==== 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 13-MAR-13 4JMB . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.BARELIER,M.FISCHER . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.5 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 . 12 4.2 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 . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 35.1 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 1 0 2 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 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 0 139 0, 0.0 2,-0.5 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 131.8 11.8 90.0 74.6 2 5 A V - 0 0 108 2,-0.0 2,-0.6 267,-0.0 267,-0.1 -0.970 360.0-168.3-116.4 126.4 9.5 87.5 73.0 3 6 A H E -a 269 0A 33 265,-0.6 267,-3.2 -2,-0.5 2,-0.5 -0.914 10.6-161.0-114.1 105.0 8.3 87.9 69.4 4 7 A V E -a 270 0A 71 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.732 21.1-120.0 -92.5 125.5 5.5 85.5 68.5 5 8 A A - 0 0 9 265,-2.8 2,-0.4 -2,-0.5 122,-0.2 -0.410 29.9-169.8 -60.9 132.9 4.8 84.8 64.9 6 9 A S - 0 0 76 120,-2.4 120,-0.2 -2,-0.1 3,-0.1 -0.967 21.6-125.8-132.2 112.2 1.3 85.8 64.0 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.340 34.5-101.5 -60.3 128.7 -0.1 84.7 60.6 8 11 A E > - 0 0 19 1,-0.2 3,-2.6 2,-0.1 -1,-0.1 -0.308 65.1 -77.5 -49.8 130.8 -1.5 87.6 58.5 9 12 A K T 3 S- 0 0 198 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.046 105.8 -13.7 -55.6 121.7 -5.2 87.2 59.0 10 13 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.455 98.5 139.5 74.8 3.7 -6.7 84.4 56.9 11 14 A R < + 0 0 82 -3,-2.6 2,-0.2 3,-0.1 -1,-0.2 -0.484 23.6 171.9 -85.6 151.2 -3.6 84.1 54.7 12 15 A S >> - 0 0 54 -2,-0.2 4,-1.6 -3,-0.1 3,-1.0 -0.777 51.3 -65.6-142.6-175.0 -2.2 80.8 53.4 13 16 A Y H 3> S+ 0 0 69 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.855 126.1 55.7 -44.2 -47.8 0.5 79.4 51.1 14 17 A E H 3> S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.858 104.2 53.6 -60.6 -38.2 -1.3 80.6 48.0 15 18 A D H <> S+ 0 0 17 -3,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.931 112.3 43.8 -59.8 -47.2 -1.3 84.2 49.2 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.854 108.4 57.4 -72.2 -31.9 2.4 84.2 49.8 17 20 A Q H X S+ 0 0 13 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.860 104.6 54.1 -63.5 -33.8 3.1 82.4 46.5 18 21 A K H X S+ 0 0 115 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.892 109.7 46.2 -65.8 -38.6 1.3 85.4 44.8 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.943 111.9 51.1 -67.6 -47.8 3.7 87.8 46.5 20 23 A Y H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.937 110.6 50.3 -48.9 -50.4 6.7 85.7 45.6 21 24 A N H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.884 108.2 51.0 -62.5 -40.0 5.4 85.7 42.0 22 25 A A H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.916 113.0 46.1 -62.9 -43.5 5.0 89.5 41.9 23 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 114.1 48.5 -60.6 -47.6 