==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-DEC-99 1DJ5 . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.HIRST,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 8 2.7 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 35.4 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 0 2 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 0 123 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.0 12.3 -4.3 -0.2 2 5 A V - 0 0 100 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.902 360.0-164.5-111.3 134.7 13.8 -2.9 3.0 3 6 A H - 0 0 33 267,-0.5 269,-3.6 -2,-0.4 2,-0.5 -0.971 12.4-161.1-117.5 111.3 14.8 0.7 3.6 4 7 A V B -a 272 0A 71 -2,-0.5 269,-0.2 267,-0.2 2,-0.1 -0.840 24.0-114.6-100.0 126.1 17.0 1.1 6.7 5 8 A A - 0 0 11 267,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.380 32.1-169.2 -58.5 130.4 17.3 4.5 8.3 6 9 A S - 0 0 74 120,-2.5 120,-0.2 267,-0.1 3,-0.1 -0.933 19.1-130.5-125.1 107.5 20.8 5.9 8.0 7 10 A V - 0 0 53 -2,-0.4 3,-0.1 118,-0.2 5,-0.0 -0.243 36.0 -97.8 -55.2 134.0 21.7 9.0 10.0 8 11 A E > - 0 0 19 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.291 62.6 -83.4 -53.0 131.5 23.4 11.8 8.0 9 12 A K T 3 S- 0 0 202 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.223 104.7 -10.5 -59.4 121.6 27.0 11.2 8.8 10 13 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.420 99.5 133.0 74.7 8.1 28.1 12.9 12.0 11 14 A R < + 0 0 91 -3,-2.5 -1,-0.2 3,-0.0 2,-0.2 -0.643 29.1 178.5 -91.9 148.3 24.8 14.8 12.5 12 15 A S >> - 0 0 52 -2,-0.3 4,-1.4 -3,-0.1 3,-1.1 -0.712 47.7 -71.7-131.9-174.2 22.9 15.0 15.7 13 16 A Y H 3> S+ 0 0 63 1,-0.3 4,-2.3 -2,-0.2 3,-0.4 0.860 125.0 56.3 -45.0 -50.3 19.8 16.7 17.2 14 17 A E H 3> S+ 0 0 119 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.827 103.9 54.8 -62.8 -33.4 21.3 20.2 17.3 15 18 A D H <> S+ 0 0 30 -3,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.908 109.5 45.8 -64.9 -42.8 22.0 20.0 13.6 16 19 A F H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.4 -2,-0.2 0.834 105.0 61.3 -72.8 -29.8 18.4 19.2 12.7 17 20 A Q H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.884 102.2 53.9 -62.8 -32.8 17.1 21.9 15.1 18 21 A K H X S+ 0 0 121 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.919 107.1 49.0 -65.6 -41.8 19.0 24.4 12.9 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.946 111.6 50.6 -64.3 -44.0 17.3 23.1 9.8 20 23 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.933 109.3 51.2 -49.5 -55.1 13.9 23.5 11.7 21 24 A N H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.897 107.9 52.1 -58.4 -38.7 14.8 27.0 12.7 22 25 A A H X S+ 0 0 16 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.937 111.3 45.8 -65.9 -43.0 15.6 28.0 9.1 23 26 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.949 114.4 50.0 -60.1 -43.5 12.3 26.7 7.8 24 27 A A H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.858 109.3 49.5 -65.8 -41.8 10.5 28.5 10.7 25 28 A L H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.914 112.2 48.5 -63.9 -45.0 12.2 31.8 10.1 26 29 A K H X S+ 0 0 47 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.845 107.8 55.1 -67.3 -32.3 11.3 31.7 6.4 27 30 A L H < S+ 0 0 23 -4,-1.9 12,-0.3 2,-0.2 -1,-0.2 0.900 108.8 49.3 -62.6 -42.6 7.7 30.8 7.3 28 31 A R H < S+ 0 0 136 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.927 114.9 44.9 -56.8 -47.6 7.7 33.9 9.4 29 32 A E H < S+ 0 0 140 -4,-2.2 2,-1.2 1,-0.2 3,-0.3 0.847 104.4 57.6 -70.9 -41.7 9.1 36.0 6.6 30 33 A D >< + 0 0 30 -4,-2.3 3,-0.6 1,-0.2 9,-0.3 -0.408 63.9 140.5 -95.3 59.2 7.0 34.8 3.6 31 34 A D T 3 + 0 0 87 -2,-1.2 -1,-0.2 -3,-0.4 7,-0.1 0.601 56.5 67.1 -78.9 -17.0 3.6 35.7 5.1 32 35 A E T 3> + 0 0 76 -3,-0.3 4,-2.4 4,-0.1 3,-0.5 0.665 69.5 122.6 -79.6 -21.3 2.0 37.1 1.9 33 36 A Y H <>>S+ 0 0 39 -3,-0.6 5,-2.3 1,-0.2 4,-1.2 -0.066 79.9 4.9 -53.5 143.1 1.8 33.8 0.0 34 37 A D H >45S- 0 0 39 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.922 141.6 -43.5 46.9 57.7 -1.6 32.7 -1.1 35 38 A N H 345S- 0 0 141 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.3 -50.4 58.5 44.8 -3.5 35.8 0.0 36 39 A Y H 3<5S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.1 -3,-0.2 0.636 108.8 117.1 71.0 15.7 -1.7 36.0 3.4 37 40 A I T <<5 - 0 0 14 -4,-1.2 3,-0.3 -3,-0.8 -3,-0.2 0.872 66.9-146.3 -75.8 -29.3 -2.2 32.4 4.4 38 41 A G < - 0 0 9 -5,-2.3 4,-0.3 1,-0.2 -7,-0.2 -0.262 28.3 -71.6 88.7 177.6 1.5 31.9 4.4 39 42 A Y S > S+ 0 0 34 -9,-0.3 4,-1.9 -12,-0.3 5,-0.2 0.424 101.3 98.2 -93.2 4.1 3.4 28.6 3.4 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.951 84.1 45.6 -55.6 -56.6 2.5 26.5 6.4 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.922 111.4 49.9 -55.9 -47.8 -0.4 24.6 4.8 42 45 A V H > S+ 0 0 19 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.895 108.4 56.2 -65.6 -30.3 1.3 23.8 1.5 43 46 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.911 108.3 45.2 -64.6 -43.5 4.3 22.5 3.5 44 47 A V H X S+ 0 0 8 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.902 112.9 52.1 -72.5 -28.0 2.2 20.0 5.5 45 48 A A H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.875 108.8 51.1 -67.2 -36.1 0.4 19.0 2.2 46 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.961 108.5 49.9 -66.1 -45.0 3.8 18.4 0.6 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.826 113.0 48.9 -63.2 -29.4 5.0 16.2 3.5 48 51 A W H X S+ 0 0 50 -4,-1.6 4,-2.2 2,-0.2 3,-0.2 0.908 110.9 48.0 -76.4 -42.7 1.7 14.2 3.2 49 52 A H H < S+ 0 0 29 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.840 109.6 51.5 -72.1 -28.5 1.9 13.6 -0.5 50 53 A I H < S+ 0 0 6 -4,-2.0 12,-0.2 -5,-0.2 -1,-0.2 0.822 118.6 38.7 -77.2 -23.3 5.5 12.5 -0.6 51 54 A S H >< S+ 0 0 1 -4,-0.8 3,-1.5 -5,-0.2 -2,-0.2 0.720 104.1 71.9 -85.8 -27.9 4.7 9.9 2.1 52 55 A G T 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.504 79.0 73.3 -72.4 -8.5 1.2 9.1 0.7 53 56 A T T 3 S+ 0 0 5 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.546 72.4 124.8 -78.5 -10.3 2.6 7.1 -2.3 54 57 A W < - 0 0 26 -3,-1.5 2,-0.4 7,-0.2 7,-0.2 -0.125 46.2-161.1 -51.5 143.8 3.6 4.3 0.0 55 58 A D B >>> -B 60 0B 29 5,-1.9 4,-2.0 6,-0.1 3,-0.9 -0.940 5.5-160.2-127.5 112.3 2.3 0.8 -0.7 56 59 A K T 345S+ 0 0 71 101,-1.8 102,-0.1 -2,-0.4 -1,-0.1 0.616 85.1 67.1 -63.6 -16.5 2.5 -1.5 2.4 57 60 A H T 345S+ 0 0 144 100,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.882 124.3 4.5 -76.6 -38.1 2.3 -4.6 0.2 58 61 A D T <45S- 0 0 79 