==== 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 01-AUG-11 3ZWK . COMPND 2 MOLECULE: MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.GONCALVES,A.M.ESTEVES,H.SANTOS,N.BORGES,P.M.MATIAS . 504 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.9 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 . 1 0.2 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 . 29 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 4.0 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 4 2 2 0 6 1 1 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 . 3 2 4 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 24 0, 0.0 2,-0.4 0, 0.0 196,-0.2 0.000 360.0 360.0 360.0 124.1 38.7 62.5 -26.3 2 2 A I E -a 197 0A 0 194,-1.9 196,-3.3 31,-0.1 2,-0.7 -0.990 360.0-146.9-116.7 131.0 38.4 62.1 -22.5 3 3 A V E -ab 198 35A 0 31,-2.7 33,-3.1 -2,-0.4 2,-0.5 -0.870 11.1-166.6 -99.8 113.7 36.5 59.2 -21.1 4 4 A F E -ab 199 36A 0 194,-3.7 196,-2.5 -2,-0.7 2,-0.4 -0.869 15.8-173.7 -96.8 128.8 34.8 60.0 -17.8 5 5 A T E -ab 200 37A 0 31,-2.4 33,-2.9 -2,-0.5 196,-0.2 -0.970 27.1-136.7-134.4 134.4 33.6 56.9 -16.0 6 6 A D > - 0 0 14 194,-2.6 5,-0.8 -2,-0.4 33,-0.2 -0.447 23.7-150.0 -65.9 152.5 31.5 55.9 -13.0 7 7 A L T >>> + 0 0 2 31,-0.4 5,-2.3 3,-0.2 3,-1.8 0.903 67.8 60.9 -93.8 -76.5 33.2 53.0 -11.1 8 8 A D B 345S+e 12 0B 77 1,-0.3 194,-0.3 3,-0.2 5,-0.1 -0.358 121.9 5.2 -62.6 128.0 30.8 50.7 -9.2 9 9 A G T 345S+ 0 0 16 3,-0.8 226,-0.5 4,-0.3 -1,-0.3 0.282 135.7 51.4 82.8 -11.1 28.4 49.0 -11.6 10 10 A T T <45S+ 0 0 0 -3,-1.8 229,-0.4 225,-0.1 -3,-0.2 0.681 123.7 11.9-116.0 -72.4 30.1 50.4 -14.6 11 11 A L T < - 0 0 45 4,-2.7 3,-1.9 -2,-0.3 -4,-0.3 -0.171 45.8 -79.0 -87.6-171.3 31.6 44.3 -11.4 14 14 A E T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.584 133.5 50.8 -69.2 -8.6 29.5 43.3 -8.4 15 15 A R T 3 S- 0 0 232 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.401 121.6-105.0-103.0 -1.6 32.7 42.0 -6.8 16 16 A G S < S+ 0 0 29 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.623 81.9 128.0 84.4 15.8 34.6 45.2 -7.3 17 17 A E - 0 0 99 1,-0.1 -4,-2.7 0, 0.0 -1,-0.3 -0.459 64.8-126.8-101.2 173.5 36.6 43.6 -10.1 18 18 A L > + 0 0 37 -6,-0.2 3,-2.4 1,-0.2 4,-0.1 0.819 39.1 167.9 -91.4 -33.9 37.2 44.7 -13.7 19 19 A G T > S- 0 0 38 1,-0.3 3,-1.3 2,-0.2 4,-0.4 -0.317 75.8 -5.6 56.0-129.2 36.1 41.6 -15.6 20 20 A P T 3> S+ 0 0 41 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.531 126.2 74.5 -74.1 -4.9 35.9 42.3 -19.4 21 21 A A H <> S+ 0 0 0 -3,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.649 80.1 74.5 -80.4 -14.1 36.6 46.0 -18.7 22 22 A R H <> S+ 0 0 110 -3,-1.3 4,-2.1 2,-0.2 5,-0.2 0.962 97.4 42.8 -62.4 -55.2 40.2 45.2 -18.1 23 23 A E H > S+ 0 0 120 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.862 