==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 08-SEP-09 3JRN . COMPND 2 MOLECULE: AT1G72930 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR S.L.CHAN,T.MUKASA,E.SANTELLI,L.Y.LOW,J.PASCUAL . 151 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 80.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 13.9 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 . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.3 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 1 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 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 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 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 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 7 A T 0 0 131 0, 0.0 43,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 -72.5 48.0 60.0 13.4 2 8 A K + 0 0 138 41,-0.7 2,-0.4 1,-0.2 42,-0.2 0.647 360.0 35.1 -76.0 -16.0 47.0 58.3 10.2 3 9 A Y E -a 44 0A 68 40,-1.6 42,-2.4 1,-0.1 43,-0.2 -0.996 54.6-161.8-143.9 135.8 46.0 55.1 12.1 4 10 A D E S+ 0 0 18 28,-2.0 42,-0.9 -2,-0.4 2,-0.4 0.781 87.3 29.0 -81.2 -29.7 44.4 54.5 15.5 5 11 A V E -ab 46 33A 0 27,-2.3 29,-3.0 40,-0.2 2,-0.5 -0.985 58.1-164.8-141.4 130.3 45.6 50.9 15.4 6 12 A F E -ab 47 34A 5 40,-2.9 42,-2.0 -2,-0.4 2,-0.6 -0.957 21.9-146.4-109.0 123.2 48.5 49.0 13.9 7 13 A L E -a 48 0A 1 27,-2.7 2,-0.5 -2,-0.5 29,-0.4 -0.820 13.8-171.8 -96.4 119.9 47.9 45.2 13.9 8 14 A S E +a 49 0A 0 40,-2.6 42,-3.1 -2,-0.6 2,-0.3 -0.939 26.8 133.0-110.4 126.1 51.0 43.0 14.4 9 15 A F E -a 50 0A 12 -2,-0.5 2,-1.0 40,-0.2 42,-0.1 -0.991 61.5 -98.6-164.2 164.5 50.4 39.3 13.9 10 16 A R >> - 0 0 57 40,-0.6 4,-2.3 -2,-0.3 3,-1.4 -0.839 33.5-155.7 -93.4 103.7 51.7 36.1 12.4 11 17 A G H 3>>S+ 0 0 16 -2,-1.0 4,-2.3 1,-0.3 5,-0.5 0.884 88.8 59.5 -44.2 -53.1 49.4 35.8 9.3 12 18 A H H 345S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.798 115.1 35.9 -49.0 -35.4 49.8 32.0 9.0 13 19 A D H <45S+ 0 0 30 -3,-1.4 5,-0.2 2,-0.0 -2,-0.2 0.926 137.5 5.2 -86.1 -49.3 48.3 31.6 12.5 14 20 A T H ><>S+ 0 0 1 -4,-2.3 5,-2.2 3,-0.1 3,-0.7 0.516 92.3 98.2-119.9 -6.8 45.7 34.3 12.8 15 21 A R T 3<5S+ 0 0 31 -4,-2.3 5,-0.4 -5,-0.5 -3,-0.1 0.927 96.6 35.2 -51.0 -53.6 45.1 36.3 9.5 16 22 A H T 3 5S+ 0 0 64 -3,-0.7 4,-1.7 3,-0.1 3,-0.6 0.508 127.4 14.4-115.3 -99.2 40.6 33.7 11.8 18 24 A F H 3>5S+ 0 0 3 1,-0.2 4,-2.6 -5,-0.2 5,-0.2 0.878 128.1 50.3 -48.0 -47.6 41.1 35.9 14.9 19 25 A I H 3> S+ 0 0 51 -6,-0.6 4,-1.7 -3,-0.6 -1,-0.2 0.900 112.9 43.8 -65.1 -36.5 39.6 38.9 10.4 21 27 A F H X S+ 0 0 138 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.911 114.7 47.7 -73.1 -43.8 37.2 39.2 13.3 22 28 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.922 113.0 48.6 -63.8 -44.4 39.2 41.8 15.2 23 29 A Y H X S+ 0 0 81 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.924 110.4 51.5 -61.7 -45.0 39.7 43.9 12.1 24 30 A K H X S+ 0 0 148 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.941 112.1 46.2 -57.4 -48.5 36.0 43.8 11.2 25 31 A E H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.877 112.0 50.6 -63.8 -39.6 35.0 44.9 14.7 26 32 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 -2,-0.2 0.947 111.5 46.4 -64.6 -48.2 37.6 47.7 14.8 27 33 A V H ><5S+ 0 0 73 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.871 109.3 58.0 -60.1 -37.0 36.5 49.1 11.4 28 34 A R H 3<5S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.898 104.3 48.7 -59.5 -45.5 32.9 48.8 12.6 29 35 A R T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.248 123.4-108.6 -80.3 14.1 33.5 51.0 15.6 30 36 A S T < 5 + 0 0 101 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.779 66.9 155.0 64.2 28.6 35.1 53.5 13.2 31 37 A I < - 0 0 3 -5,-3.0 2,-0.7 -6,-0.2 -1,-0.2 -0.799 45.0-129.9 -90.2 119.1 38.6 52.7 14.5 32 38 A R + 0 0 111 -2,-0.6 -27,-2.3 -3,-0.1 -28,-2.0 -0.572 39.6 175.2 -71.4 110.8 41.2 53.4 11.8 33 39 A T E -b 5 0A 10 -2,-0.7 2,-0.4 -29,-0.2 -27,-0.2 -0.931 22.9-150.6-126.8 147.7 43.4 50.3 11.7 34 40 A F E +b 6 0A 52 -29,-3.0 -27,-2.7 -2,-0.4 2,-0.3 -0.923 18.7 164.5-116.7 137.6 46.2 49.0 9.5 35 41 A K - 0 0 57 -2,-0.4 -27,-0.1 -29,-0.2 -2,-0.0 -0.936 30.7-128.8-150.4 123.1 47.1 45.4 8.7 36 42 A D - 0 0 62 -29,-0.4 2,-0.1 -2,-0.3 -2,-0.0 -0.163 25.7-118.1 -67.0 167.7 49.4 44.3 5.9 37 43 A D 0 0 126 -26,-0.0 -1,-0.1 0, 0.0 -26,-0.1 -0.353 360.0 360.0 -97.7-178.8 48.4 41.7 3.3 38 44 A K 0 0 187 -2,-0.1 -27,-0.1 -27,-0.1 -26,-0.1 0.826 360.0 360.0 -27.4 360.0 50.0 38.3 2.6 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 59 A P 0 0 69 0, 0.0 -37,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 20.5 52.9 52.9 9.2 41 60 A I > + 0 0 22 1,-0.2 3,-1.4 2,-0.2 -35,-0.1 0.908 360.0 52.1 -66.7 -40.7 54.0 51.8 12.7 42 61 A E T 3 S+ 0 0 155 1,-0.3 -1,-0.2 35,-0.0 26,-0.0 0.787 111.9 46.4 -64.9 -28.5 55.4 55.3 13.3 43 62 A V T 3 S+ 0 0 30 -42,-0.1 -40,-1.6 -41,-0.1 -41,-0.7 0.276 95.7 95.1 -98.9 11.0 52.1 56.8 12.2 44 63 A S E < -a 3 0A 2 -3,-1.4 -40,-0.2 -42,-0.2 -39,-0.1 -0.842 58.0-157.4-105.7 140.0 50.0 54.5 14.3 45 64 A R E S+ 0 0 92 -42,-2.4 33,-1.9 -2,-0.4 2,-0.3 0.870 79.6 31.6 -79.8 -40.2 48.8 55.4 17.8 46 65 A F E -ac 5 78A 4 -42,-0.9 -40,-2.9 -43,-0.2 2,-0.5 -0.888 61.5-157.8-121.5 152.0 48.2 51.9 19.1 47 66 A A E -ac 6 79A 0 31,-2.1 33,-3.0 -2,-0.3 2,-0.8 -0.931 5.7-166.7-130.3 103.9 49.9 48.6 18.3 48 67 A V E -ac 7 80A 0 -42,-2.0 -40,-2.6 -2,-0.5 2,-0.7 -0.855 13.7-164.3 -92.2 113.2 47.7 45.5 19.0 49 68 A V E -ac 8 81A 0 31,-2.0 33,-2.4 -2,-0.8 2,-1.1 -0.894 8.9-162.2-108.3 110.9 50.2 42.7 18.9 50 69 A V E -ac 9 82A 0 -42,-3.1 2,-1.0 -2,-0.7 -40,-0.6 -0.754 6.9-165.0 -94.7 94.8 48.8 39.2 18.6 51 70 A V E + c 0 83A 1 31,-2.0 33,-2.0 -2,-1.1 35,-0.3 -0.711 18.0 175.1 -85.2 105.7 51.6 36.8 19.7 52 71 A S >> - 0 0 5 -2,-1.0 3,-1.6 31,-0.2 4,-0.6 -0.400 48.1 -79.1-101.0 179.3 50.5 33.4 18.5 53 72 A E T 34 S+ 0 0 107 31,-0.5 3,-0.2 1,-0.3 32,-0.1 0.809 129.1 31.6 -49.0 -41.8 52.2 30.0 18.5 54 73 A N T 3> S+ 0 0 44 1,-0.1 4,-0.6 2,-0.1 3,-0.4 0.265 88.7 99.7-105.3 11.2 54.4 30.6 15.5 55 74 A Y T X4 S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.2 6,-0.3 0.957 88.5 44.2 -59.5 -52.3 54.9 34.4 15.9 56 75 A A T 3< S+ 0 0 3 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.585 100.1 71.4 -69.3 -12.3 58.3 33.9 17.4 57 76 A A T 34 S+ 0 0 32 -3,-0.4 