==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JAN-12 4DHL . COMPND 2 MOLECULE: PURPLE ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR D.FEDER,D.J.CLAYTON,W.M.HUSSEIN,G.SCHENK,R.MCGEARY,L.W.GUDDA . 1696 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1090 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 339 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 0.8 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 . 175 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 0 0 0 0 2 6 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 8 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 . 12 8 10 10 12 8 8 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 . 8 0 8 0 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 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 8 A N 0 0 177 0, 0.0 358,-0.1 0, 0.0 357,-0.0 0.000 360.0 360.0 360.0 114.7 -79.0 42.9 -34.9 2 9 A R + 0 0 145 356,-0.7 131,-1.3 2,-0.1 132,-0.2 0.210 360.0 128.9-112.8 13.9 -79.1 40.5 -32.0 3 10 A D B -A 132 0A 13 129,-0.2 129,-0.3 355,-0.1 355,-0.1 -0.469 68.9-104.0 -70.5 139.9 -75.8 41.3 -30.4 4 11 A M - 0 0 3 127,-2.6 -1,-0.1 -2,-0.2 -2,-0.1 -0.468 43.9-108.1 -65.0 128.9 -76.0 41.9 -26.6 5 12 A P > - 0 0 60 0, 0.0 3,-2.3 0, 0.0 6,-0.2 -0.196 25.6-109.4 -61.6 153.2 -75.7 45.7 -26.0 6 13 A L T 3 S+ 0 0 103 1,-0.3 -2,-0.1 -3,-0.1 5,-0.0 0.770 117.2 57.1 -52.4 -32.0 -72.5 47.1 -24.4 7 14 A D T 3 S+ 0 0 133 3,-0.0 -1,-0.3 5,-0.0 5,-0.1 0.322 79.1 128.5 -88.0 9.6 -74.2 47.8 -21.1 8 15 A S X - 0 0 17 -3,-2.3 3,-0.9 1,-0.1 4,-0.1 -0.221 69.9-118.1 -61.1 154.6 -75.4 44.2 -20.6 9 16 A D G > S+ 0 0 104 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.863 112.6 61.6 -62.9 -35.9 -74.7 42.5 -17.3 10 17 A V G 3 S+ 0 0 21 1,-0.3 -1,-0.2 169,-0.0 171,-0.1 0.779 105.2 49.2 -62.4 -23.3 -72.5 39.8 -18.9 11 18 A F G < S+ 0 0 3 -3,-0.9 -1,-0.3 -6,-0.2 -2,-0.2 0.314 81.3 136.0 -98.2 5.0 -70.2 42.6 -20.1 12 19 A R < - 0 0 169 -3,-1.7 -3,-0.1 -4,-0.1 -5,-0.0 -0.186 56.9-118.9 -55.7 146.0 -69.9 44.3 -16.7 13 20 A V - 0 0 88 8,-0.1 -1,-0.1 1,-0.0 8,-0.1 -0.765 27.1-113.0 -89.0 125.4 -66.4 45.4 -15.7 14 21 A P - 0 0 19 0, 0.0 5,-0.3 0, 0.0 -1,-0.0 -0.386 42.7-115.5 -53.2 131.1 -65.0 43.8 -12.5 15 22 A P + 0 0 117 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.263 68.6 67.4 -74.0 156.7 -64.7 46.6 -9.9 16 23 A G S > S- 0 0 45 3,-0.1 3,-1.8 2,-0.0 2,-0.1 0.001 92.0 -57.7 111.6 146.2 -61.5 48.0 -8.4 17 24 A Y T 3 S- 0 0 104 1,-0.3 86,-0.4 85,-0.1 85,-0.0 -0.347 