113.7 54.9 -58.9 -36.0 41.1 44.6 -21.8 24 24 A A H X S+ 0 0 7 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.897 107.6 47.8 -66.3 -42.7 39.1 47.7 -22.7 25 25 A L H X S+ 0 0 39 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.905 111.0 51.3 -63.8 -41.4 41.0 50.0 -20.3 26 26 A E H X S+ 0 0 122 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.929 108.8 52.3 -61.2 -45.2 44.3 48.7 -21.6 27 27 A R H X S+ 0 0 120 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.940 111.3 44.9 -56.6 -52.3 43.2 49.4 -25.1 28 28 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-0.3 0.939 113.1 52.0 -56.3 -47.3 42.3 53.0 -24.3 29 29 A R H ><5S+ 0 0 210 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.917 107.3 52.6 -55.8 -45.0 45.5 53.4 -22.4 30 30 A A H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.8 49.3 -61.8 -34.8 47.5 52.1 -25.4 31 31 A L T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.339 119.0-113.3 -85.7 7.7 45.8 54.6 -27.7 32 32 A G T < 5 + 0 0 52 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.816 62.8 154.6 64.4 32.0 46.7 57.4 -25.2 33 33 A V < - 0 0 11 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.827 41.2-130.8 -91.7 119.0 43.0 58.0 -24.3 34 34 A P - 0 0 30 0, 0.0 -31,-2.7 0, 0.0 2,-0.5 -0.472 17.7-158.0 -72.9 140.7 42.7 59.4 -20.8 35 35 A V E -b 3 0A 41 -33,-0.2 -31,-0.2 -2,-0.2 -33,-0.0 -0.983 4.6-164.2-121.7 126.3 40.2 57.8 -18.4 36 36 A V E -b 4 0A 1 -33,-3.1 -31,-2.4 -2,-0.5 19,-0.2 -0.934 14.1-137.7-119.2 111.5 38.9 59.8 -15.5 37 37 A P E -b 5 0A 8 0, 0.0 19,-2.6 0, 0.0 2,-0.4 -0.448 16.8-172.0 -65.3 136.4 37.1 58.0 -12.6 38 38 A V B +f 56 0C 0 -33,-2.9 -31,-0.4 17,-0.2 2,-0.3 -0.950 25.8 157.3-130.4 110.3 34.0 59.9 -11.4 39 39 A T - 0 0 4 17,-2.5 20,-2.1 -2,-0.4 21,-0.5 -0.862 57.9-131.4-139.2 159.7 32.8 58.3 -8.3 40 40 A A S S+ 0 0 40 -2,-0.3 98,-0.1 18,-0.3 17,-0.1 0.516 81.4 106.0 -84.0 -7.8 30.8 58.6 -5.1 41 41 A K S S- 0 0 30 15,-0.2 17,-2.7 1,-0.1 -2,-0.2 -0.237 75.4-108.0 -70.6 161.4 33.8 57.0 -3.3 42 42 A T > - 0 0 0 15,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.384 30.6-106.4 -80.3 163.5 36.2 58.8 -1.1 43 43 A R H > S+ 0 0 37 91,-0.3 4,-2.7 1,-0.2 5,-0.2 0.886 122.2 55.8 -55.0 -40.0 39.8 59.6 -2.1 44 44 A K H > S+ 0 0 94 90,-0.4 4,-1.5 87,-0.3 -1,-0.2 0.877 108.1 47.1 -62.5 -38.1 40.9 56.8 0.4 45 45 A E H > S+ 0 0 28 86,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.902 111.3 51.1 -69.3 -41.5 38.7 54.3 -1.4 46 46 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-0.6 0.932 108.9 51.4 -62.5 -42.9 40.0 55.3 -4.8 47 47 A E H ><5S+ 0 0 67 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.870 104.0 57.5 -61.9 -34.3 43.6 55.0 -3.6 48 48 A A H 3<5S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.787 