==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-MAR-00 1EPV . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.D.FENN,G.F.STAMPER,A.A.MOROLLO,D.RINGE . 764 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 12.6 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 . 8 1.0 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 . 51 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 6 0 3 2 1 2 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 10 4 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 PARALLEL BRIDGES PER LADDER . 0 6 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 0 2 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 2 A N 0 0 117 0, 0.0 2,-0.3 0, 0.0 376,-0.1 0.000 360.0 360.0 360.0 157.2 8.0 29.3 90.3 2 3 A D - 0 0 108 380,-0.1 2,-0.3 376,-0.1 380,-0.2 -0.907 360.0-158.8-137.6 161.1 8.0 33.1 89.2 3 4 A F - 0 0 25 -2,-0.3 378,-0.0 378,-0.1 446,-0.0 -0.996 8.7-161.4-144.3 150.7 9.6 35.8 86.9 4 5 A H + 0 0 30 -2,-0.3 445,-0.4 2,-0.0 2,-0.3 0.034 67.7 72.3-122.0 23.6 9.8 39.5 86.9 5 6 A R S S- 0 0 11 2,-0.2 2,-1.5 443,-0.1 465,-0.1 -0.979 80.7-120.4-130.3 145.6 10.8 40.6 83.4 6 7 A D S S+ 0 0 38 -2,-0.3 243,-0.7 243,-0.1 2,-0.3 -0.475 81.9 95.8 -90.6 67.9 8.3 40.4 80.4 7 8 A T E +A 248 0A 0 -2,-1.5 2,-0.3 241,-0.2 241,-0.2 -0.933 46.3 151.0-151.7 122.8 10.4 38.1 78.3 8 9 A W E -A 247 0A 17 239,-2.1 239,-3.2 -2,-0.3 2,-0.4 -0.971 36.7-133.2-154.3 161.5 9.8 34.4 78.3 9 10 A A E -Ab 246 365A 0 355,-2.2 357,-2.5 -2,-0.3 2,-0.4 -0.918 20.0-150.4-114.9 141.0 10.1 31.3 76.1 10 11 A E E -Ab 245 366A 44 235,-2.7 235,-1.7 -2,-0.4 2,-0.5 -0.929 4.6-161.6-114.1 143.6 7.2 28.9 75.9 11 12 A V E -Ab 244 367A 0 355,-2.4 357,-2.1 -2,-0.4 2,-0.9 -0.996 12.1-145.2-123.1 123.6 7.8 25.2 75.3 12 13 A D E > - b 0 368A 65 231,-2.1 4,-1.1 -2,-0.5 3,-0.4 -0.827 13.2-173.3 -94.7 107.2 4.8 23.2 74.1 13 14 A L H > S+ 0 0 0 355,-2.2 4,-1.9 -2,-0.9 356,-0.2 0.623 80.4 66.2 -74.3 -14.3 5.1 19.8 75.6 14 15 A D H > S+ 0 0 28 354,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.875 100.1 52.4 -72.0 -36.3 2.1 18.4 73.6 15 16 A A H > S+ 0 0 4 -3,-0.4 4,-2.7 2,-0.2 226,-0.3 0.923 108.8 50.0 -61.8 -44.5 4.2 18.9 70.4 16 17 A I H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 5,-0.2 0.882 108.7 51.4 -64.4 -39.8 7.0 16.9 72.0 17 18 A Y H X S+ 0 0 59 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.965 112.7 46.8 -61.4 -48.8 4.6 14.1 73.0 18 19 A D H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.918 109.8 51.6 -59.8 -46.6 3.4 14.0 69.3 19 20 A N H X S+ 0 0 0 -4,-2.7 4,-0.7 204,-0.3 -1,-0.2 0.892 116.6 40.7 -58.5 -41.4 6.8 14.0 67.7 20 21 A V H X S+ 0 0 1 -4,-1.7 4,-1.8 203,-0.2 3,-0.3 0.882 113.9 51.8 -75.9 -38.5 8.0 11.1 69.9 21 22 A E