==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-APR-01 1IDQ . COMPND 2 MOLECULE: VANADIUM CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURVULARIA INAEQUALIS; . AUTHOR A.MESSERSCHMIDT,L.PRADE,R.WEVER . 574 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 3 0 1 0 0 1 0 0 0 0 2 2 0 4 0 1 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 V 0 0 120 0, 0.0 128,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 -25.1 2.4 -30.7 2 5 A T - 0 0 89 1,-0.0 2,-0.2 3,-0.0 131,-0.0 -0.589 360.0-135.7 -71.5 111.5 -24.0 -0.1 -28.1 3 6 A P - 0 0 61 0, 0.0 130,-0.1 0, 0.0 -1,-0.0 -0.472 23.6-110.2 -67.2 135.4 -26.3 0.5 -25.1 4 7 A I - 0 0 11 -2,-0.2 2,-0.7 1,-0.1 451,-0.1 -0.500 28.4-122.5 -68.4 130.6 -24.4 0.5 -21.8 5 8 A P - 0 0 40 0, 0.0 453,-0.3 0, 0.0 -1,-0.1 -0.710 30.7-154.4 -76.8 112.3 -25.3 -2.7 -19.7 6 9 A L - 0 0 39 -2,-0.7 3,-0.1 451,-0.1 2,-0.0 -0.700 15.5-115.7 -90.7 136.4 -26.6 -1.2 -16.4 7 10 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.350 41.1 -88.7 -69.5 155.1 -26.4 -3.3 -13.2 8 11 A K - 0 0 148 1,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.365 37.9-125.7 -63.8 139.6 -29.6 -4.4 -11.5 9 12 A I - 0 0 30 -2,-0.1 2,-1.4 2,-0.1 -1,-0.1 -0.688 17.3-125.9 -88.0 137.4 -31.1 -2.1 -8.9 10 13 A D S S+ 0 0 33 -2,-0.3 427,-0.3 427,-0.1 -1,-0.1 -0.681 71.0 102.9 -83.9 91.7 -31.8 -3.6 -5.5 11 14 A E S S- 0 0 40 -2,-1.4 -2,-0.1 425,-0.1 425,-0.0 -0.947 80.8 -83.7-168.5 145.2 -35.4 -2.8 -5.1 12 15 A P > - 0 0 39 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.311 34.2-134.3 -56.6 133.3 -38.8 -4.7 -5.4 13 16 A E G > S+ 0 0 185 1,-0.2 3,-0.8 2,-0.1 4,-0.0 0.770 98.3 73.1 -64.0 -20.6 -39.9 -4.8 -8.9 14 17 A E G > S+ 0 0 103 1,-0.2 3,-2.4 2,-0.1 4,-0.3 0.782 77.8 75.8 -63.2 -30.3 -43.4 -3.8 -7.9 15 18 A Y G X S+ 0 0 7 -3,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.883 90.1 57.2 -48.7 -45.7 -42.4 -0.1 -7.2 16 19 A N G < S+ 0 0 40 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.358 85.4 77.7 -73.0 6.8 -42.3 0.6 -10.9 17 20 A T G < S+ 0 0 62 -3,-2.4 2,-0.5 128,-0.1 -1,-0.3 0.595 81.8 79.0 -86.4 -12.3 -45.9 -0.4 -11.4 18 21 A N S <> S- 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 301,-0.1 -0.852 80.8-143.5 -93.6 127.1 -46.9 3.0 -9.9 19 22 A Y H > S+ 0 0 4 -2,-0.5 4,-1.4 300,-0.3 -1,-0.1 0.694 96.3 54.5 -69.2 -20.8 -46.5 5.7 -12.5 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.945 113.3 43.1 -74.8 -45.6 -45.2 8.4 -10.2 21 24 A L H > S+ 0 0 0 1,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.869 110.5 58.5 -66.3 -34.7 -42.4 6.1 -8.9 22 25 A F H X S+ 0 0 4 -4,-2.2 4,-1.8 -7,-0.2 -1,-0.2 0.898 106.3 45.6 -61.2 -45.5 -41.7 5.0 -12.5 23 26 A W H X S+ 0 0 4 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.844 110.2 54.3 -70.7 -26.3 -41.0 8.5 -13.7 24 27 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.915 107.5 52.9 -67.1 -42.8 -38.8 9.1 -10.6 25 28 A H H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.869 105.2 52.4 -58.9 -42.8 -36.9 5.9 -11.7 26 29 A V H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.924 109.2 51.4 -62.0 -40.2 -36.3 7.2 -15.2 27 30 A G H X S+ 0 0 2 