==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-03 1PL8 . COMPND 2 MOLECULE: HUMAN SORBITOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.A.PAULY,J.L.EKSTROM,D.A.BEEBE,B.CHRUNYK,D.CUNNINGHAM,M.GRI . 1424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 137 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.3 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 4 0 4 0 0 14 6 0 8 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 16 8 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 . 8 12 4 8 4 4 0 4 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 4 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 1 A A 0 0 158 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 156.3 81.6 35.6 76.9 2 2 A A - 0 0 97 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.272 360.0 -80.0 -75.7 164.8 81.9 38.1 74.1 3 3 A A - 0 0 87 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.241 57.7 -88.9 -62.9 152.3 80.4 37.7 70.6 4 4 A A - 0 0 102 -3,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.382 44.1-126.8 -63.7 138.1 82.2 35.4 68.1 5 5 A K - 0 0 177 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.456 28.2 -99.3 -83.2 158.4 84.7 37.3 66.0 6 6 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.296 38.9-132.3 -71.8 166.4 84.6 37.2 62.2 7 7 A N - 0 0 72 18,-0.1 16,-0.0 2,-0.0 0, 0.0 -0.780 11.7-153.9-117.3 163.7 87.0 34.8 60.5 8 8 A N - 0 0 6 16,-0.3 16,-1.4 -2,-0.3 14,-0.1 -0.462 19.8-175.9-133.7 60.2 89.4 35.2 57.6 9 9 A L E -A 23 0A 35 14,-0.2 121,-0.8 120,-0.1 2,-0.3 -0.386 14.7-168.8 -56.8 133.0 89.7 31.7 56.2 10 10 A S E -AB 22 129A 2 12,-3.0 12,-2.2 119,-0.2 2,-0.7 -0.932 28.3-123.9-131.4 152.7 92.2 31.8 53.4 11 11 A L E -A 21 0A 2 117,-2.5 56,-2.4 -2,-0.3 2,-0.4 -0.866 42.6-176.9 -95.6 113.9 93.5 29.6 50.6 12 12 A V E -AC 20 66A 0 8,-3.5 8,-3.0 -2,-0.7 2,-0.5 -0.922 24.8-150.1-122.4 139.0 97.2 29.3 51.1 13 13 A V E +AC 19 65A 0 52,-2.7 52,-2.3 -2,-0.4 6,-0.2 -0.908 14.2 175.8-104.7 124.8 100.0 27.6 49.2 14 14 A H E - 0 0 51 4,-2.9 -1,-0.1 -2,-0.5 5,-0.1 0.622 65.8 -48.4 -99.0 -18.8 103.0 26.5 51.4 15 15 A G E > S-A 18 0A 11 3,-0.8 3,-2.7 36,-0.1 -1,-0.4 -0.959 94.5 -18.8 168.3-178.4 104.9 24.8 48.6 16 16 A P T 3 S- 0 0 91 0, 0.0 36,-0.3 0, 0.0 37,-0.2 -0.213 132.2 -4.7 -49.1 127.3 104.5 22.4 45.6 17 17 A G T 3 S+ 0 0 58 34,-3.0 2,-0.5 1,-0.1 35,-0.1 0.668 104.8 117.8 60.5 19.1 101.4 20.4 46.1 18 18 A D E < +A 15 0A 50 -3,-2.7 -4,-2.9 33,-0.5 -3,-0.8 -0.737 