==== 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 27-FEB-06 2G76 . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.P.TURNBULL,E.SALAH,P.SAVITSKY,O.GILEADI,F.VON DELFT,A.EDWA . 603 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 47 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 5 1 4 2 1 3 3 2 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 6 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 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 5 A L 0 0 153 0, 0.0 3,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 75.3 -3.7 58.0 0.7 2 6 A R + 0 0 50 1,-0.3 22,-2.8 21,-0.1 2,-0.5 0.620 360.0 45.3-144.9 -52.1 -6.5 58.4 3.3 3 7 A K E -a 24 0A 53 39,-0.2 41,-1.7 20,-0.2 42,-1.6 -0.958 55.7-170.2-116.2 129.3 -9.0 55.5 3.8 4 8 A V E -ab 25 45A 5 20,-2.8 22,-2.3 -2,-0.5 2,-0.6 -0.976 10.1-152.6-118.6 127.0 -8.0 51.8 4.0 5 9 A L E -ab 26 46A 0 40,-2.7 42,-2.6 -2,-0.4 2,-0.6 -0.859 4.0-159.1 -92.2 123.7 -10.5 49.0 4.0 6 10 A I E +ab 27 47A 0 20,-3.2 22,-2.2 -2,-0.6 42,-0.2 -0.941 14.3 178.4 -99.2 115.8 -9.4 45.9 5.8 7 11 A S + 0 0 0 40,-2.6 23,-0.6 -2,-0.6 24,-0.4 0.497 54.4 50.6-105.1 -8.6 -11.5 43.1 4.3 8 12 A D S S- 0 0 9 39,-0.6 2,-0.9 21,-0.2 20,-0.1 -0.763 98.5 -80.4-122.7 171.6 -10.3 39.9 6.1 9 13 A S + 0 0 60 -2,-0.2 2,-0.2 18,-0.0 42,-0.1 -0.644 61.6 165.1 -77.7 104.3 -9.8 38.9 9.7 10 14 A L - 0 0 16 -2,-0.9 278,-0.1 1,-0.1 277,-0.1 -0.745 46.3 -79.2-115.6 165.6 -6.4 40.4 10.8 11 15 A D >> - 0 0 44 276,-0.5 3,-1.5 -2,-0.2 4,-0.5 -0.338 44.2-120.5 -58.5 142.6 -4.7 41.0 14.1 12 16 A P H 3> S+ 0 0 90 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.672 105.5 75.7 -63.2 -14.4 -6.1 44.2 15.7 13 17 A C H 3> S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.787 84.1 64.5 -70.1 -26.2 -2.6 45.8 15.6 14 18 A C H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.984 104.6 45.0 -55.6 -59.8 -2.8 46.4 11.9 15 19 A R H X S+ 0 0 49 -4,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.879 112.5 51.0 -49.0 -48.7 -5.8 48.9 12.4 16 20 A K H X S+ 0 0 43 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.914 110.8 47.9 -62.9 -43.5 -4.1 50.7 15.3 17 21 A I H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.923 112.5 48.2 -63.4 -46.7 -0.8 51.2 13.4 18 22 A L H X>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.2 4,-0.8 0.951 114.3 48.1 -54.6 -49.1 -2.7 52.5 10.4 19 23 A Q H ><5S+ 0 0 97 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.862 110.7 49.7 -63.7 -37.7 -4.7 54.8 12.7 20 24 A D H 3<5S+ 0 0 140 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 105.9 57.5 -67.9 -34.7 -1.5 56.0 14.5 21 25 A G H 3<5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.688 