==== 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 METAL BINDING PROTEIN 26-FEB-03 1OMR . COMPND 2 MOLECULE: RECOVERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR O.H.WEIERGRABER,J.GRANZIN . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.0 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 . 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 2 1 2 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A G > 0 0 43 0, 0.0 3,-1.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 40.5 57.0 29.1 21.3 2 3 A N T 3 - 0 0 132 1,-0.3 4,-0.0 4,-0.1 0, 0.0 -0.058 360.0 -70.6 81.7 -28.9 58.5 32.5 20.6 3 4 A S T 3 S+ 0 0 126 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.058 140.9 55.4 130.6 -18.3 59.9 30.6 17.6 4 5 A K S < S- 0 0 189 -3,-1.2 -2,-0.1 1,-0.2 0, 0.0 -0.370 125.2 -70.7-135.4 52.3 62.4 28.6 19.7 5 6 A S S S+ 0 0 88 1,-0.0 -1,-0.2 2,-0.0 0, 0.0 0.721 93.6 98.9 64.7 128.7 60.0 26.9 22.3 6 7 A G > + 0 0 2 -3,-0.1 3,-1.4 -4,-0.0 -4,-0.1 0.274 40.8 109.3 151.0 -13.8 58.3 28.9 25.0 7 8 A A T >> + 0 0 39 1,-0.3 4,-0.7 2,-0.2 3,-0.6 0.163 55.6 95.5 -74.2 19.7 54.7 29.6 24.0 8 9 A L H 3> S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.596 72.2 69.1 -82.7 -12.1 53.6 27.1 26.5 9 10 A S H <> S+ 0 0 1 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.627 90.6 59.6 -78.4 -16.4 53.1 30.1 28.8 10 11 A K H <> S+ 0 0 96 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.908 104.2 48.6 -77.3 -44.8 50.2 31.3 26.6 11 12 A E H X S+ 0 0 88 -4,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.906 112.2 50.9 -59.4 -42.1 48.2 28.1 27.3 12 13 A I H X S+ 0 0 0 -4,-1.3 4,-1.0 2,-0.2 5,-0.2 0.915 111.0 46.2 -61.9 -48.9 49.0 28.5 31.0 13 14 A L H X S+ 0 0 43 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.871 113.6 50.8 -62.4 -39.1 47.8 32.2 31.1 14 15 A E H < S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.946 113.1 43.2 -64.1 -50.2 44.7 31.2 29.2 15 16 A E H < S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.594 127.1 32.6 -73.6 -10.5 43.8 28.3 31.5 16 17 A L H >< S+ 0 0 9 -4,-1.0 3,-1.6 -5,-0.2 -2,-0.2 0.653 84.6 175.1-115.8 -28.1 44.6 30.3 34.6 17 18 A Q G >< S- 0 0 128 -4,-3.2 3,-2.6 1,-0.3 -1,-0.1 -0.196 71.2 -4.6 57.0-142.4 43.6 33.8 33.6 18 19 A L G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.710 124.2 77.2 -55.3 -20.2 43.8 36.6 36.2 19 20 A N G < S+ 0 0 19 -3,-1.6 -1,-0.3 -6,-0.1 -2,-0.2 0.654 72.6 107.3 -63.8 -19.1 44.7 33.8 38.7 20 21 A T < - 0 0 30 -3,-2.6 75,-0.0 -7,-0.2 -7,-0.0 -0.309 54.7-163.8 -63.2 146.2 48.2 33.8 37.2 21 22 A K S S+ 0 0 118 2,-0.1 2,-0.3 73,-0.0 -1,-0.1 0.131 72.8 64.8-112.8 10.8 51.0 35.2 39.4 22 23 A F S S- 0 0 65 4,-0.0 2,-0.2 -9,-0.0 -2,-0.1 -0.973 71.1-135.8-140.3 152.5 53.2 35.4 36.3 23 24 A T > - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.509 42.8-102.7 -92.4 168.5 53.5 37.2 32.9 24 25 A E H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.848 122.0 53.9 -65.5 -32.5 54.4 35.1 29.9 25 26 A E H > S+ 0 0 148 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.891 111.0 45.3 -68.0 -37.7 58.0 36.3 29.9 26 27 