8.6 89.9 43.2 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.871 110.6 50.1 -64.0 -39.7 9.9 87.4 40.8 25 28 A L H X S+ 0 0 77 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.889 111.6 48.2 -67.3 -37.9 8.1 88.9 37.8 26 29 A K H X S+ 0 0 54 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.860 107.3 56.4 -70.4 -33.8 9.5 92.4 38.7 27 30 A L H < S+ 0 0 24 -4,-2.2 12,-0.3 1,-0.2 -1,-0.2 0.891 111.1 44.5 -62.1 -38.8 12.9 90.9 39.0 28 31 A R H < S+ 0 0 133 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.901 116.3 46.7 -70.2 -40.0 12.6 89.6 35.5 29 32 A E H < S+ 0 0 144 -4,-2.1 2,-1.8 1,-0.2 3,-0.2 0.919 104.9 56.9 -70.9 -48.2 11.2 93.0 34.2 30 33 A D >< + 0 0 45 -4,-2.9 3,-0.6 1,-0.2 9,-0.4 -0.408 66.0 144.2 -86.8 64.3 13.6 95.4 35.8 31 34 A D T 3 + 0 0 82 -2,-1.8 -1,-0.2 -3,-0.3 -2,-0.1 0.582 53.6 69.1 -83.7 -10.1 16.7 93.9 34.2 32 35 A E T 3> + 0 0 127 -3,-0.2 4,-2.1 5,-0.1 3,-0.4 0.703 67.8 122.7 -83.7 -19.8 18.7 97.1 33.6 33 36 A Y H <>>S+ 0 0 45 -3,-0.6 5,-2.6 1,-0.2 4,-1.1 -0.074 79.4 3.3 -51.6 135.4 19.5 97.9 37.3 34 37 A D H >45S- 0 0 46 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.945 139.7 -44.4 55.8 57.5 23.1 98.2 38.3 35 38 A N H 345S- 0 0 146 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.1 -49.9 54.4 44.0 24.6 97.7 34.8 36 39 A Y H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.619 108.9 117.6 71.4 16.8 22.3 94.8 34.1 37 40 A I T <<5 - 0 0 20 -4,-1.1 3,-0.3 -3,-1.1 -3,-0.2 0.865 65.9-148.4 -69.7 -36.3 22.9 92.8 37.2 38 41 A G < - 0 0 9 -5,-2.6 4,-0.4 1,-0.2 -7,-0.1 -0.240 30.6 -68.3 84.0 175.8 19.2 93.3 38.1 39 42 A Y S > S+ 0 0 42 -9,-0.4 4,-2.0 -12,-0.3 5,-0.2 0.443 102.5 98.6 -86.1 -1.8 17.8 93.6 41.6 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.946 84.6 42.9 -52.5 -57.0 18.5 90.0 42.8 41 44 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.922 112.8 51.1 -61.6 -44.2 21.7 90.6 44.7 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.862 108.7 53.0 -64.6 -32.2 20.5 93.8 46.5 43 46 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.868 108.9 49.3 -67.1 -38.8 17.3 92.0 47.6 44 47 A V H X S+ 0 0 8 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.0 48.5 -62.8 -45.2 19.4 89.2 49.1 45 48 A R H X S+ 0 0 93 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.899 109.3 53.3 -63.0 -38.7 21.6 91.8 50.9 46 49 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.945 107.6 50.2 -60.3 -48.3 18.5 93.6 52.2 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.890 113.2 47.2 -57.9 -39.9 17.1 90.4 53.7 48 51 A W H X S+ 0 0 40 -4,-2.0 4,-2.8 1,-0.2 3,-0.4 0.933 111.7 49.2 -67.5 -45.9 20.4 89.8 55.4 49 52 A H H < S+ 0 0 4 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.840 108.9 51.0 -67.0 -32.2 20.8 93.3 56.8 50 53 A I H < S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.756 119.8 38.6 -75.3 -19.8 17.3 93.5 58.2 51 54 A S H >< S+ 0 0 1 -4,-0.9 3,-1.6 -3,-0.4 -2,-0.2 0.776 103.2 69.4 -91.9 -31.8 18.1 90.2 