==== 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 HYDROLASE 05-MAR-13 4JID . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE FAMILY PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MINASOV,Z.WAWRZAK,O.ONOPRIYENKO,T.SKARINA,S.SHATSMAN,S.N.P . 363 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.8 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 . 2 0.6 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 . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 1 0 1 1 2 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 6 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 . 2 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 -2 A S 0 0 142 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.9 40.1 33.3 10.3 2 -1 A N + 0 0 106 2,-0.1 17,-2.3 16,-0.1 2,-0.5 0.408 360.0 95.6-115.7 -8.9 42.1 34.0 13.5 3 0 A A B S-a 19 0A 75 15,-0.2 17,-0.2 1,-0.1 15,-0.1 -0.772 79.3-115.8 -97.8 128.0 42.4 30.3 14.4 4 55 A A > - 0 0 11 15,-2.9 3,-0.5 -2,-0.5 2,-0.2 -0.269 28.4-134.8 -59.6 133.0 45.4 28.2 13.5 5 56 A S T 3 S+ 0 0 69 1,-0.3 8,-0.4 8,-0.2 4,-0.2 -0.566 86.1 13.6 -87.7 155.9 44.6 25.3 11.2 6 57 A S T > S- 0 0 94 -2,-0.2 3,-1.9 1,-0.1 -1,-0.3 0.911 79.9-178.9 39.5 55.0 46.0 21.9 11.9 7 58 A F T < S+ 0 0 82 -3,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.740 73.0 49.9 -54.4 -31.4 46.9 23.2 15.3 8 59 A A T 3 S+ 0 0 44 3,-0.1 -1,-0.3 12,-0.0 2,-0.2 0.350 86.7 114.2 -92.2 4.8 48.5 19.8 16.5 9 60 A S S X S- 0 0 42 -3,-1.9 3,-2.0 -4,-0.2 -4,-0.0 -0.505 75.1-125.9 -79.9 149.2 50.7 19.4 13.4 10 61 A V T 3 S+ 0 0 20 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.720 115.0 47.3 -61.7 -20.5 54.5 19.6 13.7 11 62 A Q T 3 S+ 0 0 60 -5,-0.1 -1,-0.3 2,-0.1 155,-0.1 0.212 81.2 137.6-107.9 15.2 54.2 22.3 11.0 12 63 A A < - 0 0 6 -3,-2.0 2,-0.6 -6,-0.1 -6,-0.1 -0.285 49.5-135.2 -62.1 141.3 51.5 24.4 12.5 13 64 A V + 0 0 2 -8,-0.4 2,-0.5 171,-0.1 -8,-0.2 -0.908 25.9 176.7-103.3 114.5 51.9 28.2 12.4 14 65 A V + 0 0 0 -2,-0.6 88,-0.3 -10,-0.1 2,-0.2 -0.988 24.8 124.3-116.1 119.4 51.1 29.9 15.7 15 66 A N S S- 0 0 12 3,-1.9 -11,-0.1 -2,-0.5 140,-0.1 -0.847 74.8 -54.8-155.3-167.2 51.7 33.6 15.8 16 67 A K S S+ 0 0 120 138,-0.4 3,-0.1 -2,-0.2 139,-0.1 0.896 136.2 32.2 -48.9 -45.9 50.1 37.0 16.4 17 68 A E S S+ 0 0 91 1,-0.1 2,-0.7 83,-0.0 -1,-0.2 0.921 114.0 60.5 -79.0 -46.2 47.4 36.3 13.9 18 69 A Y - 0 0 33 -15,-0.1 -3,-1.9 82,-0.1 -15,-0.2 -0.783 68.0-172.3 -97.5 114.3 47.0 32.5 14.3 