==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-06 2J5M . COMPND 2 MOLECULE: CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOXYPHIUM FUMAGO; . AUTHOR K.KUHNEL,E.DERAT,J.TERNER,S.SHAIK,I.SCHLICHTING . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 54.2 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 . 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 . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.1 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 2 0 0 1 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 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 2 0, 0.0 297,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.7 7.6 15.7 19.1 2 1 A E > - 0 0 85 14,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.258 360.0-121.4 -50.4 134.4 8.0 13.2 21.9 3 2 A P G > S+ 0 0 92 0, 0.0 3,-0.7 0, 0.0 12,-0.3 0.850 111.0 49.4 -51.5 -40.0 5.0 10.7 21.7 4 3 A G G 3 S+ 0 0 78 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.617 90.2 81.2 -75.3 -13.8 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 0.779 81.2-149.4 -64.6 -28.9 4.0 15.4 24.7 6 5 A G X + 0 0 40 -3,-0.7 3,-1.2 -4,-0.5 -1,-0.1 0.547 51.9 136.7 69.8 9.0 0.6 15.3 23.0 7 6 A I T 3 S+ 0 0 54 -5,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.843 72.2 44.8 -56.9 -36.8 1.7 18.3 20.9 8 7 A G T >> S+ 0 0 1 4,-0.2 4,-2.5 -5,-0.1 3,-1.7 0.622 93.5 158.6 -81.1 -13.6 0.2 16.7 17.7 9 8 A Y T <4 + 0 0 169 -3,-1.2 4,-0.1 1,-0.3 0, 0.0 -0.297 60.4 3.0 -66.2 140.1 -3.1 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 -0.892 134.5 48.3 -97.0 20.3 -5.8 15.1 18.1 11 10 A Y T <4 S+ 0 0 109 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.821 126.0 22.6 -87.6 -36.9 -4.5 15.6 14.5 12 11 A D < + 0 0 8 -4,-2.5 -1,-0.3 -6,-0.1 3,-0.3 -0.937 64.5 175.9-132.0 108.2 -1.4 13.4 14.9 13 12 A N S S+ 0 0 102 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.286 74.8 52.5 -94.5 7.5 -1.6 10.9 17.7 14 13 A N S S+ 0 0 126 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.387 72.9 165.3-143.0 59.8 1.7 9.2 17.0 15 14 A T - 0 0 5 -3,-0.3 -10,-0.1 -12,-0.3 -9,-0.1 -0.338 21.0-155.2 -79.8 157.8 4.5 11.8 16.9 16 15 A L - 0 0 77 -14,-0.2 -14,-0.2 -13,-0.1 25,-0.1 -0.957 29.1 -99.4-128.2 149.4 8.3 11.2 17.1 17 16 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.198 35.2-101.0 -70.4 157.5 10.8 13.8 18.3 18 17 A Y - 0 0 10 279,-2.3 2,-0.4 278,-0.2 21,-0.2 -0.625 38.2-175.5 -69.8 131.2 13.0 16.1 16.2 19 18 A V - 0 0 77 19,-2.3 21,-0.1 -2,-0.3 3,-0.1 -0.990 25.7-122.5-129.9 123.5 16.6 14.8 15.8 20 19 A A - 0 0 39 -2,-0.4 2,-0.2 275,-0.2 269,-0.1 -0.287 33.9-104.0 -60.5 144.3 19.2 16.9 14.0 21 20 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.517 33.9-135.2 -70.1 139.8 20.9 15.3 11.0 22 21 A G > - 0 0 24 -2,-0.2 3,-1.6 -3,-0.1 -3,-0.0 -0.422 31.7 -92.7 -86.8 169.6 24.4 14.1 11.6 23 22 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.741 