60.0 52 55 A G T 3< S+ 0 0 0 -4,-2.8 -2,-0.1 1,-0.3 -3,-0.1 0.437 80.4 75.3 -77.5 -0.2 21.7 90.8 60.9 53 56 A T T 3 S+ 0 0 4 -4,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.502 73.0 121.9 -79.4 -6.4 20.9 93.4 63.5 54 57 A W < - 0 0 23 -3,-1.6 2,-0.4 7,-0.2 7,-0.2 -0.231 47.5-161.2 -63.7 145.5 19.7 90.6 65.8 55 58 A D B >>> -B 60 0B 29 5,-2.0 4,-1.8 1,-0.1 3,-0.9 -0.964 8.7-158.0-127.6 114.6 21.3 90.1 69.2 56 59 A K T 345S+ 0 0 88 101,-2.2 -1,-0.1 -2,-0.4 102,-0.1 0.726 86.8 68.7 -61.3 -22.4 20.9 86.7 70.8 57 60 A H T 345S+ 0 0 142 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.865 123.8 3.4 -69.8 -36.9 21.5 88.1 74.2 58 61 A D T <45S- 0 0 76 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.322 95.3-116.2-131.6 6.3 18.4 90.2 74.5 59 62 A N T <5 + 0 0 23 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.768 62.9 149.0 56.7 30.4 16.4 89.4 71.3 60 63 A T B < +B 55 0B 35 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.517 51.2 10.2 -83.9 161.1 16.7 93.0 70.1 61 64 A G S S+ 0 0 13 73,-0.5 -7,-0.2 -7,-0.2 3,-0.2 -0.262 74.0 125.4 67.1-157.0 16.9 93.7 66.3 62 65 A G S S- 0 0 5 -13,-0.2 3,-0.4 1,-0.2 5,-0.3 -0.115 76.1 -70.3 89.2 170.8 16.2 90.9 63.9 63 66 A S S > S+ 0 0 2 204,-0.5 3,-1.2 201,-0.3 -1,-0.2 0.710 106.8 86.9 -73.1 -22.5 13.8 90.6 61.0 64 67 A Y T 3 S+ 0 0 21 203,-0.4 38,-0.4 1,-0.2 64,-0.2 0.861 87.9 44.3 -49.7 -50.1 10.6 90.3 63.0 65 68 A G T 3 S- 0 0 4 -3,-0.4 65,-2.0 -4,-0.2 -1,-0.2 0.544 91.1-134.5 -82.2 -9.5 9.7 94.0 63.5 66 69 A G X + 0 0 4 -3,-1.2 3,-1.5 -4,-0.2 -2,-0.1 0.800 47.6 156.6 62.2 31.1 10.3 95.3 60.0 67 70 A T G > + 0 0 6 -5,-0.3 3,-2.3 1,-0.3 6,-0.4 0.581 48.4 86.1 -72.4 -12.0 12.2 98.2 61.5 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.757 77.3 72.3 -57.6 -22.1 14.3 99.0 58.4 69 72 A R G < S+ 0 0 74 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.667 83.8 86.9 -67.8 -15.0 11.3 101.1 57.4 70 73 A F S X> S- 0 0 33 -3,-2.3 4,-2.8 1,-0.1 3,-0.8 -0.680 87.7-119.9 -92.2 144.1 12.3 103.6 60.0 71 74 A K H 3> S+ 0 0 147 -2,-0.3 4,-2.6 1,-0.3 5,-0.1 0.801 106.8 59.5 -51.8 -42.4 14.8 106.4 59.3 72 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.925 117.9 31.2 -55.5 -45.8 17.4 105.4 62.0 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.6 -6,-0.4 -2,-0.2 0.895 116.5 56.3 -80.4 -42.3 17.8 102.0 60.4 74 77 A F H 3< S+ 0 0 47 -4,-2.8 -2,-0.2 -7,-0.3 -3,-0.2 0.864 112.1 45.9 -53.7 -36.9 17.1 103.0 56.8 75 78 A N T 3< S+ 0 0 104 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.338 78.2 133.1 -95.1 5.4 19.9 105.6 57.2 76 79 A D X - 0 0 8 -3,-1.6 3,-2.4 1,-0.2 4,-0.2 -0.379 61.1-134.2 -52.5 124.7 22.4 103.3 58.8 77 80 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.857 107.4 62.0 -51.4 -33.5 25.7 103.9 56.9 78 81 A S G 3 S+ 0 0 36 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.670 101.2 53.4 -64.7 -19.3 26.0 100.0 56.8 79 82 A N G X S+ 0 0 0 -3,-2.4 3,-2.4 -6,-0.2 4,-0.4 0.257 74.0 141.9-100.5 10.6 