==== 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 4JMV . 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) . 13053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.9 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 . 15 5.2 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.8 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 . 3 1 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 . 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 0 134 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.6 11.8 88.9 75.1 2 5 A V - 0 0 104 267,-0.0 2,-0.6 2,-0.0 267,-0.1 -0.916 360.0-168.9-114.7 128.9 9.5 86.5 73.2 3 6 A H E -a 269 0A 28 265,-0.6 267,-3.2 -2,-0.5 2,-0.5 -0.915 12.6-163.2-114.0 102.7 8.4 86.8 69.6 4 7 A V E -a 270 0A 69 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.731 22.6-119.4 -92.5 128.7 5.6 84.4 68.8 5 8 A A - 0 0 10 265,-3.1 2,-0.4 -2,-0.5 122,-0.2 -0.427 29.3-168.2 -62.9 133.7 4.9 83.8 65.1 6 9 A S - 0 0 74 120,-2.7 120,-0.2 -2,-0.1 2,-0.1 -0.969 20.7-127.3-131.9 112.2 1.3 84.7 64.2 7 10 A V - 0 0 53 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.381 35.5-100.5 -61.9 129.8 -0.0 83.6 60.8 8 11 A E > - 0 0 20 1,-0.2 3,-2.7 -2,-0.1 -1,-0.1 -0.273 64.7 -77.5 -52.6 130.6 -1.4 86.5 58.8 9 12 A K T 3 S- 0 0 197 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.077 106.5 -12.6 -53.5 123.7 -5.2 86.1 59.3 10 13 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.447 98.5 140.6 74.4 1.3 -6.7 83.3 57.2 11 14 A R < + 0 0 85 -3,-2.7 -1,-0.2 3,-0.1 2,-0.2 -0.494 23.0 172.4 -84.2 151.5 -3.6 82.9 55.0 12 15 A S >> - 0 0 53 -2,-0.2 4,-1.6 -3,-0.1 3,-0.9 -0.751 51.2 -68.9-141.4-176.8 -2.2 79.7 53.7 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.851 125.3 57.9 -47.5 -47.5 0.4 78.3 51.4 14 17 A E H 3> S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.870 103.9 52.9 -56.5 -41.3 -1.4 79.5 48.3 15 18 A D H <> S+ 0 0 15 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.933 112.2 44.2 -57.9 -46.7 -1.3 83.1 49.5 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.838 108.8 56.0 -72.4 -32.4 2.4 83.1 50.0 17 20 A Q H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.867 105.7 54.4 -64.6 -35.4 3.1 81.3 46.7 18 21 A K H X S+ 0 0 116 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.902 109.5 45.5 -63.0 -40.7 1.2 84.2 45.1 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.934 112.5 51.4 -65.8 -46.9 3.6 86.7 46.8 20 23 A Y H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.922 109.8 50.5 -50.0 -49.8 6.6 84.6 45.8 21 24 A N H X S+ 0 0 22 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.874 108.2 51.4 -62.2 -40.3 5.3 84.6 42.2 22 25 A A H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.915 113.6 45.3 -63.5 -44.1 4.9 88.4 42.2 23 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 114.9 47.2 -58.8 -49.1 8.5 88.8 43.5 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.874 111.4 50.7 -66.6 -39.2 9.8 86.3 41.0 25 28 A L H X S+ 0 0 78 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.902 112.1 47.2 -66.1 -39.2 7.9 87.8 38.1 26 29 A K H X S+ 0 0 57 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.841 108.2 56.2 -69.7 -34.9 9.3 91.3 39.0 27 30 A L H < S+ 0 0 22 -4,-2.3 12,-0.2 1,-0.2 -1,-0.2 0.912 110.7 44.9 -59.5 -43.4 12.8 89.8 39.3 28 31 A R H < S+ 0 0 