129.0-100.5 -64.6 -20.2 0.0 56.7 11.1 22 26 A G T <<5S+ 0 0 67 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.716 77.1 134.8 103.7 32.1 -3.0 59.0 10.5 23 27 A L < - 0 0 17 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.3 -0.793 54.2-122.9-110.4 150.6 -5.2 56.8 8.3 24 28 A Q E -a 3 0A 66 -22,-2.8 -20,-2.8 -2,-0.3 2,-0.4 -0.760 32.8-159.7 -85.9 139.4 -8.9 56.1 8.4 25 29 A V E -a 4 0A 20 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.975 17.4-170.9-129.4 136.0 -9.7 52.4 8.7 26 30 A V E -a 5 0A 32 -22,-2.3 -20,-3.2 -2,-0.4 2,-0.7 -0.978 8.1-163.2-122.4 114.6 -12.8 50.2 8.0 27 31 A E E +a 6 0A 64 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.891 26.1 151.4 -96.5 111.7 -12.7 46.6 9.1 28 32 A K - 0 0 37 -22,-2.2 2,-0.2 -2,-0.7 3,-0.2 -0.987 21.5-165.7-139.6 131.1 -15.4 44.6 7.3 29 33 A Q + 0 0 83 -2,-0.3 -21,-0.2 1,-0.2 -22,-0.1 -0.736 57.7 28.4-118.6 161.6 -15.2 40.9 6.6 30 34 A N S S+ 0 0 153 -23,-0.6 -1,-0.2 -2,-0.2 2,-0.1 0.767 75.7 172.4 67.6 30.7 -16.9 38.2 4.5 31 35 A L - 0 0 44 -24,-0.4 -1,-0.2 -3,-0.2 2,-0.0 -0.421 28.8-129.1 -78.0 143.9 -17.9 40.7 1.7 32 36 A S > - 0 0 59 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.223 36.3 -96.8 -72.4 174.7 -19.5 39.7 -1.6 33 37 A K H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.971 126.4 44.1 -58.1 -54.7 -18.0 41.0 -4.9 34 38 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 114.6 49.4 -58.9 -45.4 -20.6 43.8 -5.1 35 39 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 109.7 51.4 -59.4 -44.7 -20.2 44.7 -1.4 36 40 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.928 110.6 48.5 -59.4 -45.0 -16.4 44.8 -1.6 37 41 A I H < S+ 0 0 53 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.853 111.5 50.5 -65.8 -35.9 -16.6 47.2 -4.6 38 42 A A H >< S+ 0 0 65 -4,-2.0 3,-0.9 2,-0.2 4,-0.3 0.889 111.1 47.3 -67.1 -43.6 -19.1 49.4 -2.8 39 43 A E H >< S+ 0 0 69 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.869 108.9 55.9 -65.4 -37.7 -16.9 49.6 0.3 40 44 A L G >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 24,-0.4 0.575 79.5 95.2 -69.3 -10.8 -13.9 50.4 -1.8 41 45 A Q G < S+ 0 0 64 -3,-0.9 -1,-0.2 -4,-0.3 23,-0.1 0.826 98.3 28.3 -52.9 -38.4 -15.6 53.4 -3.5 42 46 A D G < S+ 0 0 50 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.3 0.211 106.7 103.0-103.8 11.7 -14.0 55.8 -1.0 43 47 A C < + 0 0 1 -3,-1.9 21,-0.3 1,-0.1 -39,-0.2 -0.827 39.1 176.7-108.4 134.9 -10.9 53.7 -0.4 44 48 A E S S+ 0 0 43 -41,-1.7 22,-2.9 -2,-0.4 23,-2.1 0.516 77.7 50.1-103.3 -10.1 -7.4 54.1 -1.8 45 49 A G E -bc 4 67A 4 -42,-1.6 -40,-2.7 21,-0.2 2,-0.4 -0.982 59.5-172.8-131.4 140.9 -6.0 51.1 0.2 