==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-05 1ZBY . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.A.BONAGURA,B.BHASKAR,H.SHIMIZU,H.LI,M.SUNDARAMOORTHY, . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 0 3 1 0 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 4 A L 0 0 131 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.6 11.6 90.9 74.9 2 5 A V - 0 0 107 269,-0.0 2,-0.6 2,-0.0 269,-0.1 -0.903 360.0-158.0-114.2 132.8 9.7 88.2 72.9 3 6 A H E -a 271 0A 28 267,-0.6 269,-3.2 -2,-0.5 2,-0.5 -0.938 12.0-159.8-112.5 107.2 8.5 88.8 69.4 4 7 A V E -a 272 0A 71 -2,-0.6 269,-0.2 267,-0.2 2,-0.1 -0.759 21.2-119.7 -94.1 126.3 5.7 86.4 68.5 5 8 A A - 0 0 10 267,-2.8 2,-0.4 -2,-0.5 122,-0.2 -0.407 29.7-168.8 -60.7 134.0 5.0 85.8 64.8 6 9 A S - 0 0 75 120,-2.4 120,-0.2 -2,-0.1 2,-0.1 -0.968 20.9-127.1-133.3 109.4 1.4 86.9 64.0 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.359 34.5-101.5 -60.9 130.3 0.1 85.9 60.6 8 11 A E > - 0 0 21 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.309 64.5 -78.2 -53.5 133.2 -1.3 88.8 58.5 9 12 A K T 3 S- 0 0 198 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.079 106.2 -11.5 -58.5 123.6 -5.0 88.4 59.0 10 13 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.433 98.5 137.7 77.9 1.6 -6.5 85.7 56.9 11 14 A R < + 0 0 82 -3,-2.5 -1,-0.2 3,-0.1 2,-0.2 -0.505 23.9 171.0 -87.4 151.8 -3.5 85.3 54.7 12 15 A S >> - 0 0 58 -2,-0.2 4,-1.6 -3,-0.1 3,-1.0 -0.755 51.8 -66.1-143.2-175.5 -2.0 82.0 53.5 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.863 125.7 56.3 -47.1 -46.3 0.6 80.6 51.1 14 17 A E H 3> S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.880 104.5 52.8 -61.1 -36.8 -1.2 81.8 48.0 15 18 A D H <> S+ 0 0 22 -3,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.947 112.3 44.4 -61.2 -45.3 -1.2 85.4 49.2 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.862 107.6 58.3 -72.3 -31.1 2.5 85.3 49.8 17 20 A Q H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.857 104.3 53.9 -62.7 -36.7 3.2 83.6 46.5 18 21 A K H X S+ 0 0 110 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.901 109.2 46.8 -63.8 -37.4 1.5 86.5 44.8 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.942 112.0 50.5 -67.9 -49.1 3.8 88.9 46.6 20 23 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.920 110.7 50.8 -46.2 -53.6 6.8 86.7 45.6 21 24 A N H X S+ 0 0 22 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.883 108.0 50.6 -61.5 -41.3 5.6 86.8 42.0 22 25 A A H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 112.8 46.6 -61.9 -42.5 5.2 90.5 42.0 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.941 114.2 48.7 -59.8 -47.1 8.8 90.9 43.3 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.888 110.5 49.6 -64.0 -39.7 10.0 88.4 40.8 25 28 A L H X S+ 0 0 79 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.888 111.3 49.5 -69.3 -36.7 8.3 90.0 37.8 26 29 A K H X S+ 0 0 54 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.878 106.4 56.5 -71.1 -32.2 9.7 93.4 38.8 27 30 A L H < S+ 0 0 23 -4,-2.3 12,-0.2 1,-0.2 -1,-0.2 0.914 110.6 45.1 -61.3 -38.8 13.1 91.9 39.0 28 31 A R H < S+ 0 0 126 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.903 116.3 45.9 -67.7 -42.2 