120.6 -12.3 -59.5 124.1 -58.4 49.8 -9.7 18 25 A N T 3 S- 0 0 6 1,-0.2 85,-0.3 -2,-0.1 -1,-0.3 0.779 88.0-177.7 53.0 35.4 -56.9 47.8 -12.5 19 26 A A < - 0 0 7 -3,-1.8 23,-0.3 -5,-0.3 -1,-0.2 -0.384 32.8-106.8 -62.4 131.3 -58.9 44.7 -11.7 20 27 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.308 46.9 177.9 -54.9 144.3 -58.1 41.8 -13.9 21 28 A Q E +B 40 0B 6 19,-2.0 19,-2.7 1,-0.1 3,-0.1 -0.891 52.2 38.9-142.9 171.2 -60.8 41.1 -16.5 22 29 A Q E S- 0 0 2 -2,-0.3 2,-0.2 17,-0.2 155,-0.1 0.871 76.5-175.1 52.8 38.7 -61.4 38.6 -19.4 23 30 A V E + 0 0 0 16,-0.1 2,-0.3 -3,-0.1 16,-0.2 -0.483 9.5 163.0 -68.5 128.8 -59.7 35.9 -17.3 24 31 A H E -B 38 0B 8 14,-2.8 14,-2.7 -2,-0.2 2,-0.3 -0.997 19.9-159.9-151.1 148.5 -59.3 32.6 -19.1 25 32 A I E +B 37 0B 1 158,-2.0 163,-1.4 161,-0.4 2,-0.3 -0.889 9.6 173.6-127.3 152.9 -57.3 29.4 -18.8 26 33 A T E -B 36 0B 4 10,-1.7 10,-3.2 -2,-0.3 163,-0.1 -0.973 47.8 -72.9-151.5 164.2 -56.3 26.6 -21.0 27 34 A Q E -B 35 0B 0 -2,-0.3 8,-0.3 8,-0.2 6,-0.0 -0.352 39.7-163.3 -61.0 137.4 -54.1 23.5 -20.8 28 35 A G + 0 0 8 6,-2.6 7,-0.3 57,-0.2 2,-0.2 0.384 62.0 28.4-107.7 2.6 -50.4 24.6 -20.8 29 36 A D S S- 0 0 28 5,-0.6 205,-0.2 205,-0.1 7,-0.1 -0.761 88.3 -89.8-146.3-169.7 -48.5 21.4 -21.6 30 37 A L S S+ 0 0 44 -2,-0.2 204,-3.5 203,-0.1 -3,-0.0 0.871 116.4 28.8 -77.3 -36.1 -48.9 18.1 -23.4 31 38 A V S S- 0 0 37 202,-0.2 84,-0.3 204,-0.1 205,-0.3 0.365 114.4 -92.6-117.9 1.6 -50.4 15.9 -20.6 32 39 A G S S+ 0 0 0 203,-0.1 203,-0.1 82,-0.1 -2,-0.0 0.553 90.3 113.5 102.4 9.8 -52.3 18.2 -18.3 33 40 A R S S+ 0 0 84 78,-0.1 55,-3.0 57,-0.1 2,-0.3 0.422 73.5 55.7 -91.3 0.6 -49.7 19.2 -15.7 34 41 A A - 0 0 3 52,-0.2 -6,-2.6 53,-0.2 -5,-0.6 -0.940 61.3-162.7-132.4 157.3 -49.7 22.9 -16.8 35 42 A M E -BC 27 85B 0 50,-2.2 50,-2.8 -2,-0.3 2,-0.6 -0.992 16.1-139.1-140.8 126.6 -52.2 25.6 -17.2 36 43 A I E -BC 26 84B 10 -10,-3.2 -10,-1.7 -2,-0.4 2,-0.5 -0.810 20.9-157.0 -84.8 119.9 -51.9 28.8 -19.2 37 44 A I E -BC 25 83B 0 46,-3.7 46,-2.5 -2,-0.6 2,-0.3 -0.881 14.9-176.7-103.1 123.7 -53.5 31.6 -17.2 38 45 A S E +BC 24 82B 2 -14,-2.7 -14,-2.8 -2,-0.5 2,-0.3 -0.934 12.2 144.3-128.5 144.6 -54.6 34.7 -19.2 39 46 A W E - C 0 81B 0 42,-1.8 42,-3.2 -2,-0.3 2,-0.4 -0.981 33.7-124.2-169.1 162.8 -56.2 38.1 -18.4 40 47 A V E -BC 21 80B 3 -19,-2.7 -19,-2.0 -2,-0.3 2,-0.4 -0.942 11.9-158.4-118.7 138.3 -56.3 41.7 -19.4 41 48 A T E - C 0 79B 3 38,-2.4 38,-3.0 -2,-0.4 -22,-0.1 -0.963 6.0-173.6-113.6 140.5 -55.6 44.8 -17.2 42 49 A M S S+ 0 0 68 -2,-0.4 -1,-0.1 -23,-0.3 38,-0.0 0.746 74.0 48.3-104.1 -31.8 -57.0 48.1 -18.4 43 50 A D S S- 0 0 68 1,-0.3 1307,-0.1 -24,-0.1 3,-0.1 0.867 123.7 -12.2 -87.5 -36.9 -55.7 50.9 -16.1 44 51 A E S S- 0 0 30 1,-0.1 -1,-0.3 35,-0.1 35,-0.2 -0.980 73.7 -94.2-157.2 164.9 -52.1 50.0 -16.1 45 52 A P + 0 0 19 0, 0.0 -4,-0.1 0, 0.0 23,-0.1 0.866 61.9 176.4 -48.5 -44.3 -49.7 47.1 -17.1 46 53 A G - 0 0 15 -3,-0.1 2,-0.3 2,-0.0 21,-0.1 -0.025 37.3 -41.6 67.0-172.8 -49.7 45.6 -13.6 47 54 A S - 0 0 21 1,-0.1 52,-0.4 2,-0.1 53,-0.2 -0.719 33.7-156.3 -91.3 140.9 -48.0 42.3 -12.5 48 55 A S + 0 0 18 -2,-0.3 17,-0.6 17,-0.2 2,-0.2 0.220 58.4 121.8 -94.1 11.1 -48.0 39.2 -14.7 49 56 A A E -E 64 0C 10 15,-0.2 2,-0.5 16,-0.1 50,-0.5 -0.513 48.6-156.4 -77.6 141.7 -47.5 37.1 -11.6 50 57 A V E -E 63 0C 0 13,-2.5 13,-2.1 -2,-0.2 2,-0.5 -0.984 1.8-155.6-119.0 125.6 -49.9 34.4 -10.6 51 58 A R E +EF 62 97C 70 46,-2.0 46,-3.1 -2,-0.5 2,-0.3 -0.859 28.2 161.8 -95.3 133.6 -50.3 33.1 -7.1 52 59 A Y E +EF 61 96C 13 9,-2.3 9,-2.8 -2,-0.5 2,-0.3 -0.970 16.2 174.8-149.9 160.5 -51.7 29.6 -6.8 53 60 A W E - F 0 95C 24 42,-2.3 42,-3.2 -2,-0.3 2,-0.2 -0.976 28.0-114.0-162.9 155.2 -52.1 26.7 -4.5 54 61 A S E > - F 0 94C 6 5,-0.3 4,-1.5 -2,-0.3 40,-0.2 -0.560 20.1-130.9 -88.3 158.7 -53.6 23.2 -4.3 55 62 A E T 4 S+ 0 0 90 38,-2.2 -1,-0.1 -2,-0.2 39,-0.1 0.886 105.9 58.9 -70.7 -38.1 -56.4 22.4 -1.9 56 63 A K T 4 S+ 0 0 130 37,-0.4 -1,-0.1 1,-0.2 38,-0.1 0.910 125.4 12.9 -60.2 -48.6 -54.4 19.3 -0.9 57 64 A N T 4 S- 0 0 107 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.708 82.1-152.7-105.5 -24.9 -51.2 21.0 0.3 58 65 A G < + 0 0 47 -4,-1.5 2,-0.5 1,-0.2 -3,-0.1 0.765 39.2 148.5 58.0 30.8 -52.3 24.6 0.5 59 66 A R - 0 0 167 -5,-0.1 -5,-0.3 1,-0.0 2,-0.2 -0.870 45.2-128.5 -96.4 124.1 -48.8 26.0 -0.1 60 67 A K - 0 0 134 -2,-0.5 2,-0.3 -7,-0.1 -7,-0.2 -0.497 31.0-179.9 -77.7 133.8 -48.9 29.3 -2.0 61 68 A R E -E 52 0C 103 -9,-2.8 -9,-2.3 -2,-0.2 2,-0.4 -0.900 17.8-143.1-130.5 163.3 -46.7 29.7 -5.1 62 69 A I E -E 51 0C 78 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.983 10.3-171.1-128.4 133.2 -45.9 32.3 -7.6 63 70 A A E -E 50 0C 15 -13,-2.1 -13,-2.5 -2,-0.4 2,-0.5 -0.975 18.2-136.5-121.1 142.4 -45.3 31.9 -11.3 64 71 A K E +E 49 0C 178 -2,-0.4 20,-0.3 -15,-0.2 -15,-0.2 -0.847 27.5 170.5-103.9 130.8 -44.1 34.8 -13.6 65 72 A G - 0 0 26 -17,-0.6 2,-0.4 -2,-0.5 18,-0.3 -0.260 28.1 -90.9-117.8-153.5 -45.6 35.5 -17.0 66 73 A K E -D 82 0B 172 16,-2.4 16,-2.0 -18,-0.1 2,-0.3 -0.968 18.8-142.8-134.2 144.7 -45.5 38.1 -19.8 