46 50 A L E -bc 5 68A 0 21,-1.9 23,-3.6 -2,-0.4 2,-0.4 -1.000 4.9-165.5-130.5 134.4 -7.2 47.5 0.7 47 51 A I E +bc 6 69A 0 -42,-2.6 -40,-2.6 -2,-0.4 -39,-0.6 -0.987 16.8 167.4-120.5 127.1 -5.7 45.0 3.1 48 52 A V E - c 0 70A 0 21,-2.9 23,-2.8 -2,-0.4 2,-0.0 -0.793 26.3-160.1-126.4 165.9 -6.6 41.3 2.8 49 53 A R - 0 0 36 -2,-0.3 28,-0.2 21,-0.2 -1,-0.2 0.377 67.0 -60.8-106.2-102.1 -5.3 38.0 4.2 50 54 A S S S+ 0 0 27 21,-0.1 22,-0.0 26,-0.1 -2,-0.0 0.682 120.8 65.9-119.1 -29.8 -6.4 35.0 2.0 51 55 A A S S+ 0 0 74 -42,-0.1 2,-0.4 2,-0.1 -43,-0.1 0.863 83.0 81.0 -70.0 -38.4 -10.2 34.8 1.8 52 56 A T S S- 0 0 14 1,-0.1 2,-0.9 2,-0.0 -44,-0.1 -0.574 73.3-146.5 -73.5 127.3 -10.8 38.1 -0.1 53 57 A K - 0 0 123 -2,-0.4 2,-2.0 1,-0.1 25,-0.2 -0.814 7.8-163.8-103.8 100.2 -10.3 37.6 -3.8 54 58 A V B +e 78 0B 1 23,-2.7 25,-2.4 -2,-0.9 -1,-0.1 -0.516 28.8 174.6 -84.7 74.9 -8.8 40.8 -5.3 55 59 A T > - 0 0 63 -2,-2.0 4,-2.6 23,-0.2 5,-0.2 -0.155 49.0 -97.3 -80.1 171.7 -9.7 39.7 -8.9 56 60 A A H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 125.1 56.0 -56.3 -37.6 -9.3 41.7 -12.1 57 61 A D H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.930 109.6 44.4 -63.0 -44.7 -13.0 42.7 -11.9 58 62 A V H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.954 113.6 49.9 -63.6 -51.8 -12.5 44.2 -8.4 59 63 A I H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.917 113.3 46.7 -50.2 -47.7 -9.3 46.0 -9.3 60 64 A N H < S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.724 114.4 45.9 -74.6 -24.2 -10.9 47.5 -12.4 61 65 A A H < S+ 0 0 48 -4,-1.4 2,-1.1 -3,-0.4 -1,-0.2 0.633 91.6 89.7 -88.2 -17.3 -14.1 48.6 -10.6 62 66 A A < - 0 0 0 -4,-1.5 3,-0.4 -3,-0.4 -1,-0.1 -0.699 57.0-178.1 -91.0 98.3 -12.2 50.1 -7.7 63 67 A E S S+ 0 0 180 -2,-1.1 -1,-0.2 1,-0.2 -22,-0.1 0.768 75.0 35.4 -73.7 -38.7 -11.7 53.8 -8.8 64 68 A K S S+ 0 0 73 -24,-0.4 -1,-0.2 -21,-0.3 2,-0.2 0.495 86.2 126.6 -93.9 -5.4 -9.7 55.4 -6.0 65 69 A L + 0 0 9 -3,-0.4 -21,-0.2 1,-0.2 -20,-0.2 -0.372 19.8 157.1 -66.4 122.0 -7.7 52.2 -5.2 66 70 A Q + 0 0 50 -22,-2.9 23,-2.6 1,-0.3 2,-0.4 0.652 61.7 26.8-115.5 -32.2 -3.9 52.8 -5.2 67 71 A V E -cd 45 89A 33 -23,-2.1 -21,-1.9 21,-0.2 2,-0.4 -0.998 53.6-162.9-141.2 139.7 -2.5 50.0 -3.1 68 72 A V E -cd 46 90A 0 21,-2.7 23,-2.6 -2,-0.4 2,-0.4 -0.979 12.8-162.2-114.3 128.6 -3.4 46.5 -2.1 69 73 A G E -cd 47 91A 0 -23,-3.6 -21,-2.9 -2,-0.4 2,-0.5 -0.934 3.5-160.2-109.9 135.3 -1.7 44.8 1.0 70 74 A R E -c 48 0A 6 21,-2.5 2,-1.6 -2,-0.4 23,-0.4 -0.965 13.9-145.0-111.0 128.0 -1.8 41.1 1.6 71 75 A A S S+ 0 0 2 -23,-2.8 2,-0.3 -2,-0.5 220,-0.1 -0.512 79.0 45.1 -91.0 67.1 -1.0 40.0 5.2 72 76 A G S S- 0 0 4 -2,-1.6 21,-2.0 