==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-13 4JMS . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.BARELIER,M.FISCHER . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.6 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 . 41 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.6 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 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 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 0 132 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.0 11.5 90.5 75.0 2 5 A V - 0 0 105 2,-0.0 2,-0.6 267,-0.0 267,-0.1 -0.942 360.0-162.8-110.4 133.5 9.4 87.7 73.3 3 6 A H E -a 269 0A 28 265,-0.5 267,-3.1 -2,-0.5 2,-0.5 -0.929 10.1-160.0-118.0 104.2 8.3 88.3 69.7 4 7 A V E -a 270 0A 70 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.765 18.9-120.9 -95.0 129.2 5.5 86.0 68.8 5 8 A A - 0 0 10 265,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.373 29.1-170.7 -65.7 137.7 4.8 85.3 65.1 6 9 A S - 0 0 75 120,-2.6 120,-0.2 -2,-0.1 3,-0.1 -0.965 22.3-125.6-138.5 112.8 1.2 86.2 64.2 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.1 5,-0.0 -0.334 36.0-100.2 -62.4 131.7 -0.1 85.2 60.7 8 11 A E > - 0 0 20 1,-0.2 3,-2.4 2,-0.1 -1,-0.1 -0.321 65.7 -76.8 -54.9 130.7 -1.5 88.1 58.8 9 12 A K T 3 S- 0 0 199 1,-0.3 -1,-0.2 89,-0.1 89,-0.0 -0.062 106.4 -13.8 -54.3 124.5 -5.2 87.7 59.3 10 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.437 98.6 139.0 72.7 4.8 -6.7 85.0 57.2 11 14 A R < + 0 0 83 -3,-2.4 2,-0.2 3,-0.1 -1,-0.2 -0.526 24.3 173.5 -87.1 149.0 -3.6 84.6 54.9 12 15 A S >> - 0 0 59 -2,-0.2 4,-1.5 -5,-0.0 3,-1.0 -0.729 50.7 -67.6-140.4-179.2 -2.2 81.3 53.7 13 16 A Y H 3> S+ 0 0 44 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.857 126.1 56.9 -42.6 -47.7 0.5 80.0 51.3 14 17 A E H 3> S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 103.7 54.2 -62.8 -34.4 -1.3 81.1 48.2 15 18 A D H <> S+ 0 0 28 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.938 112.6 42.9 -58.5 -48.8 -1.3 84.8 49.5 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.839 108.6 57.8 -72.3 -31.5 2.5 84.7 50.0 17 20 A Q H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.859 105.5 52.9 -62.1 -40.4 3.1 82.9 46.7 18 21 A K H X S+ 0 0 123 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.907 110.2 46.0 -60.7 -40.5 1.4 85.9 45.1 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.935 112.3 51.0 -64.8 -45.8 3.7 88.3 46.8 20 23 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.926 110.7 50.7 -53.6 -49.3 6.7 86.1 45.9 21 24 A N H X S+ 0 0 21 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.868 107.8 51.0 -63.2 -42.4 5.5 86.2 42.3 22 25 A A H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.933 112.8 45.5 -61.6 -42.8 5.1 89.9 42.2 23 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.931 114.6 49.5 -61.6 -47.2 8.6 90.4 43.5 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.893 110.5 49.5 -60.9 -44.3 9.9 87.8 41.0 