==== 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 1WYQ . COMPND 2 MOLECULE: SPECTRIN BETA CHAIN, BRAIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN . 127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 53.5 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 . 8 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 1 0 1 1 0 0 0 1 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 . 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 0 136 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.1 14.1 25.7 -4.1 2 2 A S - 0 0 122 3,-0.0 2,-0.3 0, 0.0 3,-0.0 -0.826 360.0-178.2-172.8 130.3 14.8 22.1 -5.1 3 3 A S - 0 0 112 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.920 52.2 -4.1-132.7 158.2 16.8 20.4 -7.9 4 4 A G S S- 0 0 78 -2,-0.3 2,-0.4 1,-0.1 0, 0.0 -0.174 97.6 -59.0 59.9-154.5 17.5 16.8 -9.0 5 5 A S + 0 0 110 2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.908 61.9 163.1-133.4 106.0 16.0 13.9 -6.9 6 6 A S + 0 0 125 -2,-0.4 2,-0.2 -3,-0.1 -2,-0.0 -0.848 19.9 90.2-120.9 157.1 17.0 13.6 -3.3 7 7 A G - 0 0 56 -2,-0.3 3,-0.3 1,-0.1 4,-0.2 -0.577 58.5-120.2 138.2 158.9 15.6 11.6 -0.4 8 8 A A S > S+ 0 0 94 -2,-0.2 2,-0.9 1,-0.2 3,-0.5 0.827 106.1 56.0 -96.2 -42.5 15.7 8.3 1.4 9 9 A K T 3> S+ 0 0 69 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 -0.217 82.1 99.4 -85.7 45.6 12.0 7.2 1.0 10 10 A D H 3> + 0 0 62 -2,-0.9 4,-3.3 -3,-0.3 5,-0.4 0.879 68.3 59.3 -94.8 -53.1 12.3 7.5 -2.8 11 11 A A H <> S+ 0 0 84 -3,-0.5 4,-1.2 1,-0.2 -2,-0.1 0.874 117.0 36.8 -43.1 -45.9 12.9 3.9 -3.9 12 12 A L H > S+ 0 0 21 -4,-0.3 4,-2.1 2,-0.2 3,-0.4 0.959 112.5 55.9 -73.7 -53.8 9.6 3.0 -2.2 13 13 A L H X S+ 0 0 28 -4,-0.7 4,-1.8 1,-0.3 -2,-0.2 0.874 110.2 48.2 -45.6 -44.1 7.7 6.1 -3.1 14 14 A L H X S+ 0 0 85 -4,-3.3 4,-2.8 2,-0.2 -1,-0.3 0.880 106.6 57.7 -66.1 -38.9 8.5 5.5 -6.8 15 15 A W H X S+ 0 0 35 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.955 110.5 41.0 -56.2 -54.8 7.4 1.8 -6.5 16 16 A C H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.848 113.8 55.6 -62.9 -35.0 3.9 2.7 -5.3 17 17 A Q H X S+ 0 0 60 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.911 107.3 48.4 -64.5 -43.8 3.8 5.6 -7.9 18 18 A M H X S+ 0 0 112 -4,-2.8 4,-0.5 2,-0.2 -2,-0.2 0.941 118.5 39.2 -62.1 -49.4 4.6 3.2 -10.8 19 19 A K H >< S+ 0 0 64 -4,-2.1 3,-1.8 1,-0.2 4,-0.3 0.976 117.3 47.3 -65.1 -57.6 1.9 0.7 -9.7 20 20 A T H >< S+ 0 0 3 -4,-2.9 3,-2.4 1,-0.3 6,-0.2 0.814 93.5 81.9 -54.3 -31.4 -0.7 3.2 -8.7 21 21 A A H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.848 74.6 74.1 -42.3 -41.7 -0.0 5.0 -12.0 22 22 A G T << S+ 0 0 60 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.849 96.0 55.1 -41.6 -43.4 -2.3 2.5 -13.6 23 23 A Y S < S- 0 0 35 -3,-2.4 20,-0.0 -4,-0.3 0, 0.0 -0.781 72.9-150.2 -99.5 139.2 -5.2 4.3 -12.1 24 24 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.933 98.0 48.4 -69.8 -48.5 -5.9 8.0 -12.6 25 25 A N S S+ 0 0 73 14,-0.0 2,-0.4 2,-0.0 15,-0.1 0.914 98.5 79.4 -59.3 -44.9 -7.6 8.7 -9.2 26 26 A V + 0 0 5 -6,-0.2 2,-0.3 13,-0.1 -3,-0.1 -0.521 59.9 164.5 -70.0 122.7 -4.8 6.8 -7.4 27 27 A N - 0 0 82 -2,-0.4 2,-0.9 7,-0.2 3,-0.3 -0.947 26.0-161.3-146.1 121.1 -1.8 9.0 -6.9 28 28 A V + 0 0 2 -2,-0.3 -11,-0.1 1,-0.2 3,-0.1 -0.767 36.6 139.1-104.5 88.4 1.2 8.5 -4.6 29 29 A H S S+ 0 0 125 -2,-0.9 2,-0.2 1,-0.1 -1,-0.2 0.803 71.8 7.9 -95.4 -37.7 2.9 11.9 -4.2 30 30 A N - 0 0 58 -3,-0.3 -1,-0.1 -17,-0.0 -3,-0.0 -0.710 68.5-115.9-133.1-176.2 3.6 11.8 -0.5 31 31 A F S S+ 0 0 7 -2,-0.2 69,-0.3 3,-0.1 68,-0.2 -0.007 105.5 40.5-113.9 26.6 3.4 9.5 2.5 32 32 A T S > S+ 0 0 20 67,-0.1 3,-0.7 65,-0.1 4,-0.5 0.509 117.3 32.5-132.8 -69.0 0.8 11.4 4.4 33 33 A T T 3 S+ 0 0 70 1,-0.2 -4,-0.1 2,-0.1 -2,-0.1 -0.051 113.3 66.2 -88.2 33.4 -2.0 12.9 2.4 34 34 A S T 3 S+ 0 0 15 -6,-0.1 6,-0.4 -5,-0.1 4,-0.3 0.577 106.5 32.9-122.7 -26.2 -1.8 10.0 -0.0 35 35 A W S < S+ 0 0 0 -3,-0.7 -2,-0.1 2,-0.1 6,-0.1 0.321 92.5 93.5-113.2 3.1 -2.9 7.1 2.2 36 36 A R S S+ 0 0 121 -4,-0.5 -3,-0.1 1,-0.1 -1,-0.1 0.900 91.1 42.1 -62.7 -42.1 -5.4 9.1 4.3 37 37 A D S S- 0 0 33 1,-0.1 30,-0.2 53,-0.1 -1,-0.1 0.987 102.0-131.6 -68.8 -61.9 -8.3 8.1 2.0 38 38 A G S >> S+ 0 0 0 -4,-0.3 4,-1.7 28,-0.1 3,-1.5 -0.182 79.4 101.7 137.6 -44.6 -7.5 4.5 1.5 39 39 A L H 3> S+ 0 0 8 1,-0.3 4,-1.1 2,-0.2 5,-0.3 0.863 76.1 67.2 -35.1 -54.0 -7.7 3.9 -2.3 40 40 A A H >> S+ 0 0 5 -6,-0.4 4,-1.3 1,-0.3 3,-1.2 0.867 106.6 39.3 -34.7 -57.2 -3.9 4.0 -2.5 41 41 A F H <> S+ 0 0 0 -3,-1.5 4,-1.4 1,-0.3 -1,-0.3 0.880 114.1 54.1 -64.3 -38.9 -3.8 0.8 -0.5 42 42 A N H 3< S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.472 107.0 55.7 -74.6 -0.7 -6.8 -0.6 -2.4 43 43 A A H X S+ 0 0 2 -4,-1.4 4,-2.9 2,-0.2 3,-1.9 0.994 108.4 56.8 -63.7 -65.2 -3.5 -5.0 -4.1 46 46 A H H 34 S+ 0 0 42 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 104.1 59.3 -35.8 -37.2 -6.1 -4.9 -6.8 47 47 A K H 3< S+ 0 0 100 