2,-0.2 -2,-0.2 -0.950 97.6 -64.9 177.3-178.9 0.8 36.8 4.2 73 77 A T S S+ 0 0 44 -2,-0.3 3,-0.5 19,-0.2 -2,-0.0 -0.480 91.7 5.6 -89.5 160.5 3.5 35.7 1.7 74 78 A G S S- 0 0 33 1,-0.2 19,-0.2 -2,-0.1 -2,-0.2 -0.138 86.0 -91.2 62.8-165.5 3.1 35.7 -2.1 75 79 A V > + 0 0 47 1,-0.1 3,-2.3 17,-0.1 5,-0.3 -0.130 64.6 145.2-136.9 37.8 0.1 37.1 -3.9 76 80 A D T 3 S+ 0 0 99 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.791 77.5 36.3 -59.3 -36.9 -2.2 34.1 -4.2 77 81 A N T 3 S+ 0 0 11 -28,-0.2 -23,-2.7 -3,-0.1 2,-0.4 0.133 106.0 80.5-101.5 19.6 -5.5 36.0 -3.8 78 82 A V B < S-e 54 0B 9 -3,-2.3 2,-1.7 -25,-0.2 -23,-0.2 -0.994 75.4-135.7-126.5 123.9 -4.4 39.1 -5.7 79 83 A D > + 0 0 63 -25,-2.4 4,-2.5 -2,-0.4 5,-0.1 -0.633 29.2 179.9 -73.4 87.4 -4.4 39.4 -9.5 80 84 A L H > S+ 0 0 73 -2,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.814 75.9 56.5 -64.8 -33.9 -1.0 41.1 -9.6 81 85 A E H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.967 110.1 44.3 -60.5 -54.1 -1.1 41.3 -13.4 82 86 A A H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.900 113.9 51.1 -56.2 -44.3 -4.4 43.2 -13.3 83 87 A A H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-1.0 0.944 110.5 47.9 -60.9 -44.9 -3.1 45.4 -10.5 84 88 A T H ><5S+ 0 0 95 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.905 108.9 53.9 -66.5 -40.7 0.2 46.2 -12.4 85 89 A R H 3<5S+ 0 0 194 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 112.3 44.0 -60.0 -36.4 -1.6 47.1 -15.6 86 90 A K H 3<5S- 0 0 78 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.574 119.0-111.6 -87.6 -10.3 -3.9 49.6 -13.8 87 91 A G T <<5 + 0 0 61 -4,-1.0 2,-0.5 -3,-0.5 -3,-0.2 0.780 65.3 147.8 88.4 29.9 -0.9 51.0 -11.8 88 92 A I < - 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0 0 35 -3,-2.4 24,-2.6 -4,-0.1 2,-0.5 -0.350 61.4-117.0 -73.4 158.2 18.9 10.5 8.8 142 146 A T E -g 165 0D 21 52,-0.2 54,-2.3 22,-0.2 55,-2.0 -0.848 21.5-163.4-104.3 128.4 19.2 12.9 5.8 143 147 A L E -gh 166 197D 0 22,-3.5 24,-2.7 -2,-0.5 2,-0.5 -0.957 8.0-152.7-109.0 122.7 16.8 15.8 5.3 144 148 A G E -gh 167 198D 0 53,-2.8 55,-2.6 -2,-0.5 2,-0.5 -0.892 9.6-164.5 -95.2 130.0 16.8 17.4 1.8 145 149 A I E -gh 168 199D 0 22,-2.4 24,-1.7 -2,-0.5 2,-0.7 -0.960 4.8-165.7-121.5 111.9 15.7 21.0 1.8 146 150 A L E S+gh 169 200D 1 53,-2.3 55,-3.6 -2,-0.5 24,-0.2 -0.882 72.5 34.1-102.8 111.4 14.8 22.6 -1.5 147 151 A G - 0 0 5 22,-2.2 23,-0.2 -2,-0.7 55,-0.1 0.402 63.8-163.4 103.6 108.6 14.6 26.4 -1.1 148 152 A L + 0 0 0 4,-0.1 22,-0.1 3,-0.1 54,-0.1 -0.233 51.3 106.4-120.4 40.8 17.1 27.8 1.4 149 153 A G S > S- 0 0 27 52,-0.5 4,-1.7 24,-0.0 5,-0.3 0.283 91.6 -35.4 -95.4-137.5 15.6 31.3 2.0 150 154 