==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-NOV-99 1DC4 . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.YUN,C.-G.PARK,J.-Y.KIM,H.-W.PARK . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 11.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 60 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 1 0 0 1 3 0 1 1 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 5 6 0 2 0 1 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 3 6 1 0 0 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 . 0 2 0 0 0 2 0 1 1 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 T 0 0 99 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 145.9 53.2 38.0 -40.5 2 1 A I E -a 26 0A 25 23,-2.3 25,-1.6 87,-0.0 2,-0.4 -0.666 360.0-140.2 -89.4 136.2 52.5 36.4 -37.1 3 2 A K E -a 27 0A 52 -2,-0.3 88,-1.8 23,-0.2 87,-1.5 -0.783 24.9-175.5 -92.6 135.5 49.2 36.9 -35.3 4 3 A V E -ab 28 91A 1 23,-2.0 25,-2.3 -2,-0.4 26,-1.1 -0.998 17.0-156.4-138.9 139.4 49.5 37.4 -31.6 5 4 A G E -ab 30 92A 0 86,-1.1 88,-2.6 -2,-0.4 2,-0.6 -0.937 14.6-144.0-113.1 133.9 47.0 37.7 -28.8 6 5 A I E -ab 31 93A 0 24,-2.4 26,-2.8 -2,-0.4 2,-0.9 -0.864 6.5-162.2-101.8 119.9 47.9 39.4 -25.5 7 6 A N E S+ab 32 94A 4 86,-2.5 88,-1.5 -2,-0.6 89,-0.3 -0.816 71.0 23.0-102.1 97.3 46.5 38.0 -22.3 8 7 A G - 0 0 2 24,-2.3 25,-0.2 -2,-0.9 -1,-0.1 0.199 59.5-149.3 117.3 121.5 46.9 40.8 -19.7 9 8 A F + 0 0 1 4,-0.1 -1,-0.1 22,-0.1 87,-0.1 -0.097 55.1 125.3-109.7 33.9 47.3 44.5 -20.4 10 9 A G S > S- 0 0 33 85,-0.3 4,-2.3 3,-0.1 5,-0.2 0.217 86.1 -62.2 -71.2-157.5 49.4 45.2 -17.3 11 10 A R H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.961 138.8 42.0 -55.5 -55.2 52.8 47.0 -17.6 12 11 A I H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.912 113.1 52.1 -59.5 -47.2 54.3 44.2 -19.7 13 12 A G H > S+ 0 0 0 82,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.893 110.8 48.2 -59.1 -39.5 51.3 43.7 -21.9 14 13 A R H X S+ 0 0 35 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.816 116.6 40.8 -71.9 -33.0 51.1 47.4 -22.8 15 14 A I H X S+ 0 0 7 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.804 109.6 58.4 -84.1 -32.3 54.8 47.8 -23.6 16 15 A V H X S+ 0 0 2 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.920 110.8 46.3 -59.8 -39.7 54.9 44.5 -25.4 17 16 A F H X S+ 0 0 1 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.945 112.2 48.2 -66.0 -50.9 52.2 46.1 -27.5 18 17 A R H >X S+ 0 0 29 -4,-1.8 4,-0.7 1,-0.2 3,-0.6 0.954 