==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAR-13 4JQP . COMPND 2 MOLECULE: 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PHYMATUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.2 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 . 2 0.3 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 . 47 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.5 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 0 2 4 2 0 7 3 2 0 2 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 6 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 2 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 13 A N 0 0 147 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.7 33.5 42.0 -7.3 2 14 A Y - 0 0 92 328,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.425 360.0-144.7 -65.1 131.5 30.9 44.5 -8.3 3 15 A L - 0 0 67 -2,-0.1 31,-0.2 31,-0.1 30,-0.1 -0.904 24.7-130.3 -96.3 115.5 30.2 47.2 -5.6 4 16 A P - 0 0 10 0, 0.0 31,-3.0 0, 0.0 2,-0.5 -0.323 10.4-121.8 -70.9 147.2 26.5 48.0 -5.8 5 17 A V E -a 35 0A 10 29,-0.2 111,-2.9 31,-0.1 112,-0.6 -0.763 27.5-159.8 -81.1 126.4 25.2 51.5 -6.0 6 18 A I E -ab 36 117A 0 29,-2.3 31,-2.8 -2,-0.5 2,-0.8 -0.959 10.1-143.9-111.0 122.3 22.8 52.2 -3.0 7 19 A G E -ab 37 118A 0 110,-2.7 112,-2.5 -2,-0.5 2,-0.6 -0.785 18.7-163.3 -81.9 111.8 20.4 55.1 -3.3 8 20 A I E -ab 38 119A 0 29,-3.5 31,-2.7 -2,-0.8 2,-0.3 -0.892 5.9-149.1-100.8 116.7 20.2 56.5 0.2 9 21 A T E -ab 39 120A 2 110,-1.9 112,-2.2 -2,-0.6 31,-0.2 -0.679 8.7-141.2 -92.0 140.8 17.2 58.8 0.7 10 22 A M - 0 0 0 29,-2.1 11,-0.1 -2,-0.3 8,-0.1 0.674 30.9-159.9 -74.9 -19.5 17.6 61.6 3.2 11 23 A G - 0 0 1 88,-0.2 2,-0.5 87,-0.1 112,-0.3 -0.362 53.9 -1.9 71.3-148.7 14.1 61.3 4.7 12 24 A D > > - 0 0 0 110,-2.2 3,-1.8 1,-0.1 5,-0.6 -0.629 61.5-145.7 -82.9 122.5 12.6 64.2 6.6 13 25 A A T 3 5S+ 0 0 1 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.651 98.4 56.7 -63.9 -16.7 15.0 67.2 6.9 14 26 A A T 3 5S+ 0 0 0 74,-0.1 75,-3.1 78,-0.1 -1,-0.3 0.569 103.8 67.1 -86.4 -12.4 13.7 68.1 10.4 15 27 A G T < 5S- 0 0 0 -3,-1.8 3,-0.5 73,-0.2 4,-0.3 -0.242 105.0 -84.9 -98.1-170.9 14.5 64.6 11.7 16 28 A V T >5S+ 0 0 0 285,-1.9 4,-2.7 1,-0.2 5,-0.2 0.384 94.1 102.6 -79.1 0.4 17.7 62.7 12.3 17 29 A G H > S+ 0 0 0 -3,-0.5 4,-2.6 -6,-0.3 -1,-0.2 0.930 115.0 48.6 -61.0 -43.4 20.8 63.8 7.5 19 31 A E H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.917 111.9 46.7 -61.2 -48.4 22.8 63.3 10.6 20 32 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.875 112.3 51.9 -66.6 -33.3 22.7 59.6 10.5 21 33 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.952 111.8 45.3 -64.6 -48.8 23.6 59.6 6.8 22 34 A V H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.937 114.6 48.6 -62.6 -45.0 26.7 61.8 7.4 23 35 A K H >< S+ 0 0 40 -4,-2.7 3,-0.7 -5,-0.2 4,-0.3 0.907 111.2 51.5 -60.3 -41.9 27.8 59.7 10.4 24 36 A S H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 