==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAR-06 2CJ1 . COMPND 2 MOLECULE: CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDARIOMYCES FUMAGO; . AUTHOR K.KUHNEL,W.BLANKENFELDT,J.TERNER,I.SCHLICHTING . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 53.5 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 . 11 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 0 2 0 1 0 1 1 0 1 0 0 1 1 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 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 0 A X 0 0 1 0, 0.0 297,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 168.8 7.5 15.8 19.1 2 1 A E > - 0 0 86 14,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.270 360.0-121.3 -51.8 137.8 8.0 13.3 21.9 3 2 A P G > S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 12,-0.2 0.881 110.2 51.7 -58.0 -34.8 5.0 10.9 21.7 4 3 A G G 3 S+ 0 0 82 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.628 90.2 80.1 -75.8 -12.4 3.9 11.6 25.3 5 4 A S G < S- 0 0 45 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.1 0.719 82.3-148.3 -66.7 -25.8 3.9 15.4 24.8 6 5 A G X + 0 0 38 -3,-1.0 3,-1.4 -4,-0.4 6,-0.1 0.518 51.7 137.4 65.8 7.5 0.6 15.4 23.0 7 6 A I T 3 S+ 0 0 57 -5,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.853 72.9 44.5 -54.8 -38.5 1.7 18.3 20.9 8 7 A G T >> S+ 0 0 1 -5,-0.1 4,-2.5 4,-0.1 3,-1.8 0.643 93.1 157.7 -79.7 -11.4 0.1 16.8 17.7 9 8 A Y T <4 + 0 0 167 -3,-1.4 4,-0.1 1,-0.3 0, 0.0 -0.341 60.8 4.1 -68.7 142.2 -3.2 15.7 19.4 10 9 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.898 134.1 48.4 -96.4 21.5 -5.8 15.2 18.1 11 10 A Y T <4 S+ 0 0 107 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.831 125.8 21.7 -87.0 -37.6 -4.5 15.7 14.6 12 11 A D < + 0 0 9 -4,-2.5 -1,-0.3 -6,-0.1 3,-0.3 -0.963 65.1 178.2-131.0 113.8 -1.5 13.5 14.9 13 12 A N S S+ 0 0 100 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.266 74.5 51.5 -99.0 8.9 -1.7 10.9 17.7 14 13 A N S S+ 0 0 124 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.392 72.3 166.2-147.9 64.6 1.7 9.2 17.1 15 14 A T - 0 0 6 -3,-0.3 -9,-0.1 -12,-0.2 -10,-0.1 -0.327 20.7-154.2 -83.6 158.9 4.4 11.8 16.9 16 15 A L - 0 0 77 -14,-0.2 -14,-0.2 -13,-0.1 25,-0.1 -0.947 29.2-100.3-128.0 151.3 8.2 11.3 17.0 17 16 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.262 34.6-100.1 -73.9 158.5 10.8 13.8 18.2 18 17 A Y - 0 0 10 279,-2.5 2,-0.4 278,-0.2 21,-0.2 -0.605 38.7-177.9 -67.5 133.9 13.0 16.1 16.1 19 18 A V - 0 0 76 19,-2.2 21,-0.1 -2,-0.3 3,-0.1 -0.990 27.2-121.4-134.8 125.6 16.5 14.8 15.8 20 19 A A - 0 0 38 -2,-0.4 2,-0.1 275,-0.2 269,-0.1 -0.331 33.8-102.8 -66.2 144.0 19.1 16.9 13.8 21 20 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.475 33.8-133.9 -65.5 137.9 20.7 15.2 10.8 22 21 A G > - 0 0 24 -2,-0.1 3,-1.7 -3,-0.1 -3,-0.0 -0.422 31.5 -95.5 -82.0 163.9 