==== 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(ACTING ON NADH OR NADPH) 30-MAR-92 1DHR . COMPND 2 MOLECULE: DIHYDROPTERIDINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.I.VARUGHESE,M.M.SKINNER,J.M.WHITELEY,D.A.MATTHEWS,N.H.XUON . 236 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.4 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 . 1 0.4 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 . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0 0 1 0 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 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 . 1 0 0 0 0 0 1 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 E 0 0 138 0, 0.0 2,-0.2 0, 0.0 209,-0.1 0.000 360.0 360.0 360.0 81.2 6.2 56.0 43.1 2 6 A A + 0 0 12 207,-0.1 3,-0.1 1,-0.1 207,-0.1 -0.864 360.0 169.8-179.0 148.6 7.1 52.5 42.0 3 7 A R + 0 0 169 -2,-0.2 25,-3.3 1,-0.2 2,-0.5 0.382 69.4 71.3-145.8 -7.1 7.2 49.0 43.3 4 8 A R E +a 28 0A 55 23,-0.2 69,-2.2 25,-0.1 70,-1.3 -0.946 55.7 161.7-126.7 114.7 7.9 46.9 40.2 5 9 A V E -ab 29 74A 0 23,-2.2 25,-2.5 -2,-0.5 2,-0.5 -0.979 25.3-156.0-133.5 139.3 11.2 47.0 38.5 6 10 A L E -ab 30 75A 2 68,-2.5 70,-2.8 -2,-0.4 2,-0.6 -0.955 11.5-159.9-109.0 131.9 13.1 44.9 36.0 7 11 A V E > -ab 31 76A 0 23,-2.8 25,-2.8 -2,-0.5 3,-0.8 -0.972 3.5-157.4-116.8 111.8 16.9 45.1 36.0 8 12 A Y E 3 S+ab 32 77A 4 68,-2.3 70,-2.2 -2,-0.6 71,-0.7 -0.838 89.9 23.4 -90.0 114.6 18.6 43.9 32.7 9 13 A G T > S+ 0 0 4 23,-4.1 3,-2.1 -2,-0.6 6,-0.4 0.756 81.8 168.3 89.4 36.7 22.1 43.0 33.6 10 14 A G T < + 0 0 0 22,-1.0 9,-0.2 -3,-0.8 23,-0.1 0.567 68.6 52.4 -56.8 -16.2 21.0 42.5 37.2 11 15 A R T 3 S+ 0 0 102 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.336 87.2 101.4-105.3 4.8 24.2 40.8 38.2 12 16 A G S <> S- 0 0 34 -3,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.208 91.7 -94.6 -77.3 177.0 26.6 43.5 36.9 13 17 A A H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.984 126.3 32.4 -55.7 -64.6 28.2 46.0 39.3 14 18 A L H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.928 119.0 53.7 -57.6 -53.2 25.6 48.7 38.7 15 19 A G H > S+ 0 0 1 -6,-0.4 4,-2.2 63,-0.3 -1,-0.2 0.870 107.5 51.2 -52.5 -45.9 22.7 46.2 38.3 16 20 A S H X S+ 0 0 23 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.823 108.3 51.6 -58.4 -43.1 23.5 44.5 41.6 17 21 A R H X S+ 0 0 79 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.2 0.897 109.6 51.2 -63.4 -40.8 23.5 47.8 43.4 18 22 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.916 109.3 48.4 -60.6 -50.8 20.1 48.6 41.9 19 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -9,-0.2 5,-0.2 0.942 115.0 45.9 -56.6 -51.5 18.5 45.2 43.0 20 24 A Q H X S+ 0 0 92 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 114.5 47.9 -54.8 -54.4 19.9 45.6 46.5 21 25 A A H < S+ 0 0 23 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.805 115.5 42.4 -58.3 -40.7 18.8 49.2 46.7 22 26 A F H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.5 0.821 112.5 53.9 -79.4 -32.5 