111.8 48.4 -55.4 -55.3 54.0 49.4 -28.0 19 18 A A H >< S+ 0 0 5 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.821 107.4 60.8 -55.6 -32.7 57.3 47.8 -29.0 20 19 A A H >< S+ 0 0 4 -4,-1.3 3,-3.1 -5,-0.3 -1,-0.2 0.883 87.2 69.0 -64.0 -43.5 55.4 45.7 -31.4 21 20 A Q H << S+ 0 0 61 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.843 95.8 57.1 -44.9 -38.4 54.0 48.5 -33.5 22 21 A K T << S+ 0 0 154 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.582 98.0 80.1 -72.6 -10.3 57.5 49.2 -34.8 23 22 A R < - 0 0 59 -3,-3.1 -3,-0.0 -4,-0.2 0, 0.0 -0.019 56.2-165.0 -85.0-168.1 57.9 45.6 -36.1 24 23 A S S S+ 0 0 99 3,-0.0 -1,-0.1 0, 0.0 -22,-0.0 0.379 82.3 64.1-147.9 -34.8 56.6 43.9 -39.2 25 24 A D S S+ 0 0 58 -24,-0.1 -23,-2.3 2,-0.0 2,-0.3 0.477 106.7 53.2 -76.4 -1.9 56.9 40.2 -38.7 26 25 A I E -a 2 0A 6 -25,-0.2 2,-0.3 -6,-0.2 -23,-0.2 -0.947 58.0-177.3-136.6 154.2 54.4 40.5 -35.9 27 26 A E E -a 3 0A 65 -25,-1.6 -23,-2.0 -2,-0.3 2,-0.5 -0.894 22.8-136.9-156.3 121.6 50.9 41.9 -35.3 28 27 A I E +a 4 0A 14 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.665 30.1 165.3 -78.2 121.4 48.7 42.2 -32.2 29 28 A V E + 0 0 24 -25,-2.3 43,-2.5 -2,-0.5 2,-0.3 0.591 60.0 29.2-112.9 -16.9 45.2 41.2 -33.2 30 29 A A E -ac 5 72A 0 -26,-1.1 -24,-2.4 41,-0.2 2,-0.4 -0.999 54.1-167.2-147.1 146.2 43.5 40.6 -29.9 31 30 A I E -ac 6 73A 0 41,-2.9 43,-1.9 -2,-0.3 2,-0.4 -0.994 10.2-168.5-134.2 126.4 43.9 41.9 -26.3 32 31 A N E +ac 7 74A 2 -26,-2.8 -24,-2.3 -2,-0.4 2,-0.3 -0.970 26.7 122.1-121.1 130.9 42.2 40.2 -23.4 33 32 A D S S- 0 0 37 41,-1.0 2,-3.2 -2,-0.4 7,-0.1 -0.900 70.8 -89.5-176.0 152.0 41.9 41.6 -19.9 34 33 A L S S+ 0 0 90 -2,-0.3 2,-0.3 42,-0.1 41,-0.1 -0.343 97.8 85.9 -71.3 66.4 39.2 42.5 -17.3 35 34 A L S S- 0 0 47 -2,-3.2 -2,-0.3 39,-0.4 2,-0.3 -0.960 77.9-110.0-158.6 154.7 38.9 46.0 -18.7 36 36 A D >> - 0 0 101 -2,-0.3 4,-3.6 1,-0.1 3,-0.7 -0.670 30.2-111.2 -96.0 148.9 36.9 47.7 -21.5 37 37 A A H 3> S+ 0 0 6 25,-0.3 4,-3.1 -2,-0.3 5,-0.2 0.818 117.9 62.7 -40.8 -38.3 38.4 49.0 -24.7 38 38 A D H 3> S+ 0 0 120 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.958 114.7 28.2 -51.0 -62.0 37.5 52.4 -23.4 39 39 A Y H <> S+ 0 0 117 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.877 120.2 57.9 -68.8 -41.5 39.8 52.2 -20.3 40 40 A X H < S+ 0 0 0 -4,-3.6 4,-0.3 1,-0.2 -2,-0.2 0.847 105.2 50.3 -59.4 -36.2 42.1 49.9 -22.3 41 41 A A H >X S+ 0 0 5 -4,-3.1 4,-1.8 -5,-0.4 3,-1.2 0.923 108.5 53.2 -67.7 -44.2 42.5 52.6 -24.9 42 42 A Y H 3X S+ 0 0 129 -4,-1.5 4,-1.7 1,-0.3 -2,-0.2 0.845 102.8 55.5 -59.4 -40.2 43.4 55.2 -22.2 43 43 A X H 3< S+ 0 0 22 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.604 111.6 48.3 -71.9 -6.6 46.1 53.1 -20.7 44 44 A L H <4 S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.3 9,-0.2 0.791 108.6 48.5 -98.9 -37.9 47.6 53.0 -24.2 45 45 A K H < S+ 0 0 73 -4,-1.8 8,-1.3 1,-0.2 2,-0.4 0.795 116.1 43.7 -74.0 -29.6 47.4 56.7 -25.1 46 46 A Y < + 0 0 111 -4,-1.7 2,-0.4 6,-0.2 6,-0.2 -0.976 59.6 169.7-125.2 131.3 49.0 57.9 -21.8 47 47 A D > - 0 0 16 -2,-0.4 4,-1.8 1,-0.1 -4,-0.0 -0.966 24.7-154.0-141.1 120.5 52.0 56.4 -19.9 48 48 A S T 4 S+ 0 0 135 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.811 99.0 35.7 -62.1 -31.7 53.7 58.1 -16.9 49 49 A T T 4 S+ 0 0 31 2,-0.1 -1,-0.2 1,-0.1 187,-0.1 0.820 129.3 26.4 -93.1 -35.8 57.0 56.3 -17.7 50 50 A H T 4 S- 0 0 45 1,-0.2 -2,-0.2 235,-0.0 -1,-0.1 0.398 101.2-119.1-113.4 5.0 57.1 56.2 -21.5 51 51 A G < - 0 0 36 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.1 -0.069 52.5 -29.8 83.5 171.2 55.1 59.1 -22.7 52 52 A R S S- 0 0 194 -6,-0.2 -6,-0.2 1,-0.1 -7,-0.2 -0.232 78.9 -86.5 -62.9 149.8 52.0 59.2 -24.9 53 53 A F - 0 0 23 -8,-1.3 -1,-0.1 -9,-0.2 4,-0.1 -0.234 32.2-135.5 -54.9 144.6 51.4 56.5 -27.5 54 54 A D S S+ 0 0 151 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.736 80.0 38.4 -77.8 -24.2 53.1 57.3 -30.8 55 55 A G S S- 0 0 30 1,-0.1 2,-0.4 0, 0.0 11,-0.0 0.203 96.6 -62.7-102.1-139.7 50.2 56.4 -33.0 56 56 A T - 0 0 81 2,-0.0 11,-1.4 0, 0.0 2,-0.4 -0.908 36.7-169.0-117.8 144.7 46.4 56.6 -33.2 57 57 A V + 0 0 27 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.990 13.2 161.0-138.1 125.1 43.8 55.1 -30.8 58 58 A E - 0 0 121 7,-0.4 7,-1.5 -2,-0.4 2,-0.8 -0.994 32.0-138.8-142.4 146.2 40.1 54.9 -31.3 59 59 A V E -G 64 0B 51 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.887 26.0-179.0-107.9 100.3 37.4 52.7 -29.7 60 60 A K E > -G 63 0B 112 3,-2.0 3,-0.9 -2,-0.8 -2,-0.0 -0.889 65.0 -31.5-107.0 109.9 35.0 51.7 -32.4 61 61 A D T 3 S- 0 0 116 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.953 125.8 -36.9 46.6 74.0 32.1 49.5 -31.3 62 62 A G T 3 S+ 0 0 50 -3,-0.2 -25,-0.3 1,-0.1 2,-0.3 0.401 123.1 87.3 67.0 0.5 33.6 47.6 -28.4 63 63 A H E < S-G 60 0B 53 -3,-0.9 -3,-2.0 9,-0.1 9,-0.2 -0.918 74.0-107.5-135.3 159.6 37.0 47.2 -30.0 64 64 A L E -GH 59 71B 0 7,-0.8 7,-3.1 -2,-0.3 -5,-0.2 -0.463 18.4-170.9 -82.8 152.4 40.4 49.0 -30.5 65 