 39.9 39.4 14 15 A I E << -A 33 0A 10 -4,-1.4 2,-0.6 -5,-0.5 -1,-0.3 -0.877 35.5-158.7-110.3 136.2 66.2 42.4 37.0 15 16 A T E -A 32 0A 34 17,-2.4 17,-1.7 -2,-0.4 2,-0.2 -0.953 21.3-131.5-113.3 118.9 67.6 43.3 33.6 16 17 A I E -A 31 0A 10 -2,-0.6 15,-0.3 15,-0.2 433,-0.1 -0.455 22.6-178.3 -75.3 136.1 66.3 46.6 32.2 17 18 A I E - 0 0 13 13,-3.4 428,-2.3 1,-0.4 2,-0.3 0.860 62.7 -38.0 -94.6 -53.5 65.0 46.8 28.6 18 19 A K E -A 30 0A 39 12,-1.4 12,-2.9 426,-0.2 -1,-0.4 -0.977 53.8-104.4-165.8 170.0 64.2 50.5 28.3 19 20 A T E -A 29 0A 83 426,-0.4 2,-0.3 -2,-0.3 10,-0.3 -0.670 36.1-176.8-101.3 159.3 62.7 53.6 30.1 20 21 A F E -A 28 0A 39 8,-2.8 8,-2.9 -2,-0.2 2,-0.3 -0.984 30.7 -91.3-153.9 160.7 59.3 54.9 29.4 21 22 A D E -A 27 0A 164 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.598 41.4-179.1 -80.4 132.5 57.0 57.8 30.4 22 23 A A - 0 0 20 4,-1.4 3,-0.5 -2,-0.3 4,-0.2 -0.833 28.8 -92.6-125.2 163.2 54.6 57.2 33.4 23 24 A P S > S+ 0 0 82 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.208 95.5 34.6 -73.7 164.8 52.0 59.5 35.1 24 25 A G T 3 S- 0 0 68 1,-0.2 3,-0.1 19,-0.0 0, 0.0 0.704 130.5 -61.6 66.6 24.3 52.4 61.8 38.0 25 26 A G T 3 S+ 0 0 69 -3,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.667 101.7 138.8 77.0 14.9 55.9 62.9 37.3 26 27 A M < - 0 0 33 -3,-1.0 -4,-1.4 -4,-0.2 2,-0.4 -0.713 47.1-139.9 -95.3 145.2 57.1 59.3 37.6 27 28 A K E -AB 21 42A 99 15,-0.8 15,-2.8 -2,-0.3 2,-0.3 -0.843 17.9-143.2-103.3 139.4 59.6 57.7 35.3 28 29 A G E -AB 20 41A 0 -8,-2.9 -8,-2.8 -2,-0.4 2,-0.4 -0.793 10.8-164.0-107.5 148.4 59.0 54.1 34.2 29 30 A Y E -AB 19 40A 8 11,-2.7 11,-2.4 -2,-0.3 2,-0.5 -0.991 7.8-155.6-129.0 122.7 61.5 51.3 33.6 30 31 A L E +AB 18 39A 0 -12,-2.9 -13,-3.4 -2,-0.4 -12,-1.4 -0.840 33.2 138.5 -98.0 131.6 60.5 48.1 31.7 31 32 A G E -AB 16 38A 0 7,-2.9 7,-2.7 -2,-0.5 2,-0.3 -0.811 39.9-109.8-152.0-167.1 62.6 45.0 32.5 32 33 A K E -AB 15 37A 26 -17,-1.7 -17,-2.4 5,-0.3 2,-0.5 -0.993 2.0-157.5-141.9 147.5 62.6 41.3 33.1 33 34 A Y E > S-AB 14 36A 96 3,-3.1 3,-3.0 -2,-0.3 2,-0.2 -0.989 80.8 -48.4-119.9 111.9 63.2 38.9 35.9 34 35 A Q T 3 S- 0 0 107 -21,-0.6 -19,-0.1 -2,-0.5 -21,-0.0 -0.418 126.4 -22.9 56.7-121.6 64.2 35.6 34.3 35 36 A D T 3 S+ 0 0 17 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.400 119.4 101.4 -98.7 4.6 61.4 35.2 31.7 36 37 A M E < -B 33 0A 57 -3,-3.0 -3,-3.1 230,-0.1 2,-0.2 -0.746 68.4-131.2 -96.2 131.7 58.9 37.5 33.4 37 38 A G E -B 32 0A 1 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.507 28.6-176.5 -77.5 145.5 58.3 41.1 32.4 38 39 A V E -B 31 0A 10 -7,-2.7 -7,-2.9 -2,-0.2 2,-0.4 -0.977 17.1-147.3-141.6 153.5 58.3 43.7 35.2 39 40 A T E -B 30 0A 2 13,-0.4 13,-1.9 -2,-0.3 2,-0.4 -0.972 10.9-164.5-123.1 138.9 57.7 47.5 35.4 40 41 A I E -BC 29 51A 0 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.5 -0.964 3.9-157.4-123.4 138.8 59.5 49.8 37.9 41 42 A Y E -BC 28 50A 13 9,-2.4 9,-2.7 -2,-0.4 2,-0.4 -0.973 10.0-143.1-124.0 120.7 58.3 53.3 38.8 42 43 A L E -BC 27 49A 17 -15,-2.8 -15,-0.8 -2,-0.5 7,-0.3 -0.663 28.9-124.2 -79.2 129.0 60.6 56.0 40.1 43 44 A T > - 0 0 17 5,-2.7 3,-1.2 -2,-0.4 5,-0.2 -0.209 20.0-108.0 -70.6 163.7 58.7 58.1 42.7 44 45 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.915 120.6 59.4 -58.6 -44.3 58.4 61.9 42.5 45 46 A D T 3 S- 0 0 87 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.718 102.2-141.0 -58.3 -17.5 60.8 62.4 45.4 46 47 A G S < S+ 0 0 31 -3,-1.2 -1,-0.1 2,-0.2 -4,-0.0 0.341 82.0 91.8 73.7 -5.8 63.3 60.5 43.1 47 48 A K S S+ 0 0 162 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.1 0.295 82.5 52.4-102.4 7.5 64.7 58.6 46.1 48 49 A H - 0 0 112 -5,-0.2 -5,-2.7 2,-0.0 2,-0.3 -0.958 58.8-165.9-140.4 158.5 62.3 55.7 45.9 49 50 A A E -C 42 0A 25 -2,-0.3 2,-0.5 -7,-0.3 -7,-0.2 -0.996 10.2-147.4-145.6 144.0 61.2 53.2 43.2 50 51 A I E -C 41 0A 98 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.7 -0.954 1.7-157.5-119.5 124.3 58.3 50.7 43.1 51 52 A S E +C 40 0A 65 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.883 56.6 71.0 -97.8 114.3 58.4 47.4 41.4 52 53 A G S S- 0 0 20 -13,-1.9 2,-0.5 -2,-0.7 -13,-0.4 -0.973 80.6 -45.6 174.8-157.6 54.9 46.4 40.6 53 54 A Y - 0 0 110 -2,-0.3 2,-0.5 -15,-0.1 -2,-0.0 -0.903 38.3-146.5-113.7 132.0 51.7 46.9 38.6 54 55 A M - 0 0 40 -2,-0.5 8,-1.6 7,-0.0 9,-1.1 -0.809 14.6-170.1 -98.3 130.4 50.1 50.2 37.8 55 56 A Y B -D 61 0B 140 -2,-0.5 6,-0.2 6,-0.2 2,-0.2 -0.870 8.6-146.2-115.1 150.9 46.3 50.4 37.5 56 57 A N > - 0 0 57 4,-1.5 3,-1.7 -2,-0.3 0, 0.0 -0.489 37.6 -88.1-107.0-179.1 44.2 53.4 36.3 57 58 A E T 3 S+ 0 0 203 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.860 126.3 55.8 -57.3 -39.1 40.8 54.7 37.3 58 59 A K T 3 S- 0 0 201 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.590 119.8-111.2 -71.6 -8.9 39.0 52.4 34.8 59 60 A G < + 0 0 49 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.591 64.8 149.8 91.3 10.8 40.7 49.5 36.5 60 61 A E - 0 0 86 1,-0.1 2,-1.5 4,-0.0 -4,-1.5 -0.590 50.5-129.0 -79.4 138.5 43.1 48.5 33.7 61 62 A N B > -D 55 0B 19 -2,-0.3 4,-2.1 -6,-0.2 -6,-0.2 -0.714 28.0-175.2 -85.6 90.6 46.4 46.9 34.7 62 63 A L H > S+ 0 0 55 -8,-1.6 4,-2.5 -2,-1.5 5,-0.2 0.845 