==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE SUBSTRATE 23-APR-03 1P4N . COMPND 2 MOLECULE: FEMX; . SOURCE 2 ORGANISM_SCIENTIFIC: WEISSELLA VIRIDESCENS; . AUTHOR S.BIARROTTE-SORIN,A.MAILLARD,J.DELETTRE,W.SOUGAKOFF,M.ARTHUR . 339 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 0 2 1 0 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 2 2 0 1 0 3 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 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 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 P 0 0 54 0, 0.0 44,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.2 6.8 -8.3 -2.7 2 2 A V B -A 44 0A 88 42,-0.2 2,-0.3 94,-0.0 42,-0.3 -0.805 360.0-116.3 -98.1 136.7 10.6 -8.2 -2.5 3 3 A L - 0 0 11 40,-3.0 2,-1.0 -2,-0.4 40,-0.4 -0.551 16.0-140.0 -75.6 129.9 12.4 -5.5 -4.3 4 4 A N > - 0 0 89 -2,-0.3 3,-2.0 1,-0.2 7,-0.3 -0.805 11.2-162.1 -88.9 104.2 14.7 -6.6 -7.2 5 5 A L T 3 S+ 0 0 78 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.616 87.6 59.9 -64.0 -11.5 17.7 -4.3 -6.7 6 6 A N T 3 S+ 0 0 146 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.335 84.0 88.3 -98.2 6.1 18.8 -5.1 -10.2 7 7 A D <> - 0 0 55 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.871 61.4-164.8-107.1 97.9 15.6 -3.7 -11.7 8 8 A P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.825 88.9 50.9 -49.7 -39.2 16.2 0.1 -12.3 9 9 A Q H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.939 111.6 46.2 -66.4 -49.0 12.5 0.7 -12.8 10 10 A A H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.3 51.5 -61.0 -42.6 11.5 -1.1 -9.6 11 11 A V H X S+ 0 0 34 -4,-2.7 4,-3.0 -7,-0.3 -1,-0.2 0.913 108.7 50.5 -62.2 -44.0 14.3 0.7 -7.6 12 12 A E H X S+ 0 0 83 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.882 110.6 49.3 -62.8 -38.3 13.1 4.1 -8.8 13 13 A R H X S+ 0 0 83 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.903 112.8 47.6 -67.9 -39.4 9.5 3.4 -7.8 14 14 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.926 113.6 48.0 -65.3 -46.0 10.7 2.2 -4.4 15 15 A E H X S+ 0 0 15 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.875 108.0 53.7 -63.2 -40.9 12.9 5.3 -4.0 16 16 A E H X S+ 0 0 84 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.890 109.8 48.9 -62.8 -38.9 10.2 7.7 -5.0 17 17 A F H X S+ 0 0 38 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.953 114.1 45.5 -64.3 -49.0 7.9 6.3 -2.4 18 18 A M H >< S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.938 115.0 45.9 -58.9 -51.1 10.5 6.5 0.3 19 19 A R H 3< S+ 0 0 119 -4,-3.0 230,-0.3 1,-0.2 -1,-0.2 0.762 118.1 42.5 -67.0 -26.8 11.7 10.1 -0.5 