130 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.909 116.4 46.3 -66.3 -39.6 12.4 88.6 35.8 29 32 A E H < S+ 0 0 146 -4,-1.9 2,-1.7 1,-0.2 3,-0.2 0.904 104.8 58.4 -72.5 -45.1 11.0 91.9 34.5 30 33 A D >< + 0 0 45 -4,-3.0 3,-0.7 1,-0.2 9,-0.3 -0.362 66.5 143.7 -88.2 59.4 13.5 94.3 36.1 31 34 A D T 3 + 0 0 85 -2,-1.7 -1,-0.2 -3,-0.4 -2,-0.1 0.622 54.9 65.9 -78.9 -14.8 16.5 92.7 34.4 32 35 A E T 3> + 0 0 129 -3,-0.2 4,-2.1 5,-0.1 3,-0.4 0.702 68.5 122.6 -83.6 -22.8 18.6 95.9 33.8 33 36 A Y H <>>S+ 0 0 45 -3,-0.7 5,-2.8 1,-0.2 4,-1.1 -0.081 80.5 2.1 -49.6 136.2 19.3 96.8 37.4 34 37 A D H >45S- 0 0 40 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.929 139.8 -42.5 54.4 58.1 23.0 97.0 38.4 35 38 A N H 345S- 0 0 122 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 115.2 -51.4 56.8 43.2 24.5 96.4 35.0 36 39 A Y H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.663 109.2 118.6 68.4 19.8 22.1 93.5 34.2 37 40 A I T <<5 - 0 0 4 -4,-1.1 3,-0.3 -3,-0.8 -3,-0.2 0.873 64.4-150.6 -70.7 -36.3 22.7 91.7 37.5 38 41 A G < - 0 0 9 -5,-2.8 4,-0.4 1,-0.2 -7,-0.1 -0.225 31.6 -68.0 79.8 176.9 19.0 92.2 38.4 39 42 A Y S > S+ 0 0 42 -9,-0.3 4,-2.1 -12,-0.2 5,-0.2 0.426 102.9 98.3 -87.4 0.1 17.6 92.5 41.9 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.949 84.7 43.7 -55.6 -54.5 18.3 88.9 43.1 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.918 112.6 51.1 -61.2 -41.7 21.5 89.5 44.9 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.872 108.7 52.9 -66.4 -30.4 20.4 92.7 46.7 43 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.876 108.6 49.6 -69.5 -39.0 17.2 91.0 47.9 44 47 A V H X S+ 0 0 7 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.936 112.5 47.8 -61.5 -46.1 19.4 88.2 49.4 45 48 A R H X S+ 0 0 92 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.909 109.7 53.8 -64.1 -41.0 21.5 90.8 51.1 46 49 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.948 107.9 48.9 -54.7 -48.2 18.4 92.5 52.4 47 50 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.874 114.0 47.8 -63.2 -35.6 17.0 89.3 53.9 48 51 A W H X S+ 0 0 42 -4,-1.9 4,-2.6 2,-0.2 3,-0.4 0.945 111.4 48.6 -68.0 -46.8 20.4 88.8 55.6 49 52 A H H < S+ 0 0 4 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.842 109.7 51.3 -68.0 -30.7 20.8 92.3 56.9 50 53 A I H < S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.785 119.7 37.4 -75.7 -22.2 17.3 92.4 58.4 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.4 -2,-0.2 0.762 103.8 69.5 -91.2 -33.1 18.0 89.1 60.2 52 55 A G T 3< S+ 0 0 0 -4,-2.6 -2,-0.1 1,-0.3 -3,-0.1 0.440 80.3 75.2 -77.6 -0.8 21.6 89.7 61.1 53 56 A T T 3 S+ 0 0 3 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.459 73.4 123.0 -75.7 -7.5 20.9 92.4 63.7 54 57 A W < - 0 0 22 -3,-1.5 2,-0.4 7,-0.2 7,-0.2 -0.235 47.9-160.2 -61.9 144.8 19.7 89.6 66.0 55 58 A D B >>> -B 60 0B 29 5,-2.2 4,-2.1 1,-0.1 3,-0.7 -0.961 8.1-159.1-124.1 114.5 21.3 89.1 69.4 56 59 A K T 345S+ 0 0 86 101,-2.3 -1,-0.1 -2,-0.4 102,-0.1 0.701 86.7 67.7 -60.5 -20.6 20.9 85.7 70.9 57 60 A H T 345S+ 0 0 139 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.890 125.0 2.6 -72.8 -38.5 21.6 87.1 74.4 58 61 A D T <45S- 0 0 77 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.302 95.9-116.7-129.6 5.2 18.4 89.2 74.7 59 62 A N T <5 + 0 0 23 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.796 