79.1 55.6 -57.0 -37.1 48.6 49.2 32.6 63 64 A S H > S+ 0 0 0 -9,-1.1 4,-3.1 2,-0.2 -1,-0.2 0.943 107.9 48.6 -62.4 -47.2 51.7 47.3 33.5 64 65 A N H > S+ 0 0 26 -10,-0.2 4,-2.7 1,-0.2 5,-0.3 0.926 111.4 50.1 -57.0 -48.5 50.2 44.1 32.2 65 66 A T H X S+ 0 0 30 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.911 113.9 44.5 -57.7 -46.5 49.1 45.8 29.0 66 67 A L H X S+ 0 0 38 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.930 113.5 50.2 -65.0 -46.8 52.6 47.2 28.4 67 68 A I H X>S+ 0 0 5 -4,-3.1 4,-2.0 -5,-0.2 5,-1.6 0.896 114.5 43.6 -60.3 -41.5 54.4 44.0 29.3 68 69 A E H <>S+ 0 0 5 -4,-2.7 5,-2.6 -5,-0.2 -1,-0.2 0.929 116.8 46.8 -70.8 -43.4 52.2 41.9 27.0 69 70 A K H <5S+ 0 0 111 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.872 125.7 26.9 -66.2 -39.7 52.4 44.4 24.1 70 71 A E H <5S+ 0 0 11 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.691 133.1 22.0-100.4 -21.6 56.2 45.0 24.3 71 72 A I T <5S+ 0 0 29 -4,-2.0 4,-0.4 -5,-0.4 -3,-0.2 0.810 125.2 32.0-109.9 -64.5 57.7 41.8 25.7 72 73 A Y T >4 S+ 0 0 13 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.811 89.4 59.6 -32.5 -66.5 56.2 40.9 19.4 75 76 A A G 34 S+ 0 0 21 -4,-0.4 3,-0.4 1,-0.3 4,-0.3 0.762 106.2 48.7 -42.6 -37.3 58.4 37.9 18.5 76 77 A G G X> S+ 0 0 7 -3,-1.3 4,-1.6 -4,-0.3 3,-1.0 0.647 86.6 86.7 -82.9 -14.2 55.5 35.8 17.3 77 78 A R H S+ 0 0 20 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.3 0.788 107.5 53.7 -62.6 -25.7 56.0 37.5 12.0 79 80 A M H <> S+ 0 0 1 -3,-1.0 4,-2.0 -4,-0.3 -1,-0.2 0.883 104.3 52.4 -74.6 -40.0 54.9 33.9 12.4 80 81 A W H X S+ 0 0 50 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.906 110.3 51.0 -62.0 -40.0 51.2 34.9 12.4 81 82 A Q H X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.930 106.1 53.4 -61.9 -48.3 52.0 36.7 9.2 82 83 A R H < S+ 0 0 38 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.863 108.8 50.1 -57.7 -36.7 53.7 33.6 7.7 83 84 A M H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.947 109.1 51.2 -67.6 -44.1 50.6 31.5 8.4 84 85 A E H 3< S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.851 110.4 50.0 -59.7 -34.0 48.3 34.2 6.8 85 86 A Q T 3< S+ 0 0 140 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.499 97.1 93.3 -84.3 -4.2 50.6 34.1 3.7 86 87 A S S < S- 0 0 31 -3,-1.5 2,-1.5 -4,-0.4 -3,-0.1 -0.282 93.4 -93.0 -84.0 173.0 50.4 30.2 3.5 87 88 A H + 0 0 97 96,-0.1 46,-0.4 46,-0.1 2,-0.2 -0.628 60.6 166.0 -88.2 81.1 48.0 28.1 1.5 88 89 A W - 0 0 60 -2,-1.5 2,-0.4 -4,-0.2 44,-0.2 -0.619 34.4-124.4 -96.3 156.6 45.3 27.5 4.1 89 90 A L E -E 131 0C 11 42,-2.1 42,-2.1 -2,-0.2 