19 70 A G B -a 3 0A 8 -17,-2.3 -15,-2.9 -2,-0.7 81,-0.2 -0.619 15.8-127.9-103.7 158.9 45.9 31.2 17.7 20 71 A L - 0 0 12 79,-2.0 2,-0.1 -2,-0.2 -15,-0.1 -0.595 42.7 -78.6 -98.4 163.5 45.6 27.7 19.2 21 72 A P > - 0 0 38 0, 0.0 3,-2.2 0, 0.0 57,-0.1 -0.404 37.4-131.6 -59.7 133.6 42.7 26.2 21.0 22 73 A E T 3 S+ 0 0 130 1,-0.3 56,-0.2 -2,-0.1 57,-0.2 0.783 109.3 49.4 -57.2 -28.7 42.6 27.5 24.5 23 74 A D T 3 S+ 0 0 148 55,-0.1 2,-0.6 54,-0.1 -1,-0.3 0.126 82.2 123.8 -99.0 19.2 42.2 23.9 25.7 24 75 A Y < + 0 0 29 -3,-2.2 54,-0.3 -17,-0.0 75,-0.1 -0.759 22.9 157.0 -87.6 118.7 45.1 22.5 23.6 25 76 A K - 0 0 119 -2,-0.6 80,-0.1 52,-0.1 79,-0.0 -0.952 45.0-116.3-136.9 115.1 47.7 20.6 25.6 26 77 A P > - 0 0 6 0, 0.0 3,-0.5 0, 0.0 80,-0.0 -0.173 16.3-147.4 -51.2 140.9 49.8 18.0 23.7 27 78 A E T 3 S+ 0 0 201 1,-0.2 21,-0.0 21,-0.0 0, 0.0 0.480 88.5 59.6 -95.2 1.6 49.2 14.5 24.9 28 79 A D T 3 + 0 0 56 2,-0.1 21,-2.3 0, 0.0 2,-0.3 -0.101 68.5 149.9-120.3 34.3 52.8 13.2 24.3 29 80 A L E < +B 48 0B 36 -3,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.509 13.5 162.3 -69.8 131.4 54.8 15.6 26.5 30 81 A V E -B 47 0B 60 17,-2.6 17,-2.2 -2,-0.3 -2,-0.1 -0.897 41.6-104.9-139.2 166.2 58.0 14.1 27.9 31 82 A V - 0 0 55 -2,-0.3 2,-0.2 15,-0.2 15,-0.2 -0.835 35.1-128.2 -93.3 125.1 61.2 15.7 29.4 32 83 A P - 0 0 1 0, 0.0 2,-2.1 0, 0.0 21,-0.1 -0.579 19.7-119.2 -74.3 142.5 64.2 15.6 27.1 33 84 A N S S+ 0 0 146 -2,-0.2 -2,-0.0 19,-0.1 19,-0.0 -0.542 75.3 112.4 -78.6 73.6 67.3 14.1 28.7 34 85 A V S S- 0 0 19 -2,-2.1 2,-0.2 37,-0.0 36,-0.1 -0.877 76.0 -84.4-135.9 166.9 69.4 17.2 28.2 35 86 A P - 0 0 69 0, 0.0 36,-2.5 0, 0.0 2,-0.3 -0.553 43.6-154.5 -78.2 147.2 70.9 19.6 30.7 36 87 A F B -c 71 0C 46 34,-0.2 186,-0.2 -2,-0.2 36,-0.2 -0.860 23.6-133.7-117.9 155.0 68.6 22.5 31.9 37 88 A S S S+ 0 0 31 34,-2.1 2,-0.3 -2,-0.3 35,-0.1 0.498 93.7 50.5 -81.8 -6.6 69.4 25.9 33.2 38 89 A F S S- 0 0 18 33,-0.4 183,-0.3 183,-0.1 2,-0.2 -0.915 83.9-116.0-131.7 158.1 66.9 25.3 36.0 39 90 A S + 0 0 45 181,-2.3 -2,-0.1 -2,-0.3 2,-0.0 -0.602 67.3 17.3 -98.0 156.2 66.4 22.6 38.5 40 91 A G S S- 0 0 53 -2,-0.2 2,-0.6 1,-0.1 -2,-0.1 -0.162 91.8 -63.8 82.3-175.9 63.4 20.2 39.0 41 92 A T + 0 0 69 -2,-0.0 2,-0.2 3,-0.0 -1,-0.1 -0.945 60.7 159.5-115.4 110.3 60.6 19.2 36.7 42 93 A L > - 0 0 11 -2,-0.6 3,-2.3 255,-0.1 4,-0.3 -0.705 58.8 -90.1-120.6 174.6 58.3 22.1 35.8 43 94 A E G > S+ 0 0 49 1,-0.3 3,-1.5 -2,-0.2 32,-0.3 0.883 125.5 59.7 -54.9 -35.5 55.8 22.6 