20 20 A Q H 3< S+ 0 0 150 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.533 90.0 105.2 -98.7 -6.6 8.1 11.4 -0.8 21 21 A S X< - 0 0 9 -4,-1.2 3,-2.0 -3,-0.5 229,-0.1 -0.503 69.5-138.1 -77.0 139.3 6.6 9.7 2.2 22 22 A P T 3 S+ 0 0 76 0, 0.0 228,-0.4 0, 0.0 -1,-0.1 0.712 110.0 53.6 -67.5 -13.3 5.9 11.8 5.3 23 23 A Y T 3 S+ 0 0 112 226,-0.1 56,-0.2 2,-0.1 87,-0.1 0.316 82.3 137.7 -99.5 6.1 7.3 8.7 7.1 24 24 A G < - 0 0 6 -3,-2.0 226,-0.4 -7,-0.1 2,-0.4 -0.201 32.0-169.9 -57.1 142.4 10.5 8.7 5.1 25 25 A Q > - 0 0 12 224,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.997 27.6-137.2-134.5 136.6 13.8 8.0 7.0 26 26 A V G > S+ 0 0 3 -2,-0.4 3,-1.1 1,-0.3 6,-0.4 0.856 108.2 58.9 -63.3 -30.3 17.3 8.4 5.5 27 27 A T G 3 S+ 0 0 5 1,-0.3 -1,-0.3 4,-0.1 47,-0.3 0.539 105.1 50.4 -75.5 -4.8 18.2 5.1 7.3 28 28 A Q G < S+ 0 0 0 -3,-1.8 -1,-0.3 47,-0.1 -2,-0.2 0.384 88.1 105.4-107.3 -4.0 15.4 3.4 5.3 29 29 A D S X> S- 0 0 13 -3,-1.1 3,-1.7 -4,-0.4 4,-0.5 -0.483 83.8-119.6 -74.4 149.6 16.6 4.8 2.0 30 30 A L H >> S+ 0 0 19 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.731 112.0 71.0 -63.0 -18.3 18.4 2.4 -0.3 31 31 A G H 3> S+ 0 0 2 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.801 85.1 66.0 -67.2 -26.9 21.4 4.6 -0.0 32 32 A W H <> S+ 0 0 5 -3,-1.7 4,-2.8 -6,-0.4 -1,-0.2 0.846 94.2 58.0 -63.2 -33.7 21.8 3.5 3.6 33 33 A A H << S+ 0 0 22 -3,-0.7 6,-0.3 -4,-0.5 -1,-0.2 0.829 102.6 55.0 -64.5 -32.0 22.7 0.0 2.4 34 34 A K H >< S+ 0 0 130 -4,-0.7 3,-0.6 -3,-0.5 -1,-0.2 0.819 110.2 45.5 -70.3 -31.0 25.5 1.6 0.4 35 35 A V H 3< S+ 0 0 0 -4,-1.1 2,-1.3 1,-0.3 -2,-0.2 0.942 115.1 45.9 -75.0 -49.3 26.8 3.2 3.6 36 36 A K T >< S+ 0 0 23 -4,-2.8 3,-2.2 1,-0.2 -1,-0.3 -0.379 74.5 155.3 -88.6 55.1 26.4 -0.1 5.7 37 37 A N T < + 0 0 97 -2,-1.3 -1,-0.2 -3,-0.6 -2,-0.1 0.550 62.1 67.2 -63.7 -7.7 28.0 -2.0 2.8 38 38 A N T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.412 93.1 74.4 -92.0 1.8 29.1 -4.7 5.3 39 39 A W S < S- 0 0 75 -3,-2.2 23,-0.2 -6,-0.3 21,-0.0 -0.774 86.1-116.9-110.0 157.2 25.5 -5.7 5.8 40 40 A E E - B 0 61A 70 21,-2.2 21,-2.5 -2,-0.3 2,-0.3 -0.832 28.4-136.2 -97.6 125.5 23.2 -7.6 3.4 41 41 A P E + B 0 60A 47 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.628 26.7 170.1 -88.2 138.4 20.2 -5.7 2.0 42 42 A V E - B 0 59A 14 17,-1.9 17,-2.4 -2,-0.3 2,-0.4 -0.954 12.8-175.3-141.5 115.6 16.7 -7.2 1.8 43 43 A D E + B 0 58A 4 -2,-0.4 -40,-3.0 -40,-0.4 2,-0.3 -0.949 4.1 177.7-122.2 136.6 13.9 -4.8 1.0 44 44 A V E -AB 2 57A 1 13,-2.2 13,-2.5 -2,-0.4 2,-0.3 -0.858 1.9-178.3-130.7 166.6 10.2 -5.4 0.7 45 45 A Y E - B 0 56A 