A E H > S+ 0 0 87 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.871 110.5 53.9 -72.8 -36.8 58.4 35.3 33.6 27 28 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.902 107.8 51.2 -63.7 -39.2 56.8 31.9 32.9 28 29 A S H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.835 110.2 49.3 -66.3 -33.0 59.3 31.4 30.1 29 30 A S H X S+ 0 0 76 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.938 112.4 45.8 -70.5 -47.5 62.1 32.2 32.5 30 31 A W H X S+ 0 0 51 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.900 113.5 52.7 -59.3 -41.7 60.8 29.8 35.1 31 32 A Y H X S+ 0 0 27 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.919 106.1 51.6 -61.2 -45.0 60.4 27.4 32.2 32 33 A Q H X S+ 0 0 89 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.856 114.8 43.1 -60.7 -36.0 64.0 27.9 31.1 33 34 A S H X S+ 0 0 70 -4,-1.9 4,-1.3 2,-0.2 3,-0.4 0.882 110.7 56.2 -75.3 -39.4 65.1 27.1 34.7 34 35 A F H X S+ 0 0 11 -4,-3.0 4,-2.6 1,-0.2 3,-0.3 0.901 107.4 49.2 -56.4 -45.3 62.6 24.3 34.9 35 36 A L H < S+ 0 0 40 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.720 102.5 60.3 -69.6 -25.4 64.2 22.7 31.8 36 37 A K H < S+ 0 0 164 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.858 117.9 32.4 -70.1 -31.7 67.8 23.0 33.2 37 38 A E H < S+ 0 0 152 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.758 134.6 28.2 -93.5 -30.0 66.6 20.8 36.1 38 39 A C >< - 0 0 26 -4,-2.6 3,-2.5 -5,-0.2 -1,-0.2 -0.699 69.9-174.7-134.3 79.3 64.1 18.6 34.2 39 40 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.757 82.5 55.8 -42.8 -38.1 65.3 18.5 30.6 40 41 A S T 3 S- 0 0 85 2,-0.2 3,-0.1 1,-0.1 -5,-0.1 0.675 103.7-128.4 -75.3 -17.5 62.3 16.6 29.4 41 42 A G S < S+ 0 0 5 -3,-2.5 41,-0.7 1,-0.3 2,-0.3 0.647 75.6 108.2 77.8 12.4 59.9 19.2 30.7 42 43 A R E -A 81 0A 135 39,-0.2 2,-0.4 -4,-0.1 -1,-0.3 -0.910 52.4-159.3-122.2 150.2 58.0 16.5 32.5 43 44 A I E -A 80 0A 7 37,-2.2 37,-2.1 -2,-0.3 -5,-0.0 -0.996 12.6-136.6-134.3 130.2 57.8 15.7 36.2 44 45 A T E > -A 79 0A 48 -2,-0.4 4,-2.1 35,-0.2 35,-0.2 -0.216 27.9-107.8 -77.4 171.3 56.9 12.5 37.8 45 46 A R H > S+ 0 0 48 33,-0.6 4,-2.8 31,-0.3 5,-0.2 0.903 120.0 53.0 -67.0 -40.3 54.6 12.0 40.8 46 47 A Q H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 111.5 46.2 -60.7 -43.0 57.6 11.1 43.1 47 48 A E H > S+ 0 0 89 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.875 112.2 50.2 -67.7 -37.6 59.4 14.3 42.0 48 49 A F H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.6 0.917 108.2 53.8 -65.6 -43.0 56.3 16.4 42.5 49 50 A Q H 3X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.865 101.5 60.1 -57.8 -37.9 55.8 14.9 46.0 50 51 A T H 3X S+ 0 0 75 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.852 97.4 59.2 -61.6 -34.0 59.4 15.9 46.8 51 52 A I H < + 0 0 32 -4,-1.0 3,-1.6 -3,-0.2 -1,-0.2 -0.457 61.4 153.4-137.0 58.6 56.0 21.5 54.3 57 58 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 72.3 59.5 -61.0 -23.1 58.5 20.0 56.8 58 59 A E T 3 S+ 0 0 100 73,-0.1 2,-0.1 -3,-0.1 -2,-0.0 0.635 109.4 46.5 -82.6 -11.8 56.0 20.5 59.6 59 60 A A S < S- 0 0 23 -3,-1.6 72,-0.2 74,-0.1 -3,-0.1 -0.420 82.6-112.2-118.8-170.4 53.5 18.2 57.9 60 61 A D + 0 0 94 70,-2.3 3,-0.4 67,-0.1 4,-0.3 -0.737 42.7 165.1-127.2 76.7 53.0 14.9 56.1 61 62 A P > + 0 0 6 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.349 40.6 101.9 -77.0 0.4 52.2 16.0 52.5 62 63 A K H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 86.7 40.6 -54.6 -55.0 52.8 12.8 50.6 63 64 A A H > S+ 0 0 31 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.928 116.7 51.5 -60.3 -44.1 49.1 11.9 50.2 64 65 A Y H > S+ 0 0 5 63,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.932 110.1 47.4 -57.2 -52.3 48.2 15.5 49.5 65 66 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.894 111.1 52.9 -59.1 -40.4 50.8 15.9 46.8 66 67 A Q H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.900 109.9 46.9 -63.5 -41.0 49.7 12.6 45.2 67 68 A H H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.883 112.8 49.7 -68.0 -37.8 46.1 13.7 45.0 68 69 A V H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.931 111.2 49.2 -65.2 -45.6 47.0 17.1 43.6 69 70 A F H >< S+ 0 0 2 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.911 113.3 47.7 -59.1 -43.9 49.2 15.4 41.0 70 71 A R H >X S+ 0 0 55 -4,-2.3 4,-3.4 1,-0.2 3,-1.7 0.797 90.3 79.9 -69.6 -29.3 46.4 13.1 40.1 71 72 A S T 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.746 82.5 69.2 -50.9 -23.9 43.8 15.8 39.8 72 73 A F T <4 S- 0 0 38 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 0.126 134.6 -22.2 -86.1 24.8 45.2 16.5 36.4 73 74 A D T <4 S- 0 0 89 -3,-1.7 -2,-0.2 33,-0.1 -1,-0.1 0.417 86.9-101.3 149.5 12.3 43.8 13.2 35.0 74 75 A A S < S+ 0 0 42 -4,-3.4 2,-0.4 1,-0.2 -3,-0.1 0.821 83.8 125.0 50.0 37.4 43.2 10.7 37.9 75 76 A N - 0 0 70 -5,-0.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.991 46.2-169.3-130.4 127.9 46.4 8.9 37.1 76 77 A S S S+ 0 0 47 -2,-0.4 -31,-0.3 -3,-0.1 -1,-0.1 0.686 75.0 68.8 -84.4 -22.3 49.3 8.2 39.5 77 78 A D S S+ 0 0 126 -33,-0.1 -2,-0.1 -32,-0.1 0, 0.0 -0.127 86.2 32.4 -84.0-173.8 51.6 7.1 36.7 78 79 A G S S- 0 0 33 -34,-0.0 -33,-0.6 -36,-0.0 2,-0.3 -0.210 85.4 -80.6 67.8-153.7 53.1 9.3 34.1 79 80 A T E -A 44 0A 52 -35,-0.2 2,-0.4 -34,-0.1 -35,-0.2 -0.836 20.3-116.8-144.2 176.3 54.0 12.9 34.5 80 81 A L E -A 43 0A 1 -37,-2.1 -37,-2.2 -2,-0.3 2,-0.1 -0.898 30.6-135.2-114.9 148.1 52.8 16.5 34.6 81 82 A D E > -A 42 0A 31 -2,-0.4 4,-2.2 -39,-0.2 5,-0.2 -0.425 37.7 -90.0 -93.9 177.8 54.1 18.9 32.0 82 83 A F H > S+ 0 0 3 -41,-0.7 4,-2.6 1,-0.2 5,-0.2 0.886 126.0 55.4 -56.0 -40.8 55.3 22.4 32.9 83 84 A K H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.945 110.8 41.8 -58.8 -51.6 51.8 23.8 32.4 84 85 A E H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.829 113.5 54.6 -66.8 -31.9 50.1 21.4 34.8 85 86 A Y H X S+ 0 0 29 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.924 110.7 44.6 -68.1 -41.7 53.0 21.8 37.3 86 87 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.928 115.1 48.3 -67.9 -43.9 52.6 25.6 37.4 87 88 A I H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.893 109.1 54.1 -64.2 -37.0 48.8 25.3 37.6 88 89 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.909 