6,-0.3 0.933 104.6 53.9 -63.7 -43.6 27.4 56.5 8.4 25 37 A L H 3< S+ 0 0 2 -4,-2.2 47,-0.3 1,-0.3 -1,-0.2 0.580 92.6 72.8 -78.7 -4.6 29.4 57.5 5.4 26 38 A A T << S+ 0 0 67 -3,-0.7 2,-0.7 -4,-0.7 -1,-0.3 0.614 79.3 94.0 -73.7 -12.9 32.4 58.4 7.7 27 39 A H X> - 0 0 62 -3,-2.1 3,-1.4 -4,-0.3 4,-0.6 -0.721 67.7-153.9 -85.3 116.6 32.8 54.6 8.1 28 40 A A H >> S+ 0 0 60 -2,-0.7 3,-0.9 1,-0.2 4,-0.6 0.825 91.0 72.4 -52.4 -34.2 35.4 53.2 5.6 29 41 A S H >> S+ 0 0 59 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.844 87.6 61.6 -52.3 -36.9 33.5 49.8 6.0 30 42 A V H X> S+ 0 0 0 -3,-1.4 4,-2.2 -6,-0.3 3,-1.3 0.907 101.0 53.4 -57.0 -39.9 30.6 51.2 3.9 31 43 A Y H << S+ 0 0 27 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.620 101.7 57.5 -76.3 -14.6 32.9 51.7 1.0 32 44 A A H << S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.584 116.7 36.8 -82.1 -12.6 34.1 48.1 1.1 33 45 A Q H << S- 0 0 53 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.709 124.2 -12.2-108.3 -36.0 30.4 47.1 0.7 34 46 A C < - 0 0 1 -4,-2.2 -1,-0.2 -31,-0.2 -29,-0.2 -0.920 59.8-100.9-156.3 174.5 28.8 49.6 -1.7 35 47 A R E -a 5 0A 72 -31,-3.0 -29,-2.3 -2,-0.3 2,-0.6 -0.958 44.4-144.5-108.8 105.2 28.9 52.9 -3.6 36 48 A P E -a 6 0A 2 0, 0.0 2,-0.5 0, 0.0 39,-0.5 -0.642 19.4-177.0 -85.2 115.0 26.8 55.2 -1.5 37 49 A L E -a 7 0A 0 -31,-2.8 -29,-3.5 -2,-0.6 2,-0.5 -0.943 14.1-148.8-109.1 119.8 24.7 57.7 -3.4 38 50 A V E -ac 8 76A 0 37,-2.4 39,-2.8 -2,-0.5 2,-0.6 -0.777 8.0-164.9 -95.5 130.2 22.6 60.2 -1.4 39 51 A I E +ac 9 77A 0 -31,-2.7 -29,-2.1 -2,-0.5 2,-0.2 -0.955 56.5 66.8-104.9 115.9 19.3 61.6 -2.7 40 52 A G E S- c 0 78A 0 37,-2.4 39,-2.4 -2,-0.6 2,-0.5 -0.766 89.2 -27.0 176.7-132.2 18.4 64.6 -0.6 41 53 A D > - 0 0 3 -2,-0.2 4,-2.0 37,-0.2 5,-0.2 -0.975 35.0-159.9-129.6 112.8 19.5 68.1 0.3 42 54 A A H > S+ 0 0 0 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.912 94.5 50.3 -62.4 -41.2 23.1 69.1 -0.0 43 55 A K H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 109.9 52.1 -63.4 -41.0 22.8 72.1 2.3 44 56 A R H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 108.1 50.5 -62.7 -39.3 21.1 70.0 4.9 45 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.868 109.6 51.9 -64.2 -37.9 23.9 67.4 4.7 46 58 A E H X S+ 0 0 79 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 110.9 46.8 -60.4 -44.8 26.4 70.3 5.2 47 59 A R H X S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 112.0 51.2 -65.9 -42.4 24.5 71.5 8.3 48 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 106.8 54.1 -61.1 -41.2 24.4 67.9 9.6 49 61 A N H X>S+ 0 0 22 -4,-2.3 5,-2.5 2,-0.2 4,-0.7 0.929 108.6 48.4 -60.4 -41.1 28.1 67.5 9.1 50 62 A Q H ><5S+ 0 0 76 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.942 112.2 50.9 -61.7 -45.5 28.7 70.7 11.2 51 63 A I H 3<5S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.861 113.0 42.9 -60.1 -40.8 26.4 69.3 13.9 52 64 A V H 3<5S- 0 0 32 