==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-MAY-13 4BND . COMPND 2 MOLECULE: ALPHA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. CREMORIS MG1 . AUTHOR P.NOGLY,P.M.MATIAS,M.DE ROSA,R.CASTRO,H.SANTOS,A.R.NEVES,M.A . 505 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 33 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 4 0 0 0 2 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 5 1 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 . 0 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 1 0 0 1 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 0 A K 0 0 227 0, 0.0 206,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.0 12.2 64.0 11.6 2 1 A M + 0 0 111 2,-0.0 2,-0.4 1,-0.0 0, 0.0 0.952 360.0 71.9 -65.0 -53.5 10.3 66.6 9.6 3 2 A K + 0 0 57 1,-0.2 205,-0.2 205,-0.1 204,-0.1 -0.539 45.9 153.4 -75.6 126.8 12.8 67.1 6.7 4 3 A K + 0 0 86 203,-2.8 33,-2.1 -2,-0.4 2,-0.5 0.563 57.7 57.5-116.7 -26.6 12.9 64.1 4.2 5 4 A I E -ab 37 208A 3 202,-2.0 204,-2.5 31,-0.2 2,-0.6 -0.970 57.2-162.1-121.2 125.5 14.0 65.7 0.9 6 5 A L E -ab 38 209A 7 31,-3.2 33,-2.8 -2,-0.5 2,-0.3 -0.957 22.7-173.5-103.5 114.3 17.1 67.7 0.3 7 6 A S E +ab 39 210A 0 202,-2.7 204,-2.1 -2,-0.6 2,-0.3 -0.886 7.1 171.8-116.5 147.4 16.5 69.6 -2.9 8 7 A F E -ab 40 211A 0 31,-1.2 33,-2.7 -2,-0.3 204,-0.2 -0.995 34.0-125.2-149.6 140.7 19.0 71.8 -4.9 9 8 A D - 0 0 1 202,-1.7 33,-0.2 -2,-0.3 5,-0.1 -0.504 25.9-143.5 -67.8 162.0 19.4 73.6 -8.1 10 9 A I S >>>S+ 0 0 0 31,-0.2 4,-2.8 -2,-0.2 3,-2.7 0.899 72.3 92.4 -84.6 -58.1 22.6 72.3 -9.8 11 10 A D T 345S- 0 0 11 1,-0.3 202,-0.3 2,-0.2 -2,-0.1 -0.071 115.3 -21.8 -50.9 118.2 23.8 75.6 -11.3 12 11 A N T 345S+ 0 0 38 3,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.606 131.6 76.1 55.2 20.8 26.2 77.3 -8.9 13 12 A T T <45S+ 0 0 0 -3,-2.7 227,-0.2 223,-0.1 -2,-0.2 0.662 110.8 15.2-122.3 -47.1 24.7 75.4 -6.0 14 13 A L T <5S+ 0 0 0 -4,-2.8 8,-0.4 226,-0.1 2,-0.2 0.645 133.4 7.7 -98.8 -20.6 26.3 71.9 -6.4 15 14 A N S S- 0 0 73 4,-0.3 3,-2.6 -2,-0.2 -3,-0.1 -0.639 91.2 -59.3 -74.2 146.1 31.0 75.5 -10.7 17 16 A P T 3 S- 0 0 11 0, 0.0 -1,-0.1 0, 0.0 130,-0.1 -0.021 116.7 -20.6 -47.6 111.9 28.6 76.7 -13.5 18 17 A K T 3 S+ 0 0 28 1,-0.2 -7,-0.1 -3,-0.1 3,-0.0 0.702 109.6 123.2 65.0 22.4 27.7 73.7 -15.6 19 18 A M S < S- 0 0 56 -3,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.717 71.9 -83.6-108.6 161.9 30.7 71.7 -14.6 20 19 A P - 0 0 65 0, 0.0 -4,-0.3 0, 0.0 32,-0.2 -0.376 54.5-103.3 -56.1 144.2 31.1 68.3 -13.0 21 20 A I - 0 0 7 31,-2.8 -6,-0.1 30,-0.1 -7,-0.0 -0.260 38.7-108.3 -66.9 151.7 30.7 68.3 -9.2 22 21 A F >> - 0 