62.4 148.3 55.2 34.9 16.5 88.5 71.5 60 63 A T B < +B 55 0B 36 -5,-0.6 -5,-2.2 -7,-0.1 -1,-0.2 -0.519 50.9 13.4 -86.2 163.4 16.7 92.0 70.2 61 64 A G S S+ 0 0 13 73,-0.5 4,-0.2 -7,-0.2 -7,-0.2 -0.264 74.6 124.0 68.6-157.6 17.0 92.6 66.5 62 65 A G S S- 0 0 4 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.048 75.5 -71.1 89.6 168.8 16.2 89.8 64.1 63 66 A S S > S+ 0 0 2 204,-0.5 3,-1.2 201,-0.3 -1,-0.2 0.705 106.8 84.3 -71.5 -24.0 13.8 89.5 61.2 64 67 A Y T 3 S+ 0 0 22 203,-0.4 38,-0.4 1,-0.3 64,-0.3 0.867 88.1 47.0 -51.5 -49.3 10.5 89.3 63.2 65 68 A G T 3 S- 0 0 5 -3,-0.4 65,-2.3 -4,-0.2 -1,-0.3 0.553 90.8-135.3 -79.1 -11.2 9.8 92.9 63.8 66 69 A G X + 0 0 2 -3,-1.2 3,-1.7 -4,-0.2 4,-0.1 0.788 48.2 155.1 61.9 31.4 10.3 94.2 60.2 67 70 A T G > + 0 0 6 -5,-0.4 3,-2.1 1,-0.3 6,-0.4 0.607 48.0 85.2 -76.9 -8.7 12.2 97.1 61.7 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.775 78.2 71.5 -57.9 -25.5 14.3 97.9 58.6 69 72 A R G < S+ 0 0 75 -3,-1.7 2,-0.3 4,-0.1 -1,-0.3 0.667 84.2 86.2 -65.0 -17.1 11.2 100.0 57.5 70 73 A F S X> S- 0 0 32 -3,-2.1 4,-2.9 -4,-0.1 3,-0.8 -0.685 88.0-119.7 -90.3 143.2 12.2 102.5 60.2 71 74 A K H 3> S+ 0 0 135 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.791 106.8 60.1 -53.3 -38.1 14.8 105.3 59.5 72 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.948 118.6 30.4 -56.9 -47.6 17.3 104.3 62.1 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.4 -6,-0.4 -2,-0.2 0.903 117.2 56.3 -78.4 -42.5 17.8 100.9 60.5 74 77 A F H 3< S+ 0 0 47 -4,-2.9 -2,-0.2 -7,-0.3 -1,-0.2 0.865 112.4 45.5 -52.2 -40.6 17.1 102.0 56.9 75 78 A N T 3< S+ 0 0 101 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.319 78.2 131.6 -91.5 4.2 19.9 104.5 57.3 76 79 A D X - 0 0 8 -3,-1.4 3,-2.2 1,-0.2 4,-0.2 -0.408 61.8-134.1 -55.0 127.9 22.4 102.2 58.9 77 80 A P G > S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.841 107.2 62.5 -53.7 -31.4 25.7 102.8 57.0 78 81 A S G 3 S+ 0 0 36 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.656 101.6 53.7 -66.5 -17.7 26.0 98.9 56.9 79 82 A N G X S+ 0 0 0 -3,-2.2 3,-2.5 -6,-0.1 4,-0.4 0.281 74.1 140.6 -99.7 7.9 22.7 98.9 54.9 80 83 A A T < S+ 0 0 25 -3,-1.5 101,-0.1 1,-0.3 -5,-0.1 -0.282 72.6 22.6 -57.2 125.1 23.9 101.3 52.2 81 84 A G T > S+ 0 0 6 99,-0.1 3,-1.5 101,-0.0 4,-0.4 0.010 94.4 98.3 107.7 -28.2 22.5 100.1 48.9 82 85 A L T X> + 0 0 2 -3,-2.5 4,-2.1 1,-0.3 3,-0.8 0.718 62.1 81.0 -71.5 -15.1 19.6 98.0 50.4 83 86 A Q H 3> S+ 0 0 55 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.830 86.1 60.9 -54.6 -32.0 17.2 100.8 49.7 84 87 A N H <> S+ 0 0 52 -3,-1.5 4,-1.8 2,-0.2 -1,-0.3 0.864 104.7 46.8 -61.2 -40.8 17.1 99.4 46.1 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.4 -2,-0.2 0.905 111.7 50.6 -65.6 -44.0 15.8 96.1 47.5 86 89 A F H X S+ 0 0 43 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.905 110.3 49.9 -62.9 -43.0 13.2 97.9 49.6 87 90 A K H < S+ 0 0 127 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.881 108.2 53.0 -62.8 -40.8 12.1 99.9 46.6 88 91 A F H < S+ 0 0 3 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.888 111.3 46.6 -57.8 -42.7 11.7 96.8 44.5 89 92 A L H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 3,-0.2 0.671 90.8 84.5 -80.8 -16.0 9.5 95.2 47.2 90 93 A E H X S+ 0 0 79 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.916 