126.0 44.9 -55.0 -29.4 27.4 14.6 9.1 24 23 A T T 3 S+ 0 0 108 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.502 90.0 108.3 -95.4 -6.5 26.8 11.2 7.4 25 24 A D < - 0 0 26 -3,-1.6 2,-0.5 262,-0.1 21,-0.2 -0.442 68.4-125.8 -73.2 144.5 23.0 11.6 7.1 26 25 A S - 0 0 1 19,-2.5 2,-0.3 -2,-0.1 -1,-0.1 -0.801 30.9-179.8 -93.1 127.4 21.4 12.2 3.7 27 26 A R - 0 0 0 -2,-0.5 71,-0.1 68,-0.1 103,-0.1 -0.850 15.8-130.1-124.6 165.2 19.1 15.2 3.3 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.447 25.5-114.6-105.7 170.8 17.1 16.6 0.4 29 28 A P S S+ 0 0 27 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.330 94.9 95.0 -79.7 5.3 16.6 20.0 -1.3 30 29 A C > - 0 0 40 1,-0.1 4,-2.0 65,-0.1 -2,-0.3 -0.874 64.7-157.0-105.0 123.7 13.0 19.6 0.0 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.804 96.1 53.0 -66.3 -29.0 11.9 21.2 3.3 32 31 A A H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.959 110.8 43.3 -70.1 -53.0 9.1 18.6 3.6 33 32 A L H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.871 113.8 53.3 -60.4 -38.0 11.2 15.5 3.2 34 33 A N H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.906 108.6 48.6 -65.0 -41.7 13.9 17.0 5.5 35 34 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.915 112.9 48.5 -61.4 -44.8 11.3 17.6 8.2 36 35 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-0.9 0.924 113.4 46.5 -61.8 -45.5 10.0 14.0 7.9 37 36 A A H ><5S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.872 107.1 57.4 -66.0 -38.3 13.5 12.6 8.0 38 37 A N H 3<5S+ 0 0 1 -4,-2.5 -19,-2.3 1,-0.3 -1,-0.2 0.789 112.3 42.7 -61.9 -27.4 14.4 14.7 11.0 39 38 A H T 3<5S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.440 113.3-119.0 -96.2 -3.5 11.4 13.1 12.8 40 39 A G T < 5S+ 0 0 35 -3,-0.9 -3,-0.2 -4,-0.4 4,-0.2 0.644 78.1 127.2 73.1 14.9 12.2 9.6 11.5 41 40 A Y S - 0 0 41 0, 0.0 3,-1.8 0, 0.0 -3,-0.1 -0.081 42.9-137.2 -45.8 131.9 14.5 7.0 7.7 44 43 A H T 3 S+ 0 0 52 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.779 105.9 56.0 -61.5 -27.7 16.6 9.5 9.8 45 44 A D T 3 S- 0 0 68 2,-0.2 -19,-2.5 -20,-0.1 -1,-0.3 0.522 109.5-127.2 -81.3 -4.6 19.7 8.6 7.6 46 45 A G < + 0 0 0 -3,-1.8 49,-1.5 1,-0.2 2,-0.3 0.747 67.0 122.3 66.8 28.2 17.7 9.6 4.5 47 46 A R E +A 94 0A 98 47,-0.2 47,-0.2 1,-0.2 -1,-0.2 -0.894 56.9 12.0-125.5 149.8 18.4 6.3 2.8 48 47 A A E S+ 0 0 62 45,-1.5 2,-0.5 44,-0.7 45,-0.2 0.942 73.5 177.3 57.4 63.8 16.5 3.4 1.3 49 48 A I E -A 92 0A 0 43,-1.8 43,-3.0 -3,-0.2 -1,-0.2 -0.861 16.5-150.0-111.2 123.0 13.0 4.9 1.3 50 49 A S > - 0 0 29 -2,-0.5 4,-2.0 41,-0.2 5,-0.1 -0.462 25.9-115.2 -86.1 159.7 9.9 3.2 -0.1 51 50 A R H > S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 117.2 50.6 -56.1 -46.5 6.8 4.8 -1.7 52 51 A E H > S+ 0 0 120 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.879 105.9 55.8 -63.9 -38.6 4.6 3.6 1.1 53 52 A T H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 112.9 42.4 -54.8 -49.4 7.0 5.0 3.7 