0 93 -8,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.497 27.2-109.1 -76.8 154.9 33.9 68.1 -7.2 23 22 A P H 3> S+ 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 118.6 60.4 -49.4 -43.5 34.8 64.9 -5.3 24 23 A E H 3> S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.926 110.4 40.3 -53.8 -49.1 34.1 66.7 -2.0 25 24 A M H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.884 110.3 57.9 -65.1 -44.5 30.5 67.4 -3.1 26 25 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.911 108.2 47.8 -53.5 -42.9 30.1 63.9 -4.6 27 26 A E H X S+ 0 0 99 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.886 110.4 51.0 -68.8 -38.5 30.9 62.4 -1.2 28 27 A L H X S+ 0 0 20 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.936 112.8 44.9 -62.0 -46.7 28.6 64.6 0.8 29 28 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 112.0 53.3 -66.0 -39.0 25.6 63.9 -1.5 30 29 A A H X S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.3 32,-0.5 0.933 111.1 46.1 -60.6 -47.1 26.5 60.1 -1.4 31 30 A T H >< S+ 0 0 66 -4,-2.5 3,-1.4 1,-0.2 4,-0.4 0.943 113.3 48.0 -63.0 -44.0 26.5 60.1 2.4 32 31 A L H >X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.3 3,-1.6 0.829 100.7 67.1 -67.0 -32.5 23.2 62.0 2.6 33 32 A S H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.662 86.7 68.9 -63.4 -16.8 21.6 59.8 0.1 34 33 A Q T << S+ 0 0 101 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.785 120.3 16.7 -64.1 -30.8 21.8 56.9 2.5 35 34 A K T <4 S+ 0 0 116 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.2 0.621 125.5 42.0-116.6 -24.8 19.2 58.6 4.7 36 35 A Y S < S- 0 0 33 -4,-2.6 2,-0.4 -30,-0.0 -31,-0.2 -0.873 78.0-105.7-125.4 157.9 17.5 61.3 2.5 37 36 A I E -a 5 0A 35 -33,-2.1 -31,-3.2 -2,-0.3 2,-0.6 -0.726 29.2-150.4 -77.3 133.4 16.1 61.9 -0.9 38 37 A I E -ac 6 66A 1 27,-2.8 29,-2.6 -2,-0.4 -31,-0.2 -0.961 17.3-177.7-103.0 115.6 18.4 64.0 -3.0 39 38 A A E -a 7 0A 0 -33,-2.8 -31,-1.2 -2,-0.6 2,-0.2 -0.728 7.3-168.8-123.5 82.3 16.3 66.0 -5.5 40 39 A P E -a 8 0A 0 0, 0.0 29,-2.7 0, 0.0 2,-0.4 -0.523 6.1-171.4 -68.1 134.1 18.3 68.2 -7.9 41 40 A I B +e 69 0B 0 -33,-2.7 2,-0.3 -2,-0.2 -31,-0.2 -0.982 24.6 134.8-132.1 119.0 15.9 70.5 -9.8 42 41 A S - 0 0 0 27,-2.1 30,-2.7 -2,-0.4 31,-0.4 -0.989 65.4-107.9-164.4 153.6 17.4 72.4 -12.6 43 42 A G S S+ 0 0 3 28,-0.3 27,-0.1 -2,-0.3 -1,-0.0 0.627 81.4 114.5 -64.6 -17.2 17.1 73.6 -16.2 44 43 A Q S S- 0 0 10 1,-0.1 27,-2.3 26,-0.1 -2,-0.2 -0.177 70.8-112.8 -54.6 148.9 19.9 71.2 -17.2 45 44 A K >> - 0 0 53 25,-0.2 4,-1.7 26,-0.1 3,-0.9 -0.363 30.9-100.4 -77.1 163.3 19.0 68.3 -19.5 46 45 A Y H 3> S+ 0 0 48 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.905 