24.3 14.0 11.4 23 22 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 265,-0.0 0.759 125.4 46.4 -57.3 -24.6 27.1 14.6 8.9 24 23 A T T 3 S+ 0 0 109 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.572 89.9 106.1 -93.3 -11.2 26.7 11.2 7.2 25 24 A D S < S- 0 0 27 -3,-1.7 2,-0.5 262,-0.1 21,-0.2 -0.418 70.2-124.1 -68.7 146.1 22.8 11.5 6.9 26 25 A S - 0 0 2 19,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.784 31.1-179.8 -90.9 126.9 21.2 12.1 3.5 27 26 A R - 0 0 0 -2,-0.5 103,-0.1 68,-0.1 7,-0.0 -0.845 15.8-132.4-123.9 166.2 18.9 15.2 3.1 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.438 26.5-111.2-107.6 176.6 16.9 16.5 0.2 29 28 A P S S+ 0 0 27 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.287 95.6 95.2 -82.2 6.5 16.3 19.9 -1.5 30 29 A C > - 0 0 38 1,-0.1 4,-2.2 65,-0.1 -2,-0.3 -0.887 64.1-157.9-108.5 122.8 12.8 19.6 -0.1 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.781 96.3 53.7 -70.1 -25.6 11.8 21.2 3.3 32 31 A A H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.967 110.6 42.9 -71.3 -53.7 8.9 18.7 3.6 33 32 A L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 113.9 54.0 -58.2 -38.9 11.0 15.5 3.1 34 33 A N H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 107.9 48.0 -64.5 -41.5 13.7 17.0 5.4 35 34 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 6,-0.2 0.909 112.5 50.2 -62.4 -44.9 11.2 17.6 8.2 36 35 A L H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 6,-0.9 0.919 113.2 44.6 -58.6 -45.6 9.8 14.0 7.8 37 36 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.894 107.1 59.6 -68.6 -38.7 13.3 12.5 7.9 38 37 A N H 3<5S+ 0 0 1 -4,-2.5 -19,-2.2 1,-0.3 -1,-0.2 0.790 112.1 41.6 -57.9 -26.4 14.3 14.7 10.9 39 38 A H T 3<5S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.409 113.6-116.9-100.3 -1.5 11.4 13.1 12.8 40 39 A G T < 5S+ 0 0 34 -3,-1.3 -3,-0.2 -4,-0.3 4,-0.2 0.627 79.8 125.2 74.5 10.5 12.0 9.5 11.5 41 40 A Y S - 0 0 45 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.108 42.6-137.2 -45.6 129.7 14.4 7.0 7.6 44 43 A H T 3 S+ 0 0 52 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.817 106.2 55.9 -57.7 -28.7 16.4 9.5 9.7 45 44 A D T 3 S- 0 0 65 2,-0.2 -19,-2.6 -20,-0.1 -1,-0.3 0.520 109.0-127.4 -81.4 -2.8 19.5 8.6 7.5 46 45 A G < + 0 0 0 -3,-2.1 49,-1.5 1,-0.2 2,-0.3 0.773 66.5 121.5 64.7 30.7 17.5 9.6 4.4 47 46 A R E +A 94 0A 100 47,-0.2 47,-0.3 1,-0.2 -1,-0.2 -0.902 57.0 12.2-130.0 149.2 18.2 6.3 2.6 48 47 A A E S+ 0 0 60 45,-1.6 2,-0.5 44,-0.7 45,-0.2 0.940 73.8 178.7 59.5 65.0 16.2 3.3 1.1 49 48 A I E -A 92 0A 0 43,-1.7 43,-3.0 -3,-0.2 -1,-0.2 -0.883 16.1-149.3-113.6 122.0 12.7 4.9 1.1 50 49 A S > - 0 0 30 -2,-0.5 4,-2.0 41,-0.2 5,-0.2 -0.430 24.7-116.5 -86.1 161.0 9.6 3.1 -0.2 51 50 A R H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 116.2 50.4 -59.9 -44.6 6.6 4.8 -1.8 52 