==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 15-FEB-05 1WYN . COMPND 2 MOLECULE: CALPONIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 54.1 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 . 0 0.0 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 . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 1 1 0 0 1 0 0 0 1 1 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 134 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -99.6 -7.6 -2.2 -16.4 2 2 A S - 0 0 59 1,-0.2 3,-0.1 84,-0.1 84,-0.0 -0.680 360.0-168.3 -82.6 101.6 -6.5 -5.3 -14.6 3 3 A S - 0 0 90 -2,-1.0 126,-0.4 1,-0.2 2,-0.3 0.922 66.4 -29.4 -53.8 -48.3 -6.0 -7.9 -17.3 4 4 A G - 0 0 17 -3,-0.1 2,-0.3 125,-0.1 -1,-0.2 -0.987 51.5-162.9-166.9 161.9 -5.7 -10.7 -14.7 5 5 A S - 0 0 36 -2,-0.3 125,-0.2 1,-0.1 113,-0.1 -0.898 21.1-142.7-158.2 123.5 -4.6 -11.6 -11.2 6 6 A S - 0 0 109 -2,-0.3 -1,-0.1 111,-0.2 112,-0.1 0.913 49.1-128.1 -49.9 -48.9 -3.9 -14.9 -9.5 7 7 A G - 0 0 57 107,-0.1 2,-0.4 -3,-0.1 -1,-0.0 0.669 13.7-136.9 96.8 105.7 -5.4 -13.7 -6.3 8 8 A N - 0 0 71 106,-0.2 -1,-0.0 1,-0.1 106,-0.0 -0.795 18.5-179.1 -96.9 132.7 -3.7 -13.9 -2.9 9 9 A R + 0 0 219 -2,-0.4 2,-0.9 2,-0.1 -1,-0.1 -0.209 19.9 158.2-121.3 40.7 -5.6 -15.0 0.2 10 10 A L - 0 0 78 100,-0.1 3,-0.2 1,-0.1 -2,-0.1 -0.550 40.0-132.5 -70.8 103.7 -2.8 -14.7 2.8 11 11 A L - 0 0 144 -2,-0.9 -1,-0.1 1,-0.2 -2,-0.1 -0.248 44.5 -71.0 -57.2 141.1 -4.7 -14.5 6.1 12 12 A S S S+ 0 0 69 1,-0.0 2,-0.3 97,-0.0 -1,-0.2 0.002 79.8 141.3 -35.2 124.9 -3.4 -11.7 8.3 13 13 A K - 0 0 77 93,-0.5 2,-0.3 -3,-0.2 97,-0.3 -0.972 40.7-129.1-162.3 170.5 -0.0 -12.7 9.6 14 14 A Y + 0 0 111 -2,-0.3 92,-0.1 95,-0.1 93,-0.0 -0.969 17.7 178.2-133.2 148.0 3.5 -11.5 10.5 15 15 A D > - 0 0 32 -2,-0.3 4,-2.0 1,-0.1 -2,-0.0 -0.937 26.9-150.2-153.6 125.9 7.0 -12.7 9.6 16 16 A P T 4 S+ 0 0 112 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.564 105.0 47.0 -69.9 -7.8 10.4 -11.3 10.4 17 17 A Q T > S+ 0 0 127 2,-0.1 4,-0.8 3,-0.1 3,-0.1 0.755 108.7 50.7-102.0 -35.2 11.7 -12.6 7.1 18 18 A K H >> S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.916 96.9 68.5 -69.6 -44.6 8.9 -11.4 4.8 19 19 A E H 3X S+ 0 0 45 -4,-2.0 4,-1.7 1,-0.3 3,-0.4 0.869 99.6 51.4 -40.9 -47.0 9.1 -7.8 6.1 20 20 A A H 3> S+ 0 0 38 -4,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.882 102.6 59.5 -60.5 -39.7 12.5 -7.6 4.4 21 21 A E H X S+ 0 0 3 -4,-1.6 4,-2.6 -3,-0.4 3,-1.6 0.998 111.7 43.7 -65.6 -67.9 8.6 -5.9 1.1 23 23 A R H 3X S+ 0 0 92 -4,-1.7 4,-3.0 1,-0.3 5,-0.3 0.834 115.7 