22.8 100.0 54.8 80 83 A A T < S+ 0 0 27 -3,-1.6 101,-0.1 1,-0.3 -5,-0.1 -0.324 72.2 22.1 -57.9 126.9 23.9 102.4 52.1 81 84 A G T > S+ 0 0 7 -2,-0.1 3,-1.4 99,-0.1 4,-0.4 0.011 94.2 98.9 104.3 -25.5 22.6 101.2 48.7 82 85 A L T X> + 0 0 1 -3,-2.4 4,-2.1 1,-0.3 3,-0.8 0.690 62.0 81.5 -70.7 -17.3 19.8 99.1 50.2 83 86 A Q H 3> S+ 0 0 56 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.826 85.4 61.5 -53.9 -31.8 17.3 101.9 49.5 84 87 A N H <> S+ 0 0 51 -3,-1.4 4,-1.8 2,-0.2 -1,-0.3 0.887 104.1 46.9 -61.6 -40.6 17.3 100.5 46.0 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.904 111.5 51.3 -66.7 -42.0 15.9 97.2 47.3 86 89 A F H X S+ 0 0 44 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.923 109.8 49.1 -60.5 -45.4 13.3 99.0 49.4 87 90 A K H < S+ 0 0 132 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.865 108.4 54.5 -64.1 -36.8 12.1 101.1 46.4 88 91 A F H < S+ 0 0 3 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.902 111.4 45.0 -59.5 -42.0 11.9 97.9 44.3 89 92 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.662 91.6 85.2 -80.5 -17.4 9.6 96.3 47.0 90 93 A E H X S+ 0 0 91 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.913 90.8 45.4 -53.2 -51.7 7.4 99.4 47.4 91 94 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.844 111.8 54.7 -64.5 -30.1 5.0 98.6 44.6 92 95 A I H > S+ 0 0 7 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.926 108.2 48.0 -63.7 -46.0 4.8 95.0 45.8 93 96 A H H < S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.871 109.3 54.3 -63.7 -35.7 3.8 96.2 49.2 94 97 A K H < S+ 0 0 178 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.883 110.2 45.9 -64.4 -39.4 1.2 98.5 47.7 95 98 A E H < S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 126.5 30.6 -71.4 -31.5 -0.3 95.6 45.8 96 99 A F >< + 0 0 21 -4,-1.9 3,-1.7 -5,-0.1 -1,-0.3 -0.603 69.7 163.7-126.2 69.3 -0.2 93.4 48.9 97 100 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.674 67.3 70.8 -67.9 -13.1 -0.7 95.8 51.8 98 101 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.664 76.2 94.2 -76.0 -19.7 -1.6 93.0 54.1 99 102 A I S < S- 0 0 4 -3,-1.7 -3,-0.1 -6,-0.2 2,-0.0 -0.537 80.5-118.1 -76.9 140.5 1.9 91.5 54.3 100 103 A S > - 0 0 13 27,-0.2 4,-2.4 -2,-0.2 5,-0.1 -0.312 20.6-116.2 -70.9 159.9 4.1 92.7 57.1 101 104 A S H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.918 115.5 49.3 -64.0 -44.8 7.3 94.6 56.4 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.899 111.8 49.4 -61.7 -41.3 9.6 91.9 57.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 -1,-0.2 0.927 113.0 47.7 -62.8 -43.1 7.8 89.2 55.9 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.937 112.8 46.5 -64.8 -47.6 8.1 91.3 52.7 105 108 A F H X S+ 0 0 3 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.921 117.1 43.4 -62.9 -43.0 11.9 92.0 53.2 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 3,-0.2 0.912 112.8 51.9 -70.4 -40.5 12.7 88.4 54.1 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.870 