15.2 48.7 45.4 23 27 A R H ><5S+ 0 0 88 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.850 101.9 60.0 -67.7 -34.7 14.8 45.5 47.5 24 28 A A T 3<5S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.738 103.7 50.5 -64.9 -24.4 15.8 47.5 50.6 25 29 A R T 3 5S- 0 0 107 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.228 123.2-109.1 -95.1 5.0 12.8 49.7 49.9 26 30 A N T < 5 + 0 0 137 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.708 67.9 149.7 69.4 30.1 10.6 46.6 49.6 27 31 A W < - 0 0 25 -5,-2.5 2,-0.5 1,-0.0 -1,-0.2 -0.592 53.9-113.1 -85.9 152.8 10.1 46.9 45.9 28 32 A W E -a 4 0A 52 -25,-3.3 -23,-2.2 -2,-0.2 2,-0.4 -0.789 43.2-177.6 -84.0 123.1 9.6 43.8 43.8 29 33 A V E -a 5 0A 0 -2,-0.5 12,-2.3 -25,-0.2 13,-1.2 -0.994 16.2-162.8-129.4 128.9 12.7 43.5 41.5 30 34 A A E -ac 6 42A 0 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.4 -0.860 11.6-148.8-108.0 140.3 13.5 40.9 38.9 31 35 A S E -ac 7 43A 0 11,-2.2 13,-2.7 -2,-0.4 2,-0.5 -0.934 7.8-166.7-108.7 132.9 17.1 40.5 37.6 32 36 A I E +ac 8 44A 2 -25,-2.8 -23,-4.1 -2,-0.4 -22,-1.0 -0.990 35.9 120.0-120.8 112.4 17.6 39.4 34.0 33 37 A D E S- c 0 45A 28 11,-1.7 13,-2.5 -2,-0.5 4,-0.1 -0.887 77.5 -86.9-158.4-179.4 21.3 38.3 33.3 34 38 A V S S+ 0 0 67 -2,-0.3 2,-0.3 11,-0.2 14,-0.1 0.569 115.2 33.7 -76.4 -11.3 23.4 35.4 32.2 35 39 A V S S- 0 0 74 9,-0.1 9,-0.2 10,-0.0 11,-0.1 -0.934 95.7 -92.9-140.1 160.6 23.4 34.3 35.9 36 40 A E - 0 0 102 -2,-0.3 2,-0.5 7,-0.1 -4,-0.1 -0.282 18.8-148.1 -74.4 153.0 20.9 34.4 38.7 37 41 A N > - 0 0 1 -6,-0.2 3,-1.7 1,-0.1 -6,-0.2 -0.925 8.3-169.5-122.1 97.5 20.7 37.1 41.4 38 42 A E T 3 S+ 0 0 150 -2,-0.5 -1,-0.1 1,-0.3 5,-0.0 0.678 84.8 64.4 -64.4 -16.8 19.5 35.4 44.6 39 43 A E T 3 S+ 0 0 90 -3,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.634 88.4 88.2 -78.8 -18.1 19.0 38.8 46.1 40 44 A A S < S- 0 0 14 -3,-1.7 -10,-0.2 1,-0.1 3,-0.1 -0.375 86.1-121.6 -79.8 160.8 16.3 39.7 43.6 41 45 A S S S+ 0 0 48 -12,-2.3 2,-0.3 1,-0.2 -11,-0.2 0.883 98.5 3.2 -62.5 -41.6 12.6 38.8 44.0 42 46 A A E -c 30 0A 19 -13,-1.2 -11,-2.2 2,-0.0 2,-0.4 -0.947 68.4-147.9-145.3 158.4 12.8 36.8 40.7 43 47 A S E -c 31 0A 37 -2,-0.3 2,-0.5 -13,-0.2 -11,-0.2 -1.000 3.7-166.3-135.7 131.6 15.6 35.9 38.3 44 48 A V E -c 32 0A 5 -13,-2.7 -11,-1.7 -2,-0.4 2,-0.6 -0.977 17.7-146.6-115.6 125.8 15.4 35.3 34.5 45 49 A I E -c 33 0A 72 -2,-0.5 2,-0.3 -13,-0.2 -11,-0.2 -0.910 9.8-139.4 -99.1 119.1 18.5 33.5 33.0 46 50 A V - 0 0 9 -13,-2.5 2,-0.4 -2,-0.6 9,-0.1 -0.538 24.1-118.9 -73.2 132.3 19.4 34.6 29.5 47 51 A K - 0 0 73 -2,-0.3 2,-0.5 8,-0.2 12,-0.1 -0.603 21.0-123.7 -78.0 128.5 20.5 31.6 27.4 48 52 A M + 0 0 146 -2,-0.4 2,-0.3 -14,-0.1 -1,-0.1 -0.626 56.5 133.8 -72.1 119.3 24.0 31.8 26.0 49 53 A T - 0 0 29 -2,-0.5 6,-0.1 1,-0.0 -2,-0.0 -0.946 63.1-130.5-166.3 153.5 23.8 31.5 22.2 50 54 A D S S+ 0 0 131 -2,-0.3 2,-0.9 1,-0.1 -2,-0.0 0.544 87.3 94.6 -80.6 -15.1 25.0 33.0 19.0 51 55 A S > - 0 0 46 1,-0.2 4,-2.1 2,-0.0 3,-0.3 -0.766 57.6-167.8 -87.2 104.6 