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.475 111.1-117.3 -90.0 -1.6 28.1 65.9 14.1 53 65 A G T <<5 + 0 0 69 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.824 61.0 157.3 70.3 32.4 31.6 67.4 14.0 54 66 A G < - 0 0 34 -5,-2.5 -1,-0.1 -6,-0.2 -31,-0.1 -0.229 50.2-138.6 -85.3 175.2 32.4 65.6 10.7 55 67 A E + 0 0 84 2,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.199 56.1 135.3-115.1 15.2 34.9 66.3 8.0 56 68 A M - 0 0 17 -11,-0.1 2,-0.3 -7,-0.1 17,-0.2 -0.357 38.8-158.2 -77.7 141.4 32.6 65.5 5.1 57 69 A K E -d 73 0A 137 15,-2.4 17,-2.8 -2,-0.1 2,-0.4 -0.797 15.6-135.7-105.9 153.9 32.4 67.7 2.0 58 70 A I E -d 74 0A 17 -2,-0.3 2,-0.6 15,-0.2 17,-0.2 -0.948 9.2-157.5-117.1 130.6 29.2 67.5 -0.2 59 71 A R E -d 75 0A 78 15,-3.0 17,-2.8 -2,-0.4 2,-0.5 -0.960 15.5-140.0-107.5 115.3 29.3 67.3 -4.0 60 72 A R E +d 76 0A 115 -2,-0.6 2,-0.3 15,-0.2 17,-0.2 -0.604 29.7 174.1 -76.7 121.3 26.1 68.5 -5.7 61 73 A I E -d 77 0A 7 15,-2.6 17,-1.1 -2,-0.5 3,-0.1 -0.914 30.8-159.3-129.3 156.8 25.2 66.3 -8.7 62 74 A E S S+ 0 0 166 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.811 80.0 34.3 -98.0 -40.1 22.3 66.1 -11.1 63 75 A D S > S- 0 0 62 1,-0.1 3,-2.1 14,-0.0 4,-0.3 -0.912 77.5-122.2-124.8 143.1 22.7 62.5 -12.4 64 76 A A G > S+ 0 0 10 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.781 107.4 71.1 -52.2 -30.2 23.9 59.3 -10.7 65 77 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -4,-0.0 0.717 90.0 61.7 -62.8 -19.9 26.6 59.0 -13.4 66 78 A E G < S+ 0 0 90 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.651 75.7 114.4 -79.4 -17.9 28.4 62.0 -11.9 67 79 A A < - 0 0 15 -3,-1.6 -30,-0.1 -4,-0.3 7,-0.0 -0.319 41.6-175.0 -61.5 134.3 29.0 60.3 -8.5 68 80 A R - 0 0 43 5,-0.1 -1,-0.1 2,-0.1 6,-0.1 0.644 22.7-145.0-100.9 -22.9 32.7 59.6 -7.7 69 81 A Y + 0 0 36 1,-0.2 2,-0.6 -33,-0.1 5,-0.1 0.878 37.2 162.9 54.4 40.5 32.3 57.7 -4.4 70 82 A E > - 0 0 106 3,-0.3 3,-2.2 1,-0.0 -1,-0.2 -0.813 44.9-112.1 -86.7 125.2 35.5 59.2 -3.0 71 83 A Q T 3 S+ 0 0 113 -2,-0.6 -45,-0.1 1,-0.3 3,-0.1 -0.249 103.9 32.1 -57.9 137.8 35.7 58.8 0.8 72 84 A G T 3 S+ 0 0 29 -47,-0.3 -15,-2.4 -15,-0.0 2,-0.4 0.228 108.9 76.4 99.5 -15.7 35.3 62.2 2.5 73 85 A T E < S- d 0 57A 30 -3,-2.2 2,-0.5 -17,-0.2 -3,-0.3 -0.966 70.3-148.9-135.3 115.7 33.0 63.6 -0.2 74 86 A I E - d 0 58A 1 -17,-2.8 -15,-3.0 -2,-0.4 2,-0.6 -0.728 12.2-137.3 -90.8 125.0 29.4 62.6 -0.3 75 87 A D E - d 0 59A 1 -2,-0.5 -37,-2.4 -39,-0.5 2,-0.5 -0.727 28.4-170.7 -79.3 115.5 27.8 62.6 -3.8 76 88 A C E -cd 38 60A 0 -17,-2.8 -15,-2.6 -2,-0.6 2,-1.2 -0.944 28.4-148.0-120.0 116.9 24.4 64.2 -3.3 77 89 A I E -cd 39 61A 3 -39,-2.8 -37,-2.4 -2,-0.5 2,-0.7 -0.727 37.4-155.8 -73.2 99.3 21.6 64.3 -5.9 78 90 A D E -c 40 0A 47 -2,-1.2 -37,-0.2 -17,-1.1 -39,-0.1 -0.789 28.0-177.1 -97.2 109.2 20.5 67.6 -4.5 79 91 A L - 0 0 41 -39,-2.4 -38,-0.2 -2,-0.7 -1,-0.1 0.600 32.5-139.3 -81.5 -11.4 16.9 68.6 -5.1 80 92 A G + 0 