==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-04 1V0H . COMPND 2 MOLECULE: ASCORBATE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR K.H.SHARP,E.L.RAVEN,P.C.E.MOODY . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.2 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 1 0 0 0 4 0 1 0 2 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 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 . 1 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 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 X S 0 0 155 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.4 34.1 39.2 19.2 2 2 X G + 0 0 71 1,-0.3 2,-0.3 247,-0.0 0, 0.0 0.469 360.0 132.0 75.5 5.0 36.4 39.6 16.2 3 3 X K - 0 0 50 2,-0.0 2,-0.4 1,-0.0 -1,-0.3 -0.677 40.0-175.3 -97.5 140.7 37.7 42.8 17.7 4 4 X S - 0 0 95 244,-2.4 244,-0.0 -2,-0.3 -1,-0.0 -0.898 25.3-148.2-127.5 99.6 41.3 43.9 18.1 5 5 X Y - 0 0 70 -2,-0.4 113,-0.1 1,-0.1 2,-0.0 -0.396 15.9-115.2 -76.9 142.5 41.2 47.2 20.1 6 6 X P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.282 24.9-108.1 -73.2 158.8 43.8 49.8 19.4 7 7 X T - 0 0 141 111,-0.1 2,-0.3 -2,-0.0 111,-0.0 -0.700 35.4-173.4 -78.3 133.1 46.4 51.1 21.9 8 8 X V - 0 0 39 -2,-0.4 5,-0.0 1,-0.0 0, 0.0 -0.939 30.2 -95.9-124.7 156.7 45.9 54.5 23.2 9 9 X S > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.170 31.5-109.7 -67.2 164.9 48.2 56.5 25.4 10 10 X A H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 121.4 53.2 -59.7 -41.7 48.1 56.6 29.2 11 11 X D H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 107.5 51.6 -64.2 -34.8 47.0 60.3 29.0 12 12 X Y H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 110.5 47.8 -65.2 -47.0 44.2 59.2 26.6 13 13 X Q H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 109.5 53.7 -60.0 -40.3 43.0 56.6 29.0 14 14 X K H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.904 108.5 50.1 -60.1 -43.2 43.1 59.1 31.9 15 15 X A H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.883 107.3 53.7 -64.7 -39.1 40.9 61.4 29.9 16 16 X V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.939 110.6 46.8 -58.3 -47.7 38.4 58.7 29.2 17 17 X E H X S+ 0 0 79 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.913 115.2 45.1 -64.1 -42.6 38.1 57.9 32.9 18 18 X K H X S+ 0 0 86 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 112.3 51.3 -69.0 -39.7 37.7 61.6 33.8 19 19 X A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.862 104.5 58.1 -64.7 -36.7 35.2 62.2 31.0 20 20 X K H X S+ 0 0 44 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.932 109.7 44.0 -57.3 -46.9 33.1 59.3 32.2 21 21 X K H X S+ 0 0 116 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.939 114.0 49.3 -64.0 -47.3 32.7 60.8 35.6 22 22 X K H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 110.6 51.1 -61.1 -39.6 32.0 64.3 34.2 23 23 X L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.866 105.7 56.1 -65.9 -39.2 