==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-DEC-08 2W71 . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MOCHALKIN,J.R.MILLER . 892 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 69 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 4 0 2 5 5 1 5 0 2 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 5 2 4 4 4 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 M 0 0 105 0, 0.0 313,-0.1 0, 0.0 312,-0.0 0.000 360.0 360.0 360.0 141.5 -2.9 26.5 24.7 2 2 A L - 0 0 11 311,-0.3 25,-0.2 1,-0.1 3,-0.1 -0.310 360.0-146.0 -55.7 130.4 -1.9 25.4 21.2 3 3 A D S S- 0 0 81 1,-0.3 24,-2.6 23,-0.2 2,-0.3 0.922 74.7 -6.6 -64.2 -45.3 -4.7 23.4 19.6 4 4 A K E -a 27 0A 28 22,-0.2 72,-2.8 70,-0.1 73,-1.0 -0.988 65.0-165.3-158.4 134.8 -2.5 21.1 17.5 5 5 A I E -ab 28 77A 0 22,-2.5 24,-2.2 -2,-0.3 2,-0.5 -0.954 20.7-129.0-128.7 152.0 1.2 20.8 16.7 6 6 A V E -ab 29 78A 0 71,-2.3 73,-2.8 -2,-0.3 2,-1.0 -0.860 20.2-144.0 -88.8 126.4 3.5 19.0 14.3 7 7 A I E -ab 30 79A 0 22,-2.9 2,-2.0 -2,-0.5 24,-0.9 -0.822 14.0-163.5 -89.8 98.5 6.2 17.2 16.1 8 8 A A + 0 0 5 71,-2.4 77,-0.3 -2,-1.0 2,-0.3 -0.395 59.9 56.9 -86.7 60.8 9.0 17.7 13.5 9 9 A N - 0 0 4 -2,-2.0 2,-0.2 22,-0.3 22,-0.1 -0.895 65.9-133.6-165.0-167.6 11.3 15.0 14.9 10 10 A R >> + 0 0 22 -2,-0.3 4,-1.3 22,-0.1 3,-0.6 -0.834 54.8 25.5-149.3 180.0 11.6 11.3 15.7 11 11 A G H 3> S- 0 0 3 -2,-0.2 4,-1.6 1,-0.2 30,-0.2 -0.153 114.7 -12.2 60.6-141.4 12.8 8.8 18.3 12 12 A E H 3> S+ 0 0 4 372,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.855 134.6 51.4 -67.2 -39.0 13.0 9.6 22.0 13 13 A I H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.860 106.9 53.9 -71.5 -33.4 12.5 13.4 21.7 14 14 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.909 111.5 46.4 -64.3 -40.8 9.4 13.1 19.6 15 15 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 110.4 53.0 -63.8 -43.8 7.9 10.8 22.3 16 16 A R H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.896 112.3 45.4 -57.1 -42.9 9.0 13.3 25.0 17 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 109.9 54.2 -69.7 -42.7 7.2 16.1 23.1 18 18 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 107.0 51.6 -56.2 -44.4 4.1 14.0 22.5 19 19 A R H X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.912 110.5 47.8 -61.8 -44.7 3.8 13.3 26.3 20 20 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.886 110.8 52.2 -61.9 -42.0 4.0 17.0 27.1 21 21 A C H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 4,-0.4 0.939 109.3 49.3 -58.4 -49.4 1.4 17.8 24.4 22 22 A K H ><5S+ 0 0 56 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.852 107.1 55.0 -59.6 -40.0 -1.0 15.2 25.9 23 23 A E H 3<5S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.6 42.7 -59.0 -35.2 -0.5 16.6 29.4 24 24 A L T 3<5S- 0 0 29 