2,-0.6 1,-0.1 -1,-0.3 0.704 89.0 74.5 -75.7 -19.5 59.1 31.3 14.7 58 77 A S S+ 0 0 10 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.843 95.2 58.3 -63.0 -31.4 62.4 36.4 12.5 60 79 A W H > S+ 0 0 193 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 105.1 47.7 -66.0 -40.8 60.4 39.0 10.5 61 80 A C H > S+ 0 0 13 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.889 112.0 50.6 -66.8 -39.2 57.6 39.1 13.1 62 81 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 -7,-0.3 -2,-0.2 0.856 107.3 53.5 -67.1 -34.2 60.3 39.5 15.8 63 82 A D H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.884 109.4 49.3 -66.0 -38.1 61.9 42.3 13.8 64 83 A E H X S+ 0 0 41 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.902 109.4 51.5 -66.8 -41.0 58.5 44.0 13.8 65 84 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.886 110.1 49.2 -64.0 -37.8 58.1 43.5 17.5 66 85 A V H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.917 110.1 51.1 -67.4 -41.4 61.5 45.1 18.1 67 86 A T H X S+ 0 0 58 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.938 114.1 44.8 -59.0 -47.1 60.6 48.0 15.9 68 87 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.912 114.2 47.4 -63.3 -47.5 57.4 48.5 17.9 69 88 A M H X S+ 0 0 11 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.823 108.1 55.0 -68.3 -30.8 59.0 48.1 21.3 70 89 A D H X S+ 0 0 65 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.832 112.6 44.2 -70.3 -29.8 61.8 50.5 20.5 71 90 A F H <>S+ 0 0 27 -4,-1.2 5,-2.7 -5,-0.2 6,-0.5 0.848 110.9 54.0 -78.9 -35.8 59.2 53.1 19.6 72 91 A E H ><5S+ 0 0 58 -4,-2.3 3,-1.9 4,-0.2 -2,-0.2 0.874 101.5 60.0 -64.4 -38.0 57.1 52.2 22.7 73 92 A K H 3<5S+ 0 0 167 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.0 44.0 -60.5 -35.6 60.2 52.8 24.9 74 93 A K T 3<5S- 0 0 141 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.101 120.5-108.3 -97.3 23.0 60.4 56.4 23.7 75 94 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.609 83.1 127.1 64.0 15.6 56.7 56.9 24.0 76 95 A S S > - 0 0 107 -2,-0.4 4,-1.4 1,-0.1 3,-0.6 -0.432 23.2-125.4 -70.7 145.4 51.4 31.8 28.0 88 107 A P H 3> S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.863 111.5 55.0 -59.6 -35.8 52.8 35.2 28.9 89 108 A N H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 6,-0.3 0.793 102.0 57.0 -69.3 -27.1 55.6 33.6 30.9 90 109 A H H <>>S+ 0 0 54 -3,-0.6 5,-1.6 2,-0.2 4,-1.0 0.879 111.2 43.6 -68.6 -37.8 56.6 31.6 27.8 91 110 A V H <5S+ 0 0 0 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.900 111.2 55.3 -72.5 -40.2 57.0 34.8 25.9 92 111 A R H <5S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 125.4 20.5 -61.3 -39.5 58.8 36.5 28.9 93 112 A W H <5S- 0 0 137 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.384 105.0-116.6-110.7 1.4 61.5 33.8 29.1 94 113 A Q T <5S+ 0 0 15 -4,-1.0 -3,-0.2 -5,-0.2 8,-0.2 0.928 71.8 134.7 60.3 46.1 61.2 32.4 25.6 95 114 A T > < + 0 0 58 -5,-1.6 3,-1.7 -6,-0.3 -1,-0.1 -0.324 40.0 40.5-107.7-165.7 60.1 29.0 27.1 96 115 A G T >> S- 0 0 37 1,-0.3 3,-1.1 2,-0.2 4,-0.5 -0.405 135.3 -12.8 61.4-138.2 57.3 26.7 26.1 97 116 A V H 3> S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.744 132.6 69.3 -67.3 -23.6 