29.4 62.9 31.8 24 24 X R H X S+ 0 0 85 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.968 112.3 40.7 -54.9 -55.5 27.6 61.1 34.7 25 25 X G H X S+ 0 0 46 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.927 118.1 47.4 -63.9 -42.1 27.1 64.2 36.7 26 26 X F H X S+ 0 0 58 -4,-2.3 4,-2.4 -5,-0.2 6,-0.2 0.931 114.7 44.0 -64.9 -48.8 26.3 66.4 33.7 27 27 X I H X>S+ 0 0 1 -4,-2.8 4,-1.1 2,-0.2 5,-1.1 0.909 114.5 50.2 -67.2 -41.1 23.8 63.9 32.2 28 28 X A H <5S+ 0 0 61 -4,-2.5 3,-0.4 -5,-0.3 -2,-0.2 0.946 114.5 44.0 -60.9 -47.6 22.1 63.2 35.5 29 29 X E H <5S+ 0 0 147 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.885 115.4 46.5 -66.3 -39.7 21.7 66.9 36.4 30 30 X K H <5S- 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.597 98.7-135.2 -82.2 -11.8 20.5 67.9 32.9 31 31 X R T <5 + 0 0 179 -4,-1.1 -3,-0.2 -3,-0.4 4,-0.2 0.776 67.3 125.4 64.8 29.5 18.0 65.0 32.7 32 32 X C >< + 0 0 8 -5,-1.1 4,-2.2 -6,-0.2 5,-0.2 0.200 18.7 118.8-109.2 17.3 19.1 64.4 29.1 33 33 X A H > S+ 0 0 3 -6,-0.5 4,-2.4 1,-0.2 5,-0.2 0.896 77.8 49.4 -49.9 -50.9 20.1 60.7 29.3 34 34 X P H > S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.929 110.6 50.1 -58.4 -42.8 17.5 59.6 26.7 35 35 X L H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.884 112.0 48.6 -61.4 -36.8 18.6 62.3 24.3 36 36 X M H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.868 109.3 51.1 -73.5 -36.5 22.2 61.3 24.7 37 37 X L H X S+ 0 0 13 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.932 111.4 49.5 -61.4 -45.4 21.4 57.6 24.1 38 38 X R H X S+ 0 0 60 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.921 109.9 51.7 -59.7 -41.2 19.6 58.7 20.9 39 39 X L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.947 112.4 44.0 -59.1 -51.3 22.6 60.8 19.9 40 40 X A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.901 115.7 47.5 -62.4 -42.9 25.1 57.9 20.3 41 41 X W H X S+ 0 0 50 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.909 110.9 50.9 -69.4 -40.3 22.8 55.4 18.6 42 42 X H H < S+ 0 0 17 -4,-2.8 4,-0.2 -5,-0.2 -1,-0.2 0.845 111.5 49.2 -67.6 -30.7 22.0 57.7 15.6 43 43 X S H >< S+ 0 0 1 -4,-1.9 3,-0.6 -5,-0.2 12,-0.4 0.936 119.6 36.6 -68.7 -45.6 25.8 58.3 15.2 44 44 X A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.821 103.5 71.0 -75.8 -33.1 26.6 54.5 15.3 45 45 X G T 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.409 79.5 75.5 -76.4 1.4 23.5 53.2 13.4 46 46 X T T < + 0 0 4 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.367 66.2 128.0 -88.3 3.0 24.5 54.5 10.0 47 47 X F < - 0 0 13 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.382 41.1-165.9 -65.2 135.0 27.1 51.8 9.6 48 48 X D B >> -A 53 0A 38 5,-2.3 4,-1.8 1,-0.1 5,-1.0 -0.972 6.5-160.0-120.8 113.2 26.8 49.8 6.3 49 49 X K T 45S+ 0 0 103 99,-3.0 -1,-0.1 -2,-0.5 99,-0.1 0.843 86.2 59.3 -65.2 -34.0 28.9 46.6 6.5 50 50 X G T 45S+ 0 0 70 97,-0.3 -1,-0.2 1,-0.2 98,-0.1 0.877 122.7 22.1 -63.1 -41.5 