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.403 116.1-112.4 -94.2 0.5 -1.5 20.0 28.1 25 25 A G T < 5 + 0 0 60 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.696 64.7 152.4 73.4 21.7 -4.4 18.7 25.9 26 26 A I < - 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 -22,-0.2 -0.736 46.2-123.1 -87.2 123.9 -2.6 19.7 22.7 27 27 A K E -a 4 0A 97 -24,-2.6 -22,-2.5 -2,-0.5 2,-0.4 -0.357 29.5-136.6 -63.8 143.7 -3.4 17.6 19.6 28 28 A T E -a 5 0A 1 -24,-0.2 19,-1.9 16,-0.1 2,-0.5 -0.864 19.4-169.2-113.3 139.3 -0.4 15.8 18.0 29 29 A V E -ac 6 47A 0 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.8 -0.982 13.5-157.4-120.0 113.7 0.7 15.4 14.4 30 30 A A E -ac 7 48A 0 17,-3.0 19,-2.3 -2,-0.5 2,-0.4 -0.847 5.7-165.4 -92.7 106.7 3.5 12.9 14.0 31 31 A V E + c 0 49A 0 -24,-0.9 -22,-0.3 -2,-0.8 2,-0.3 -0.774 21.8 167.9 -85.3 136.4 5.4 13.5 10.8 32 32 A H E - c 0 50A 6 17,-2.1 19,-2.3 -2,-0.4 20,-0.7 -0.990 36.0-112.5-152.2 152.7 7.6 10.6 9.9 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-1.7 17,-0.2 21,-0.2 -0.375 43.9-103.0 -75.4 165.0 9.8 9.0 7.2 34 34 A S G > S+ 0 0 52 18,-2.1 3,-0.5 1,-0.3 -1,-0.1 0.703 124.0 57.9 -63.3 -19.8 8.7 5.7 5.6 35 35 A A G 3 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.578 103.1 55.0 -82.6 -9.7 11.3 3.9 7.8 36 36 A D G X + 0 0 1 -3,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.023 63.6 117.3-117.0 23.6 9.7 5.3 11.0 37 37 A R T < S+ 0 0 130 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.788 80.5 49.1 -62.7 -28.0 6.1 4.1 10.7 38 38 A D T 3 S+ 0 0 103 -3,-0.2 -1,-0.3 338,-0.1 2,-0.1 0.171 76.7 135.0-104.6 19.5 6.4 2.0 13.8 39 39 A L <> - 0 0 0 -3,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.426 63.3-123.6 -59.1 137.7 7.9 4.6 16.1 40 40 A K H > S+ 0 0 17 330,-0.4 4,-1.3 1,-0.2 5,-0.2 0.923 111.0 47.6 -51.2 -51.3 6.2 4.6 19.5 41 41 A H H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.840 108.9 54.8 -65.2 -32.5 5.2 8.3 19.3 42 42 A V H 4 S+ 0 0 8 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.911 109.1 48.2 -62.9 -41.8 3.8 7.8 15.8 43 43 A L H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.754 116.1 44.5 -68.5 -25.4 1.6 5.0 17.1 44 44 A L H < S+ 0 0 41 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.596 91.7 108.5 -93.5 -15.4 0.5 7.2 20.0 45 45 A A S < S- 0 0 16 -4,-1.3 -16,-0.1 -3,-0.3 3,-0.1 -0.234 71.2-130.7 -69.5 152.5 -0.2 10.4 18.0 46 46 A D S S+ 0 0 97 -18,-0.2 2,-0.3 1,-0.2 -17,-0.2 0.898 94.2 11.1 -65.6 -43.1 -3.6 11.8 17.2 47 47 A E E -c 29 0A 74 -19,-1.9 -17,-3.0 2,-0.0 2,-0.4 -0.970 69.3-157.1-136.3 153.2 -2.6 12.1 13.5 48 48 A T E -c 30 0A 74 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.975 5.8-173.5-131.9 142.6 0.2 10.9 11.3 49 49 A V E -c 31 0A 36 -19,-2.3 -17,-2.1 -2,-0.4 2,-0.7 -0.973 21.1-140.5-135.0 121.2 1.7 12.1 8.0 50 50 