120.8 53.6 -56.6 -46.5 19.1 64.7 -18.4 47 46 A D H 3> S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.827 109.6 50.7 -60.9 -30.2 22.4 63.8 -20.0 48 47 A Q H <> S+ 0 0 25 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.751 102.2 58.8 -77.8 -28.4 23.9 66.8 -18.1 49 48 A F H X>S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.4 5,-1.8 0.897 110.7 45.2 -58.9 -39.1 22.4 65.6 -14.8 50 49 A L H <>S+ 0 0 31 -4,-1.9 5,-3.2 3,-0.2 6,-0.3 0.958 118.1 41.4 -70.3 -47.8 24.4 62.4 -15.4 51 50 A I H <5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.901 122.0 39.5 -67.8 -39.5 27.6 64.3 -16.4 52 51 A Q H <5S- 0 0 0 -4,-2.9 -31,-2.8 -32,-0.2 -1,-0.2 0.865 138.0 -1.3 -79.7 -36.8 27.4 66.9 -13.7 53 52 A I T ><5S+ 0 0 2 -4,-2.0 3,-1.7 -5,-0.3 4,-0.4 0.775 123.5 47.1-119.4 -67.0 26.2 64.8 -10.9 54 53 A I G > - 0 0 29 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.284 31.5-106.5 -66.9 159.8 31.1 57.2 -5.6 59 58 A E T 3 S+ 0 0 191 1,-0.3 4,-0.2 3,-0.0 -2,-0.1 0.810 115.5 67.3 -59.7 -26.5 29.8 53.7 -5.8 60 59 A S T 3 S+ 0 0 78 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.643 74.2 111.8 -69.1 -15.5 28.5 53.9 -2.3 61 60 A A S < S- 0 0 12 -3,-1.9 2,-1.2 1,-0.1 3,-0.1 -0.280 73.8-125.8 -57.1 143.4 25.8 56.5 -3.2 62 61 A N > - 0 0 49 -32,-0.5 3,-1.8 1,-0.2 4,-0.2 -0.759 27.0-174.5 -89.4 91.4 22.3 55.2 -3.0 63 62 A L G > S+ 0 0 50 -2,-1.2 3,-1.9 1,-0.3 16,-0.3 0.780 76.3 71.8 -63.5 -25.4 21.2 56.1 -6.5 64 63 A D G 3 S+ 0 0 62 1,-0.3 15,-0.3 -3,-0.1 -1,-0.3 0.797 96.1 53.5 -56.0 -28.6 17.6 55.1 -5.7 65 64 A N G < S+ 0 0 39 -3,-1.8 -27,-2.8 -32,-0.1 2,-0.7 0.409 85.1 94.4 -92.5 6.2 17.4 58.2 -3.5 66 65 A F B < -c 38 0A 0 -3,-1.9 2,-0.6 -29,-0.2 13,-0.4 -0.869 55.2-175.3 -96.4 113.4 18.5 60.6 -6.3 67 66 A H - 0 0 24 -29,-2.6 2,-0.7 -2,-0.7 11,-0.2 -0.944 13.9-147.7-115.1 116.5 15.2 61.9 -7.9 68 67 A L E - F 0 77B 0 9,-2.5 9,-2.1 -2,-0.6 2,-1.0 -0.776 15.6-169.6-105.2 115.1 16.0 64.1 -10.9 69 68 A F E > -eF 41 76B 0 -29,-2.7 -27,-2.1 -2,-0.7 3,-0.5 -0.795 25.3-169.2-103.6 88.7 13.7 67.0 -11.8 70 69 A V E >>> + F 0 75B 0 5,-1.1 5,-1.9 -2,-1.0 3,-1.3 -0.404 61.3 18.0 -85.7 148.0 15.2 67.8 -15.2 71 70 A A G >45S- 0 0 0 -27,-2.3 3,-0.8 -29,-0.4 -28,-0.3 0.911 144.1 -48.0 51.6 47.6 14.4 70.9 -17.3 72 71 A Q G <45S- 0 0 2 -30,-2.7 121,-0.6 -3,-0.5 -1,-0.3 0.556 110.3 -54.0 71.6 14.9 13.1 72.6 -14.1 73 72 A G G <45S+ 0 0 0 -3,-1.3 -1,-0.2 -31,-0.4 -2,-0.2 0.615 108.2 119.7 89.4 22.8 11.0 69.5 -13.3 74 73 A T T <<5S+ 0 0 1 -4,-1.1 16,-3.0 -3,-0.8 2,-0.3 0.570 84.4 38.7 -85.5 -9.1 9.2 69.3 -16.6 75 74 A Q E + G 0 83B 165 3,-2.2 3,-1.4 -2,-0.4 -2,-0.0 -0.970 66.9 2.6-152.3 138.3 15.2 51.6 -9.1 81 80 A A T 3 S- 0 0 90 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.890 129.8 -52.4 49.8 52.3 16.9 48.3 -9.5 82 81 A G T 3 S+ 0 0 66 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.447 116.9 100.5 72.0 8.8 20.0 49.7 -11.2 83 82 A E E < -G 80 0B 104 -3,-1.4 -3,-2.2 2,-0.0 2,-0.3 -0.969 61.8-139.8-137.4 135.0 18.1 51.5 -13.9 84 83 A W E -G 79 0B 46 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.731 24.9-172.6 -85.8 139.6 17.0 55.1 -14.6 85 84 A K E -G 78 0B 126 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.7 -0.996 27.9-120.4-134.2 143.9 13.5 55.6 -16.1 86 85 A Q E -G 77 0B 95 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.717 27.1-177.5 -80.2 112.5 11.7 58.6 -17.4 87 86 A V E - 0 0 64 -11,-3.2 2,-0.3 -2,-0.7 -1,-0.2 0.881 66.2 -8.2 -82.1 -41.5 8.7 59.0 -15.2 88 87 A F E -G 76 0B 11 -12,-1.2 -12,-1.9 2,-0.0 -1,-0.3 -0.982 52.3-170.8-151.2 162.1 7.3 62.0 -17.1 89 88 A N E -G 75 0B 43 -2,-0.3 2,-2.1 -14,-0.2 -14,-0.2 -0.761 13.2-157.5-156.3 105.1 8.2 64.4 -19.8 90 89 A Y - 0 0 17 -16,-3.0 219,-0.1 -2,-0.2 -15,-0.1 -0.512 34.8-164.7 -82.9 72.9 6.1 67.5 -20.6 91 90 A A - 0 0 53 -2,-2.1 40,-0.3 217,-0.1 2,-0.1 -0.291 16.8-117.8 -70.2 142.3 7.6 67.7 -24.1 92 91 A L - 0 0 18 38,-2.9 2,-0.2 1,-0.1 -1,-0.1 -0.426 28.4-117.7 -67.6 143.9 7.3 70.7 -26.4 93 92 A T > - 0 0 47 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.474 30.6-107.8 -68.2 164.2 5.4 70.3 -29.6 94 93 A D H > S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 122.5 52.9 -59.0 -41.1 7.6 70.9 -32.7 95 94 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 110.0 45.8 -62.9 -46.9 5.7 74.1 -33.2 96 95 A Q H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 112.5 50.9 -60.6 -48.0 6.3 75.4 -29.6 97 96 A A H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.947 112.2 46.7 -57.4 -45.3 10.0 74.4 -29.8 98 97 A N H X S+ 0 0 104 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.881 112.5 49.6 -65.1 -37.6 10.5 76.3 -33.0 99 98 A A H X S+ 0 0 34 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 114.1 44.9 -67.5 -43.3 8.6 79.4 -31.8 100 99 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.934 115.7 46.1 -67.3 -49.1 10.6 79.5 -28.6 101 100 A M H X S+ 0 0 31 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.911 112.6 51.5 -58.2 -44.4 14.0 79.0 -30.3 102 101 A G H X S+ 0 0 17 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.877 106.9 52.1 -64.1 -39.0 13.1 81.5 -33.0 103 102 A A H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.903 111.3 47.2 -62.4 -42.8 12.2 84.2 -30.5 104 103 