==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-SEP-13 4MNR . COMPND 2 MOLECULE: PEPTIDOGLYCAN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EGGERTHELLA LENTA; . AUTHOR Y.KIM,R.WU,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 417 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 2 1 1 1 0 2 1 1 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 2 2 4 0 2 1 0 1 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 . 5 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 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 20 A A 0 0 111 0, 0.0 26,-1.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -27.4 -7.6 14.8 60.4 2 21 A R + 0 0 231 24,-0.1 2,-0.3 2,-0.1 0, 0.0 0.710 360.0 54.8 -96.6 -25.1 -10.8 16.4 61.6 3 22 A S S S- 0 0 52 62,-0.1 2,-0.7 24,-0.1 24,-0.1 -0.784 89.9 -92.1-118.4 158.2 -12.7 17.3 58.4 4 23 A E - 0 0 72 -2,-0.3 63,-3.0 63,-0.1 2,-0.1 -0.530 36.4-141.3 -74.0 109.3 -13.9 15.4 55.3 5 24 A R - 0 0 27 -2,-0.7 14,-0.5 61,-0.2 57,-0.2 -0.424 33.3-100.6 -61.7 141.0 -11.3 15.6 52.5 6 25 A G - 0 0 1 55,-2.8 63,-0.2 62,-0.2 2,-0.2 -0.112 36.1-106.0 -64.5 162.3 -13.1 16.0 49.2 7 26 A T - 0 0 30 60,-0.2 63,-3.1 11,-0.1 2,-0.4 -0.522 18.2-147.8 -86.6 156.0 -13.6 13.1 46.7 8 27 A I E +Ab 17 70A 0 9,-2.1 8,-2.9 61,-0.2 9,-1.8 -0.998 29.3 166.7-119.7 129.9 -11.8 12.6 43.4 9 28 A A E -Ab 15 71A 12 61,-2.0 63,-3.1 -2,-0.4 6,-0.2 -0.956 35.2-105.7-142.3 156.2 -13.8 10.9 40.7 10 29 A T > - 0 0 2 4,-2.5 3,-1.8 -2,-0.3 65,-0.2 -0.258 43.6-100.4 -73.3 170.0 -13.7 10.2 36.9 11 30 A Y T 3 S+ 0 0 145 63,-2.6 64,-0.2 1,-0.3 -1,-0.1 0.842 125.1 52.4 -64.2 -31.2 -15.9 12.2 34.5 12 31 A D T 3 S- 0 0 72 62,-0.7 -1,-0.3 2,-0.1 63,-0.1 0.309 126.5 -99.6 -90.6 9.7 -18.4 9.3 34.4 13 32 A G < + 0 0 51 -3,-1.8 2,-0.6 1,-0.3 -2,-0.1 0.559 68.4 149.1 95.5 10.9 -18.6 9.3 38.1 14 33 A V - 0 0 50 1,-0.0 -4,-2.5 2,-0.0 2,-0.4 -0.692 46.3-130.2 -78.7 118.3 -16.3 6.4 39.3 15 34 A V E +A 9 0A 44 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.563 29.9 175.8 -72.6 124.3 -15.0 7.5 42.7 16 35 A L E S+ 0 0 3 -8,-2.9 17,-0.4 -2,-0.4 2,-0.3 0.689 70.1 9.3 -99.8 -26.4 -11.2 7.1 42.9 17 36 A A E +A 8 0A 0 -9,-1.8 -9,-2.1 14,-0.2 -1,-0.3 -0.973 65.6 157.7-155.3 139.9 -10.7 8.5 46.4 18 37 A R E -E 30 0B 92 12,-2.2 12,-3.6 -2,-0.3 2,-0.4 -0.964 33.2-120.8-153.1 164.7 -13.0 9.5 49.3 19 38 A S E -E 29 0B 13 -14,-0.5 2,-0.4 -2,-0.3 10,-0.2 -0.944 22.4-161.7-113.7 137.6 -12.9 10.0 53.0 20 39 A V E -E 28 0B 57 8,-2.3 8,-1.9 -2,-0.4 2,-0.3 -0.957 23.8-116.3-120.5 134.8 -15.1 8.1 55.4 21 40 A K E -E 27 0B 131 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.545 