102.2 55.1 -69.8 -26.4 42.8 51.4 -2.4 49 49 A L T <<5S- 0 0 75 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.453 117.3-120.4 -77.1 -3.7 41.7 50.5 -5.9 50 50 A G T < 5 + 0 0 54 -3,-1.5 2,-0.2 -4,-0.2 -3,-0.2 0.702 57.1 157.7 72.9 20.2 45.1 51.8 -7.0 51 51 A L < - 0 0 52 -5,-1.8 -1,-0.2 1,-0.0 -2,-0.1 -0.570 31.2-141.3 -81.4 141.5 43.7 54.5 -9.3 52 52 A E - 0 0 152 -2,-0.2 -1,-0.0 2,-0.1 -5,-0.0 -0.703 34.3 -64.2 -98.8 153.2 45.9 57.5 -10.2 53 53 A P S S+ 0 0 19 0, 0.0 12,-0.2 0, 0.0 2,-0.1 -0.303 93.7 74.5 -67.2 157.8 44.8 61.1 -10.5 54 54 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.387 73.4 134.1 -77.5 143.4 43.1 62.9 -12.1 55 55 A F E - G 0 64C 0 9,-1.8 9,-2.9 -19,-0.2 2,-0.5 -0.977 48.3-130.1-151.7 160.4 39.9 61.6 -10.5 56 56 A I E -fG 38 63C 0 -19,-2.6 -17,-2.5 -2,-0.3 3,-0.2 -0.966 28.3-165.9-116.9 124.7 36.7 63.0 -9.1 57 57 A V E >>> + G 0 62C 0 5,-2.4 5,-1.5 -2,-0.5 3,-1.2 -0.622 54.5 19.4-110.8 166.9 35.5 61.9 -5.6 58 58 A E G >45S- 0 0 0 -17,-2.7 3,-1.3 1,-0.3 -18,-0.3 0.860 127.1 -54.0 43.3 54.3 32.4 62.1 -3.5 59 59 A N G 345S- 0 0 23 -20,-2.1 118,-0.3 1,-0.3 -1,-0.3 0.751 114.6 -40.1 61.2 28.7 29.9 62.8 -6.3 60 60 A G G <45S+ 0 0 0 -3,-1.2 116,-0.6 -21,-0.5 -1,-0.3 0.461 105.9 123.8 99.3 6.1 31.8 65.8 -7.6 61 61 A G T <<5S+ 0 0 0 -3,-1.3 24,-2.2 -4,-1.0 25,-1.7 0.882 78.2 19.6 -65.3 -37.3 32.8 67.2 -4.2 62 62 A G E < -GH 57 84C 0 -5,-1.5 -5,-2.4 22,-0.2 2,-0.6 -0.992 60.1-152.5-140.7 142.3 36.5 67.1 -5.0 63 63 A L E -GH 56 83C 0 20,-2.9 20,-3.1 -2,-0.4 2,-0.6 -0.953 17.6-157.3-113.9 118.4 38.7 67.0 -8.0 64 64 A Y E -GH 55 82C 0 -9,-2.9 -9,-1.8 -2,-0.6 18,-0.2 -0.872 11.9-175.9-101.3 122.9 42.1 65.4 -7.5 65 65 A L E - H 0 81C 0 16,-3.0 16,-2.1 -2,-0.6 2,-0.1 -0.805 35.5 -97.4-109.4 152.9 45.0 66.3 -9.8 66 66 A P E > - H 0 80C 21 0, 0.0 3,-1.8 0, 0.0 14,-0.3 -0.447 39.2-115.7 -58.6 145.8 48.5 65.0 -10.0 67 67 A R T 3 S+ 0 0 127 12,-2.4 13,-0.2 1,-0.3 12,-0.1 0.849 115.6 49.2 -51.7 -37.6 50.9 67.3 -8.1 68 68 A D T 3 S+ 0 0 135 11,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.151 75.7 152.0 -93.7 20.9 52.7 68.1 -11.4 69 69 A W < - 0 0 34 -3,-1.8 4,-0.1 1,-0.2 -4,-0.0 -0.252 51.1-128.7 -49.7 133.8 49.5 68.8 -13.5 70 70 A P S S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.624 94.6 67.0 -67.6 -13.4 50.5 71.3 -16.3 71 71 A V S S- 0 0 45 116,-0.2 2,-0.5 2,-0.1 -2,-0.1 -0.950 89.5-129.1-108.0 122.6 47.7 73.6 -15.4 72 72 A R + 0 0 211 -2,-0.5 2,-0.3 -4,-0.1 -4,-0.0 -0.563 52.6 128.0 -76.7 119.3 48.1 75.2 -12.0 73 73 A A + 0 0 16 -2,-0.5 -8,-0.1 -4,-0.1 -4,-0.1 -0.976 40.5 23.6-162.7 157.6 45.0 74.8 -9.9 74 74 A G S S- 0 0 35 -2,-0.3 9,-0.3 7,-0.1 -10,-0.1 -0.048 88.2 -57.1 77.0-177.3 43.8 73.6 -6.5 75 75 A R E -I 82 0C 172 7,-2.7 7,-3.0 