65 A I E + H 0 70B 39 -7,-1.5 2,-0.5 5,-0.3 3,-0.4 -0.683 14.0 175.9-143.4 81.7 41.6 50.6 -33.7 66 66 A V E > S- H 0 69B 1 3,-1.2 3,-0.8 1,-0.2 -9,-0.2 -0.792 72.2 -17.8 -95.7 126.3 45.3 51.6 -33.3 67 67 A N T 3 S- 0 0 63 -11,-1.4 2,-0.6 -2,-0.5 -1,-0.2 0.818 127.6 -56.7 51.7 32.3 47.1 53.0 -36.3 68 68 A G T 3 S+ 0 0 53 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.343 111.5 111.7 99.8 -56.1 44.3 51.6 -38.5 69 69 A K E < -H 66 0B 120 -3,-0.8 -3,-1.2 -2,-0.6 2,-0.5 -0.302 66.6-128.1 -57.6 133.7 44.5 48.0 -37.6 70 70 A K E -H 65 0B 131 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.3 -0.724 21.1-155.7 -88.1 128.5 41.4 46.8 -35.6 71 71 A I E -H 64 0B 3 -7,-3.1 -7,-0.8 -2,-0.5 2,-0.7 -0.811 15.6-124.8-105.1 145.6 42.1 44.9 -32.4 72 72 A R E -c 30 0A 28 -43,-2.5 -41,-2.9 -2,-0.3 2,-0.5 -0.803 24.9-158.1 -92.1 114.6 39.7 42.4 -30.8 73 73 A V E +c 31 0A 16 -2,-0.7 2,-0.2 -11,-0.2 -41,-0.2 -0.813 21.6 158.5 -96.9 131.6 39.0 43.4 -27.2 74 74 A T E -c 32 0A 29 -43,-1.9 -41,-1.0 -2,-0.5 -39,-0.4 -0.681 32.6-150.2-133.6-171.6 37.7 40.7 -24.8 75 75 A A + 0 0 58 -2,-0.2 2,-0.4 -43,-0.2 -41,-0.1 -0.469 28.0 163.8-165.0 77.3 37.5 40.1 -21.1 76 76 A E - 0 0 53 1,-0.1 -42,-0.1 -2,-0.0 -2,-0.1 -0.859 25.6-164.9-106.2 141.7 37.6 36.4 -20.3 77 77 A R S S+ 0 0 199 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.758 85.9 51.0 -89.6 -30.0 38.3 35.2 -16.8 78 78 A D S > S- 0 0 65 1,-0.1 3,-2.4 29,-0.0 -1,-0.2 -0.921 77.7-147.7-114.1 107.5 39.1 31.7 -18.0 79 79 A P G > S+ 0 0 2 0, 0.0 3,-3.9 0, 0.0 4,-0.2 0.805 90.3 73.6 -34.8 -53.0 41.6 31.5 -20.9 80 80 A A G > S+ 0 0 34 1,-0.3 3,-0.6 2,-0.1 4,-0.1 0.748 94.6 53.1 -38.0 -36.3 39.9 28.4 -22.5 81 81 A N G < S+ 0 0 67 -3,-2.4 -1,-0.3 1,-0.2 27,-0.1 0.399 73.8 106.5 -86.2 4.0 37.0 30.6 -23.7 82 82 A L G < - 0 0 1 -3,-3.9 -1,-0.2 25,-0.2 -2,-0.1 0.678 68.8-150.8 -57.6 -17.0 39.3 33.1 -25.5 83 83 A K X> + 0 0 93 -3,-0.6 3,-0.9 -4,-0.2 4,-0.8 0.896 30.0 167.9 43.8 46.5 38.2 31.6 -28.8 84 84 A W H 3>> + 0 0 0 27,-1.2 4,-0.9 1,-0.2 5,-0.7 0.851 64.9 65.2 -57.4 -39.8 41.6 32.7 -30.1 85 85 A D H 345S+ 0 0 93 26,-1.6 -1,-0.2 3,-0.2 27,-0.1 0.845 92.3 64.4 -54.6 -34.9 41.2 30.6 -33.3 86 86 A E H <45S+ 0 0 142 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.980 112.9 31.5 -51.0 -64.4 38.3 33.0 -34.3 87 87 A V H <5S- 0 0 43 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.2 0.579 117.8-128.2 -70.9 -5.8 40.7 35.9 -34.6 88 88 A G T <5 - 0 0 35 -4,-0.9 2,-0.4 -5,-0.2 -3,-0.2 0.982 33.6-172.6 57.2 71.9 43.2 33.3 -35.6 89 89 A V < - 0 0 1 -5,-0.7 25,-0.7 23,-0.2 -85,-0.2 -0.778 18.8-164.8-100.0 137.6 46.2 33.8 -33.4 90 90 A D S S+ 0 0 45 -87,-1.5 25,-2.1 -2,-0.4 24,-1.3 0.944 75.8 9.9 -78.7 -58.1 49.5 32.0 -33.9 91 91 A V E -bd 4 115A 1 -88,-1.8 -86,-1.1 23,-0.2 2,-0.4 -0.975 69.1-138.7-131.3 144.6 51.2 32.6 -30.6 92 92 A V E -bd 5 116A 0 23,-2.4 25,-2.9 -2,-0.4 2,-1.1 -0.842 8.1-142.5-106.9 135.8 49.9 34.1 -27.3 93 93 A A E -bd 6 117A 2 -88,-2.6 -86,-2.5 -2,-0.4 2,-1.3 -0.830 20.9-155.9 -92.7 99.0 51.8 36.6 -25.1 94 94 A E E +bd 7 118A 0 23,-1.4 25,-2.6 -2,-1.1 3,-0.1 -0.663 34.3 149.5 -80.7 96.1 50.7 35.2 -21.7 95 95 A A + 0 0 15 -88,-1.5 -85,-0.3 -2,-1.3 -82,-0.3 0.159 40.4 91.7-117.4 20.2 51.2 38.3 -19.6 96 96 A T S S- 0 0 43 -89,-0.3 -1,-0.1 3,-0.1 -88,-0.1 0.715 81.3-139.8 -82.5 -19.8 48.6 38.1 -16.8 97 97 A G S S+ 0 0 38 2,-0.1 3,-0.2 -3,-0.1 -89,-0.1 0.554 79.9 97.8 74.5 7.8 51.2 36.4 -14.7 98 98 A L S S+ 0 0 128 1,-0.2 2,-0.7 6,-0.0 6,-0.1 0.774 75.9 51.2 -95.4 -32.7 48.5 34.0 -13.4 99 99 A F + 0 0 26 1,-0.1 -1,-0.2 5,-0.1 -2,-0.1 -0.640 58.0 141.4-109.9 75.9 49.1 31.1 -15.7 100 100 A L + 0 0 17 -2,-0.7 23,-1.9 -3,-0.2 24,-0.8 0.189 53.6 80.6 -99.6 17.4 52.8 30.3 -15.5 101 101 A T S > S- 0 0 35 21,-0.2 4,-2.6 22,-0.2 5,-0.2 -0.780 83.0-122.0-117.1 161.8 52.4 26.5 -15.6 102 102 A D H > S+ 0 0 50 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.959 111.2 56.9 -67.2 -48.8 51.8 24.2 -18.6 103 103 A E H 4 S+ 0 0 172 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.942 118.7 30.9 -42.2 -65.1 48.5 22.9 -17.1 104 104 A T H >4 S+ 0 0 31 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.907 119.6 53.0 -64.2 -47.0 47.0 26.4 -16.9 105 105 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 4,-0.4 0.814 94.6 69.5 -60.8 -35.5 48.9 27.9 -19.9 106 106 A R T >X S+ 0 0 82 -4,-3.2 4,-2.1 1,-0.3 3,-1.3 0.764 76.4 84.3 -55.4 -25.9 47.8 25.2 -22.3 107 107 A K H <> S+ 0 0 78 -3,-1.3 4,-0.7 -4,-0.4 -1,-0.3 0.624 84.7 60.7 -53.5 -12.5 44.2 26.6 -22.0 108 108 A H H <4>S+ 0 0 0 -3,-2.0 5,-1.8 2,-0.2 -1,-0.3 0.853 103.8 44.7 -83.4 -41.2 45.4 29.0 -24.8 109 109 A I H X45S+ 0 0 34 -3,-1.3 3,-3.1 -4,-0.4 4,-0.2 0.958 111.3 54.0 -65.0 -52.1 46.2 26.4 -27.4 110 110 A T H 3<5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.858 103.6 59.6 -48.2 -37.3 42.9 24.6 -26.5 111 111 A A T 3<5S- 0 0 5 -4,-0.7 -26,-1.6 -5,-0.3 -27,-1.2 0.386 136.0 -81.9 -77.3 4.7 41.3 28.1 -27.2 112 