32.6 160.7-121.4 84.9 100.7 21.9 49.5 19 19 A L E +A 13 0A 31 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.875 12.3 177.5-105.3 132.5 97.4 23.8 49.5 20 20 A R E -A 12 0A 107 -8,-3.0 -8,-3.5 -2,-0.4 2,-0.6 -0.982 31.3-139.7-140.4 149.2 95.6 24.7 52.7 21 21 A L E +A 11 0A 69 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.930 44.3 155.1-102.8 117.1 92.6 26.5 54.0 22 22 A E E -A 10 0A 52 -12,-2.2 -12,-3.0 -2,-0.6 2,-0.3 -0.978 42.4-100.6-144.8 157.1 93.6 28.3 57.2 23 23 A N E -A 9 0A 102 -2,-0.3 -14,-0.2 -14,-0.3 -16,-0.0 -0.586 32.2-171.6 -84.3 139.0 92.6 31.3 59.2 24 24 A Y - 0 0 53 -16,-1.4 -16,-0.3 -2,-0.3 105,-0.0 -0.812 34.2 -90.7-121.2 160.8 94.3 34.7 59.0 25 25 A P - 0 0 107 0, 0.0 106,-0.1 0, 0.0 -1,-0.1 -0.281 49.5 -99.5 -66.4 159.9 93.9 37.8 61.1 26 26 A I - 0 0 61 -20,-0.1 106,-0.1 1,-0.1 -18,-0.1 -0.740 44.9-119.8 -82.8 121.1 91.4 40.3 59.9 27 27 A P - 0 0 33 0, 0.0 105,-0.1 0, 0.0 -1,-0.1 -0.234 16.3-142.4 -61.0 148.7 93.3 43.1 58.1 28 28 A E - 0 0 123 105,-0.1 2,-0.2 6,-0.0 105,-0.1 -0.967 21.6-128.6-113.8 118.9 93.1 46.7 59.3 29 29 A P - 0 0 14 0, 0.0 51,-0.2 0, 0.0 6,-0.1 -0.438 15.3-135.2 -72.0 137.7 93.0 49.2 56.5 30 30 A G > - 0 0 23 -2,-0.2 3,-2.3 49,-0.1 51,-0.1 -0.230 45.0 -76.7 -78.0 177.0 95.4 52.2 56.5 31 31 A P T 3 S+ 0 0 69 0, 0.0 50,-2.4 0, 0.0 51,-0.7 0.769 133.0 34.3 -45.3 -39.0 94.3 55.8 55.7 32 32 A N T 3 S+ 0 0 96 49,-0.2 104,-2.7 48,-0.1 105,-0.4 0.078 107.2 84.4-110.1 25.0 94.1 55.1 51.9 33 33 A E E < -D 135 0B 52 -3,-2.3 46,-2.6 102,-0.3 2,-0.3 -0.742 59.3-147.8-119.9 168.2 92.9 51.5 52.0 34 34 A V E -DE 134 78B 0 100,-1.9 100,-2.0 -2,-0.2 2,-0.5 -0.964 15.4-129.7-134.0 150.2 89.6 49.8 52.3 35 35 A L E -DE 133 77B 9 42,-3.4 41,-3.8 -2,-0.3 42,-1.5 -0.904 28.1-157.7-101.5 125.6 88.7 46.4 53.9 36 36 A L E -DE 132 75B 0 96,-3.4 96,-2.0 -2,-0.5 2,-1.1 -0.876 20.5-140.2-110.4 139.5 86.7 44.2 51.6 37 37 A R E -DE 131 74B 72 37,-3.6 37,-2.2 -2,-0.4 94,-0.2 -0.848 42.0-128.0 -90.0 101.6 84.4 41.3 52.4 38 38 A M E + E 0 73B 0 92,-2.1 35,-0.3 -2,-1.1 3,-0.1 -0.213 39.3 167.0 -55.3 142.3 85.5 39.2 49.5 39 39 A H E + 0 0 0 33,-2.2 310,-2.1 1,-0.3 311,-0.7 0.675 58.5 17.3-121.0 -65.4 82.7 37.8 47.3 40 40 A S E +FE 348 72B 0 32,-1.0 32,-1.9 308,-0.2 2,-0.4 -0.962 55.8 175.4-122.7 131.6 83.8 36.3 44.0 41 41 A V E -FE 347 71B 0 306,-2.4 306,-2.7 -2,-0.4 30,-0.2 -0.958 14.8-154.6-135.8 116.0 87.4 35.2 43.0 42 42 A G E -FE 346 70B 0 28,-2.8 28,-0.7 -2,-0.4 27,-0.6 -0.600 