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.345 95.6-117.1-128.4 5.2 5.7 -4.2 -1.5 59 62 A N T <5 + 0 0 22 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.747 62.3 149.6 56.5 30.0 7.2 -1.2 0.2 60 63 A T B < +B 55 0B 44 -5,-0.7 -5,-1.9 -7,-0.0 -1,-0.2 -0.442 53.3 11.4 -77.4 165.5 7.2 0.8 -3.1 61 64 A G S S+ 0 0 17 73,-0.4 -7,-0.2 -7,-0.2 4,-0.2 -0.193 74.7 128.8 63.4-161.7 6.8 4.6 -2.8 62 65 A G S S- 0 0 6 -12,-0.2 3,-0.4 1,-0.1 5,-0.3 -0.167 72.7 -75.9 97.3 169.8 7.0 6.3 0.7 63 66 A S S > S+ 0 0 3 206,-0.4 3,-1.0 203,-0.2 -1,-0.1 0.663 107.3 84.7 -75.5 -21.8 9.0 9.3 2.0 64 67 A Y T 3 S+ 0 0 24 205,-0.4 38,-0.4 1,-0.2 64,-0.2 0.878 86.2 50.6 -53.6 -47.8 12.3 7.5 2.3 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-2.2 -4,-0.2 -1,-0.2 0.650 89.6-135.9 -73.6 -16.0 13.5 7.9 -1.3 66 69 A G X + 0 0 3 -3,-1.0 3,-1.7 -4,-0.2 4,-0.1 0.777 51.3 150.6 71.6 19.9 13.1 11.6 -1.8 67 70 A T G > + 0 0 7 -5,-0.3 3,-2.3 1,-0.3 6,-0.4 0.620 46.2 86.0 -73.9 -10.7 11.6 10.8 -5.2 68 71 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.775 78.3 71.0 -56.0 -25.4 9.3 13.8 -5.3 69 72 A R G < S+ 0 0 65 -3,-1.7 -1,-0.3 4,-0.1 2,-0.3 0.682 82.3 87.8 -67.8 -14.0 12.4 15.6 -6.8 70 73 A F S X> S- 0 0 34 -3,-2.3 4,-2.1 -4,-0.1 3,-1.2 -0.644 86.3-120.8 -90.9 147.5 12.0 13.7 -10.1 71 74 A K H 3> S+ 0 0 131 1,-0.3 4,-2.1 -2,-0.3 5,-0.1 0.799 106.7 62.8 -59.3 -37.1 9.8 15.0 -12.9 72 75 A K H 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.888 113.5 35.4 -56.4 -39.9 7.5 12.0 -13.0 73 76 A E H X4 S+ 0 0 4 -3,-1.2 3,-1.2 -6,-0.4 -2,-0.2 0.832 116.7 48.9 -85.2 -33.8 6.3 12.6 -9.4 74 77 A F H 3< S+ 0 0 72 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.805 108.9 57.0 -79.4 -16.6 6.3 16.4 -9.3 75 78 A N T 3< S+ 0 0 95 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.429 78.4 128.0 -83.0 -3.2 4.4 16.4 -12.5 76 79 A D X - 0 0 9 -3,-1.2 3,-2.6 1,-0.2 -3,-0.1 -0.364 63.1-138.8 -57.0 124.4 1.7 14.2 -10.8 77 80 A P G > S+ 0 0 97 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.872 105.9 61.6 -48.7 -39.1 -1.7 15.9 -11.4 78 81 A S G 3 S+ 0 0 46 1,-0.3 -2,-0.1 63,-0.1 -4,-0.0 0.680 103.4 51.8 -60.4 -19.9 -2.4 14.9 -7.7 79 82 A N G X S+ 0 0 1 -3,-2.6 3,-1.9 -6,-0.1 4,-0.4 0.130 74.6 141.6-104.9 15.1 0.5 17.1 -6.8 80 83 A A T < S+ 0 0 38 -3,-1.9 101,-0.1 1,-0.3 -5,-0.1 -0.375 73.6 20.9 -61.0 133.1 -0.5 20.3 -8.7 81 84 A G T > S+ 0 0 6 -2,-0.1 3,-1.6 99,-0.1 4,-0.4 0.032 95.0 98.6 98.9 -30.4 0.4 23.3 -6.5 82 85 A L T X> + 0 0 14 -3,-1.9 4,-2.0 1,-0.3 3,-0.8 0.701 60.6 83.2 -73.5 -14.0 3.0 21.5 -4.4 83 86 A Q H 3> S+ 0 0 67 -4,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.699 84.4 63.4 -54.4 -20.7 5.8 23.0 -6.6 84 87 A N H <> S+ 0 0 55 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.863 102.4 45.3 -74.2 -39.6 5.4 26.1 -4.3 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.4 -2,-0.2 0.927 112.6 52.0 -69.1 -41.7 6.5 24.2 -1.2 86 89 A F H X S+ 0 0 58 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.936 110.2 48.8 -56.8 -46.0 9.4 22.6 -3.1 87 90 A K H < S+ 0 0 127 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.867 109.6 52.8 -64.1 -39.5 10.4 26.1 -4.2 88 91 A F H < S+ 0 0 4 