2,-0.4 -0.817 26.8-125.0 -99.6 139.4 41.8 26.1 3.6 90 91 A L E +E 130 0C 29 -2,-0.4 2,-0.5 40,-0.2 40,-0.2 -0.726 27.1 176.6 -92.4 130.0 38.9 28.2 4.8 91 92 A D E +E 129 0C 5 38,-1.9 38,-3.0 -2,-0.4 2,-0.2 -0.895 61.9 13.1-129.4 97.5 36.2 26.9 7.2 92 93 A G S S- 0 0 25 -2,-0.5 2,-0.2 36,-0.2 36,-0.2 -0.730 107.0 -28.3 129.0-178.7 33.8 29.6 8.1 93 94 A K > - 0 0 115 29,-0.4 3,-2.1 34,-0.4 -2,-0.1 -0.485 49.6-131.9 -73.1 138.4 32.8 33.0 6.9 94 95 A K T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.2 34,-0.1 0.767 109.5 48.9 -58.4 -25.4 35.6 35.0 5.2 95 96 A D T 3 S+ 0 0 111 32,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.277 75.9 137.2-100.1 11.2 34.7 38.0 7.4 96 97 A A < - 0 0 5 -3,-2.1 30,-0.2 1,-0.1 32,-0.1 -0.364 52.3-140.4 -56.6 132.4 34.6 36.0 10.7 97 98 A P S S+ 0 0 107 0, 0.0 2,-0.6 0, 0.0 30,-0.2 0.799 83.0 66.8 -68.7 -30.6 36.3 38.3 13.3 98 99 A V E -f 127 0C 42 28,-2.3 30,-2.5 129,-0.1 2,-0.5 -0.838 69.6-162.5 -99.1 121.3 38.1 35.5 15.1 99 100 A I E +f 128 0C 44 -2,-0.6 106,-0.5 28,-0.2 2,-0.4 -0.875 9.4 179.6-105.7 130.0 40.9 33.8 13.1 100 101 A V E -f 129 0C 0 28,-2.1 30,-3.5 -2,-0.5 2,-0.4 -0.996 12.0-155.7-131.0 128.1 42.3 30.4 14.2 101 102 A Y E -fG 130 203C 0 102,-2.6 102,-2.9 -2,-0.4 2,-0.4 -0.826 10.7-171.7-101.6 142.8 45.0 28.5 12.3 102 103 A V E -fG 131 202C 7 28,-2.0 30,-2.6 -2,-0.4 2,-0.7 -0.982 18.0-149.6-139.0 125.3 45.3 24.7 12.6 103 104 A F E +fG 132 201C 0 98,-2.4 98,-1.4 -2,-0.4 2,-0.3 -0.846 35.3 176.6 -91.2 119.3 48.0 22.5 11.4 104 105 A A E -f 133 0C 1 28,-1.3 30,-2.1 -2,-0.7 -2,-0.0 -0.943 27.3-153.6-131.3 152.6 46.2 19.2 10.7 105 106 A D > - 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0 0 0 -2,-0.3 3,-0.4 28,-0.2 30,-0.1 -0.854 28.0-123.2-117.4 150.4 68.7 55.6 12.1 336 107 B P S S+ 0 0 0 0, 0.0 2,-0.8 0, 0.0 29,-0.1 0.810 108.4 51.6 -64.1 -30.5 71.2 58.2 10.9 337 108 B F S S+ 0 0 73 31,-0.1 34,-0.1 4,-0.0 59,-0.0 -0.673 81.0 113.1-109.5 76.2 69.7 60.9 13.1 338 109 B C >> - 0 0 10 -2,-0.8 4,-1.3 -3,-0.4 3,-0.9 -0.831 48.2-160.8-149.3 103.9 69.6 59.2 16.5 339 110 B P H 3> S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.885 93.7 50.1 -49.6 -47.1 71.8 60.4 19.4 340 111 B Y H 3> S+ 0 0 114 89,-0.2 4,-2.5 1,-0.2 5,-0.2 0.727 101.0 63.2 -70.7 -20.3 71.6 57.2 21.4 341 112 B C H <> S+ 0 0 4 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.935 108.2 43.0 -66.7 -43.3 72.5 55.1 18.4 342 113 B K H X S+ 0 0 33 -4,-1.3 4,-2.0 -3,-0.2 -2,-0.2 0.888 113.6 50.8 -68.5 -40.5 75.9 56.9 18.4 343 114 B Q H X S+ 0 0 91 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 