25 28 A L H X S+ 0 0 76 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.901 111.5 48.5 -63.4 -38.4 8.1 89.4 38.1 26 29 A K H X S+ 0 0 52 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.849 107.2 57.0 -69.1 -37.0 9.6 92.8 39.0 27 30 A L H < S+ 0 0 23 -4,-2.2 12,-0.2 1,-0.2 -1,-0.2 0.901 111.5 42.6 -58.2 -41.9 13.0 91.2 39.3 28 31 A R H < S+ 0 0 126 -4,-1.8 3,-0.3 1,-0.1 -2,-0.2 0.917 118.2 46.1 -70.8 -38.1 12.7 90.1 35.7 29 32 A E H < S+ 0 0 144 -4,-2.3 2,-1.8 1,-0.2 3,-0.2 0.927 106.7 53.9 -72.9 -50.7 11.2 93.4 34.6 30 33 A D >< + 0 0 47 -4,-3.0 3,-0.6 1,-0.2 9,-0.4 -0.434 68.6 144.1 -86.7 63.4 13.6 95.9 36.2 31 34 A D T 3 + 0 0 79 -2,-1.8 -1,-0.2 -3,-0.3 -2,-0.1 0.537 51.1 71.0 -87.7 -6.7 16.6 94.3 34.7 32 35 A E T 3> + 0 0 130 -3,-0.2 4,-2.0 4,-0.1 3,-0.4 0.725 66.6 122.8 -81.9 -22.9 18.7 97.4 34.0 33 36 A Y H <>>S+ 0 0 43 -3,-0.6 5,-2.8 1,-0.2 4,-0.9 -0.049 79.9 2.0 -50.2 134.3 19.5 98.2 37.6 34 37 A D H >45S- 0 0 46 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.949 138.8 -44.5 57.0 55.2 23.2 98.4 38.6 35 38 A N H 345S- 0 0 140 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.896 114.6 -49.9 57.3 44.4 24.6 97.8 35.1 36 39 A Y H 3<5S+ 0 0 134 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.588 109.8 117.6 68.7 17.4 22.2 94.9 34.4 37 40 A I T <<5 - 0 0 4 -3,-1.2 3,-0.3 -4,-0.9 -3,-0.2 0.893 64.5-153.2 -66.9 -38.9 22.9 93.1 37.7 38 41 A G < - 0 0 7 -5,-2.8 4,-0.4 1,-0.2 -7,-0.1 -0.209 32.4 -65.5 77.4 179.2 19.2 93.6 38.5 39 42 A Y S > S+ 0 0 38 -9,-0.4 4,-2.1 -12,-0.2 5,-0.2 0.418 102.9 98.0 -88.1 0.9 17.8 93.9 42.0 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 3,-0.2 0.963 85.6 43.7 -57.1 -53.2 18.5 90.3 43.2 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.918 113.1 50.0 -60.7 -45.8 21.7 90.9 45.1 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.869 109.2 53.4 -66.7 -28.3 20.6 94.1 46.8 43 46 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -3,-0.2 -1,-0.2 0.870 108.4 49.3 -70.6 -35.4 17.4 92.3 48.0 44 47 A V H X S+ 0 0 7 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.936 112.4 48.2 -64.8 -46.8 19.5 89.5 49.5 45 48 A R H X S+ 0 0 92 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.907 109.5 53.4 -61.7 -39.7 21.6 92.1 51.3 46 49 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.953 107.9 49.6 -58.1 -49.1 18.6 93.9 52.5 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.864 113.6 47.0 -58.6 -42.2 17.1 90.8 54.0 48 51 A W H X S+ 0 0 39 -4,-1.9 4,-2.9 2,-0.2 3,-0.5 0.937 111.6 50.2 -64.1 -46.0 20.4 90.1 55.7 49 52 A H H < S+ 0 0 4 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.824 109.6 50.1 -65.2 -33.2 20.8 93.6 57.0 50 53 A I H < S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.767 119.9 37.6 -74.0 -24.0 17.3 93.7 58.5 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.6 -3,-0.5 -2,-0.2 0.766 103.8 70.4 -90.0 -32.0 18.0 90.4 60.3 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -2,-0.1 1,-0.3 -3,-0.1 0.464 