32.9 44 95 A K G 3 S+ 0 0 30 1,-0.3 30,-2.2 30,-0.2 -1,-0.3 0.459 87.1 74.8 -76.8 -0.5 58.7 24.1 30.9 45 96 A S G < S+ 0 0 2 -3,-2.3 -1,-0.3 29,-0.1 2,-0.2 0.568 86.4 87.8 -81.9 -11.8 60.8 21.0 31.1 46 97 A Y < + 0 0 74 -3,-1.5 29,-2.8 -4,-0.3 2,-0.3 -0.608 44.1 168.9-100.5 152.6 58.6 19.3 28.5 47 98 A L E -B 30 0B 0 -17,-2.2 -17,-2.6 -2,-0.2 60,-0.2 -0.952 50.8 -81.6-144.6 156.3 58.4 19.0 24.8 48 99 A R E >> -B 29 0B 38 58,-3.2 4,-3.4 -2,-0.3 3,-0.8 -0.317 52.3-105.9 -58.1 141.0 56.3 16.8 22.6 49 100 A K H 3> S+ 0 0 99 -21,-2.3 4,-2.5 1,-0.3 5,-0.2 0.858 119.2 48.0 -36.7 -54.6 57.9 13.4 22.4 50 101 A E H 3> S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.875 115.5 43.4 -62.4 -38.4 59.1 13.9 18.8 51 102 A A H <> S+ 0 0 0 -3,-0.8 4,-2.0 55,-0.2 -1,-0.2 0.851 111.1 57.3 -76.8 -29.3 60.5 17.3 19.5 52 103 A A H X S+ 0 0 0 -4,-3.4 4,-1.8 2,-0.2 -2,-0.2 0.958 108.9 44.2 -63.2 -47.2 62.0 16.0 22.8 53 104 A E H X S+ 0 0 82 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.875 112.2 53.0 -67.3 -36.1 64.0 13.3 21.0 54 105 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.876 106.9 52.3 -64.3 -40.4 65.1 15.7 18.2 55 106 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.893 107.2 52.5 -65.1 -38.1 66.4 18.1 20.9 56 107 A E H X S+ 0 0 63 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.910 110.8 48.3 -61.3 -41.4 68.4 15.3 22.5 57 108 A R H X S+ 0 0 122 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.918 109.2 51.6 -68.7 -40.8 69.9 14.6 19.0 58 109 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.926 110.2 50.4 -60.4 -44.1 70.7 18.3 18.4 59 110 A F H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.847 108.3 51.4 -65.6 -34.4 72.5 18.4 21.8 60 111 A D H X S+ 0 0 105 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.903 110.5 50.0 -66.5 -40.3 74.6 15.3 21.0 61 112 A L H X S+ 0 0 38 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.908 110.8 49.2 -62.4 -41.7 75.6 17.0 17.7 62 113 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-1.2 0.931 108.6 53.1 -62.8 -46.1 76.6 20.1 19.6 63 114 A N H ><5S+ 0 0 79 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.795 99.9 61.8 -60.9 -33.1 78.6 18.1 22.1 64 115 A K H 3<5S+ 0 0 186 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.742 109.1 42.7 -65.7 -25.5 80.6 16.4 19.4 65 116 A E T <<5S- 0 0 101 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.017 124.8-103.1-106.7 23.5 81.9 19.8 18.3 66 117 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.561 