51 A E H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.888 106.7 55.4 -66.0 -35.9 4.3 3.6 1.1 53 52 A T H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 112.4 43.0 -58.2 -48.4 6.7 5.0 3.7 54 53 A L H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.928 113.9 50.7 -62.4 -47.8 6.4 8.4 2.0 55 54 A Q H X S+ 0 0 50 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.940 113.6 44.1 -56.8 -50.2 2.6 8.1 1.5 56 55 A N H X S+ 0 0 66 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.881 113.0 52.6 -60.8 -40.4 2.0 7.2 5.2 57 56 A A H X S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.3 5,-0.4 0.937 113.6 41.7 -64.8 -46.2 4.4 9.9 6.5 58 57 A F H X S+ 0 0 17 -4,-2.6 6,-2.2 3,-0.2 4,-1.3 0.922 120.0 44.0 -67.6 -40.5 2.8 12.7 4.5 59 58 A L H X S+ 0 0 63 -4,-2.4 4,-0.6 -5,-0.3 -2,-0.2 0.938 122.0 34.2 -72.4 -46.9 -0.8 11.5 5.3 60 59 A N H < S+ 0 0 85 -4,-2.9 -46,-0.2 -5,-0.2 -1,-0.2 0.756 130.2 28.8 -85.3 -23.9 -0.4 10.8 8.9 61 60 A H H < S+ 0 0 25 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.551 131.6 27.1-115.1 -12.4 2.1 13.4 10.0 62 61 A M H < S- 0 0 2 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.1 0.395 95.1-119.2-128.1 -1.0 1.5 16.4 7.6 63 62 A G < + 0 0 3 -4,-0.6 170,-2.6 -5,-0.3 2,-0.5 0.866 66.4 139.3 62.1 36.7 -2.2 16.1 6.5 64 63 A I B -b 233 0B 11 -6,-2.2 -1,-0.2 168,-0.2 -2,-0.1 -0.957 46.3-136.7-114.8 118.4 -1.2 15.6 2.9 65 64 A A >> - 0 0 5 168,-2.7 3,-1.2 -2,-0.5 4,-0.6 -0.253 22.8-107.5 -76.0 162.9 -3.2 13.0 1.0 66 65 A N H >> S+ 0 0 68 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.857 115.7 64.2 -55.3 -41.1 -1.8 10.4 -1.4 67 66 A S H >4 S+ 0 0 27 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.840 95.7 60.6 -52.2 -34.4 -3.2 12.2 -4.4 68 67 A V H <4 S+ 0 0 7 -3,-1.2 4,-0.3 165,-0.3 -1,-0.2 0.829 111.9 35.1 -64.7 -36.5 -0.9 15.2 -3.7 69 68 A I H S+ 0 0 53 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.885 114.4 57.7 -68.7 -39.3 3.4 12.7 -9.5 72 71 A A H > S+ 0 0 25 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.901 107.0 48.6 -56.6 -42.7 6.1 13.6 -7.0 73 72 A L H X S+ 0 0 15 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.943 110.7 50.7 -63.6 -48.5 6.7 9.9 -6.3 74 73 A T H X S+ 0 0 63 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.943 114.0 44.4 -52.3 -50.0 6.8 9.1 -10.0 75 74 A N H X S+ 0 0 7 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.869 108.2 57.2 -66.1 -38.1 9.4 11.9 -10.6 76 75 A A H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.917 111.2 43.9 -55.6 -46.5 11.5 10.9 -7.5 77 76 A F H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 11,-0.3 0.843 110.4 53.5 -73.8 -31.3 11.9 7.4 -8.9 78 77 A V H X S+ 0 0 39 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.922 112.7 46.2 -63.3 -44.8 12.6 8.6 -12.5 79 78 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.894 