91.2 45.8 -54.8 -50.3 7.3 98.3 47.7 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.830 111.3 53.8 -66.7 -27.5 4.9 97.5 44.9 92 95 A I H > S+ 0 0 7 -4,-0.4 4,-2.0 -3,-0.2 -2,-0.2 0.908 108.4 49.9 -64.3 -43.8 4.7 93.9 46.0 93 96 A H H < S+ 0 0 47 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.881 109.2 52.2 -65.7 -36.1 3.7 95.1 49.5 94 97 A K H < S+ 0 0 163 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.891 110.5 47.2 -63.4 -39.6 1.1 97.3 47.9 95 98 A E H < S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 127.0 28.3 -68.9 -33.5 -0.4 94.4 46.0 96 99 A F >< + 0 0 21 -4,-2.0 3,-1.7 1,-0.1 -1,-0.3 -0.677 69.9 163.5-128.1 69.2 -0.3 92.2 49.2 97 100 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.709 67.1 70.6 -71.9 -12.5 -0.7 94.6 52.0 98 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.2 -4,-0.1 -89,-0.1 0.642 76.9 96.8 -71.5 -20.1 -1.6 91.8 54.5 99 102 A I S < S- 0 0 4 -3,-1.7 -3,-0.1 -6,-0.2 2,-0.0 -0.544 79.8-119.5 -75.6 139.9 1.9 90.4 54.5 100 103 A S > - 0 0 13 -2,-0.2 4,-2.3 27,-0.2 5,-0.1 -0.331 20.4-115.7 -72.8 161.9 4.1 91.6 57.4 101 104 A S H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 115.3 48.4 -65.6 -47.6 7.3 93.5 56.7 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.2 2,-0.2 5,-0.3 0.867 111.5 51.0 -59.0 -40.3 9.6 90.8 58.1 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 -2,-0.2 0.926 112.5 46.0 -63.7 -42.6 7.7 88.2 56.2 104 107 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.922 113.5 47.4 -67.7 -45.5 8.1 90.1 52.9 105 108 A F H X S+ 0 0 3 -4,-2.8 4,-1.2 2,-0.2 -58,-0.2 0.929 117.3 43.0 -63.7 -44.3 11.8 91.0 53.4 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.3 0.916 114.0 50.7 -66.8 -44.1 12.7 87.3 54.3 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.856 103.9 59.7 -62.3 -32.4 10.5 85.9 51.5 108 111 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.892 106.5 47.4 -62.0 -40.5 12.2 88.2 49.1 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.901 112.4 48.0 -66.3 -43.6 15.5 86.6 50.0 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.922 112.7 49.8 -57.3 -49.4 14.1 83.0 49.6 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.934 110.5 49.5 -58.2 -49.0 12.5 83.9 46.3 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 6,-0.2 0.936 110.4 49.5 -57.7 -51.2 15.7 85.4 45.0 113 116 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 80,-0.2 0.945 116.1 42.7 -52.6 -51.9 17.9 82.4 46.0 114 117 A Q H ><5S+ 0 0 4 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.915 113.4 49.9 -65.0 -44.3 15.4 80.0 44.3 115 118 A E H 3<5S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.0 60.1 -67.5 -27.4 14.8 82.0 41.2 116 119 A M T 3<5S- 0 0 14 -4,-2.3 77,-3.2 -5,-0.3 -1,-0.3 0.218 127.8-101.1 -82.0 18.6 18.6 82.3 40.8 117 120 A Q T < 5S+ 0 0 127 -3,-1.8 -3,-0.2 75,-0.2 -2,-0.2 0.649 79.6 136.8 72.8 20.6 18.7 78.4 40.6 118 121 A G < - 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0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.320 25.9-125.9 -82.4 150.5 29.8 92.7 60.5 143 146 A D - 0 0 77 1,-0.1 3,-0.3 -2,-0.1 -65,-0.0 -0.593 10.5-150.8 -79.0 149.8 32.9 94.6 59.3 144 147 A A S S+ 0 0 20 -2,-0.2 85,-1.4 1,-0.2 86,-0.2 0.543 83.8 72.7 -97.7 -14.4 34.7 93.4 56.2 145 148 A D S S+ 0 0 95 83,-0.2 -1,-0.2 82,-0.1 2,-0.2 0.071 83.7 