==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-02 1KRJ . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.A.BONAGURA,B.BHASKAR,M.SUNDARAMOORTHY,T.L.POULOS . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 64.3 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 5.1 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 . 46 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 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 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 1 A T 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.5 15.5 96.5 80.1 2 2 A T - 0 0 124 1,-0.1 2,-0.2 0, 0.0 59,-0.1 -0.441 360.0-100.0 -57.6 129.8 13.9 93.1 80.2 3 3 A P - 0 0 73 0, 0.0 59,-0.2 0, 0.0 -1,-0.1 -0.390 41.6-124.3 -55.7 121.9 14.7 91.4 76.8 4 4 A L - 0 0 106 57,-0.6 2,-0.5 -2,-0.2 0, 0.0 -0.373 13.2-141.2 -71.1 149.4 11.7 91.7 74.5 5 5 A V - 0 0 99 -2,-0.1 2,-0.7 2,-0.0 269,-0.1 -0.926 9.3-155.4-110.4 129.1 10.0 88.7 73.0 6 6 A H E -a 274 0A 27 267,-0.7 269,-3.4 -2,-0.5 2,-0.4 -0.897 9.9-163.5-110.4 99.4 8.9 89.1 69.5 7 7 A V E -a 275 0A 69 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.729 24.8-115.8 -86.0 128.7 6.1 86.7 68.7 8 8 A A - 0 0 13 267,-2.8 2,-0.5 -2,-0.4 122,-0.2 -0.418 30.3-167.4 -62.5 130.6 5.3 86.1 65.0 9 9 A S - 0 0 73 120,-2.6 120,-0.2 -2,-0.1 3,-0.1 -0.956 19.1-130.3-127.1 106.9 1.8 87.3 64.2 10 10 A V - 0 0 55 -2,-0.5 3,-0.2 118,-0.2 2,-0.1 -0.324 33.9-100.1 -56.7 135.1 0.5 86.2 60.8 11 11 A E > - 0 0 23 1,-0.2 3,-2.7 2,-0.1 -1,-0.1 -0.412 63.1 -77.8 -59.2 125.4 -0.9 89.1 58.7 12 12 A K T 3 S- 0 0 196 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.055 106.6 -14.4 -33.3 115.2 -4.7 88.8 59.2 13 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.430 99.5 140.1 68.1 1.5 -6.3 86.1 57.1 14 14 A R < + 0 0 82 -3,-2.7 2,-0.2 3,-0.1 -1,-0.2 -0.465 22.4 168.9 -80.4 147.0 -3.1 85.7 54.9 15 15 A S >> - 0 0 50 -2,-0.2 4,-1.5 -3,-0.1 3,-0.7 -0.739 52.8 -65.1-138.9-170.7 -1.8 82.4 53.8 16 16 A Y H 3> S+ 0 0 81 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.852 125.7 56.8 -50.2 -48.1 0.8 80.9 51.3 17 17 A E H 3> S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 103.9 53.2 -55.0 -41.5 -1.0 82.2 48.2 18 18 A D H <> S+ 0 0 22 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.943 112.9 43.2 -60.9 -47.8 -0.9 85.8 49.4 19 19 A F H X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.862 108.7 57.2 -68.6 -33.8 2.8 85.6 50.0 20 20 A Q H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.867 105.5 53.5 -65.5 -32.1 3.5 83.8 46.7 21 21 A K H X S+ 0 0 115 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.893 109.7 46.2 -67.7 -39.5 1.7 86.8 45.0 22 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.930 112.5 51.1 -67.2 -43.6 4.1 89.2 46.8 23 23 A Y H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.942 110.5 49.0 -55.9 -51.4 7.1 86.9 45.8 24 24 A N H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.878 108.8 52.7 -57.9 -41.0 5.9 87.0 