A C E -c 32 0A 51 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.744 21.3-176.4 -77.2 117.3 4.4 10.2 6.1 51 51 A I E - 0 0 13 -19,-2.3 -18,-0.2 -2,-0.7 -1,-0.1 0.396 51.9 -49.7-100.3 -2.1 6.6 13.1 4.9 52 52 A G E S-c 33 0A 20 -20,-0.7 -18,-2.1 13,-0.1 -1,-0.2 -0.937 71.2 -43.1 159.5-175.5 9.1 11.1 2.8 53 53 A P - 0 0 66 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.066 68.6 -84.3 -72.1 179.2 11.6 8.2 2.3 54 54 A A S S+ 0 0 10 -21,-0.2 6,-0.2 5,-0.1 5,-0.1 0.864 97.6 92.3 -57.2 -48.3 14.1 7.1 4.9 55 55 A P S > S- 0 0 67 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.254 78.1-130.8 -58.2 136.2 17.0 9.5 4.2 56 56 A S G > >S+ 0 0 25 324,-0.3 5,-2.8 1,-0.3 3,-1.5 0.813 100.4 69.2 -57.5 -36.5 16.7 12.6 6.4 57 57 A V G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.2 -3,-0.1 0.853 109.3 35.7 -50.9 -38.0 17.2 15.0 3.5 58 58 A K G < 5S+ 0 0 118 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.343 133.2 22.3-103.5 7.8 13.8 14.0 2.1 59 59 A S T X 5S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.4 7,-0.2 0.356 128.4 22.6-129.8 -88.0 12.0 13.5 5.4 60 60 A Y T 3 5S+ 0 0 2 1,-0.3 25,-0.3 -6,-0.2 -3,-0.2 0.649 134.0 39.1 -68.1 -13.2 13.1 15.2 8.7 61 61 A L T 3 - 0 0 22 -3,-1.9 4,-2.3 -6,-0.4 5,-0.2 -0.628 45.0-175.1 -83.4 90.1 12.4 18.3 4.1 63 63 A I H > S+ 0 0 20 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.910 79.3 47.5 -55.9 -53.1 11.0 21.8 4.9 64 64 A P H > S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.868 113.0 49.5 -57.5 -37.4 8.2 21.8 2.3 65 65 A A H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.912 112.1 46.9 -70.1 -41.1 6.9 18.4 3.3 66 66 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 -7,-0.2 -1,-0.2 0.930 114.4 47.4 -64.7 -45.2 6.9 19.3 7.1 67 67 A I H X S+ 0 0 10 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.904 109.7 53.4 -64.0 -39.7 5.1 22.6 6.3 68 68 A S H X S+ 0 0 66 -4,-2.4 4,-3.2 -5,-0.2 -1,-0.2 0.872 105.8 54.4 -60.3 -38.1 2.6 20.8 4.1 69 69 A A H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 6,-0.2 0.878 108.8 47.5 -63.9 -40.3 1.8 18.4 6.9 70 70 A A H X>S+ 0 0 0 -4,-1.7 5,-1.9 2,-0.2 4,-1.1 0.921 114.3 49.0 -62.3 -44.3 1.1 21.4 9.2 71 71 A E H <5S+ 0 0 114 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.927 111.2 46.9 -59.8 -50.1 -1.1 22.8 6.4 72 72 A I H <5S+ 0 0 137 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 119.1 40.3 -67.2 -31.5 -3.1 19.6 5.7 73 73 A T H <5S- 0 0 18 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.573 106.0-122.2 -92.9 -11.9 -3.8 18.9 9.4 74 74 A G T <5 + 0 0 44 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.829 47.8 172.1 68.8 33.6 -4.5 22.5 10.4 75 75 A A < - 0 0 4 -5,-1.9 -70,-0.2 -6,-0.2 -1,-0.2 -0.373 27.1-154.1 -67.9 153.1 -1.7 22.5 13.0 76 76 A V S S+ 0 0 56 -72,-2.8 