52.5 -46.8 -36.3 11.1 -3.1 1.8 24 24 A T H 3X S+ 0 0 92 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.3 0.801 113.3 42.7 -71.7 -29.3 13.4 -4.8 -0.7 25 25 A W H << S+ 0 0 43 -3,-1.6 4,-0.5 -4,-1.2 -2,-0.2 0.705 121.7 40.7 -88.0 -23.1 10.6 -4.9 -3.3 26 26 A I H X>S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.7 0.894 109.1 55.6 -89.5 -49.5 9.4 -1.3 -2.5 27 27 A E H X5S+ 0 0 40 -4,-3.0 4,-2.2 -5,-0.3 5,-0.2 0.888 111.5 46.6 -50.6 -43.7 12.8 0.4 -2.1 28 28 A G H <5S+ 0 0 65 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.831 110.2 54.5 -69.6 -32.3 13.8 -0.8 -5.6 29 29 A L H 45S+ 0 0 57 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.985 127.3 17.3 -64.8 -60.4 10.4 0.3 -7.1 30 30 A T H <5S- 0 0 24 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.786 97.7-133.3 -83.0 -30.0 10.5 3.9 -5.9 31 31 A G << + 0 0 57 -4,-2.2 -3,-0.2 -5,-0.7 -4,-0.1 0.626 62.9 124.8 85.6 13.9 14.2 3.9 -5.2 32 32 A L - 0 0 74 -6,-0.3 2,-0.5 -5,-0.2 -1,-0.3 -0.315 61.1-110.1 -96.2-177.7 13.7 5.6 -1.9 33 33 A S - 0 0 97 1,-0.2 14,-0.1 -2,-0.1 -10,-0.0 -0.970 18.3-171.5-121.8 128.1 14.9 4.6 1.6 34 34 A I - 0 0 10 -2,-0.5 3,-0.2 1,-0.2 -1,-0.2 0.943 38.6-137.9 -79.1 -52.8 12.5 3.5 4.4 35 35 A G - 0 0 33 1,-0.1 3,-0.2 5,-0.1 -1,-0.2 -0.633 30.5 -59.6 121.1 179.7 15.0 3.4 7.3 36 36 A P S S+ 0 0 129 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.835 124.2 58.6 -69.8 -34.1 15.9 1.2 10.3 37 37 A D >> - 0 0 96 1,-0.2 4,-1.9 -3,-0.2 3,-1.2 -0.712 69.6-170.7-100.9 83.0 12.4 1.5 11.8 38 38 A F H 3> S+ 0 0 17 -2,-1.0 4,-2.4 1,-0.3 5,-0.4 0.877 87.6 52.4 -34.3 -62.8 10.1 0.1 9.1 39 39 A Q H 3> S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.874 116.0 42.6 -44.0 -45.1 7.0 1.3 11.0 40 40 A K H <> S+ 0 0 101 -3,-1.2 4,-1.0 2,-0.2 5,-0.4 0.999 108.1 53.7 -66.7 -70.5 8.6 4.8 11.1 41 41 A G H <>S+ 0 0 11 -4,-1.9 5,-0.6 1,-0.3 6,-0.5 0.786 123.1 34.0 -33.9 -38.1 10.0 5.1 7.6 42 42 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.4 -1,-0.3 0.804 101.0 80.7 -89.7 -34.6 6.5 4.3 6.5 43 43 A K H 3<5S+ 0 0 65 -4,-2.5 33,-0.2 -5,-0.4 57,-0.2 0.886 93.1 47.9 -34.3 -69.6 4.7 6.0 9.4 44 44 A D T 3<5S- 0 0 45 -4,-1.0 -1,-0.3 1,-0.1 31,-0.3 0.820 110.2-130.8 -44.5 -35.1 5.0 9.5 7.8 45 45 A G T < 5 + 0 0 0 -3,-1.4 19,-0.2 -5,-0.4 -3,-0.1 0.903 63.2 133.2 82.2 44.5 3.8 7.9 4.6 46 46 A T S > S+ 0 0 2 -6,-0.5 4,-2.9 2,-0.2 5,-0.3 0.953 109.6 69.0 -76.0 -53.6 7.4 6.1 0.3 48 48 A L H > S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.788 104.6 49.2 -34.2 -36.4 4.1 4.1 0.7 49 49 A C H >> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.1 3,-0.7 0.986 111.3 43.6 -70.5 -61.7 2.7 6.8 -1.6 50 50 A T H 3X S+ 0 0 26 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.891 104.9 66.9 -51.0 -43.9 5.3 6.7 -4.3 51 51 A L H 3X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.903 105.6 41.6 -43.6 -52.3 5.3 2.9 -4.2 52 52 A M H XX S+ 0 0 0 -4,-1.1 4,-3.1 -3,-0.7 3,-0.9 0.953 107.0 60.7 -62.6 -52.0 1.7 2.9 -5.5 53 53 A N H 3< S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 101.6 56.6 -43.7 -39.8 2.3 5.7 -8.1 54 54 A K H 3< S+ 0 0 100 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.923 113.7 37.5 -60.3 -46.2 4.9 3.3 -9.6 55 55 A L H << S+ 0 0 18 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.940 127.1 35.2 -71.6 -48.9 2.3 0.6 -10.1 56 56 A Q >< - 0 0 45 -4,-3.1 3,-0.9 -5,-0.1 4,-0.3 -0.935 67.5-150.4-113.8 124.9 -0.5 2.9 -11.1 57 57 A P T 3 S+ 0 0 133 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.421 100.0 37.5 -69.8 3.6 0.1 6.1 -13.1 58 58 A G T 3 S+ 0 0 57 -6,-0.1 -5,-0.1 24,-0.1 -6,-0.0 -0.244 82.3 103.5-152.6 56.3 -2.9 7.6 -11.3 59 59 A S S < S+ 0 0 12 -3,-0.9 -9,-0.1 1,-0.3 26,-0.1 0.853 81.8 28.2-101.2 -62.8 -3.0 6.4 -7.6 60 60 A V - 0 0 10 -4,-0.3 -1,-0.3 -11,-0.2 3,-0.1 -0.890 58.6-158.0-108.9 132.4 -1.8 9.3 -5.5 61 61 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.947 73.7 -18.3 -69.7 -51.1 -2.2 13.0 -6.5 62 62 A K - 0 0 159 13,-0.0 2,-0.4 2,-0.0 16,-0.1 -0.990 59.2-127.0-157.1 155.7 0.5 14.4 -4.3 63 63 A I - 0 0 36 -2,-0.3 2,-1.0 -3,-0.1 -17,-0.1 -0.904 19.2-131.9-111.7 135.7 2.6 13.5 -1.2 64 64 A N - 0 0 41 -2,-0.4 2,-0.8 7,-0.3 11,-0.1 -0.733 17.4-172.1 -87.9 102.2 3.0 15.7 1.8 65 65 A R + 0 0 209 -2,-1.0 2,-0.3 2,-0.1 -1,-0.1 -0.199 47.9 117.4 -86.5 44.3 6.7 16.0 2.6 66 66 A S S S- 0 0 53 -2,-0.8 -2,-0.1 2,-0.1 2,-0.0 -0.757 71.7-128.0-111.7 158.6 5.9 17.8 5.9 67 67 A M S S+ 0 0 182 -2,-0.3 2,-0.3 4,-0.1 -2,-0.1 -0.158 72.5 114.6 -95.6 38.7 6.6 16.8 9.5 68 68 A Q > - 0 0 84 1,-0.2 4,-2.6 -4,-0.1 5,-0.2 -0.759 68.1-129.5-109.4 156.2 3.0 17.4 10.5 69 69 A N H > S+ 0 0 100 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 1.000 106.9 44.5 -64.1 -72.4 0.4 14.9 11.8 70 70 A W H > S+ 0 0 175 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.851 118.0 48.9 -40.0 -43.9 -2.5 15.7 9.5 71 71 A H H > S+ 0 0 58 2,-0.2 4,-1.5 1,-0.2 -7,-0.3 0.956 111.3 46.8 -63.7 -52.5 -0.1 15.8 6.6 72 72 A Q H X S+ 0 0 19 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.881 114.8 49.1 -57.5 -40.1 1.6 12.5 7.5 73 73 A L H >X S+ 0 0 