29.1 46.1 2.7 51 51 X T T 45S- 0 0 86 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.504 96.9-131.6-100.4 -10.9 30.8 49.5 2.0 52 52 X K T <5 + 0 0 156 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.808 60.5 139.3 55.7 35.8 32.2 50.0 5.6 53 53 X T B < +A 48 0A 54 -5,-1.0 -5,-2.3 -7,-0.1 -1,-0.2 -0.702 46.2 12.2-105.4 161.3 30.8 53.6 5.5 54 54 X G + 0 0 12 70,-0.3 -7,-0.2 -2,-0.3 -10,-0.1 -0.260 69.5 122.6 68.2-160.5 29.1 55.4 8.4 55 55 X G S S- 0 0 0 -12,-0.4 2,-2.2 -13,-0.2 4,-0.4 -0.392 76.5 -27.7 93.8-178.7 29.2 54.2 11.9 56 56 X P S S+ 0 0 0 0, 0.0 -12,-0.2 0, 0.0 42,-0.1 -0.417 85.0 122.1 -77.5 73.0 30.4 55.6 15.3 57 57 X F S S- 0 0 10 -2,-2.2 65,-2.3 -14,-0.3 37,-0.2 -0.096 85.3 -97.7-129.4 32.2 33.1 58.0 14.0 58 58 X G S > S+ 0 0 0 35,-0.2 3,-1.1 63,-0.2 4,-0.1 0.455 84.0 125.5 77.9 4.7 31.9 61.3 15.3 59 59 X T G > + 0 0 5 -4,-0.4 3,-1.9 1,-0.2 6,-0.3 0.604 50.0 85.2 -77.9 -10.9 30.2 62.6 12.2 60 60 X I G 3 S+ 0 0 0 1,-0.3 -1,-0.2 5,-0.1 18,-0.1 0.703 80.5 65.8 -64.5 -18.3 26.8 63.3 13.9 61 61 X K G < S+ 0 0 45 -3,-1.1 -1,-0.3 4,-0.1 -2,-0.1 0.667 78.1 103.7 -74.7 -17.3 28.1 66.7 15.0 62 62 X H S X> S- 0 0 54 -3,-1.9 4,-2.3 1,-0.1 3,-0.8 -0.497 77.9-131.2 -69.6 129.0 28.3 67.9 11.3 63 63 X P H 3> S+ 0 0 106 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.817 106.5 59.7 -44.5 -38.1 25.4 70.2 10.4 64 64 X A H 34 S+ 0 0 66 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.865 109.8 40.5 -63.4 -41.4 24.8 68.1 7.3 65 65 X E H X4 S+ 0 0 0 -3,-0.8 3,-1.3 -6,-0.3 -1,-0.2 0.867 110.5 57.2 -75.4 -36.2 24.1 64.9 9.3 66 66 X L H 3< S+ 0 0 28 -4,-2.3 8,-0.2 1,-0.3 9,-0.2 0.764 99.6 63.2 -62.1 -24.1 22.1 66.8 12.0 67 67 X A T 3< S+ 0 0 73 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.603 74.0 111.0 -79.0 -16.1 19.8 68.0 9.2 68 68 X H S X S- 0 0 23 -3,-1.3 3,-1.7 -4,-0.2 4,-0.1 -0.393 78.3-125.6 -54.7 137.1 18.7 64.4 8.4 69 69 X S G > S+ 0 0 77 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.846 109.6 58.8 -60.2 -34.5 15.1 64.2 9.4 70 70 X A G 3 S+ 0 0 39 1,-0.3 -1,-0.3 61,-0.1 -2,-0.1 0.654 103.3 56.4 -69.4 -15.0 15.7 61.2 11.7 71 71 X N G X S+ 0 0 0 -3,-1.7 3,-2.4 -6,-0.2 4,-0.4 0.267 73.4 144.6 -98.6 10.8 18.1 63.4 13.6 72 72 X N T < S+ 0 0 63 -3,-1.7 101,-0.1 1,-0.3 -5,-0.1 -0.290 73.9 15.0 -48.3 121.8 15.6 66.2 14.3 73 73 X G T >> S+ 0 0 12 -7,-0.2 3,-1.2 99,-0.1 4,-0.7 0.168 92.7 106.2 98.2 -16.0 16.5 67.6 17.8 74 74 X L H <> + 0 0 0 -3,-2.4 4,-2.2 1,-0.3 5,-0.2 0.681 63.7 75.9 -74.9 -14.1 20.0 66.1 18.1 75 75 X D H 3> S+ 0 0 96 -4,-0.4 4,-2.3 -9,-0.2 -1,-0.3 0.858 91.9 56.6 -58.0 -33.7 21.5 69.5 17.5 76 76 X I H <> S+ 0 0 43 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.918 106.1 49.1 -62.5 -45.1 20.5 70.2 21.1 77 77 X A H X S+ 0 0 0 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.924 110.5 49.4 -62.1 -44.2 22.5 67.2 22.3 78 78 X V H X S+ 0 0 17 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.927 