103.2 60.2 -63.4 -34.8 10.6 87.0 51.3 108 111 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.905 106.3 47.1 -56.6 -42.9 12.3 89.3 48.9 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 -2,-0.2 0.920 112.6 47.8 -65.4 -45.6 15.6 87.6 49.8 110 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.931 112.9 49.0 -58.8 -47.0 14.2 84.1 49.4 111 114 A T H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.933 111.2 50.1 -60.9 -45.7 12.6 85.0 46.1 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 6,-0.2 0.928 110.3 48.8 -60.4 -48.6 15.8 86.5 44.8 113 116 A V H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 80,-0.2 0.946 116.0 43.4 -56.2 -48.6 17.9 83.4 45.8 114 117 A Q H ><5S+ 0 0 5 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.916 112.6 50.3 -67.0 -42.7 15.5 81.0 44.1 115 118 A E H 3<5S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 104.6 59.7 -68.3 -26.9 14.9 83.0 41.0 116 119 A M T 3<5S- 0 0 15 -4,-2.0 77,-3.0 -5,-0.3 -1,-0.3 0.204 127.5-100.7 -83.7 18.0 18.7 83.3 40.6 117 120 A Q T < 5S+ 0 0 130 -3,-1.7 -3,-0.2 75,-0.2 -2,-0.2 0.667 79.5 137.9 74.2 21.9 18.8 79.5 40.4 118 121 A G < - 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0 0 6 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.890 35.0-153.0-109.4 136.8 26.1 81.1 63.8 161 164 A N > - 0 0 88 -2,-0.4 4,-2.6 -5,-0.0 5,-0.2 -0.300 40.2 -82.2 -95.4-176.7 29.0 78.6 63.9 162 165 A D H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 128.4 46.0 -56.9 -47.7 31.9 78.2 61.5 163 166 A R H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 113.3 49.5 -62.6 -43.0 30.0 76.2 58.9 164 167 A E H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.895 111.9 49.4 -63.4 -41.0 27.1 78.6 59.0 165 168 A V H < S+ 0 0 11 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.948 112.7 45.6 -61.6 -49.8 29.3 81.6 58.6 166 169 A V H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.912 114.8 48.8 -64.5 -41.0 31.2 80.1 55.7 167 170 A A H < 0 0 0 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.946 360.0 360.0 -61.8 -49.8 28.0 79.0 54.0 168 171 A L < 0 0 32 -4,-2.7 3,-2.1 -5,-0.2 -2,-0.2 0.898 360.0 360.0 -58.5 360.0 26.3 82.4 54.4 169 ! 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 0.0 170 173 A G > 0 0 6 0, 0.0 3,-1.8 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 -19.3 28.8 82.2 49.8 171 174 A A G > + 0 0 18 -3,-2.1 3,-2.2 1,-0.3 -3,-0.1 0.687 360.0 83.0 -61.3 -18.3 26.1 84.8 49.0 172 175 A H G 3 + 0 0 95 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.0 0.412 66.6 82.2 -69.8 5.2 29.1 86.9 48.0 173 176 A A G < S+ 0 0 14 -3,-1.8 -1,-0.3 21,-0.2 2,-0.2 0.689 86.8 80.0 -65.8 -20.4 29.0 85.1 44.7 174 177 A L S < S- 0 0 17 -3,-2.2 17,-0.2 -4,-0.1 19,-0.0 -0.608 94.3 -26.4 -95.9 147.6 26.3 87.7 43.9 175 178 A G S S- 0 0 10 15,-2.9 15,-0.4 -2,-0.2 2,-0.3 -0.111 72.6 -96.3 64.3-149.4 26.4 91.3 42.9 176 179 A K - 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