42.1 25 25 A A H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.928 112.9 44.4 -61.7 -45.2 5.5 90.8 42.2 26 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.957 114.9 48.7 -63.6 -48.4 9.1 91.1 43.4 27 27 A A H X S+ 0 0 1 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.853 111.2 49.5 -59.9 -40.4 10.4 88.5 40.9 28 28 A L H X S+ 0 0 77 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.863 111.3 49.1 -69.2 -35.4 8.6 90.1 38.0 29 29 A K H X S+ 0 0 48 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.871 107.1 55.6 -72.4 -35.2 10.0 93.5 38.9 30 30 A L H < S+ 0 0 20 -4,-2.3 12,-0.3 1,-0.2 -2,-0.2 0.933 110.8 45.4 -59.8 -45.3 13.5 92.0 39.2 31 31 A R H >< S+ 0 0 125 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.884 115.3 48.4 -64.3 -40.5 13.1 90.8 35.6 32 32 A E H 3< S+ 0 0 141 -4,-2.0 2,-0.8 1,-0.2 3,-0.3 0.930 109.4 48.8 -67.2 -49.7 11.7 94.1 34.5 33 33 A D T >< + 0 0 44 -4,-3.0 3,-0.9 1,-0.2 9,-0.3 -0.284 68.3 139.7 -91.7 50.1 14.3 96.5 36.0 34 34 A D T < + 0 0 81 -2,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.554 55.6 73.1 -69.6 -12.5 17.3 94.5 34.6 35 35 A E T 3> + 0 0 127 -3,-0.3 4,-2.6 4,-0.1 3,-0.3 0.791 68.5 116.8 -73.8 -31.3 19.3 97.6 33.7 36 36 A Y H <>>S+ 0 0 44 -3,-0.9 5,-2.9 1,-0.2 4,-1.3 -0.008 80.9 7.4 -43.7 138.4 20.1 98.6 37.3 37 37 A D H >45S- 0 0 32 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.936 139.8 -47.3 51.3 57.9 23.8 98.6 38.3 38 38 A N H 345S- 0 0 148 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.893 113.3 -49.2 52.3 47.3 25.1 98.0 34.8 39 39 A Y H 3<5S+ 0 0 147 -4,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 0.665 111.8 115.7 69.4 19.9 22.7 95.2 34.1 40 40 A I T <<5 - 0 0 11 -4,-1.3 3,-0.3 -3,-1.0 -3,-0.2 0.872 67.6-148.7 -80.3 -37.8 23.4 93.3 37.3 41 41 A G < - 0 0 7 -5,-2.9 4,-0.4 1,-0.2 -7,-0.1 -0.278 27.9 -70.1 93.1 174.4 19.8 94.0 38.4 42 42 A Y S > S+ 0 0 40 -9,-0.3 4,-1.8 -12,-0.3 5,-0.2 0.464 103.7 96.5 -82.9 -5.8 18.3 94.5 41.8 43 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.7 1,-0.2 3,-0.4 0.939 84.9 44.5 -49.6 -59.6 18.8 90.9 42.9 44 44 A P H > S+ 0 0 15 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.900 112.3 50.5 -54.9 -47.0 22.1 91.5 44.8 45 45 A V H > S+ 0 0 16 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.829 108.4 54.6 -66.1 -25.9 21.0 94.7 46.6 46 46 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 -3,-0.4 66,-0.2 0.898 104.2 52.9 -73.1 -39.5 17.8 93.0 47.8 47 47 A V H X S+ 0 0 8 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.877 112.6 47.5 -62.4 -31.3 19.8 90.1 49.4 48 48 A R H X S+ 0 0 65 -4,-1.5 4,-4.0 2,-0.2 5,-0.3 0.894 105.5 54.4 -76.0 -47.2 21.8 92.7 51.3 49 49 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.986 111.9 48.6 -52.2 -46.8 18.9 94.7 52.4 50 50 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 58,-0.3 -2,-0.2 0.896 114.8 43.4 -57.4 -47.9 17.6 91.4 53.8 51 51 A W H X S+ 0 0 50 -4,-2.2 4,-3.3 1,-0.2 3,-0.4 0.940 116.4 46.4 -67.2 -44.7 21.0 90.6 55.5 52 52 A H H < S+ 0 0 17 -4,-4.0 4,-0.3 1,-0.2 -2,-0.2 0.821 110.0 52.6 -68.9 -31.3 21.5 94.1 56.8 53 53 A T H < S+ 0 0 5 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.757 120.4 35.1 -75.6 -21.9 18.0 94.5 58.2 54 54 A S H >< S+ 0 0 1 -4,-1.1 3,-1.6 -3,-0.4 -2,-0.2 0.762 103.8 73.3 -97.6 -31.1 18.5 91.2 60.1 55 55 A G T 3< S+ 0 0 0 -4,-3.3 -2,-0.1 1,-0.3 -3,-0.1 0.426 78.4 74.6 -66.8 -2.6 22.2 91.6 60.9 56 56 A T T 3 S+ 0 0 3 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.457 72.0 123.5 -86.3 -4.7 21.6 94.2 63.6 57 57 A W < - 0 0 22 -3,-1.6 2,-0.5 7,-0.2 7,-0.2 -0.232 47.6-159.1 -59.8 144.5 20.3 91.5 65.9 58 58 A D B >>> -B 63 0B 30 5,-1.7 4,-1.7 1,-0.1 3,-0.9 -0.953 8.3-156.2-128.9 110.1 22.0 91.0 69.3 59 59 A K T 345S+ 0 0 86 101,-2.4 -1,-0.1 -2,-0.5 102,-0.1 0.705 87.7 68.2 -56.2 -22.8 21.4 87.5 70.8 60 60 A H T 345S+ 0 0 134 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.867 123.4 2.7 -69.0 -40.7 22.0 89.0 74.3 61 61 A D T <45S- 0 0 52 -3,-0.9 -57,-0.6 2,-0.1 -2,-0.2 0.217 95.4-116.1-131.4 10.4 18.9 91.2 74.6 62 62 A N T <5 + 0 0 25 -4,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.812 61.4 152.3 56.3 33.3 17.1 90.5 71.4 63 63 A T B < +B 58 0B 48 -5,-0.7 -5,-1.7 -7,-0.1 -1,-0.2 -0.620 51.9 8.0 -88.6 156.0 17.5 94.1 70.1 64 64 A G S S+ 0 0 12 73,-0.5 4,-0.2 -2,-0.2 -7,-0.2 -0.314 75.6 128.5 71.2-158.9 17.5 94.7 66.4 65 65 A G S S- 0 0 3 -12,-0.2 5,-0.3 -13,-0.2 4,-0.3 -0.218 73.9 -69.9 97.6 172.0 16.7 91.8 64.0 66 66 A S S > S+ 0 0 3 206,-0.5 3,-1.1 203,-0.3 -1,-0.1 0.770 107.9 84.4 -72.6 -30.5 14.3 91.5 61.1 67 67 A Y T 3 S+ 0 0 24 205,-0.4 38,-0.4 1,-0.2 39,-0.2 0.856 90.6 42.7 -40.7 -57.5 11.1 91.5 63.2 68 68 A G T 3 S- 0 0 4 -3,-0.3 65,-1.7 -4,-0.2 -1,-0.2 0.592 87.8-139.5 -73.5 -15.6 10.5 95.2 63.5 69 69 A G X + 0 0 4 -3,-1.1 3,-1.5 -4,-0.3 -3,-0.1 0.810 42.0 160.1 58.7 34.2 11.3 96.4 60.0 70 70 A T G > + 0 0 6 -5,-0.3 3,-2.2 1,-0.3 6,-0.4 0.521 47.7 89.9 -67.7 -7.5 13.1 99.4 61.5 71 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.775 74.3 72.9 -60.5 -23.2 15.2 100.2 58.4 72 72 A R G < S+ 0 0 71 -3,-1.5 2,-0.4 4,-0.1 -1,-0.3 0.639 83.3 84.3 -66.7 -13.5 12.2 102.4 57.4 73 73 A F S X> S- 0 0 32 -3,-2.2 4,-2.5 1,-0.1 3,-1.1 -0.783 88.8-120.5 -94.8 137.7 13.3 104.9 60.1 74 74 A K H 3> S+ 0 0 137 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.709 105.6 63.1 -44.9 -38.2 16.1 107.4 59.2 75 75 A K H 34 S+ 0 0 80 2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.946 117.4 29.4 -57.1 -46.3 18.5 106.4 61.9 76 76 A E H X4 S+ 0 0 4 -3,-1.1 3,-1.6 -6,-0.4 -2,-0.2 0.868 117.2 57.7 -80.0 -39.8 18.9 102.9 60.4 77 77 A F H 3< S+ 0 0 53 -4,-2.5 -2,-0.2 -7,-0.3 -3,-0.2 0.876 111.6 45.1 -57.8 -36.1 18.2 104.1 56.8 78 78 A N T 3< S+ 0 0 101 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.243 78.0 132.5 -94.1 9.9 21.2 106.5 57.2 79 79 A D X - 0 0 7 -3,-1.6 3,-2.1 1,-0.2 4,-0.1 -0.462 60.3-135.1 -61.3 129.8 23.6 104.0 58.8 80 80 A