108.0 48.5 -63.3 -43.2 49.1 22.8 40.4 89 90 A L H X S+ 0 0 38 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.878 111.2 52.0 -65.1 -35.5 51.3 25.1 42.5 90 91 A H H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.929 107.1 52.4 -66.0 -42.8 48.8 27.9 41.9 91 92 A M H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 117.2 37.5 -61.0 -38.8 45.9 25.7 43.1 92 93 A T H < S+ 0 0 1 -4,-1.9 98,-0.3 -5,-0.1 -1,-0.2 0.773 133.7 17.4 -85.6 -24.3 47.7 24.8 46.4 93 94 A S H < S+ 0 0 72 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.2 0.478 109.5 49.6-132.6 0.9 49.4 28.1 47.1 94 95 A A S < S+ 0 0 25 -4,-2.5 -1,-0.1 -5,-0.2 -75,-0.0 -0.976 79.7 10.8-144.9 157.7 48.1 31.2 45.3 95 96 A G S S- 0 0 21 -2,-0.3 2,-0.3 -77,-0.0 -76,-0.1 -0.110 87.7 -39.1 77.8-175.3 44.9 33.1 44.4 96 97 A K > - 0 0 144 1,-0.1 3,-1.2 3,-0.0 4,-0.1 -0.706 40.3-135.4 -95.1 140.8 41.3 32.9 45.5 97 98 A T G > S+ 0 0 11 -2,-0.3 3,-2.7 1,-0.2 4,-0.2 0.844 99.1 66.3 -58.5 -42.0 39.5 29.7 46.2 98 99 A N G 3 S+ 0 0 73 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.649 99.5 52.4 -59.4 -16.1 36.3 30.7 44.4 99 100 A Q G < S+ 0 0 90 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.398 106.7 55.6 -98.3 1.6 38.2 30.7 41.1 100 101 A K S <> S+ 0 0 5 -3,-2.7 4,-2.6 -4,-0.1 -2,-0.2 0.263 71.4 107.2-114.4 9.8 39.4 27.1 41.9 101 102 A L H > S+ 0 0 4 -3,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.810 78.0 51.1 -61.6 -35.1 36.1 25.4 42.4 102 103 A E H > S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.896 115.0 44.1 -68.4 -40.4 36.1 23.4 39.1 103 104 A W H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.885 108.1 58.9 -70.2 -38.1 39.6 22.2 39.9 104 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.881 102.4 54.3 -58.4 -38.0 38.5 21.5 43.5 105 106 A F H X S+ 0 0 8 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.942 107.2 49.7 -61.3 -46.1 35.9 19.1 42.1 106 107 A S H < S+ 0 0 56 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 109.6 52.8 -61.1 -33.6 38.5 17.2 40.1 107 108 A L H < S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.930 113.0 42.8 -67.0 -44.8 40.6 17.0 43.3 108 109 A Y H < S+ 0 0 2 -4,-2.4 2,-2.2 1,-0.2 9,-0.3 0.775 96.5 77.4 -74.0 -28.0 37.7 15.5 45.3 109 110 A D >< + 0 0 14 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 -0.513 66.0 176.4 -81.6 74.6 36.6 13.1 42.6 110 111 A V T 3 S+ 0 0 17 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.859 74.8 38.2 -49.0 -49.4 39.5 10.7 43.4 111 112 A D T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.556 103.6-130.1 -84.5 -3.8 38.6 7.9 40.9 112 113 A G < + 0 0 42 -3,-1.2 -2,-0.1 -6,-0.1 4,-0.1 0.740 62.0 138.6 65.1 26.2 37.5 10.5 38.3 113 114 A N S S- 0 0 92 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.242 78.7 -98.0 -86.2 14.5 34.2 8.8 37.6 114 115 A G S S+ 0 0 42 -5,-0.2 54,-0.4 1,-0.1 2,-0.3 0.308 96.5 63.5 92.7 -11.5 32.4 12.1 37.4 115 116 A T S S- 0 0 28 52,-0.1 2,-0.5 53,-0.1 -2,-0.3 -0.961 75.8-116.6-143.2 160.7 30.9 12.3 40.9 116 117 A I B -B 166 0B 1 50,-2.8 50,-2.6 -2,-0.3 2,-0.2 -0.855 