==== 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/PEPTIDE 16-OCT-08 3EXB . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.-M.A.PUTNAM,Y.-T.LEE,D.B.GOODIN . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.0 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 . 14 4.8 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 . 1 0.3 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 . 10 3.4 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 . 103 35.3 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 . 3 1 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 . 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 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 0 126 0, 0.0 2,-0.5 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 149.0 12.3 90.7 74.1 2 5 A V - 0 0 112 2,-0.0 2,-0.6 267,-0.0 267,-0.1 -0.978 360.0-170.8-113.3 126.3 9.9 88.1 72.7 3 6 A H E -a 269 0A 31 265,-0.6 267,-3.0 -2,-0.5 2,-0.5 -0.938 8.6-161.9-114.6 105.6 8.7 88.5 69.2 4 7 A V E -a 270 0A 70 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.772 22.7-119.4 -93.7 129.2 5.9 86.1 68.4 5 8 A A - 0 0 10 265,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.456 29.9-168.1 -65.9 136.9 5.2 85.5 64.7 6 9 A S - 0 0 75 120,-2.6 120,-0.2 -2,-0.1 3,-0.1 -0.969 21.3-125.9-131.7 111.2 1.6 86.5 63.9 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.335 34.8-102.2 -61.2 129.1 0.2 85.4 60.5 8 11 A E > - 0 0 20 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.302 65.1 -76.0 -51.1 134.2 -1.2 88.4 58.5 9 12 A K T 3 S- 0 0 195 1,-0.3 -1,-0.2 89,-0.1 89,-0.0 -0.053 106.7 -13.5 -56.2 122.9 -4.9 87.9 59.0 10 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.423 98.2 140.0 75.7 1.7 -6.4 85.1 56.9 11 14 A R < + 0 0 82 -3,-2.5 2,-0.2 3,-0.1 -1,-0.2 -0.417 23.2 171.8 -84.6 152.4 -3.3 84.8 54.6 12 15 A S >> - 0 0 50 -2,-0.1 4,-1.5 -5,-0.0 3,-0.8 -0.788 51.4 -66.4-143.6-175.4 -1.9 81.5 53.4 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.852 125.7 56.4 -46.5 -46.9 0.6 80.0 51.0 14 17 A E H 3> S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.884 104.1 53.8 -61.9 -36.6 -1.1 81.3 47.9 15 18 A D H <> S+ 0 0 22 -3,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.927 112.3 43.2 -60.1 -45.7 -1.1 84.9 49.1 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.845 108.6 57.7 -72.7 -32.2 2.7 84.8 49.7 17 20 A Q H X S+ 0 0 13 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.890 104.9 53.6 -63.6 -36.2 3.3 83.0 46.4 18 21 A K H X S+ 0 0 123 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.903 109.9 46.1 -60.8 -42.1 1.5 86.0 44.7 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.939 112.0 51.6 -65.4 -44.8 3.9 88.4 46.5 20 23 A Y H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.932 110.8 49.2 -54.5 -48.3 6.9 86.2 45.5 21 24 A N H X S+ 0 0 22 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.889 108.8 51.1 -62.8 -40.8 5.7 86.2 41.9 22 25 A A H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.933 113.6 45.3 -63.0 -44.0 5.2 90.0 41.8 23 26 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.943 115.0 48.3 -61.8 -45.9 8.8 90.4 43.1 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.866 110.6 49.8 -64.2 -40.5 10.1 87.8 40.7 25 28 A L H X S+ 0 0 77 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.878 111.7 48.9 -67.9 -34.3 8.3 89.4 37.7 26 29 A K H X S+ 0 0 55 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.844 107.2 56.1 -73.0 -32.7 9.7 92.8 38.6 27 30 A L H < S+ 0 0 23 -4,-2.1 12,-0.3 1,-0.2 -2,-0.2 0.895 110.9 44.6 -63.2 -40.2 13.2 91.3 38.9 28 31 A R H < S+ 0 0 129 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.903 116.0 47.5 -66.9 -41.2 12.8 90.0 35.4 29 32 A E H < S+ 0 0 141 -4,-2.0 2,-1.6 1,-0.2 3,-0.3 0.912 104.9 56.4 -70.4 -44.8 11.4 93.4 34.2 30 33 A D >< + 0 0 42 -4,-2.8 3,-0.7 1,-0.2 9,-0.4 -0.381 66.6 143.5 -90.4 60.5 14.0 95.7 35.7 31 34 A D T 3 + 0 0 79 -2,-1.6 -1,-0.2 -3,-0.4 7,-0.1 0.619 55.5 66.6 -78.7 -17.4 17.0 94.1 34.1 32 35 A E T 3> + 0 0 128 -3,-0.3 4,-2.1 4,-0.1 3,-0.4 0.710 68.7 125.1 -80.6 -19.8 19.1 97.2 33.4 33 36 A Y H <>>S+ 0 0 47 -3,-0.7 5,-2.6 1,-0.2 4,-1.2 -0.040 79.7 0.3 -50.3 135.8 19.8 98.1 37.1 34 37 A D H >45S- 0 0 40 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.935 139.9 -42.4 51.7 58.9 23.5 98.5 38.1 35 38 A N H 345S- 0 0 131 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 114.8 -50.8 56.5 42.8 24.9 97.8 34.6 36 39 A Y H 3<5S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.1 -3,-0.2 0.618 109.1 116.5 72.1 17.9 22.6 94.9 33.9 37 40 A I T <<5 - 0 0 15 -4,-1.2 3,-0.3 -3,-0.9 -3,-0.2 0.835 65.8-151.2 -73.3 -33.5 23.2 93.0 37.1 38 41 A G < - 0 0 8 -5,-2.6 4,-0.4 1,-0.2 -7,-0.1 -0.177 31.9 -66.9 78.7 177.4 19.5 93.6 38.0 39 42 A Y S > S+ 0 0 43 -9,-0.4 4,-2.2 -12,-0.3 5,-0.2 0.427 103.0 98.1 -85.3 0.0 18.1 93.9 41.5 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.961 85.1 42.3 -57.1 -55.3 18.7 90.3 42.7 41 44 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.914 112.6 52.4 -65.0 -39.4 21.9 90.9 44.6 42 45 A V H > S+ 0 0 17 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.893 108.1 53.2 -65.3 -32.7 20.8 94.1 46.3 43 46 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.874 109.2 49.1 -64.6 -35.9 17.6 92.3 47.5 44 47 A V H X S+ 0 0 7 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.935 111.9 48.2 -67.2 -44.9 19.8 89.6 49.0 45 48 A R H X S+ 0 0 66 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.910 110.7 51.9 -61.7 -42.6 22.0 92.2 50.7 46 49 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.938 108.3 50.3 -58.7 -47.8 18.9 94.0 52.0 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.881 113.9 47.1 -61.9 -34.5 17.4 90.8 53.5 48 51 A W H X S+ 0 0 44 -4,-2.0 4,-3.0 2,-0.2 3,-0.3 0.932 112.0 48.0 -70.5 -45.0 20.8 90.2 55.2 49 52 A H H < S+ 0 0 17 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.824 109.6 50.9 -69.7 -31.4 21.2 93.7 56.6 50 53 A I H < S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.2 0.776 120.6 38.6 -75.1 -20.7 17.7 93.9 