H X S+ 0 0 59 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.902 106.1 54.5 -67.5 -38.7 4.7 9.1 69.7 22 23 A N H X S+ 0 0 30 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.3 0.785 107.8 51.0 -61.6 -31.0 4.7 9.3 65.9 23 24 A L H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.3 -1,-0.2 0.881 105.8 53.4 -76.3 -36.8 8.2 7.8 65.9 24 25 A R H < S+ 0 0 53 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.820 111.2 48.6 -65.2 -28.1 7.1 4.9 68.2 25 26 A R H < S+ 0 0 173 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.968 114.3 46.0 -72.4 -53.6 4.4 4.3 65.6 26 27 A L H < S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.1 0.827 102.3 70.4 -57.4 -45.5 6.9 4.4 62.7 27 28 A L S < S- 0 0 5 -4,-2.7 184,-0.1 1,-0.1 6,-0.0 -0.395 99.9 -86.8 -76.0 154.9 9.7 2.2 64.1 28 29 A P > - 0 0 53 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.449 38.4-117.1 -65.8 135.4 9.4 -1.7 64.6 29 30 A D T 3 S+ 0 0 153 1,-0.2 -2,-0.1 -4,-0.1 -3,-0.0 0.771 115.0 57.9 -46.2 -26.4 7.8 -2.4 67.9 30 31 A D T 3 S+ 0 0 119 2,-0.1 2,-0.6 1,-0.0 -1,-0.2 0.604 89.4 89.4 -76.5 -10.1 11.4 -4.3 69.0 31 32 A T S < S- 0 0 3 -3,-2.2 185,-0.3 -7,-0.1 184,-0.1 -0.845 72.5-149.6 -97.5 115.8 13.4 -1.1 68.4 32 33 A H E -g 216 0B 76 183,-3.0 185,-2.2 -2,-0.6 2,-0.6 -0.419 8.6-125.7 -82.1 157.9 13.6 1.2 71.4 33 34 A I E -g 217 0B 0 24,-0.5 26,-2.2 183,-0.2 27,-1.6 -0.906 13.6-165.1-111.3 119.8 13.8 5.0 71.5 34 35 A M E -gh 218 60B 2 183,-3.6 185,-1.9 -2,-0.6 2,-0.4 -0.899 16.9-151.7 -95.7 109.7 16.6 6.7 73.3 35 36 A A E -gh 219 61B 0 25,-2.4 27,-2.0 -2,-0.8 2,-0.7 -0.684 8.7-140.8 -81.9 130.6 15.5 10.4 73.6 36 37 A V E + h 0 62B 0 183,-2.3 27,-0.2 -2,-0.4 187,-0.1 -0.805 28.5 168.1-106.7 117.6 18.5 12.8 73.8 37 38 A V > + 0 0 1 25,-2.0 4,-2.2 -2,-0.7 3,-0.3 -0.090 22.7 145.9-111.3 30.3 18.1 15.7 76.1 38 39 A K H > + 0 0 0 24,-0.2 4,-3.1 2,-0.2 5,-0.2 -0.158 60.8 34.2 -63.1 161.7 21.7 17.0 76.2 39 40 A A H > S- 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 145.6 -50.8 56.1 43.6 22.2 20.8 76.6 40 41 A N H >>S- 0 0 24 -3,-0.3 5,-3.1 2,-0.2 4,-0.6 0.923 112.1 -48.2 58.4 49.5 19.2 21.1 78.8 41 42 A A H ><5S- 0 0 0 -4,-2.2 3,-1.9 3,-0.2 -2,-0.2 0.963 110.3 -50.6 52.7 60.3 17.2 19.3 76.2 42 43 A Y H 3<5S- 0 0 1 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.864 111.7 -49.5 47.8 43.4 18.5 21.5 73.4 43 44 A G H 3<5S+ 0 0 5 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.517 123.8 101.6 78.9 8.4 17.6 24.6 75.4 44 45 A H T <<5S- 0 0 1 -3,-1.9 -3,-0.2 -4,-0.6 -2,-0.1 0.579 97.8 -77.3-100.2 -14.0 14.0 23.4 76.1 45 46 A G >< - 0 0 0 -5,-3.1 4,-2.3 -6,-0.2 5,-0.3 0.568 36.9-135.4 113.1 97.6 14.3 22.1 79.8 46 47 A D H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.835 97.1 