21.4 33.2 17.8 52 56 A F H > S+ 0 0 66 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.891 88.7 48.6 -54.4 -51.3 19.9 36.6 18.6 53 57 A T H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.835 109.7 53.1 -63.3 -32.8 16.3 35.5 17.9 54 58 A E H > S+ 0 0 91 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.896 113.6 42.5 -65.9 -44.1 16.7 32.4 20.0 55 59 A Q H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -8,-0.2 0.916 116.9 47.4 -67.0 -44.8 17.9 34.5 23.0 56 60 A A H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 110.9 49.3 -63.9 -50.2 15.3 37.3 22.5 57 61 A D H X S+ 0 0 110 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.823 111.4 52.6 -57.1 -37.7 12.3 34.9 22.1 58 62 A Q H X S+ 0 0 30 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.939 112.1 42.5 -67.6 -51.1 13.5 33.1 25.3 59 63 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.928 115.4 50.1 -60.8 -49.1 13.6 36.2 27.4 60 64 A T H X S+ 0 0 20 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.907 112.7 46.1 -55.9 -49.9 10.4 37.7 26.0 61 65 A A H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.896 115.8 45.8 -59.9 -48.0 8.5 34.4 26.6 62 66 A E H X S+ 0 0 92 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.853 113.0 47.6 -68.7 -39.5 9.8 34.0 30.2 63 67 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.878 110.8 55.7 -66.4 -37.8 9.3 37.6 31.2 64 68 A G H X S+ 0 0 17 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.921 110.2 42.7 -58.5 -49.6 5.8 37.3 29.8 65 69 A K H < S+ 0 0 185 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.813 114.5 52.7 -66.0 -37.4 5.0 34.2 31.9 66 70 A L H < S+ 0 0 64 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.862 118.4 32.8 -69.5 -39.6 6.6 35.9 35.0 67 71 A L H >< S+ 0 0 5 -4,-2.4 3,-1.9 1,-0.2 2,-0.2 0.839 77.5 176.1 -88.5 -36.4 4.6 39.2 34.8 68 72 A G T 3< S- 0 0 53 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.515 77.2 -16.3 66.5-128.3 1.2 38.0 33.4 69 73 A D T 3 S+ 0 0 156 -2,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.264 110.2 113.6 -89.9 5.7 -1.0 41.1 33.3 70 74 A Q < - 0 0 76 -3,-1.9 2,-0.3 49,-0.0 -3,-0.0 -0.656 53.3-152.6 -84.3 137.2 1.2 43.1 35.7 71 75 A K - 0 0 99 -2,-0.3 2,-0.3 47,-0.0 47,-0.2 -0.745 13.5-132.7-101.9 152.7 3.0 46.2 34.3 72 76 A V E - d 0 118A 0 45,-2.9 47,-2.4 -2,-0.3 -67,-0.2 -0.783 9.0-134.5-108.4 156.3 6.3 47.5 35.8 73 77 A D E S+ 0 0 18 -69,-2.2 50,-1.8 -2,-0.3 2,-0.3 0.736 84.4 1.1 -73.4 -30.9 7.2 51.0 36.8 74 78 A A E -bd 5 123A 0 -70,-1.3 -68,-2.5 48,-0.2 2,-0.5 -0.978 46.7-150.7-165.1 151.1 10.7 50.7 35.1 75 79 A I E -bd 6 124A 1 48,-2.2 50,-2.4 -2,-0.3 2,-0.8 -0.993 19.1-162.8-124.6 110.5 13.1 48.7 33.1 76 80 A L E -bd 7 125A 0 -70,-2.8 -68,-2.3 -2,-0.5 2,-1.1 -0.900 1.6-163.0-100.9 104.1 16.7 49.6 33.9 77 81 A C E +b 8 0A 1 48,-2.9 -68,-0.1 -2,-0.8 -70,-0.1 -0.778 29.6 150.2 -91.8 97.9 18.9 48.3 31.1 78 82 A V + 0 0 23 -70,-2.2 -63,-0.3 -2,-1.1 -69,-0.2 0.200 26.0 124.5-113.9 9.3 22.3 48.4 32.7 79 83 A A + 0 0 15 -71,-0.7 2,-0.3 -65,-0.1 48,-0.2 -0.357 32.0 96.7 -67.5 148.9 23.9 45.5 30.9 80 84 A G - 0 0 26 -2,-0.1 2,-0.2 26,-0.0 -2,-0.1 -0.921 39.4-166.2 167.3-140.9 27.1 46.1 29.0 81 85 A G - 0 0 40 -2,-0.3 2,-0.4 2,-0.0 21,-0.0 -0.590 26.7-102.9 138.3 169.5 30.9 45.7 29.7 82 86 A W + 0 0 154 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.941 30.6 168.5-128.5 146.7 33.9 47.1 27.9 83 87 A A - 0 0 13 -2,-0.4 59,-0.4 56,-0.1 2,-0.1 -0.966 20.0-149.0-149.7 141.3 36.5 45.8 25.5 84 88 A G + 0 0 20 -2,-0.3 55,-0.3 57,-0.1 11,-0.1 -0.292 30.7 124.6-103.6-172.5 39.1 47.9 23.5 85 89 A G B -h 139 0B 19 53,-2.7 55,-2.3 -2,-0.1 56,-0.3 0.054 43.1-121.9 125.0 132.7 40.9 47.6 20.2 86 90 A N > - 0 0 82 53,-0.2 3,-0.9 52,-0.2 52,-0.1 -0.187 48.4 -88.9 -80.4 179.9 41.4 49.6 17.0 87 91 A A T 3 S+ 0 0 70 50,-0.3 5,-0.1 1,-0.2 51,-0.1 0.696 126.0 55.2 -68.0 -22.8 40.4 48.2 13.5 88 92 A K T 3 S+ 0 0 184 4,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.629 81.0 120.9 -85.8 -15.4 43.8 46.5 13.0 89 93 A S X - 0 0 23 -3,-0.9 3,-1.4 1,-0.1 4,-0.3 -0.192 62.8-140.1 -58.9 137.3 43.6 44.5 16.3 90 94 A K T 3 S+ 0 0 189 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.793 106.6 51.6 -64.2 -30.4 43.8 40.7 16.0 91 95 A S T 3> S+ 0 0 45 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.300 77.7 107.6 -90.8 6.8 41.1 40.6 18.8 92 96 A L H <> S+ 0 0 25 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.877 79.5 46.3 -49.3 -52.8 38.7 43.0 16.9 93 97 A F H > S+ 0 0 163 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.928 113.3 46.9 -60.5 -50.7 36.2 40.3 15.9 94 98 A K H > S+ 0 0 168 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.923 115.7 46.6 -57.9 -47.0 36.0 38.6 19.4 95 99 A N H X S+ 0 0 41 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.801 112.0 49.9 -65.6 -38.9 35.6 42.0 21.1 96 100 A C H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.897 108.1 53.6 -67.5 -44.4 33.0 43.2 18.6 97 101 A D H X S+ 0 0 70 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.905 113.0 43.6 -55.6 -49.5 31.0 40.1 19.0 98 102 A L H X S+ 0 0 75 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.848 111.8 52.6 -63.8 -42.9 31.0 40.6 22.8 99 103 A M H X>S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 5,-0.5 0.851 110.6 47.9 -64.2 -37.6 30.2 44.3 22.6 100 104 A W H X>S+ 0 0 98 -4,-2.2 5,-2.3 2,-0.2 4,-1.5 0.916 112.8 47.6 -69.9 -47.2 27.2 43.7 20.4 101 105 A K H <>S+ 0 0 43 -4,-1.8 5,-0.6 -5,-0.2 -2,-0.2 0.829 115.9 44.5 -64.5 -37.6 25.8 40.9 22.6 102 106 A Q H <5S+ 0 0 57 -4,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.815 131.3 15.8 -78.3 -36.4 26.2 42.9 25.8 103 107 A S H X5S+ 0 0 1 -4,-1.6 4,-1.3 -5,-0.2 -3,-0.2 0.758 129.9 39.2-110.1 -42.9 24.8 46.3 24.6 104 108 A I H X - 0 0 79 -47,-2.4 3,-2.0 -2,-0.3 2,-0.1 -0.375 38.5 -90.6 -64.9 160.4 3.1 51.2 32.7 120 124 A E E 3 S+ 0 0 152 1,-0.3 46,-0.3 47,-0.1 -1,-0.1 -0.456 122.6 25.5 -69.7 139.0 2.0 54.4 31.0 121 125 A G E 3 S+ 0 0 36 44,-1.7 -1,-0.3 1,-0.2 46,-0.2 0.481 101.3 