37.0-146.1 -73.4 128.4 -15.9 9.1 59.0 22 41 A E > - 0 0 84 4,-4.6 3,-1.0 -2,-0.3 -1,-0.1 -0.033 28.7 -87.3 -85.0-174.4 -14.6 6.5 61.4 23 42 A E T 3 S+ 0 0 198 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.962 126.5 46.7 -54.5 -57.8 -15.7 5.1 64.7 24 43 A D T 3 S- 0 0 127 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.300 124.8 -99.6 -75.8 10.0 -14.0 7.8 66.8 25 44 A G S < S+ 0 0 38 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.468 86.1 127.1 85.4 1.7 -15.3 10.5 64.5 26 45 A T - 0 0 44 -5,-0.1 -4,-4.6 1,-0.0 2,-0.4 -0.341 56.9-119.8 -83.1 169.6 -12.0 10.7 62.6 27 46 A Y E -E 21 0B 54 -26,-1.2 2,-0.4 -6,-0.3 -6,-0.2 -0.922 22.1-169.4-115.7 141.8 -11.7 10.5 58.9 28 47 A E E -E 20 0B 111 -8,-1.9 -8,-2.3 -2,-0.4 2,-0.3 -0.974 25.5-116.3-128.6 143.8 -9.7 7.9 56.8 29 48 A R E -E 19 0B 38 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.605 28.8-164.5 -81.5 132.0 -8.9 8.0 53.1 30 49 A E E -E 18 0B 81 -12,-3.6 -12,-2.2 -2,-0.3 84,-0.0 -0.948 14.4-164.9-116.9 142.0 -10.4 5.2 51.0 31 50 A Y > + 0 0 13 -2,-0.4 3,-0.7 -14,-0.2 84,-0.4 -0.815 17.5 171.0-121.4 86.6 -9.4 4.2 47.4 32 51 A P T 3 + 0 0 57 0, 0.0 -16,-0.1 0, 0.0 -15,-0.1 0.407 57.1 74.6 -88.4 4.8 -12.2 2.1 46.2 33 52 A A T > S- 0 0 27 -17,-0.4 3,-2.0 1,-0.3 5,-0.1 0.073 84.1-139.1-108.0 24.9 -11.4 1.6 42.5 34 53 A G T < S- 0 0 32 -3,-0.7 80,-2.0 1,-0.3 81,-0.3 -0.336 74.7 -15.8 63.4-127.3 -8.5 -0.8 42.7 35 54 A D T > S+ 0 0 54 78,-0.3 3,-1.2 79,-0.1 2,-0.4 0.232 92.3 137.7 -97.9 17.7 -5.8 0.0 40.2 36 55 A L T < S- 0 0 14 -3,-2.0 5,-0.1 1,-0.3 -3,-0.1 -0.491 89.3 -24.1 -68.9 115.2 -7.9 2.4 38.1 37 56 A A T 3> S+ 0 0 4 -2,-0.4 4,-2.7 42,-0.1 3,-0.3 0.788 84.9 163.9 53.0 37.1 -5.7 5.5 37.3 38 57 A S H <> + 0 0 1 -3,-1.2 4,-2.2 1,-0.2 -2,-0.1 0.870 69.8 47.3 -53.5 -46.5 -3.5 4.8 40.4 39 58 A H H 4 S+ 0 0 19 -4,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.866 114.7 47.8 -66.6 -35.3 -0.6 7.1 39.3 40 59 A V H 4 S+ 0 0 2 -3,-0.3 13,-2.5 66,-0.3 -2,-0.2 0.939 112.9 45.9 -69.1 -47.9 -3.0 9.9 38.4 41 60 A V H < S- 0 0 1 -4,-2.7 13,-2.0 11,-0.2 -2,-0.2 0.926 90.9-176.7 -64.5 -42.2 -5.0 9.8 41.6 42 61 A G < - 0 0 2 -4,-2.2 2,-0.3 -5,-0.3 10,-0.2 -0.301 24.3 -81.6 74.2-165.4 -2.0 9.6 43.9 43 62 A Y - 0 0 34 8,-0.1 8,-1.6 -4,-0.1 2,-0.4 -0.943 21.1-150.9-136.7 158.1 -2.2 9.2 47.6 44 63 A S E +F 50 0C 16 -2,-0.3 6,-0.2 6,-0.2 -15,-0.2 -0.971 30.5 158.0-131.4 117.6 -2.7 11.4 50.6 45 64 A S E > -F 49 0C 14 4,-2.3 4,-1.9 -2,-0.4 -2,-0.1 -1.000 45.5-142.9-144.9 137.3 -1.1 10.2 53.9 46 65 A P T 4 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.643 110.5 40.6 -71.7 -13.6 0.0 11.8 57.1 47 66 A Q T 4 S+ 0 0 156 2,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.833 128.0 25.7 -96.6 -45.4 3.0 9.4 57.0 48 67 A F T 4 S- 0 0 64 1,-0.3 2,-0.2 0, 0.0 -5,-0.1 0.446 95.5-137.9-105.9 -3.5 4.0 9.4 53.4 49 68 A G E < -F 45 0C 32 -4,-1.9 -4,-2.3 2,-0.0 -1,-0.3 -0.536 38.1 -52.8 81.7-148.1 2.8 12.8 52.2 50 69 A N E +F 44 0C 57 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.874 42.7 172.9-131.0 160.8 1.0 13.2 48.8 51 70 A S >> + 0 0 25 -8,-1.6 4,-1.2 -2,-0.3 3,-0.6 -0.939 52.9 10.8-150.8 174.6 1.4 12.5 45.1 52 71 A G H 3> S- 0 0 17 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.175 124.8 -19.1 57.9-142.4 -0.7 12.8 41.9 53 72 A I H 3> S+ 0 0 0 -13,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.857 134.9 64.6 -69.0 -33.6 -4.0 14.7 42.1 54 73 A E H <4 S+ 0 0 0 -13,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.863 112.3 36.8 -55.1 -37.7 -4.1 14.3 45.9 55 74 A K H >< S+ 0 0 137 -4,-1.2 3,-1.5 -3,-0.4 4,-0.3 0.932 116.9 49.1 -76.9 -52.3 -0.9 16.5 45.9 56 75 A A H 3< S+ 0 0 45 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.842 124.5 30.3 -62.0 -35.6 -1.7 18.9 43.0 57 76 A Y T 3X S+ 0 0 53 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.3 0.038 82.2 124.1-113.3 25.8 -5.2 19.7 44.3 58 77 A N H <> S+ 0 0 32 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.882 71.7 53.3 -52.4 -45.5 -4.4 19.2 48.0 59 78 A D H > S+ 0 0 127 -4,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.897 113.5 40.9 -61.5 -42.7 -5.6 22.7 49.0 60 79 A T H 4 S+ 0 0 42 -3,-0.3 8,-2.9 1,-0.2 -1,-0.2 0.874 117.3 48.8 -73.4 -35.8 -9.0 22.4 47.3 61 80 A L H < S+ 0 0 0 -4,-2.6 -55,-2.8 6,-0.2 6,-0.3 0.848 109.9 52.2 -72.0 -34.6 -9.4 18.8 48.6 62 81 A K H < 0 0 102 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.920 360.0 360.0 -67.6 -48.0 -8.5 19.6 52.2 63 82 A G < 0 0 59 -4,-1.5 4,-0.2 -5,-0.2 -1,-0.2 -0.459 360.0 360.0 76.1 360.0 -10.9 22.5 52.6 64 ! 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 65 101 A T 0 0 152 0, 0.0 -62,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.3 -15.9 22.6 56.8 66 102 A A - 0 0 36 -3,-0.1 244,-0.3 1,-0.1 -61,-0.2 -0.095 360.0-110.3 -60.7 158.8 -15.5 19.8 54.2 67 103 A G - 0 0 2 -63,-3.0 -6,-0.2 -6,-0.3 2,-0.2 -0.288 39.2 -90.4 -81.3 175.4 -13.1 20.0 51.3 68 104 A N - 0 0 38 -8,-2.9 2,-0.4 -62,-0.2 241,-0.2 -0.564 33.5-118.2 -92.4 153.1 -14.2 20.3 47.7 69 105 A D E - C 0 308A 50 239,-3.1 239,-2.5 -63,-0.2 2,-0.5 -0.742 23.2-148.5 -94.1 136.3 -14.8 17.4 45.3 70 106 A V E -bC 8 307A 1 -63,-3.1 -61,-2.0 -2,-0.4 2,-0.5 -0.906 5.3-160.2-110.4 125.6 -12.6 17.1 42.2 