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.925 115.7 31.0 -61.4 -46.3 -3.1 -4.6 -9.2 48 48 A H H << S+ 0 0 50 -3,-1.9 -2,-0.2 -4,-1.1 -1,-0.2 0.904 140.1 19.3 -78.9 -44.6 -1.7 -8.0 -8.0 49 49 A R >X + 0 0 132 -4,-2.9 4,-0.7 -5,-0.1 3,-0.5 -0.775 60.5 176.7-132.1 88.7 -5.1 -9.6 -7.2 50 50 A P T 34 S+ 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.429 80.1 66.1 -69.8 3.0 -8.0 -7.9 -8.9 51 51 A D T 34 S+ 0 0 116 3,-0.1 -5,-0.1 1,-0.1 -2,-0.0 0.872 86.3 63.8 -90.6 -45.9 -10.2 -10.6 -7.4 52 52 A L T <4 S+ 0 0 35 -3,-0.5 2,-0.3 -7,-0.1 -1,-0.1 0.927 119.6 5.8 -42.1 -63.8 -9.8 -9.8 -3.7 53 53 A L < - 0 0 10 -4,-0.7 2,-0.6 -11,-0.1 3,-0.1 -0.805 69.1-127.7-122.7 164.7 -11.5 -6.4 -4.1 54 54 A D >> - 0 0 96 -2,-0.3 3,-2.1 1,-0.2 4,-2.0 -0.769 16.4-172.9-115.7 85.4 -13.3 -4.6 -6.9 55 55 A F T 34 S+ 0 0 27 -2,-0.6 -1,-0.2 1,-0.3 -13,-0.0 0.848 88.1 60.6 -42.0 -41.5 -11.8 -1.1 -7.3 56 56 A E T 34 S+ 0 0 185 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.872 107.6 43.9 -56.3 -39.0 -14.5 -0.4 -9.8 57 57 A S T <4 S+ 0 0 86 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.858 98.6 90.6 -74.9 -36.8 -17.1 -1.0 -7.0 58 58 A L S < S- 0 0 24 -4,-2.0 2,-0.3 -16,-0.1 -5,-0.0 -0.125 70.7-138.4 -57.4 156.8 -15.1 1.0 -4.5 59 59 A K - 0 0 130 3,-0.2 2,-0.1 1,-0.0 -20,-0.1 -0.895 14.4-130.8-122.0 151.9 -15.8 4.7 -4.1 60 60 A K S S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.129 99.0 62.8 -90.5 37.9 -13.5 7.7 -3.7 61 61 A C S S+ 0 0 111 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.660 84.5 65.6-122.6 -58.8 -15.6 9.0 -0.8 62 62 A N + 0 0 92 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 -0.561 48.2 162.5 -75.4 130.3 -15.6 6.5 2.1 63 63 A A > + 0 0 11 -2,-0.3 4,-3.0 2,-0.1 5,-0.3 0.770 64.5 66.0-111.3 -55.8 -12.2 6.1 3.7 64 64 A H H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.828 116.1 35.5 -36.6 -42.5 -12.7 4.5 7.1 65 65 A Y H > S+ 0 0 96 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.962 111.9 55.7 -78.8 -58.0 -13.9 1.4 5.2 66 66 A N H > S+ 0 0 3 -4,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.777 114.0 47.3 -45.8 -28.2 -11.6 1.6 2.2 67 67 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 -30,-0.2 5,-0.3 0.969 112.2 43.3 -78.8 -60.9 -8.9 1.5 4.8 68 68 A Q H X S+ 0 0 81 -4,-1.7 4,-3.0 -5,-0.3 5,-0.2 0.887 113.9 54.5 -52.2 -42.7 -10.0 -1.3 7.0 69 69 A N H X S+ 0 0 32 -4,-3.3 4,-3.2 2,-0.2 5,-0.3 0.939 111.6 42.9 -57.9 -50.1 -10.9 -3.4 4.0 70 70 A A H X S+ 0 0 2 -4,-1.2 