76.1 140.6 70.5 11.6 82.5 20.9 21.9 67 118 A I < - 0 0 2 -5,-2.8 2,-0.8 -6,-0.2 -1,-0.2 -0.787 36.5-160.8 -92.8 115.7 79.3 23.1 22.0 68 119 A Q - 0 0 103 -2,-0.7 46,-0.4 -3,-0.1 2,-0.3 -0.858 13.6-177.2-102.2 105.7 77.6 22.8 25.4 69 120 A L - 0 0 2 -2,-0.8 2,-0.4 -10,-0.2 44,-0.2 -0.725 11.5-153.5-100.7 147.7 73.9 24.0 25.1 70 121 A N E - D 0 112C 31 42,-3.3 42,-2.8 -2,-0.3 2,-0.5 -0.971 16.6-127.8-122.2 139.8 71.4 24.3 27.9 71 122 A A E +cD 36 111C 0 -36,-2.5 -34,-2.1 -2,-0.4 -33,-0.4 -0.746 28.7 175.2 -80.8 128.0 67.6 24.0 27.6 72 123 A V E - 0 0 19 38,-3.1 2,-0.3 -2,-0.5 39,-0.2 0.817 60.9 -5.3-105.5 -43.7 65.9 27.1 29.3 73 124 A S E + D 0 110C 10 37,-1.2 37,-2.8 -28,-0.1 -1,-0.3 -0.851 59.2 161.9-161.2 124.4 62.2 26.9 28.6 74 125 A G + 0 0 0 -30,-2.2 -27,-0.2 1,-0.3 -30,-0.2 0.448 56.3 23.6-104.2-117.7 60.0 24.5 26.6 75 126 A F - 0 0 0 -29,-2.8 2,-0.4 -32,-0.3 -1,-0.3 -0.258 55.5-178.0 -60.5 137.4 56.2 23.9 26.8 76 127 A R - 0 0 46 27,-1.1 30,-0.1 25,-0.1 25,-0.1 -0.977 20.3-133.5-137.3 123.6 54.0 26.7 28.3 77 128 A S > - 0 0 17 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.201 22.9-110.8 -73.9 161.9 50.3 26.1 28.7 78 129 A Y H > S+ 0 0 31 -54,-0.3 4,-2.3 -56,-0.2 5,-0.2 0.957 119.2 54.3 -53.4 -54.8 47.5 28.5 27.7 79 130 A D H > S+ 0 0 97 1,-0.2 4,-1.6 -57,-0.2 3,-0.3 0.934 111.6 44.2 -47.4 -53.9 46.7 29.0 31.4 80 131 A Y H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 110.4 54.3 -58.4 -45.0 50.3 30.0 32.2 81 132 A Q H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.844 104.8 56.7 -61.0 -32.3 50.5 32.2 29.1 82 133 A K H X S+ 0 0 107 -4,-2.3 4,-2.6 -3,-0.3 -1,-0.2 0.948 110.1 41.6 -63.8 -50.4 47.4 34.1 30.3 83 134 A K H X S+ 0 0 98 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.966 115.2 51.1 -62.0 -52.7 48.9 35.1 33.7 84 135 A L H X S+ 0 0 24 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.897 112.9 46.4 -50.2 -47.7 52.3 35.9 32.1 85 136 A Y H X S+ 0 0 75 -4,-2.4 4,-1.9 -5,-0.2 3,-0.3 0.942 114.6 45.8 -63.0 -49.9 50.7 38.1 29.5 86 137 A A H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 115.7 45.1 -60.1 -47.9 48.4 40.0 32.0 87 138 A N H < S+ 0 0 26 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.673 113.6 51.8 -70.6 -18.9 51.2 40.5 34.6 88 139 A N H < S+ 0 0 40 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.773 107.6 51.4 -87.5 -30.7 53.5 41.6 31.8 89 140 A V H < S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.904 