71 107 A T E -bC 9 306A 33 235,-2.8 234,-2.5 -2,-0.5 235,-1.6 -0.924 12.8-152.0-106.4 121.9 -14.0 15.7 38.9 72 108 A L E - C 0 304A 0 -63,-3.1 232,-0.3 -2,-0.5 231,-0.1 -0.376 22.2-123.0 -85.4 167.6 -11.4 14.5 36.4 73 109 A T S S+ 0 0 9 230,-2.2 231,-0.1 -63,-0.1 -63,-0.1 0.568 73.9 118.6 -80.9 -12.7 -11.6 14.3 32.6 74 110 A L - 0 0 0 229,-0.4 -63,-2.6 -65,-0.1 -62,-0.7 -0.223 57.3-144.6 -61.9 141.5 -10.9 10.6 32.6 75 111 A N > - 0 0 29 29,-2.6 4,-2.8 -64,-0.2 5,-0.2 -0.933 12.1-141.7-100.9 128.3 -13.5 8.1 31.3 76 112 A S H > S+ 0 0 19 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.847 98.1 48.1 -62.5 -32.3 -13.4 4.9 33.4 77 113 A K H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 114.4 44.3 -76.3 -39.8 -13.9 2.6 30.4 78 114 A I H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 113.3 53.2 -68.2 -40.0 -11.3 4.2 28.2 79 115 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 25,-0.3 -2,-0.2 0.930 108.9 48.8 -59.1 -43.5 -9.0 4.3 31.2 80 116 A Q H X S+ 0 0 72 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.891 109.5 52.2 -65.7 -38.6 -9.5 0.5 31.8 81 117 A A H X S+ 0 0 12 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.909 109.0 50.2 -63.9 -40.9 -8.8 -0.2 28.1 82 118 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.913 113.0 46.4 -62.4 -41.7 -5.5 1.8 28.3 83 119 A Q H X S+ 0 0 20 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.892 109.9 53.2 -68.6 -38.0 -4.5 -0.2 31.4 84 120 A D H >< S+ 0 0 97 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.853 104.4 56.7 -64.2 -34.7 -5.5 -3.5 29.8 85 121 A A H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.7 40.0 -63.3 -33.8 -3.3 -2.7 26.8 86 122 A L H >< S+ 0 0 1 -4,-1.1 3,-2.6 -3,-0.3 -1,-0.2 0.449 82.9 135.4 -94.5 -3.8 -0.3 -2.3 29.2 87 123 A A T << S+ 0 0 69 -4,-0.6 3,-0.1 -3,-0.6 -3,-0.1 -0.230 80.3 5.5 -57.7 125.1 -1.1 -5.3 31.5 88 124 A G T 3 S+ 0 0 93 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.496 118.5 93.1 82.4 4.2 2.0 -7.3 32.2 89 125 A R S < S- 0 0 68 -3,-2.6 2,-0.5 2,-0.0 -1,-0.3 -0.643 75.4-117.9-118.6 174.5 4.2 -4.8 30.4 90 126 A K + 0 0 80 303,-0.4 303,-2.9 -2,-0.2 2,-0.3 -0.971 69.3 68.1-110.3 131.6 6.2 -1.7 31.2 91 127 A G E -GH 109 392D 0 18,-2.3 18,-2.2 -2,-0.5 2,-0.3 -0.997 64.2 -97.3 158.2-158.0 5.1 1.5 29.4 92 128 A A E -GH 108 391D 0 299,-1.9 299,-2.5 -2,-0.3 2,-0.3 -0.994 13.0-157.4-159.4 157.5 2.4 4.1 29.2 93 129 A C E -GH 107 390D 0 14,-2.3 14,-2.7 -2,-0.3 2,-0.4 -0.996 5.3-173.2-144.1 133.3 -0.7 5.2 27.3 94 130 A V E -GH 106 389D 0 295,-2.6 295,-2.6 -2,-0.3 2,-0.4 -0.995 3.2-169.1-126.4 133.0 -2.4 8.6 27.0 95 131 A V E +GH 