79.7 74.8 -79.7 -2.4 21.6 91.0 61.2 53 56 A T T 3 S+ 0 0 3 -4,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 0.445 73.1 122.5 -75.8 -6.5 20.8 93.7 63.8 54 57 A W < - 0 0 24 -3,-1.6 2,-0.4 7,-0.2 7,-0.2 -0.254 47.4-161.0 -63.2 145.1 19.7 90.8 66.1 55 58 A D B >>> -B 60 0B 28 5,-2.0 4,-2.1 1,-0.1 3,-0.9 -0.956 9.0-158.1-127.2 112.0 21.3 90.3 69.5 56 59 A K T 345S+ 0 0 87 101,-2.2 -1,-0.1 -2,-0.4 102,-0.1 0.718 87.5 67.3 -57.5 -22.0 20.8 86.9 71.1 57 60 A H T 345S+ 0 0 139 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.842 124.3 4.1 -71.4 -37.5 21.5 88.4 74.5 58 61 A D T <45S- 0 0 79 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.317 95.6-116.7-130.9 3.5 18.4 90.5 74.8 59 62 A N T <5 + 0 0 26 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.743 63.2 147.5 58.3 29.9 16.4 89.7 71.6 60 63 A T B < +B 55 0B 36 -5,-0.6 -5,-2.0 -7,-0.0 -1,-0.2 -0.494 49.7 12.3 -84.6 162.7 16.7 93.2 70.3 61 64 A G S S+ 0 0 12 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.260 73.4 123.8 67.3-159.6 16.9 93.9 66.6 62 65 A G S S- 0 0 4 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.137 76.2 -71.0 90.2 169.8 16.2 91.1 64.1 63 66 A S S > S+ 0 0 2 204,-0.5 3,-1.3 201,-0.3 -1,-0.2 0.682 106.4 86.6 -71.9 -23.7 13.7 90.9 61.3 64 67 A Y T 3 S+ 0 0 21 203,-0.4 38,-0.4 1,-0.3 -1,-0.2 0.859 88.2 45.0 -52.3 -48.8 10.6 90.7 63.3 65 68 A G T 3 S- 0 0 4 -3,-0.4 65,-2.1 -4,-0.2 -1,-0.3 0.579 91.2-135.0 -79.3 -9.1 9.8 94.3 63.8 66 69 A G X + 0 0 2 -3,-1.3 3,-1.5 -4,-0.2 -2,-0.1 0.815 47.3 157.1 59.9 32.4 10.4 95.6 60.3 67 70 A T G > + 0 0 6 -5,-0.4 3,-2.4 1,-0.3 6,-0.4 0.633 48.1 85.5 -74.2 -9.4 12.3 98.5 61.8 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.783 77.6 72.1 -59.0 -21.2 14.3 99.3 58.7 69 72 A R G < S+ 0 0 75 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.685 83.9 85.2 -68.3 -17.2 11.4 101.4 57.7 70 73 A F S X> S- 0 0 31 -3,-2.4 4,-2.9 1,-0.1 3,-0.7 -0.681 88.1-119.8 -90.4 146.1 12.3 103.9 60.4 71 74 A K H 3> S+ 0 0 140 -2,-0.3 4,-2.6 1,-0.2 -1,-0.1 0.796 106.7 60.8 -57.1 -36.9 14.9 106.6 59.6 72 75 A K H 34 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.952 118.4 30.7 -57.0 -45.1 17.5 105.6 62.3 73 76 A E H X4 S+ 0 0 3 -3,-0.7 3,-1.7 -6,-0.4 -2,-0.2 0.910 116.3 56.8 -80.3 -43.2 17.9 102.2 60.7 74 77 A F H 3< S+ 0 0 50 -4,-2.9 -2,-0.2 -7,-0.3 -1,-0.2 0.883 112.8 45.0 -52.6 -39.0 17.2 103.3 57.1 75 78 A N T 3< S+ 0 0 101 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.293 77.8 132.2 -93.5 7.0 20.0 105.8 57.5 76 79 A D X - 0 0 7 -3,-1.7 3,-2.0 1,-0.2 4,-0.1 -0.425 61.9-133.3 -55.6 126.8 22.6 103.5 59.2 77 80 A P G > S+ 0 0 95 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.850 107.7 61.8 -50.7 -36.2 25.8 104.0 57.3 78 81 A S G 3 S+ 0 0 37 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.656 101.3 54.6 -60.1 -24.1 26.1 100.2 57.1 79 82 A N G X S+ 0 0 0 -3,-2.0 3,-2.4 -6,-0.2 4,-0.4 0.255 74.6 140.7 -95.5 11.0 22.8 100.2 55.1 80 83 A A T < S+ 0 0 27 -3,-1.5 