25,-2.7 1,-0.2 2,-0.3 0.581 70.8 22.3-104.5 -14.4 -0.9 25.9 14.6 77 77 A A E -bd 5 101A 0 -73,-1.0 -71,-2.3 23,-0.2 2,-0.4 -0.967 61.2-140.2-149.7 160.8 2.7 25.3 15.6 78 78 A I E -bd 6 102A 0 23,-2.2 25,-2.6 -2,-0.3 -71,-0.2 -0.994 8.5-156.5-128.8 125.2 5.8 23.1 14.8 79 79 A H E -b 7 0A 1 -73,-2.8 -71,-2.4 -2,-0.4 25,-0.1 -0.906 4.1-169.5 -99.5 116.0 8.1 21.7 17.4 80 80 A P - 0 0 6 0, 0.0 6,-0.3 0, 0.0 5,-0.3 0.533 17.8-160.4 -82.6 -6.4 11.6 21.0 15.9 81 81 A G - 0 0 1 22,-0.2 212,-0.5 4,-0.1 2,-0.3 -0.397 46.1 -44.4 61.8-138.4 13.0 19.1 18.9 82 82 A Y S S+ 0 0 33 210,-0.1 3,-0.2 -2,-0.1 212,-0.1 -0.798 108.5 13.1-118.9 168.4 16.8 18.9 18.8 83 83 A G S > S+ 0 0 39 -2,-0.3 3,-2.6 1,-0.2 4,-0.3 -0.271 101.4 59.3 63.9-155.7 19.1 18.2 15.8 84 84 A F T 3 S- 0 0 65 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.088 128.0 -15.5 40.6-112.6 17.6 18.2 12.3 85 85 A L T > S+ 0 0 9 -77,-0.3 3,-1.5 -25,-0.3 -1,-0.3 0.216 102.2 109.2-104.8 13.4 16.1 21.7 11.6 86 86 A S T < S+ 0 0 3 -3,-2.6 -1,-0.2 -6,-0.3 -2,-0.1 0.766 89.8 32.8 -67.3 -27.2 16.0 23.0 15.2 87 87 A E T 3 S+ 0 0 64 -3,-0.3 2,-0.9 -4,-0.3 -1,-0.3 0.112 89.8 118.0-110.8 18.3 18.8 25.6 14.7 88 88 A N <> - 0 0 58 -3,-1.5 4,-2.1 1,-0.2 3,-0.2 -0.773 44.2-170.2 -90.6 104.1 17.9 26.2 11.0 89 89 A A H > S+ 0 0 12 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.843 85.9 57.2 -64.5 -34.6 17.0 29.9 10.8 90 90 A N H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 107.1 48.7 -62.3 -39.6 15.7 29.5 7.3 91 91 A F H > S+ 0 0 0 2,-0.2 4,-3.0 -3,-0.2 -2,-0.2 0.958 111.5 48.4 -64.6 -50.7 13.2 26.8 8.5 92 92 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 113.5 49.0 -53.7 -43.5 12.0 29.0 11.4 93 93 A E H X S+ 0 0 70 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.913 112.3 46.7 -65.4 -42.9 11.6 31.9 8.9 94 94 A Q H X S+ 0 0 68 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.886 109.4 55.7 -66.6 -38.4 9.7 29.6 6.4 95 95 A V H <>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 4,-0.4 0.942 113.7 39.3 -58.0 -49.6 7.5 28.3 9.3 96 96 A E H ><5S+ 0 0 87 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.928 114.0 54.3 -69.5 -40.5 6.4 31.8 10.3 97 97 A R H 3<5S+ 0 0 168 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 106.8 52.9 -59.9 -33.2 6.2 33.0 6.6 98 98 A S T 3<5S- 0 0 48 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.541 126.1-103.7 -79.0 -10.2 3.8 30.0 6.0 99 99 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.758 80.1 117.2 94.7 28.4 1.6 31.2 8.9 100 100 A F < - 0 0 22 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.849 66.0-107.1-118.0 159.8 2.5 28.8 11.7 101 101 A I E -d 77 0A 59 -25,-2.7 -23,-2.2 -2,-0.3 2,-0.6 -0.708 26.5-141.9 -82.8 133.3 4.1 29.3 15.1 102 102 A F E -d 78 0A 3 -2,-0.4 2,-1.5 -25,-0.2 -23,-0.2 -0.883 