==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-NOV-06 2O1M . COMPND 2 MOLECULE: PROBABLE AMINO-ACID ABC TRANSPORTER . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,C.X.CHEN,Y.FANG,K.CUNNINGHAM, . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 12.1 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 . 4 0.9 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 . 22 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 2 0 3 3 2 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 1 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 PARALLEL BRIDGES PER LADDER . 1 6 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 3 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 14 A K 0 0 247 0, 0.0 2,-0.2 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0-161.1 28.9 2.1 43.1 2 15 A V - 0 0 81 41,-0.1 2,-0.5 1,-0.0 41,-0.2 -0.508 360.0-145.4 -74.5 134.0 29.0 4.7 40.4 3 16 A Q E -a 43 0A 98 39,-2.6 41,-2.2 -2,-0.2 2,-0.4 -0.865 14.1-131.4-101.8 129.3 26.1 7.2 40.3 4 17 A T E -a 44 0A 76 -2,-0.5 2,-0.4 39,-0.2 41,-0.2 -0.668 20.9-163.3 -83.3 129.9 24.9 8.4 36.9 5 18 A I E -a 45 0A 1 39,-3.5 41,-3.0 -2,-0.4 2,-0.6 -0.946 10.1-142.8-115.3 132.2 24.6 12.2 36.5 6 19 A T E -a 46 0A 30 -2,-0.4 59,-2.8 39,-0.2 60,-1.6 -0.843 14.1-159.1 -98.4 122.2 22.6 13.8 33.7 7 20 A V E -ab 47 66A 0 39,-2.9 41,-2.3 -2,-0.6 2,-0.5 -0.882 3.4-152.3-104.8 122.0 24.1 17.0 32.3 8 21 A G E +ab 48 67A 0 58,-3.3 60,-2.4 -2,-0.6 2,-0.3 -0.807 35.1 136.5 -93.2 130.1 21.8 19.4 30.5 9 22 A T E -a 49 0A 1 39,-1.5 41,-1.7 -2,-0.5 2,-0.1 -0.895 41.4-101.9-155.3-177.2 23.6 21.5 27.9 10 23 A G - 0 0 4 58,-0.4 41,-0.1 -2,-0.3 3,-0.0 -0.453 2.0-148.9-110.8-176.2 23.3 22.9 24.3 11 24 A T S S+ 0 0 51 39,-0.2 8,-0.8 -2,-0.1 7,-0.1 0.227 89.1 64.6-132.7 8.0 24.6 22.3 20.8 12 25 A Q E +E 18 0B 172 6,-0.2 6,-0.2 1,-0.1 40,-0.0 -0.069 69.5 97.9-127.1 34.9 24.4 25.8 19.5 13 26 A F E >> S-E 17 0B 42 4,-2.5 4,-2.7 -3,-0.0 3,-2.3 -0.821 71.8-133.5-125.2 88.9 27.0 27.8 21.6 14 27 A P T 34 S+ 0 0 45 0, 0.0 157,-0.1 0, 0.0 158,-0.1 -0.098 85.7 3.6 -46.5 132.1 30.3 28.0 19.6 15 28 A N T 34 S+ 0 0 10 1,-0.1 13,-2.8 156,-0.1 12,-0.1 0.342 132.5 58.3 72.6 -4.9 33.4 27.2 21.7 16 29 A I T <4 S- 0 0 0 -3,-2.3 14,-1.5 11,-0.3 13,-0.8 0.723 125.8 -13.8-115.8 -56.0 31.2 26.3 24.7 17 30 A C E < S+E 13 0B 0 -4,-2.7 -4,-2.5 12,-0.2 2,-0.3 -0.748 91.3 119.7-156.2 101.1 28.8 23.5 23.7 18 31 A F E -EF 12 26B 23 8,-2.1 8,-3.0 -2,-0.2 2,-0.6 -0.953 61.3 -99.0-156.0 170.6 28.5 22.8 20.0 19 32 A I E - F 0 25B 81 -8,-0.8 6,-0.2 -2,-0.3 2,-0.1 -0.886 38.2-148.3-102.5 122.2 29.0 20.2 17.3 20 33 A D > - 0 0 44 4,-2.1 3,-1.7 -2,-0.6 4,-0.1 -0.269 34.0 -92.7 -82.7 175.2 32.2 20.5 15.4 21 34 A E T 3 S+ 0 0 202 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.830 125.0 63.2 -55.5 -35.4 32.8 19.5 11.8 22 35 A K T 3 S- 0 0 184 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.789 