135.8 77.8 3.7 4.2 57.1 32.5 122 126 A G E < - 0 0 3 -3,-2.0 46,-2.5 43,-0.3 2,-0.4 -0.093 48.9-118.4 -75.1 176.5 6.9 54.4 33.1 123 127 A L E -de 74 168A 0 -50,-1.8 -48,-2.2 44,-0.2 2,-0.4 -0.949 18.1-170.8-127.7 141.9 10.6 54.6 32.5 124 128 A L E -de 75 169A 0 44,-3.0 46,-2.7 -2,-0.4 2,-0.4 -1.000 13.2-163.9-123.4 125.8 13.1 52.7 30.4 125 129 A T E -de 76 170A 1 -50,-2.4 -48,-2.9 -2,-0.4 2,-0.3 -0.943 3.1-167.1-114.7 137.6 16.8 53.4 30.9 126 130 A L E - e 0 171A 2 44,-2.2 46,-2.3 -2,-0.4 2,-0.7 -0.787 21.1-123.4-114.2 157.9 19.5 52.5 28.4 127 131 A A E + e 0 172A 22 -2,-0.3 46,-0.2 44,-0.2 22,-0.1 -0.903 41.1 157.2-111.9 106.3 23.3 52.4 28.9 128 132 A G - 0 0 4 44,-2.6 2,-0.3 -2,-0.7 19,-0.1 -0.120 33.7-116.5-105.8-156.8 25.3 54.5 26.5 129 133 A A > - 0 0 1 17,-0.2 3,-0.6 44,-0.2 46,-0.2 -0.957 5.8-142.4-153.6 132.1 28.7 56.1 26.6 130 134 A K G > S+ 0 0 77 44,-2.1 3,-1.8 -2,-0.3 45,-0.1 0.883 106.1 58.5 -56.2 -42.8 29.9 59.7 26.6 131 135 A A G > S+ 0 0 43 43,-0.5 3,-1.5 1,-0.3 -1,-0.2 0.831 93.4 66.2 -56.4 -37.5 32.9 58.6 24.5 132 136 A A G < S+ 0 0 13 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.434 77.4 83.5 -69.8 1.1 30.6 57.2 21.8 133 137 A L G < S+ 0 0 55 -3,-1.8 -1,-0.3 -4,-0.2 2,-0.2 0.500 104.3 25.3 -77.5 -7.5 29.4 60.7 21.0 134 138 A D S < S- 0 0 125 -3,-1.5 2,-0.2 -4,-0.1 13,-0.0 -0.727 112.2 -57.7-136.9-174.4 32.5 60.9 18.8 135 139 A G - 0 0 69 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.478 40.8-158.4 -72.0 143.8 34.8 58.5 16.9 136 140 A T > + 0 0 23 -2,-0.2 3,-1.9 1,-0.1 7,-0.3 -0.695 18.4 170.3-125.6 72.2 36.4 55.9 19.2 137 141 A P T 3 S+ 0 0 100 0, 0.0 3,-0.4 0, 0.0 -50,-0.3 0.794 78.1 49.0 -56.8 -36.0 39.5 54.8 17.2 138 142 A G T 3 S+ 0 0 50 1,-0.2 -53,-2.7 -52,-0.1 -52,-0.2 0.417 119.9 36.7 -86.5 0.5 40.9 52.8 20.1 139 143 A M B <> +h 85 0B 36 -3,-1.9 4,-2.5 -55,-0.3 5,-0.2 -0.416 64.9 166.0-153.3 69.5 37.7 50.9 20.8 140 144 A I H > S+ 0 0 47 -55,-2.3 4,-2.3 -3,-0.4 5,-0.2 0.895 76.8 43.2 -46.7 -60.8 35.8 50.2 17.6 141 145 A G H > S+ 0 0 7 -56,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.849 114.4 49.0 -58.1 -47.8 33.3 47.7 18.9 142 146 A Y H > S+ 0 0 32 -59,-0.4 4,-2.8 2,-0.2 5,-0.2 0.928 111.9 48.7 -61.3 -50.3 32.4 49.5 22.0 143 147 A G H X S+ 0 0 9 -4,-2.5 4,-2.1 -7,-0.3 -2,-0.2 0.887 113.9 46.7 -58.7 -46.0 31.9 52.8 20.2 144 148 A M H X S+ 0 0 113 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.896 112.8 49.8 -62.4 -46.5 29.7 51.1 17.6 145 149 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.922 116.3 40.4 -59.3 -50.9 27.7 49.3 20.3 146 150 A K H X S+ 0 0 7 -4,-2.8 4,-1.9 2,-0.2 -17,-0.2 0.796 110.3 58.3 -70.6 -31.5 27.0 52.4 22.3 147 151 A G H X S+ 0 0 22 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.899 105.9 50.3 -63.2 -43.6 26.4 54.6 19.2 148 152 A A H X S+ 0 0 42 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.861 108.3 52.5 -63.1 -39.6 23.6 52.3 18.2 149 153 A V H X S+ 0 0 1 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.894 108.2 