0 54 -40,-0.4 -39,-0.1 1,-0.1 -2,-0.1 0.724 60.0 129.2 64.6 28.6 17.4 71.9 -3.4 81 93 A L + 0 0 63 -41,-0.2 17,-0.1 2,-0.1 -1,-0.1 0.675 42.0 83.7 -89.6 -20.5 14.1 71.8 -1.5 82 94 A I S S- 0 0 9 16,-0.1 -39,-0.1 13,-0.1 -38,-0.1 -0.760 75.5-127.6 -97.7 118.4 15.1 72.6 2.1 83 95 A P > - 0 0 51 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.329 24.4-119.1 -55.8 145.1 15.5 76.2 3.3 84 96 A D T 3 S+ 0 0 146 1,-0.3 -2,-0.0 -37,-0.0 -37,-0.0 0.799 111.8 47.1 -55.5 -33.3 18.8 76.8 5.0 85 97 A D T 3 S+ 0 0 137 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.231 73.5 140.1 -98.9 15.2 17.1 77.8 8.2 86 98 A L < - 0 0 20 -3,-2.0 6,-0.0 1,-0.1 -4,-0.0 -0.386 55.1-119.9 -60.8 126.7 14.5 75.0 8.5 87 99 A P > - 0 0 62 0, 0.0 3,-0.6 0, 0.0 2,-0.2 -0.338 17.6-127.1 -70.3 145.7 14.4 74.1 12.2 88 100 A F T 3 S+ 0 0 46 1,-0.2 -73,-0.2 218,-0.1 -74,-0.1 -0.583 88.4 29.9 -77.2 151.2 15.2 70.6 13.3 89 101 A G T 3 S+ 0 0 25 -75,-3.1 2,-0.3 -2,-0.2 -1,-0.2 0.577 97.3 98.4 81.9 13.2 12.7 68.8 15.5 90 102 A Q S < S- 0 0 119 -3,-0.6 -1,-0.2 -76,-0.0 2,-0.1 -0.977 78.0-101.4-132.9 146.8 9.5 70.4 14.1 91 103 A L - 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.416 41.7-177.2 -67.0 140.0 6.9 69.3 11.6 92 104 A S > - 0 0 19 1,-0.1 4,-2.5 -2,-0.1 39,-0.2 -0.985 30.4-152.9-145.1 126.0 7.3 70.9 8.2 93 105 A A H > S+ 0 0 46 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.887 103.7 51.6 -61.7 -39.0 5.2 70.6 5.0 94 106 A I H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 111.4 46.8 -66.0 -43.9 8.2 71.4 2.9 95 107 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -82,-0.2 0.893 111.6 51.7 -64.4 -39.1 10.3 68.7 4.7 96 108 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 31,-0.2 -2,-0.2 0.931 112.1 45.2 -64.0 -47.5 7.4 66.2 4.3 97 109 A D H X S+ 0 0 40 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.935 111.2 53.2 -59.1 -47.7 7.1 66.9 0.6 98 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.898 105.1 54.8 -58.5 -39.7 10.9 66.7 0.1 99 111 A A H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -88,-0.2 0.924 110.3 47.1 -57.4 -43.0 11.0 63.3 1.8 100 112 A Y H X S+ 0 0 33 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.921 109.6 53.6 -61.8 -46.5 8.4 62.1 -0.8 101 113 A Q H X S+ 0 0 52 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.880 107.0 51.0 -62.7 -36.7 10.5 63.7 -3.6 102 114 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 112.2 46.5 -64.5 -43.3 13.6 61.8 -2.5 103 115 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.911 111.2 52.6 -61.3 -46.4 11.7 58.5 -2.5 104 116 A K H X S+ 0 0 77 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.918 110.5 47.8 -57.8 -41.2 10.2 59.3 -5.9 105 117 A R H X S+ 0 0 77 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.906 109.6 52.3 -69.2 -38.9 13.6 60.0 -7.3 106 118 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 108.7 50.9 -60.8 -41.3 15.0 56.7 -5.8 107 119 A V