12.7 90.7 35.5 29 32 A E H < S+ 0 0 142 -4,-2.1 2,-1.1 1,-0.2 3,-0.2 0.889 108.2 52.5 -70.8 -45.3 11.3 94.1 34.3 30 33 A D >< + 0 0 31 -4,-2.8 3,-0.8 1,-0.2 9,-0.3 -0.343 70.0 141.4 -95.1 57.2 13.8 96.5 35.9 31 34 A D T 3 + 0 0 79 -2,-1.1 -1,-0.2 -3,-0.5 7,-0.1 0.630 52.9 69.6 -76.0 -16.0 16.8 94.7 34.5 32 35 A E T 3> + 0 0 87 -3,-0.2 4,-2.0 5,-0.1 3,-0.4 0.686 68.4 123.2 -82.7 -16.5 19.0 97.7 33.6 33 36 A Y H <>>S+ 0 0 35 -3,-0.8 5,-2.9 1,-0.2 4,-0.8 -0.102 79.8 6.2 -51.9 135.6 19.7 98.6 37.3 34 37 A D H >45S- 0 0 37 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.950 140.8 -46.7 57.4 55.8 23.4 98.8 38.3 35 38 A N H 345S- 0 0 153 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.897 113.4 -50.4 51.6 47.4 24.7 98.2 34.7 36 39 A Y H 3<5S+ 0 0 156 -4,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.574 110.0 116.8 67.5 20.0 22.3 95.3 34.1 37 40 A I T <<5 - 0 0 16 -3,-1.3 3,-0.3 -4,-0.8 -3,-0.2 0.865 67.5-150.4 -68.4 -35.4 23.1 93.4 37.3 38 41 A G < - 0 0 8 -5,-2.9 4,-0.4 1,-0.2 -7,-0.1 -0.174 29.0 -67.5 81.6 176.6 19.5 94.1 38.2 39 42 A Y S > S+ 0 0 34 -9,-0.3 4,-2.1 -12,-0.2 5,-0.2 0.441 102.4 97.4 -84.8 -0.6 18.0 94.4 41.7 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.945 85.1 44.5 -55.8 -55.6 18.6 90.8 42.9 41 44 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.928 112.1 50.4 -58.5 -45.4 21.8 91.4 44.8 42 45 A V H > S+ 0 0 16 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.864 109.2 53.4 -65.7 -30.4 20.7 94.7 46.5 43 46 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.872 108.4 49.2 -68.8 -37.1 17.5 92.9 47.7 44 47 A V H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.930 112.2 48.3 -62.9 -45.5 19.6 90.1 49.2 45 48 A R H X S+ 0 0 66 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.911 109.6 52.9 -62.7 -39.5 21.8 92.7 51.0 46 49 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.931 108.6 49.7 -62.3 -45.1 18.7 94.5 52.2 47 50 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.913 114.2 46.7 -59.3 -41.0 17.3 91.3 53.7 48 51 A W H X S+ 0 0 46 -4,-2.2 4,-2.8 1,-0.2 3,-0.5 0.948 113.2 45.6 -67.6 -46.8 20.6 90.7 55.4 49 52 A H H < S+ 0 0 16 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.815 111.8 52.1 -69.1 -30.8 21.1 94.2 56.8 50 53 A T H < S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 17,-0.2 0.730 120.5 35.5 -73.6 -23.6 17.5 94.4 58.1 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.4 -3,-0.5 12,-0.3 0.737 105.3 70.4 -92.0 -31.2 18.1 91.0 59.8 52 55 A G T 3< S+ 0 0 0 -4,-2.8 -2,-0.1 1,-0.3 -3,-0.1 0.428 77.4 76.8 -80.8 -0.0 21.7 91.5 60.8 53 56 A T T 3 S+ 0 0 3 -4,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 0.457 71.4 124.1 -77.3 -8.4 21.1 94.1 63.5 54 57 A W < - 0 0 23 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.274 46.8-160.5 -60.4 143.1 19.9 91.3 65.8 55 58 A D B >>> -B 60 0B 30 5,-2.0 4,-2.1 1,-0.1 3,-1.1 -0.966 7.2-157.9-123.6 114.2 21.6 90.9 69.2 56 59 A K T 345S+ 0 0 87 101,-2.1 -1,-0.1 -2,-0.5 102,-0.1 0.753 87.1 67.4 -60.1 -25.3 21.0 87.4 70.7 57 60 A H T 345S+ 0 0 140 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.831 124.1 5.1 -72.7 -30.1 21.7 88.8 74.2 58 61 A D T <45S- 0 0 76 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.363 