54 53 A L H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.925 113.9 51.0 -63.4 -46.9 6.7 8.4 2.1 55 54 A Q H X S+ 0 0 54 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.933 113.7 43.9 -57.4 -49.6 2.9 8.1 1.5 56 55 A N H X S+ 0 0 66 -4,-2.9 4,-2.7 2,-0.2 5,-0.4 0.881 112.5 53.1 -64.3 -40.1 2.2 7.2 5.2 57 56 A A H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.3 5,-0.3 0.937 113.3 42.2 -62.2 -48.3 4.6 9.9 6.5 58 57 A F H X S+ 0 0 19 -4,-2.6 6,-2.0 3,-0.2 4,-1.3 0.917 119.6 43.7 -64.7 -44.2 2.9 12.7 4.5 59 58 A L H X S+ 0 0 65 -4,-2.4 4,-0.8 -5,-0.3 -2,-0.2 0.952 121.6 34.7 -67.2 -51.4 -0.6 11.5 5.3 60 59 A N H < S+ 0 0 86 -4,-2.7 -46,-0.2 -5,-0.2 -3,-0.2 0.748 131.0 27.7 -81.3 -25.1 -0.3 10.7 9.0 61 60 A H H < S+ 0 0 28 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.2 0.520 131.1 29.1-117.3 -9.3 2.2 13.4 10.1 62 61 A M H < S- 0 0 3 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.426 94.5-119.3-130.3 -2.7 1.6 16.3 7.6 63 62 A G < + 0 0 4 -4,-0.8 170,-2.7 -5,-0.3 2,-0.5 0.869 67.9 137.1 62.0 38.2 -2.0 16.1 6.5 64 63 A I B -b 233 0B 10 -6,-2.0 -1,-0.2 168,-0.3 -2,-0.1 -0.971 47.2-138.0-119.3 114.4 -1.0 15.6 2.9 65 64 A A >> - 0 0 6 168,-2.6 3,-1.3 -2,-0.5 4,-0.7 -0.234 24.5-105.3 -73.5 161.4 -2.9 12.9 1.0 66 65 A N G >4 S+ 0 0 68 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.825 116.4 64.1 -51.9 -39.5 -1.4 10.4 -1.4 67 66 A S G >4 S+ 0 0 24 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.814 94.9 60.2 -55.8 -35.6 -2.8 12.2 -4.4 68 67 A V G <4 S+ 0 0 6 -3,-1.3 4,-0.3 165,-0.3 -1,-0.2 0.839 112.7 35.9 -63.8 -35.6 -0.6 15.3 -3.6 69 68 A I G S+ 0 0 137 -3,-0.7 4,-1.7 -4,-0.5 -1,-0.1 0.931 90.9 34.9 -56.3 -52.0 1.7 10.9 -6.8 71 70 A L H > S+ 0 0 53 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.889 114.2 58.7 -69.9 -39.8 3.8 12.7 -9.4 72 71 A A H > S+ 0 0 25 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.891 106.9 48.4 -56.6 -40.9 6.5 13.6 -6.9 73 72 A L H X S+ 0 0 14 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.942 110.8 50.1 -63.9 -48.6 7.0 9.9 -6.2 74 73 A T H X S+ 0 0 61 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.944 114.8 44.1 -52.2 -51.8 7.2 9.1 -9.9 75 74 A N H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.832 107.6 58.5 -66.2 -36.2 9.8 11.9 -10.5 76 75 A A H X S+ 0 0 8 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.932 110.6 43.2 -57.5 -45.3 11.8 11.0 -7.4 77 76 A F H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 11,-0.3 0.808 110.3 55.0 -76.1 -28.7 12.3 7.5 -8.8 78 77 A V H X S+ 0 0 39 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.935 111.4 45.7 -63.1 -46.2 13.1 8.7 -12.3 79 78 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.885 109.1 56.3 -65.3 -39.2 15.8 10.9 -10.9 80 79 A a H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 6,-0.4 0.929 109.6 44.8 -57.3 -47.2 17.1 8.0 -8.8 81 80 A E H X S+ 0 0 92 