58.0 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.7 -5,-0.3 -2,-0.2 0.804 103.3 68.5 -89.6 -33.6 18.4 90.6 59.7 52 55 A G T 3< S+ 0 0 0 -4,-3.0 -1,-0.1 1,-0.3 -3,-0.1 0.390 81.6 75.3 -76.0 1.4 22.1 91.1 60.7 53 56 A T T 3 S+ 0 0 3 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.485 72.2 120.8 -84.6 -5.3 21.3 93.8 63.2 54 57 A W < - 0 0 23 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.249 48.1-160.8 -63.8 144.7 20.1 91.0 65.6 55 58 A D B >>> -B 60 0B 29 5,-1.9 4,-2.1 1,-0.1 3,-1.1 -0.954 7.6-158.0-125.5 112.1 21.7 90.5 68.9 56 59 A K T 345S+ 0 0 87 101,-2.2 -1,-0.1 -2,-0.4 102,-0.1 0.737 86.3 68.9 -59.2 -23.3 21.1 87.1 70.5 57 60 A H T 345S+ 0 0 140 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.830 124.1 3.2 -70.0 -34.0 21.9 88.5 73.9 58 61 A D T <45S- 0 0 78 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.321 95.3-116.9-133.2 5.5 18.8 90.7 74.3 59 62 A N T <5 + 0 0 22 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.809 62.8 147.3 56.3 33.0 16.9 89.9 71.0 60 63 A T B < +B 55 0B 35 -5,-0.7 -5,-1.9 -7,-0.1 -1,-0.2 -0.552 52.0 13.9 -86.5 164.0 17.1 93.5 69.8 61 64 A G S S+ 0 0 12 73,-0.5 -7,-0.2 -7,-0.2 4,-0.2 -0.284 74.7 123.8 67.0-158.2 17.4 94.1 66.1 62 65 A G S S- 0 0 5 -13,-0.2 3,-0.4 1,-0.2 5,-0.4 -0.096 75.9 -72.8 87.2 168.7 16.6 91.3 63.6 63 66 A S S > S+ 0 0 2 204,-0.4 3,-1.3 201,-0.3 -1,-0.2 0.683 105.5 87.5 -73.9 -21.4 14.1 91.1 60.7 64 67 A Y T 3 S+ 0 0 21 203,-0.4 38,-0.4 1,-0.2 64,-0.3 0.876 88.0 43.6 -51.0 -52.8 10.9 90.8 62.8 65 68 A G T 3 S- 0 0 5 -3,-0.4 65,-2.1 -4,-0.2 -1,-0.2 0.505 92.5-133.2 -81.7 -3.6 10.1 94.5 63.3 66 69 A G X + 0 0 2 -3,-1.3 3,-1.6 63,-0.2 -2,-0.1 0.812 48.2 156.8 62.1 31.4 10.7 95.8 59.8 67 70 A T G > + 0 0 6 -5,-0.4 3,-2.4 1,-0.3 6,-0.4 0.618 48.5 85.9 -76.5 -10.4 12.7 98.7 61.3 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.781 77.5 72.5 -55.1 -23.0 14.7 99.4 58.2 69 72 A R G < S+ 0 0 74 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.660 83.1 85.7 -69.1 -12.3 11.8 101.5 57.1 70 73 A F S X> S- 0 0 32 -3,-2.4 4,-2.6 1,-0.1 3,-0.9 -0.710 88.0-119.1 -96.1 145.1 12.8 104.1 59.8 71 74 A K H 3> S+ 0 0 145 -2,-0.3 4,-2.7 1,-0.3 5,-0.1 0.805 106.9 61.0 -54.9 -38.0 15.4 106.8 59.0 72 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.926 117.2 30.5 -56.7 -45.5 17.9 105.8 61.6 73 76 A E H X4 S+ 0 0 2 -3,-0.9 3,-1.3 -6,-0.4 -2,-0.2 0.880 117.1 56.0 -81.1 -40.8 18.4 102.4 60.1 74 77 A F H 3< S+ 0 0 47 -4,-2.6 -2,-0.2 -7,-0.3 -3,-0.2 0.875 112.1 46.3 -56.9 -36.2 17.7 103.4 56.5 75 78 A N T 3< S+ 0 0 103 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.380 78.7 130.9 -93.3 2.3 20.5 106.0 56.9 76 79 A D X - 0 0 8 -3,-1.3 3,-2.2 1,-0.2 4,-0.1 -0.359 62.5-134.0 -49.0 127.1 23.0 103.6 58.6 77 80 A P G > S+ 0 0 98 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.839 107.1 62.4 -54.1 -32.6 26.2 104.1 56.6 78 81 A S G 3 S+ 0 0 38 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.686 101.5 53.5 -64.5 -18.8 26.5 100.3 56.5 79 82 A N G X S+ 0 0 0 -3,-2.2 