P G > S+ 0 0 97 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.893 107.4 61.1 -56.2 -34.6 26.9 104.4 56.9 81 81 A S G 3 S+ 0 0 40 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.636 102.1 53.8 -65.1 -15.7 27.1 100.6 56.8 82 82 A N G X S+ 0 0 0 -3,-2.1 3,-2.4 -6,-0.1 4,-0.4 0.283 74.3 141.0-102.2 8.7 23.8 100.7 54.8 83 83 A A T < S+ 0 0 27 -3,-1.9 101,-0.1 1,-0.3 -5,-0.1 -0.301 72.1 22.6 -55.5 124.9 25.0 103.1 52.1 84 84 A G T > S+ 0 0 5 99,-0.1 3,-1.2 100,-0.1 4,-0.4 0.060 93.6 100.1 104.5 -22.5 23.5 101.9 48.8 85 85 A L T X> + 0 0 0 -3,-2.4 4,-2.1 1,-0.3 3,-0.8 0.726 60.7 81.4 -68.9 -20.4 20.6 100.0 50.3 86 86 A Q H 3> S+ 0 0 49 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.833 86.4 61.3 -53.7 -31.5 18.2 102.9 49.6 87 87 A N H <> S+ 0 0 46 -3,-1.2 4,-1.7 2,-0.2 -1,-0.3 0.910 104.2 45.9 -62.4 -44.4 18.1 101.4 46.0 88 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.4 -2,-0.2 0.910 112.9 50.5 -65.5 -41.5 16.7 98.2 47.3 89 89 A F H X S+ 0 0 46 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.905 109.3 50.4 -62.9 -42.8 14.2 100.0 49.5 90 90 A K H < S+ 0 0 118 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 108.2 54.2 -63.6 -36.4 13.1 102.2 46.5 91 91 A F H X S+ 0 0 4 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.895 109.1 48.1 -62.7 -42.6 12.6 99.0 44.5 92 92 A L H X S+ 0 0 3 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.702 89.9 84.6 -72.7 -21.1 10.3 97.5 47.2 93 93 A E H X S+ 0 0 93 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.899 91.3 45.5 -49.6 -52.4 8.2 100.7 47.5 94 94 A P H > S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.892 113.0 52.9 -59.7 -39.1 5.9 99.8 44.5 95 95 A I H X S+ 0 0 6 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.942 110.1 46.3 -61.4 -48.1 5.6 96.2 45.9 96 96 A H H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 6,-0.2 0.811 109.5 55.7 -66.5 -30.5 4.6 97.5 49.3 97 97 A K H < S+ 0 0 155 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.907 110.3 44.7 -67.1 -41.5 2.1 99.9 47.8 98 98 A E H < S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.818 126.0 32.6 -72.6 -30.6 0.4 97.0 45.9 99 99 A F >< + 0 0 20 -4,-2.0 3,-1.8 -5,-0.2 -1,-0.3 -0.503 68.2 162.0-125.7 68.2 0.5 94.8 49.1 100 100 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.605 67.5 71.5 -61.8 -13.4 0.1 97.3 52.0 101 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.687 76.9 91.1 -77.6 -21.9 -0.9 94.5 54.3 102 102 A I S < S- 0 0 4 -3,-1.8 29,-0.1 -6,-0.2 -3,-0.1 -0.543 81.0-118.3 -78.3 138.9 2.6 92.9 54.5 103 103 A S > - 0 0 14 27,-0.3 4,-1.8 -2,-0.2 5,-0.1 -0.329 20.7-116.3 -70.2 160.4 4.8 94.1 57.3 104 104 A S H > S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.932 115.6 52.7 -63.6 -45.1 8.1 95.8 56.5 105 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.2 1,-0.2 5,-0.2 0.904 110.2 47.5 -58.0 -44.5 10.1 93.1 58.2 106 106 A D H > S+ 0 0 0 24,-0.3 4,-2.1 -39,-0.2 -1,-0.2 0.853 114.0 48.4 -65.4 -35.4 8.3 90.4 