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.913 114.5 49.7 -63.5 -43.4 17.5 5.9 -11.9 82 81 A Y H < S+ 0 0 23 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.924 116.5 40.5 -60.2 -48.6 19.2 8.8 -13.8 83 82 A V H < S+ 0 0 30 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.924 123.0 36.8 -68.8 -47.7 21.6 9.6 -11.0 84 83 A T H < S- 0 0 58 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.704 100.9-125.6 -82.9 -23.0 22.6 6.0 -9.9 85 84 A G S < S+ 0 0 66 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.396 80.2 70.2 90.8 -1.7 22.6 4.5 -13.4 86 85 A S S S- 0 0 76 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.977 94.0 -80.7-144.8 158.5 20.1 1.7 -12.4 87 86 A D - 0 0 115 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.347 31.1-155.8 -57.7 129.0 16.5 1.1 -11.5 88 87 A a > - 0 0 14 -11,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.375 19.8-162.3 -91.7 4.1 15.9 2.0 -7.9 89 88 A G T 3 - 0 0 38 1,-0.3 -1,-0.3 -12,-0.1 -8,-0.1 -0.282 64.4 -32.3 55.3-124.7 12.8 -0.3 -7.6 90 89 A D T 3 S+ 0 0 84 1,-0.1 2,-0.3 -40,-0.1 -1,-0.3 -0.216 123.3 86.1-119.2 39.1 10.8 0.8 -4.5 91 90 A S S < S- 0 0 55 -3,-2.3 2,-0.3 -41,-0.1 -41,-0.2 -0.791 70.4-147.1-139.2 91.8 13.8 1.8 -2.5 92 91 A L E -A 49 0A 2 -43,-3.0 -43,-1.8 -2,-0.3 -44,-0.7 -0.471 16.3-139.0 -60.5 118.6 14.9 5.4 -3.1 93 92 A V E - 0 0 67 -2,-0.3 -45,-1.5 -45,-0.2 2,-0.3 0.909 67.5 -33.6 -54.0 -52.8 18.7 5.2 -2.6 94 93 A N E -A 47 0A 35 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.1 -0.961 47.2-114.3-156.1 177.1 18.9 8.5 -0.7 95 94 A L S > S+ 0 0 0 -49,-1.5 3,-1.4 -2,-0.3 4,-0.2 0.773 105.1 69.1 -82.5 -30.5 17.4 12.0 -0.4 96 95 A T G > S+ 0 0 23 -50,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.856 87.6 63.9 -59.9 -39.6 20.6 13.8 -1.5 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.691 85.8 75.4 -59.4 -19.9 20.3 12.6 -5.1 98 97 A L G < S+ 0 0 10 -3,-1.4 7,-0.6 1,-0.3 -1,-0.3 0.646 81.7 70.4 -67.9 -13.1 17.1 14.6 -5.4 99 98 A A G < + 0 0 1 -3,-2.3 -1,-0.3 -4,-0.2 184,-0.2 0.174 65.0 135.8 -89.2 15.7 19.3 17.7 -5.6 100 99 A E X > - 0 0 0 -3,-1.5 5,-0.7 182,-0.1 3,-0.6 -0.540 60.8-117.3 -60.9 118.8 20.4 16.6 -9.1 101 100 A P T 3 5S+ 0 0 1 0, 0.0 179,-0.2 0, 0.0 5,-0.2 -0.190 86.8 16.8 -69.7 158.9 20.2 19.9 -11.0 102 101 A H T 3 5S+ 0 0 62 1,-0.1 4,-0.2 3,-0.1 2,-0.1 0.845 116.1 74.7 47.5 44.0 17.9 20.6 -13.9 103 102 A A T < 5S- 0 0 6 2,-2.1 -1,-0.1 -3,-0.6 -5,-0.1 0.062 120.5 -27.7-137.4-110.3 15.8 17.6 -13.0 104 103 A F T 5S+ 0 0 37 -4,-0.4 2,-0.1 -6,-0.1 -5,-0.1 0.910 132.1 68.1 -78.0 -52.2 13.4 17.6 -10.1 105 104 A E S - 0 0 0 -2,-0.1 3,-2.0 1,-0.1 12,-0.2 -0.527 29.4-109.8 -81.2 153.4 21.3 27.6 -7.7 115 114 A Y T 3 S+ 0 0 4 1,-0.3 11,-2.5 -2,-0.2 -1,-0.1 0.832 119.6 24.7 -49.5 -41.7 23.8 25.0 -8.8 116 115 A K T > S+ 0 0 22 9,-0.2 54,-2.4 54,-0.1 3,-0.9 -0.102 87.6 150.5-117.5 34.8 25.9 27.6 -10.7 117 116 A Q B < S-C 169 0C 14 -3,-2.0 52,-0.3 52,-0.2 