37.0 -50.4 -52.7 15.8 18.7 80.6 47 48 A V H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.867 115.3 53.8 -77.5 -31.3 13.5 17.1 83.0 48 49 A Q H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.947 114.8 39.8 -67.1 -45.6 10.3 18.4 81.4 49 50 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.950 114.8 54.5 -67.2 -45.7 11.2 17.1 78.0 50 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.906 109.5 46.5 -52.2 -49.5 12.6 13.8 79.5 51 52 A R H X S+ 0 0 80 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.921 115.3 47.1 -59.7 -47.9 9.3 13.1 81.5 52 53 A T H X S+ 0 0 1 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.906 112.0 49.1 -62.0 -42.9 7.2 13.9 78.3 53 54 A A H X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.7 0.910 108.1 52.7 -63.6 -45.6 9.3 11.7 76.0 54 55 A L H <5S+ 0 0 48 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.2 0.807 108.5 53.4 -61.3 -31.7 9.3 8.7 78.4 55 56 A E H <5S+ 0 0 107 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 106.7 51.4 -68.2 -42.5 5.4 9.1 78.4 56 57 A A H <5S- 0 0 6 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.558 136.9 -70.2 -74.6 -8.4 5.2 9.0 74.6 57 58 A G T <5S+ 0 0 26 -4,-0.7 -24,-0.5 -3,-0.4 -3,-0.2 0.362 87.4 130.7 137.4 -12.0 7.2 5.8 74.1 58 59 A A < - 0 0 9 -5,-2.4 -1,-0.3 -6,-0.1 -24,-0.2 -0.415 26.7-178.2 -71.6 151.6 10.9 6.5 74.9 59 60 A S + 0 0 48 -26,-2.2 2,-0.3 1,-0.2 -25,-0.2 0.619 62.9 36.6-122.3 -24.7 12.7 4.2 77.3 60 61 A R E -h 34 0B 51 -27,-1.6 -25,-2.4 19,-0.1 2,-0.3 -0.855 64.5-144.8-127.3 167.9 16.1 5.6 77.7 61 62 A L E -hi 35 81B 0 19,-2.6 21,-1.9 -2,-0.3 2,-0.4 -0.930 8.2-154.3-129.1 149.3 17.6 9.0 77.8 62 63 A A E +hi 36 82B 0 -27,-2.0 -25,-2.0 -2,-0.3 2,-0.3 -0.990 12.6 177.0-128.4 145.2 20.9 10.3 76.5 63 64 A V E - i 0 83B 2 19,-2.6 21,-3.1 -2,-0.4 22,-0.4 -0.834 32.7-121.5-138.0 167.2 23.0 13.2 77.7 64 65 A A S S+ 0 0 6 -2,-0.3 21,-1.1 19,-0.2 2,-0.3 0.880 85.9 3.2 -83.3 -41.9 26.5 14.8 76.7 65 66 A F S >> S- 0 0 9 19,-0.1 4,-1.1 20,-0.1 3,-1.0 -0.921 81.1 -93.1-142.5 168.2 28.5 14.6 79.9 66 67 A L H >> S+ 0 0 1 321,-0.5 4,-2.6 20,-0.4 3,-0.5 0.840 114.5 58.5 -53.4 -46.1 28.1 13.3 83.5 67 68 A D H 3> S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.829 104.8 53.5 -54.4 -34.9 26.8 16.4 85.3 68 69 A E H <> S+ 0 0 10 -3,-1.0 4,-1.1 2,-0.2 -1,-0.3 0.882 110.0 46.7 -70.3 -34.8 23.9 16.4 82.9 69 70 A A H S+ 0 0 0 -4,-1.1 5,-2.1 -3,-0.2 -1,-0.2 0.872 107.6 51.7 -70.6 -34.9 18.4 14.4 85.8 73 74 A R H ><5S+ 0 0 23 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.868 106.2 54.8 -65.1 -39.2 18.7 11.9 88.7 74 75 A E H 3<5S+ 0 0 171 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.3 53.5 -67.2 -25.8 18.3 14.7 91.3 75 76 A K T 3<5S- 0 0 88 