108.4 55.3 -66.8 -40.0 15.4 10.8 -11.0 80 79 A a H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 6,-0.4 0.922 110.5 45.8 -57.3 -45.5 16.7 8.0 -8.9 81 80 A E H X S+ 0 0 91 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.929 113.7 49.5 -63.6 -45.1 17.1 5.8 -12.0 82 81 A Y H < S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 116.3 40.8 -57.8 -51.3 18.7 8.7 -14.0 83 82 A V H < S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.907 123.3 36.3 -66.1 -47.2 21.3 9.6 -11.2 84 83 A T H < S- 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.677 101.5-125.5 -85.4 -22.8 22.2 6.0 -10.2 85 84 A G S < S+ 0 0 64 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.436 79.1 70.3 89.6 2.3 22.0 4.4 -13.6 86 85 A S S S- 0 0 76 -6,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 -0.989 93.7 -80.7-148.5 157.9 19.6 1.6 -12.7 87 86 A D - 0 0 117 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.301 32.2-155.1 -55.2 131.2 16.0 1.1 -11.8 88 87 A a > - 0 0 14 -11,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.366 19.3-162.0 -95.2 4.0 15.5 1.9 -8.1 89 88 A G T 3 - 0 0 40 1,-0.3 -1,-0.3 -12,-0.1 -8,-0.1 -0.269 64.1 -31.7 56.2-125.4 12.4 -0.3 -7.7 90 89 A D T 3 S+ 0 0 83 1,-0.1 2,-0.3 -40,-0.1 -1,-0.3 -0.163 122.4 85.7-118.2 38.5 10.5 0.7 -4.6 91 90 A S S < S- 0 0 55 -3,-2.2 2,-0.3 -41,-0.1 -41,-0.2 -0.798 70.1-146.6-138.8 92.7 13.6 1.8 -2.6 92 91 A L E -A 49 0A 3 -43,-3.0 -43,-1.7 -2,-0.3 -44,-0.7 -0.446 16.1-138.6 -60.8 121.3 14.6 5.4 -3.2 93 92 A V E - 0 0 71 -2,-0.3 -45,-1.6 -45,-0.2 2,-0.3 0.927 67.5 -34.9 -55.4 -51.9 18.4 5.2 -2.8 94 93 A N E -A 47 0A 35 -47,-0.3 -47,-0.2 -46,-0.1 -1,-0.2 -0.953 46.3-113.7-157.1 175.7 18.6 8.5 -0.9 95 94 A L S > S+ 0 0 1 -49,-1.5 3,-1.3 -2,-0.3 4,-0.2 0.740 105.0 69.5 -79.0 -32.4 17.1 12.0 -0.5 96 95 A T G > S+ 0 0 23 -50,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.886 88.3 62.3 -59.6 -39.5 20.3 13.7 -1.7 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.697 85.5 76.5 -62.7 -19.3 20.0 12.6 -5.4 98 97 A L G < S+ 0 0 12 -3,-1.3 7,-0.6 1,-0.3 -1,-0.3 0.641 81.8 69.3 -65.7 -14.5 16.8 14.5 -5.6 99 98 A A G < + 0 0 1 -3,-2.4 -1,-0.3 -4,-0.2 184,-0.2 0.238 65.2 135.8 -88.3 13.3 19.0 17.7 -5.8 100 99 A E < > - 0 0 0 -3,-1.8 5,-0.7 182,-0.1 3,-0.5 -0.481 60.8-118.5 -55.2 119.3 20.1 16.5 -9.3 101 100 A P T 5S+ 0 0 0 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.219 85.7 18.0 -72.3 160.1 19.9 19.9 -11.2 102 101 A H T 5S+ 0 0 61 1,-0.1 4,-0.2 3,-0.1 2,-0.1 0.869 116.5 74.4 50.3 45.1 17.6 20.6 -14.2 103 102 A A T 5S- 0 0 7 2,-2.3 -1,-0.1 -3,-0.5 -5,-0.1 0.056 120.9 -27.3-143.0-109.7 15.5 17.6 -13.3 104 103 A F T 5S+ 0 0 40 -4,-0.4 -5,-0.1 -6,-0.1 -2,-0.1 0.897 131.9 67.4 -82.5 -51.2 13.1 17.5 -10.3 105 104 A E S - 0 0 0 1,-0.1 3,-1.8 -2,-0.1 12,-0.2 -0.496 29.7-109.8 -80.9 155.9 21.0 