25 -44,-2.1 2,-0.3 -2,-0.3 11,-0.2 -0.970 18.1-134.7-157.3 166.2 7.0 -3.4 0.1 46 46 A L E - B 0 55A 8 9,-2.5 8,-2.8 -2,-0.3 9,-1.3 -0.937 17.0-146.0-126.4 150.4 3.2 -3.6 -0.1 47 47 A E E - B 0 53A 68 -2,-0.3 6,-0.2 6,-0.3 2,-0.0 -0.853 13.2-128.1-115.8 152.0 1.0 -2.1 -2.8 48 48 A D > - 0 0 62 4,-2.7 3,-2.0 -2,-0.3 -1,-0.1 -0.147 49.2 -76.6 -84.2-172.0 -2.6 -0.7 -2.4 49 49 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.638 132.7 54.2 -63.1 -14.0 -5.5 -1.8 -4.5 50 50 A Q T 3 S- 0 0 159 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.276 119.3-106.3-103.2 11.1 -4.2 0.4 -7.4 51 51 A G S < S+ 0 0 29 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.495 76.8 133.6 80.8 3.1 -0.8 -1.2 -7.4 52 52 A A - 0 0 47 1,-0.1 -4,-2.7 2,-0.0 -1,-0.3 -0.617 66.7 -99.4 -87.3 146.7 1.0 1.8 -5.8 53 53 A I E +B 47 0A 20 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.458 44.0 168.9 -65.5 129.6 3.5 1.3 -3.0 54 54 A I E + 0 0 68 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.560 65.1 14.1-116.0 -17.5 1.8 2.0 0.3 55 55 A A E -B 46 0A 0 -9,-1.3 -9,-2.5 24,-0.1 -1,-0.4 -0.982 62.7-178.7-158.1 146.1 4.4 0.6 2.8 56 56 A A E -BC 45 78A 0 22,-1.5 22,-3.0 -2,-0.3 2,-0.4 -0.993 10.7-163.5-149.4 155.2 8.0 -0.4 2.6 57 57 A M E -B 44 0A 0 -13,-2.5 -13,-2.2 -2,-0.3 2,-0.7 -0.952 6.7-158.7-144.1 119.2 10.8 -1.7 4.8 58 58 A S E -B 43 0A 11 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.884 21.2-169.7 -99.2 117.6 14.5 -1.7 4.0 59 59 A M E -B 42 0A 0 -17,-2.4 -17,-1.9 -2,-0.7 2,-0.4 -0.773 14.2-158.3-108.9 153.7 16.3 -4.3 6.1 60 60 A L E -BD 41 72A 18 12,-2.0 12,-2.7 -2,-0.3 2,-0.5 -0.998 13.2-146.4-129.6 130.9 20.0 -5.0 6.6 61 61 A L E -BD 40 71A 2 -21,-2.5 -21,-2.2 -2,-0.4 2,-0.3 -0.880 18.7-176.9-103.8 129.4 21.2 -8.4 7.7 62 62 A G E - D 0 70A 7 8,-2.6 8,-2.8 -2,-0.5 -23,-0.1 -0.826 26.0-101.8-122.7 161.7 24.2 -8.8 10.0 63 63 A D - 0 0 130 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.356 31.4-172.0 -79.7 160.1 26.1 -11.7 11.5 64 64 A T - 0 0 29 2,-0.5 -1,-0.0 4,-0.4 6,-0.0 -0.804 44.8 -94.7-138.4 176.7 25.8 -13.0 15.0 65 65 A P S S+ 0 0 125 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.454 108.1 65.0 -77.9 3.5 27.8 -15.6 17.1 66 66 A T S S- 0 0 38 2,-0.4 -2,-0.5 262,-0.0 0, 0.0 -0.516 103.3 -95.7-113.4-176.8 25.2 -18.1 15.9 67 67 A D S S+ 0 0 140 -2,-0.2 2,-0.2 -4,-0.1 -1,-0.0 0.490 98.7 85.1 -79.9 -1.9 24.1 -19.6 12.6 68 68 A K S S- 0 0 44 257,-0.0 -4,-0.4 34,-0.0 -2,-0.4 -0.673 73.2-128.1-102.7 157.1 21.4 -17.0 12.3 69 69 A K E - e 0 102A 51 32,-2.9 34,-2.1 -2,-0.2 35,-0.6 -0.616 16.6-125.6 -97.2 159.3 