119.3-112.5 -61.1 -27.3 33.9 16.0 12.9 23 36 A G S < S+ 0 0 52 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.654 72.9 120.7 104.5 18.6 30.4 15.6 14.2 24 37 A D - 0 0 79 -4,-0.1 -4,-2.1 -6,-0.0 2,-0.4 -0.884 66.1-107.8-121.2 152.1 30.9 15.5 18.0 25 38 A L E +F 19 0B 31 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.578 60.1 134.5 -71.3 123.4 29.7 17.6 20.9 26 39 A T E +F 18 0B 9 -8,-3.0 -8,-2.1 -2,-0.4 4,-0.2 -0.799 4.0 117.2-153.0-165.8 32.5 19.7 22.3 27 40 A G S > S- 0 0 0 -2,-0.2 4,-2.9 -10,-0.2 -11,-0.3 -0.425 77.6 -58.7 114.9 165.8 33.5 23.2 23.5 28 41 A Y H > S+ 0 0 2 -13,-2.8 4,-2.1 1,-0.2 -12,-0.2 0.877 131.8 43.8 -48.5 -53.6 34.7 24.5 26.9 29 42 A D H > S+ 0 0 0 -13,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.920 116.1 46.9 -62.9 -45.1 31.7 23.5 29.0 30 43 A V H > S+ 0 0 1 -14,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.936 114.0 47.3 -63.7 -46.8 31.5 20.0 27.5 31 44 A E H X S+ 0 0 54 -4,-2.9 4,-2.0 -15,-0.3 -1,-0.2 0.856 110.8 52.3 -65.5 -32.8 35.2 19.4 27.8 32 45 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.918 107.9 51.3 -68.3 -41.0 35.2 20.6 31.4 33 46 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.915 110.6 49.3 -60.5 -42.6 32.3 18.2 32.2 34 47 A K H X S+ 0 0 91 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.882 109.9 51.3 -64.7 -36.6 34.3 15.4 30.7 35 48 A E H X S+ 0 0 29 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.927 108.7 50.8 -65.7 -43.9 37.4 16.4 32.7 36 49 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.883 105.7 57.2 -59.0 -39.9 35.3 16.4 36.0 37 50 A D H >< S+ 0 0 46 -4,-2.0 3,-0.9 1,-0.2 6,-0.2 0.935 105.9 49.2 -56.7 -48.2 34.1 12.9 35.1 38 51 A K H 3< S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.4 49.4 -60.2 -33.4 37.7 11.7 34.9 39 52 A R H 3< S+ 0 0 62 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.603 105.1 61.6 -82.7 -13.6 38.3 13.4 38.3 40 53 A L X< + 0 0 20 -4,-1.1 3,-1.8 -3,-0.9 -1,-0.2 -0.776 56.4 178.5-120.6 89.0 35.3 11.8 40.0 41 54 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.767 81.6 58.2 -57.6 -28.6 35.4 8.0 40.1 42 55 A H T 3 S+ 0 0 139 -40,-0.1 -39,-2.6 -38,-0.0 2,-0.3 0.473 103.7 62.2 -84.3 0.8 32.1 7.7 42.0 43 56 A Y E < -a 3 0A 19 -3,-1.8 2,-0.4 -6,-0.2 -39,-0.2 -0.886 59.5-159.8-126.0 156.8 30.2 9.6 39.3 44 57 A K E -a 4 0A 111 -41,-2.2 -39,-3.5 -2,-0.3 2,-0.5 -0.972 16.9-149.5-135.2 115.9 29.4 9.0 35.6 45 58 A F E +a 5 0A 11 -2,-0.4 2,-0.3 -41,-0.2 -39,-0.2 -0.783 18.3 177.1 -93.9 123.9 28.4 12.1 33.6 46 59 A T E -a 6 0A 45 -41,-3.0 -39,-2.9 -2,-0.5 2,-0.3 -0.813 22.4-121.4-117.9 161.8 26.0 11.6 30.6 47 60 A F E -a 7 0A 69 -2,-0.3 2,-0.3 -41,-0.2 -39,-0.2 -0.787 22.2-179.7-112.0 152.4 24.6 14.3 28.4 48 61 A K E -a 8 0A 91 -41,-2.3 -39,-1.5 -2,-0.3 2,-0.3 -0.919 20.1-159.4-144.2 108.9 21.1 15.5 27.5 49 62 A T E +a 9 0A 69 -2,-0.3 2,-0.3 -41,-0.2 -39,-0.2 -0.684 21.1 149.0 -97.3 151.8 21.0 18.4 25.0 50 63 A X - 0 0 42 -41,-1.7 -39,-0.2 -2,-0.3 5,-0.1 -0.978 51.5 -62.6-166.6 169.5 18.1 20.8 24.4 51 64 A E >> - 0 0 136 -2,-0.3 3,-2.2 1,-0.1 4,-0.6 -0.317 51.5-117.3 -60.6 144.9 17.1 24.3 23.4 52 65 A F H >> S+ 0 0 90 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.855 112.6 64.9 -54.2 -35.9 18.5 26.8 25.9 53 66 A S H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.523 103.5 46.7 -67.5 -5.1 14.9 27.8 26.8 54 67 A N H <> S+ 0 0 86 -3,-2.2 4,-2.3 2,-0.1 -1,-0.2 0.514 86.3 89.0-113.7 -7.3 14.3 24.4 28.2 55 68 A L H S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 113.4 48.7 -65.7 -40.3 12.6 24.0 33.4 58 71 A S H <>S+ 0 0 10 -4,-2.3 5,-2.8 2,-0.2 6,-0.8 0.907 110.8 49.4 -64.3 -42.5 14.3 20.6 32.8 59 72 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.911 110.8 50.3 -64.0 -42.9 16.6 21.2 35.8 60 73 A G H 3<5S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.0 49.0 -63.7 -37.0 13.7 22.1 38.0 61 74 A Q T 3<5S- 0 0 111 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.424 115.3-120.4 -81.8 1.7 11.8 19.0 37.0 62 75 A H T < 5S+ 0 0 69 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.750 74.1 134.2 65.2 25.3 14.9 17.1 37.7 63 76 A K S - 0 0 38 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.945 46.7-107.9-162.1 160.1 20.6 36.0 39.4 75 88 A K H > S+ 0 0 169 -2,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.938 119.1 47.1 -61.6 -47.5 18.1 36.6 42.3 76 89 A E H >> S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.935 112.1 49.3 -59.0 -50.8 15.4 34.5 40.6 77 90 A R H 3> S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.873 106.3 55.4 -59.0 -41.0 17.7 31.6 39.8 78 91 A E H 3< S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.730 104.3 55.6 -67.2 -21.4 19.2 31.4 43.3 79 92 A K H << S+ 0 0 135 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.846 119.9 29.9 -77.4 -34.4 15.7 31.0 44.7 80 93 A K H < S+ 0 0 145 -4,-1.2 118,-0.4 -3,-0.3 2,-0.2 0.632 123.7 33.0-100.2 -17.3 14.9 28.0 42.5 81 94 A F < - 0 0 16 -4,-2.6 2,-0.3 -5,-0.2 116,-0.2 -0.798 69.7-115.7-135.5 176.0 18.4 26.4 42.0 82 95 A L E -D 196 0A 23 114,-2.2 114,-3.0 -2,-0.2 2,-0.4 -0.865 20.8-157.7-111.9 148.0 21.8 25.8 43.6 83 96 A F E -D 195 0A 28 -2,-0.3 112,-0.2 112,-0.2 121,-0.0 -0.971 22.1-119.5-123.5 138.9 25.1 27.1 42.3 84 97 A N - 0 0 2 110,-1.2 121,-0.1 -2,-0.4 120,-0.0 -0.292 24.1-120.7 -70.8 166.3 28.4 25.5 43.0 85 98 A K S S+ 0 0 172 119,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.801 90.7 74.1 -79.3 -31.7 30.9 27.7 44.9 86 99 A V S S- 0 0 31 2,-0.0 108,-0.2 108,-0.0 2,-0.1 -0.759 73.4-144.7 -92.8 106.5 33.8 27.7 42.4 87 100 A A - 0 0 29 -2,-0.8 106,-0.2 1,-0.1 3,-0.1 -0.459 8.1-161.9 -64.5 135.5 33.2 29.9 39.3 88 101 A Y + 0 0 4 104,-1.7 2,-0.3 1,-0.1 -1,-0.1 0.370 64.9 2.4-104.3 6.0 34.8 28.1 36.4 89 102 A N E -G 192 0C 8 103,-0.8 