67 74 A M E +D 81 0B 83 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.784 24.2 172.4-103.7 145.4 -47.4 41.2 -20.7 68 75 A S E -D 80 0B 33 12,-2.2 12,-2.9 -2,-0.3 2,-0.3 -0.977 11.7-167.2-147.5 158.9 -48.2 42.2 -24.3 69 76 A T - 0 0 40 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 -0.930 5.6-170.6-137.3 163.7 -50.2 44.8 -26.1 70 77 A Y - 0 0 8 8,-0.3 7,-3.0 -2,-0.3 2,-0.3 -0.974 13.5-141.4-148.6 170.0 -51.4 45.3 -29.7 71 78 A R E -H 76 0D 38 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.957 8.8-173.3-127.4 147.6 -53.0 47.8 -32.0 72 79 A F E > -H 75 0D 2 3,-2.1 3,-2.6 -2,-0.3 97,-0.2 -0.920 66.5 -53.4-140.0 111.0 -55.5 47.1 -34.8 73 80 A F T 3 S- 0 0 19 -2,-0.3 -1,-0.1 1,-0.3 1247,-0.1 -0.347 125.4 -14.9 52.5-125.0 -56.4 50.2 -36.8 74 81 A N T 3 S+ 0 0 73 -3,-0.1 2,-0.4 92,-0.1 -1,-0.3 0.269 117.3 102.2 -93.2 12.8 -57.4 52.9 -34.4 75 82 A Y E < -H 72 0D 24 -3,-2.6 -3,-2.1 91,-0.1 2,-0.5 -0.814 51.3-167.0 -95.7 132.8 -57.8 50.4 -31.5 76 83 A S E -H 71 0D 40 -2,-0.4 -5,-0.2 -5,-0.2 1276,-0.0 -0.987 19.1-136.0-114.2 128.7 -55.2 50.0 -28.8 77 84 A S - 0 0 6 -7,-3.0 2,-0.1 -2,-0.5 93,-0.0 -0.204 14.6-117.6 -70.8 168.8 -55.5 47.0 -26.6 78 85 A G - 0 0 9 1,-0.1 2,-0.7 -9,-0.1 -8,-0.3 -0.017 56.7 -59.2 -80.9-158.2 -55.1 47.0 -22.9 79 86 A F E -C 41 0B 7 -38,-3.0 -38,-2.4 -35,-0.2 2,-0.4 -0.791 53.7-156.8-100.6 110.3 -52.4 45.0 -21.2 80 87 A I E -CD 40 68B 3 -12,-2.9 -12,-2.2 -2,-0.7 2,-0.4 -0.718 6.5-162.8 -94.0 130.6 -52.6 41.3 -21.9 81 88 A H E +CD 39 67B 0 -42,-3.2 -42,-1.8 -2,-0.4 2,-0.4 -0.932 11.9 179.6-116.0 134.0 -51.1 38.7 -19.6 82 89 A H E +CD 38 66B 15 -16,-2.0 -16,-2.4 -2,-0.4 2,-0.4 -0.990 10.0 170.4-128.7 124.7 -50.2 35.1 -20.2 83 90 A T E -C 37 0B 1 -46,-2.5 -46,-3.7 -2,-0.4 2,-0.5 -0.998 21.5-145.2-136.6 129.6 -48.6 33.1 -17.4 84 91 A T E -C 36 0B 33 -2,-0.4 2,-0.5 -20,-0.3 -48,-0.2 -0.854 5.5-157.6-101.1 125.7 -48.0 29.3 -17.4 85 92 A I E -C 35 0B 0 -50,-2.8 -50,-2.2 -2,-0.5 2,-0.2 -0.887 23.2-170.2 -95.9 130.0 -48.3 27.4 -14.1 86 93 A R + 0 0 137 -2,-0.5 -52,-0.2 -52,-0.2 -57,-0.0 -0.703 49.5 35.3-124.1 170.1 -46.4 24.1 -14.3 87 94 A K S S+ 0 0 165 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.852 71.2 173.7 57.2 39.8 -45.8 20.8 -12.4 88 95 A L - 0 0 0 -55,-3.0 -1,-0.2 -3,-0.2 2,-0.1 -0.540 34.4-113.1 -75.6 141.3 -49.4 20.6 -11.2 89 96 A K - 0 0 103 -2,-0.2 3,-0.5 1,-0.1 22,-0.2 -0.450 38.3-106.0 -66.5 146.2 -50.5 17.5 -9.4 90 97 A Y S S+ 0 0 41 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.336 93.0 