13.1-134.7 -93.0 123.8 7.7 28.1 15.5 103 103 A I S S+ 0 0 3 -25,-2.6 -22,-0.2 -2,-0.6 210,-0.1 -0.658 80.7 51.8 -81.6 91.0 8.3 26.5 18.9 104 104 A G S S- 0 0 12 -2,-1.5 -2,-0.1 208,-0.1 188,-0.1 -0.941 100.1 -48.5 165.1-175.9 11.7 28.3 19.5 105 105 A P S S- 0 0 2 0, 0.0 164,-0.1 0, 0.0 166,-0.1 -0.199 74.4 -68.8 -75.2 175.6 13.0 31.8 19.5 106 106 A K >> - 0 0 99 162,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.272 46.6-115.0 -56.8 149.8 12.6 34.4 16.7 107 107 A A H 3> S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 117.7 58.8 -58.0 -37.9 14.5 33.5 13.5 108 108 A E H 3> S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 105.9 49.1 -56.2 -40.7 16.7 36.6 14.0 109 109 A T H <> S+ 0 0 9 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.883 109.5 50.0 -69.8 -42.4 17.7 35.2 17.4 110 110 A I H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.910 113.1 48.0 -58.1 -43.3 18.6 31.8 15.9 111 111 A R H X S+ 0 0 95 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.914 110.5 51.7 -66.1 -43.6 20.6 33.5 13.2 112 112 A L H < S+ 0 0 54 -4,-2.4 3,-0.3 1,-0.2 7,-0.3 0.900 115.8 38.9 -60.5 -46.7 22.4 35.7 15.9 113 113 A M H < S+ 0 0 1 -4,-2.3 176,-0.4 1,-0.2 -1,-0.2 0.694 108.2 64.8 -78.8 -19.0 23.5 32.8 18.0 114 114 A G H < S+ 0 0 37 -4,-1.6 2,-0.8 -5,-0.2 -1,-0.2 0.755 91.3 69.3 -70.9 -27.4 24.2 30.6 15.0 115 115 A D S X S- 0 0 59 -4,-1.1 4,-2.6 -3,-0.3 5,-0.2 -0.865 77.8-156.4 -94.3 107.7 27.0 33.0 14.0 116 116 A K H > S+ 0 0 18 45,-2.8 4,-2.3 -2,-0.8 5,-0.2 0.868 88.4 49.6 -60.9 -40.1 29.6 32.4 16.7 117 117 A V H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 114.1 43.7 -62.9 -50.0 31.3 35.8 16.4 118 118 A S H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.881 112.7 54.4 -64.6 -37.5 28.1 37.8 16.6 119 119 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 -7,-0.3 -2,-0.2 0.929 109.7 45.6 -59.7 -49.7 26.8 35.6 19.5 120 120 A I H X S+ 0 0 14 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.923 111.2 53.4 -61.8 -44.7 29.9 36.3 21.6 121 121 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 110.9 46.7 -56.1 -43.8 29.7 40.0 20.8 122 122 A A H X S+ 0 0 21 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.928 114.3 47.3 -65.3 -43.8 26.1 40.0 22.0 123 123 A M H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.891 111.0 50.6 -66.0 -42.0 27.0 38.1 25.1 124 124 A K H ><5S+ 0 0 115 -4,-3.2 3,-1.1 1,-0.2 -1,-0.2 0.933 110.1 50.7 -59.3 -47.4 30.0 40.3 25.9 125 125 A K H 3<5S+ 0 0 190 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 108.7 52.7 -55.4 -40.9 27.9 43.4 25.6 126 126 A A H 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.571 123.3-101.8 -75.9 -11.9 25.3 41.9 28.0 127 127 A G T <<5S+ 0 0 39 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.565 72.7 142.7 100.8 