31 -4,-3.1 4,-2.3 1,-0.2 3,-0.6 0.972 101.8 59.4 -64.4 -56.3 -1.9 10.9 7.9 74 74 A E H 3X S+ 0 0 94 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.836 100.2 61.5 -40.6 -40.5 -3.3 12.2 4.6 75 75 A N H 3X S+ 0 0 0 -4,-1.5 4,-2.6 -31,-0.3 -1,-0.3 0.961 107.2 40.4 -52.9 -59.0 -0.5 10.3 3.0 76 76 A L H X S+ 0 0 25 -4,-3.1 3,-1.9 1,-0.3 4,-1.4 0.961 108.3 47.7 -47.3 -70.7 -5.0 3.2 1.0 81 81 A K H 3X S+ 0 0 98 -4,-1.4 4,-0.9 1,-0.3 -1,-0.3 0.783 110.1 58.3 -43.0 -30.2 -7.9 4.4 -1.0 82 82 A A H 3X S+ 0 0 4 -4,-1.0 4,-1.5 -3,-0.4 3,-0.3 0.879 99.1 56.0 -69.9 -39.1 -5.6 4.0 -4.0 83 83 A M H S+ 0 0 0 -3,-1.9 4,-1.5 -4,-1.7 5,-1.2 0.912 99.5 59.9 -59.4 -44.5 -5.0 0.3 -3.3 84 84 A V H <5S+ 0 0 43 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 104.2 51.0 -51.4 -41.4 -8.8 -0.4 -3.4 85 85 A S H <5S+ 0 0 53 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.889 100.9 62.3 -64.9 -40.2 -8.8 0.9 -7.0 86 86 A Y H <5S- 0 0 22 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.893 127.6 -92.8 -52.6 -43.5 -5.9 -1.4 -7.9 87 87 A G T <5S+ 0 0 11 -4,-1.5 -3,-0.2 -3,-0.2 -2,-0.1 0.552 73.8 146.1 133.4 28.6 -8.0 -4.4 -7.1 88 88 A M < - 0 0 21 -5,-1.2 5,-0.1 1,-0.1 23,-0.0 -0.237 48.3 -97.5 -83.8 176.5 -7.4 -5.3 -3.5 89 89 A N - 0 0 90 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.569 25.0-115.6 -95.4 160.1 -9.8 -6.7 -1.0 90 90 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.531 120.0 39.1 -69.8 -5.2 -11.8 -4.8 1.7 91 91 A V S S+ 0 0 88 1,-0.1 20,-0.1 20,-0.0 -3,-0.0 0.559 98.5 73.2-117.0 -19.5 -9.8 -6.8 4.3 92 92 A D S S+ 0 0 27 -3,-0.1 2,-0.2 18,-0.1 22,-0.2 0.163 87.9 89.2 -82.6 19.9 -6.4 -6.8 2.6 93 93 A L - 0 0 24 -5,-0.1 2,-0.3 -3,-0.0 18,-0.1 -0.565 65.6-140.4-110.4 175.8 -6.1 -3.1 3.5 94 94 A F - 0 0 0 -2,-0.2 -14,-0.1 -18,-0.1 -2,-0.0 -0.996 17.2-116.0-140.9 144.6 -4.8 -1.2 6.6 95 95 A E > - 0 0 104 -2,-0.3 4,-0.7 1,-0.1 5,-0.2 -0.300 26.3-117.8 -74.6 161.4 -5.9 1.9 8.5 96 96 A A H >> S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.917 115.2 49.8 -65.3 -44.7 -3.9 5.0 8.7 97 97 A N H 3> S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 6,-1.7 0.887 94.0 74.9 -61.8 -40.2 -3.5 4.8 12.4 98 98 A D H 34 S+ 0 0 17 5,-0.3 6,-3.1 4,-0.2 -1,-0.2 0.853 115.5 20.9 -39.1 -45.2 -2.4 1.2 12.2 99 99 A L H X< S+ 0 0 0 -3,-0.8 3,-1.9 -4,-0.7 -2,-0.2 0.888 123.5 55.7 -91.8 -50.6 1.0 2.5 10.9 100 100 A F H 3< S+ 0 0 23 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.949 127.1 20.4 -46.1 -65.0 0.9 6.1 12.2 101 101 A E T 3< S- 0 0 137 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.151 