111.5 47.4 -66.3 -39.6 76.3 56.7 22.1 344 115 B F H X S+ 0 0 5 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.883 108.1 56.1 -67.9 -36.8 75.6 52.9 22.1 345 116 B W H X S+ 0 0 28 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.921 109.6 46.8 -58.0 -42.6 78.0 52.5 19.3 346 117 B Q H >< S+ 0 0 117 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.919 106.7 57.4 -65.1 -45.3 80.6 54.2 21.6 347 118 B Q H 3< S+ 0 0 43 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.863 104.6 53.1 -54.1 -38.9 79.7 52.0 24.5 348 119 B A H >X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 3,-1.0 0.662 78.8 96.7 -74.1 -17.4 80.5 48.9 22.5 349 120 B R H S+ 0 0 28 -3,-1.0 5,-2.0 -4,-0.3 6,-1.3 0.876 119.6 49.0 -79.1 -41.4 84.2 44.6 23.1 352 123 B V H ><5S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.2 -29,-0.4 0.915 110.6 50.1 -66.1 -44.1 84.1 45.3 19.4 353 124 B D T 3<5S+ 0 0 120 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.506 110.2 51.9 -75.0 -2.6 87.7 46.4 19.1 354 125 B S T < 5S- 0 0 64 -3,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.368 113.9-113.8-111.4 1.0 88.8 43.3 21.0 355 126 B G T < 5S+ 0 0 20 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.605 87.7 112.3 78.5 11.9 87.0 40.8 18.8 356 127 B K S S- 0 0 121 1,-0.1 3,-1.1 0, 0.0 -1,-0.1 -0.786 79.5-105.2-122.5 164.9 63.7 62.4 10.5 369 140 B P T 3 S+ 0 0 133 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.867 123.2 42.6 -53.9 -38.6 62.7 63.7 7.0 370 141 B E T 3> S+ 0 0 79 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.560 87.1 96.4 -87.3 -7.7 66.2 63.1 5.8 371 142 B S H <> S+ 0 0 0 -3,-1.1 4,-2.8 1,-0.2 5,-0.3 0.903 83.6 48.8 -49.2 -49.4 66.7 59.7 7.5 372 143 B P H > S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.935 114.8 43.0 -58.5 -48.9 65.7 57.6 4.4 373 144 B A H > S+ 0 0 25 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.886 115.9 48.9 -65.5 -39.9 68.0 59.5 2.0 374 145 B T H X S+ 0 0 8 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.947 112.5 46.7 -66.8 -46.6 70.9 59.5 4.5 375 146 B A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.906 114.2 49.2 -60.6 -39.9 70.6 55.8 5.3 376 147 B A H X S+ 0 0 2 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.876 106.4 55.6 -65.8 -38.8 70.4 55.1 1.5 377 148 B A H X S+ 0 0 6 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.854 107.8 49.9 -62.5 -34.9 73.4 57.3 0.9 378 149 B I H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.904 110.5 48.4 -70.8 -41.1 75.4 55.1 3.3 379 150 B L H 3< S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.773 