21.4 -13.5 10.9 70 70 A F E -De 62 104A 22 -8,-2.8 -8,-2.6 -2,-0.2 2,-0.6 -0.939 23.1-155.2-105.9 117.9 20.1 -10.3 12.7 71 71 A A E +De 61 105A 0 33,-2.0 35,-2.8 -2,-0.6 2,-0.4 -0.870 17.1 179.3 -99.5 123.5 17.6 -8.5 10.5 72 72 A Y E -De 60 106A 21 -12,-2.7 -12,-2.0 -2,-0.6 2,-0.7 -0.983 23.9-170.8-131.9 129.0 17.4 -4.8 11.2 73 73 A A E > - e 0 107A 0 33,-3.0 3,-2.2 -2,-0.4 35,-0.8 -0.808 29.7-142.7-115.6 85.1 15.2 -2.0 9.6 74 74 A S T 3 S- 0 0 8 -2,-0.7 -16,-0.1 1,-0.3 33,-0.1 -0.307 77.1 -14.8 -57.3 119.1 16.7 1.1 11.3 75 75 A K T 3 S+ 0 0 4 1,-0.2 35,-0.4 33,-0.2 -1,-0.3 0.693 117.6 161.8 57.9 25.0 13.9 3.6 12.0 76 76 A G < + 0 0 0 -3,-2.2 -1,-0.2 33,-0.1 2,-0.2 -0.470 29.9 71.4-108.9-178.9 11.6 1.7 9.7 77 77 A P - 0 0 5 0, 0.0 2,-0.9 0, 0.0 -20,-0.2 0.651 61.2-133.1 -80.1 177.1 9.2 0.6 8.4 78 78 A V B S+C 56 0A 0 -22,-3.0 -22,-1.5 -2,-0.2 2,-0.3 -0.838 72.9 65.7 -99.5 100.3 8.0 3.5 6.2 79 79 A M S S- 0 0 8 -2,-0.9 2,-1.2 -24,-0.2 -24,-0.1 -0.911 104.5 -57.9 171.4-177.4 4.3 3.8 6.8 80 80 A D > - 0 0 63 -2,-0.3 3,-2.3 1,-0.2 7,-0.2 -0.768 49.3-165.3 -88.3 98.2 2.0 4.6 9.8 81 81 A V T 3 S+ 0 0 8 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.689 81.8 70.4 -60.2 -19.8 3.2 1.9 12.2 82 82 A T T 3 S+ 0 0 72 1,-0.2 2,-1.8 -3,-0.1 -1,-0.3 0.619 77.4 84.7 -73.0 -10.7 0.2 2.4 14.4 83 83 A D <> + 0 0 72 -3,-2.3 4,-2.3 1,-0.2 3,-0.4 -0.626 65.1 175.2 -87.8 74.1 -1.8 0.8 11.6 84 84 A V H > + 0 0 9 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.758 68.8 57.5 -57.9 -31.0 -0.9 -2.6 13.0 85 85 A D H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.936 111.5 42.9 -67.3 -42.9 -2.9 -4.7 10.6 86 86 A L H > S+ 0 0 18 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.901 112.6 54.9 -66.5 -39.2 -1.1 -3.1 7.7 87 87 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.921 104.1 54.0 -59.5 -44.5 2.2 -3.5 9.6 88 88 A D H X S+ 0 0 33 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.899 108.7 49.4 -57.5 -40.9 1.5 -7.2 10.1 89 89 A R H X S+ 0 0 133 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.875 111.4 48.0 -66.8 -38.5 1.1 -7.6 6.3 90 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.914 112.0 49.6 -68.2 -42.2 4.3 -5.8 5.6 91 91 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.861 105.3 58.0 -64.9 -35.4 6.2 -7.9 8.1 92 92 A D H X S+ 0 0 74 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.929 107.3 47.6 -59.8 -44.0 4.8 -11.0 6.6 93 93 A E H X S+ 0 0 44 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.899 112.7 49.6 -61.8 -41.4 6.3 -10.0 3.3 94 94 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.908 