13.6-145.6 -86.1 150.1 88.2 33.5 39.8 43 43 A I E -F 345 0B 0 302,-2.0 302,-0.6 -2,-0.2 2,-0.3 -0.820 17.7-177.9-113.6 156.7 91.3 31.3 39.6 44 44 A C >> - 0 0 24 -2,-0.3 4,-2.0 300,-0.1 3,-0.8 -0.866 47.4 -76.9-143.4 178.3 93.6 30.8 36.7 45 45 A G H 3> S+ 0 0 38 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.759 122.9 61.4 -49.1 -31.5 96.7 28.9 35.6 46 46 A S H 3> S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 106.4 43.4 -63.8 -48.7 98.9 31.2 37.6 47 47 A D H <> S+ 0 0 0 -3,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.952 116.6 48.2 -60.5 -49.4 97.3 30.3 40.9 48 48 A V H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.858 109.6 53.1 -59.7 -37.7 97.3 26.6 39.9 49 49 A H H X>S+ 0 0 71 -4,-2.6 4,-3.3 -5,-0.2 5,-0.6 0.902 106.2 51.3 -67.3 -41.6 100.9 26.8 38.9 50 50 A Y H X5S+ 0 0 8 -4,-2.2 4,-1.3 4,-0.2 -1,-0.2 0.867 111.7 50.6 -62.3 -33.5 102.0 28.2 42.2 51 51 A W H <5S+ 0 0 17 -4,-1.7 -34,-3.0 -5,-0.2 -33,-0.5 0.938 117.3 37.5 -68.3 -48.0 100.2 25.3 43.8 52 52 A E H <5S+ 0 0 70 -4,-2.5 -2,-0.2 -36,-0.3 -3,-0.2 0.926 136.9 16.0 -72.0 -47.1 101.8 22.7 41.6 53 53 A Y H <5S- 0 0 138 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.501 89.6-129.1-108.6 -4.9 105.3 24.1 41.4 54 54 A G S < S-J 59 0C 47 3,-2.1 3,-2.3 -2,-0.3 2,-0.2 -0.906 74.6 -49.1-144.2 109.1 106.4 30.6 38.2 57 57 A G T 3 S- 0 0 52 -2,-0.3 -1,-0.0 1,-0.3 220,-0.0 -0.429 124.6 -18.1 62.3-128.1 109.7 31.6 36.6 58 58 A N T 3 S+ 0 0 137 -2,-0.2 2,-1.2 -3,-0.1 -1,-0.3 0.479 114.8 99.3 -89.6 -3.5 111.7 33.6 39.1 59 59 A F E < +J 56 0C 98 -3,-2.3 -3,-2.1 2,-0.0 2,-0.4 -0.729 58.1 178.6 -86.2 99.4 108.6 34.4 41.3 60 60 A I E -J 55 0C 67 -2,-1.2 2,-1.0 -5,-0.2 -5,-0.2 -0.876 34.7-124.4-111.9 137.2 109.0 31.7 44.0 61 61 A V + 0 0 14 -7,-2.4 4,-0.1 -2,-0.4 -2,-0.0 -0.645 36.5 165.9 -75.9 103.0 106.9 31.1 47.1 62 62 A K S S+ 0 0 188 -2,-1.0 -1,-0.2 1,-0.2 -7,-0.0 0.613 70.0 21.9 -94.5 -16.8 109.4 31.4 49.9 63 63 A K S S- 0 0 128 -3,-0.1 -1,-0.2 -50,-0.1 -50,-0.1 -0.967 111.1 -66.3-144.7 154.4 106.8 31.6 52.6 64 64 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 -0.139 56.7-161.9 -45.2 130.4 103.1 30.6 52.6 65 65 A M E -C 13 0A 3 -52,-2.3 -52,-2.7 -4,-0.1 2,-0.3 -0.977 17.0-130.0-125.1 132.3 101.2 32.8 50.2 66 66 A V E -C 12 0A 4 -2,-0.4 60,-2.9 -54,-0.2 54,-0.3 -0.584 32.4-140.6 -75.2 136.7 97.5 33.4 49.9 67 67 A L + 0 0 0 -56,-2.4 61,-2.7 -2,-0.3 -56,-0.2 -0.255 50.5 80.9 -91.2-178.3 96.3 32.8 46.4 68 68 A G + 0 0 0 