27.6 -8.0 115 114 A Y T 3 S+ 0 0 5 1,-0.3 11,-2.0 -2,-0.2 -1,-0.1 0.855 119.9 23.8 -54.2 -38.2 23.5 24.9 -9.1 116 115 A K T > S+ 0 0 22 9,-0.2 54,-2.4 54,-0.1 3,-1.1 -0.022 87.7 150.4-118.4 31.5 25.5 27.5 -10.9 117 116 A Q B < S-C 169 0C 21 -3,-1.8 52,-0.3 1,-0.3 48,-0.1 -0.507 76.9 -14.5 -69.1 121.4 24.5 30.6 -9.0 118 117 A G T 3 S+ 0 0 59 50,-2.7 2,-0.3 -2,-0.4 -1,-0.3 0.692 90.2 155.5 64.3 23.4 27.2 33.3 -8.9 119 118 A V < - 0 0 17 -3,-1.1 -1,-0.2 49,-0.2 -3,-0.0 -0.658 40.0-148.7 -86.8 140.1 30.0 31.0 -10.1 120 119 A A S S+ 0 0 86 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.771 81.1 50.0 -75.4 -29.9 33.0 32.6 -11.8 121 120 A N S > S- 0 0 105 1,-0.1 3,-1.6 49,-0.0 49,-0.1 -0.920 80.2-126.7-120.4 143.9 33.7 29.5 -14.0 122 121 A S T 3 S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.723 109.0 48.8 -54.2 -30.5 31.4 27.5 -16.3 123 122 A N T 3 S+ 0 0 138 2,-0.0 -1,-0.3 -7,-0.0 -3,-0.0 0.609 89.3 103.4 -88.9 -14.2 32.3 24.2 -14.7 124 123 A D < - 0 0 68 -3,-1.6 2,-0.3 -8,-0.1 -5,-0.1 -0.230 46.7-177.7 -62.6 155.3 31.9 25.3 -11.1 125 124 A F - 0 0 73 -9,-0.1 2,-0.2 157,-0.0 -9,-0.2 -0.973 5.1-161.8-149.3 161.3 28.8 24.2 -9.1 126 125 A I - 0 0 53 -11,-2.0 2,-1.0 -2,-0.3 157,-0.2 -0.718 43.2 -59.7-133.4-178.8 27.6 25.0 -5.6 127 126 A D + 0 0 36 -2,-0.2 -14,-0.6 1,-0.2 155,-0.0 -0.530 50.5 162.2 -72.2 100.2 25.2 23.7 -2.9 128 127 A N + 0 0 1 -2,-1.0 -1,-0.2 -29,-0.1 -13,-0.1 0.105 68.7 60.0 -99.8 16.5 21.7 23.9 -4.6 129 128 A R S S+ 0 0 5 -15,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.818 81.7 73.9-113.4 -51.4 20.3 21.5 -1.9 130 129 A N S S- 0 0 14 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.363 91.7 -88.8 -71.6 148.7 20.6 22.8 1.6 131 130 A F - 0 0 15 -19,-0.1 2,-0.5 84,-0.1 -19,-0.2 -0.318 40.7-156.5 -50.6 131.9 18.4 25.6 3.1 132 131 A D > - 0 0 40 -21,-3.2 4,-2.5 1,-0.1 5,-0.2 -0.951 8.6-159.4-120.7 110.8 20.0 29.0 2.4 133 132 A A H > S+ 0 0 63 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.888 92.4 51.3 -55.4 -41.6 18.9 31.7 4.8 134 133 A E H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 111.2 47.4 -63.1 -46.2 20.0 34.6 2.4 135 134 A T H >> S+ 0 0 1 1,-0.2 4,-1.0 -24,-0.2 3,-0.6 0.943 112.6 49.3 -60.8 -46.3 18.1 33.1 -0.5 136 135 A F H >X S+ 0 0 3 -4,-2.5 4,-2.4 -25,-0.4 3,-0.6 0.860 104.2 59.1 -62.2 -36.1 15.0 32.6 1.7 137 136 A Q H 3X S+ 0 0 81 -4,-2.3 4,-2.9 1,-0.2 -1,-0.3 0.870 98.1 60.3 -63.7 -31.0 15.2 36.2 2.9 138 137 A T H << S+ 0 0 18 -4,-1.4 4,-0.5 -3,-0.6 -1,-0.2 0.858 109.5 42.9 -66.1 -30.7 14.9 37.3 -0.7 139 138 A S H XX S+ 0 0 0 -4,-1.0 3,-0.8 -3,-0.6 4,-0.5 0.897 114.3 49.1 -74.4 -45.1 11.5 35.5 -0.8 140 139 A L H >< S+ 0 0 12 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.845 101.2 65.5 -64.0 -36.2 10.5 36.8 2.7 141 140 A D G >< S+ 0 0 96 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.736 