108.9 51.5 -64.1 -43.9 9.6 -9.3 5.1 95 95 A V H X>S+ 0 0 43 -4,-3.1 4,-0.8 1,-0.2 5,-0.6 0.886 110.1 49.4 -61.3 -40.1 9.5 -12.7 6.9 96 96 A K H ><5S+ 0 0 147 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.897 110.6 50.8 -65.6 -40.2 9.0 -14.5 3.5 97 97 A A H 3<5S+ 0 0 27 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.798 104.5 57.3 -68.0 -29.3 11.9 -12.5 2.0 98 98 A L H ><5S- 0 0 1 -4,-1.8 3,-2.0 -5,-0.1 -1,-0.2 0.715 90.0-156.8 -73.8 -22.1 14.2 -13.5 5.0 99 99 A D T <<5 - 0 0 131 -4,-0.8 -3,-0.1 -3,-0.6 -2,-0.1 0.803 62.7 -58.3 49.6 39.5 13.6 -17.1 4.2 100 100 A G T 3 - 0 0 39 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.921 47.7-124.3-164.2 144.9 2.4 4.8 24.8 115 115 A D H > S+ 0 0 104 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.909 112.6 56.0 -60.2 -40.4 1.1 1.9 26.9 116 116 A E H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.942 111.4 40.7 -56.3 -52.0 -1.7 1.5 24.5 117 117 A F H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 113.9 53.8 -65.2 -41.6 0.5 1.1 21.4 118 118 A N H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 111.7 45.8 -59.0 -43.0 3.0 -1.1 23.4 119 119 A T H X S+ 0 0 66 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 109.9 52.8 -69.0 -41.5 0.2 -3.4 24.4 120 120 A T H X S+ 0 0 37 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.931 109.2 50.3 -60.1 -45.3 -1.3 -3.6 20.9 121 121 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.5 0.927 111.5 47.5 -59.5 -44.9 2.0 -4.6 19.5 122 122 A Q H ><5S+ 0 0 94 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.909 107.1 57.5 -63.8 -39.5 2.4 -7.3 22.1 123 123 A D H 3<5S+ 0 0 123 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.789 104.3 53.2 -60.4 -28.4 -1.1 -8.5 21.4 124 124 A H T <<5S- 0 0 62 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.312 128.8 -97.6 -89.7 8.0 -0.1 -9.0 17.7 125 125 A G T < 5S+ 0 0 55 -3,-2.1 198,-0.4 1,-0.3 -3,-0.2 0.409 79.2 132.8 95.9 -2.8 2.9 -11.1 18.8 126 126 A Y < - 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0 0 70 1,-0.1 -163,-0.3 -164,-0.1 -1,-0.1 -0.322 55.5 -96.8 -65.8 150.3 10.2 17.7 26.5 313 313 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -165,-0.2 -0.361 40.6-110.2 -65.9 150.7 12.3 15.1 24.6 314 314 A R E -I 147 0C 90 -167,-3.0 -167,-2.6 -3,-0.1 2,-0.6 -0.647 27.3-151.0 -81.2 140.1 10.3 12.8 22.4 315 315 A E E -I 146 0C 50 -2,-0.3 -202,-3.2 -169,-0.2 -169,-0.2 -0.961 13.7-150.7-115.4 114.9 10.2 9.2 23.8 316 316 A Y B -H 112 0B 14 -171,-2.5 -204,-0.2 -2,-0.6 -206,-0.1 -0.381 27.2-109.5 -84.5 162.2 9.8 6.5 21.1 317 317 A I - 0 