112 A G T < 5S+ 0 0 22 -3,-3.1 2,-0.3 1,-0.4 -3,-0.2 0.467 91.7 122.6 111.2 2.9 42.6 28.1 -30.8 113 113 A A < - 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0 0 2 52,-2.6 -4,-0.1 51,-0.1 51,-0.1 -0.964 25.5-134.1-150.7 129.7 81.8 29.0 7.4 582 251 B T > - 0 0 55 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.316 35.6-109.0 -73.0 162.6 78.2 28.2 7.2 583 252 B Y H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.815 120.6 57.7 -65.7 -28.1 75.8 31.2 7.2 584 253 B E H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 104.5 52.6 -67.6 -34.4 74.6 30.2 10.7 585 254 B Q H > S+ 0 0 95 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.892 110.0 46.9 -67.5 -41.0 78.2 30.5 11.8 586 255 B I H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.852 110.4 53.9 -70.0 -33.6 78.6 34.0 10.3 587 256 B K H X S+ 0 0 35 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.965 111.1 45.4 -62.8 -51.6 75.2 35.0 11.9 588 257 B A H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.843 110.8 52.2 -60.9 -39.1 76.4 33.9 15.4 589 258 B A H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.887 114.6 42.8 -66.4 -38.9 79.8 35.5 15.1 590 259 B V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.906 114.7 49.1 -72.7 -44.0 78.3 38.9 14.2 591 260 B K H X S+ 0 0 75 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.845 111.3 51.7 -63.5 -35.2 75.5 38.6 16.8 592 261 B A H >X S+ 0 0 57 -4,-2.0 4,-1.4 -5,-0.2 3,-0.5 0.965 109.2 48.4 -65.5 -53.1 78.1 37.7 19.3 593 262 B A H 3<>S+ 0 0 14 -4,-2.1 5,-2.9 1,-0.3 3,-0.3 0.887 111.6 51.1 -52.9 -43.5 80.2 40.8 18.5 594 263 B A H 3<5S+ 0 0 11 -4,-2.4 6,-0.4 1,-0.2 -1,-0.3 0.804 114.7 42.0 -67.0 -31.1 77.2 43.0 18.6 595 264 B E H <<5S+ 0 0 131 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.547 129.8 22.1 -92.1 -9.8 76.2 41.7 22.1 596 265 B G T ><5S+ 0 0 41 -4,-1.4 3,-2.0 -3,-0.3 -3,-0.2 0.260 126.6 3.4-120.4-117.3 79.8 41.8 23.3 597 266 B E T 3 5S+ 0 0 187 1,-0.3 -3,-0.1 -5,-0.0 -4,-0.1 0.704 133.4 42.1 -50.9 -26.2 83.0 43.6 22.3 598 267 B X T >> - 0 0 0 -406,-0.1 3,-1.3 -2,-0.1 4,-0.2 -0.791 45.3 -82.4-134.5 175.6 63.8 48.2 5.3 611 280 B S G > S+ 0 0 1 -408,-1.4 3,-2.5 1,-0.3 4,-0.1 0.874 121.6 57.2 -52.9 -48.2 65.7 51.5 5.2 612 281 B T G > S+ 0 0 54 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.744 92.4 73.1 -59.3 -20.4 63.2 53.7 7.2 613 282 B D G < S+ 0 0 65 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.642 98.9 47.2 -69.0 -9.6 63.5 51.2 10.0 614 