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.902 113.5 48.9 -65.2 -44.6 15.5 83.8 -28.7 105 104 A E H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.959 112.6 46.5 -62.7 -48.9 17.5 83.8 -31.9 106 105 A K H X S+ 0 0 121 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.951 114.8 47.6 -61.1 -43.1 15.8 86.9 -33.3 107 106 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.935 114.5 44.9 -62.4 -49.5 16.2 88.8 -29.9 108 107 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 6,-1.0 0.886 114.9 48.6 -61.2 -43.7 19.9 87.8 -29.6 109 108 A K H ><5S+ 0 0 121 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.951 112.3 48.0 -63.4 -49.5 20.6 88.7 -33.2 110 109 A E H 3<5S+ 0 0 118 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.876 112.4 49.0 -59.2 -40.2 18.9 92.0 -33.0 111 110 A L T 3<5S- 0 0 54 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.457 116.8-112.3 -83.3 -2.7 20.6 93.0 -29.8 112 111 A G T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.719 87.3 111.8 84.8 22.7 24.1 92.0 -31.2 113 112 A H < + 0 0 26 -5,-3.0 2,-1.1 -6,-0.2 -4,-0.2 0.517 43.1 99.7-105.7 -7.9 24.7 89.0 -28.9 114 113 A W + 0 0 54 -6,-1.0 2,-0.4 -5,-0.1 24,-0.1 -0.668 41.4 153.5 -88.5 97.3 24.5 86.2 -31.5 115 114 A D > + 0 0 77 -2,-1.1 3,-1.0 22,-0.5 4,-0.1 -0.824 19.9 176.7-131.1 98.7 28.1 85.3 -32.4 116 115 A E G > S+ 0 0 116 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.650 71.7 80.8 -74.1 -13.1 28.7 81.8 -33.6 117 116 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.717 87.6 56.0 -68.2 -18.5 32.4 82.5 -34.1 118 117 A V G < S+ 0 0 76 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.1 0.506 83.3 117.8 -88.9 -3.8 33.1 82.0 -30.4 119 118 A L < - 0 0 35 -3,-1.5 3,-0.1 -4,-0.1 20,-0.1 -0.398 66.4-122.7 -72.1 136.4 31.7 78.5 -30.3 120 119 A L > - 0 0 88 18,-0.3 3,-2.1 1,-0.2 -1,-0.1 -0.274 57.1 -64.1 -63.0 161.3 33.8 75.5 -29.5 121 120 A P T 3 S- 0 0 125 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.272 121.0 -0.1 -58.7 129.9 33.9 72.8 -32.1 122 121 A G T 3 S+ 0 0 87 1,-0.2 -2,-0.1 -3,-0.1 2,-0.0 0.459 102.4 131.4 73.3 4.5 30.5 71.2 -32.8 123 122 A D < - 0 0 20 -3,-2.1 2,-0.3 16,-0.0 -1,-0.2 -0.286 39.4-157.2 -85.5 169.3 28.8 73.4 -30.1 124 123 A E - 0 0 95 1,-0.1 16,-1.7 -3,-0.1 17,-0.2 -0.961 20.4-139.8-142.5 156.9 25.6 75.4 -30.5 125 124 A I S S+ 0 0 2 -2,-0.3 11,-2.4 14,-0.2 2,-0.5 0.916 90.2 48.5 -78.4 -58.0 23.9 78.4 -28.8 126 125 A N E -H 135 0C 11 9,-0.2 2,-0.5 11,-0.1 9,-0.2 -0.798 69.9-170.5 -96.1 123.2 20.3 77.2 -28.7 127 126 A E E -H 134 0C 15 7,-2.7 7,-2.5 -2,-0.5 2,-0.8 -0.952 19.0-141.3-115.6 130.8 19.6 73.7 -27.3 128 127 A N E -H 133 