H X S+ 0 0 17 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.887 110.0 50.1 -63.9 -40.7 12.1 54.8 -7.4 108 120 A E H X S+ 0 0 90 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 111.3 48.7 -61.4 -44.9 12.9 56.5 -10.8 109 121 A L H X>S+ 0 0 12 -4,-2.6 5,-2.4 1,-0.2 6,-0.8 0.885 110.5 50.4 -64.9 -37.4 16.6 55.5 -10.5 110 122 A A H ><5S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.928 109.0 52.3 -66.1 -41.8 15.7 51.9 -9.6 111 123 A Q H 3<5S+ 0 0 135 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 111.7 45.7 -62.6 -37.7 13.4 51.7 -12.6 112 124 A S H 3<5S- 0 0 66 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.477 114.8-115.4 -84.9 -2.0 16.2 52.9 -15.0 113 125 A G T <<5S+ 0 0 33 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.697 79.6 124.9 74.7 23.5 18.8 50.6 -13.4 114 126 A K S - 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0 0 5 -6,-0.3 2,-0.4 1,-0.1 -288,-0.0 -0.263 62.9-125.8 -51.6 137.9 21.8 60.0 16.9 312 324 A D - 0 0 112 1,-0.1 3,-0.4 -289,-0.0 4,-0.3 -0.748 13.9-158.7 -94.2 134.3 23.6 56.6 16.6 313 325 A E > + 0 0 33 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.395 64.7 101.8 -95.6 7.5 24.4 55.3 13.2 314 326 A G H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 84.3 46.9 -56.0 -48.5 24.7 51.5 14.1 315 327 A S H > S+ 0 0 31 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.924 112.2 49.6 -60.9 -44.9 21.3 50.6 12.7 316 328 A M H > S+ 0 0 1 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.880 107.9 54.1 -65.0 -38.2 21.9 52.6 9.5 317 329 A L H X S+ 0 0 31 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.907 110.5 46.6 -59.8 -42.8 25.3 50.9 8.9 318 330 A E H X S+ 0 0 37 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.874 109.6 54.3 -68.4 -35.3 23.6 47.5 9.3 319 331 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 110.5 46.6 -64.4 -41.0 20.8 48.6 6.9 320 332 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.910 112.2 50.0 -63.7 -43.8 23.4 49.6 4.3 321 333 A R H X S+ 0 0 72 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.907 113.2 45.2 -61.9 -47.8 25.3 46.3 4.8 322 334 A Q H X S+ 0 0 8 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.874 113.1 51.8 -62.7 -39.4 22.1 44.2 4.4 323 335 A G H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.886 108.3 50.6 -63.1 -43.1 21.1 46.3 1.4 324 336 A A H >< S+ 0 0 9 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.900 108.5 52.4 -63.7 -40.3 24.5 45.8 -0.3 325 337 A E H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 117.6 37.7 -62.8 -34.7 24.2 42.0 0.3 326 338 A L H 3< S+ 0 0 6 -4,-1.5 -33,-0.3 -5,-0.1 -1,-0.2 0.325 90.3 126.9-101.1 4.4 20.8 41.9 -1.4 327 339 A A S << S- 0 0 0 -3,-0.8 2,-0.2 -4,-0.6 -210,-0.2 -0.199 74.4 -85.8 -62.3 154.2 21.4 44.5 -4.1 328 340 A T - 0 0 16 -212,-2.6 -131,-0.2 -35,-0.1 2,-0.2 -0.433 46.2-129.3 -60.6 124.2 20.8 43.7 -7.7 329 341 A R 0 0 121 -133,-2.9 -131,-0.1 -2,-0.2 -1,-0.1 -0.548 360.0 360.0 -77.3 139.5 23.9 42.0 -9.2 330 342 A R 0 0 168 -2,-0.2 -328,-0.2 0, 0.0 -214,-0.0 -0.911 360.0 360.0-119.5 360.0 25.2 43.6 -12.4 331 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 332 13 B N 0 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.1 29.4 20.8 43.6 333 14 B Y - 0 0 84 328,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.497 360.0-144.6 -60.5 126.0 26.6 18.4 44.4 334 15 B L - 0 0 65 -2,-0.2 31,-0.2 31,-0.1 30,-0.1 -0.887 22.7-132.8 -93.0 113.1 26.3 15.7 41.7 335 16 B P - 0 0 10 0, 0.0 31,-2.8 0, 0.0 2,-0.5 -0.337 10.5-121.0 -68.2 143.0 22.5 15.0 41.5 336 17 B V E -l 366 0B 9 29,-0.2 111,-2.8 31,-0.1 112,-0.7 -0.716 27.7-159.3 -78.0 126.1 21.2 11.4 41.5 337 18 B I E -lm 367 448B 0 29,-2.4 31,-3.0 -2,-0.5 2,-0.7 -0.954 9.4-144.5-110.6 121.3 19.3 10.8 38.2 338 19 B G E -lm 368 449B 0 110,-2.8 112,-2.5 -2,-0.5 2,-0.6 -0.777 19.1-164.2 -80.4 113.5 16.8 7.9 38.2 339 20 B I E -lm 369 450B 1 29,-3.3 31,-2.9 -2,-0.7 2,-0.4 -0.887 6.4-148.9-103.0 116.2 17.0 6.5 34.6 340 21 B T E -lm 370 451B 1 110,-1.8 112,-2.1 -2,-0.6 31,-0.2 -0.670 8.7-141.0 -87.1 139.8 14.1 4.2 33.7 341 22 B M - 0 0 0 29,-2.2 -1,-0.1 -2,-0.4 8,-0.1 0.693 32.1-159.5 -73.0 -18.6 14.9 1.4 31.2 342 23 B G - 0 0 2 88,-0.2 2,-0.5 87,-0.1 112,-0.3 -0.368 52.5 -2.7 72.3-156.4 11.7 1.7 29.2 343 24 B D > > - 0 0 0 110,-2.0 3,-1.6 1,-0.1 5,-0.5 -0.602 63.0-144.7 -74.5 120.6 10.4 -1.2 27.1 344 25 B A T 3 5S+ 0 0 1 -2,-0.5 -1,-0.1 1,-0.3 110,-0.0 0.609 97.6 56.1 -62.9 -16.1 12.8 -4.1 27.1 345 26 B A T 3 5S+ 0 0 0 74,-0.1 75,-3.0 78,-0.1 -1,-0.3 0.568 103.2 68.5 -88.6 -16.4 12.1 -5.0 23.5 346 27 B G T X 5S- 0 0 0 -3,-1.6 3,-0.5 73,-0.2 4,-0.3 -0.274 104.4 -85.6 -91.5-172.5 13.0 -1.5 22.4 347 28 B V T 3>5S+ 0 0 0 285,-2.1 4,-2.8 1,-0.2 5,-0.3 0.416 94.9 101.6 -75.3 -2.4 16.4 0.4 22.2 348 29 B G H 3> S+ 0 0 0 -3,-0.5 4,-2.4 -6,-0.3 -1,-0.2 0.933 114.9 48.0 -60.4 -43.6 18.6 -0.8 27.4 350 31 B E H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.918 111.6 48.7 -62.2 -45.1 21.1 -0.3 24.6 351 32 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.876 111.8 50.1 -67.0 -30.7 21.0 3.5 24.8 352 33 B V H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.945 112.4 46.4 -69.4 -45.9 21.4 3.4 28.6 353 34 B V H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.901 114.9 46.4 -68.7 -38.8 24.4 1.1 28.4 354 35 B K H >< S+ 0 0 40 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.904 111.9 52.7 -66.9 -40.0 26.0 3.2 25.6 355 36 B S H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.3 0.907 104.1 53.9 -63.0 -41.9 25.3 6.4 27.4 356 37 B L H 3< S+ 0 0 3 -4,-2.3 47,-0.4 1,-0.3 -1,-0.2 0.573 92.0 73.3 -79.1 -3.3 26.9 5.4 30.7 357 38 B A T << S+ 0 0 68 -3,-0.9 2,-0.6 -4,-0.6 -1,-0.3 0.515 79.5 93.9 -74.1 -14.3 30.2 4.5 28.9 358 39 B H X> - 0 0 62 -3,-1.8 3,-1.2 -4,-0.2 4,-0.6 -0.783 67.6-153.9 -85.0 121.1 30.8 8.2 28.6 359 40 B A H >> S+ 0 0 