51.2 -62.7 -43.4 22.1 52.5 21.7 150 154 A H H X S+ 0 0 2 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.912 111.4 47.9 -57.5 -47.3 22.2 56.3 21.5 151 155 A Q H >X S+ 0 0 91 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.890 108.6 53.5 -62.2 -44.9 20.4 56.1 18.1 152 156 A L H 3X S+ 0 0 34 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.797 101.8 59.4 -58.8 -37.6 17.7 53.7 19.5 153 157 A C H 3X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.820 104.7 51.2 -61.3 -35.0 17.0 56.1 22.3 154 158 A Q H X< S+ 0 0 65 -4,-1.0 3,-0.6 -3,-0.6 4,-0.3 0.902 108.3 51.6 -67.1 -46.0 16.0 58.6 19.6 155 159 A S H >< S+ 0 0 59 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.822 104.7 55.6 -58.2 -43.4 13.7 56.1 17.9 156 160 A L H 3< S+ 0 0 15 -4,-1.9 7,-0.3 1,-0.2 -1,-0.2 0.706 104.4 53.1 -68.6 -24.3 11.8 55.3 21.1 157 161 A A T << S+ 0 0 47 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.495 93.9 99.5 -86.6 -8.5 10.9 58.9 21.8 158 162 A G S X S- 0 0 36 -3,-1.0 3,-1.1 -4,-0.3 5,-0.2 -0.361 90.2 -79.6 -76.2 161.1 9.5 59.2 18.2 159 163 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.374 111.8 3.6 -64.2 128.5 5.8 59.0 17.3 160 164 A N T 3 S+ 0 0 150 3,-0.1 -1,-0.3 -2,-0.1 -3,-0.1 0.789 78.4 139.9 61.1 39.5 4.5 55.4 17.2 161 165 A S S < S- 0 0 45 -3,-1.1 -2,-0.1 -5,-0.2 -46,-0.1 0.666 77.2-105.8 -76.6 -22.3 7.7 53.7 18.3 162 166 A G S S+ 0 0 44 1,-0.4 3,-0.1 -6,-0.1 -6,-0.1 0.226 74.1 141.3 110.9 -5.5 5.5 51.4 20.4 163 167 A M - 0 0 29 -7,-0.3 -1,-0.4 -5,-0.2 -3,-0.1 -0.452 59.8-100.0 -68.6 139.2 6.3 52.9 23.8 164 168 A P > - 0 0 22 0, 0.0 3,-2.0 0, 0.0 -43,-0.2 -0.129 53.2 -81.1 -56.1 148.4 3.5 53.2 26.3 165 169 A S T 3 S+ 0 0 88 1,-0.3 -44,-1.7 -45,-0.1 -43,-0.3 -0.262 112.9 3.4 -58.2 134.1 1.8 56.6 26.6 166 170 A G T 3 S+ 0 0 60 -46,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.438 97.8 130.9 67.6 -0.0 3.7 59.1 28.7 167 171 A A < - 0 0 12 -3,-2.0 2,-0.4 -46,-0.2 -44,-0.2 -0.493 48.3-137.0 -77.5 158.5 6.6 56.6 29.3 168 172 A A E -e 123 0A 6 -46,-2.5 -44,-3.0 -2,-0.1 2,-0.5 -0.974 11.8-154.7-125.5 142.0 10.2 57.8 28.8 169 173 A A E +e 124 0A 0 -2,-0.4 48,-4.0 -46,-0.2 49,-0.5 -0.944 26.0 175.5-108.3 110.0 13.3 56.3 27.1 170 174 A I E -e 125 0A 0 -46,-2.7 -44,-2.2 -2,-0.5 2,-0.4 -0.988 18.8-152.9-127.3 131.1 16.4 57.8 28.6 171 175 A A E -ef 126 219A 0 47,-2.7 49,-3.2 -2,-0.4 2,-0.5 -0.850 9.0-148.1-103.7 134.0 20.1 56.9 27.9 172 176 A V E -ef 127 220A 4 -46,-2.3 -44,-2.6 -2,-0.4 49,-0.2 -0.881 7.9-160.6-100.2 129.3 22.8 57.5 30.6 173 177 A L E + f 0 221A 0 47,-3.2 49,-1.9 -2,-0.5 -44,-0.2 -0.739 16.9 176.0-117.9 84.9 26.3 58.4 29.2 174 178 A P E - f 0 222A 22 0, 0.0 -44,-2.1 0, 0.0 -43,-0.5 -0.211 27.0-155.7 -81.0 169.3 29.0 57.7 31.8 175 179 A V S S- 0 0 85 47,-0.7 2,-0.4 1,-0.3 48,-0.1 0.731 79.2 -12.7-101.6 -71.5 32.8 58.1 31.4 176 180 A T - 0 0 36 17,-0.3 19,-2.6 46,-0.2 -1,-0.3 -1.000 62.5-145.8-137.5 138.6 34.0 55.7 34.1 177 181 A L E -i 195 0C 38 -2,-0.4 2,-1.0 17,-0.2 5,-0.1 -0.796 