112.8 47.9 -61.2 -44.1 25.6 68.2 20.4 79 79 X R H < S+ 0 0 155 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.897 108.8 53.7 -62.1 -44.6 25.3 71.8 21.8 80 80 X L H < S+ 0 0 24 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.852 113.3 43.5 -59.3 -38.0 24.9 70.5 25.3 81 81 X L H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 3,-0.3 0.679 90.8 85.4 -82.5 -17.0 28.0 68.4 25.1 82 82 X E H X S+ 0 0 67 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.2 0.887 88.0 49.3 -61.8 -42.4 30.3 70.9 23.4 83 83 X P H 4 S+ 0 0 88 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.901 115.1 45.9 -60.7 -37.5 31.5 72.7 26.6 84 84 X L H >4 S+ 0 0 16 -4,-0.4 3,-1.4 -3,-0.3 4,-0.4 0.910 109.4 53.9 -69.9 -43.9 32.3 69.4 28.2 85 85 X K H >< S+ 0 0 9 -4,-2.7 3,-2.0 1,-0.3 6,-0.2 0.882 100.7 62.3 -55.4 -38.5 34.0 68.0 25.1 86 86 X A T 3< S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.711 95.0 60.0 -64.9 -20.2 36.2 71.1 25.2 87 87 X E T < S+ 0 0 120 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.591 108.0 47.5 -76.4 -12.7 37.6 70.0 28.6 88 88 X F X + 0 0 11 -3,-2.0 3,-1.4 -4,-0.4 -1,-0.2 -0.548 64.0 159.8-127.8 63.2 38.9 66.8 26.9 89 89 X P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 70.6 63.7 -58.6 -27.5 40.6 68.0 23.8 90 90 X I T 3 S+ 0 0 85 -3,-0.1 2,-0.2 -79,-0.1 -78,-0.1 0.769 87.9 87.6 -69.5 -25.2 42.6 64.7 23.5 91 91 X L S < S- 0 0 7 -3,-1.4 2,-0.1 -6,-0.2 -3,-0.1 -0.495 80.4-120.4 -77.9 142.1 39.5 62.6 23.0 92 92 X S > - 0 0 15 -2,-0.2 4,-2.2 27,-0.2 5,-0.1 -0.451 20.9-123.6 -67.2 149.9 37.9 61.9 19.6 93 93 X Y H > S+ 0 0 54 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.885 113.4 59.2 -58.4 -39.2 34.4 63.1 19.3 94 94 X A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 108.3 42.0 -57.3 -51.0 33.5 59.5 18.3 95 95 X D H > S+ 0 0 2 24,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.911 114.8 52.5 -60.8 -42.1 34.8 58.2 21.6 96 96 X F H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.921 111.9 43.6 -64.0 -46.3 33.2 61.0 23.6 97 97 X Y H X S+ 0 0 2 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.887 114.7 48.7 -68.3 -41.3 29.7 60.5 22.0 98 98 X Q H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.897 111.3 51.2 -65.9 -37.2 29.8 56.8 22.4 99 99 X L H X S+ 0 0 3 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.911 106.9 54.4 -62.7 -41.6 31.0 57.2 26.0 100 100 X A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 107.7 50.3 -59.4 -38.6 28.0 59.6 26.6 101 101 X G H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.908 110.7 47.8 -65.8 -41.2 25.7 56.8 25.3 102 102 X V H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 11,-0.3 0.915 113.7 48.5 -63.4 -43.6 27.2 54.2 27.6 103 103 X V H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.894 105.1 58.3 -65.5 -39.6 26.9 56.7 30.5 104 104 X A H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.906 