110.0 55.0 -68.5 -25.1 74.2 51.9 1.7 380 151 B A H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.614 86.9 104.6 -83.9 -13.5 75.2 53.5 -1.7 381 152 B S S << S- 0 0 33 -3,-0.7 4,-0.1 -4,-0.6 -3,-0.0 -0.146 86.1-107.2 -66.3 164.9 78.8 54.2 -0.6 382 153 B K S S+ 0 0 219 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.865 116.5 21.5 -59.5 -40.2 81.8 52.1 -1.8 383 154 B D S > S- 0 0 80 1,-0.1 4,-2.8 -5,-0.1 3,-0.4 -0.725 72.5-179.0-132.4 81.3 82.2 50.5 1.6 384 155 B P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.867 82.4 52.2 -47.2 -48.7 78.8 50.9 3.5 385 156 B A H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.904 113.1 44.1 -58.7 -44.1 80.1 49.2 6.6 386 157 B K H > S+ 0 0 120 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.908 112.4 52.3 -67.9 -42.3 83.1 51.5 6.9 387 158 B T H X S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.897 108.3 51.5 -62.0 -38.2 81.0 54.6 6.1 388 159 B W H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.891 108.6 51.5 -65.8 -38.2 78.6 53.6 8.8 389 160 B Q H X S+ 0 0 38 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.911 112.8 44.5 -62.7 -44.7 81.5 53.3 11.3 390 161 B Q H X S+ 0 0 81 -4,-2.3 4,-2.6 2,-0.2 6,-0.3 0.900 111.5 55.0 -67.4 -39.9 82.8 56.8 10.3 391 162 B Y H <>S+ 0 0 9 -4,-2.7 5,-2.7 -5,-0.2 7,-0.3 0.945 114.6 38.1 -59.0 -50.3 79.3 58.1 10.5 392 163 B E H ><5S+ 0 0 7 -4,-2.6 3,-1.5 3,-0.2 -2,-0.2 0.931 116.6 51.2 -67.2 -46.7 78.7 56.9 14.0 393 164 B A H 3<5S+ 0 0 59 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 110.1 49.8 -59.8 -36.7 82.2 57.7 15.2 394 165 B S T ><5S- 0 0 39 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.3 0.428 113.9-116.6 -83.6 1.4 82.0 61.3 13.9 395 166 B G T < 5S- 0 0 43 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.782 73.5 -55.0 68.8 25.8 78.7 61.8 15.6 396 167 B G T 3 - 0 0 25 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.229 16.6-112.9 -70.3 160.9 67.4 53.4 -5.4 408 179 B T H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.905 120.1 49.9 -58.3 -43.0 64.9 50.5 -5.7 409 180 B E H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 112.2 47.3 -61.5 -46.3 67.4 48.2 -4.1 410 181 B Q H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.891 109.0 53.5 -63.2 -42.7 68.0 50.7 -1.2 411 182 B M H X S+ 0 0 108 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.908 108.5 51.5 -59.6 -41.3 64.3 51.3 -0.7 412 183 B K H X S+ 0 0 125 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.902 109.5 48.5 -63.3 -43.4 63.8 47.5 -0.3 413 184 B V H X S+ 0 0 23 