==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-11 3ZU6 . COMPND 2 MOLECULE: MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.GONCALVES,N.BORGES,A.M.ESTEVES,H.SANTOS,P.M.MATIAS . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 10.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.8 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 1 1 4 0 4 1 5 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 42 0, 0.0 2,-0.4 0, 0.0 196,-0.2 0.000 360.0 360.0 360.0 132.1 38.3 62.3 -26.0 2 2 A I E -a 197 0A 0 194,-1.9 196,-2.6 31,-0.1 2,-0.6 -0.992 360.0-142.6-124.2 137.0 38.2 62.0 -22.2 3 3 A V E -ab 198 35A 0 31,-2.5 33,-3.8 -2,-0.4 2,-0.5 -0.898 12.9-168.6-103.7 120.1 36.3 59.3 -20.5 4 4 A F E +ab 199 36A 0 194,-3.2 196,-2.1 -2,-0.6 2,-0.4 -0.912 17.4 178.7-103.5 129.8 34.5 60.2 -17.2 5 5 A T E -ab 200 37A 0 31,-2.3 33,-2.7 -2,-0.5 196,-0.2 -0.990 30.4-131.2-143.3 136.3 33.1 57.2 -15.3 6 6 A D > - 0 0 0 194,-1.9 5,-1.0 -2,-0.4 33,-0.2 -0.450 17.5-148.7 -68.9 151.9 31.3 56.3 -12.2 7 7 A L T > >S+ 0 0 3 31,-0.3 5,-2.6 3,-0.2 3,-1.3 0.883 70.8 87.3 -92.4 -48.2 32.9 53.5 -10.2 8 8 A D B 3 5S-e 12 0B 55 1,-0.3 194,-0.2 3,-0.1 5,-0.1 -0.325 118.4 -22.4 -54.7 122.1 29.9 51.8 -8.6 9 9 A G T 3 5S+ 0 0 28 3,-0.7 226,-0.7 4,-0.3 -1,-0.3 0.644 132.7 74.3 49.5 17.4 28.4 49.2 -10.9 10 10 A T T < 5S+ 0 0 0 -3,-1.3 229,-0.4 3,-0.1 228,-0.2 0.613 119.1 0.1-115.1 -72.4 30.0 50.9 -13.9 11 11 A L T > + 0 0 26 -6,-0.3 3,-3.3 -2,-0.2 4,-0.6 0.353 35.2 166.3-140.2 9.2 36.3 45.3 -12.6 19 19 A G T >4 S+ 0 0 41 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.343 80.8 34.3 12.4 -95.9 36.9 42.0 -14.5 20 20 A P T 3> S+ 0 0 48 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.613 116.2 56.3 -56.7 -22.1 35.4 42.6 -18.0 21 21 A A H <> S+ 0 0 0 -3,-3.3 4,-2.8 -10,-0.3 5,-0.2 0.561 84.6 86.7 -88.5 -8.9 36.4 46.3 -18.0 22 22 A R H S+ 0 0 87 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.859 113.7 59.5 -72.1 -34.2 41.0 44.9 -21.1 24 24 A A H X S+ 0 0 6 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.903 110.4 42.9 -58.5 -40.7 38.6 47.7 -22.0 25 25 A L H X S+ 0 0 43 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.924 112.0 51.4 -69.9 -46.8 40.8 50.0 -19.8 26 26 A E H X S+ 0 0 131 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 110.4 51.4 -57.2 -40.9 44.1 48.6 -21.0 27 27 A R H X S+ 0 0 152 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.934 109.3 48.6 -58.4 -49.7 42.9 49.2 -24.6 28 28 A L H <>S+ 0 0 6 -4,-1.8 5,-3.1 1,-0.2 -2,-0.2 0.875 110.6 52.0 -58.5 -39.5 41.9 52.8 -23.7 29 29 A R H ><5S+ 0 0 217 -4,-2.7 3,-1.2 3,-0.2 -1,-0.2 0.889 105.6 56.7 -61.3 -40.0 45.4 53.2 -22.2 30 30 A A H 