0 0 -206,-2.5 2,-0.3 -208,-0.4 -186,-0.1 0.727 57.1-147.6 -59.8 -23.9 8.2 3.1 21.3 318 318 A G - 0 0 5 -209,-0.4 2,-0.4 -207,-0.3 -1,-0.2 -0.641 46.4 -3.7 93.6-148.1 11.6 1.6 21.0 319 319 A E E - G 0 129A 0 -190,-2.0 -190,-2.6 -2,-0.3 2,-0.6 -0.731 54.5-161.5 -92.3 129.9 12.5 -1.7 19.4 320 320 A I E -FG 107 128A 0 -213,-2.3 -213,-1.8 -2,-0.4 2,-0.5 -0.951 14.4-160.4-108.4 115.0 9.7 -3.9 18.0 321 321 A D E -FG 106 127A 0 -194,-3.5 -194,-2.5 -2,-0.6 2,-1.0 -0.873 17.1-160.2-107.4 125.3 11.0 -7.5 17.6 322 322 A K E -F 105 0A 49 -217,-2.8 -217,-1.8 -2,-0.5 2,-0.4 -0.881 27.9-144.8 -96.6 101.4 9.3 -10.0 15.3 323 323 A V E +F 104 0A 43 -2,-1.0 -219,-0.2 -198,-0.4 -220,-0.1 -0.580 33.4 161.9 -75.1 124.5 10.8 -13.2 16.9 324 324 A L S S+ 0 0 57 -221,-2.2 -220,-0.2 -2,-0.4 -1,-0.2 0.760 73.3 33.6-109.9 -41.7 11.5 -15.9 14.4 325 325 A D > - 0 0 31 -222,-2.1 4,-2.4 1,-0.1 -1,-0.3 -0.891 69.8-170.8-119.4 96.4 14.0 -18.3 16.2 326 326 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.824 80.8 52.7 -55.7 -41.1 12.9 -18.2 19.9 327 327 A E H > S+ 0 0 139 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.962 113.9 40.6 -65.1 -51.3 15.9 -20.1 21.2 328 328 A V H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 113.1 56.6 -64.3 -37.8 18.6 -17.9 19.6 329 329 A Y H X S+ 0 0 25 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.932 107.4 47.8 -57.8 -46.6 16.5 -14.8 20.5 330 330 A A H < S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 112.9 50.2 -64.4 -31.9 16.5 -15.7 24.2 331 331 A E H < S+ 0 0 98 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.914 121.4 30.8 -72.0 -44.5 20.3 -16.3 24.0 332 332 A L H < S+ 0 0 61 -4,-2.7 2,-0.5 1,-0.1 -2,-0.2 0.600 116.1 56.3 -93.7 -13.6 21.1 -13.0 22.3 333 333 A V < + 0 0 19 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.1 -0.962 57.1 148.8-130.1 120.1 18.5 -10.7 23.7 334 334 A K 0 0 110 -2,-0.5 -3,-0.0 1,-0.1 -4,-0.0 -0.951 360.0 360.0-140.8 159.1 17.7 -9.9 27.3 335 335 A D 0 0 118 -2,-0.3 -201,-2.4 -202,-0.1 -1,-0.1 0.855 360.0 360.0 -66.8 360.0 16.4 -7.0 29.3 336 !* 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 0.0 337 337 B X 0 0 99 0, 0.0 -129,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 360.0 31.6 5.1 21.0 338 ! 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 0.0 339 338 B K 0 0 160 0, 0.0 2,-0.1 0, 0.0 -196,-0.0 0.000 360.0 360.0 360.0 157.7 27.2 3.8 18.9 340 339 B X 0 0 27 1,-0.1 -197,-0.1 -197,-0.0 -85,-0.0 -0.176 360.0 360.0 128.4 139.6 24.7 5.4 16.6 341 340 B X 0 0 14 -2,-0.1 -1,-0.1 -85,-0.0 -86,-0.1 0.920 360.0 360.0 -55.4 360.0 24.0 5.3 12.8