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.957 116.3 42.6 -60.8 -52.3 66.5 47.2 2.3 414 185 B L H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 115.7 50.2 -60.6 -44.9 65.2 50.1 4.4 415 186 B S H X S+ 0 0 67 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.918 112.9 45.2 -60.5 -47.7 61.6 48.8 3.9 416 187 B D H X S+ 0 0 63 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.899 112.9 50.3 -64.0 -42.8 62.5 45.3 5.0 417 188 B N H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.896 110.4 50.9 -62.9 -40.3 64.5 46.4 8.0 418 189 B E H X S+ 0 0 45 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.875 107.7 52.7 -66.1 -37.4 61.7 48.7 9.1 419 190 B K H X S+ 0 0 94 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 110.9 46.3 -65.4 -43.1 59.2 45.8 8.8 420 191 B L H X S+ 0 0 18 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.924 112.3 51.9 -63.9 -42.2 61.3 43.6 11.0 421 192 B M H <>S+ 0 0 1 -4,-2.4 5,-0.9 1,-0.2 4,-0.3 0.920 111.0 47.1 -59.1 -44.9 61.8 46.4 13.5 422 193 B D H ><5S+ 0 0 69 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.892 106.9 57.3 -65.8 -38.6 58.1 47.0 13.6 423 194 B D H 3<5S+ 0 0 2 -4,-2.5 -346,-0.3 1,-0.3 -1,-0.2 0.889 104.2 54.1 -58.3 -37.5 57.5 43.2 14.1 424 195 B L T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.1 -349,-0.2 0.511 112.1-121.4 -78.5 -2.7 59.7 43.4 17.2 425 196 B G T < 5S+ 0 0 25 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.393 76.7 108.1 84.8 -3.0 57.7 46.2 18.8 426 197 B A < + 0 0 2 -5,-0.9 -2,-0.1 1,-0.1 -1,-0.1 -0.876 32.8 174.3-115.0 101.8 60.2 49.0 19.2 427 198 B N + 0 0 101 -2,-0.7 2,-0.3 -5,-0.1 -1,-0.1 0.374 61.8 87.3 -82.3 2.7 59.7 51.9 16.8 428 199 B V S S- 0 0 86 -7,-0.1 -95,-0.1 2,-0.1 18,-0.1 -0.796 81.4-100.3-103.4 145.8 62.4 53.8 18.6 429 200 B T S S+ 0 0 7 -2,-0.3 -89,-0.2 1,-0.1 -88,-0.2 -0.877 96.4 46.2-113.6 149.0 66.1 53.5 17.7 430 201 B P + 0 0 2 0, 0.0 16,-2.1 0, 0.0 2,-0.7 0.490 68.2 176.3 -79.9 143.5 68.4 52.1 18.7 431 202 B A E -OP 333 445F 0 -98,-1.7 -98,-2.4 14,-0.2 2,-0.4 -0.963 15.3-163.1-112.2 110.5 66.5 48.8 19.0 432 203 B I E -OP 332 444F 0 12,-3.4 12,-1.8 -2,-0.7 2,-0.4 -0.823 7.8-170.0-102.7 133.8 69.1 46.3 20.2 433 204 B Y E +OP 331 443F 4 -102,-3.0 -102,-2.2 -2,-0.4 2,-0.3 -0.973 11.9 160.7-126.5 135.5 68.6 42.5 20.0 434 205 B Y E - P 0 442F 15 8,-1.9 8,-3.1 -2,-0.4 2,-0.4 -0.957 33.1-113.4-146.2 161.7 70.7 39.8 21.5 435 206 B M E - P 0 441F 46 -106,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.822 21.6-138.4-104.7 140.1 70.3 36.1 22.4 436 207 B S > - 0 0 24 4,-2.1 3,-1.9 -2,-0.4 6,-0.0 -0.393 