109.0 45.6 -56.4 -42.4 23.3 57.6 29.7 105 105 X V H <>S+ 0 0 0 -4,-1.5 5,-2.6 2,-0.2 3,-0.3 0.926 115.1 47.8 -67.1 -44.3 22.4 53.9 30.1 106 106 X E H ><5S+ 0 0 35 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.933 108.6 50.5 -64.3 -47.4 24.3 53.6 33.3 107 107 X V H 3<5S+ 0 0 50 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.694 107.0 55.4 -73.2 -16.7 23.0 56.7 35.1 108 108 X T T 3<5S- 0 0 12 -4,-0.9 78,-2.7 -3,-0.3 -1,-0.3 0.365 128.5 -95.8 -89.8 3.1 19.4 55.7 34.5 109 109 X G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 76,-0.2 -2,-0.1 0.579 80.7 132.3 97.3 12.5 20.0 52.3 36.1 110 110 X G < - 0 0 11 -5,-2.6 -1,-0.2 1,-0.2 77,-0.0 -0.090 62.5 -61.6 -83.6-173.9 20.8 50.2 33.1 111 111 X P - 0 0 15 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.223 50.9-105.9 -67.7 160.1 23.6 47.7 32.5 112 112 X E - 0 0 155 -3,-0.1 -9,-0.1 -6,-0.1 -10,-0.0 -0.812 37.3-153.4 -87.2 101.9 27.3 48.6 32.5 113 113 X V - 0 0 6 -2,-0.9 124,-0.1 -11,-0.3 -7,-0.1 -0.683 21.0-114.5 -80.9 122.2 28.1 48.5 28.8 114 114 X P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.304 32.9-157.8 -57.5 144.8 31.8 47.8 28.2 115 115 X F - 0 0 36 -13,-0.0 125,-0.0 -3,-0.0 129,-0.0 -0.991 13.8-175.6-130.4 131.6 33.7 50.7 26.6 116 116 X H - 0 0 62 -2,-0.4 3,-0.2 -21,-0.0 2,-0.1 -0.994 19.4-139.7-124.2 129.3 37.0 50.6 24.6 117 117 X P + 0 0 17 0, 0.0 -104,-0.0 0, 0.0 -26,-0.0 -0.283 61.1 82.9 -82.4 168.2 38.6 53.8 23.4 118 118 X G + 0 0 15 1,-0.3 2,-0.1 -113,-0.1 130,-0.1 0.468 41.2 149.2 121.8 5.5 40.3 54.6 20.1 119 119 X R - 0 0 4 -3,-0.2 2,-0.5 -27,-0.1 -24,-0.4 -0.468 38.2-140.6 -66.1 137.2 37.7 55.5 17.5 120 120 X E - 0 0 161 -2,-0.1 2,-0.1 -26,-0.1 -1,-0.0 -0.879 19.5-113.0-101.8 133.2 39.1 58.0 15.0 121 121 X D - 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0 0 20 -4,-0.7 4,-2.5 -3,-0.2 0, 0.0 -0.675 69.6-136.7 -85.9 132.8 7.3 38.3 14.3 215 215 X P T 4 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.776 103.2 35.5 -59.0 -31.1 8.2 34.6 15.1 216 216 X V T > S+ 0 0 69 2,-0.1 4,-0.7 3,-0.1 -5,-0.1 0.835 120.0 46.7 -88.8 -38.2 11.8 35.4 16.1 217 217 X F H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.888 103.4 62.0 -73.7 -37.1 11.2 38.8 17.8 218 218 X R H X S+ 0 0 93 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.918 99.1 52.2 -61.6 -46.9 8.2 37.8 19.9 219 219 X P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.853 111.4 50.9 -56.4 -31.1 9.9 35.1 22.0 220 220 X L H X S+ 0 0 22 -4,-0.7 4,-2.7 -3,-0.5 5,-0.2 0.923 108.3 50.0 -71.9 -42.7 12.6 37.7 22.8 221 221 X V H X S+ 0 0 0 -4,-2.3 4,-2.3 -10,-0.2 5,-0.2 0.937 112.9 47.9 -56.3 -46.9 10.0 40.3 23.8 222 222 X D H X S+ 0 0 69 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.907 111.1 50.7 -61.4 -45.5 8.4 37.7 26.1 223 223 X K H X S+ 0 0 82 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.923 112.5 45.8 -57.6 -47.3 11.8 36.7 27.6 224 224 X Y H < S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.2 -1,-0.2 0.852 110.2 53.1 -70.6 -34.5 12.7 40.3 28.3 225 225 X A H < S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 0.850 118.1 38.2 -65.3 -32.5 9.3 41.1 29.9 226 226 X A H < S+ 0 0 89 -4,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.684 125.1 35.8 -89.2 -22.3 9.7 38.1 32.2 227 227 X D X + 0 0 72 -4,-1.8 4,-1.8 -5,-0.2 3,-0.3 -0.809 53.9 179.9-145.6 90.8 13.4 38.4 32.9 228 228 X E H > S+ 0 0 69 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.836 86.8 59.5 -62.9 -33.3 15.0 41.8 33.2 229 229 X D H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 105.5 48.7 -62.0 -40.7 18.5 40.3 33.9 230 230 X A H > S+ 0 0 17 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.897 111.6 49.9 -65.4 -41.6 18.3 38.6 30.5 231 231 X F H X S+ 0 0 0 -4,-1.8 4,-3.1 -7,-0.2 5,-0.2 0.946 110.0 50.5 -60.1 -48.1 17.3 41.9 28.9 232 232 X F H X S+ 0 0 37 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.899 111.4 48.4 -59.5 -41.3 20.2 43.7 30.6 233 233 X A H X S+ 0 0 59 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.952 116.2 41.3 -63.5 -48.6 22.7 41.1 29.4 234 234 X D H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.856 114.2 53.6 -71.0 -35.3 21.5 41.1 25.8 235 235 X Y H X S+ 0 0 4 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.938 108.6 48.6 -61.6 -47.8 21.2 44.9 25.8 236 236 X A H X S+ 0 0 15 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.910 112.7 49.1 -61.7 -40.9 24.7 45.4 27.0 237 237 X E H X S+ 0 0 96 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.953 115.0 43.8 -60.6 -47.2 26.0 43.0 24.3 238 238 X A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.910 113.3 49.3 -68.8 -43.1 24.0 44.7 21.6 239 239 X H H X S+ 0 0 2 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.934 110.8 51.2 -65.9 -42.3 24.9 48.3 22.6 240 240 X Q H X S+ 0 0 41 -4,-2.2 4,-0.8 -5,-0.3 -2,-0.2 0.967 112.8 46.0 -56.7 -50.4 28.6 47.4 22.8 241 241 X K H >< S+ 0 0 68 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.932 113.3 49.1 -57.1 -47.4 28.4 45.9 19.3 242 242 X L H >< S+ 0 0 6 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.924 109.6 51.8 -56.7 -47.4 26.5 48.9 18.0 243 243 X S H 3< S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.596 114.2 44.5 -66.9 -14.2 29.0 51.3 19.5 244 244 X E T X< S+ 0 0 4 -3,-1.1 3,-2.5 -4,-0.8 -1,-0.3 0.217 75.5 142.9-115.8 10.7 31.9 49.5 17.9 245 245 X L T < S+ 0 0 15 -3,-1.4 3,-0.1 1,-0.3 -95,-0.1 -0.299 83.4 1.9 -57.6 129.7 30.5 49.0 14.3 246 246 X G T 3 S+ 0 0 27 1,-0.2 2,-0.4 -191,-0.1 -1,-0.3 0.491 111.8 114.8 73.6 0.5 33.3 49.3 11.9 247 247 X F S < S- 0 0 10 -3,-2.5 -1,-0.2 1,-0.2 -128,-0.1 -0.882 78.0 -2.3-111.9 133.1 35.7 49.9 14.7 248 248 X A 0 0 19 -2,-0.4 -244,-2.4 -245,-0.1 -1,-0.2 0.814 360.0 360.0 62.8 33.2 38.6 47.6 15.8 249 249 X D 0 0 132 -3,-0.3 -1,-0.1 -246,-0.2 -2,-0.1 0.543 360.0 360.0 -89.1 360.0 37.9 45.0 13.1