105.7 53.2 -73.1 -42.7 51.1 44.2 30.4 90 141 A K S < S+ 0 0 142 -4,-1.9 2,-2.7 1,-0.2 -1,-0.2 0.704 83.6 92.7 -68.2 -17.0 50.4 45.9 33.7 91 142 A R + 0 0 127 -4,-0.3 -1,-0.2 1,-0.2 -4,-0.0 -0.458 58.8 100.1 -74.6 69.9 54.2 46.3 34.1 92 143 A K 0 0 170 -2,-2.7 -1,-0.2 1,-0.2 -2,-0.0 -0.249 360.0 360.0-150.8 49.0 53.9 49.8 32.5 93 144 A G 0 0 74 0, 0.0 -1,-0.2 0, 0.0 244,-0.1 -0.883 360.0 360.0 151.8 360.0 54.0 52.3 35.4 94 ! 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 95 152 A S 0 0 81 0, 0.0 2,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 130.9 55.2 38.5 25.5 96 153 A A - 0 0 8 1,-0.1 5,-0.2 3,-0.0 -11,-0.1 -0.541 360.0-106.2 -88.8 150.9 52.6 36.7 23.5 97 154 A K > - 0 0 119 -2,-0.2 3,-2.3 3,-0.2 -15,-0.1 -0.411 54.3 -80.2 -68.5 149.0 48.8 36.6 24.1 98 155 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 -0.265 121.4 18.4 -54.2 133.2 47.5 33.4 25.5 99 156 A G T 3 S+ 0 0 2 2,-0.1 -79,-2.0 -3,-0.1 -84,-0.1 -0.004 110.6 80.3 95.9 -27.9 47.0 30.9 22.6 100 157 A H < + 0 0 31 -3,-2.3 2,-0.5 -81,-0.2 -3,-0.2 0.065 67.5 101.6 -99.3 18.8 49.4 32.9 20.3 101 158 A S > - 0 0 7 -5,-0.2 3,-2.2 -4,-0.1 4,-0.2 -0.934 65.3-146.6-108.8 126.0 52.6 31.5 21.8 102 159 A E G > >S+ 0 0 1 -2,-0.5 3,-1.8 1,-0.3 5,-0.6 0.713 93.1 77.4 -57.3 -24.9 54.4 28.8 19.9 103 160 A H G > 5S+ 0 0 7 1,-0.3 -27,-1.1 2,-0.2 3,-1.0 0.724 82.9 65.2 -59.6 -23.5 55.5 27.4 23.3 104 161 A Q G < 5S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.617 88.1 68.8 -75.8 -11.4 52.0 25.9 23.7 105 162 A T G < 5S- 0 0 3 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.671 101.4-132.0 -77.9 -18.2 52.7 23.6 20.8 106 163 A G T < 5S+ 0 0 0 -3,-1.0 -58,-3.2 -4,-0.3 -55,-0.2 0.654 87.6 96.1 72.6 15.6 55.2 21.7 22.8 107 164 A L < + 0 0 3 -5,-0.6 58,-3.2 -60,-0.2 2,-0.4 0.340 65.3 84.4-114.0 -0.6 57.6 22.0 19.8 108 165 A T E + E 0 164C 0 -6,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.838 49.4 178.1-112.8 147.0 59.5 25.0 20.9 109 166 A M E - 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J 0 344E 0 -6,-0.4 2,-0.4 56,-0.2 56,-0.2 -0.945 52.5-178.7-119.3 139.9 68.5 40.4 49.4 289 166 B M E - J 0 343E 0 54,-2.4 54,-1.8 -2,-0.4 2,-0.4 -0.996 21.8-140.2-136.8 122.7 67.2 37.1 48.0 290 167 B D E -IJ 256 342E 2 -34,-3.1 -35,-2.4 -2,-0.4 -34,-1.4 -0.742 31.1-171.3 -79.5 135.6 64.5 36.7 45.4 291 168 B V E +I 254 0E 0 50,-2.8 2,-0.2 -2,-0.4 -37,-0.2 -0.940 14.6 157.2-132.6 146.6 62.4 33.6 46.4 292 169 B S E -I 253 0E 0 -39,-2.3 -39,-2.3 -2,-0.3 2,-0.3 -0.735 25.2-125.1-147.7-163.2 59.6 31.6 44.6 293 170 B S > > - 0 0 0 6,-0.3 5,-3.0 -2,-0.2 3,-2.0 -0.979 31.3-103.0-152.6 162.3 58.0 28.1 44.7 294 171 B K G > 5S+ 0 0 139 -43,-0.4 3,-1.7 -2,-0.3 -1,-0.1 0.828 119.1 63.1 -57.9 -31.5 57.2 25.2 42.4 295 172 B S G 3 5S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.1 13,-0.0 0.658 109.7 39.1 -70.2 -16.2 53.6 26.5 42.3 296 173 B A G X 5S- 0 0 3 -3,-2.0 3,-1.9 8,-0.0 -1,-0.3 0.028 122.3-107.9-114.3 21.4 54.8 29.7 40.7 297 174 B N T < 5 - 0 0 31 -3,-1.7 -3,-0.3 1,-0.3 -2,-0.1 0.748 59.5 -78.1 58.3 29.0 57.3 27.7 38.5 298 175 B N T 3 S- 0 0 45 -2,-1.5 3,-1.3 -5,-0.2 4,-0.3 -0.844 71.9-112.4-125.3 162.1 56.3 36.6 38.7 302 179 B L G >> S+ 0 0 39 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.750 109.0 76.3 -63.0 -27.6 53.2 38.3 40.3 303 180 B T G >4 S+ 0 0 30 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.800 82.2 69.9 -53.4 -32.3 51.4 34.9 40.2 304 181 B F G X4 S+ 0 0 0 -3,-1.3 3,-2.2 1,-0.2 6,-0.6 0.879 87.3 63.9 -53.7 -38.7 53.7 34.0 43.2 305 182 B A G <4 S+ 0 0 11 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.797 102.8 50.1 -55.4 -30.4 51.7 36.5 45.4 306 183 B N G << S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.5 2,-0.3 0.226 92.0 93.7 -95.6 10.4 48.6 34.3 44.9 307 184 B T S <> S- 0 0 17 -3,-2.2 4,-1.7 1,-0.1 3,-0.2 -0.685 85.9-117.1 -98.2 161.4 50.2 31.0 45.8 308 185 B K H > S+ 0 0 121 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.848 115.6 56.0 -65.0 -32.8 50.0 29.7 49.4 309 186 B E H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.837 108.3 45.8 -68.5 -35.8 53.9 30.0 49.6 310 187 B G H > S+ 0 0 3 -6,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.789 112.5 51.0 -77.1 -30.7 53.9 33.7 48.7 311 188 B K H X S+ 0 0 115 -4,-1.7 4,-1.6 -7,-0.2 -2,-0.2 0.917 110.8 48.3 -71.4 -43.3 51.1 34.4 51.1 312 189 B W H X S+ 0 0 17 -4,-2.4 4,-1.4 2,-0.2 5,-0.2 0.895 111.4 51.1 -61.9 -40.7 52.9 32.6 53.8 313 190 B L H >X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 3,-0.8 0.957 105.6 54.9 -63.3 -48.0 56.1 34.6 53.0 314 191 B K H 3< S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.878 118.0 36.0 -50.5 -39.5 54.3 37.9 53.1 315 192 B E H 3< S+ 0 0 77 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.544 126.4 33.9 -93.7 -10.7 53.1 37.1 56.7 316 193 B N H X< S+ 0 0 23 -4,-1.4 3,-2.0 -3,-0.8 4,-0.4 0.524 82.4 95.6-124.3 -9.4 56.1 35.2 58.1 317 194 B A G ><>S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.3 