4,-2.1 -5,-0.4 5,-0.3 0.943 116.3 47.1 -62.0 -50.1 -7.4 -3.0 2.5 71 71 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.882 119.1 42.3 -59.7 -39.8 -5.6 -3.6 5.8 72 72 A N H X S+ 0 0 57 -4,-3.0 4,-1.6 -5,-0.3 5,-0.3 0.986 109.7 53.2 -70.9 -62.1 -7.8 -6.6 6.4 73 73 A L H X S+ 0 0 28 -4,-3.2 4,-3.1 1,-0.3 5,-0.5 0.865 119.3 38.1 -39.9 -47.2 -7.8 -8.2 3.0 74 74 A A H <>S+ 0 0 0 -4,-2.1 5,-3.2 -5,-0.3 6,-1.3 0.905 111.2 57.2 -73.3 -43.4 -4.0 -8.1 3.1 75 75 A E H <5S+ 0 0 55 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.621 122.7 29.8 -63.3 -11.0 -3.8 -9.0 6.8 76 76 A K H <5S+ 0 0 155 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.772 128.4 32.6-110.9 -62.1 -5.8 -12.1 5.8 77 77 A E T <5S+ 0 0 111 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.998 132.8 28.5 -61.2 -71.0 -4.9 -13.0 2.2 78 78 A L T 5S- 0 0 24 -5,-0.5 -3,-0.2 1,-0.1 -1,-0.1 0.918 104.8-128.9 -57.7 -46.1 -1.3 -11.9 2.1 79 79 A G < + 0 0 52 -5,-3.2 2,-0.3 1,-0.2 -4,-0.2 0.810 47.6 157.9 97.8 38.2 -0.8 -12.5 5.8 80 80 A L - 0 0 27 -6,-1.3 2,-0.5 -9,-0.1 -1,-0.2 -0.693 45.3-111.3 -96.4 148.4 0.7 -9.2 6.9 81 81 A T - 0 0 112 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 -0.668 31.1-120.3 -81.4 120.4 0.5 -7.8 10.5 82 82 A K + 0 0 69 -2,-0.5 -1,-0.1 1,-0.2 -10,-0.0 -0.442 40.5 167.8 -62.6 102.7 -1.7 -4.8 10.8 83 83 A L + 0 0 91 -2,-0.8 2,-0.2 16,-0.1 -1,-0.2 0.755 64.4 34.8 -87.9 -28.1 0.7 -2.1 12.1 84 84 A L S S- 0 0 24 -3,-0.1 15,-0.0 15,-0.1 0, 0.0 -0.651 76.0-128.6-119.2 176.7 -1.7 0.7 11.5 85 85 A D > - 0 0 72 -2,-0.2 4,-2.0 1,-0.0 5,-0.4 -0.900 22.8-118.7-128.3 157.1 -5.5 1.3 11.6 86 86 A P T 4 S+ 0 0 14 0, 0.0 -19,-0.1 0, 0.0 -18,-0.1 0.521 118.3 40.8 -69.8 -4.3 -8.1 2.7 9.3 87 87 A E T 4 S+ 0 0 130 2,-0.1 -23,-0.1 -20,-0.1 -24,-0.0 0.701 110.9 52.7-111.5 -35.5 -8.8 5.4 11.9 88 88 A D T 4 S+ 0 0 104 1,-0.1 -4,-0.0 3,-0.0 0, 0.0 0.937 115.9 39.7 -67.7 -48.3 -5.2 6.2 13.1 89 89 A V S < S+ 0 0 5 -4,-2.0 2,-0.9 5,-0.1 -1,-0.1 0.938 93.7 90.0 -66.9 -48.6 -3.9 6.9 9.6 90 90 A N + 0 0 60 -5,-0.4 2,-0.3 -53,-0.1 -54,-0.1 -0.313 67.3 113.2 -54.4 95.2 -7.1 8.7 8.4 91 91 A V S S- 0 0 60 -2,-0.9 -55,-0.1 -59,-0.2 -3,-0.0 -0.984 79.6-101.8-161.5 163.7 -6.1 12.2 9.3 92 92 A D S S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 -56,-0.1 0.943 117.5 9.2 -55.7 -52.2 -5.2 15.7 7.9 93 93 A Q S S- 0 0 141 -3,-0.1 -1,-0.3 -60,-0.0 -60,-0.1 -0.686 84.4-175.7-134.8 80.8 -1.5 15.1 8.5 94 94 A P - 0 0 11 0, 0.0 2,-1.0 0, 0.0 -5,-0.1 -0.137 41.4 -84.5 -69.8 169.2 -0.7 11.5 9.5 95 95 A D >> - 0 0 114 1,-0.2 3,-1.4 -63,-0.1 4,-0.9 -0.676 33.8-164.8 -81.5 103.7 2.7 10.2 10.4 96 96 A E H 3> S+ 0 0 75 -2,-1.0 4,-3.0 1,-0.3 3,-0.5 0.821 91.7 57.4 -56.0 -31.9 4.5 9.4 7.2 97 97 A K H 3> S+ 0 0 135 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.773 104.4 51.3 -70.3 -26.3 7.0 7.5 9.2 98 98 A S H <4 S+ 0 0 57 -3,-1.4 4,-0.3 2,-0.1 -1,-0.2 0.604 118.4 38.2 -85.2 -13.1 4.2 5.3 10.7 99 99 A I H >X S+ 0 0 1 -4,-0.9 4,-1.8 -3,-0.5 3,-1.5 0.852 103.9 61.7-100.4 -55.0 2.9 4.6 7.2 100 100 A I H 3X S+ 0 0 25 -4,-3.0 4,-1.1 1,-0.3 -3,-0.1 0.794 103.4 57.8 -42.9 -31.9 6.1 4.2 5.0 101 101 A T H 3< S+ 0 0 86 -4,-0.5 4,-0.5 -5,-0.3 -1,-0.3 0.904 109.2 42.3 -67.8 -42.7 6.8 1.2 7.4 102 102 A Y H X> S+ 0 0 1 -3,-1.5 3,-2.7 -4,-0.3 4,-0.7 0.986 114.4 47.3 -67.7 -61.2 3.5 -0.5 6.5 103 103 A V H 3X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.3 3,-0.4 0.774 100.7 71.6 -52.0 -26.7 3.5 0.1 2.8 104 104 A A H 3X S+ 0 0 24 -4,-1.1 4,-2.2 -5,-0.5 -1,-0.3 0.798 90.4 59.3 -60.7 -28.7 7.1 -1.1 2.9 105 105 A T H <> S+ 0 0 37 -3,-2.7 4,-3.2 -4,-0.5 5,-0.3 0.891 96.5 59.3 -67.6 -40.7 5.8 -4.6 3.6 106 106 A Y H X S+ 0 0 0 -4,-0.7 4,-1.4 -3,-0.4 5,-0.3 0.873 110.6 43.2 -56.0 -39.0 3.8 -4.7 0.3 107 107 A Y H X S+ 0 0 95 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.971 117.7 42.3 -71.7 -56.7 7.0 -4.2 -1.6 108 108 A H H X S+ 0 0 117 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.952 117.5 47.9 -55.0 -54.6 9.2 -6.6 0.4 109 109 A Y H >X S+ 0 0 71 -4,-3.2 4,-1.0 2,-0.2 3,-0.7 0.974 116.8 39.0 -50.2 -73.2 6.5 -9.3 0.5 110 110 A F H >< S+ 0 0 41 -4,-1.4 3,-0.6 -5,-0.3 -1,-0.2 0.861 114.4 58.3 -46.5 -40.9 5.5 -9.3 -3.1 111 111 A S H 3< S+ 0 0 37 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.926 92.3 66.7 -56.9 -47.9 9.2 -8.8 -4.0 112 112 A K H << S+ 0 0 142 -4,-2.8 3,-0.3 -3,-0.7 -1,-0.2 0.864 90.2 81.7 -40.3 -46.6 10.1 -12.1 -2.2 113 113 A M S << S- 0 0 117 -4,-1.0 2,-0.6 -3,-0.6 10,-0.0 0.173 114.3 -43.9 -51.2 179.6 8.1 -13.9 -4.9 114 114 A K S S+ 0 0 208 3,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.319 100.2 111.8 -54.1 100.6 9.7 -14.7 -8.2 115 115 A A S S- 0 0 55 -2,-0.6 -4,-0.0 -3,-0.3 0, 0.0 -0.980 73.9 -57.7-167.4 161.6 11.4 -11.4 -9.0 116 116 A L + 0 0 163 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.098 62.4 158.6 -46.0 139.8 14.8 -9.7 -9.4 117 117 A A - 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