90.3 64.2 -58.3 -32.1 11.4 40.4 1.7 142 141 A V G <4 S+ 0 0 48 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.831 113.0 35.3 -61.9 -31.2 8.7 40.5 -0.9 143 142 A V G X< S+ 0 0 3 -3,-1.3 3,-1.6 -4,-0.5 -1,-0.3 -0.047 87.2 154.7-113.8 30.6 6.2 40.2 1.9 144 143 A A T < + 0 0 69 -3,-1.3 3,-0.1 1,-0.2 -3,-0.1 -0.263 65.6 21.7 -59.0 141.0 8.1 42.2 4.6 145 144 A G T 3 S+ 0 0 92 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.456 103.6 107.8 81.5 3.0 5.9 43.7 7.3 146 145 A K < - 0 0 92 -3,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.759 54.2-160.9-113.0 153.8 3.0 41.2 6.7 147 146 A T S S+ 0 0 102 -2,-0.3 61,-2.5 1,-0.2 62,-0.5 0.651 82.4 23.5 -97.5 -25.2 1.7 38.3 8.7 148 147 A H E -D 207 0D 44 59,-0.2 2,-0.3 60,-0.1 59,-0.2 -0.917 64.3-162.0-136.7 158.5 -0.1 36.6 5.8 149 148 A F E -D 206 0D 1 57,-1.4 57,-2.3 -2,-0.3 2,-0.1 -0.990 7.1-146.2-145.0 157.7 0.0 36.6 2.0 150 149 A D > - 0 0 56 -2,-0.3 4,-2.4 55,-0.2 5,-0.2 -0.356 42.0 -79.7-111.7-173.6 -2.3 35.6 -0.8 151 150 A Y H > S+ 0 0 37 1,-0.2 4,-2.1 53,-0.2 5,-0.1 0.900 127.6 51.3 -56.0 -44.0 -2.0 34.1 -4.4 152 151 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 109.4 50.5 -61.5 -41.1 -1.0 37.5 -5.9 153 152 A D H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 108.7 51.8 -62.8 -44.2 1.8 37.9 -3.3 154 153 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.911 106.7 53.9 -60.7 -40.3 3.0 34.4 -4.0 155 154 A N H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.919 108.4 49.5 -59.9 -43.7 3.2 35.2 -7.8 156 155 A E H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.885 109.4 53.3 -61.0 -39.0 5.3 38.3 -6.9 157 156 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.952 109.5 45.5 -62.0 -51.2 7.6 36.1 -4.8 158 157 A R H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.871 112.5 53.2 -65.0 -31.8 8.3 33.6 -7.6 159 158 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.930 108.0 49.8 -66.8 -44.8 8.8 36.5 -10.0 160 159 A Q H X S+ 0 0 76 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.889 112.7 48.3 -55.4 -40.6 11.4 38.0 -7.7 161 160 A R H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 110.4 49.5 -73.1 -39.8 13.1 34.7 -7.5 162 161 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.915 112.6 49.8 -60.3 -44.9 13.1 34.1 -11.3 163 162 A S H X S+ 0 0 8 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.961 112.4 44.8 -57.2 -56.8 14.6 37.6 -11.7 164 163 A L H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.897 115.6 48.1 -56.5 -43.9 17.4 37.2 -9.2 165 164 A S H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.907 109.5 50.7 -66.3 -45.6 18.3 33.7 -10.5 166 165 A N H < S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 115.8 44.6 -62.7 -31.2 18.3 34.8 -14.2 167 166 A E H < S+ 0 0 113 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.864 120.8 