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.917 110.1 47.7 -55.1 -47.9 10.2 27.4 -0.6 89 92 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.634 90.4 84.4 -76.3 -12.1 12.4 24.6 0.6 90 93 A E H X S+ 0 0 103 -4,-0.9 4,-2.1 -3,-0.5 -1,-0.2 0.914 89.3 48.2 -61.4 -47.1 15.1 25.1 -2.0 91 94 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.824 111.3 54.0 -61.7 -24.8 17.0 27.9 -0.2 92 95 A I H > S+ 0 0 4 -4,-0.4 4,-1.6 -3,-0.3 -2,-0.2 0.942 107.0 47.7 -78.0 -39.5 16.9 25.7 2.9 93 96 A H H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.861 110.0 55.9 -62.6 -36.3 18.5 22.7 1.1 94 97 A K H < S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 108.8 45.5 -61.7 -40.7 21.1 25.1 -0.2 95 98 A E H < S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 126.7 30.5 -74.1 -26.4 21.9 26.3 3.3 96 99 A F >< + 0 0 21 -4,-1.6 3,-1.7 -5,-0.1 -1,-0.3 -0.594 68.6 164.6-132.8 70.9 22.0 22.7 4.6 97 100 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.685 67.1 71.5 -69.7 -12.5 23.1 20.5 1.7 98 101 A W T 3 S+ 0 0 57 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.718 76.9 92.3 -77.6 -17.1 23.9 17.6 3.9 99 102 A I S < S- 0 0 4 -3,-1.7 -3,-0.1 -6,-0.2 2,-0.0 -0.514 80.8-115.5 -78.7 146.3 20.3 16.7 4.7 100 103 A S > - 0 0 14 27,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.318 20.9-117.1 -72.4 163.3 18.5 14.1 2.5 101 104 A S H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 114.7 50.2 -68.6 -42.6 15.5 15.2 0.4 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-1.9 1,-0.2 5,-0.3 0.856 111.3 50.5 -60.1 -36.4 13.1 12.9 2.2 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.925 112.0 46.1 -70.2 -43.0 14.3 14.3 5.5 104 107 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 113.3 47.9 -66.1 -43.6 13.8 17.9 4.4 105 108 A F H X S+ 0 0 3 -4,-2.5 4,-1.2 2,-0.2 -58,-0.2 0.944 117.4 42.0 -61.6 -49.9 10.4 17.4 2.9 106 109 A S H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 3,-0.4 0.896 112.8 52.9 -66.2 -43.4 9.1 15.5 5.9 107 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.900 101.8 61.7 -63.5 -30.7 10.8 17.9 8.4 108 111 A G H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 103.6 49.5 -59.8 -37.0 9.1 20.8 6.5 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.929 111.6 47.4 -68.1 -40.1 5.7 19.3 7.5 110 113 A V H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.933 111.2 51.1 -63.8 -42.6 6.6 18.9 11.1 111 114 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 109.1 51.5 -64.2 -41.2 8.0 22.4 11.3 112 115 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.902 108.6 49.8 -61.8 -46.9 4.8 23.9 9.8 113 116 A V H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 82,-0.3 0.942 113.9 44.4 -58.8 -48.8 2.4 22.2 12.2 114 117 A Q H ><5S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.889 113.6 48.9 -67.7 -39.8 4.4 23.2 15.4 115 118 A E H 3<5S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.786 105.1 59.0 -73.2 -22.7 4.9 26.8 14.3 116 119 A M T 3<5S- 0 0 17 -4,-1.7 79,-2.4 -5,-0.2 -1,-0.3 0.176 128.7-101.9 -86.1 17.7 1.2 27.1 13.4 117 120 A Q T < 5S+ 0 0 110 -3,-1.4 -3,-0.2 77,-0.2 -2,-0.2 0.735 78.3 137.5 73.0 25.6 0.6 26.2 17.1 118 121 A G < - 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