A R H > S+ 0 0 130 1,-0.2 4,-0.7 2,-0.2 -55,-0.0 0.911 140.7 28.4 -59.7 -49.2 13.8 32.5 5.1 151 155 A I H > S+ 0 0 40 50,-0.2 4,-2.4 2,-0.2 3,-0.3 0.883 113.9 60.1 -82.0 -41.5 12.1 29.3 6.0 152 156 A G H > S+ 0 0 0 49,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.914 106.6 47.8 -53.7 -44.7 14.4 26.6 4.6 153 157 A R H X S+ 0 0 76 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.824 110.7 51.0 -70.0 -30.0 17.3 27.8 6.8 154 158 A E H X S+ 0 0 61 -4,-0.7 4,-1.5 -5,-0.3 -1,-0.2 0.875 110.3 49.1 -75.2 -38.9 15.2 27.9 10.0 155 159 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.919 109.6 54.9 -60.0 -44.0 13.9 24.3 9.3 156 160 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.941 107.5 46.4 -58.4 -48.7 17.6 23.3 8.8 157 161 A T H X S+ 0 0 49 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.866 114.1 48.7 -70.4 -31.6 18.9 24.5 12.1 158 162 A R H >< S+ 0 0 10 -4,-1.5 3,-0.8 2,-0.2 4,-0.4 0.939 113.6 44.8 -68.5 -46.8 16.1 23.0 14.1 159 163 A M H ><>S+ 0 0 0 -4,-2.7 5,-1.5 1,-0.3 3,-1.2 0.825 103.9 65.0 -74.7 -21.5 16.3 19.6 12.4 160 164 A Q H ><5S+ 0 0 60 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.3 0.830 92.5 63.2 -62.7 -33.8 20.1 19.7 12.9 161 165 A S T <<5S+ 0 0 34 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.694 98.0 56.4 -65.2 -20.7 19.5 19.6 16.6 162 166 A F T < 5S- 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.388 125.0-104.2 -87.6 2.8 17.9 16.2 16.1 163 167 A G T < 5S+ 0 0 30 -3,-1.9 -23,-2.0 1,-0.3 2,-0.2 0.651 70.2 151.3 83.2 12.3 21.2 14.9 14.5 164 168 A M < - 0 0 9 -5,-1.5 2,-0.4 -25,-0.2 -1,-0.3 -0.569 48.1-127.0 -74.0 142.8 19.8 15.1 10.9 165 169 A K E -g 142 0D 140 -24,-2.6 -22,-3.5 -2,-0.2 2,-0.6 -0.783 26.8-151.4 -83.2 130.0 22.1 15.7 8.1 166 170 A T E +g 143 0D 8 16,-0.5 18,-2.1 -2,-0.4 2,-0.3 -0.958 24.2 163.6-116.0 113.4 20.7 18.6 6.1 167 171 A I E +gi 144 184D 7 -24,-2.7 -22,-2.4 -2,-0.6 2,-0.3 -0.792 12.6 136.8-116.6 164.1 21.4 18.8 2.4 168 172 A G E -gi 145 185D 0 16,-2.2 18,-1.7 -2,-0.3 2,-0.3 -0.984 37.2-108.2 179.7-165.4 19.7 20.9 -0.2 169 173 A Y E +g 146 0D 88 -24,-1.7 -22,-2.2 -2,-0.3 16,-0.0 -0.990 22.1 164.3-154.4 139.5 19.5 23.2 -3.2 170 174 A D - 0 0 24 -2,-0.3 3,-0.2 3,-0.3 8,-0.1 -0.890 29.4-143.5-157.5 125.3 18.8 26.8 -4.0 171 175 A P S S+ 0 0 94 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 0.653 100.5 36.6 -66.8 -17.4 19.8 28.5 -7.2 172 176 A I S S+ 0 0 147 2,-0.1 2,-0.5 1,-0.0 0, 0.0 0.595 98.7 81.1-111.7 -15.6 20.6 31.9 -5.6 173 177 A I S S- 0 0 35 -3,-0.2 -3,-0.3 4,-0.0 -26,-0.1 -0.819 78.4-130.9 -94.5 125.7 22.2 30.8 -2.3 174 178 A S > - 0 0 51 -2,-0.5 4,-2.5 1,-0.1 3,-0.3 -0.389 18.6-115.3 -72.7 