37.0 -79.4 -34.5 20.6 37.7 -13.3 168 167 A L H < S+ 0 0 85 -4,-2.2 -50,-2.7 -5,-0.2 -49,-0.2 0.657 91.4 95.4 -97.4 -22.4 23.0 35.7 -11.0 169 168 A D B < S-C 117 0C 8 -4,-2.4 -52,-0.2 -52,-0.3 3,-0.1 -0.465 90.9 -85.9 -72.3 146.5 23.4 32.3 -12.6 170 169 A F >> - 0 0 56 -54,-2.4 3,-2.7 1,-0.1 4,-0.6 -0.200 65.0 -84.5 -43.5 131.2 26.3 31.5 -14.8 171 170 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.185 116.7 16.9 -49.4 128.9 25.3 32.6 -18.4 172 171 A G T 34 S+ 0 0 84 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.169 104.9 90.6 96.1 -17.6 23.3 29.9 -20.1 173 172 A W T <4 + 0 0 17 -3,-2.7 -66,-0.1 -57,-0.1 -7,-0.1 0.931 56.1 97.2 -76.0 -50.2 22.5 28.0 -16.9 174 173 A F < + 0 0 29 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.131 47.2 177.2 -51.4 128.0 19.2 29.5 -15.8 175 174 A T - 0 0 70 83,-0.0 -68,-0.6 2,-0.0 -73,-0.1 -0.972 27.9-124.8-135.7 119.8 16.2 27.5 -16.9 176 175 A E - 0 0 59 -2,-0.4 -68,-0.1 1,-0.1 83,-0.0 -0.349 24.2-177.1 -67.4 144.7 12.7 28.5 -16.0 177 176 A S > + 0 0 18 -70,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.417 20.1 151.7-140.3 60.3 10.6 25.9 -14.2 178 177 A K H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 71.9 54.7 -60.5 -45.5 7.1 27.4 -13.6 179 178 A P H > S+ 0 0 40 0, 0.0 4,-1.1 0, 0.0 89,-0.3 0.933 115.9 36.5 -60.1 -45.8 5.2 24.0 -13.6 180 179 A I H >> S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.959 118.4 49.7 -69.0 -51.5 7.3 22.4 -10.9 181 180 A Q H 3X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -3,-0.2 0.897 111.1 49.8 -56.0 -41.6 7.8 25.5 -8.8 182 181 A N H 3X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.745 102.4 57.7 -83.7 -13.5 4.1 26.3 -8.8 183 182 A V H + 0 0 10 11,-3.0 3,-1.7 1,-0.2 11,-0.2 -0.561 41.8 178.6 -81.5 93.1 -4.3 29.8 7.8 195 194 A F T 3 S+ 0 0 39 -2,-1.3 -1,-0.2 1,-0.3 5,-0.2 0.528 74.9 74.9 -68.1 -6.0 -7.1 27.2 8.3 196 195 A N T 3 S+ 0 0 111 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.554 77.8 88.9 -85.3 -6.9 -8.3 29.3 11.3 197 196 A L S X S- 0 0 55 -3,-1.7 3,-1.2 8,-0.1 8,-0.0 -0.709 86.9-123.3 -87.8 144.2 -9.8 31.9 8.9 198 197 A P T 3 S+ 0 0 137 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.735 106.8 41.4 -62.9 -28.0 -13.4 31.2 7.9 199 198 A D T 3> S+ 0 0 58 1,-0.2 4,-2.8 4,-0.1 -3,-0.1 -0.198 73.6 129.0-111.6 36.5 -12.8 31.1 4.1 200 199 A N T <4 S+ 0 0 8 -3,-1.2 -1,-0.2 1,-0.2 -5,-0.1 0.942 70.2 51.7 -59.4 -50.7 -9.5 29.2 4.0 201 200 A D T 4 S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.894 120.6 33.6 -57.7 -41.0 -10.5 26.6 1.4 202 201 A E T 4 S+ 0 0 161 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.827 136.2 19.0 -87.5 -30.5 -11.7 29.2 -1.1 203 202 A N S < S- 0 0 73 -4,-2.8 -1,-0.2 2,-0.0 -2,-0.2 -0.387 81.3-168.4-132.9 63.7 -9.2 32.1 -0.4 204 203 A P - 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