56.1 107 107 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 111.4 47.8 -70.4 -47.4 8.9 92.5 52.9 108 108 A F H X S+ 0 0 4 -4,-3.1 4,-1.3 2,-0.2 -58,-0.3 0.943 118.1 41.8 -58.7 -49.8 12.6 93.1 53.5 109 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 3,-0.2 0.901 113.3 51.9 -66.3 -41.5 13.3 89.5 54.3 110 110 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.836 103.7 59.5 -65.1 -32.2 11.0 88.1 51.5 111 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 107.1 46.6 -61.6 -40.7 12.9 90.4 49.1 112 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -66,-0.2 -2,-0.2 0.942 113.2 47.8 -66.0 -49.7 16.1 88.6 50.0 113 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 113.7 48.2 -56.4 -47.4 14.6 85.1 49.7 114 114 A T H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.929 110.7 50.4 -60.7 -48.5 13.0 86.0 46.3 115 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 6,-0.2 0.947 110.9 48.6 -56.5 -50.5 16.2 87.5 44.9 116 116 A V H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 82,-0.3 0.933 115.2 44.2 -56.4 -49.2 18.3 84.4 45.9 117 117 A Q H ><5S+ 0 0 7 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.913 113.1 50.1 -64.3 -43.1 15.7 82.0 44.3 118 118 A E H 3<5S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.806 105.1 58.3 -66.6 -28.4 15.3 84.0 41.2 119 119 A M T 3<5S- 0 0 14 -4,-2.1 79,-3.2 -5,-0.2 -1,-0.3 0.089 128.2 -98.9 -89.0 25.0 19.0 84.2 40.7 120 120 A Q T < 5S+ 0 0 129 -3,-1.4 -3,-0.2 77,-0.2 -2,-0.2 0.653 79.4 138.8 68.1 23.6 19.1 80.4 40.7 121 121 A G < - 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0 0 27 -2,-0.9 3,-0.5 -26,-0.2 -23,-0.1 -0.885 67.5-100.3-143.9 173.5 26.7 79.9 42.6 200 200 A N T >> S+ 0 0 6 -2,-0.3 4,-1.4 1,-0.2 3,-0.9 0.168 81.5 115.9 -86.3 20.2 29.7 78.7 44.6 201 201 A S H 3> + 0 0 27 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.770 63.2 69.4 -59.6 -28.7 32.2 80.7 42.5 202 202 A F H <> S+ 0 0 0 -3,-0.5 4,-2.0 -29,-0.3 -1,-0.2 0.902 103.5 42.8 -56.0 -43.0 33.2 82.8 45.5 203 203 A Y H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.886 114.4 50.6 -72.3 -39.6 34.9 79.8 47.1 204 204 A L H X S+ 0 0 55 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.918 112.6 45.7 -65.2 -44.5 36.5 78.7 43.8 205 205 A N H X S+ 0 0 18 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.924 109.7 55.1 -64.1 -44.8 37.9 82.2 43.1 206 206 A L H < S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.893 118.8 34.4 -55.8 -40.3 39.1 82.5 46.7 207 207 A L H < S+ 0 0 54 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.830 127.0 34.4 -86.1 -34.5 41.1 79.3 46.3 208 208 A N H < S+ 0 0 109 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.693 95.1 87.1 -99.3 -21.7 42.1 79.4 42.6 209 209 A E S < S- 0 0 44 -4,-2.5 2,-0.8 -5,-0.3 16,-0.0 -0.327 76.6-118.6 -78.7 162.0 42.8 83.0 41.8 210 210 A D - 0 0 109 -2,-0.1 16,-0.6 2,-0.0 2,-0.3 -0.891 37.1-161.7-102.9 101.2 46.1 84.8 42.3 211 211 A W E -E 225 0E 28 -2,-0.8 2,-0.4 14,-0.2 