57.1 26.6 22.2 98 117 A L H <> S+ 0 0 2 -3,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.766 85.4 69.3 -66.7 -25.3 59.5 29.6 21.9 99 118 A A H <> S+ 0 0 50 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.963 103.0 41.4 -57.2 -54.6 62.5 27.6 23.2 100 119 A E H X S+ 0 0 144 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.831 113.9 54.0 -63.1 -33.8 62.7 25.5 20.1 101 120 A Q H X S+ 0 0 22 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.902 110.9 45.6 -68.4 -40.0 62.0 28.5 17.8 102 121 A F H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.812 105.0 60.4 -74.4 -26.9 64.9 30.4 19.4 103 122 A K H X S+ 0 0 155 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.912 107.7 47.7 -63.7 -38.0 67.2 27.4 19.2 104 123 A K H >< S+ 0 0 103 -4,-1.4 3,-0.7 2,-0.2 4,-0.4 0.952 112.1 47.7 -64.6 -51.2 66.6 27.7 15.4 105 124 A H H >X S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.2 4,-1.2 0.902 107.1 57.7 -56.0 -44.3 67.2 31.4 15.4 106 125 A A H 3< S+ 0 0 57 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.3 53.4 -58.3 -31.5 70.4 30.9 17.4 107 126 A S T << S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.515 122.1 27.4 -83.7 -5.1 71.9 28.6 14.8 108 127 A R T <4 S+ 0 0 136 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.357 110.3 62.3-139.5 8.8 71.4 31.1 12.0 109 128 A E S < S- 0 0 66 -4,-1.2 -1,-0.0 -3,-0.1 5,-0.0 -0.887 90.5 -79.8-133.6 164.9 71.5 34.6 13.3 110 129 A D > - 0 0 96 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.399 39.5-131.1 -61.2 132.7 73.9 37.0 15.1 111 130 A P H > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.861 108.1 50.4 -56.7 -36.5 73.9 36.1 18.8 112 131 A E H > S+ 0 0 144 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.836 108.0 52.3 -72.2 -32.6 73.5 39.8 19.7 113 132 A K H > S+ 0 0 69 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.914 108.0 52.2 -68.0 -41.4 70.5 40.1 17.4 114 133 A V H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 109.0 50.0 -60.1 -41.0 68.9 37.1 19.0 115 134 A L H X S+ 0 0 110 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.842 106.8 55.3 -65.5 -34.0 69.4 38.8 22.4 116 135 A K H X S+ 0 0 61 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.909 108.0 48.7 -64.9 -41.9 67.8 41.9 21.0 117 136 A W H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 110.4 50.7 -61.9 -46.2 64.8 39.8 20.0 118 137 A R H X S+ 0 0 76 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.867 107.3 54.9 -58.9 -38.9 64.6 38.3 23.5 119 138 A Q H X S+ 0 0 89 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.907 108.0 48.0 -61.7 -44.1 64.8 41.8 25.1 120 139 A A H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.924 113.6 47.1 -63.5 -45.3 61.7 42.9 23.1 121 140 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.915 112.4 49.7 -62.8 -44.8 59.8 39.8 24.0 122 141 A T H < S+ 0 0 35 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.920 115.6 42.6 -60.7 -45.9 60.7 40.1 27.7 123 142 A N H >< S+ 0 0 70 -4,-2.5 3,-1.1 1,-0.2 4,-0.2 0.886 113.0 53.9 -68.0 -39.4 59.7 43.8 27.8 124 143 A F H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.919 102.8 56.5 -59.6 -47.3 56.6 43.1 25.8 125 144 