27.2-114.0-100.5 147.3 32.1 54.0 37.0 178 182 A D E +i 196 0C 36 17,-2.7 19,-0.5 -2,-0.3 3,-0.0 -0.760 56.2 150.6 -84.8 103.0 33.6 53.3 40.3 179 183 A T > - 0 0 16 -2,-1.0 4,-2.1 17,-0.1 5,-0.1 -0.915 57.0-120.0-132.2 150.5 33.7 49.5 40.5 180 184 A P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.824 116.4 54.5 -63.7 -31.7 36.2 47.1 42.2 181 185 A M H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 107.8 47.4 -66.4 -47.1 37.1 45.7 38.9 182 186 A N H > S+ 0 0 41 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.865 111.8 53.5 -58.7 -41.1 37.9 49.1 37.5 183 187 A R H < S+ 0 0 107 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.885 111.2 43.4 -61.9 -43.6 39.9 49.7 40.6 184 188 A K H < S+ 0 0 144 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 118.5 44.5 -72.2 -33.5 42.0 46.5 40.2 185 189 A S H < S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.528 123.6 33.1 -89.8 -14.2 42.5 47.1 36.5 186 190 A M S >< S+ 0 0 82 -4,-1.3 3,-0.8 -5,-0.2 -1,-0.2 -0.594 71.9 161.4-143.5 71.2 43.4 50.8 36.7 187 191 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.600 71.6 43.4 -72.2 -21.1 45.1 51.1 40.0 188 192 A E T 3 S+ 0 0 187 2,-0.1 2,-0.1 3,-0.0 -5,-0.1 0.184 89.4 112.5-113.1 14.4 46.9 54.4 39.6 189 193 A A S < S- 0 0 35 -3,-0.8 2,-1.2 -6,-0.2 3,-0.1 -0.367 81.7 -95.3 -80.8 164.3 44.0 56.3 38.0 190 194 A D > - 0 0 98 1,-0.2 3,-2.2 -2,-0.1 -1,-0.1 -0.710 34.4-173.2 -88.4 96.6 42.2 59.2 39.7 191 195 A F G > S+ 0 0 57 -2,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.665 77.6 78.3 -60.9 -20.5 39.2 57.5 41.3 192 196 A S G 3 S+ 0 0 39 1,-0.3 35,-2.9 34,-0.1 -1,-0.3 0.590 92.9 51.3 -67.1 -8.9 38.0 61.0 42.2 193 197 A S G < S+ 0 0 48 -3,-2.2 31,-0.5 33,-0.2 2,-0.4 0.195 91.2 97.4-110.5 9.4 36.8 61.2 38.6 194 198 A W S < S- 0 0 9 -3,-1.9 -17,-0.2 29,-0.1 33,-0.1 -0.837 78.3-117.2-102.2 139.6 34.9 57.9 38.7 195 199 A T E -i 177 0C 1 -19,-2.6 -17,-2.7 -2,-0.4 -2,-0.1 -0.663 25.8-124.5 -79.9 123.3 31.1 57.9 39.3 196 200 A P E >> -i 178 0C 39 0, 0.0 4,-0.9 0, 0.0 3,-0.6 -0.350 13.4-131.3 -64.3 140.3 30.0 56.2 42.5 197 201 A L H 3> S+ 0 0 12 -19,-0.5 4,-2.3 1,-0.2 3,-0.3 0.828 106.6 62.0 -60.1 -39.7 27.4 53.5 41.8 198 202 A E H 3> S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.844 95.6 60.4 -58.7 -35.2 25.2 54.9 44.5 199 203 A F H <> S+ 0 0 42 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.909 108.1 43.5 -59.6 -45.6 24.9 58.2 42.6 200 204 A L H X S+ 0 0 2 -4,-0.9 4,-3.2 -3,-0.3 5,-0.3 0.926 112.6 52.5 -66.0 -46.5 23.3 56.3 39.6 201 205 A V H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 111.4 46.6 -53.4 -49.4 21.1 54.3 42.0 202 206 A E H X S+ 0 0 103 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.862 113.7 49.7 -61.9 -38.2 19.8 57.5 43.6 203 207 A T H X S+ 0 0 5 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.908 110.1 48.7 -65.4 -49.7 19.3 59.1 40.2 204 208 A F H X S+ 0 0 2 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.923 109.6 54.0 -56.4 -48.9 17.3 56.1 38.9 205 209 