101,-0.1 1,-0.3 -5,-0.1 -0.316 71.9 21.3 -60.7 130.3 24.0 102.6 52.4 81 84 A G T > S+ 0 0 7 -2,-0.1 3,-1.6 99,-0.1 4,-0.4 0.019 94.7 99.7 100.2 -23.0 22.6 101.4 49.0 82 85 A L T X> + 0 0 1 -3,-2.4 4,-2.2 1,-0.3 3,-0.8 0.733 62.6 80.5 -71.8 -17.3 19.8 99.3 50.6 83 86 A Q H 3> S+ 0 0 65 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.823 85.9 60.5 -52.6 -32.0 17.4 102.3 49.8 84 87 A N H <> S+ 0 0 66 -3,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.882 105.0 46.4 -63.3 -40.1 17.4 100.8 46.3 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.4 -2,-0.2 0.900 111.8 51.3 -62.5 -45.2 16.0 97.5 47.6 86 89 A F H X S+ 0 0 49 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.920 109.8 49.2 -63.0 -44.7 13.4 99.4 49.7 87 90 A K H < S+ 0 0 131 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.868 108.5 53.9 -60.3 -40.2 12.3 101.4 46.6 88 91 A F H < S+ 0 0 2 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.898 110.7 46.7 -57.3 -42.9 12.0 98.2 44.6 89 92 A L H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 3,-0.3 0.676 90.3 86.0 -81.5 -16.4 9.7 96.7 47.2 90 93 A E H X S+ 0 0 79 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.909 91.3 44.4 -53.3 -49.8 7.5 99.9 47.6 91 94 A P H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.826 112.3 53.9 -69.3 -25.8 5.1 99.0 44.7 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.932 109.6 47.4 -65.2 -43.5 5.0 95.4 46.0 93 96 A H H < S+ 0 0 51 -4,-2.8 6,-0.2 1,-0.2 -1,-0.2 0.877 109.4 54.7 -68.6 -33.2 4.0 96.7 49.4 94 97 A K H < S+ 0 0 175 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 111.2 44.6 -62.1 -42.3 1.4 99.0 47.7 95 98 A E H < S+ 0 0 128 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.829 126.5 31.0 -71.0 -32.7 -0.1 96.0 46.0 96 99 A F >< + 0 0 20 -4,-2.1 3,-1.6 1,-0.1 -1,-0.3 -0.641 68.6 162.6-127.2 70.0 -0.1 93.8 49.1 97 100 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.661 66.0 70.5 -73.9 -9.3 -0.5 96.2 52.0 98 101 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.639 76.2 96.7 -76.0 -18.8 -1.5 93.5 54.4 99 102 A I S < S- 0 0 4 -3,-1.6 -3,-0.0 -6,-0.2 2,-0.0 -0.529 79.9-118.5 -76.2 141.9 2.1 92.0 54.6 100 103 A S > - 0 0 12 27,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.359 21.9-114.9 -73.0 161.4 4.2 93.2 57.5 101 104 A S H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.929 115.5 49.3 -66.3 -43.5 7.4 95.0 56.7 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.3 1,-0.2 5,-0.3 0.882 110.9 49.7 -61.8 -38.6 9.6 92.3 58.2 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 113.5 47.2 -67.6 -42.1 7.8 89.6 56.2 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 113.5 45.7 -63.6 -49.2 8.2 91.7 53.0 105 108 A F H X S+ 0 0 3 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.928 117.8 43.5 -62.6 -43.3 11.9 92.4 53.5 106 109 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 3,-0.4 0.914 113.2 51.9 -67.9 -42.8 12.7 88.8 54.4 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.859 