59 -2,-0.6 3,-0.9 1,-0.3 4,-0.7 0.791 90.1 73.9 -59.6 -30.9 32.9 9.7 31.4 360 41 B S H >> S+ 0 0 59 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.858 87.2 62.1 -51.5 -38.2 31.1 13.0 30.8 361 42 B V H X> S+ 0 0 0 -3,-1.2 4,-2.3 -6,-0.3 3,-1.3 0.897 99.9 53.4 -55.4 -39.9 28.0 11.7 32.4 362 43 B Y H << S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.607 102.0 58.7 -79.1 -13.3 29.8 11.2 35.7 363 44 B A H << S+ 0 0 79 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.569 116.4 35.5 -76.2 -18.0 31.0 14.8 35.7 364 45 B Q H << S- 0 0 52 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.749 124.8 -12.0-107.6 -33.9 27.3 15.8 35.6 365 46 B C < - 0 0 1 -4,-2.3 -1,-0.3 -31,-0.2 -29,-0.2 -0.910 58.7-102.3-159.3 172.2 25.4 13.3 37.7 366 47 B R E -l 336 0B 76 -31,-2.8 -29,-2.4 -2,-0.3 2,-0.6 -0.963 45.0-144.9-109.8 105.0 25.2 10.0 39.6 367 48 B P E -l 337 0B 2 0, 0.0 2,-0.5 0, 0.0 39,-0.5 -0.677 18.0-174.1 -85.3 118.1 23.3 7.8 37.2 368 49 B L E -l 338 0B 0 -31,-3.0 -29,-3.3 -2,-0.6 2,-0.5 -0.941 12.4-149.5-111.3 117.8 20.9 5.2 38.8 369 50 B V E -ln 339 407B 0 37,-2.4 39,-2.7 -2,-0.5 2,-0.6 -0.766 7.9-164.7 -95.2 129.9 19.2 2.7 36.5 370 51 B I E +ln 340 408B 0 -31,-2.9 -29,-2.2 -2,-0.5 2,-0.2 -0.956 55.8 70.3-105.6 116.4 15.8 1.3 37.3 371 52 B G E S- n 0 409B 0 37,-2.4 39,-2.7 -2,-0.6 2,-0.4 -0.712 87.7 -32.1 179.1-137.6 15.3 -1.7 35.1 372 53 B D > - 0 0 3 37,-0.2 4,-2.0 -2,-0.2 5,-0.2 -0.983 35.5-157.3-129.7 117.2 16.4 -5.2 34.4 373 54 B A H > S+ 0 0 0 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.932 95.0 50.2 -65.0 -43.6 20.0 -6.2 35.2 374 55 B K H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 109.5 52.1 -60.6 -39.0 20.0 -9.2 32.8 375 56 B R H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.880 108.5 50.2 -66.8 -36.9 18.6 -7.0 30.0 376 57 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.894 109.5 52.0 -66.4 -37.4 21.4 -4.5 30.6 377 58 B E H X S+ 0 0 68 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 110.4 47.9 -62.0 -43.9 23.9 -7.3 30.4 378 59 B R H X S+ 0 0 93 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.932 111.6 50.9 -62.2 -42.7 22.5 -8.5 27.1 379 60 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-0.2 0.904 106.2 54.9 -63.3 -40.1 22.6 -4.9 25.8 380 61 B N H X>S+ 0 0 24 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.933 110.0 46.0 -58.7 -44.1 26.2 -4.6 26.9 381 62 B Q H ><5S+ 0 0 62 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.931 112.3 52.0 -62.3 -43.2 27.1 -7.7 24.8 382 63 B I H 3<5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 114.0 41.8 -62.7 -37.9 25.0 -6.3 21.9 383 64 B V H 3<5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.454 111.0-117.6 -90.6 -0.9 26.8 -2.9 21.9 384 65 B G T <<5 + 0 0 69 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.798 61.1 157.1 67.9 28.6 30.3 -4.4 22.5 385 66 B G < - 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