103,-2.7 2,-0.0 2,-0.3 -0.977 60.1-126.4-173.9 168.2 34.9 31.1 34.1 90 103 A H E -G 191 0C 69 -2,-0.3 101,-0.2 101,-0.2 100,-0.2 -0.903 21.3-137.9-122.2 154.0 34.3 34.8 33.6 91 104 A F E -G 190 0C 31 99,-2.1 99,-0.6 -2,-0.3 2,-0.2 -0.685 20.4-165.0-117.9 78.9 32.1 36.2 30.7 92 105 A P E -G 189 0C 0 0, 0.0 2,-0.4 0, 0.0 97,-0.2 -0.425 2.4-163.7 -68.1 132.8 33.8 39.3 29.3 93 106 A L E +G 188 0C 8 95,-2.1 94,-3.0 -2,-0.2 95,-0.8 -0.951 11.8 173.3-117.4 134.9 31.7 41.5 27.1 94 107 A K E - H 0 164C 32 70,-3.0 70,-2.5 -2,-0.4 90,-0.1 -0.975 41.8 -92.8-139.8 153.2 33.1 44.1 24.7 95 108 A I E -GH 183 163C 2 88,-0.6 88,-2.1 90,-0.4 2,-0.4 -0.411 48.6-155.9 -60.2 139.7 31.8 46.5 22.0 96 109 A T E +GH 182 162C 0 66,-3.0 66,-2.3 86,-0.2 2,-0.2 -0.983 17.0 170.8-129.4 135.7 32.3 44.6 18.7 97 110 A V E -G 181 0C 0 84,-2.8 84,-2.1 -2,-0.4 64,-0.1 -0.804 44.3 -68.2-135.0 175.6 32.7 46.0 15.2 98 111 A L E > -G 180 0C 37 62,-0.4 3,-2.1 -2,-0.2 82,-0.3 -0.430 52.7-118.0 -63.7 138.5 33.5 45.2 11.6 99 112 A Q T 3 S+ 0 0 99 80,-2.8 81,-0.1 1,-0.3 -1,-0.1 0.853 112.3 46.2 -50.5 -40.6 37.2 44.3 11.5 100 113 A N T 3 S+ 0 0 120 79,-0.3 2,-0.6 2,-0.0 -1,-0.3 0.446 85.7 108.3 -85.9 2.7 38.1 47.2 9.1 101 114 A N < + 0 0 31 -3,-2.1 3,-0.1 1,-0.1 -4,-0.1 -0.698 34.6 167.7 -81.4 120.0 36.1 49.8 11.1 102 115 A D + 0 0 133 -2,-0.6 -1,-0.1 1,-0.1 -3,-0.0 0.235 55.0 87.8-115.3 13.3 38.5 52.2 12.8 103 116 A T S S+ 0 0 86 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.619 78.0 68.8 -87.2 -12.4 36.0 54.9 13.9 104 117 A I + 0 0 7 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.923 43.7 169.2-117.2 118.4 35.0 53.3 17.2 105 118 A R S S- 0 0 189 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.648 70.4 -38.9 -94.7 -20.0 37.4 53.0 20.2 106 119 A G S > S- 0 0 2 78,-0.1 3,-2.2 77,-0.1 -1,-0.3 -0.977 82.8 -54.7 177.4-174.6 34.8 51.9 22.7 107 120 A I G > S+ 0 0 4 -2,-0.3 3,-0.8 1,-0.3 77,-0.0 0.719 123.7 65.8 -58.3 -21.2 31.2 52.4 23.9 108 121 A E G 3 S+ 0 0 126 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.620 90.8 63.8 -76.5 -15.2 31.9 56.1 24.3 109 122 A D G < S+ 0 0 36 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.022 76.6 92.0 -97.6 28.3 32.3 56.6 20.5 110 123 A L X + 0 0 1 -3,-0.8 3,-2.5 3,-0.1 2,-0.2 0.190 43.2 144.5-110.1 19.8 28.7 55.6 19.6 111 124 A K T 3 S+ 0 0 166 -3,-0.4 27,-0.2 1,-0.3 3,-0.1 -0.400 83.6 2.2 -59.5 119.2 27.0 59.0 19.6 112 125 A G T 3 S+ 0 0 71 25,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.528 109.0 121.2 81.0 6.5 24.4 58.8 16.8 113 126 A K < - 0 0 48 -3,-2.5 26,-2.8 24,-0.2 2,-0.5 -0.536 61.2-118.7-103.1 168.5 25.2 55.2 15.9 114 127 A R E -i 139 0D 29 24,-0.2 46,-2.8 -2,-0.2 47,-1.4 -0.922 20.4-164.9-111.7 126.5 23.2 52.0 15.8 115 128 A V E -ij 140 161D 0 24,-3.5 26,-3.6 -2,-0.5 2,-0.4 -0.948 7.6-155.3-113.2 122.5 24.0 49.0 18.0 116 129 A I E +i 141 0D 0 45,-2.4 47,-0.5 -2,-0.5 2,-0.3 -0.783 25.5 149.0 -99.9 138.9 22.4 45.6 17.2 117 130 A T E -i 142 0D 4 24,-2.5 26,-1.9 -2,-0.4 2,-0.6 -0.946 49.1 -81.0-156.5 174.9 22.0 42.9 19.8 118 131 A S - 0 0 39 -2,-0.3 6,-0.4 24,-0.2 3,-0.3 -0.775 32.2-139.6 -89.6 119.6 19.9 40.0 21.0 119 132 A A S S+ 0 0 67 -2,-0.6 -1,-0.1 24,-0.4 25,-0.0 0.716 102.0 42.2 -47.8 -27.2 16.7 41.0 22.9 120 133 A T S S+ 0 0 126 4,-0.0 -1,-0.2 5,-0.0 5,-0.1 0.858 91.4 104.0 -90.4 -39.8 17.3 38.2 25.4 121 134 A S S > S- 0 0 37 -3,-0.3 4,-0.8 1,-0.1 -4,-0.0 0.184 73.6-127.1 -43.2 157.0 21.0 38.4 26.0 122 135 A N H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.732 111.5 63.7 -78.0 -24.9 22.7 39.8 29.0 123 136 A G H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 96.1 58.2 -65.8 -35.0 24.8 42.0 26.7 124 137 A A H > S+ 0 0 4 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.894 107.9 45.7 -61.0 -39.6 21.5 43.6 25.6 125 138 A L H X S+ 0 0 104 -4,-0.8 4,-3.0 2,-0.2 5,-0.2 0.903 109.7 54.5 -70.1 -42.1 20.9 44.6 29.3 126 139 A V H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.940 111.4 45.3 -55.3 -50.2 24.5 45.8 29.7 127 140 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.935 113.1 50.4 -58.3 -50.8 24.1 48.1 26.6 128 141 A K H X S+ 0 0 94 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.910 110.3 48.5 -55.8 -49.1 20.7 49.4 27.8 129 142 A K H X S+ 0 0 137 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.927 115.0 44.6 -60.6 -45.3 21.9 50.3 31.3 130 143 A W H X S+ 0 0 62 -4,-2.2 4,-0.8 -5,-0.2 6,-0.2 0.946 113.7 49.7 -64.8 -47.2 24.9 52.1 30.0 131 144 A N H ><>S+ 0 0 10 -4,-3.1 5,-2.9 1,-0.2 3,-0.7 0.900 111.5 50.2 -58.1 -42.0 22.9 53.9 27.3 132 145 A E H ><5S+ 0 0 109 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.857 111.1 48.0 -65.5 -36.8 20.3 54.9 29.9 133 146 A D H 3<5S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.516 112.1 50.2 -83.9 -4.2 22.9 56.3 32.3 134 147 A N T <<5S- 0 0 81 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.077 123.7 -85.9-123.9 27.4 24.8 58.3 29.6 135 148 A G T < 5 - 0 0 68 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.685 65.6 -86.7 81.3 18.5 22.1 60.3 27.8 136 149 A R < + 0 0 173 -5,-2.9 -1,-0.2 -6,-0.2 -4,-0.1 0.919 62.1 173.3 46.5 56.9 21.1 57.6 25.3 137 150 A P + 0 0 26 0, 0.0 -25,-3.0 0, 0.0 2,-0.2 0.805 59.2 39.0 -64.9 -27.6 23.8 58.6 22.8 138 151 A F S S- 0 0 8 -27,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.749 80.8-111.5-123.3 169.1 23.1 55.6 20.6 139 152 A E E -i 114 0D 115 -26,-2.8 -24,-3.5 -2,-0.2 2,-0.5 -0.851 23.1-148.8-101.1 129.3 20.2 53.5 19.2 140 153 A I E -i 115 0D 29 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.855 17.4-172.1 -98.0 126.3 19.9 49.9 20.4 141 154 A A E -i 116 0D 11 -26,-3.6 -24,-2.5 -2,-0.5 2,-0.4 -0.915 11.8-142.7-118.7 147.2 18.3 47.6 17.8 142 155 A Y E -i 117 0D 106 -2,-0.4 -24,-0.2 -26,-0.2 2,-0.2 -0.879 11.8-133.3-112.0 140.0 17.3 