94.4-116.2-134.9 5.2 18.6 91.0 74.4 59 62 A N T <5 + 0 0 23 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.746 63.0 148.4 59.4 30.0 16.6 90.3 71.3 60 63 A T B < +B 55 0B 39 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.510 52.5 7.4 -86.7 161.0 17.0 93.9 70.0 61 64 A G S S+ 0 0 13 73,-0.5 3,-0.2 -7,-0.2 -7,-0.2 -0.266 76.1 123.1 65.3-156.5 17.2 94.5 66.3 62 65 A G S S- 0 0 3 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.134 76.4 -66.1 87.6 175.4 16.5 91.7 63.8 63 66 A S S > S+ 0 0 5 206,-0.5 3,-0.6 203,-0.3 -1,-0.2 0.665 106.7 85.0 -73.0 -19.3 14.0 91.3 61.0 64 67 A Y T 3 S+ 0 0 21 205,-0.4 38,-0.4 -3,-0.2 64,-0.2 0.889 90.2 41.4 -57.6 -48.3 10.8 91.3 63.1 65 68 A G T 3 S- 0 0 6 -3,-0.4 65,-1.7 -4,-0.2 -1,-0.2 0.628 89.9-135.9 -85.6 -10.7 10.0 94.9 63.4 66 69 A G X + 0 0 3 -3,-0.6 3,-1.5 -4,-0.3 -3,-0.1 0.844 43.0 160.4 64.9 35.2 10.8 96.2 60.0 67 70 A T G > + 0 0 5 -5,-0.4 3,-2.4 1,-0.3 6,-0.4 0.557 48.3 88.5 -76.8 -7.6 12.6 99.2 61.4 68 71 A Y G 3 S+ 0 0 4 1,-0.3 -1,-0.3 5,-0.2 6,-0.3 0.736 75.8 73.2 -56.9 -28.0 14.7 100.0 58.3 69 72 A R G < S+ 0 0 64 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.611 83.8 84.7 -63.3 -10.9 11.7 102.1 57.3 70 73 A F S X> S- 0 0 34 -3,-2.4 4,-2.6 1,-0.1 3,-1.0 -0.761 88.1-121.4 -97.8 144.8 12.8 104.6 60.1 71 74 A K H 3> S+ 0 0 128 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.783 106.0 62.2 -59.2 -35.4 15.4 107.3 59.3 72 75 A K H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.942 115.1 33.7 -57.2 -42.5 17.9 106.2 62.0 73 76 A E H X4 S+ 0 0 3 -3,-1.0 3,-1.7 -6,-0.4 -2,-0.2 0.901 116.3 51.9 -84.5 -39.8 18.3 102.8 60.4 74 77 A F H 3< S+ 0 0 68 -4,-2.6 -1,-0.2 -7,-0.3 -2,-0.2 0.825 112.2 49.8 -69.9 -22.3 17.9 103.7 56.7 75 78 A N T 3< S+ 0 0 96 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.330 77.8 128.3 -91.4 7.3 20.6 106.4 57.2 76 79 A D X - 0 0 8 -3,-1.7 3,-2.4 1,-0.2 4,-0.2 -0.448 65.5-133.1 -56.4 127.2 23.0 104.0 58.9 77 80 A P G > S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.846 107.4 62.9 -51.1 -32.0 26.3 104.5 57.0 78 81 A S G 3 S+ 0 0 38 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.691 101.3 52.3 -63.6 -19.9 26.5 100.7 56.9 79 82 A N G X S+ 0 0 0 -3,-2.4 3,-2.2 -6,-0.2 4,-0.4 0.224 74.5 142.3-100.7 10.6 23.3 100.7 54.8 80 83 A A T < S+ 0 0 25 -3,-1.5 -5,-0.1 1,-0.3 101,-0.1 -0.370 72.2 21.5 -58.6 128.6 24.4 103.1 52.1 81 84 A G T > S+ 0 0 4 -2,-0.1 3,-1.7 99,-0.1 4,-0.5 -0.018 93.6 100.5 101.5 -24.8 23.0 102.0 48.8 82 85 A L T X> + 0 0 0 -3,-2.2 4,-2.2 1,-0.3 3,-0.8 0.753 61.4 81.8 -69.2 -14.8 20.1 99.9 50.2 83 86 A Q H 3> S+ 0 0 85 -4,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.817 84.9 61.4 -56.0 -29.3 17.7 102.8 49.5 84 87 A N H <> S+ 0 0 65 -3,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.891 104.0 47.2 -64.3 -38.7 17.7 101.4 46.0 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.5 -2,-0.2 0.907 111.2 50.6 -66.1 -42.1 16.3 98.1 47.4 86 89 A F H X S+ 0 0 65 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.925 109.0 51.3 -62.9 -42.2 13.7 100.0 49.4 87 90 A K H < S+ 0 0 136 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.888 107.5 54.1 -63.6 -37.7 12.6 102.0 46.4 