A H H X S+ 0 0 39 -4,-2.4 4,-2.1 -5,-0.3 6,-0.2 0.887 109.3 48.2 -50.4 -48.9 15.2 56.2 42.1 206 210 A D H <>S+ 0 0 34 -4,-1.8 5,-1.8 1,-0.2 -1,-0.2 0.888 110.1 51.1 -59.0 -48.2 14.4 59.9 41.4 207 211 A W H ><5S+ 0 0 9 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.874 111.9 47.8 -58.2 -40.6 13.5 59.2 37.8 208 212 A I H 3<5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.7 49.9 -68.0 -47.1 11.1 56.4 38.8 209 213 A T T 3<5S- 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.102 122.3-102.8 -83.8 20.9 9.3 58.3 41.5 210 214 A G T X 5S+ 0 0 41 -3,-0.9 3,-0.6 1,-0.2 2,-0.5 0.310 74.7 141.8 75.9 -2.6 8.8 61.3 39.2 211 215 A N T 3 - 0 0 133 1,-0.1 3,-1.4 2,-0.1 2,-0.1 -0.215 53.6 -90.4 -62.5 157.5 12.3 64.1 28.5 216 220 A S T 3 S+ 0 0 41 1,-0.3 -46,-0.2 -49,-0.1 -1,-0.1 -0.413 115.6 35.3 -68.1 140.2 12.1 60.8 26.6 217 221 A G T 3 S+ 0 0 13 -48,-4.0 -1,-0.3 1,-0.3 2,-0.2 0.409 87.4 147.8 90.0 3.6 14.9 60.5 24.0 218 222 A S < - 0 0 25 -3,-1.4 -47,-2.7 -49,-0.5 2,-0.6 -0.482 40.4-151.8 -74.6 139.3 17.3 62.3 26.4 219 223 A L E -fG 171 234A 2 15,-0.9 15,-2.4 -2,-0.2 2,-0.7 -0.947 16.6-163.9-110.4 108.2 21.0 61.5 26.4 220 224 A I E -fG 172 233A 10 -49,-3.2 -47,-3.2 -2,-0.6 2,-0.3 -0.864 7.4-149.5-106.8 106.9 22.3 62.3 29.9 221 225 A Q E -fG 173 232A 24 11,-2.4 11,-2.2 -2,-0.7 2,-0.6 -0.513 7.0-155.6 -71.5 133.2 26.1 62.6 30.3 222 226 A V E +fG 174 231A 1 -49,-1.9 -47,-0.7 -2,-0.3 2,-0.4 -0.950 21.2 171.6-116.5 107.6 27.3 61.5 33.8 223 227 A V E - G 0 230A 42 7,-2.1 7,-2.6 -2,-0.6 2,-0.5 -0.984 16.4-160.1-128.6 127.2 30.6 63.2 34.6 224 228 A T E + G 0 229A 7 -31,-0.5 2,-0.4 -2,-0.4 5,-0.2 -0.933 11.1 175.2-114.7 126.2 32.4 63.3 37.9 225 229 A T E > S- G 0 228A 68 3,-2.4 3,-1.2 -2,-0.5 -32,-0.2 -0.987 75.7 -12.8-132.0 118.2 35.0 65.8 38.9 226 230 A D T 3 S- 0 0 136 -2,-0.4 -33,-0.2 1,-0.3 -1,-0.1 0.879 128.5 -53.7 58.8 42.4 36.5 65.7 42.4 227 231 A G T 3 S+ 0 0 56 -35,-2.9 2,-0.6 1,-0.2 -1,-0.3 0.498 115.0 114.4 72.1 7.5 33.8 63.4 43.7 228 232 A K E < -G 225 0A 92 -3,-1.2 -3,-2.4 -36,-0.3 2,-0.3 -0.947 53.1-154.4-113.0 117.7 31.0 65.6 42.5 229 233 A T E -G 224 0A 22 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.737 9.8-169.8 -93.7 140.6 28.8 64.2 39.7 230 234 A E E -G 223 0A 100 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.966 16.8-136.9-133.0 146.2 26.8 66.3 37.3 231 235 A L E +G 222 0A 68 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.903 25.0 177.8-104.0 121.8 24.2 65.5 34.7 232 236 A T E -G 221 0A 68 -11,-2.2 -11,-2.4 -2,-0.5 -2,-0.0 -0.958 24.5-127.8-134.5 118.5 24.5 67.2 31.3 233 237 A P E -G 220 0A 62 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.208 22.3-165.7 -59.9 143.5 22.2 66.7 28.3 234 238 A A E -G 219 0A 13 -15,-2.4 -15,-0.9 0, 0.0 2,-0.4 -0.950 11.5-135.2-132.1 148.6 23.6 65.8 24.9 235 239 A Y 0 0 191 -2,-0.3 -17,-0.1 1,-0.1 0, 0.0 -0.909 360.0 360.0-116.2 135.1 21.9 65.9 21.6 236 240 A F 0 0 156 -2,-0.4 -1,-0.1 -86,-0.1 -85,-0.0 0.699 360.0 360.0 -70.3 360.0 22.0 63.3 18.8