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.888 110.6 47.5 -62.4 -41.8 -34.9 10.4 -13.6 28 31 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.819 109.8 53.6 -68.5 -32.6 -32.5 8.3 -11.5 29 32 A E H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.883 108.4 48.4 -69.1 -41.1 -31.5 6.2 -14.5 30 33 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.885 108.7 56.4 -66.7 -34.1 -30.6 9.4 -16.4 31 34 A N H X S+ 0 0 2 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.973 111.9 40.3 -60.6 -52.6 -28.6 10.5 -13.4 32 35 A R H X S+ 0 0 5 -4,-2.2 261,-0.7 1,-0.2 4,-0.6 0.878 115.6 51.6 -68.5 -34.7 -26.5 7.4 -13.3 33 36 A V H >X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 3,-1.2 0.923 106.7 51.5 -67.1 -46.9 -26.1 7.3 -17.1 34 37 A T H 3X>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.3 4,-1.6 0.824 109.0 52.7 -60.8 -31.3 -24.9 11.0 -17.5 35 38 A H H 3<5S+ 0 0 20 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.680 109.8 48.1 -76.0 -15.9 -22.3 10.4 -14.8 36 39 A T H <<5S+ 0 0 21 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.811 123.8 31.1 -88.4 -33.5 -21.0 7.3 -16.7 37 40 A V H <5S- 0 0 27 -4,-2.1 90,-0.3 -5,-0.1 93,-0.2 0.543 106.8-115.4-103.1 -9.7 -20.9 9.1 -20.1 38 41 A G T <5 + 0 0 42 -4,-1.6 89,-0.3 -5,-0.3 -3,-0.2 0.954 61.6 152.1 72.8 50.7 -20.1 12.7 -19.0 39 42 A G < - 0 0 4 -5,-2.0 3,-0.4 1,-0.2 72,-0.0 -0.038 47.0 -50.5 -97.4-157.3 -23.3 14.1 -20.2 40 43 A P S S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.235 110.3 28.8 -78.5 166.0 -25.3 17.1 -19.1 41 44 A L S S+ 0 0 30 1,-0.2 2,-0.2 -3,-0.1 9,-0.1 0.841 77.8 156.8 59.4 44.1 -26.3 18.0 -15.5 42 45 A T + 0 0 50 -3,-0.4 4,-0.3 -8,-0.1 -1,-0.2 -0.540 29.8 54.0 -93.3 162.8 -23.5 16.3 -13.7 43 46 A G S > S- 0 0 10 -2,-0.2 4,-1.5 3,-0.1 5,-0.2 -0.067 92.7 -76.9 98.1 159.0 -22.3 17.1 -10.2 44 47 A P H > S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.973 121.3 42.5 -60.8 -56.8 -24.2 17.3 -6.9 45 48 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 298,-0.1 0.902 118.7 40.7 -61.4 -46.5 -26.0 20.7 -7.2 46 49 A L H > S+ 0 0 14 -4,-0.3 4,-1.8 2,-0.2 -3,-0.1 0.820 111.2 57.1 -71.0 -28.0 -27.2 20.5 -10.8 47 50 A S H X S+ 0 0 1 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.849 108.3 48.6 -70.7 -28.4 -28.2 16.8 -10.6 48 51 A A H X S+ 0 0 1 -4,-1.6 4,-2.0 -5,-0.2 292,-0.3 0.908 107.2 55.0 -74.4 -40.0 -30.5 17.8 -7.7 49 52 A R H X S+ 0 0 4 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.862 102.8 57.4 -60.0 -37.8 -32.0 20.6 -9.7 50 53 A A H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.909 109.9 43.3 -59.1 -44.8 -32.9 18.2 -12.5 51 54 A L H X S+ 0 0 4 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.787 111.1 54.2 -73.9 -33.8 -34.9 16.1 -10.1 52 55 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 284,-0.3 -2,-0.2 0.925 111.1 46.5 -65.0 -40.6 -36.5 19.1 -8.5 53 56 A M H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.932 110.9 52.2 -68.3 -42.1 -37.7 20.3 -11.9 54 57 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.934 112.5 45.0 -58.8 -46.6 -39.0 16.8 -12.9 55 58 A H H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.735 109.0 53.9 -75.4 -19.2 -41.1 