3<5S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.876 109.7 42.2 -60.9 -42.3 46.8 51.8 -25.5 31 31 A L T 3<5S- 0 0 117 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.319 118.1-112.5 -89.8 9.6 45.2 54.6 -27.6 32 32 A G T < 5 + 0 0 48 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.873 59.3 158.6 65.5 39.9 46.1 57.2 -25.0 33 33 A V < - 0 0 23 -5,-3.1 -1,-0.2 -6,-0.1 -31,-0.1 -0.857 38.4-130.7 -97.2 117.5 42.6 58.0 -23.9 34 34 A P - 0 0 29 0, 0.0 -31,-2.5 0, 0.0 2,-0.5 -0.394 18.0-156.0 -65.0 140.5 42.5 59.5 -20.4 35 35 A V E -b 3 0A 44 -33,-0.2 -31,-0.2 -2,-0.1 -33,-0.0 -0.989 6.4-165.9-120.4 129.0 40.0 57.9 -18.0 36 36 A V E -b 4 0A 0 -33,-3.8 -31,-2.3 -2,-0.5 19,-0.2 -0.927 13.4-141.1-120.5 109.9 38.7 60.0 -15.1 37 37 A P E -b 5 0A 6 0, 0.0 19,-2.3 0, 0.0 2,-0.4 -0.484 15.1-170.3 -65.2 135.2 36.8 58.4 -12.2 38 38 A V B +f 56 0C 0 -33,-2.7 -31,-0.3 17,-0.2 2,-0.3 -0.967 27.4 154.2-130.5 107.9 33.9 60.5 -11.0 39 39 A T - 0 0 4 17,-2.3 20,-2.4 -2,-0.4 21,-0.5 -0.833 60.7-129.0-142.2 162.1 32.6 59.0 -7.8 40 40 A A S S+ 0 0 20 18,-0.3 98,-0.1 -2,-0.3 17,-0.1 0.528 81.7 107.3 -85.2 -12.9 30.8 59.4 -4.4 41 41 A K S S- 0 0 52 15,-0.2 17,-2.5 1,-0.1 -2,-0.2 -0.212 74.9-110.1 -64.6 156.4 33.8 57.7 -2.8 42 42 A T > - 0 0 0 15,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.389 28.2-108.2 -79.8 162.2 36.4 59.5 -0.7 43 43 A R H > S+ 0 0 41 91,-0.2 4,-3.0 1,-0.2 5,-0.2 0.904 122.0 55.1 -56.4 -41.9 40.0 60.1 -1.9 44 44 A K H > S+ 0 0 93 90,-0.4 4,-1.4 87,-0.3 -1,-0.2 0.904 109.3 47.7 -57.7 -40.0 41.2 57.4 0.7 45 45 A E H > S+ 0 0 30 86,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.892 112.4 48.6 -65.7 -42.3 38.8 55.0 -0.9 46 46 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.6 0.930 109.5 51.7 -68.2 -42.8 39.9 55.8 -4.4 47 47 A E H ><5S+ 0 0 59 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.851 104.3 57.3 -60.4 -35.3 43.6 55.5 -3.5 48 48 A A H 3<5S+ 0 0 57 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.805 99.4 59.5 -70.6 -24.5 43.0 52.1 -2.0 49 49 A L T <<5S- 0 0 68 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.505 118.7-116.7 -75.5 -3.6 41.6 51.1 -5.5 50 50 A G T < 5 + 0 0 55 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.724 61.3 155.9 77.6 22.0 45.1 52.0 -6.8 51 51 A L < - 0 0 54 -5,-1.6 -1,-0.2 1,-0.0 -2,-0.1 -0.599 32.6-141.7 -87.6 143.5 43.7 54.8 -8.9 52 52 A E - 0 0 144 -2,-0.3 -1,-0.0 2,-0.1 -5,-0.0 -0.716 34.1 -70.6-101.7 149.3 45.8 57.8 -10.1 53 53 A P S S+ 0 0 22 0, 0.0 12,-0.2 0, 0.0 2,-0.1 -0.410 91.8 79.0 -69.7 159.1 44.7 61.4 -10.4 54 54 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.345 72.3 132.3 -76.3 145.3 43.1 63.1 -12.0 55 55 A F E - G 