153.1 25.9 29.9 -2.6 175 179 A P H > S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 10,-0.2 0.808 117.5 55.3 -56.1 -32.1 27.2 26.7 -1.1 176 180 A E H > S+ 0 0 171 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.859 108.7 46.1 -68.3 -39.3 29.4 28.8 1.2 177 181 A V H >> S+ 0 0 61 -3,-0.3 3,-0.7 2,-0.2 4,-0.5 0.941 113.8 47.2 -69.2 -45.1 26.4 30.7 2.5 178 182 A S H ><>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.3 3,-1.2 0.850 105.3 61.9 -66.1 -30.5 24.3 27.6 3.0 179 183 A A H ><5S+ 0 0 61 -4,-1.7 3,-1.7 -5,-0.3 -1,-0.3 0.854 93.7 64.2 -59.5 -35.1 27.3 26.0 4.7 180 184 A S H <<5S+ 0 0 98 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.693 108.3 38.8 -65.7 -21.4 27.1 28.8 7.3 181 185 A F T <<5S- 0 0 24 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 -0.009 125.6 -99.9-112.9 25.9 23.7 27.5 8.5 182 186 A G T < 5S+ 0 0 36 -3,-1.7 2,-0.6 1,-0.2 -16,-0.5 0.661 78.2 132.7 77.5 17.5 24.7 23.8 8.1 183 187 A V < - 0 0 1 -5,-2.8 2,-0.7 -6,-0.1 -16,-0.2 -0.906 45.1-147.8-109.5 120.6 23.2 22.9 4.8 184 188 A Q E -i 167 0D 115 -18,-2.1 -16,-2.2 -2,-0.6 2,-0.4 -0.734 16.1-144.9 -85.0 115.3 25.3 21.1 2.2 185 189 A Q E +i 168 0D 28 -2,-0.7 -16,-0.2 -10,-0.2 -6,-0.0 -0.686 28.0 159.5 -85.8 139.0 24.4 22.1 -1.3 186 190 A L - 0 0 29 -18,-1.7 5,-0.1 -2,-0.4 2,-0.0 -0.923 48.4 -79.3-143.5 163.5 24.5 19.5 -4.1 187 191 A P >> - 0 0 65 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.354 46.6-112.0 -62.4 146.1 22.9 19.2 -7.5 188 192 A L H >> S+ 0 0 44 1,-0.3 4,-1.7 2,-0.2 3,-1.1 0.869 116.2 58.6 -47.0 -43.6 19.3 18.1 -7.5 189 193 A E H 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.811 106.5 48.4 -64.0 -27.5 20.2 14.7 -9.1 190 194 A E H <4 S+ 0 0 101 -3,-1.4 4,-0.3 1,-0.1 -1,-0.3 0.668 108.1 57.9 -80.9 -18.9 22.6 14.0 -6.3 191 195 A I H XX S+ 0 0 0 -3,-1.1 3,-2.0 -4,-1.0 4,-1.0 0.944 92.0 63.1 -76.2 -52.6 20.0 14.9 -3.6 192 196 A W G >< S+ 0 0 7 -4,-1.7 3,-1.0 1,-0.3 29,-0.7 0.863 103.5 47.6 -46.3 -52.2 17.1 12.5 -4.4 193 197 A P G 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.687 111.5 52.5 -66.3 -17.1 19.0 9.3 -3.7 194 198 A L G <4 S+ 0 0 78 -3,-2.0 2,-0.3 -4,-0.3 -52,-0.2 0.666 87.4 101.8 -90.2 -17.2 20.4 10.5 -0.4 195 199 A C << + 0 0 0 -4,-1.0 26,-0.5 -3,-1.0 -52,-0.2 -0.484 34.3 173.4 -89.4 135.5 17.2 11.7 1.3 196 200 A D S S+ 0 0 31 -54,-2.3 29,-2.0 1,-0.4 2,-0.3 0.710 89.3 21.7 -90.8 -35.1 15.1 10.0 4.0 197 201 A F E -hj 143 225D 0 -55,-2.0 -53,-2.8 27,-0.2 2,-0.4 -0.983 69.1-164.8-130.4 143.5 13.0 13.1 4.2 198 202 A I E -hj 144 226D 0 27,-2.3 29,-2.7 -2,-0.3 2,-0.4 -0.999 7.4-178.0-128.7 134.1 12.4 15.9 1.6 199 203 A T E -hj 145 227D 0 -55,-2.6 -53,-2.3 -2,-0.4 2,-0.4 -0.986 14.3-144.9-132.1 140.5 10.9 19.3 2.4 200 204 A V E +hj 146 228D 0 27,-1.5 29,-0.6 -2,-0.4 -53,-0.2 -0.905 23.4 165.8-111.7 134.8 10.2 22.2 -0.0 201 205 A H + 0 0 22 -55,-3.6 -52,-0.5 -2,-0.4 -49,-0.3 -0.316 39.0 117.5-141.7 50.9 10.4 25.9 0.8 202 206 A T - 0 0 22 -55,-0.1 32,-0.1 1,-0.1 29,-0.0 -0.748 66.8-103.0-107.7 162.0 10.3 27.6 -2.6 203 207 A P - 0 0 81 0, 0.0 2,-0.7 0, 0.0 28,-0.1 -0.325 47.2 -97.8 -65.4 166.3 7.9 30.1 -4.2 204 208 A L + 0 0 79 26,-0.1 28,-0.1 3,-0.0 3,-0.0 -0.872 67.5 143.2 -90.0 114.0 5.5 28.6 -6.7 205 209 A L >> - 0 0 81 -2,-0.7 4,-1.4 1,-0.1 3,-0.9 -0.846 68.0 -94.5-140.3 166.5 7.2 29.4 -10.1 206 210 A P T 34 S+ 0 0 128 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.912 127.7 53.8 -51.3 -40.5 7.5 27.7 -13.5 207 211 A S T 34 S+ 0 0 87 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.704 117.1 37.3 -67.9 -20.3 10.9 26.4 -12.2 208 212 A T T X4 S+ 0 0 8 -3,-0.9 3,-1.5 2,-0.0 2,-0.5 0.484 81.9 109.4-113.8 -4.1 9.2 24.9 -9.1 209 213 A T T 3< S+ 0 0 85 -4,-1.4 25,-0.3 -3,-0.4 26,-0.1 -0.649 101.6 2.0 -75.9 119.3 5.8 23.6 -10.3 210 214 A G T 3 S+ 0 0 15 23,-2.6 -1,-0.3 -2,-0.5 25,-0.2 0.843 80.4 154.4 70.7 32.1 6.2 19.8 -10.1 211 215 A L S < S+ 0 0 31 -3,-1.5 2,-0.5 23,-1.2 24,-0.2 0.910 76.6 45.0 -55.9 -43.7 9.7 20.1 -8.7 212 216 A L B S+m 235 0E 0 22,-1.7 24,-2.9 -4,-0.2 2,-0.2 -0.917 86.8 143.3 -96.0 128.5 8.9 16.6 -7.3 213 217 A N > - 0 0 42 -2,-0.5 4,-2.6 22,-0.2 3,-0.4 -0.807 66.3 -68.3-153.0-175.9 7.2 14.6 -10.0 214 218 A D H > S+ 0 0 74 1,-0.2 4,-1.3 -2,-0.2 -2,-0.0 0.852 129.2 49.5 -57.0 -36.9 7.1 10.9 -11.2 215 219 A N H 4 S+ 0 0 122 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.846 111.4 45.7 -71.4 -39.3 10.7 11.1 -12.4 216 220 A T H >> S+ 0 0 12 -3,-0.4 3,-1.1 1,-0.2 4,-0.6 0.890 108.9 56.7 -75.4 -34.7 12.2 12.5 -9.2 217 221 A F H >< S+ 0 0 6 -4,-2.6 3,-0.9 1,-0.3 -2,-0.2 0.871 103.4 55.0 -58.7 -35.6 10.2 10.0 -7.1 218 222 A A T 3< S+ 0 0 77 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.669 107.0 51.1 -72.2 -18.5 11.8 7.2 -9.1 219 223 A Q T <4 S+ 0 0 81 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.509 97.3 89.9 -89.4 -12.1 15.3 8.6 -8.2 220 224 A C S << S- 0 0 10 -3,-0.9 2,-0.1 -4,-0.6 -28,-0.1 -0.368 89.9 -87.6 -81.8 164.4 14.5 8.7 -4.4 221 225 A K > - 0 0 84 -29,-0.7 3,-1.6 -26,-0.5 2,-0.3 -0.449 51.6 -96.6 -63.3 143.0 15.0 6.0 -1.8 222 226 A K T 3 S+ 0 0 105 1,-0.2 26,-0.2 -2,-0.1 27,-0.2 -0.475 114.6 24.9 -55.2 120.1 12.2 3.5 -1.4 223 227 A G T 3 S+ 0 0 22 25,-1.5 -1,-0.2 24,-0.5 26,-0.2 0.635 82.2 165.0 98.2 16.4 10.2 4.8 1.5 224 228 A V E < - 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