44.0 18.3 143 156 A E + 0 0 66 -26,-1.9 -24,-0.4 -2,-0.4 4,-0.0 -0.533 35.7 151.7 -85.7 156.7 17.6 41.1 15.8 144 157 A G + 0 0 69 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.467 49.3 76.7-155.4 -26.8 14.7 38.8 15.0 145 158 A Q S S- 0 0 182 1,-0.2 2,-0.2 2,-0.0 -2,-0.0 0.947 99.1 -48.0 -58.5 -95.3 14.8 37.4 11.5 146 159 A G S > S- 0 0 47 1,-0.2 3,-0.9 0, 0.0 -1,-0.2 -0.696 71.1 -56.5-134.7-173.2 17.5 34.6 11.4 147 160 A A T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 -0.103 112.3 32.0 -64.9 165.4 21.1 33.8 12.3 148 161 A N T 3> S+ 0 0 109 1,-0.1 4,-2.6 3,-0.1 -1,-0.2 0.572 78.3 128.6 63.0 9.9 24.1 35.9 11.1 149 162 A E H <> S+ 0 0 25 -3,-0.9 4,-1.9 1,-0.2 5,-0.2 0.878 70.3 49.9 -62.5 -39.3 21.8 39.0 11.2 150 163 A T H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 112.2 46.5 -65.0 -48.3 24.3 40.9 13.3 151 164 A A H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.930 111.8 51.3 -60.0 -46.8 27.2 40.1 11.0 152 165 A N H X S+ 0 0 88 -4,-2.6 4,-2.1 1,-0.2 6,-0.2 0.881 111.4 47.4 -59.3 -39.8 25.2 40.9 7.9 153 166 A Q H X>S+ 0 0 28 -4,-1.9 6,-2.2 2,-0.2 4,-1.8 0.846 111.0 50.7 -71.9 -33.5 24.2 44.3 9.4 154 167 A L H <5S+ 0 0 5 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.918 110.6 51.3 -67.3 -42.2 27.8 45.1 10.4 155 168 A K H <5S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 114.4 41.2 -60.4 -46.6 29.0 44.2 6.9 156 169 A S H <5S- 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.788 110.8-118.1 -74.1 -27.5 26.4 46.5 5.2 157 170 A G T <5S+ 0 0 43 -4,-1.8 -3,-0.2 2,-0.2 -4,-0.1 0.278 82.6 121.6 104.6 -8.7 26.9 49.3 7.7 158 171 A R S > - 0 0 5 -2,-0.3 4,-1.7 -72,-0.2 3,-0.8 -0.774 36.3-115.8-103.9 150.3 32.5 38.1 24.0 166 179 A P H 3> S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.844 113.3 54.0 -55.0 -36.5 36.0 37.5 22.6 167 180 A F H 3> S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.822 107.3 51.3 -71.6 -25.8 35.6 33.8 22.0 168 181 A A H <> S+ 0 0 37 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.861 109.3 50.5 -75.5 -35.2 32.4 34.4 20.0 169 182 A V H X S+ 0 0 11 -4,-1.7 4,-2.1 2,-0.2 11,-0.3 0.865 107.9 53.9 -68.9 -35.6 34.3 36.8 17.8 170 183 A D H X S+ 0 0 98 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.917 109.3 47.1 -66.0 -41.5 37.0 34.3 17.3 171 184 A F H X S+ 0 0 49 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.904 109.1 55.0 -66.6 -40.2 34.6 31.7 16.1 172 185 A Q H X S+ 0 0 31 -4,-2.0 4,-1.3 1,-0.2 3,-0.4 0.928 109.7 46.7 -55.9 -48.4 32.9 34.2 13.7 173 186 A N H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.4 51.1 -65.1 -34.9 36.2 35.0 12.1 174 187 A K H < S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.711 121.5 31.4 -77.3 -20.0 37.2 31.3 11.7 175 188 A T H < S+ 0 0 80 -4,-1.4 2,-0.3 -3,-0.4 -2,-0.2 0.407 115.0 54.5-118.5 0.3 33.9 30.4 10.0 176 189 A S < - 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