2,-0.0 2,-0.1 -0.864 53.2-111.7-108.0 135.3 45.7 73.3 -3.3 76 76 A P E +I 81 0C 54 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.401 40.0 167.0 -66.3 135.2 48.9 71.2 -3.0 77 77 A K E > -I 80 0C 58 3,-2.6 3,-2.3 1,-0.3 -10,-0.1 -0.771 59.8 -67.2-149.8 99.4 48.5 68.1 -0.9 78 78 A G T 3 S- 0 0 60 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.307 120.7 -6.4 55.7-126.1 51.4 65.5 -1.1 79 79 A G T 3 S+ 0 0 56 -3,-0.1 -12,-2.4 -13,-0.1 -1,-0.3 0.266 130.2 66.3 -84.2 12.0 51.3 64.0 -4.6 80 80 A Y E < -HI 66 77C 29 -3,-2.3 -3,-2.6 -14,-0.3 2,-0.4 -0.805 65.1-143.3-121.4 165.3 48.1 65.8 -5.5 81 81 A R E -HI 65 76C 32 -16,-2.1 -16,-3.0 -2,-0.3 2,-0.6 -0.992 30.1-148.7-116.6 135.1 46.6 69.2 -6.1 82 82 A V E -HI 64 75C 9 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.8 -0.902 12.5-163.3-109.9 122.1 43.1 69.3 -4.7 83 83 A V E -H 63 0C 10 -20,-3.1 -20,-2.9 -2,-0.6 2,-0.7 -0.899 15.9-154.6 -97.7 109.2 40.3 71.4 -6.2 84 84 A S E +H 62 0C 76 -2,-0.8 -22,-0.2 -22,-0.2 -23,-0.1 -0.772 23.6 167.3 -87.4 117.2 37.6 71.6 -3.6 85 85 A L + 0 0 23 -24,-2.2 2,-0.2 -2,-0.7 -23,-0.2 0.698 60.1 50.9-100.3 -23.9 34.2 72.2 -5.2 86 86 A A S S- 0 0 10 -25,-1.7 88,-0.2 1,-0.1 3,-0.1 -0.637 95.4 -85.2-112.4 167.0 32.0 71.4 -2.2 87 87 A W - 0 0 58 86,-2.5 86,-0.3 -2,-0.2 -1,-0.1 -0.399 59.2 -95.7 -63.2 150.7 31.8 72.5 1.4 88 88 A P >> - 0 0 71 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.349 29.1-111.9 -71.2 151.8 34.0 70.4 3.7 89 89 A Y H 3> S+ 0 0 35 47,-2.5 4,-2.9 1,-0.3 5,-0.2 0.842 116.2 60.9 -47.0 -44.7 32.6 67.4 5.5 90 90 A R H 3> S+ 0 0 210 46,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.850 107.0 45.3 -55.5 -37.8 33.0 69.2 8.9 91 91 A K H <> S+ 0 0 81 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.899 110.5 52.3 -75.1 -42.6 30.7 71.9 7.7 92 92 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.935 110.0 50.7 -55.4 -44.4 28.1 69.5 6.3 93 93 A R H X S+ 0 0 38 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.889 109.3 49.9 -62.5 -40.6 28.2 67.8 9.7 94 94 A A H X S+ 0 0 31 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.927 111.5 48.5 -64.7 -44.3 27.6 71.1 11.5 95 95 A R H X S+ 0 0 66 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.874 106.1 58.3 -63.5 -36.4 24.7 71.8 9.3 96 96 A L H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.876 103.2 52.5 -60.1 -40.2 23.3 68.3 9.9 97 97 A R H X S+ 0 0 127 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.899 109.8 49.1 -62.2 -41.3 23.2 69.1 13.7 98 98 A E H X S+ 0 0 102 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.904 111.0 50.2 -61.0 -42.4 21.3 72.3 12.9 99 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.874 106.5 55.2 -65.1 -36.2 18.9 70.2 10.7 100 100 A E H X>S+ 0 0 26 -4,-2.1 5,-1.6 