16.5 -9.7 56 59 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.3 5,-0.3 0.942 111.5 47.0 -75.9 -46.5 -42.5 20.1 -9.9 57 60 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.936 114.6 46.2 -58.7 -47.9 -43.7 19.4 -13.4 58 61 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.922 113.0 52.2 -59.5 -44.9 -45.2 16.0 -12.3 59 62 A H H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.940 112.2 42.0 -59.2 -53.1 -46.8 17.6 -9.3 60 63 A D H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.812 114.8 50.9 -71.1 -23.8 -48.6 20.4 -11.1 61 64 A A H >X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 3,-0.6 0.962 114.7 42.9 -74.4 -51.4 -49.7 18.2 -14.0 62 65 A Y H 3X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 3,-0.5 0.934 117.0 45.0 -58.5 -52.3 -51.2 15.6 -11.6 63 66 A F H 3< S+ 0 0 9 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.580 104.7 62.2 -73.1 -10.8 -52.8 18.0 -9.2 64 67 A S H << S+ 0 0 24 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.844 115.9 33.7 -78.0 -33.9 -54.3 20.2 -12.0 65 68 A I H < S+ 0 0 25 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.855 129.6 35.3 -86.9 -41.3 -56.3 17.1 -13.1 66 69 A C S < S- 0 0 43 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.701 92.9-147.9-114.7 76.9 -56.8 15.7 -9.6 67 70 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.069 10.0-136.3 -47.6 133.5 -57.2 18.9 -7.5 68 71 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.547 8.3-153.6 -89.7 166.6 -55.9 18.6 -3.9 69 72 A T S S+ 0 0 149 -2,-0.2 3,-0.0 3,-0.1 0, 0.0 0.744 87.7 50.4-110.7 -30.7 -57.7 19.9 -0.8 70 73 A D S S- 0 0 153 2,-0.0 2,-0.2 0, 0.0 -1,-0.0 0.735 123.6 -1.8 -82.9 -23.4 -54.9 20.6 1.7 71 74 A F S S- 0 0 46 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.825 71.3-117.8-150.7-173.0 -52.7 22.6 -0.6 72 75 A T - 0 0 104 492,-0.3 4,-0.1 -2,-0.2 -3,-0.1 -0.590 41.1 -69.6-127.0-175.9 -52.5 23.9 -4.2 73 76 A T - 0 0 21 -2,-0.2 -1,-0.2 2,-0.2 -13,-0.1 -0.345 45.5-117.4 -71.2 158.6 -50.4 23.6 -7.3 74 77 A F S S+ 0 0 10 -18,-0.2 2,-0.2 492,-0.1 -1,-0.1 0.920 102.7 32.8 -62.9 -49.7 -46.9 25.2 -7.1 75 78 A L S S- 0 0 5 491,-0.1 -2,-0.2 10,-0.0 10,-0.1 -0.559 87.5-129.5 -99.7 171.6 -47.8 27.6 -9.9 76 79 A S B > -a 85 0A 43 8,-1.2 10,-2.6 -2,-0.2 3,-0.7 -0.931 10.6-139.3-128.9 150.0 -51.3 29.0 -10.6 77 80 A P T 3 S+ 0 0 52 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.644 104.5 52.1 -76.6 -15.1 -53.5 29.2 -13.7 78 81 A D T 3 S+ 0 0 151 7,-0.0 7,-0.1 -3,-0.0 2,-0.1 0.238 75.6 126.5-107.7 10.2 -54.6 32.7 -12.6 79 82 A T < - 0 0 48 -3,-0.7 6,-0.0 5,-0.2 -4,-0.0 -0.389 55.2-141.7 -69.2 150.6 -51.2 34.5 -12.1 80 83 A E S S+ 0 0 91 -2,-0.1 2,-0.5 4,-0.0 -1,-0.1 0.863 83.1 84.0 -77.1 -40.0 -50.7 37.8 -13.9 81 84 A N S > S- 0 0 82 1,-0.2 3,-1.1 3,-0.1 4,-0.1 -0.548 71.6-151.5 -69.0 117.7 -47.0 37.0 -14.6 82 85 A A G > S+ 0 0 65 -2,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.784 92.7 62.9 -59.7 -29.3 -46.9 34.8 -17.7 83 86 A A G 3 S+ 0 0 44 1,-0.2 -1,-0.2 85,-0.1 86,-0.1 0.786 110.4 37.3 -66.9 -31.1 -43.6 33.2 -16.4 84 87 A Y G < S+ 0 0 31 -3,-1.1 -8,-1.2 2,-0.1 2,-0.6 0.143 90.1 122.4-107.1 18.3 -45.4 31.7 -13.4 85 88 A R B < -a 76 0A 112 -3,-1.0 -10,-0.0 -10,-0.1 -3,-0.0 -0.719 53.7-143.7 -92.1 116.7 -48.7 30.9 -15.2 86 89 A L - 0 0 4 -10,-2.6 -7,-0.1 -2,-0.6 76,-0.1 -0.545 22.5-115.0 -76.9 134.7 -49.8 27.3 -15.1 87 90 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 71,-0.0 -0.308 31.1-119.6 -64.2 153.7 -51.6 26.0 -18.3 88 91 A S - 0 0 68 1,-0.1 4,-0.1 -11,-0.1 -24,-0.0 -0.795 6.6-136.9-100.7 144.3 -55.3 25.0 -17.9 89 92 A P > - 0 0 36 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.866 22.4-170.0 -62.4 -45.1 -56.6 21.4 -18.5 90 93 A N T 3 S- 0 0 146 1,-0.3 3,-0.1 2,-0.0 -2,-0.0 0.932 79.2 -28.7 48.9 58.4 -59.7 22.3 -20.4 91 94 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 64,-0.0 2,-0.3 0.142 101.9 129.9 95.8 -27.1 -61.2 18.9 -20.4 92 95 A A < + 0 0 10 -3,-1.6 -1,-0.3 62,-0.2 -2,-0.0 -0.508 23.6 160.8 -62.0 124.8 -58.0 16.9 -20.3 93 96 A N + 0 0 129 -2,-0.3 2,-0.8 -3,-0.1 -1,-0.1 0.150 30.2 106.8-140.3 29.4 -58.5 14.4 -17.5 94 97 A D > - 0 0 72 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.880 41.3-174.8-110.3 98.5 -56.1 11.5 -17.7 95 98 A A H > S+ 0 0 7 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.820 81.8 59.1 -61.1 -34.7 -53.6 12.1 -14.9 96 99 A R H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 112.0 39.3 -61.9 -45.3 -51.5 9.1 -16.0 97 100 A Q H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.834 113.6 54.5 -75.3 -32.1 -51.0 10.6 -19.4 98 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 110.5 46.4 -66.9 -41.6 -50.6 14.2 -18.1 99 102 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.911 111.1 53.5 -66.9 -37.8 -47.8 13.0 -15.8 100 103 A A H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.909 110.1 46.7 -62.6 -42.8 -46.3 11.1 -18.7 101 104 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.901 114.1 47.2 -66.1 -43.1 -46.2 14.2 -20.9 102 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.960 115.8 44.2 -63.6 -49.4 -44.8 16.4 -18.1 103 106 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.938 116.6 45.9 -61.4 -50.0 -42.0 13.8 -17.2 104 107 A L H X S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.868 114.8 46.4 -62.3 -42.1 -41.1 13.0 -20.8 105 108 A K H X S+ 0 0 63 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.943 114.7 46.6 -68.0 -47.3 -41.0 16.7 -21.9 106 109 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.971 115.6 44.9 -58.6 -51.9 -39.0 17.8 -18.9 107 110 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.877 114.2 50.0 -63.1 -34.6 -36.4 15.0 -19.1 108 111 A S H X S+ 0 0 31 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.905 110.9 48.8 -69.8 -40.8 -36.1 15.4 -22.9 109 112 A S H < S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 115.4 45.7 -64.9 -38.6 -35.6 19.2 -22.5 110 113 A L H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.888 122.8 31.0 -72.1 -41.8 -32.9 18.6 -19.8 111 114 A Y H < S+ 0 0 8 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.439 92.4 107.6-102.7 3.6 -31.0 15.8 -21.5 112 115 A M S < S- 0 0 85 -4,-1.4 20,-0.0 -5,-0.1 19,-0.0 -0.437 81.9 -96.2 -82.0 154.7 -31.3 16.5 -25.2 113 116 A K - 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