25.5-158.4-103.1 130.5 32.2 12.5 44.5 117 118 A S > - 0 0 42 -2,-0.5 4,-1.9 -9,-0.3 3,-0.3 -0.605 32.0-108.1-100.7 166.5 31.5 9.8 47.0 118 119 A K H > S+ 0 0 56 44,-0.5 4,-1.8 46,-0.4 5,-0.1 0.886 119.8 51.9 -58.5 -42.5 31.5 10.0 50.7 119 120 A N H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.808 105.6 54.7 -66.2 -32.0 34.7 8.0 50.9 120 121 A E H > S+ 0 0 10 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.895 105.3 53.0 -70.2 -38.6 36.4 10.3 48.5 121 122 A V H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.946 110.9 47.7 -60.1 -44.8 35.6 13.3 50.6 122 123 A L H X S+ 0 0 54 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.904 109.7 52.7 -62.9 -41.2 37.2 11.5 53.6 123 124 A E H X S+ 0 0 90 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.936 116.3 38.7 -60.8 -45.9 40.3 10.6 51.6 124 125 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.927 114.5 52.5 -71.9 -45.4 40.9 14.2 50.5 125 126 A V H X S+ 0 0 3 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.894 111.3 49.7 -57.0 -38.2 39.9 15.7 53.8 126 127 A T H X S+ 0 0 31 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.927 109.5 49.8 -65.8 -46.1 42.4 13.4 55.5 127 128 A A H < S+ 0 0 2 -4,-1.9 -63,-0.4 1,-0.2 -2,-0.2 0.900 114.7 44.5 -59.4 -43.4 45.2 14.3 53.1 128 129 A I H >< S+ 0 0 6 -4,-2.7 3,-1.9 1,-0.2 4,-0.3 0.881 108.0 58.4 -68.2 -39.5 44.5 18.0 53.7 129 130 A F H >< S+ 0 0 39 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.909 99.7 58.5 -56.0 -42.5 44.3 17.4 57.4 130 131 A K T 3< S+ 0 0 85 -4,-2.1 -70,-2.3 1,-0.3 -1,-0.3 0.523 93.8 67.1 -65.9 -7.4 47.8 16.0 57.4 131 132 A M T < S+ 0 0 7 -3,-1.9 2,-0.5 -72,-0.2 -1,-0.3 0.535 84.1 88.1 -88.2 -9.8 49.0 19.3 55.9 132 133 A I S < S- 0 0 18 -3,-2.1 -72,-0.1 -4,-0.3 5,-0.1 -0.771 86.2-120.9 -89.8 128.7 48.2 21.0 59.3 133 134 A S >> - 0 0 18 -2,-0.5 3,-2.0 1,-0.1 4,-1.2 -0.454 22.8-116.7 -69.4 141.8 51.0 20.9 61.8 134 135 A P H 3> S+ 0 0 100 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.836 115.0 65.6 -44.1 -36.3 50.0 19.1 65.1 135 136 A E H 34 S+ 0 0 129 1,-0.2 3,-0.4 2,-0.1 4,-0.1 0.856 104.1 42.9 -56.9 -38.1 50.5 22.4 66.7 136 137 A D H X4 S+ 0 0 3 -3,-2.0 3,-2.0 1,-0.2 4,-0.4 0.749 92.7 77.4 -84.3 -24.8 47.6 24.0 64.9 137 138 A T H >< S+ 0 0 36 -4,-1.2 3,-0.9 1,-0.3 -1,-0.2 0.724 85.1 66.9 -59.0 -21.6 44.9 21.3 65.1 138 139 A K T 3< S+ 0 0 133 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 0.726 93.9 57.4 -72.0 -21.8 44.2 22.3 68.7 139 140 A H T < S+ 0 0 90 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.551 88.2 106.9 -83.0 -8.8 42.8 25.6 67.5 140 141 A L S < S- 0 0 17 -3,-0.9 5,-0.2 -4,-0.4 56,-0.1 -0.451 83.2 -97.3 -74.7 141.9 40.3 23.7 65.4 141 142 A P > - 0 0 44 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.192 32.5-117.3 -54.4 146.9 36.6 23.5 66.4 142 143 A E G > S+ 0 0 128 1,-0.3 3,-1.1 2,-0.2 7,-0.1 0.908 115.9 48.1 -53.5 -46.5 35.7 20.4 68.3 143 144 A D G 3 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 10,-0.1 0.315 119.9 39.2 -81.5 12.1 33.3 19.3 65.6 144 145 A E G < S+ 0 0 5 -3,-2.0 -1,-0.2 -4,-0.0 -2,-0.2 0.116 85.6 