102.8 60.7 -62.2 -33.2 10.5 87.4 51.6 108 111 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.893 105.8 46.7 -57.5 -42.2 12.4 89.7 49.2 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.914 112.0 49.4 -69.5 -42.3 15.6 87.9 50.1 110 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.939 112.8 48.0 -59.3 -45.9 14.1 84.5 49.7 111 114 A T H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.920 111.4 50.3 -63.9 -45.5 12.6 85.4 46.4 112 115 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 6,-0.2 0.939 110.4 48.7 -57.9 -53.1 15.8 86.8 45.1 113 116 A V H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 80,-0.2 0.944 116.8 42.8 -53.1 -51.1 17.9 83.8 46.1 114 117 A Q H ><5S+ 0 0 4 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.906 112.4 50.5 -64.8 -43.2 15.4 81.4 44.4 115 118 A E H 3<5S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.5 59.9 -68.0 -29.5 14.9 83.5 41.3 116 119 A M T 3<5S- 0 0 13 -4,-2.1 77,-3.2 -5,-0.3 -1,-0.3 0.205 128.1-101.1 -77.9 15.9 18.7 83.7 40.9 117 120 A Q T < 5S+ 0 0 127 -3,-1.8 -3,-0.2 75,-0.2 -2,-0.2 0.686 79.0 139.2 71.0 23.9 18.6 79.8 40.7 118 121 A G < - 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0 0 7 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.882 34.4-153.6-108.9 137.1 26.0 81.4 64.1 161 164 A N > - 0 0 89 -2,-0.4 4,-2.8 -5,-0.0 5,-0.2 -0.281 39.8 -85.1 -93.2-179.2 28.8 78.9 64.1 162 165 A D H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 128.1 48.2 -57.2 -45.9 31.7 78.5 61.7 163 166 A R H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 112.9 49.2 -61.7 -42.4 29.8 76.4 59.2 164 167 A E H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 112.0 48.2 -63.4 -44.0 26.9 78.9 59.2 165 168 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.947 113.5 46.0 -62.8 -48.7 29.2 81.9 58.8 166 169 A V H X S+ 0 0 0 -4,-2.8 4,-0.5 -5,-0.2 -2,-0.2 0.913 114.5 48.0 -63.3 -43.0 31.1 80.3 55.9 167 170 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 -5,-0.2 4,-0.3 0.939 112.1 49.5 -59.0 -52.0 27.8 79.2 54.2 168 171 A L H >< S+ 0 0 19 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.905 102.4 61.5 -59.0 -38.1 26.2 82.6 54.6 169 172 A M H >< S+ 0 0 20 -4,-2.3 3,-2.4 1,-0.3 -1,-0.3 0.658 81.6 83.2 -68.0 -15.1 29.2 84.4 53.1 170 173 A G G X< S+ 0 0 1 -3,-1.4 3,-1.6 -4,-0.5 27,-0.3 0.718 72.2 76.9 -60.9 -18.1 28.7 82.6 49.9 171 174 A A G X S+ 0 0 20 -3,-2.0 3,-2.2 -4,-0.3 -1,-0.3 0.685 73.2 82.5 -59.8 -16.9 26.2 85.3 49.1 172 175 A H G < S+ 0 0 75 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.432 72.5 74.5 -73.2 2.0 29.3 87.4 48.3 173 176 A A G < S+ 0 0 14 -3,-1.6 -1,-0.3 21,-0.2 2,-0.3 0.585 86.2 88.8 -73.1 -19.0 29.4 85.8 44.9 174 177 A L S < S- 0 0 19 -3,-2.2 17,-0.2 -4,-0.1 19,-0.0 -0.617 94.4 -32.0 -87.2 145.0 26.4 88.0 44.1 175 178 A G E S-D 190 0D 4 15,-3.1 15,-0.6 -2,-0.3 2,-0.3 -0.144 81.5 -85.7 58.8-141.2 26.4 91.6 42.8 176 179 A K E - 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