2,-0.2 4,-0.9 0.896 107.4 49.9 -64.9 -41.2 18.4 67.7 13.5 101 101 A A H ><5S+ 0 0 79 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.938 112.0 48.2 -60.6 -48.3 17.3 70.4 15.8 102 102 A L H 3<5S+ 0 0 114 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.7 46.0 -60.8 -39.2 14.9 71.7 13.3 103 103 A A H 3<5S- 0 0 20 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.590 98.2-138.1 -81.0 -10.5 13.4 68.3 12.6 104 104 A G T <<5S+ 0 0 67 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.900 74.6 93.3 51.6 45.2 13.2 67.5 16.3 105 105 A R S > -J 141 0D 0 -2,-0.4 3,-2.0 32,-0.3 4,-0.6 -0.814 56.0 -76.5-140.9-178.9 25.1 59.5 9.1 110 110 A Y G >4 S+ 0 0 16 30,-2.3 3,-1.2 1,-0.3 8,-0.1 0.824 124.3 62.7 -52.4 -36.2 28.4 57.7 8.7 111 111 A G G 34 S+ 0 0 17 1,-0.3 -1,-0.3 29,-0.2 259,-0.1 0.740 103.2 50.3 -66.0 -20.4 30.2 60.2 10.9 112 112 A D G <4 S+ 0 0 0 -3,-2.0 255,-2.3 257,-0.1 2,-0.3 0.591 103.6 76.2 -84.6 -14.8 27.9 59.1 13.8 113 113 A L B << S-M 366 0E 0 -3,-1.2 253,-0.2 -4,-0.6 252,-0.1 -0.694 79.6-115.7-106.6 151.5 28.7 55.3 13.3 114 114 A T > - 0 0 40 251,-2.3 4,-2.3 -2,-0.3 5,-0.2 -0.379 33.2-111.5 -71.5 159.9 31.7 53.1 14.0 115 115 A A H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 120.5 58.3 -58.0 -37.8 33.6 51.5 11.1 116 116 A E H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 107.3 45.0 -60.4 -42.3 32.1 48.2 12.3 117 117 A A H > S+ 0 0 0 2,-0.2 4,-2.7 248,-0.2 5,-0.2 0.928 112.8 50.0 -68.2 -42.5 28.5 49.4 11.9 118 118 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 6,-0.4 0.942 111.8 50.3 -59.9 -43.6 29.2 51.0 8.5 119 119 A A H X>S+ 0 0 11 -4,-2.8 4,-1.5 1,-0.2 5,-1.1 0.939 111.2 47.6 -58.5 -50.7 30.8 47.6 7.5 120 120 A R H <5S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.4 48.2 -58.3 -43.0 27.8 45.7 8.7 121 121 A L H <5S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.783 120.9 34.6 -72.2 -26.4 25.3 48.0 6.9 122 122 A T H <5S- 0 0 43 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.497 104.4-117.2-106.5 -7.0 27.1 48.0 3.6 123 123 A G T <5S+ 0 0 74 -4,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.635 71.1 135.8 75.1 14.4 28.5 44.4 3.5 124 124 A L < - 0 0 67 -5,-1.1 -1,-0.2 -6,-0.4 -2,-0.1 -0.484 61.5-102.6 -90.1 163.8 32.1 45.8 3.5 125 125 A S > - 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0 0 21 -3,-1.3 6,-0.1 1,-0.1 -3,-0.1 -0.568 58.8-141.0 -79.4 134.0 20.5 39.8 52.0 442 189 B P S S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.814 96.3 50.3 -59.7 -34.4 22.5 39.4 55.3 443 190 B D > - 0 0 78 1,-0.2 4,-1.8 2,-0.0 3,-0.4 -0.861 67.7-173.1-112.1 97.5 19.4 40.2 57.4 444 191 B P H > S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.843 85.9 53.7 -60.8 -38.1 16.4 38.1 56.2 445 192 B E H >4 S+ 0 0 136 