100.2-142.3 19.0 35.9 19.9 62.9 145 146 A N S < S+ 0 0 52 -3,-1.1 -2,-0.1 -4,-0.2 -3,-0.1 0.323 77.9 46.5 -95.7 8.4 39.1 18.7 64.6 146 147 A T S > S- 0 0 35 1,-0.1 4,-2.4 -4,-0.1 5,-0.2 -0.962 84.6-114.2-140.7 157.6 39.5 15.2 63.0 147 148 A P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.898 116.4 53.0 -58.1 -42.4 39.2 14.0 59.4 148 149 A E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.914 110.8 45.5 -58.9 -48.0 36.1 12.0 60.2 149 150 A K H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 115.7 45.8 -64.7 -45.4 34.3 14.9 61.8 150 151 A R H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.945 113.7 48.4 -63.3 -48.9 35.2 17.3 58.9 151 152 A A H X S+ 0 0 7 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.865 112.9 47.4 -61.5 -38.8 34.3 14.9 56.2 152 153 A E H X S+ 0 0 111 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.850 109.3 54.1 -73.4 -31.6 30.9 14.0 57.7 153 154 A K H X S+ 0 0 43 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 109.1 48.9 -66.6 -39.6 30.1 17.6 58.2 154 155 A I H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.926 112.0 48.2 -62.9 -46.3 30.8 18.3 54.5 155 156 A W H <>S+ 0 0 6 -4,-2.0 5,-2.1 1,-0.2 -2,-0.2 0.886 112.3 50.2 -62.5 -38.6 28.6 15.4 53.6 156 157 A G H ><5S+ 0 0 50 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.897 105.4 55.0 -67.2 -41.0 25.9 16.6 55.9 157 158 A F H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.7 50.7 -62.4 -28.1 26.0 20.1 54.5 158 159 A F T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.427 112.1-127.5 -88.0 3.2 25.4 18.6 51.1 159 160 A G T < 5 + 0 0 62 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.883 53.8 158.3 53.7 44.6 22.5 16.7 52.6 160 161 A K < - 0 0 40 -5,-2.1 2,-0.2 4,-0.1 -1,-0.2 -0.721 38.9-135.2-104.5 151.0 23.8 13.4 51.3 161 162 A K > - 0 0 148 -2,-0.3 3,-2.2 1,-0.1 -43,-0.1 -0.554 44.0 -90.5 -92.4 163.5 23.1 9.8 52.5 162 163 A D T 3 S+ 0 0 116 1,-0.3 -44,-0.5 -2,-0.2 -43,-0.2 0.828 124.7 34.1 -45.6 -42.5 26.0 7.4 52.8 163 164 A D T 3 S+ 0 0 145 -46,-0.1 -1,-0.3 -45,-0.1 2,-0.1 0.191 89.3 119.9-106.0 22.8 25.7 6.1 49.2 164 165 A D < - 0 0 55 -3,-2.2 2,-0.4 1,-0.0 -46,-0.4 -0.360 58.4-126.8 -78.9 163.8 24.7 9.2 47.4 165 166 A K - 0 0 135 -48,-0.1 2,-0.6 -2,-0.1 -48,-0.2 -0.935 13.3-142.7-113.6 132.9 26.8 10.8 44.6 166 167 A L B -B 116 0B 1 -50,-2.6 -50,-2.8 -2,-0.4 2,-0.1 -0.867 18.2-150.2-100.0 121.8 27.8 14.4 44.6 167 168 A T > - 0 0 65 -2,-0.6 4,-2.6 -52,-0.2 5,-0.1 -0.409 23.8-116.6 -87.1 164.2 27.8 16.2 41.2 168 169 A E H > S+ 0 0 88 -54,-0.4 4,-2.6 2,-0.2 5,-0.3 0.879 114.4 58.6 -65.5 -39.3 29.9 19.0 40.0 169 170 A K H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.953 113.3 37.3 -54.5 -52.7 26.9 21.2 39.7 170 171 A E H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.870 112.5 57.8 -70.2 -37.5 26.0 20.8 43.3 171 172 A F H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.932 110.9 43.8 -57.7 -45.9 29.6 20.9 44.5 172 173 A I H X S+ 0 0 51 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.906 113.4 50.5 -66.9 -42.8 30.0 24.3 42.9 173 174 A E H X S+ 0 0 92 -4,-2.0 4,-3.1 -5,-0.3 5,-0.3 0.947 115.6 42.7 -59.0 -49.3 26.7 25.6 44.2 174 175 A G H X S+ 0 0 13 -4,-3.0 4,-1.8 1,-0.2 8,-0.3 0.853 111.8 51.2 -68.3 -37.9 27.4 24.5 47.8 175 176 A T H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.781 118.1 41.2 -72.4 -23.4 31.0 25.7 47.9 176 177 A L H < S+ 0 0 75 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.915 123.7 34.7 -84.8 -50.8 29.9 29.1 46.6 177 178 A A H < S+ 0 0 84 -4,-3.1 2,-0.9 -5,-0.2 -3,-0.2 0.935 113.0 54.7 -72.9 -50.4 26.7 29.5 48.7 178 179 A N >X - 0 0 49 -4,-1.8 4,-1.7 -5,-0.3 3,-0.8 -0.771 62.3-168.3 -93.9 105.2 27.6 27.8 52.0 179 180 A K H 3> S+ 0 0 111 -2,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.658 86.1 62.5 -65.6 -15.7 30.7 29.3 53.4 180 181 A E H 3> S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.854 102.9 49.4 -76.6 -35.7 31.0 26.5 56.0 181 182 A I H <> S+ 0 0 4 -3,-0.8 4,-2.6 -7,-0.3 5,-0.3 0.939 110.8 51.1 -66.2 -44.0 31.3 24.0 53.2 182 183 A L H X S+ 0 0 29 -4,-1.7 4,-1.7 -8,-0.3 -2,-0.2 0.932 109.2 50.4 -55.6 -49.0 34.0 26.3 51.7 183 184 A R H < S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.3 43.4 -57.5 -39.9 35.8 26.4 55.1 184 185 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 115.5 44.7 -80.9 -30.4 35.7 22.6 55.4 185 186 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.683 81.6 133.5 -87.1 -14.9 36.7 21.7 51.8 186 187 A Q < - 0 0 18 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.0 -0.005 31.0-179.0 -38.3 123.8 39.5 24.3 51.8 187 188 A F + 0 0 0 -96,-0.1 -1,-0.1 5,-0.0 3,-0.1 0.518 48.6 99.6-109.4 -10.4 42.7 22.7 50.4 188 189 A E >> - 0 0 5 1,-0.2 4,-2.0 2,-0.0 3,-0.7 -0.715 65.4-147.2 -81.5 114.4 45.2 25.5 50.6 189 190 A P H 3> S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.849 95.5 51.1 -47.6 -44.6 47.3 24.8 53.7 190 191 A Q H 3> S+ 0 0 102 -98,-0.3 4,-2.9 1,-0.2 5,-0.2 0.872 110.2 50.2 -64.1 -37.3 47.9 28.4 54.5 191 192 A K H <> S+ 0 0 66 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.865 109.9 49.2 -69.8 -38.4 44.2 29.3 54.2 192 193 A V H X S+ 0 0 10 -4,-2.0 4,-1.4 2,-0.2 3,-0.4 0.962 115.5 45.7 -63.6 -48.1 43.2 26.4 56.5 193 194 A K H < S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.2 51.9 -59.2 -48.7 45.8 27.6 59.0 194 195 A E H < S+ 0 0 101 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.737 115.2 41.4 -65.5 -23.8 44.9 31.3 58.8 195 196 A K H >< S+ 0 0 62 -4,-1.3 3,-0.7 -3,-0.4 -1,-0.3 0.675 106.4 65.9 -91.3 -19.5 41.3 30.6 59.5 196 197 A L T 3< S+ 0 0 4 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.305 109.4 38.7 -80.1 5.1 42.4 28.1 62.1 197 198 A K T 3 S+ 0 0 91 -3,-0.3 -1,-0.3 -5,-0.1 2,-0.2 -0.341 114.9 43.8-154.5 58.8 43.8 31.1 64.1 198 199 A E < + 0 0 116 -3,-0.7 2,-0.3 2,-0.1 -3,-0.1 -0.723 58.1 95.4-166.4-145.6 41.4 33.9 63.7 199 200 A K S S- 0 0 94 -2,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.603 81.1 -53.5 79.3-132.5 37.6 34.4 63.8 200 201 A K 0 0 182 -2,-0.3 -2,-0.1 1,-0.0 0, 0.0 -0.962 360.0 360.0-145.1 161.0 36.2 35.5 67.2 201 202 A L 0 0 209 -2,-0.3 -2,-0.0 0, 0.0 -1,-0.0 0.694 360.0 360.0 -48.6 360.0 36.2 34.6 70.9