0 64C 0 9,-1.7 9,-2.8 -19,-0.2 2,-0.5 -0.973 48.2-131.4-154.5 164.6 39.9 62.0 -10.3 56 56 A I E -fG 38 63C 0 -19,-2.3 -17,-2.3 -2,-0.3 3,-0.2 -0.979 27.7-170.6-125.7 121.6 36.8 63.5 -8.7 57 57 A V E >>> + G 0 62C 0 5,-2.2 5,-1.4 -2,-0.5 3,-1.3 -0.658 54.4 25.9-114.2 169.0 35.6 62.4 -5.3 58 58 A E G >45S- 0 0 0 -17,-2.5 3,-1.3 1,-0.3 -18,-0.3 0.869 126.9 -56.2 46.5 50.7 32.6 62.9 -3.1 59 59 A N G 345S- 0 0 12 -20,-2.4 -1,-0.3 1,-0.3 -19,-0.2 0.733 112.8 -41.0 61.8 25.3 30.1 63.6 -5.8 60 60 A G G <45S+ 0 0 0 -3,-1.3 116,-0.4 -21,-0.5 -1,-0.3 0.505 105.9 121.4 100.7 5.9 32.0 66.5 -7.2 61 61 A G T <<5S+ 0 0 0 -3,-1.3 24,-3.0 -4,-0.7 25,-1.6 0.851 77.9 26.6 -65.9 -36.4 33.2 68.1 -4.0 62 62 A G E < -GH 57 84C 0 -5,-1.4 -5,-2.2 22,-0.2 2,-0.6 -0.989 59.9-156.1-136.4 136.2 36.8 67.8 -4.8 63 63 A L E -GH 56 83C 0 20,-2.9 20,-3.3 -2,-0.4 2,-0.6 -0.928 17.7-157.9-106.4 115.4 39.0 67.6 -7.9 64 64 A Y E -GH 55 82C 0 -9,-2.8 -9,-1.7 -2,-0.6 18,-0.2 -0.872 13.2-178.5 -98.9 121.3 42.3 65.8 -7.3 65 65 A L E - H 0 81C 0 16,-3.4 16,-2.8 -2,-0.6 -2,-0.0 -0.834 37.6 -94.1-110.9 152.7 45.2 66.6 -9.8 66 66 A P E > - H 0 80C 24 0, 0.0 3,-2.0 0, 0.0 14,-0.3 -0.401 40.0-117.5 -54.5 139.4 48.7 65.3 -10.0 67 67 A R T 3 S+ 0 0 115 12,-2.5 13,-0.1 1,-0.3 12,-0.1 0.840 115.7 49.1 -50.0 -36.7 51.0 67.7 -8.1 68 68 A D T 3 S+ 0 0 140 11,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.125 77.1 152.2 -93.5 22.6 52.8 68.4 -11.5 69 69 A W < - 0 0 34 -3,-2.0 4,-0.1 1,-0.1 -4,-0.0 -0.252 52.2-126.3 -51.7 135.3 49.7 69.0 -13.6 70 70 A P S S+ 0 0 101 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.660 95.6 67.3 -64.1 -16.9 50.6 71.4 -16.5 71 71 A V S S- 0 0 44 116,-0.2 2,-0.5 2,-0.1 -2,-0.1 -0.927 89.3-128.4-106.6 117.8 47.8 73.8 -15.6 72 72 A R + 0 0 209 -2,-0.6 2,-0.3 -4,-0.1 -4,-0.0 -0.476 53.8 131.5 -67.5 116.3 48.3 75.5 -12.2 73 73 A A + 0 0 14 -2,-0.5 -8,-0.1 -4,-0.1 -4,-0.1 -0.966 40.6 17.8-162.0 149.5 45.2 75.1 -10.1 74 74 A G S S- 0 0 33 -2,-0.3 9,-0.3 7,-0.1 -1,-0.1 -0.058 87.7 -59.1 80.8 176.9 44.2 74.1 -6.7 75 75 A R E -I 82 0C 149 7,-2.6 7,-2.7 1,-0.0 5,-0.0 -0.855 53.5-109.4-106.0 134.7 46.2 73.8 -3.5 76 76 A P E +I 81 0C 50 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.329 38.9 172.0 -61.5 136.2 49.3 71.6 -3.1 77 77 A K E > -I 80 0C 47 3,-3.2 3,-2.6 1,-0.3 2,-0.2 -0.742 58.4 -69.6-154.0 92.2 48.7 68.6 -0.9 78 78 A G T 3 S- 0 0 57 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.355 119.9 -8.0 54.2-120.1 51.5 66.1 -1.0 79 79 A G T 3 S+ 0 0 57 -2,-0.2 -12,-2.5 -3,-0.1 -1,-0.3 0.396 130.3 69.6 -85.1 3.1 51.5 64.5 -4.3 80 80 A Y E < -HI 66 77C 31 -3,-2.6 -3,-3.2 -14,-0.3 2,-0.4 -0.769 64.9-144.7-114.6 159.2 48.2 66.1 -5.3 81 81 A R E -HI 65 76C 32 -16,-2.8 -16,-3.4 -2,-0.3 2,-0.6 -0.986 28.7-150.0-109.4 137.4 46.8 69.5 -6.1 82 82 A V E -HI 64 75C 6 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.8 -0.921 14.7-164.0-117.1 122.9 43.3 69.8 -4.8 83 83 A V E -H 63 0C 9 -20,-3.3 -20,-2.9 -2,-0.6 2,-0.6 -0.892 16.7-155.3 -97.9 107.3 40.5 71.9 -6.3 84 84 A S E +H 62 0C 74 -2,-0.8 -22,-0.2 -22,-0.2 -23,-0.1 -0.741 23.5 166.2 -85.4 121.0 37.8 72.2 -3.6 85 85 A L + 0 0 18 -24,-3.0 2,-0.2 -2,-0.6 -23,-0.2 0.635 58.7 53.9-105.4 -18.4 34.4 72.9 -5.1 86 86 A A S S- 0 0 13 -25,-1.6 88,-0.2 1,-0.1 3,-0.1 -0.673 92.8 -85.4-116.9 165.0 32.3 72.2 -2.1 87 87 A W - 0 0 57 86,-2.2 86,-0.3 -2,-0.2 -1,-0.1 -0.365 59.1 -95.8 -57.8 148.5 32.0 73.4 1.6 88 88 A P >> - 0 0 42 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.375 30.3-112.2 -70.6 147.3 34.2 71.4 3.9 89 89 A Y H 3> S+ 0 0 38 47,-2.7 4,-2.8 1,-0.3 5,-0.2 0.820 115.8 57.3 -43.0 -44.3 32.8 68.4 5.8 90 90 A R H 3> S+ 0 0 192 46,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.849 107.4 47.7 -65.2 -34.4 33.1 70.2 9.2 91 91 A K H <> S+ 0 0 81 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.877 111.1 50.7 -72.3 -38.8 30.9 73.1 7.9 92 92 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 110.3 50.5 -60.7 -42.8 28.4 70.6 6.5 93 93 A R H X S+ 0 0 32 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.875 108.0 52.8 -65.7 -35.5 28.3 68.9 9.9 94 94 A A H X S+ 0 0 36 -4,-1.6 4,-1.0 1,-0.2 3,-0.4 0.926 110.5 47.3 -65.7 -43.1 27.8 72.2 11.7 95 95 A R H X S+ 0 0 74 -4,-2.1 4,-1.9 1,-0.2 3,-0.3 0.846 103.4 62.3 -66.7 -32.1 24.8 73.0 9.5 96 96 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.855 98.6 57.1 -60.8 -32.9 23.4 69.5 10.0 97 97 A R H X S+ 0 0 110 -4,-1.3 4,-1.3 -3,-0.4 -1,-0.2 0.870 105.5 49.5 -69.4 -31.8 23.1 70.4 13.7 98 98 A E H X S+ 0 0 109 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.892 108.6 53.7 -66.6 -39.4 21.0 73.4 12.9 99 99 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.869 103.2 56.8 -64.4 -37.2 18.8 71.2 10.7 100 100 A E H X>S+ 0 0 44 -4,-2.0 5,-1.3 2,-0.2 4,-1.2 0.890 108.0 48.0 -58.2 -43.4 18.3 68.8 13.6 101 101 A A H <5S+ 0 0 77 -4,-1.3 3,-0.4 2,-0.2 -2,-0.2 0.952 113.6 45.5 -64.0 -51.9 16.9 71.6 15.7 102 102 A L H <5S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 117.2 45.4 -56.8 -41.7 14.6 72.8 12.9 103 103 A A H <5S- 0 0 20 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.681 99.6-140.7 -76.6 -18.9 13.5 69.2 12.3 104 104 A G T <5S+ 0 0 57 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.733 71.8 85.5 64.5 23.5 13.1 68.6 16.0 105 105 A R S -J 141 0D 0 -2,-0.3 3,-2.1 32,-0.3 4,-0.4 -0.844 56.1 -79.5-143.9 177.9 25.3 