10.2 -72.5 157.6 -53.1 15.4 -11.2 91 98 A N S S+ 0 0 112 21,-2.3 2,-0.4 1,-0.1 -1,-0.2 0.859 99.0 128.1 43.6 53.1 -56.8 15.2 -10.3 92 99 A T - 0 0 20 -3,-0.5 19,-2.3 20,-0.2 2,-0.3 -0.997 60.4-119.9-145.4 137.6 -56.5 18.1 -7.9 93 100 A K E - G 0 110C 71 -2,-0.4 -38,-2.2 17,-0.2 -37,-0.4 -0.585 32.2-169.9 -76.5 133.4 -58.3 21.4 -7.2 94 101 A Y E -FG 54 109C 4 15,-3.5 15,-1.8 -2,-0.3 2,-0.4 -0.916 13.2-150.2-120.1 148.2 -56.2 24.5 -7.5 95 102 A Y E -FG 53 108C 66 -42,-3.2 -42,-2.3 -2,-0.3 2,-0.3 -0.927 18.7-174.4-109.8 144.7 -56.9 28.1 -6.5 96 103 A Y E -FG 52 107C 0 11,-1.9 11,-3.1 -2,-0.4 2,-0.4 -0.987 9.7-156.0-140.4 152.8 -55.2 30.9 -8.4 97 104 A E E -FG 51 106C 15 -46,-3.1 -46,-2.0 -2,-0.3 2,-0.3 -0.991 6.9-173.1-133.3 133.1 -55.0 34.7 -8.0 98 105 A V E + G 0 105C 0 7,-2.3 7,-2.4 -2,-0.4 -48,-0.1 -0.883 62.6 46.6-123.4 156.0 -54.3 37.4 -10.5 99 106 A G + 0 0 7 -50,-0.5 3,-0.4 -52,-0.4 -1,-0.2 0.884 58.6 166.5 82.7 45.5 -53.9 41.2 -10.1 100 107 A L + 0 0 38 -51,-0.4 4,-0.2 1,-0.2 -52,-0.1 0.673 66.1 57.7 -70.3 -18.8 -51.5 40.9 -7.1 101 108 A R S S- 0 0 135 2,-0.2 -1,-0.2 -54,-0.1 3,-0.1 0.856 129.1 -11.4 -85.5 -36.8 -50.3 44.5 -7.3 102 109 A N S S+ 0 0 83 -3,-0.4 2,-0.6 -84,-0.2 -84,-0.1 0.612 129.0 20.3-125.6 -72.1 -53.7 46.3 -6.9 103 110 A T - 0 0 37 -86,-0.4 2,-0.3 -85,-0.3 -1,-0.2 -0.897 68.8-155.8-113.5 108.7 -57.0 44.4 -7.2 104 111 A T - 0 0 62 -2,-0.6 2,-0.4 -4,-0.2 -5,-0.2 -0.618 8.8-171.7 -86.3 132.6 -56.8 40.6 -6.6 105 112 A R E -G 98 0C 54 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.981 10.5-151.4-121.1 138.8 -59.3 38.2 -8.1 106 113 A R E +G 97 0C 137 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.877 20.5 162.3-113.2 141.2 -59.3 34.5 -7.1 107 114 A F E -G 96 0C 6 -11,-3.1 -11,-1.9 -2,-0.4 2,-0.3 -0.710 18.6-143.3-137.7-172.5 -60.4 31.6 -9.2 108 115 A S E -G 95 0C 28 -13,-0.3 2,-0.3 76,-0.2 -13,-0.2 -0.991 12.1-178.9-156.2 156.7 -60.0 27.8 -9.3 109 116 A F E -G 94 0C 2 -15,-1.8 -15,-3.5 -2,-0.3 2,-0.5 -0.955 23.7-128.2-146.4 166.2 -59.6 24.8 -11.6 110 117 A I E -G 93 0C 83 75,-0.4 -17,-0.2 -2,-0.3 -19,-0.1 -0.978 24.5-130.6-120.3 120.7 -59.3 21.1 -11.2 111 118 A T - 0 0 2 -19,-2.3 -19,-0.1 -2,-0.5 -78,-0.1 -0.343 30.4-109.9 -61.9 151.0 -56.4 19.4 -13.1 112 119 A P - 0 0 2 0, 0.0 -21,-2.3 0, 0.0 -20,-0.2 -0.312 39.3 -94.4 -73.1 166.8 -57.5 16.3 -15.1 113 120 A P - 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0 0 0 34,-2.6 2,-0.7 -2,-0.6 36,-0.3 -0.732 21.7-126.2-112.2 160.6 -49.9 31.1 -57.2 1095 251 D S > - 0 0 0 -2,-0.3 3,-1.2 1,-0.1 -51,-0.1 -0.893 14.2-172.4-110.8 108.2 -48.4 29.4 -54.2 1096 252 D S T 3 S+ 0 0 7 -2,-0.7 -1,-0.1 -53,-0.5 -846,-0.1 0.769 90.3 48.7 -64.6 -24.8 -49.2 25.6 -53.9 1097 253 D Y T 3 S+ 0 0 12 -54,-0.3 2,-0.3 -17,-0.1 -1,-0.2 0.144 98.2 79.2-111.2 19.6 -47.6 25.6 -50.5 1098 254 D S S < S- 0 0 13 -3,-1.2 -849,-0.3 -18,-0.1 -848,-0.1 -0.741 96.2 -78.1-110.5 167.4 -49.4 28.6 -49.0 1099 255 D A + 0 0 19 -2,-0.3 7,-0.4 -851,-0.2 -851,-0.2 -0.404 46.5 167.9 -63.3 140.2 -52.9 28.8 -47.6 1100 256 D Y + 0 0 11 -853,-0.3 -1,-0.1 6,-0.1 3,-0.1 0.038 28.7 131.7-140.4 26.4 -55.7 29.0 -50.2 1101 257 D G S > S- 0 0 4 1,-0.2 3,-2.3 -856,-0.1 6,-0.4 -0.372 74.0 -72.6 -72.6 159.8 -58.8 28.3 -48.1 1102 258 D R T 3 S+ 0 0 113 1,-0.3 -1,-0.2 -810,-0.2 -2,-0.0 -0.307 123.0 17.1 -52.6 126.3 -61.8 30.6 -48.4 1103 259 D G T 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 -904,-0.2 0.305 94.7 126.6 92.2 -9.6 -61.1 33.9 -46.7 1104 260 D T S <> S- 0 0 0 -3,-2.3 4,-3.0 1,-0.1 -1,-0.3 -0.390 75.1-105.8 -75.7 159.7 -57.3 33.4 -46.7 1105 261 D P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.886 118.9 45.1 -53.7 -44.8 -55.0 36.1 -48.2 1106 262 D Q H > S+ 0 0 0 -7,-0.4 4,-2.8 2,-0.2 5,-0.2 0.928 115.7 45.7 -68.3 -44.2 -54.1 34.1 -51.3 1107 263 D Y H > S+ 0 0 32 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.943 117.1 45.8 -59.1 -48.9 -57.7 33.0 -52.0 1108 264 D T H X S+ 0 0 33 -4,-3.0 4,-1.5 -7,-0.2 -2,-0.2 0.886 113.9 48.5 -62.4 -43.6 -58.9 36.6 -51.4 1109 265 D W H X S+ 0 0 18 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.908 110.6 50.4 -66.0 -44.0 -56.2 38.1 -53.5 1110 266 D L H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.907 106.8 55.2 -59.8 -42.8 -56.8 35.7 -56.4 1111 267 D K H X S+ 0 0 84 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.892 114.3 38.6 -62.5 -41.2 -60.5 36.4 -56.5 1112 268 D K H X S+ 0 0 100 -4,-1.5 4,-0.8 1,-0.2 3,-0.4 0.905 111.6 59.0 -73.6 -40.7 -60.0 40.2 -56.8 1113 269 D E H >X S+ 0 0 8 -4,-2.6 3,-0.8 1,-0.2 4,-0.5 0.848 100.6 55.5 -57.7 -38.5 -57.1 39.8 -59.2 1114 270 D L H >< S+ 0 0 3 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.870 102.5 56.7 -63.7 -37.9 -59.2 37.9 -61.7 1115 271 D R H 3< S+ 0 0 139 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.720 102.0 58.3 -61.9 -24.2 -61.7 40.7 -61.8 1116 272 D K H << S+ 0 0 97 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.651 78.9 113.0 -82.7 -16.2 -58.8 43.1 -62.8 1117 273 D V << - 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