14,-0.2 -0.685 10.9-164.8 -89.9 141.8 45.4 87.6 44.7 212 212 A K E -E 224 0E 132 12,-2.3 12,-2.4 -2,-0.3 2,-0.8 -0.986 25.0-125.1-124.2 128.8 47.5 90.7 45.3 213 213 A L E +E 223 0E 78 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.675 49.8 160.1 -76.3 110.0 47.0 92.9 48.3 214 214 A E E -E 222 0E 77 8,-2.8 8,-2.4 -2,-0.8 2,-0.4 -0.712 40.5-113.6-126.2 174.3 46.5 96.3 46.8 215 215 A K E -E 221 0E 118 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.934 27.8-146.1-112.3 134.9 45.0 99.7 47.7 216 216 A N > - 0 0 20 4,-2.8 3,-2.2 -2,-0.4 4,-0.1 -0.338 39.2 -86.5 -88.3 179.9 41.9 101.0 45.9 217 217 A D T 3 S+ 0 0 158 1,-0.3 -30,-0.1 2,-0.1 -1,-0.0 0.577 127.8 61.1 -66.0 -8.7 41.1 104.6 45.0 218 218 A A T 3 S- 0 0 39 -32,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.275 118.8-111.4 -98.7 9.3 39.5 105.1 48.5 219 219 A N S < S+ 0 0 107 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.764 77.0 130.3 66.7 28.4 42.9 104.2 50.0 220 220 A N - 0 0 55 -34,-0.2 -4,-2.8 -4,-0.1 2,-0.3 -0.884 58.8-117.2-113.3 144.9 41.7 100.9 51.4 221 221 A E E +E 215 0E 101 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.593 40.6 158.1 -82.1 141.0 43.3 97.6 51.0 222 222 A Q E -E 214 0E 5 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.6 -0.968 42.4-106.2-156.6 153.5 41.6 94.8 49.1 223 223 A W E -EF 213 231E 39 8,-2.4 8,-1.5 -2,-0.3 2,-0.3 -0.789 38.8-171.7 -89.7 121.9 42.7 91.6 47.3 224 224 A D E -EF 212 230E 32 -12,-2.4 -12,-2.3 -2,-0.6 2,-0.3 -0.796 9.9-155.8-114.7 152.4 42.6 91.8 43.5 225 225 A S E > -E 211 0E 11 4,-1.9 3,-2.5 -2,-0.3 4,-0.3 -0.942 30.9-116.4-125.1 150.7 43.1 89.2 40.8 226 226 A K T 3 S+ 0 0 163 -16,-0.6 -1,-0.1 -2,-0.3 -15,-0.1 0.789 112.4 68.2 -52.9 -31.2 44.2 89.6 37.2 227 227 A S T 3 S- 0 0 68 -17,-0.1 -1,-0.3 1,-0.1 -18,-0.0 0.517 121.6-102.6 -69.9 -5.9 40.7 88.3 36.2 228 228 A G S < S+ 0 0 48 -3,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.656 80.0 127.2 93.1 17.5 39.1 91.4 37.6 229 229 A Y - 0 0 44 -4,-0.3 -4,-1.9 -40,-0.1 -1,-0.3 -0.633 37.7-162.6-102.4 163.5 37.8 90.0 40.8 230 230 A M E -F 224 0E 2 -40,-2.0 2,-0.3 -2,-0.2 -6,-0.2 -0.902 7.4-158.6-140.9 164.2 38.3 91.3 44.3 231 231 A M E -F 223 0E 0 -8,-1.5 -8,-2.4 -2,-0.3 -40,-0.0 -0.978 21.5-125.0-144.5 138.1 38.0 90.0 47.9 232 232 A L >> - 0 0 14 -2,-0.3 4,-2.8 -10,-0.2 3,-0.7 -0.471 33.3-107.5 -78.9 158.0 37.6 92.1 51.1 233 233 A P H 3> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -85,-0.2 0.895 125.0 53.9 -53.7 -36.0 40.1 91.5 53.9 234 234 A T H 34 S+ 0 0 13 -87,-1.4 4,-0.3 2,-0.2 -86,-0.1 0.806 109.0 46.5 -68.2 -32.4 37.2 89.8 55.7 235 235 A D H X4 S+ 0 0 0 -3,-0.7 3,-1.4 -88,-0.2 4,-0.2 0.898 111.8 50.9 -73.4 -45.1 36.6 87.4 52.7 236 236 A Y H >X S+ 0 0 43 -4,-2.8 3,-2.1 1,-0.3 4,-0.7 0.827 96.9 69.9 -62.2 -30.2 40.3 86.7 52.4 237 237 A S H 3X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.3 3,-0.3 0.745 84.2 71.6 -60.7 -21.6 40.4 85.8 56.1 238 238 A L H <4 S+ 0 0 0 -3,-1.4 10,-0.3 -4,-0.3 -1,-0.3 0.704 105.0 37.5 -68.5 -21.9 38.3 82.7 55.3 239 239 A I H <4 S+ 0 0 35 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.499 112.4 58.4-104.2 -8.2 41.4 81.2 53.6 240 240 A Q H < S+ 0 0 107 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.769 95.5 71.8 -86.1 -33.3 43.9 82.6 56.1 241 241 A D S X S- 0 0 15 -4,-2.0 4,-2.9 1,-0.1 5,-0.1 -0.757 78.7-143.7 -85.9 129.6 42.1 80.9 59.0 242 242 A P H > S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.871 99.1 48.1 -59.1 -44.2 42.6 77.0 59.0 243 243 A K H > S+ 0 0 119 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.919 115.0 44.7 -65.5 -43.8 39.2 76.2 60.3 244 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.925 108.1 60.2 -65.1 -42.9 37.5 78.5 57.7 245 245 A L H 3X S+ 0 0 43 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.846 99.7 54.5 -54.2 -42.7 39.8 77.2 55.0 246 246 A S H 3X S+ 0 0 79 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.883 111.9 44.5 -60.1 -39.2 38.5 73.6 55.4 247 247 A I H < S+ 0 0 60 -4,-1.3 3,-0.7 1,-0.2 4,-0.4 0.950 111.7 41.7 -64.2 -48.2 34.3 71.9 51.1 251 251 A Y H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 7,-0.2 0.805 109.4 59.6 -70.0 -29.2 31.9 74.4 49.4 252 252 A A H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.716 114.1 38.6 -69.4 -21.5 34.3 74.9 46.5 253 253 A N T << S+ 0 0 133 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 0.362 117.6 47.4-112.2 7.4 33.9 71.2 45.9 254 254 A D <> + 0 0 71 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 -0.683 51.7 178.3-154.0 93.0 30.3 70.6 46.6 255 255 A Q H > S+ 0 0 124 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.882 86.8 51.7 -60.1 -44.1 27.7 73.0 45.1 256 256 A D H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.922 108.5 50.4 -62.4 -44.7 24.8 71.1 46.6 257 257 A K H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 110.5 50.3 -60.9 -42.1 26.2 71.2 50.1 258 258 A F H X S+ 0 0 0 -4,-2.0 4,-3.0 -7,-0.2 5,-0.3 0.941 111.1 48.9 -60.9 -48.3 26.8 74.9 49.8 259 259 A F H X S+ 0 0 50 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.956 113.6 46.1 -56.8 -50.7 23.2 75.4 48.7 260 260 A K H X S+ 0 0 118 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.904 116.4 44.1 -60.7 -44.0 21.8 73.4 51.5 261 261 A D H X S+ 0 0 13 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.887 113.6 50.0 -70.3 -39.0 24.0 75.0 54.2 262 262 A F H X S+ 0 0 1 -4,-3.0 4,-3.0 -5,-0.2 5,-0.3 0.923 108.0 54.0 -64.7 -43.8 23.4 78.5 52.9 263 263 A S H X S+ 0 0 15 -4,-2.7 4,-2.1 -5,-0.3 5,-0.2 0.941 112.0 44.4 -55.4 -49.1 19.6 78.0 52.8 264 264 A K H X S+ 0 0 141 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.954 116.9 44.4 -61.3 -50.2 19.6 76.9 56.5 265 265 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.848 113.4 50.0 -64.4 -37.8 21.9 79.7 57.6 266 266 A F H X S+ 0 0 3 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.889 111.7 47.8 -69.7 -40.8 20.1 82.5 55.6 267 267 A E H X S+ 0 0 32 -4,-2.1 4,-1.0 -5,-0.3 -2,-0.2 0.937 112.4 50.2 -64.2 -44.5 16.7 81.4 56.9 268 268 A K H >X S+ 0 0 55 -4,-2.4 4,-1.0 1,-0.2 3,-0.8 0.915 109.3 51.1 -58.6 -44.1 18.1 81.4 60.5 269 269 A L H 3< S+ 0 0 3 -4,-2.3 3,-0.4 1,-0.2 -203,-0.3 0.890 110.7 49.1 -59.8 -42.7 19.6 84.8 60.0 270 270 A L H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.613 116.3 42.5 -73.5 -13.5 16.2 86.1 58.8 271 271 A E H X< S+ 0 0 32 -4,-1.0 3,-2.1 -3,-0.8 -1,-0.2 0.439 78.9 129.7-113.2 -2.1 14.4 84.6 61.8 272 272 A N T 3< S+ 0 0 16 -4,-1.0 -206,-0.5 -3,-0.4 -205,-0.4 -0.306 77.1 18.9 -56.0 132.6 16.8 85.4 64.6 273 273 A G T 3 S+ 0 0 17 1,-0.2 -267,-0.7 -208,-0.1 2,-0.5 0.289 98.7 116.6 89.0 -8.5 14.9 87.1 67.5 274 274 A I E < -a 6 0A 17 -3,-2.1 2,-0.6 -269,-0.1 -1,-0.2 -0.812 53.3-150.8-100.9 133.0 11.5 85.8 66.4 275 275 A T E -a 7 0A 68 -269,-3.4 -267,-2.8 -2,-0.5 -3,-0.0 -0.875 11.4-158.2-100.5 114.5 9.4 83.5 68.5 276 276 A F - 0 0 39 -2,-0.6 -269,-0.1 -269,-0.2 -267,-0.1 -0.871 18.5-128.4 -96.3 116.3 7.2 81.3 66.3 277 277 A P > - 0 0 34 0, 0.0 3,-1.5 0, 0.0 -1,-0.0 -0.185 21.3-113.5 -57.8 156.3 4.2 80.0 68.2 278 278 A K T 3 S+ 0 0 209 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.784 119.0 52.8 -62.7 -28.4 3.6 76.2 67.9 279 279 A D T 3 S+ 0 0 146 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.379 84.2 118.7 -87.4 -0.4 0.3 76.9 66.0 280 280 A A S < S- 0 0 21 -3,-1.5 -4,-0.1 1,-0.1 -151,-0.0 -0.342 76.7 -95.9 -65.2 147.2 2.1 79.1 63.5 281 281 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.265 45.7 -98.7 -63.4 155.0 2.0 77.9 59.9 282 282 A S - 0 0 94 1,-0.2 -156,-0.1 -3,-0.1 -3,-0.0 -0.254 56.2 -74.1 -66.2 162.4 5.0 75.9 58.6 283 283 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.333 50.9-124.2 -61.1 140.6 7.7 77.7 56.6 284 284 A F B -C 126 0C 21 -158,-3.4 -158,-2.9 -3,-0.1 2,-0.6 -0.701 15.7-159.4 -87.6 138.6 6.6 78.6 53.1 285 285 A I - 0 0 88 -2,-0.3 2,-0.2 -160,-0.2 -162,-0.0 -0.953 19.7-150.5-118.6 103.4 8.7 77.4 50.1 286 286 A F - 0 0 0 -2,-0.6 2,-0.2 -162,-0.3 -162,-0.1 -0.525 9.0-124.9 -79.6 143.1 7.8 79.6 47.2 287 287 A K - 0 0 106 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.569 28.3-117.2 -82.7 147.6 8.0 78.5 43.6 288 288 A T > - 0 0 15 -2,-0.2 4,-1.8 1,-0.1 6,-0.2 -0.395 25.7-108.3 -79.0 165.0 10.1 80.6 41.2 289 289 A L H >>S+ 0 0 0 1,-0.2 5,-2.8 2,-0.2 4,-0.7 0.941 123.3 53.9 -58.1 -42.1 8.6 82.4 38.2 290 290 A E H >45S+ 0 0 165 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.871 106.4 49.6 -60.5 -42.8 10.2 79.8 36.0 291 291 A E H 345S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.819 112.9 48.3 -67.9 -29.1 8.6 76.9 38.0 292 292 A Q H 3<5S- 0 0 59 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.497 112.8-119.7 -87.3 -5.8 5.2 78.6 37.6 293 293 A G T <<5 0 0 67 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.753 360.0 360.0 72.0 21.4 5.8 79.2 33.9 294 294 A L < 0 0 104 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.510 360.0 360.0 -95.5 360.0 5.5 82.9 34.5