60.4 9.4 110 110 A Y G > S+ 0 0 15 30,-1.8 3,-1.4 1,-0.3 8,-0.1 0.813 122.8 65.8 -53.3 -36.4 28.7 58.6 9.1 111 111 A G G 3 S+ 0 0 22 1,-0.3 -1,-0.3 29,-0.2 257,-0.1 0.727 101.8 48.6 -60.4 -23.2 30.3 61.2 11.3 112 112 A D G < S+ 0 0 3 -3,-2.1 253,-2.5 255,-0.1 2,-0.3 0.512 103.3 77.9 -88.5 -8.9 28.1 59.9 14.3 113 113 A L B < S-M 364 0E 0 -3,-1.4 251,-0.2 -4,-0.4 250,-0.1 -0.734 78.1-116.4-112.2 152.5 28.9 56.2 13.7 114 114 A T > - 0 0 25 249,-2.5 4,-2.5 -2,-0.3 5,-0.2 -0.313 33.5-111.7 -73.8 162.9 31.8 53.9 14.5 115 115 A A H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 120.8 55.9 -65.2 -32.7 33.7 52.3 11.6 116 116 A E H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 108.2 47.2 -66.9 -37.5 32.3 49.0 12.7 117 117 A A H > S+ 0 0 0 246,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.930 112.3 49.5 -66.8 -47.9 28.7 50.4 12.4 118 118 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 6,-0.4 0.917 110.7 51.4 -55.4 -43.9 29.5 51.9 9.0 119 119 A A H X>S+ 0 0 11 -4,-2.8 4,-1.8 1,-0.2 5,-0.8 0.929 111.3 45.7 -60.4 -47.8 30.9 48.5 7.9 120 120 A R H <5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.3 50.5 -63.4 -38.7 27.8 46.6 9.0 121 121 A L H <5S+ 0 0 21 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 121.5 30.8 -63.0 -38.5 25.6 49.3 7.3 122 122 A T H <5S- 0 0 16 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.488 103.6-118.0-104.9 -9.1 27.4 49.2 4.0 123 123 A G T <5S+ 0 0 72 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.578 72.7 130.0 76.9 10.4 28.6 45.6 3.8 124 124 A L < - 0 0 70 -5,-0.8 -1,-0.3 -6,-0.4 2,-0.1 -0.383 63.7 -99.9 -86.7 171.3 32.2 46.8 3.7 125 125 A S > - 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0 0 25 -3,-1.0 6,-0.1 1,-0.1 -3,-0.1 -0.552 59.5-143.7 -76.8 132.3 20.2 39.8 52.1 440 189 B P S S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.580 91.1 54.6 -77.3 -5.9 22.1 39.0 55.3 441 190 B D > - 0 0 70 1,-0.1 4,-1.6 2,-0.0 3,-0.3 -0.820 66.4-170.6-125.6 94.5 19.2 40.0 57.5 442 191 B P T 4 S+ 0 0 104 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.842 85.7 53.8 -52.4 -41.5 16.1 38.1 56.5 443 192 B E T >> S+ 0 0 118 1,-0.2 3,-1.6 2,-0.2 4,-0.5 0.941 107.2 49.8 -58.9 -49.9 13.8 40.2 58.7 444 193 B E T 34 S+ 0 0 52 -3,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.815 112.6 47.9 -60.3 -31.2 14.9 43.5 57.2 445 194 B A T 3< S+ 0 0 6 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.405 86.9 90.6 -93.5 2.4 14.4 42.1 53.7 446 195 B R T <4 S+ 0 0 169 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.2 0.894 88.3 46.8 -62.8 -40.4 10.9 40.7 54.5 447 196 B F S < S- 0 0 62 -4,-0.5 -194,-1.8 -3,-0.4 2,-0.4 -0.903 73.9-174.8-114.4 111.8 