A A T 3< S+ 0 0 17 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.566 101.5 59.5 -65.6 -7.2 55.4 40.4 28.2 126 145 A Q T < S+ 0 0 114 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 0.450 84.0 95.7-100.3 -1.9 55.6 42.9 31.1 127 146 A L S < S- 0 0 40 -3,-1.9 2,-0.3 -4,-0.2 -47,-0.0 -0.596 92.7 -94.7 -84.4 150.5 53.1 45.3 29.5 128 147 A S + 0 0 121 -2,-0.2 2,-0.2 -49,-0.1 -1,-0.1 -0.497 68.7 141.7 -66.6 126.6 49.5 45.0 30.6 129 148 A G - 0 0 37 -2,-0.3 2,-0.3 -49,-0.2 -47,-0.2 -0.693 43.9 -96.9-146.5-161.5 47.7 42.8 28.2 130 149 A D E -d 82 0A 24 -49,-2.3 -47,-3.1 -2,-0.2 2,-0.3 -0.958 20.3-145.0-133.2 150.9 45.1 40.1 27.5 131 150 A C E -d 83 0A 63 -2,-0.3 -47,-0.2 -49,-0.2 2,-0.1 -0.866 30.3-104.7-114.6 147.9 45.3 36.3 27.0 132 151 A S + 0 0 37 -49,-3.1 -47,-0.1 -2,-0.3 2,-0.1 -0.472 54.3 161.6 -67.4 140.1 43.2 34.2 24.7 133 152 A G - 0 0 53 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 -0.117 53.8 -41.1-130.3-131.6 40.6 32.3 26.8 134 153 A D S S+ 0 0 179 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.482 124.0 36.1 -87.3 -3.8 37.3 30.5 26.4 135 154 A D > - 0 0 63 1,-0.1 4,-1.7 2,-0.0 3,-0.4 -0.765 51.5-173.9-155.2 105.2 35.8 33.0 24.0 136 155 A D H > S+ 0 0 52 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.842 90.7 61.6 -64.6 -33.6 37.6 34.9 21.2 137 156 A S H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 105.8 46.2 -61.3 -37.2 34.5 36.9 20.5 138 157 A K H > S+ 0 0 143 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.890 111.4 51.8 -71.6 -39.0 34.6 38.3 24.0 139 158 A L H X S+ 0 0 15 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.910 109.9 49.7 -62.8 -42.1 38.3 39.0 23.7 140 159 A V H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.895 110.2 50.3 -63.7 -41.7 37.6 40.9 20.4 141 160 A D H X S+ 0 0 64 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 0.930 110.0 50.0 -63.3 -45.1 34.9 43.0 22.1 142 161 A K H X S+ 0 0 94 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.925 111.1 49.0 -59.6 -45.1 37.1 43.9 25.0 143 162 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.940 115.1 43.2 -60.1 -48.8 39.9 45.0 22.7 144 163 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.926 116.6 48.0 -63.2 -45.1 37.6 47.1 20.5 145 164 A N H X S+ 0 0 67 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.8 50.1 -61.0 -45.4 35.8 48.5 23.6 146 165 A E H < S+ 0 0 69 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.931 116.4 39.9 -60.5 -47.8 39.1 49.3 25.3 147 166 A I H >X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 3,-1.1 0.898 113.8 55.7 -68.6 -39.8 40.5 51.1 22.2 148 167 A S H 3< S+ 0 0 35 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.868 111.6 42.0 -60.0 -40.7 37.2 52.8 21.6 149 168 A N T 3< S+ 0 0 134 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.412 118.3 51.3 -86.1 2.3 37.0 54.3 25.1 150 169 A K T <4 S+ 0 0 90 -3,-1.1 -2,-0.2 -5,-0.2 2,-0.2 0.596 84.6 96.7-114.6 -16.3 40.7 55.1 24.7 151 170 A K < 0 0 71 -4,-1.6 -147,-0.0 -3,-0.1 -120,-0.0 -0.522 360.0 360.0 -81.0 145.5 40.9 57.0 21.4 152 171 A T 0 0 156 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.021 360.0 360.0 -66.7 360.0 40.9 60.8 21.3