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.885 108.6 50.2 -62.1 -40.1 13.9 40.0 58.4 446 193 B E H >4 S+ 0 0 51 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.881 111.3 48.0 -65.5 -37.4 15.1 43.2 56.9 447 194 B A H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.585 89.3 85.0 -80.8 -9.5 14.7 41.9 53.3 448 195 B R T << S+ 0 0 172 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.2 0.711 91.3 50.2 -69.5 -19.7 11.2 40.5 54.1 449 196 B F S < S+ 0 0 62 -3,-0.9 -194,-1.9 -4,-0.3 2,-0.4 -0.937 74.1 179.5-122.9 113.9 9.7 43.9 53.3 450 197 B A E -n 255 0F 0 -2,-0.5 17,-2.3 -196,-0.2 18,-1.9 -0.910 13.5-158.8-118.2 138.4 10.7 45.6 50.1 451 198 B V E -np 256 468F 0 -196,-3.0 -194,-3.5 -2,-0.4 2,-0.4 -0.881 8.3-161.9-109.8 143.2 9.7 48.9 48.5 452 199 B G E -np 257 469F 0 16,-2.5 18,-2.8 -2,-0.4 2,-0.4 -0.991 7.6-177.7-128.4 127.3 10.0 49.7 44.8 453 200 B L E +np 258 470F 0 -196,-2.1 -194,-2.5 -2,-0.4 2,-0.3 -0.990 21.7 134.6-123.5 134.5 10.0 53.1 43.2 454 201 B G E - p 0 471F 0 16,-1.7 18,-2.2 -2,-0.4 19,-0.5 -0.941 40.2-148.9-163.8-176.8 10.2 53.7 39.4 455 202 B D + 0 0 32 -2,-0.3 19,-0.3 16,-0.2 2,-0.2 0.395 66.4 56.3-146.2 -3.6 8.8 55.6 36.4 456 203 B S S > S- 0 0 19 17,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.791 85.8 -91.9-137.2 175.8 9.0 53.5 33.2 457 204 B L G > S+ 0 0 76 1,-0.3 3,-1.6 -2,-0.2 -39,-0.2 0.868 119.9 61.3 -55.9 -39.2 8.1 50.2 31.4 458 205 B N G 3 S+ 0 0 5 -41,-1.7 -28,-0.4 1,-0.3 -1,-0.3 0.499 98.3 61.6 -68.3 0.3 11.4 48.6 32.5 459 206 B D G <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.1 -1,-0.3 0.494 76.7 84.5-104.4 -9.1 10.1 49.2 36.1 460 207 B L H <> S+ 0 0 47 -3,-1.6 4,-2.0 -4,-0.3 5,-0.2 0.923 90.3 52.7 -58.3 -45.4 7.0 47.0 35.9 461 208 B P H > S+ 0 0 32 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.830 109.5 51.8 -56.9 -28.8 9.1 44.0 36.7 462 209 B L H >> S+ 0 0 0 -3,-0.2 3,-0.7 2,-0.2 4,-0.6 0.933 106.8 50.5 -72.7 -48.0 10.4 46.0 39.7 463 210 B F H >< S+ 0 0 14 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.852 110.3 50.8 -56.2 -38.5 6.9 46.8 41.0 464 211 B R H 3< S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.711 107.3 54.1 -74.5 -21.4 5.9 43.1 40.8 465 212 B A H << S+ 0 0 24 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.508 101.8 70.7 -91.6 -5.3 9.0 42.0 42.8 466 213 B V S << S- 0 0 16 -3,-0.7 3,-0.2 -4,-0.6 -15,-0.2 -0.587 73.1-134.9-109.5 172.2 8.3 44.4 45.7 467 214 B D S S+ 0 0 93 -17,-2.3 2,-0.4 1,-0.3 -16,-0.2 0.753 99.4 32.1 -96.0 -31.0 5.8 44.5 48.6 468 215 B L E S-p 451 0F 15 -18,-1.9 -16,-2.5 2,-0.0 2,-0.4 -0.953 77.4-168.8-128.9 113.2 5.0 48.2 48.3 469 216 B A E -p 452 0F 15 -2,-0.4 13,-1.6 -18,-0.2 2,-0.4 -0.817 3.3-170.9-106.8 140.8 5.3 49.7 44.8 470 217 B V E -pq 453 482F 0 -18,-2.8 -16,-1.7 -2,-0.4 2,-0.6 -0.990 10.0-154.3-136.5 126.2 5.3 53.4 44.0 471 218 B Y E +pq 454 483F 33 11,-3.0 13,-0.6 -2,-0.4 -16,-0.2 -0.885 19.4 167.4-103.2 116.7 5.0 55.1 40.6 472 219 B V + 0 0 1 -18,-2.2 16,-2.4 -2,-0.6 -17,-0.2 0.098 40.5 123.3-111.9 20.3 6.5 58.6 40.3 473 220 B G S S- 0 0 13 -19,-0.5 11,-0.2 14,-0.2 -17,-0.1 -0.039 74.6-101.4 -73.8-177.3 6.4 58.7 36.5 474 221 B R S S+ 0 0 202 -19,-0.3 -1,-0.1 13,-0.1 -19,-0.0 0.742 94.5 42.6 -84.2 -24.9 4.7 61.3 34.4 475 222 B G S S- 0 0 47 -20,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.234 103.0 -41.0 -99.7-144.3 1.5 59.4 33.4 476 223 B D - 0 0 150 1,-0.1 -1,-0.2 7,-0.0 -2,-0.1 -0.696 66.2 -99.6 -87.9 142.1 -1.2 57.2 35.0 477 224 B P - 0 0 54 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.297 39.2-117.7 -58.9 139.3 -0.1 54.5 37.5 478 225 B P > - 0 0 29 0, 0.0 3,-2.2 0, 0.0 -7,-0.1 -0.192 66.0 -33.4 -69.7 171.5 0.1 50.9 36.1 479 226 B E T 3 S- 0 0 132 1,-0.3 0, 0.0 -2,-0.0 0, 0.0 0.054 123.9 -28.2 -33.0 99.8 -2.0 48.1 37.4 480 227 B G T 3 S+ 0 0 81 -3,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.462 97.5 137.1 74.9 3.3 -2.7 48.7 41.1 481 228 B V < - 0 0 25 -3,-2.2 -1,-0.2 1,-0.1 -11,-0.2 -0.493 53.8-109.1 -82.4 154.1 0.5 50.6 41.9 482 229 B L E -q 470 0F 65 -13,-1.6 -11,-3.0 -2,-0.2 2,-0.2 -0.362 31.0-147.8 -82.6 164.2 0.5 53.7 44.1 483 230 B A E -q 471 0F 40 -13,-0.2 -11,-0.1 -2,-0.1 -1,-0.1 -0.748 5.2-141.8-129.7 170.6 1.1 57.3 43.0 484 231 B T - 0 0 24 -13,-0.6 7,-0.1 -2,-0.2 8,-0.1 -0.930 27.1-117.1-132.3 155.8 2.5 60.6 44.1 485 232 B P S S+ 0 0 100 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.912 100.0 28.7 -58.9 -47.5 1.3 64.3 43.6 486 233 B A S S- 0 0 33 4,-0.2 8,-0.1 2,-0.1 -12,-0.0 -0.880 86.3-117.4-117.6 150.5 4.4 65.3 41.7 487 234 B P >> + 0 0 53 0, 0.0 3,-1.0 0, 0.0 4,-0.7 -0.152 69.8 8.2 -77.5 174.7 6.7 63.2 39.4 488 235 B G H >> S- 0 0 9 -16,-2.4 4,-1.8 -226,-0.6 3,-1.4 -0.101 125.0 -6.4 59.9-150.5 10.4 62.4 39.9 489 236 B P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.674 134.6 54.3 -54.5 -27.7 12.4 63.4 43.0 490 237 B E H <> S+ 0 0 72 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.766 108.5 49.2 -79.6 -26.1 9.5 65.3 44.5 491 238 B G H S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-1.5 0.921 111.3 47.0 -57.8 -45.2 6.7 58.7 49.1 496 243 B V H <>S+ 0 0 0 -4,-2.3 5,-2.4 3,-0.2 4,-0.5 0.946 117.6 40.9 -63.5 -49.4 9.4 58.6 51.8 497 244 B E H <5S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.933 128.8 28.4 -65.0 -45.6 7.6 61.1 54.1 498 245 B R H <5S+ 0 0 157 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.852 132.9 24.4 -88.9 -37.5 4.1 59.8 53.6 499 246 B Y T <5S+ 0 0 33 -4,-2.5 4,-0.4 -5,-0.5 -3,-0.2 0.796 125.0 34.6 -99.8 -34.7 4.4 56.1 52.8 500 247 B L T >