3,-2.2 -6,-0.2 4,-0.4 0.220 74.2 140.4-100.6 10.9 23.3 100.3 54.5 80 83 A A T < S+ 0 0 24 -3,-1.6 101,-0.1 101,-0.3 -5,-0.1 -0.377 72.5 23.1 -62.8 129.6 24.4 102.7 51.8 81 84 A G T > S+ 0 0 5 -2,-0.1 3,-1.5 99,-0.1 4,-0.4 -0.020 94.9 98.7 104.6 -29.5 23.0 101.5 48.5 82 85 A L T X> + 0 0 0 -3,-2.2 4,-2.0 1,-0.3 3,-0.9 0.689 61.7 80.7 -70.1 -16.3 20.2 99.5 50.0 83 86 A Q H 3> S+ 0 0 54 -4,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.824 85.9 61.0 -56.0 -32.6 17.8 102.3 49.3 84 87 A N H <> S+ 0 0 47 -3,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.880 104.1 47.6 -60.7 -38.6 17.6 100.9 45.8 85 88 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.4 -2,-0.2 0.897 111.7 50.6 -69.6 -39.1 16.3 97.6 47.1 86 89 A F H X S+ 0 0 43 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.912 110.0 49.1 -66.3 -42.0 13.7 99.4 49.2 87 90 A K H < S+ 0 0 127 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.888 108.8 54.2 -64.9 -38.5 12.6 101.5 46.2 88 91 A F H < S+ 0 0 3 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.909 111.5 44.8 -58.0 -42.4 12.3 98.3 44.2 89 92 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.666 92.0 85.3 -81.9 -14.4 10.0 96.8 46.8 90 93 A E H X S+ 0 0 84 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.911 90.4 45.5 -55.8 -50.8 7.8 99.9 47.3 91 94 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.831 111.8 54.4 -67.5 -25.4 5.4 99.2 44.5 92 95 A I H > S+ 0 0 7 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.921 107.7 49.4 -67.6 -42.8 5.2 95.6 45.7 93 96 A H H < S+ 0 0 46 -4,-2.6 6,-0.2 1,-0.2 -1,-0.2 0.897 109.9 52.1 -62.1 -37.3 4.2 96.8 49.2 94 97 A K H < S+ 0 0 171 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 109.9 47.6 -70.9 -33.1 1.6 99.0 47.6 95 98 A E H < S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 126.0 30.2 -71.9 -31.3 0.1 96.2 45.7 96 99 A F S >< S+ 0 0 21 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.3 -0.599 70.2 164.8-127.0 69.4 0.1 94.0 48.8 97 100 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.631 67.7 71.2 -67.5 -12.3 -0.4 96.4 51.7 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.636 76.3 94.3 -77.3 -16.6 -1.3 93.6 54.0 99 102 A I S < S- 0 0 4 -3,-1.9 2,-0.1 -6,-0.2 -3,-0.1 -0.552 79.6-119.2 -82.1 141.4 2.2 92.2 54.1 100 103 A S > - 0 0 13 27,-0.2 4,-2.4 -2,-0.2 5,-0.1 -0.371 21.4-115.5 -74.7 161.8 4.5 93.3 57.0 101 104 A S H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.925 115.3 49.0 -66.4 -44.3 7.7 95.1 56.3 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.886 111.5 50.3 -61.9 -39.8 9.9 92.4 57.7 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.7 -39,-0.2 -1,-0.2 0.930 112.7 47.1 -62.6 -43.1 8.1 89.8 55.8 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.945 113.4 46.3 -64.5 -48.5 8.4 91.8 52.6 105 108 A F H X S+ 0 0 3 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.920 117.2 43.9 -63.3 -40.8 12.2 92.5 53.0 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.3 0.937 113.0 50.8 -71.5 -42.9 13.0 88.9 