0C 77 -2,-0.5 5,-0.2 5,-0.2 -31,-0.0 -0.799 15.8-176.2 -87.1 108.9 16.3 71.9 -27.4 129 128 A R - 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U 0 425F 0 -12,-2.4 -12,-2.8 -2,-0.4 -52,-0.1 -0.945 55.4 -62.2-157.8 174.6 -19.7 87.7 -23.0 438 184 B V S > S- 0 0 32 -54,-0.4 3,-2.5 -2,-0.3 -14,-0.1 -0.439 77.0 -82.2 -63.7 135.3 -23.0 88.1 -24.8 439 185 B P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.090 113.7 12.6 -46.9 133.0 -25.8 87.5 -22.3 440 186 B G T 3 S+ 0 0 32 -3,-0.1 2,-1.4 1,-0.1 5,-0.4 0.244 88.0 119.5 89.0 -13.3 -26.7 83.9 -21.8 441 187 B Q < + 0 0 30 -3,-2.5 -114,-0.1 4,-0.1 -3,-0.1 -0.263 46.2 110.5 -88.3 52.0 -23.5 82.5 -23.5 442 188 B N S >> S- 0 0 18 -2,-1.4 4,-1.8 -116,-0.1 3,-0.9 -0.136 93.7 -59.7-103.0-163.1 -22.2 80.7 -20.3 443 189 B K H 3> S+ 0 0 2 30,-0.3 4,-2.7 1,-0.2 5,-0.2 0.715 132.0 63.4 -61.9 -20.3 -22.0 77.0 -19.7 444 190 B E H 3> S+ 0 0 81 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.913 105.5 47.1 -63.7 -42.1 -25.7 76.5 -20.1 445 191 B F H <> S+ 0 0 36 -3,-0.9 4,-2.0 -5,-0.4 -2,-0.2 0.939 113.4 49.3 -61.3 -49.8 -25.2 77.7 -23.7 446 192 B G H X S+ 0 0 0 -4,-1.8 4,-2.3 -121,-0.6 -2,-0.2 0.914 111.4 48.2 -55.2 -45.8 -22.2 75.3 -24.0 447 193 B M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.895 108.6 52.6 -67.8 -40.6 -24.1 72.4 -22.6 448 194 B N H X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.919 112.5 46.4 -56.1 -46.2 -27.1 72.9 -24.8 449 195 B H H X S+ 0 0 23 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.882 109.2 55.1 -66.5 -36.0 -24.7 72.9 -27.8 450 196 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.935 107.5 50.5 -58.2 -46.4 -23.0 69.8 -26.4 451 197 B M H X>S+ 0 0 25 -4,-2.6 5,-1.6 1,-0.2 4,-0.6 0.876 114.2 43.8 -61.9 -37.8 -26.3 68.0 -26.3 452 198 B E H <5S+ 0 0 137 -4,-1.8 3,-0.4 3,-0.2 -2,-0.2 0.933 116.4 45.9 -71.1 -50.5 -27.1 68.9 -29.9 453 199 B E H <5S+ 0 0 75 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.865 122.2 34.7 -65.7 -35.0 -23.6 68.1 -31.2 454 200 B L H <5S- 0 0 28 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.453 103.7-126.6-100.8 -0.8 -23.2 64.8 -29.5 455 201 B N T <5 + 0 0 146 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.947 61.8 134.7 52.4 55.5 -26.9 63.8 -29.8 456 202 B V < - 0 0 18 -5,-1.6 -1,-0.2 -6,-0.2 2,-0.2 -0.925 49.3-129.7-127.7 157.8 -27.4 63.1 -26.0 457 203 B T > - 0 0 76 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.553 37.8 -96.6 -97.5 170.8 -30.0 64.0 -23.4 458 204 B K G > S+ 0 0 99 1,-0.3 3,-1.6 -2,-0.2 25,-0.4 0.853 121.3 58.1 -53.9 -40.6 -29.4 65.5 -20.0 459 205 B E G 3 S+ 0 0 106 1,-0.3 -1,-0.3 23,-0.1 