5,-1.7 0.856 81.3 63.4 -52.3 -38.5 59.3 36.7 56.5 318 195 B H G > 5S+ 0 0 20 1,-0.3 3,-1.2 3,-0.2 -1,-0.3 0.657 84.7 73.3 -63.4 -21.0 59.7 39.0 59.6 319 196 B R G < 5S+ 0 0 90 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.720 106.1 38.2 -65.9 -19.3 60.1 36.0 61.9 320 197 B A G < 5S- 0 0 9 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.187 127.5 -92.5-117.0 16.4 63.6 35.7 60.3 321 198 B G T < 5S+ 0 0 7 -3,-1.2 25,-3.5 1,-0.3 26,-1.4 0.560 85.6 127.0 86.0 12.3 64.5 39.3 60.0 322 199 B F E < -K 345 0E 1 -5,-1.7 2,-0.3 23,-0.3 -1,-0.3 -0.731 38.6-165.2-105.7 151.7 63.2 39.8 56.4 323 200 B I E -K 344 0E 10 21,-2.1 21,-2.2 -2,-0.3 2,-1.0 -0.968 34.5-110.1-131.4 145.9 60.8 42.3 54.9 324 201 B I E -K 343 0E 27 -2,-0.3 19,-0.2 -10,-0.2 17,-0.0 -0.701 38.1-158.6 -72.1 107.6 58.9 42.3 51.6 325 202 B R S S+ 0 0 1 17,-1.6 35,-0.3 -2,-1.0 -1,-0.2 0.863 77.4 35.1 -62.6 -39.8 61.0 45.1 50.2 326 203 B Y S S- 0 0 4 16,-0.5 13,-2.0 13,-0.4 -1,-0.3 -0.663 79.3-176.9-120.3 75.4 58.6 46.3 47.6 327 204 B P > - 0 0 28 0, 0.0 3,-1.4 0, 0.0 7,-0.2 -0.283 36.8 -88.4 -74.3 157.4 54.9 45.9 48.9 328 205 B K T 3 S+ 0 0 161 1,-0.2 9,-0.1 2,-0.1 11,-0.0 -0.287 111.6 23.7 -64.3 143.8 51.8 46.6 46.8 329 206 B G T 3 S+ 0 0 71 -3,-0.1 -1,-0.2 1,-0.0 3,-0.2 0.472 100.8 90.9 80.5 2.5 50.6 50.2 46.9 330 207 B K X>> + 0 0 46 -3,-1.4 4,-2.5 6,-0.2 3,-2.0 0.234 44.1 117.3-110.5 12.4 54.0 51.5 47.9 331 208 B E H 3>5S+ 0 0 78 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.850 76.5 50.5 -48.6 -44.8 55.3 52.2 44.4 332 209 B S H 345S+ 0 0 109 2,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.630 116.8 41.5 -73.4 -14.3 55.6 56.0 45.0 333 210 B I H <45S+ 0 0 65 -3,-2.0 -2,-0.2 3,-0.1 -1,-0.1 0.880 126.2 29.1 -93.1 -57.5 57.6 55.3 48.2 334 211 B T H <5S- 0 0 5 -4,-2.5 -135,-0.4 2,-0.2 -3,-0.2 0.816 95.4-131.0 -72.8 -34.0 59.9 52.5 47.2 335 212 B G S < + 0 0 12 -13,-2.0 3,-1.8 -3,-0.1 -13,-0.4 -0.713 8.8 174.9-131.4 80.4 57.7 42.3 44.1 340 217 B P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 0.662 81.4 54.8 -61.6 -15.3 56.1 39.5 46.2 341 218 B W T 3 S+ 0 0 18 1,-0.1 -50,-2.8 -3,-0.1 2,-0.7 0.528 88.2 92.0 -92.8 -10.0 59.3 37.4 45.5 342 219 B H E < +J 290 0E 2 -3,-1.8 -17,-1.6 -52,-0.2 -16,-0.5 -0.783 49.6 175.8-102.3 109.7 61.8 39.9 46.8 343 220 B I E -JK 289 324E 0 -54,-1.8 -54,-2.4 -2,-0.7 2,-0.4 -0.879 11.7-160.7-112.3 138.6 62.8 39.7 50.5 344 221 B R E -JK 288 323E 0 -21,-2.2 -21,-2.1 -2,-0.4 