53.9 107 110 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.849 103.7 60.2 -61.8 -32.8 10.8 87.5 51.2 108 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.918 106.5 47.5 -60.1 -40.4 12.6 89.8 48.7 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.924 112.9 46.8 -66.0 -48.4 15.8 88.1 49.6 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.934 113.4 49.7 -56.1 -47.6 14.4 84.6 49.3 111 114 A T H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.928 111.2 48.9 -58.8 -46.9 12.8 85.5 46.0 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 6,-0.2 0.935 110.4 49.8 -60.5 -49.5 16.1 86.9 44.6 113 116 A V H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 80,-0.2 0.947 116.1 42.6 -55.9 -45.2 18.1 83.9 45.6 114 117 A Q H ><5S+ 0 0 4 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.928 112.6 51.0 -70.7 -41.1 15.6 81.5 44.0 115 118 A E H 3<5S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 104.2 59.4 -67.4 -27.4 15.1 83.5 40.9 116 119 A M T 3<5S- 0 0 15 -4,-2.2 77,-3.1 -5,-0.2 -1,-0.3 0.214 128.4 -99.4 -84.2 16.5 18.9 83.7 40.5 117 120 A Q T < 5S+ 0 0 129 -3,-1.9 -3,-0.2 75,-0.2 -2,-0.2 0.673 79.5 141.1 77.8 20.7 18.9 79.8 40.3 118 121 A G < - 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0 0 6 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.899 35.6-151.9-114.0 136.8 26.3 81.4 63.5 161 164 A N > - 0 0 89 -2,-0.4 4,-2.5 -5,-0.0 5,-0.2 -0.251 40.2 -82.2 -95.1-175.3 29.1 78.9 63.7 162 165 A D H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 128.7 47.0 -61.1 -42.9 32.1 78.5 61.3 163 166 A R H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 112.7 49.5 -66.6 -39.7 30.1 76.5 58.7 164 167 A E H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.904 111.6 49.0 -63.9 -38.8 27.2 78.9 58.8 165 168 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.952 112.9 46.6 -66.0 -49.3 29.5 81.9 58.3 166 169 A V H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.920 114.5 48.1 -62.4 -43.8 31.4 80.3 55.4 167 170 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.3 0.946 111.7 48.9 -58.2 -50.9 28.1 79.2 53.7 168 171 A L H >< S+ 0 0 18 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.888 103.7 60.3 -58.5 -39.6 26.5 82.7 54.1 169 172 A M H >< S+ 0 0 19 -4,-2.4 3,-2.3 1,-0.3 -1,-0.3 0.689 82.6 81.8 -66.4 -16.0 29.5 84.4 52.7 170 173 A G G X< S+ 0 0 1 -3,-1.5 3,-1.8 -4,-0.6 27,-0.3 0.697 72.6 79.6 -61.4 -16.8 29.1 82.5 49.4 171 174 A A G X S+ 0 0 18 -3,-1.9 3,-2.3 1,-0.3 -1,-0.3 0.691 72.0 81.1 -59.7 -18.1 26.5 85.2 48.7 172 175 A H G < + 0 0 87 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.433 69.7 78.5 -74.5 4.0 29.5 87.3 47.7 173 176 A A G < S+ 0 0 12 -3,-1.8 17,-0.4 21,-0.2 2,-0.3 0.700 87.1 81.7 -69.0 -19.8 29.4 85.5 44.4 174 177 A L S < S- 0 0 17 -3,-2.3 17,-0.2 -4,-0.1 19,-0.0 -0.639 95.6 -27.5 -94.9 141.9 26.6 87.9 43.7 175 178 A G B S-D 190 0D 5 15,-3.0 15,-0.5 -2,-0.3 2,-0.3 -0.222 75.6 -94.5 67.6-149.5 26.7 91.6 42.5 176 179 A K - 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