283 B F G X S+ 0 0 13 -3,-2.5 3,-2.1 -4,-0.2 2,-1.0 0.242 73.4 127.4-115.8 13.1 67.0 52.6 10.7 615 284 B N T < S+ 0 0 71 -3,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.604 87.4 17.4 -73.5 105.1 66.3 56.3 10.6 616 285 B G T 3 S+ 0 0 36 -2,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.253 90.9 156.7 113.8 -7.3 67.7 57.4 13.9 617 286 B E < - 0 0 53 -3,-2.1 -1,-0.3 1,-0.1 26,-0.3 -0.261 27.6-166.2 -53.9 128.2 69.8 54.3 14.2 618 287 B V + 0 0 64 -3,-0.1 2,-0.1 28,-0.1 -1,-0.1 0.693 62.2 89.5 -92.4 -24.7 72.8 54.8 16.5 619 288 B C S S- 0 0 23 1,-0.1 24,-0.5 31,-0.1 3,-0.2 -0.505 71.6-143.6 -70.8 145.1 74.8 51.7 15.7 620 289 B T S S+ 0 0 3 -19,-0.8 2,-0.2 1,-0.3 -18,-0.2 0.469 87.5 28.3 -90.4 -0.0 77.1 52.3 12.7 621 290 B S E -f 602 0G 0 -20,-1.5 -18,-3.6 -134,-0.1 2,-0.7 -0.657 64.3-175.8-162.6 98.2 76.6 48.9 11.3 622 291 B V E -fG 603 641G 7 19,-2.4 19,-3.0 -20,-0.2 -18,-0.2 -0.878 25.4-135.4-102.9 111.5 73.4 46.8 11.8 623 292 B F E -fG 604 640G 0 -20,-3.4 -18,-1.4 -2,-0.7 2,-0.9 -0.423 7.7-146.3 -66.3 130.9 73.7 43.3 10.3 624 293 B D E > -f 605 0G 0 15,-3.4 4,-1.6 1,-0.2 15,-0.4 -0.823 14.7-172.4-102.4 93.6 70.7 42.2 8.3 625 294 B A T 4 S+ 0 0 5 -20,-2.3 -1,-0.2 -2,-0.9 -19,-0.2 0.922 79.9 42.8 -51.0 -58.9 70.5 38.4 8.8 626 295 B K T 4 S+ 0 0 113 -19,-0.3 -1,-0.2 1,-0.2 -20,-0.1 0.795 110.3 56.8 -63.1 -30.6 67.8 37.5 6.4 627 296 B A T 4 S+ 0 0 13 -3,-0.2 -1,-0.2 12,-0.1 -2,-0.2 0.896 89.1 82.6 -70.8 -43.2 69.0 39.7 3.5 628 297 B G < - 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0 0 1 -24,-0.5 4,-1.7 -26,-0.3 5,-0.7 -0.789 25.9-154.6 -88.7 93.8 72.0 55.9 9.1 644 313 B N T 45S+ 0 0 12 -2,-1.2 -1,-0.2 1,-0.2 -164,-0.1 0.641 90.3 37.6 -49.1 -14.4 74.7 57.9 7.3 645 314 B E T >5S+ 0 0 18 3,-0.1 4,-1.9 2,-0.1 -1,-0.2 0.870 121.6 35.0-101.4 -62.8 73.8 60.8 9.4 646 315 B T H >5S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.911 118.5 47.0 -61.3 -51.4 72.9 59.6 12.9 647 316 B G H X5S+ 0 0 1 -4,-1.7 4,-2.1 -30,-0.2 3,-0.3 0.976 115.5 43.2 -56.7 -60.2 75.3 56.7 13.3 648 317 B Y H >< S+ 0 0 42 -4,-1.2 3,-0.8 1,-0.2 -2,-0.2 0.997 111.0 38.2 -60.5 -67.9 88.1 58.9 23.3 659 328 B I H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.712 115.7 61.1 -56.4 -17.5 91.0 61.3 22.5 660 329 B S H 3< 0 0 38 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.899 360.0 360.0 -76.7 -44.5 89.7 63.3 25.4 661 330 B K << 0 0 208 -4,-2.3 0, 0.0 -3,-0.8 0, 0.0 -0.227 360.0 360.0 -54.6 360.0 90.1 60.7 28.1