48,-0.1 -0.561 76.4 -15.1 -72.4 120.2 24.9 30.7 -8.8 118 117 A G T 3 S+ 0 0 57 50,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.663 90.8 152.8 64.8 20.9 27.6 33.4 -8.7 119 118 A V < - 0 0 20 -3,-0.9 -1,-0.2 49,-0.2 -3,-0.0 -0.631 40.8-149.5 -83.9 141.4 30.4 31.0 -9.8 120 119 A A S S+ 0 0 88 -2,-0.3 2,-0.3 50,-0.1 -1,-0.1 0.742 79.7 53.5 -80.1 -25.8 33.3 32.6 -11.7 121 120 A N S > S- 0 0 100 1,-0.1 3,-1.0 49,-0.0 49,-0.1 -0.891 79.2-128.3-119.1 146.9 34.1 29.5 -13.8 122 121 A S T 3 S+ 0 0 62 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.794 106.7 47.3 -59.8 -36.8 31.8 27.4 -16.0 123 122 A N T 3 S+ 0 0 137 2,-0.0 -1,-0.2 -7,-0.0 2,-0.1 0.583 91.8 101.9 -85.1 -11.6 32.6 24.0 -14.5 124 123 A D < - 0 0 79 -3,-1.0 2,-0.3 -8,-0.1 -5,-0.1 -0.336 47.4-178.7 -74.9 153.2 32.2 25.1 -10.9 125 124 A F - 0 0 73 -9,-0.1 -9,-0.2 -2,-0.1 2,-0.2 -0.981 7.6-156.9-149.5 159.3 29.2 24.4 -8.8 126 125 A I - 0 0 52 -11,-2.5 2,-0.9 -2,-0.3 157,-0.2 -0.641 43.8 -59.1-128.7-178.5 27.9 25.1 -5.3 127 126 A D + 0 0 37 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.566 51.0 161.8 -69.9 102.6 25.4 23.8 -2.6 128 127 A N + 0 0 0 -2,-0.9 -1,-0.2 -29,-0.1 -13,-0.2 0.111 68.4 57.7-103.4 17.2 22.0 23.9 -4.3 129 128 A R S S+ 0 0 5 -15,-0.1 3,-0.1 2,-0.1 2,-0.1 0.784 83.2 76.4-117.7 -51.3 20.5 21.5 -1.7 130 129 A N S S- 0 0 13 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.363 91.3 -89.7 -72.4 147.8 20.8 22.9 1.8 131 130 A F - 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0 0 56 -54,-2.4 3,-2.6 1,-0.1 4,-0.6 -0.281 64.0 -82.3 -53.0 134.9 26.7 31.6 -14.6 171 170 A P T 34 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.158 117.2 15.3 -46.1 127.0 25.8 32.6 -18.2 172 171 A G T 34 S+ 0 0 85 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.154 104.5 91.7 94.9 -17.6 23.7 29.9 -19.9 173 172 A W T <4 + 0 0 18 -3,-2.6 -66,-0.1 -57,-0.1 -7,-0.1 0.934 55.4 97.4 -74.4 -49.5 22.9 28.0 -16.7 174 173 A F < + 0 0 30 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.143 46.9 176.4 -51.4 128.8 19.5 29.6 -15.7 175 174 A T - 0 0 71 83,-0.0 -68,-0.6 2,-0.0 -73,-0.1 -0.962 27.9-126.6-137.7 116.1 16.6 27.5 -16.8 176 175 A E - 0 0 56 -2,-0.4 -68,-0.1 1,-0.1 2,-0.0 -0.346 23.1-175.6 -64.5 141.9 13.0 28.6 -15.8 177 176 A S > + 0 0 18 -70,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.499 20.1 152.8-140.2 64.3 10.9 25.9 -14.1 178 177 A K H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 71.5 55.1 -63.1 -45.1 7.4 27.3 -13.5 179 178 A P H > S+ 0 0 40 0, 0.0 4,-1.0 0, 0.0 89,-0.3 0.924 115.5 36.6 -58.5 -47.0 5.6 24.0 -13.5 180 179 A I H >> S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.959 118.0 50.0 -69.9 -50.7 7.7 22.4 -10.8 181 180 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.870 111.0 48.6 -57.7 -39.8 8.1 25.5 -8.7 182 181 A N H 3X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.3 -1,-0.2 0.710 103.8 57.4 -85.8 -15.2 