110.0-111.6 -99.5 37.5 0.4 5.1 15.8 102 102 A S < + 0 0 72 -3,-1.9 3,-0.3 1,-0.2 -3,-0.2 0.743 68.0 152.1 39.5 25.5 1.6 1.5 15.3 103 103 A G S S+ 0 0 51 -6,-1.7 -5,-0.3 1,-0.3 -4,-0.2 0.655 74.2 4.5 -57.8 -13.8 -2.0 0.7 15.9 104 104 A N + 0 0 45 -6,-3.1 4,-0.4 -7,-0.3 -1,-0.3 -0.648 53.9 170.4-175.2 112.3 -1.3 -2.4 13.7 105 105 A M S > S+ 0 0 36 -3,-0.3 4,-0.7 -2,-0.2 -2,-0.1 0.465 83.8 59.7-102.8 -6.1 1.9 -3.6 12.1 106 106 A T H > S+ 0 0 48 2,-0.2 4,-1.9 3,-0.1 -93,-0.5 0.829 103.2 48.3 -89.3 -37.7 0.4 -6.9 11.0 107 107 A Q H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.860 113.5 47.9 -70.8 -36.6 -2.4 -5.5 8.8 108 108 A V H > S+ 0 0 0 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.846 109.6 53.9 -72.4 -34.9 0.1 -3.1 7.0 109 109 A Q H X S+ 0 0 0 -4,-0.7 4,-1.9 2,-0.2 3,-0.3 0.966 112.3 41.4 -63.9 -54.8 2.6 -5.9 6.5 110 110 A V H X S+ 0 0 10 -4,-1.9 4,-2.2 -97,-0.3 5,-0.3 0.918 106.2 64.8 -59.5 -45.8 0.2 -8.3 4.7 111 111 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 3,-0.3 0.895 108.4 40.3 -43.5 -50.6 -1.4 -5.5 2.8 112 112 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.897 111.3 56.4 -67.7 -41.4 1.9 -4.9 1.0 113 113 A L H X S+ 0 0 18 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.754 114.8 40.8 -62.3 -23.6 2.6 -8.7 0.7 114 114 A A H X S+ 0 0 11 -4,-2.2 4,-1.1 -3,-0.3 -2,-0.2 0.815 114.0 49.9 -92.3 -37.2 -0.8 -8.9 -1.1 115 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.827 111.3 51.4 -70.7 -32.2 -0.5 -5.7 -3.2 116 116 A A H X S+ 0 0 11 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.978 102.8 54.9 -68.7 -58.3 3.0 -6.8 -4.4 117 117 A G H < S+ 0 0 40 -4,-0.9 4,-0.5 -5,-0.3 -1,-0.2 0.827 115.3 42.4 -44.3 -37.4 2.1 -10.3 -5.6 118 118 A K H >< S+ 0 0 29 -4,-1.1 3,-1.0 2,-0.2 4,-0.3 0.901 110.9 53.9 -77.6 -43.8 -0.6 -8.7 -7.8 119 119 A A H >< S+ 0 0 3 -4,-2.1 3,-3.0 1,-0.2 4,-0.4 0.894 93.2 72.5 -57.3 -42.3 1.6 -5.8 -9.0 120 120 A K G >X S+ 0 0 120 -4,-3.0 3,-2.0 1,-0.3 4,-0.6 0.852 77.3 79.1 -40.5 -43.6 4.3 -8.3 -10.1 121 121 A T G <4 S+ 0 0 33 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.811 81.2 68.6 -35.1 -40.8 1.9 -9.2 -13.0 122 122 A K G <4 S+ 0 0 124 -3,-3.0 -1,-0.3 -4,-0.3 -2,-0.2 0.922 109.2 32.3 -47.3 -53.2 3.1 -6.0 -14.6 123 123 A G T <4 S+ 0 0 60 -3,-2.0 -2,-0.2 -4,-0.4 3,-0.1 0.988 107.6 65.1 -68.9 -81.1 6.6 -7.5 -15.1 124 124 A L S < S- 0 0 103 -4,-0.6 2,-0.3 1,-0.1 0, 0.0 -0.131 95.6-107.9 -46.0 134.0 6.1 -11.2 -15.7 125 125 A Q - 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