105 388D 0 10,-2.5 9,-2.1 -2,-0.4 10,-1.6 -0.991 15.3 179.5-121.3 131.7 -5.8 9.2 25.2 96 132 A X E -GH 103 387D 1 291,-2.4 291,-2.2 -2,-0.4 7,-0.2 -0.897 35.6-123.9-130.1 155.3 -6.8 12.7 24.5 97 133 A D >> - 0 0 39 5,-2.4 4,-2.8 -2,-0.3 3,-1.1 -0.910 25.5-156.0 -92.5 113.9 -9.7 14.6 22.9 98 134 A P T 34 S+ 0 0 0 0, 0.0 201,-0.3 0, 0.0 -1,-0.1 0.712 86.9 59.7 -68.8 -17.0 -7.9 16.6 20.3 99 135 A D T 34 S+ 0 0 62 286,-0.1 286,-0.0 1,-0.1 287,-0.0 0.715 123.9 14.9 -83.8 -19.5 -10.6 19.3 20.2 100 136 A T T <4 S- 0 0 32 -3,-1.1 221,-0.4 2,-0.1 200,-0.1 0.632 93.4-118.4-124.1 -24.8 -10.3 20.3 23.8 101 137 A G < + 0 0 2 -4,-2.8 201,-2.1 1,-0.3 2,-0.1 0.421 59.5 154.1 88.4 0.9 -7.1 18.9 25.2 102 138 A A B -k 302 0E 8 -5,-0.4 -5,-2.4 199,-0.2 2,-0.7 -0.439 44.4-130.2 -66.0 136.0 -9.0 16.8 27.7 103 139 A I E +G 96 0D 0 199,-2.2 -7,-0.3 -7,-0.2 3,-0.1 -0.780 26.4 178.2 -89.5 112.6 -7.3 13.7 28.9 104 140 A L E S+ 0 0 24 -9,-2.1 -29,-2.6 -2,-0.7 -25,-0.3 0.718 71.4 7.6 -88.1 -25.7 -9.6 10.7 28.6 105 141 A A E +G 95 0D 0 -10,-1.6 -10,-2.5 -31,-0.2 2,-0.3 -0.969 55.4 177.6-153.6 145.0 -7.1 8.1 29.8 106 142 A X E +G 94 0D 5 -2,-0.3 2,-0.4 -12,-0.2 -66,-0.3 -0.850 19.3 169.3-150.9 107.2 -3.7 8.2 31.3 107 143 A A E -G 93 0D 4 -14,-2.7 -14,-2.3 -2,-0.3 2,-0.3 -0.958 16.0-171.0-128.1 142.2 -2.1 4.9 32.3 108 144 A S E -G 92 0D 7 -2,-0.4 -16,-0.2 -16,-0.2 -69,-0.1 -0.948 24.4-117.4-125.9 150.9 1.3 3.7 33.4 109 145 A A E S+G 91 0D 6 -18,-2.2 -18,-2.3 -2,-0.3 2,-0.2 -0.996 86.9 44.9-140.2 142.4 2.6 0.1 33.9 110 146 A P S S+ 0 0 39 0, 0.0 2,-0.2 0, 0.0 -20,-0.1 0.486 86.6 172.4 -67.6 159.3 3.6 -1.6 36.1 111 147 A T - 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0 0 4 -4,-0.5 2,-0.6 -3,-0.4 -17,-0.4 0.939 33.0-168.1 56.2 55.9 9.2 4.2 8.2 202 238 A S >< - 0 0 0 -5,-2.4 4,-1.9 1,-0.2 -1,-0.2 -0.612 17.8-168.4 -80.2 118.5 12.5 4.6 6.4 203 239 A N H > S+ 0 0 3 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.856 87.3 56.5 -70.2 -36.3 15.3 6.0 8.6 204 240 A T H > S+ 0 0 0 -33,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 109.1 45.9 -69.4 -31.5 17.6 6.6 5.6 205 241 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 115.1 46.2 -70.9 -47.6 15.1 8.8 3.9 206 242 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.866 109.5 55.9 -65.6 -30.7 14.3 10.7 7.0 207 243 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.937 109.8 45.2 -62.4 -46.8 18.0 11.1 7.7 208 244 A Q H X S+ 0 0 44 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.871 111.0 53.6 -63.6 -39.0 18.5 12.7 4.3 209 245 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.907 106.9 52.7 -63.6 -40.8 15.5 14.9 4.8 210 246 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 110.5 46.2 -57.8 -47.4 16.9 16.1 8.1 211 247 A V H < S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.4 52.2 -63.9 -38.6 20.2 17.1 6.5 212 248 A E H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.919 113.1 42.1 -65.8 -42.2 18.3 18.8 3.6 213 249 A X H X S- 0 0 9 -4,-2.6 4,-0.5 -5,-0.1 -1,-0.2 0.828 108.2-142.1 -76.0 -28.6 16.2 20.9 5.9 214 250 A G H X - 0 0 22 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.075 23.7 -74.2 87.0 162.0 19.1 21.7 8.2 215 251 A A H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.891 123.9 56.1 -63.2 -44.9 19.5 22.1 12.0 216 252 A D H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 112.9 41.4 -55.2 -49.0 17.8 25.5 12.3 217 253 A K H X S+ 0 0 89 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.871 114.5 50.5 -69.4 -38.4 14.5 24.3 10.7 218 254 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.941 114.0 44.1 -68.3 -43.0 14.4 20.9 12.4 219 255 A V H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.930 114.7 49.2 -66.6 -43.3 14.9 22.4 15.8 220 256 A A H X S+ 0 0 52 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.886 110.7 51.9 -61.4 -38.9 12.4 25.2 15.1 221 257 A G H X S+ 0 0 6 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.914 110.3 46.7 -64.7 -43.6 9.9 22.6 13.9 222 258 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-1.1 0.897 110.2 53.9 -64.7 -40.2 10.2 20.5 17.0 223 259 A E H ><5S+ 0 0 64 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.846 99.7 61.9 -64.7 -31.3 9.9 23.5 19.2 224 260 A S H 3<5S+ 0 0 50 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.754 104.4 49.5 -63.8 -23.7 6.6 24.4 17.4 225 261 A F T <<5S- 0 0 1 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.353 134.0 -87.0 -97.2 1.7 5.2 21.1 18.7 226 262 A G T X 5S+ 0 0 0 -3,-1.4 3,-1.4 1,-0.3 14,-0.3 0.394 75.6 145.5 113.8 -4.2 6.3 21.8 22.2 227 263 A F T 3 - 0 0 34 31,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.386 28.8-119.1 -69.4 154.2 20.4 23.2 20.1 245 281 A A H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.869 116.0 60.3 -60.6 -34.5 20.6 24.1 16.4 246 282 A E H > S+ 0 0 124 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.913 106.7 43.8 -59.3 -46.1 24.3 24.9 17.1 247 283 A D H > S+ 0 0 11 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.890 113.9 49.6 -67.0 -40.9 25.0 21.4 18.4 248 284 A L H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 7,-0.4 0.828 103.2 61.1 -68.3 -31.9 23.2 19.7 15.5 249 285 A Q H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 100.4 56.5 -59.1 -33.4 25.0 21.9 13.0 250 286 A K H 3< S+ 0 0 158 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.685 112.2 40.2 -74.5 -20.9 28.2 20.3 14.2 251 287 A S S+ 0 0 56 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.812 92.6 58.2 -55.0 -33.2 25.2 15.8 10.3 253 289 A W H > S+ 0 0 69 -76,-0.3 4,-2.3 2,-0.2 5,-0.2 0.929 107.3 44.4 -64.8 -46.3 25.0 12.3 11.8 254 290 A E H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 10,-0.3 0.891 114.7 50.9 -63.0 -39.0 23.3 13.5 14.9 255 291 A L H X S+ 0 0 10 -4,-2.3 4,-2.1 -7,-0.4 -2,-0.2 0.929 109.3 49.7 -64.5 -45.5 21.0 15.7 12.8 256 292 A A H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.933 113.8 44.9 -60.8 -47.4 20.0 12.8 10.5 257 293 A W H <>S+ 0 0 32 -4,-2.3 5,-2.7 1,-0.2 3,-0.4 0.874 109.0 56.0 -66.7 -36.4 19.2 10.5 13.4 258 294 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.904 103.1 55.7 -61.2 -39.0 17.2 13.3 15.2 259 295 A A H 3<5S+ 0 0 0 -4,-2.1 -107,-0.2 1,-0.3 -1,-0.2 0.804 108.4 49.0 -63.1 -26.6 15.1 13.7 12.1 260 296 A A T 3<5S- 0 0 1 -4,-0.9 -1,-0.3 -3,-0.4 -111,-0.2 0.315 126.0-103.0 -94.4 6.4 14.3 10.0 12.4 261 297 A G T < 5S+ 0 0 0 -3,-1.8 -116,-1.8 1,-0.2 -3,-0.2 0.565 79.8 126.0 90.2 8.1 13.5 10.3 16.1 262 298 A E < - 0 0 16 -5,-2.7 2,-1.3 -118,-0.2 -1,-0.2 -0.896 51.9-145.4-107.5 124.4 16.7 8.9 17.7 263 299 A P + 0 0 33 0, 0.0 13,-0.1 0, 0.0 -9,-0.1 -0.663 36.1 154.7 -85.1 88.3 18.6 11.0 20.3 264 300 A V + 0 0 41 -2,-1.3 -10,-0.1 13,-0.4 -9,-0.1 0.389 20.1 133.8 -99.6 3.0 22.2 10.0 19.6 265 301 A G - 0 0 9 12,-0.3 2,-1.1 -11,-0.1 11,-0.2 -0.275 63.8-116.3 -54.9 132.5 23.9 13.1 20.9 266 302 A D > + 0 0 77 1,-0.2 3,-0.9 9,-0.1 -1,-0.1 -0.607 38.1 172.5 -80.6 98.9 26.9 12.1 23.0 267 303 A T T 3 S+ 0 0 97 -2,-1.1 -1,-0.2 1,-0.2 5,-0.1 0.417 71.1 73.7 -86.8 3.6 26.1 13.3 26.5 268 304 A T T 3 S+ 0 0 116 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.492 76.6 99.8 -84.8 -5.1 29.2 11.6 28.0 269 305 A R S X S- 0 0 127 -3,-0.9 3,-1.5 1,-0.0 0, 0.0 -0.732 78.1-127.4 -90.4 114.9 31.3 14.3 26.3 270 306 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.303 91.8 31.5 -56.8 143.1 32.4 17.0 28.7 271 307 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.343 75.5 144.2 92.6 -7.2 31.5 20.5 27.5 272 308 A R < - 0 0 45 -3,-1.5 -1,-0.3 1,-0.1 -5,-0.0 -0.529 31.8-164.5 -71.0 128.4 28.3 19.6 25.6 273 309 A E + 0 0 145 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.810 62.5 44.3 -85.4 -32.9 25.9 22.5 26.0 274 310 A S S S- 0 0 17 1,-0.1 -2,-0.0 -30,-0.1 0, 0.0 -0.721 83.6-102.4-118.4 161.2 22.6 21.1 25.0 275 311 A P - 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