4.4 26.4 -8.6 183 182 A V H + 0 0 10 11,-3.3 3,-1.6 1,-0.2 11,-0.2 -0.546 43.2 177.6 -80.7 91.6 -4.2 29.8 7.7 195 194 A F T 3 S+ 0 0 39 -2,-1.4 -1,-0.2 1,-0.3 5,-0.2 0.563 73.9 73.7 -68.7 -9.2 -6.9 27.2 8.2 196 195 A N T 3 S+ 0 0 112 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.626 77.8 90.5 -79.7 -15.0 -8.2 29.2 11.1 197 196 A L S X S- 0 0 55 -3,-1.6 3,-1.4 8,-0.1 8,-0.0 -0.642 86.3-124.5 -80.1 141.7 -9.6 31.8 8.8 198 197 A P T 3 S+ 0 0 135 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.715 105.7 43.4 -61.6 -25.8 -13.3 31.1 7.7 199 198 A D T >> + 0 0 62 1,-0.2 4,-2.0 4,-0.1 3,-1.4 -0.066 67.8 136.3-113.1 30.4 -12.6 31.2 3.9 200 199 A N T <4 S+ 0 0 14 -3,-1.4 -1,-0.2 1,-0.3 -4,-0.1 0.777 73.4 50.8 -50.4 -33.0 -9.3 29.1 3.8 201 200 A D T 34 S+ 0 0 108 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.720 113.2 43.4 -82.7 -21.2 -10.5 27.1 0.8 202 201 A E T <4 S+ 0 0 146 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.928 136.8 4.7 -86.1 -54.8 -11.5 30.1 -1.4 203 202 A N S < S- 0 0 62 -4,-2.0 -1,-0.2 2,-0.0 -2,-0.2 -0.688 79.4-162.5-131.9 78.9 -8.6 32.5 -0.8 204 203 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -53,-0.2 -0.393 4.6-155.8 -65.0 137.3 -6.0 30.6 1.4 205 204 A L - 0 0 41 -11,-0.2 -11,-3.3 -55,-0.1 2,-0.3 -0.975 12.8-130.1-117.9 124.3 -3.4 33.0 3.0 206 205 A V E -DE 149 193D 0 -57,-2.2 -57,-1.5 -2,-0.5 2,-0.7 -0.532 15.0-132.0 -72.1 131.4 -0.0 31.7 4.1 207 206 A R E > -D 148 0D 49 -15,-2.4 4,-2.1 -2,-0.3 -59,-0.2 -0.808 14.1-153.1 -80.9 116.2 1.1 32.4 7.6 208 207 A I H > S+ 0 0 21 -61,-2.4 4,-3.0 -2,-0.7 5,-0.2 0.862 92.3 54.1 -62.4 -39.1 4.6 33.7 7.2 209 208 A D H > S+ 0 0 61 -62,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.897 109.5 48.8 -63.3 -40.2 5.8 32.7 10.7 210 209 A W H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 113.4 47.1 -60.3 -46.8 4.6 29.1 9.9 211 210 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 -19,-0.2 5,-0.2 0.931 112.9 48.4 -62.2 -47.1 6.4 29.1 6.6 212 211 A K H X S+ 0 0 96 -4,-3.0 4,-2.7 2,-0.2 5,-0.4 0.885 112.0 49.3 -62.4 -41.5 9.6 30.6 8.1 213 212 A Y H X S+ 0 0 33 -4,-2.3 4,-2.6 -5,-0.2 5,-0.5 0.959 112.6 47.0 -61.1 -53.9 9.6 28.0 10.9 214 213 A W H X S+ 0 0 11 -4,-2.4 4,-1.6 1,-0.2 5,-0.3 0.930 119.2 39.6 -54.4 -50.4 9.1 25.1 8.6 215 214 A F H < S+ 0 0 9 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.924 121.3 40.0 -70.0 -47.7 11.8 26.2 6.1 216 215 A T H < S+ 0 0 37 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.904 128.2 30.7 -69.8 -42.7 14.5 27.4 8.7 217 216 A N H < S- 0 0 25 -4,-2.6 73,-0.3 -5,-0.4 -3,-0.2 0.666 88.5-139.7 -93.1 -18.8 14.0 24.7 11.2 218 217 A E S < S+ 0 0 1 -4,-1.6 2,-0.3 -5,-0.5 -180,-0.2 0.935 74.9 93.1 47.9 47.9 13.0 21.7 9.0 219 218 A S S S- 0 0 0 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.885 86.0 -77.1-151.4 178.8 10.5 20.8 11.7 220 219 A F - 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