34.2-103.6 -84.0 167.4 70.4 34.6 25.9 437 208 B K T 3 S+ 0 0 208 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.760 123.9 61.8 -63.9 -21.1 72.3 31.4 26.7 438 209 B E T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.185 119.8-110.3 -89.4 16.3 68.8 29.8 26.8 439 210 B N S < S+ 0 0 82 -3,-1.9 2,-0.4 1,-0.2 -132,-0.2 0.781 73.9 137.6 61.7 28.3 68.3 30.7 23.1 440 211 B T - 0 0 5 -134,-0.1 -4,-2.1 -133,-0.1 2,-0.2 -0.897 57.5-114.3-109.1 136.6 65.6 33.3 24.0 441 212 B L E -P 435 0F 27 -2,-0.4 2,-0.3 -139,-0.3 -6,-0.2 -0.478 33.4-167.7 -70.8 131.0 65.5 36.7 22.2 442 213 B Q E -P 434 0F 26 -8,-3.1 -8,-1.9 -2,-0.2 2,-0.3 -0.845 1.7-154.8-118.7 157.3 66.2 39.7 24.4 443 214 B Q E -P 433 0F 18 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.917 14.5-178.5-134.6 156.3 65.8 43.4 23.7 444 215 B A E -P 432 0F 0 -12,-1.8 -12,-3.4 -2,-0.3 2,-0.4 -0.968 10.9-165.0-150.6 137.9 67.1 46.8 24.8 445 216 B V E -P 431 0F 14 -428,-2.3 -426,-0.4 -2,-0.3 -14,-0.2 -0.995 55.5 -4.3-132.2 133.8 65.9 50.2 23.5 446 217 B G S S- 0 0 11 -16,-2.1 -14,-0.1 -2,-0.4 -2,-0.0 -0.569 118.1 -12.4 86.9-154.1 67.6 53.6 23.8 447 218 B L S S- 0 0 68 -2,-0.2 -2,-0.1 -104,-0.0 -106,-0.1 -0.730 72.8-135.3 -88.8 114.2 70.8 53.9 25.8 448 219 B P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -431,-0.1 -0.337 14.9-128.9 -66.3 146.5 71.5 50.8 27.9 449 220 B D > - 0 0 21 -433,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.317 40.3 -85.4 -84.1 177.9 72.6 51.3 31.5 450 221 B Q H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.886 126.7 46.6 -54.3 -47.0 75.8 49.6 32.8 451 222 B K H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.956 115.4 45.0 -62.9 -49.9 74.1 46.3 33.7 452 223 B T H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 111.4 54.2 -61.6 -40.3 72.2 46.0 30.5 453 224 B L H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.957 109.0 47.5 -58.1 -51.8 75.2 47.0 28.4 454 225 B N H <>S+ 0 0 39 -4,-2.2 5,-2.9 1,-0.2 -1,-0.2 0.868 112.2 49.8 -58.7 -38.6 77.4 44.3 29.9 455 226 B I H ><5S+ 0 0 60 -4,-2.0 3,-1.3 3,-0.2 -1,-0.2 0.909 110.7 49.4 -68.6 -40.7 74.7 41.6 29.4 456 227 B I H 3<5S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.919 108.8 53.8 -61.8 -42.9 74.2 42.6 25.8 457 228 B M T 3<5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.422 121.1-109.3 -73.0 0.3 78.0 42.4 25.3 458 229 B G T < 5 0 0 51 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.674 360.0 360.0 81.0 16.8 78.0 38.9 26.7 459 230 B N < 0 0 123 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.617 360.0 360.0 -70.2 360.0 79.8 39.7 30.0