11.3 27.8 41.2 30.7 128 128 A V < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.728 56.2-116.1 -82.5 126.6 28.3 37.4 30.2 129 129 A P - 0 0 38 0, 0.0 157,-3.0 0, 0.0 2,-0.2 -0.487 39.2-174.1 -65.9 130.3 32.0 36.4 30.7 130 130 A C B -e 286 0B 21 155,-0.3 157,-0.1 -2,-0.2 3,-0.1 -0.694 34.4 -81.7-116.3 169.8 33.5 35.1 27.5 131 131 A V - 0 0 6 155,-1.1 2,-0.1 -2,-0.2 -1,-0.1 -0.534 57.3 -97.2 -67.5 135.1 36.9 33.5 26.6 132 132 A P S S+ 0 0 59 0, 0.0 70,-2.9 0, 0.0 2,-0.2 -0.406 73.8 139.4 -50.6 126.4 39.6 36.1 26.1 133 133 A G B -M 201 0C 3 68,-0.2 68,-0.2 -2,-0.1 -3,-0.0 -0.861 66.7 -71.3-158.4-171.5 39.6 36.4 22.4 134 134 A S - 0 0 17 66,-2.3 67,-0.1 -2,-0.2 15,-0.0 0.673 51.4-144.4 -70.6 -20.4 39.8 38.4 19.2 135 135 A D S S+ 0 0 79 65,-0.4 66,-0.1 1,-0.1 -18,-0.0 0.943 75.3 27.3 48.2 56.1 36.4 40.0 19.7 136 136 A G S S- 0 0 19 64,-0.1 64,-0.4 2,-0.0 -2,-0.1 -0.759 106.4 -54.4 145.8 168.1 35.7 39.9 16.0 137 137 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 62,-0.2 -0.431 54.6-113.6 -71.2 147.4 36.7 38.0 12.8 138 138 A L - 0 0 6 60,-2.4 60,-0.4 -2,-0.1 2,-0.1 -0.684 34.0-158.8 -78.3 133.4 40.4 37.6 12.0 139 139 A G - 0 0 41 -2,-0.4 -1,-0.1 2,-0.2 6,-0.0 -0.109 35.6 -87.1 -93.7-160.4 41.5 39.4 8.8 140 140 A D S S+ 0 0 146 -2,-0.1 2,-1.1 4,-0.0 3,-0.1 0.495 91.7 106.8 -92.5 -7.0 44.4 38.9 6.5 141 141 A D > - 0 0 65 1,-0.2 4,-2.2 2,-0.1 3,-0.2 -0.641 48.8-171.4 -77.6 99.9 46.8 41.2 8.5 142 142 A M H > S+ 0 0 42 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.744 84.4 58.8 -67.3 -25.6 49.2 38.7 10.2 143 143 A D H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 109.2 45.6 -63.2 -44.9 50.8 41.5 12.3 144 144 A K H > S+ 0 0 141 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 113.0 50.0 -64.7 -42.5 47.3 42.2 13.7 145 145 A N H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.873 110.2 49.8 -64.9 -39.6 46.7 38.5 14.2 146 146 A R H X S+ 0 0 84 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 109.5 52.6 -63.0 -40.3 50.0 38.1 16.0 147 147 A A H X S+ 0 0 59 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.879 108.4 49.9 -63.8 -41.1 49.1 41.1 18.2 148 148 A I H X S+ 0 0 34 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.947 111.9 48.8 -59.4 -49.8 45.8 39.5 19.2 149 149 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.880 112.6 47.5 -58.4 -42.2 47.6 36.2 20.0 150 150 A K H < S+ 0 0 179 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.907 112.4 49.2 -66.0 -43.6 50.2 38.1 22.2 151 151 A R H < S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 118.8 39.1 -61.4 -45.7 47.5 40.1 24.0 152 152 A I H < S- 0 0 18 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.913 112.2-129.5 -67.9 -46.4 45.5 36.9 24.7 153 153 A G < - 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