22,-0.0 0.622 96.1 64.8 -70.8 -11.9 -29.4 62.2 -18.2 460 206 B E G < S+ 0 0 34 -3,-1.9 -203,-2.8 -204,-0.1 -202,-2.1 0.437 91.3 79.5 -90.2 0.3 -26.6 60.9 -20.4 461 207 B I E < -l 258 0D 0 -3,-1.6 22,-0.5 -4,-0.2 2,-0.5 -0.890 55.6-166.0-113.0 134.1 -24.1 63.5 -19.0 462 208 B L E -lq 259 483D 27 -204,-2.8 -202,-2.8 -2,-0.4 2,-0.3 -0.988 21.3-161.6-113.3 120.4 -22.1 63.4 -15.7 463 209 B Y E -lq 260 484D 0 20,-2.8 22,-3.0 -2,-0.5 2,-0.4 -0.786 8.8-161.6-106.8 148.1 -20.7 66.8 -15.0 464 210 B F E +lq 261 485D 0 -204,-1.8 -202,-2.5 -2,-0.3 2,-0.3 -0.995 23.6 143.6-128.0 134.0 -17.8 67.8 -12.6 465 211 B G E - q 0 486D 0 20,-1.8 22,-2.2 -2,-0.4 3,-0.2 -0.973 45.1-137.7-163.6 165.5 -17.1 71.3 -11.3 466 212 B D S S+ 0 0 43 -202,-0.3 2,-0.1 -2,-0.3 3,-0.1 0.374 96.1 56.9-108.2 -4.3 -15.9 73.3 -8.3 467 213 B M + 0 0 52 1,-0.1 7,-2.4 5,-0.1 8,-0.8 -0.530 62.6 135.3-126.8 66.4 -18.4 76.3 -8.4 468 214 B T + 0 0 12 6,-0.2 -1,-0.1 -3,-0.2 3,-0.1 0.365 36.6 99.2-106.9 3.5 -21.7 74.4 -8.2 469 215 B Q S > S- 0 0 146 1,-0.1 3,-2.6 -3,-0.1 6,-0.4 -0.515 94.1 -75.7 -84.3 154.9 -23.6 76.5 -5.6 470 216 B P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.282 125.7 28.5 -46.8 134.5 -26.2 79.0 -6.7 471 217 B G T 3 S+ 0 0 85 1,-0.4 2,-0.2 -3,-0.1 -3,-0.1 0.151 97.5 113.0 93.8 -21.0 -24.2 82.1 -8.0 472 218 B G S X S- 0 0 9 -3,-2.6 3,-1.6 1,-0.1 -1,-0.4 -0.529 80.9-111.2 -86.5 158.6 -21.2 80.0 -9.0 473 219 B N T 3 S+ 0 0 12 1,-0.3 -30,-0.3 -45,-0.2 -5,-0.1 0.508 115.6 53.1 -73.1 -5.0 -20.2 79.5 -12.6 474 220 B D T >> S+ 0 0 0 -7,-2.4 4,-1.8 -5,-0.2 3,-1.3 0.571 85.0 86.4 -97.2 -11.5 -21.1 75.8 -12.7 475 221 B Y H <> S+ 0 0 68 -3,-1.6 4,-3.2 -8,-0.8 5,-0.2 0.860 76.4 66.4 -58.4 -34.6 -24.6 76.5 -11.4 476 222 B P H 34 S+ 0 0 17 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.869 107.0 43.2 -60.8 -25.6 -26.0 77.1 -14.9 477 223 B V H X4>S+ 0 0 0 -3,-1.3 3,-1.4 2,-0.2 5,-1.2 0.939 113.4 49.4 -76.1 -49.6 -25.2 73.4 -15.6 478 224 B V H ><5S+ 0 0 43 -4,-1.8 3,-2.2 1,-0.3 -3,-0.1 0.923 105.9 59.2 -49.4 -46.0 -26.6 72.2 -12.2 479 225 B Q T 3<5S+ 0 0 118 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.657 94.8 63.9 -62.9 -21.4 -29.7 74.2 -12.9 480 226 B M T < 5S- 0 0 19 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.636 117.6-111.1 -74.5 -16.0 -30.4 72.3 -16.1 481 227 B G T < 5 + 0 0 59 -3,-2.2 2,-0.4 -4,-0.4 -3,-0.2 0.574 67.8 148.3 88.2 16.2 -30.8 69.1 -14.0 482 228 B I < - 0 0 4 -5,-1.2 -1,-0.3 -4,-0.1 -23,-0.1 -0.672 59.0-105.9 -80.3 125.6 -27.6 67.5 -15.3 483 229 B E E -q 462 0D 102 -22,-0.5 -20,-2.8 -2,-0.4 2,-0.4 -0.404 45.2-166.5 -56.5 129.9 -26.1 65.3 -12.6 484 230 B T E -q 463 0D 34 -22,-0.2 2,-0.6 -2,-0.1 -20,-0.2 -0.970 19.9-152.4-132.2 130.5 -23.1 67.1 -11.1 485 231 B I E -q 464 0D 60 -22,-3.0 -20,-1.8 -2,-0.4 2,-0.5 -0.927 21.0-140.9 -97.3 122.5 -20.3 66.0 -8.9 486 232 B T E +q 465 0D 74 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.719 27.3 176.1 -85.1 126.5 -18.9 68.8 -6.8 487 233 B V - 0 0 0 -22,-2.2 -19,-0.1 -2,-0.5 3,-0.1 -0.878 28.3-155.8-127.6 164.7 -15.1 68.7 -6.5 488 234 B R S S- 0 0 183 1,-0.3 2,-0.3 -2,-0.3 -222,-0.1 0.628 73.6 -8.0-112.5 -26.8 -12.5 70.9 -4.9 489 235 B D S > S- 0 0 56 -223,-0.1 4,-1.7 -220,-0.0 3,-0.4 -0.956 78.1 -87.6-162.1 174.6 -9.3 70.1 -6.7 490 236 B W H > S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.768 119.5 62.0 -66.3 -25.0 -7.9 67.7 -9.3 491 237 B K H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 103.2 50.5 -69.5 -34.7 -6.9 65.1 -6.6 492 238 B E H > S+ 0 0 52 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.949 111.6 47.2 -66.6 -46.8 -10.6 64.8 -5.6 493 239 B T H X S+ 0 0 0 -4,-1.7 4,-2.8 -227,-0.2 5,-0.2 0.918 109.2 54.7 -57.6 -42.2 -11.5 64.2 -9.2 494 240 B A H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 107.1 50.7 -58.3 -43.3 -8.6 61.7 -9.6 495 241 B A H X S+ 0 0 65 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.930 111.6 48.5 -61.1 -42.9 -10.0 59.7 -6.6 496 242 B I H X S+ 0 0 42 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.939 112.0 47.7 -61.3 -49.3 -13.4 59.7 -8.2 497 243 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.884 109.5 53.2 -61.5 -41.8 -12.1 58.5 -11.6 498 244 B K H X S+ 0 0 130 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.917 111.0 48.0 -57.5 -45.9 -10.0 55.8 -9.9 499 245 B A H X S+ 0 0 51 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.927 109.2 51.9 -61.1 -46.7 -13.2 54.6 -8.2 500 246 B I H X S+ 0 0 40 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.938 112.4 46.7 -55.7 -48.0 -15.3 54.6 -11.4 501 247 B I H >X S+ 0 0 47 -4,-2.3 3,-1.0 1,-0.2 4,-1.0 0.951 111.7 50.8 -64.0 -44.5 -12.6 52.6 -13.2 502 248 B A H 3< S+ 0 0 57 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.860 109.2 50.9 -57.9 -39.3 -12.4 50.1 -10.3 503 249 B M H 3< S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.619 106.9 54.3 -76.9 -13.2 -16.1 49.6 -10.2 504 250 B E H << S+ 0 0 83 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.624 80.0 113.6 -89.0 -20.4 -16.3 48.9 -13.9 505 251 B E < 0 0 164 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.356 360.0 360.0 -65.7 132.3 -13.7 46.1 -13.9 506 252 B A 0 0 144 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.289 360.0 360.0 -79.1 360.0 -15.2 42.6 -14.7