58,-0.2 59,-1.7 59,-0.2 60,-0.2 0.442 22.2 167.9 93.7 131.2 93.7 34.7 44.2 69 69 A H + 0 0 9 -27,-0.6 2,-0.6 57,-0.2 50,-0.1 0.283 61.4 81.5-155.6 5.1 93.9 37.9 42.2 70 70 A E E S+E 42 0B 3 -28,-0.7 -28,-2.8 24,-0.1 2,-0.3 -0.771 73.3 138.7-117.5 83.3 90.8 38.0 40.0 71 71 A A E -EG 41 93B 2 22,-0.6 22,-2.9 -2,-0.6 2,-0.3 -0.843 41.7-171.7-139.1 168.7 88.2 39.4 42.5 72 72 A S E +EG 40 92B 0 -32,-1.9 -33,-2.2 -2,-0.3 -32,-1.0 -0.912 24.3 153.5-141.4 161.9 85.3 41.5 43.6 73 73 A G E -EG 38 91B 0 18,-2.7 18,-3.2 -2,-0.3 2,-0.4 -0.937 41.2 -82.6-169.5-169.2 83.9 42.2 47.0 74 74 A T E -EG 37 90B 9 -37,-2.2 -37,-3.6 -2,-0.3 2,-0.3 -0.958 42.6-112.3-119.1 133.7 81.9 44.5 49.3 75 75 A V E +E 36 0B 1 14,-3.0 13,-3.3 -2,-0.4 -39,-0.3 -0.484 36.3 173.9 -66.1 124.6 83.5 47.3 51.2 76 76 A E E - 0 0 82 -41,-3.8 2,-0.3 1,-0.4 -40,-0.2 0.827 66.5 -1.7 -97.1 -45.5 83.4 46.5 54.8 77 77 A K E -E 35 0B 92 -42,-1.5 -42,-3.4 9,-0.1 -1,-0.4 -0.987 65.1-144.1-147.3 150.9 85.5 49.4 56.2 78 78 A V E -E 34 0B 39 -2,-0.3 -44,-0.2 -44,-0.2 -46,-0.1 -0.899 23.6-108.4-121.2 150.0 87.3 52.4 54.8 79 79 A G > - 0 0 5 -46,-2.6 3,-1.6 -2,-0.3 -49,-0.1 -0.299 38.6-102.9 -69.9 158.9 90.5 54.1 55.8 80 80 A S T 3 S+ 0 0 109 1,-0.3 -48,-0.1 -51,-0.2 -1,-0.1 0.663 121.9 44.6 -56.9 -18.7 90.4 57.6 57.3 81 81 A S T 3 S+ 0 0 60 -50,-2.4 -1,-0.3 -51,-0.1 2,-0.3 0.522 85.9 109.5-104.8 -6.0 91.4 59.2 54.0 82 82 A V < + 0 0 15 -3,-1.6 -4,-0.1 -51,-0.7 -50,-0.1 -0.521 28.1 155.3 -73.3 132.8 89.2 57.2 51.7 83 83 A K + 0 0 189 -2,-0.3 -1,-0.1 -51,-0.1 -51,-0.0 0.539 62.0 62.0-132.7 -16.7 86.3 59.3 50.2 84 84 A H S S+ 0 0 101 2,-0.0 2,-0.3 57,-0.0 57,-0.1 0.497 104.7 49.8 -92.5 -2.9 85.2 57.7 47.0 85 85 A L - 0 0 10 55,-0.0 51,-0.0 4,-0.0 -7,-0.0 -0.948 62.4-176.5-133.1 153.5 84.2 54.4 48.6 86 86 A K > - 0 0 116 -2,-0.3 3,-2.1 -9,-0.1 -11,-0.3 -0.960 42.8 -71.0-145.3 161.2 81.9 53.6 51.6 87 87 A P T 3 S+ 0 0 80 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.243 118.8 29.6 -53.0 138.2 80.8 50.5 53.6 88 88 A G T 3 S+ 0 0 49 -13,-3.3 2,-0.2 1,-0.3 -12,-0.1 0.205 83.7 136.3 96.3 -16.3 78.4 48.4 51.5 89 89 A D < - 0 0 14 -3,-2.1 -14,-3.0 -14,-0.1 2,-0.5 -0.471 52.8-134.1 -69.0 133.4 79.9 49.4 48.1 90 90 A R E -G 74 0B 51 52,-0.3 52,-3.3 -16,-0.2 2,-0.3 -0.781 36.6-179.0 -86.7 125.6 80.2 46.5 45.7 91 91 A V E -GH 73 141B 0 -18,-3.2 -18,-2.7 -2,-0.5 2,-0.4 -0.940 31.9-136.2-134.8 154.2 83.7 46.8 44.1 92 92 A A E -GH 72 140B 0 48,-2.8 48,-2.6 -2,-0.3 2,-0.6 -0.837 29.6-136.2-100.0 140.8 86.0 45.1 41.6 93 93 A I E -GH 71 139B 1 -22,-2.9 -22,-0.6 -2,-0.4 46,-0.2 -0.884 5.5-152.6-107.4 119.8 89.6 44.8 42.8 94 94 A E - 0 0 0 44,-2.8 -24,-0.1 -2,-0.6 44,-0.0 -0.813 14.5-153.0 -87.9 111.8 92.5 45.6 40.5 95 95 A P S S+ 0 0 0 0, 0.0 24,-1.1 0, 0.0 2,-0.7 0.720 72.2 76.4 -57.3 -32.3 95.3 43.4 41.9 96 96 A G E +K 118 0D 2 22,-0.2 22,-0.2 -27,-0.1 20,-0.0 -0.777 56.6 168.5 -90.9 113.8 98.3 45.5 40.8 97 97 A A E -K 117 0D 8 20,-2.6 20,-2.6 -2,-0.7 14,-0.0 -0.973 31.9-126.1-127.6 116.8 98.8 48.5 43.0 98 98 A P - 0 0 28 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.292 8.2-155.7 -60.3 141.2 102.0 50.6 42.8 99 99 A R S S+ 0 0 140 1,-0.2 2,-0.3 16,-0.2 17,-0.1 0.736 78.6 26.4 -88.3 -26.7 103.9 51.2 46.0 100 100 A E S S- 0 0 117 0, 0.0 2,-2.2 0, 0.0 -1,-0.2 -0.995 78.5-117.3-141.4 147.0 105.6 54.3 44.8 101 101 A N + 0 0 113 -2,-0.3 2,-0.0 -3,-0.1 9,-0.0 -0.500 55.6 162.0 -79.5 73.5 104.8 57.1 42.3 102 102 A D > - 0 0 28 -2,-2.2 4,-2.6 8,-0.1 3,-0.3 -0.159 58.5 -83.2 -84.2-177.5 107.9 56.3 40.1 103 103 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.812 128.3 56.9 -60.2 -30.3 108.4 57.4 36.5 104 104 A F H 4>S+ 0 0 74 2,-0.2 5,-2.7 1,-0.2 4,-0.3 0.918 110.2 43.4 -66.9 -42.9 106.4 54.5 35.2 105 105 A C H >45S+ 0 0 23 -3,-0.3 3,-1.4 -5,-0.2 5,-0.3 0.927 114.1 51.1 -66.9 -44.6 103.3 55.5 37.2 106 106 A K H 3<5S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.865 108.6 51.3 -61.6 -36.4 103.8 59.1 36.3 107 107 A M T 3<5S- 0 0 108 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.478 122.8-104.2 -80.4 -1.6 104.0 58.3 32.6 108 108 A G T < 5S+ 0 0 31 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.1 0.587 96.6 101.2 91.5 10.9 100.8 56.3 32.8 109 109 A R > < + 0 0 98 -5,-2.7 3,-2.2 -6,-0.2 -4,-0.2 -0.419 31.9 154.1-124.3 56.3 102.3 52.8 32.7 110 110 A Y G > + 0 0 19 -5,-0.3 3,-1.8 1,-0.3 -5,-0.2 0.688 62.3 77.0 -58.3 -19.7 102.1 51.8 36.3 111 111 A N G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -7,-0.2 5,-0.1 0.760 94.3 52.5 -63.7 -20.5 102.0 48.1 35.4 112 112 A L G < S+ 0 0 59 -3,-2.2 -1,-0.3 -8,-0.1 -2,-0.2 0.421 75.7 126.9 -94.2 -0.6 105.7 48.4 34.7 113 113 A S X - 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0 0 4 -5,-2.4 -1,-0.3 1,-0.2 -17,-0.1 -0.366 29.0-162.4 -56.2 122.7 71.7 56.0 20.5 575 218 B D S S+ 0 0 55 -19,-1.3 2,-0.3 1,-0.2 -18,-0.2 0.836 74.7 13.5 -76.3 -34.0 71.9 55.1 24.2 576 219 B L E -f 557 0L 40 -20,-1.9 -18,-2.5 -3,-0.0 2,-0.3 -0.990 67.8-164.7-142.9 148.0 70.8 58.5 25.2 577 220 B V E -f 558 0L 38 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.966 3.8-165.2-134.7 151.3 69.2 61.5 23.4 578 221 B L E -f 559 0L 18 -20,-2.4 -18,-1.5 -2,-0.3 2,-0.5 -0.937 12.6-148.2-139.8 112.8 68.7 65.1 24.3 579 222 B Q E -f 560 0L 101 -2,-0.4 2,-0.5 -20,-0.2 -18,-0.2 -0.707 20.3-141.2 -81.7 124.9 66.4 67.4 22.4 580 223 B I + 0 0 31 -20,-3.2 -17,-0.0 -2,-0.5 -1,-0.0 -0.761 35.2 153.5 -91.2 126.6 67.8 70.9 22.4 581 224 B S S S- 0 0 88 -2,-0.5 -1,-0.1 0, 0.0 -20,-0.0 0.607 73.5 -35.0-111.9 -89.6 65.3 73.7 22.8 582 225 B K S S+ 0 0 196 2,-0.0 -2,-0.1 0, 0.0 2,-0.0 0.130 87.9 132.4-129.0 22.0 66.5 77.0 24.3 583 226 B E - 0 0 38 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.325 57.2-113.0 -71.0 157.9 69.1 75.8 26.9 584 227 B S > - 0 0 36 1,-0.1 4,-2.8 31,-0.0 5,-0.2 -0.449 30.6-101.9 -86.5 164.6 72.5 77.6 27.0 585 228 B P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.899 125.1 49.5 -52.8 -43.1 75.7 75.8 26.0 586 229 B Q H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.886 110.5 50.0 -64.4 -39.3 76.6 75.4 29.7 587 230 B E H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 110.2 50.5 -65.8 -41.6 73.1 74.0 30.5 588 231 B I H X S+ 0 0 14 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.947 109.8 50.2 -60.3 -49.0 73.5 71.5 27.6 589 232 B A H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 111.4 49.9 -55.9 -42.5 76.9 70.4 29.0 590 233 B R H X S+ 0 0 148 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.920 111.4 47.0 -63.2 -45.9 75.2 70.0 32.4 591 234 B K H X S+ 0 0 88 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.903 111.7 51.1 -63.9 -41.3 72.3 67.9 31.0 592 235 B V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 6,-0.3 0.933 113.4 44.6 -61.1 -47.0 74.7 65.7 29.0 593 236 B E H X>S+ 0 0 73 -4,-2.3 4,-2.3 -5,-0.2 5,-0.8 0.876 111.1 53.9 -65.5 -38.0 76.9 65.1 32.0 594 237 B G H <5S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.917 111.0 46.7 -62.2 -41.3 73.8 64.5 34.2 595 238 B Q H <5S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 119.0 38.9 -69.5 -35.8 72.6 61.9 31.7 596 239 B L H <5S- 0 0 12 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.680 100.3-130.0 -88.0 -19.4 76.0 60.1 31.5 597 240 B G T <5S+ 0 0 69 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.603 86.7 35.3 78.4 9.0 76.8 60.5 35.1 598 241 B C S - 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