9.2 44.0 53.5 448 197 B A E -n 253 0F 0 -2,-0.6 18,-1.9 -196,-0.2 17,-1.8 -0.832 8.3-162.5-108.6 138.1 10.3 45.6 50.2 449 198 B V E -np 254 466F 0 -196,-2.8 -194,-3.3 -2,-0.4 2,-0.4 -0.936 7.2-162.6-116.9 140.6 9.2 48.9 48.7 450 199 B G E -np 255 467F 0 16,-2.8 18,-3.0 -2,-0.4 2,-0.4 -0.988 6.6-174.1-129.5 129.2 9.6 49.7 45.1 451 200 B L E +np 256 468F 0 -196,-2.1 -194,-2.2 -2,-0.4 2,-0.3 -0.980 20.9 143.1-121.7 133.3 9.5 53.2 43.4 452 201 B G E - p 0 469F 0 16,-1.9 18,-2.8 -2,-0.4 19,-0.4 -0.967 37.6-154.6-159.8 174.0 9.6 53.8 39.7 453 202 B D + 0 0 34 -2,-0.3 20,-0.3 16,-0.2 19,-0.3 0.509 67.5 46.2-136.0 -11.9 8.4 55.8 36.8 454 203 B S S > S- 0 0 17 17,-0.1 3,-2.2 -38,-0.1 4,-0.3 -0.707 88.1 -84.4-133.5-174.7 8.6 53.8 33.5 455 204 B L G > S+ 0 0 70 1,-0.3 3,-1.8 -2,-0.2 -39,-0.2 0.850 119.1 62.0 -57.0 -38.3 7.9 50.5 31.7 456 205 B N G 3 S+ 0 0 6 -41,-1.6 -28,-0.4 1,-0.3 4,-0.3 0.663 97.5 61.8 -67.4 -10.2 11.1 48.9 32.9 457 206 B D G <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.517 76.6 87.6 -92.4 -6.6 9.8 49.3 36.5 458 207 B L H <> S+ 0 0 58 -3,-1.8 4,-1.5 -4,-0.3 5,-0.2 0.932 89.8 48.5 -57.5 -48.6 6.7 47.1 36.1 459 208 B P H > S+ 0 0 20 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.848 109.5 55.1 -62.1 -29.8 8.7 43.9 37.0 460 209 B L H >> S+ 0 0 0 -4,-0.3 3,-0.9 1,-0.2 4,-0.8 0.963 105.1 52.0 -63.1 -48.3 10.0 45.9 40.0 461 210 B F H 3< S+ 0 0 19 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.779 109.9 49.2 -61.7 -27.9 6.5 46.6 41.1 462 211 B R H 3< S+ 0 0 174 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.754 108.1 54.8 -79.9 -21.6 5.7 42.9 40.9 463 212 B A H << S+ 0 0 25 -4,-1.2 2,-0.2 -3,-0.9 -2,-0.2 0.538 102.1 66.3 -87.3 -8.7 8.8 42.0 42.9 464 213 B V S < S- 0 0 17 -4,-0.8 3,-0.2 -3,-0.3 -15,-0.2 -0.657 74.2-129.8-115.2 170.1 8.1 44.2 46.0 465 214 B D S S+ 0 0 90 -17,-1.8 2,-0.4 1,-0.3 -16,-0.2 0.753 99.7 31.7 -90.4 -26.5 5.5 44.4 48.8 466 215 B L E S-p 449 0F 19 -18,-1.9 -16,-2.8 2,-0.0 2,-0.4 -0.930 74.5-166.8-134.1 112.2 4.6 48.1 48.4 467 216 B A E -p 450 0F 17 -2,-0.4 13,-1.2 -18,-0.2 2,-0.4 -0.820 3.4-172.5-102.3 134.0 4.8 49.6 44.9 468 217 B V E -pq 451 480F 0 -18,-3.0 -16,-1.9 -2,-0.4 2,-0.5 -0.989 11.3-150.9-128.2 126.7 4.8 53.4 44.3 469 218 B Y E +pq 452 481F 27 11,-3.2 13,-0.8 -2,-0.4 -16,-0.2 -0.832 18.3 172.0 -95.2 126.5 4.6 55.0 40.8 470 219 B V + 0 0 2 -18,-2.8 16,-2.6 -2,-0.5 -17,-0.2 0.000 41.9 115.8-120.7 25.7 6.2 58.5 40.4 471 220 B G S S- 0 0 11 -19,-0.4 11,-0.2 14,-0.2 -17,-0.1 -0.252 74.9-112.6 -86.8-180.0 5.8 58.8 36.6 472 221 B R S S+ 0 0 207 -19,-0.3 -1,-0.1 2,-0.1 -19,-0.0 0.686 92.9 71.4 -92.5 -16.6 3.8 61.3 34.7 473 222 B G S S- 0 0 51 -20,-0.3 -19,-0.0 1,-0.2 -2,-0.0 0.231 101.8 -73.0 -72.5-158.3 1.2 58.9 33.3 474 223 B D - 0 0 136 1,-0.1 -1,-0.2 7,-0.0 -2,-0.1 -0.811 63.7 -91.6 -97.1 149.1 -1.5 57.1 35.2 475 224 B P - 0 0 53 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.173 41.6-100.4 -64.8 152.8 -0.3 54.3 37.5 476 225 B P S > S- 0 0 33 0, 0.0 3,-2.0 0, 0.0 -7,-0.1 -0.310 71.4 -52.2 -61.7 156.7 -0.0 50.7 36.4 477 226 B E T 3 S- 0 0 196 1,-0.3 0, 0.0 -2,-0.0 0, 0.0 0.009 122.9 -13.1 -40.8 112.1 -2.9 48.4 37.5 478 227 B G T 3 S+ 0 0 91 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.795 96.7 138.8 65.7 30.9 -3.4 48.7 41.3 479 228 B V < - 0 0 26 -3,-2.0 -1,-0.2 -13,-0.1 -11,-0.1 -0.903 56.5-113.2-106.5 136.4 -0.1 50.6 42.0 480 229 B L E -q 468 0F 71 -13,-1.2 -11,-3.2 -2,-0.4 2,-0.2 -0.361 37.1-162.6 -63.2 144.0 -0.1 53.5 44.5 481 230 B A E -q 469 0F 36 -13,-0.2 -11,-0.2 -6,-0.1 -1,-0.0 -0.756 9.2-128.5-127.0 174.3 0.7 56.9 43.0 482 231 B T - 0 0 25 -13,-0.8 7,-0.1 -2,-0.2 8,-0.1 -0.866 22.2-118.7-125.8 156.8 1.8 60.4 44.1 483 232 B P S S+ 0 0 99 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.833 102.7 31.5 -63.5 -35.4 0.5 64.0 43.6 484 233 B A S S- 0 0 30 4,-0.1 8,-0.1 2,-0.1 2,-0.1 -0.949 84.0-127.0-122.5 147.8 3.7 65.1 41.9 485 234 B P >> + 0 0 38 0, 0.0 3,-0.6 0, 0.0 4,-0.5 -0.331 68.2 17.4 -81.2 170.8 6.0 63.0 39.7 486 235 B G H >> S- 0 0 10 -16,-2.6 4,-1.9 -226,-0.4 3,-0.6 -0.252 122.9 -15.8 77.1-156.2 9.8 62.6 40.1 487 236 B P H 3> S+ 0 0 17 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.812 135.5 57.3 -55.2 -36.2 11.8 63.4 43.3 488 237 B E H <> S+ 0 0 95 -3,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.870 108.4 49.3 -64.1 -31.2 8.9 65.4 44.7 489 238 B G H S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-1.7 0.902 111.4 48.9 -63.8 -43.5 6.0 58.7 49.3 494 243 B V H <>S+ 0 0 0 -4,-2.3 5,-2.4 3,-0.2 4,-0.2 0.936 118.2 39.3 -61.1 -47.4 8.7 58.6 52.0 495 244 B E H <5S+ 0 0 71 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.882 128.7 29.5 -73.9 -36.2 6.9 61.1 54.3 496 245 B R H <5S+ 0 0 150 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.688 132.0 24.9-101.6 -23.9 3.3 59.8 53.7 497 246 B Y T X5S+ 0 0 33 -4,-2.4 4,-0.6 -5,-0.4 -3,-0.2 0.783 125.1 35.3-108.1 -41.1 3.7 56.1 53.0 498 247 B L H >>>4 S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.911 108.3 48.7 -54.2 -43.2 4.0 55.8 59.2 501 250 B R H << S+ 0 0 134 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.630 109.9 53.6 -69.4 -16.3 4.9 52.1 58.6 502 251 B L H << 0 0 66 -3,-1.2 -1,-0.2 -4,-1.0 -3,-0.1 0.427 360.0 360.0 -99.2 -1.2 8.2 52.6 60.4 503 252 B S << 0 0 137 -3,-1.1 0, 0.0 -4,-0.6 0, 0.0 -0.440 360.0 360.0-106.8 360.0 6.8 54.1 63.6