2,-0.5 -0.967 18.2-130.8-117.0 130.4 65.5 41.8 52.2 345 222 B Y E + K 0 322E 23 -58,-3.5 -23,-0.3 -2,-0.4 -24,-0.1 -0.732 38.4 156.4 -81.5 123.9 67.2 40.9 55.5 346 223 B V - 0 0 1 -25,-3.5 3,-0.5 -2,-0.5 2,-0.2 0.400 41.2-135.1-122.6 -7.7 67.1 43.9 57.9 347 224 B G > - 0 0 7 -26,-1.4 3,-1.9 1,-0.2 -1,-0.3 -0.561 65.7 -6.6 89.2-151.9 67.4 42.1 61.2 348 225 B D T >> S+ 0 0 161 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.844 122.5 68.9 -52.3 -37.3 65.4 42.8 64.4 349 226 B I H 3> S+ 0 0 18 -3,-0.5 4,-2.3 1,-0.3 -1,-0.3 0.525 77.9 83.3 -64.4 -3.8 63.6 45.8 62.9 350 227 B A H <> S+ 0 0 0 -3,-1.9 4,-2.8 2,-0.2 -1,-0.3 0.860 85.3 56.1 -65.8 -35.9 61.7 43.5 60.5 351 228 B E H <> S+ 0 0 85 -3,-1.5 4,-2.8 -4,-0.3 5,-0.2 0.950 111.1 44.0 -60.4 -49.0 59.1 42.8 63.2 352 229 B S H X S+ 0 0 29 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.902 113.3 50.0 -63.9 -44.6 58.4 46.5 63.6 353 230 B I H X>S+ 0 0 6 -4,-2.3 5,-2.5 2,-0.2 4,-0.6 0.916 114.7 44.8 -62.3 -42.3 58.3 47.1 59.9 354 231 B Y H ><5S+ 0 0 60 -4,-2.8 3,-1.1 3,-0.2 -2,-0.2 0.964 114.1 47.7 -64.9 -52.5 55.9 44.3 59.3 355 232 B K H 3<5S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.852 115.9 43.7 -59.3 -38.9 53.6 45.2 62.3 356 233 B K H 3<5S- 0 0 138 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.528 107.9-125.6 -84.6 -5.4 53.4 48.8 61.3 357 234 B K T <<5 + 0 0 126 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.928 60.0 148.9 60.7 49.0 52.9 48.0 57.6 358 235 B L < - 0 0 45 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.602 47.9-125.3-111.4 167.3 55.9 50.2 56.6 359 236 B T > - 0 0 2 -2,-0.2 4,-2.6 1,-0.1 3,-0.2 -0.708 32.5-112.2-102.5 162.4 58.6 50.3 54.0 360 237 B L H > S+ 0 0 0 -35,-0.3 4,-2.5 -2,-0.3 6,-0.2 0.903 119.6 57.9 -60.4 -41.8 62.2 50.6 54.9 361 238 B E H 4>S+ 0 0 4 1,-0.2 5,-2.6 2,-0.2 -1,-0.2 0.869 110.1 44.8 -54.3 -40.4 62.3 54.1 53.5 362 239 B E H >45S+ 0 0 64 3,-0.2 3,-2.0 2,-0.2 -2,-0.2 0.929 109.2 53.1 -71.0 -47.9 59.5 55.0 56.0 363 240 B Y H 3<5S+ 0 0 81 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 113.1 47.1 -54.2 -38.4 61.2 53.3 58.9 364 241 B M T 3<5S- 0 0 51 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.284 111.6-118.6 -88.6 8.8 64.3 55.3 58.2 365 242 B N T < 5 0 0 152 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.722 360.0 360.0 62.0 23.7 62.5 58.7 57.8 366 243 B L < 0 0 110 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.892 360.0 360.0 -88.7 360.0 63.6 59.0 54.1