88 91 A F H X S+ 0 0 3 -4,-1.8 4,-0.5 1,-0.2 -1,-0.3 0.898 109.9 47.3 -56.5 -47.6 12.2 98.8 44.4 89 92 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.661 90.1 85.4 -75.0 -16.2 9.9 97.4 47.1 90 93 A E H X S+ 0 0 78 -4,-1.2 4,-2.2 -3,-0.5 -1,-0.2 0.911 91.6 43.7 -56.4 -49.4 7.8 100.5 47.4 91 94 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.827 112.2 55.4 -66.3 -28.9 5.4 99.6 44.5 92 95 A I H X S+ 0 0 6 -4,-0.5 4,-2.0 -3,-0.2 -2,-0.2 0.943 109.4 46.2 -61.9 -48.8 5.2 96.0 45.8 93 96 A H H < S+ 0 0 50 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.869 109.5 55.6 -63.3 -34.8 4.1 97.3 49.2 94 97 A K H < S+ 0 0 182 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.890 111.5 43.0 -64.2 -39.4 1.6 99.6 47.6 95 98 A E H < S+ 0 0 130 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 126.7 32.1 -73.2 -33.1 0.0 96.8 45.8 96 99 A F >< + 0 0 21 -4,-2.0 3,-1.7 -5,-0.1 -1,-0.3 -0.589 69.6 162.4-121.8 66.9 0.1 94.5 48.8 97 100 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.645 65.9 70.4 -70.2 -12.2 -0.3 96.9 51.7 98 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.596 76.1 94.6 -76.5 -18.7 -1.3 94.1 54.1 99 102 A I S < S- 0 0 4 -3,-1.7 2,-0.1 -6,-0.2 -3,-0.0 -0.557 81.0-117.2 -78.8 142.2 2.2 92.6 54.3 100 103 A S > - 0 0 13 -2,-0.2 4,-2.4 27,-0.2 5,-0.2 -0.370 21.1-115.7 -69.1 159.3 4.4 93.7 57.2 101 104 A S H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.916 115.7 48.8 -64.0 -43.5 7.6 95.6 56.4 102 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.900 110.2 51.1 -64.7 -38.9 9.8 92.8 57.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 5,-0.2 0.928 113.0 47.0 -62.2 -40.0 8.0 90.2 56.0 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 111.7 48.0 -68.0 -44.9 8.5 92.2 52.8 105 108 A F H X S+ 0 0 5 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.925 117.1 42.6 -61.1 -44.9 12.2 92.9 53.4 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.2 0.926 113.8 51.3 -67.8 -43.3 12.9 89.2 54.2 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.869 102.8 60.4 -65.2 -33.9 10.7 87.9 51.4 108 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.919 106.5 47.0 -57.7 -40.9 12.5 90.2 48.9 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 -2,-0.2 0.913 112.7 48.1 -66.7 -43.9 15.8 88.4 49.8 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.927 112.8 49.0 -59.3 -47.6 14.3 85.0 49.4 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.936 111.4 49.5 -59.9 -46.9 12.7 85.9 46.1 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 6,-0.2 0.933 110.8 48.7 -60.1 -49.1 16.0 87.4 44.8 113 116 A V H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 82,-0.2 0.950 116.0 43.5 -57.8 -47.0 18.0 84.3 45.7 114 117 A Q H ><5S+ 0 0 5 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.916 112.5 50.5 -66.5 -42.0 15.5 81.9 44.2 115 118 A E H 3<5S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 104.8 59.8 -68.3 -27.0 15.0 83.9 41.0 116 119 A M T 3<5S- 0 0 14 -4,-2.0 79,-3.0 -5,-0.3 -1,-0.3 0.191 128.2 -99.2 -85.0 20.2 18.8 84.1 40.6 117 120 A Q T < 5S+ 0 0 126 -3,-1.7 -3,-0.2 77,-0.2 -2,-0.2 0.665 79.9 139.0 74.3 21.6 18.8 80.3 40.4 118 121 A G < - 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