95.3 -90.5 26.5 38.2 94.4 57.0 146 149 A K - 0 0 70 -3,-0.3 86,-0.2 1,-0.1 2,-0.1 -0.499 67.3-110.7-120.8 177.3 38.7 91.8 59.7 147 150 A D > - 0 0 96 -2,-0.2 4,-2.0 84,-0.1 3,-0.5 -0.374 41.8 -85.7-105.8-176.1 40.2 88.3 60.1 148 151 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.836 123.9 56.3 -60.9 -36.7 38.8 84.7 60.8 149 152 A G H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 107.6 48.8 -65.4 -37.6 38.8 85.2 64.5 150 153 A Y H > S+ 0 0 59 -3,-0.5 4,-3.0 2,-0.2 -2,-0.2 0.930 111.8 48.7 -62.6 -51.2 36.5 88.2 64.1 151 154 A V H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 112.0 49.6 -53.4 -49.8 34.2 86.4 61.8 152 155 A R H X S+ 0 0 47 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.930 115.6 41.4 -59.0 -49.9 34.0 83.4 64.2 153 156 A T H X S+ 0 0 93 -4,-2.2 4,-0.7 -5,-0.2 3,-0.4 0.915 112.2 55.6 -65.2 -43.4 33.2 85.6 67.2 154 157 A F H >< S+ 0 0 21 -4,-3.0 3,-1.4 1,-0.2 4,-0.4 0.938 107.9 48.5 -52.4 -51.5 30.8 87.8 65.3 155 158 A F H ><>S+ 0 0 10 -4,-2.4 5,-2.2 1,-0.3 3,-1.0 0.722 94.1 73.1 -73.3 -17.1 28.7 84.9 64.2 156 159 A Q H ><5S+ 0 0 98 -4,-1.2 3,-1.7 -3,-0.4 -1,-0.3 0.863 90.4 61.5 -59.0 -30.1 28.5 83.4 67.7 157 160 A R T <<5S+ 0 0 42 -3,-1.4 -101,-2.3 -4,-0.7 -1,-0.2 0.786 106.3 45.0 -66.9 -27.4 26.1 86.3 68.5 158 161 A L T < 5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.162 119.8-113.4 -97.3 9.6 23.8 84.9 65.8 159 162 A N T < 5 + 0 0 83 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.837 68.2 145.4 59.2 39.5 24.2 81.3 67.1 160 163 A M < - 0 0 7 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.886 34.2-154.3-109.6 135.7 26.1 80.2 64.0 161 164 A N > - 0 0 86 -2,-0.4 4,-2.5 -5,-0.0 5,-0.2 -0.333 40.2 -82.3 -96.2-177.7 28.9 77.7 64.1 162 165 A D H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 127.9 46.6 -56.0 -47.1 31.8 77.2 61.6 163 166 A R H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 113.3 49.9 -63.9 -41.6 29.9 75.2 59.0 164 167 A E H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.908 111.7 49.0 -61.2 -42.4 27.0 77.6 59.1 165 168 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.941 112.6 46.0 -61.3 -52.0 29.3 80.6 58.7 166 169 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.916 114.9 48.0 -60.3 -44.7 31.1 79.1 55.7 167 170 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.2 4,-0.3 0.946 111.9 49.1 -60.1 -50.7 27.9 78.0 54.1 168 171 A L H >< S+ 0 0 17 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.911 103.5 60.4 -59.1 -40.1 26.2 81.4 54.5 169 172 A M H >< S+ 0 0 20 -4,-2.5 3,-2.5 1,-0.3 -1,-0.3 0.720 84.2 80.6 -65.1 -16.5 29.3 83.2 53.1 170 173 A G G X< S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.7 27,-0.3 0.689 71.2 80.1 -64.2 -16.3 28.7 81.3 49.8 171 174 A A G X S+ 0 0 20 -3,-2.1 3,-2.3 1,-0.3 -1,-0.3 0.692 71.2 82.2 -57.4 -20.3 26.1 83.8 49.1 172 175 A H G < + 0 0 81 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.414 68.9 79.7 -72.6 5.7 29.1 86.0 48.1 173 176 A A G < S+ 0 0 10 -3,-1.8 2,-0.3 21,-0.2 -1,-0.3 0.646 87.4 80.7 -65.5 -22.4 28.9 84.1 44.7 174 177 A L S < S- 0 0 17 -3,-2.3 17,-0.2 -4,-0.1 19,-0.0 -0.659 96.6 -27.4 -96.7 141.4 26.1 86.6 44.1 175 178 A G B S-D 190 0D 11 15,-3.0 15,-0.7 -2,-0.3 2,-0.3 -0.248 75.3 -97.2 68.8-149.8 26.2 90.2 43.0 176 179 A K - 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