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.188 127.2 -98.3 -97.3 18.9 15.1 15.8 89.7 76 77 A G T < 5 + 0 0 55 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.582 69.0 146.8 84.9 14.7 13.7 12.3 90.0 77 78 A I < + 0 0 10 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.715 17.4 177.3 -84.0 128.7 14.2 10.6 86.6 78 79 A E + 0 0 146 -2,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.386 42.6 111.9-113.0 3.8 14.8 6.9 87.2 79 80 A A S S- 0 0 18 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.0 -0.249 81.8 -79.7 -70.7 160.2 15.1 5.8 83.5 80 81 A P - 0 0 49 0, 0.0 -19,-2.6 0, 0.0 2,-0.4 -0.464 46.2-156.2 -69.3 144.5 18.4 4.6 82.0 81 82 A I E -ij 61 100B 3 18,-0.8 20,-4.1 -21,-0.2 2,-0.4 -0.973 7.6-163.2-128.9 134.9 20.9 7.4 81.0 82 83 A L E -ij 62 101B 2 -21,-1.9 -19,-2.6 -2,-0.4 2,-0.8 -0.957 13.3-145.9-110.3 134.4 23.7 7.1 78.5 83 84 A V E -ij 63 102B 0 18,-2.0 20,-0.8 -2,-0.4 -19,-0.2 -0.896 12.9-164.5 -94.6 112.3 26.5 9.7 78.6 84 85 A L + 0 0 7 -21,-3.1 -20,-0.2 -2,-0.8 -1,-0.1 0.750 64.0 47.9 -70.1 -27.9 27.3 10.1 74.9 85 86 A G S S- 0 0 6 -21,-1.1 18,-0.6 -22,-0.4 -2,-0.1 -0.138 98.7 -52.0-101.9-160.6 30.6 11.8 75.5 86 87 A A - 0 0 20 16,-0.1 -20,-0.4 -2,-0.1 2,-0.3 -0.328 45.5-178.3 -78.8 153.8 33.7 11.4 77.5 87 88 A S - 0 0 17 16,-0.2 301,-0.1 -22,-0.1 5,-0.0 -0.873 32.9 -94.8-139.0 173.8 34.0 11.0 81.3 88 89 A R > - 0 0 57 -2,-0.3 3,-1.0 299,-0.3 4,-0.1 -0.764 22.2-137.4 -93.4 139.1 36.7 10.7 83.9 89 90 A P G > S+ 0 0 18 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.882 105.2 63.2 -59.1 -43.1 37.8 7.2 84.9 90 91 A A G > S+ 0 0 68 1,-0.3 3,-0.5 2,-0.1 4,-0.2 0.792 101.8 57.4 -47.7 -29.7 37.9 8.4 88.7 91 92 A D G <> S+ 0 0 21 -3,-1.0 4,-1.9 1,-0.2 3,-0.3 0.317 72.5 98.3 -87.4 5.9 34.0 9.0 88.2 92 93 A A H <> S+ 0 0 2 -3,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.845 80.6 56.9 -56.9 -35.6 33.2 5.4 87.1 93 94 A A H <> S+ 0 0 37 -3,-0.5 4,-1.6 -4,-0.3 -1,-0.2 0.856 107.2 44.4 -62.9 -44.7 32.0 4.7 90.7 94 95 A L H > S+ 0 0 54 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.854 111.4 53.1 -73.2 -38.1 29.5 7.5 90.9 95 96 A A H <>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 4,-0.2 0.942 111.7 48.0 -62.0 -45.3 28.1 6.7 87.4 96 97 A A H <5S+ 0 0 4 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.817 111.1 49.0 -64.4 -37.2 27.7 3.0 88.6 97 98 A Q H <5S+ 0 0 118 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.932 115.9 43.6 -70.3 -41.9 26.0 4.0 91.8 98 99 A Q T <5S- 0 0 68 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.271 111.9-118.5 -86.7 7.6 23.6 6.4 89.9 99 100 A R T 5 + 0 0 124 -3,-0.5 -18,-0.8 -4,-0.2 2,-0.5 0.789 59.8 150.4 58.5 39.8 22.9 3.8 87.1 100 101 A I E < -j 81 0B 2 -5,-2.3 24,-0.3 -6,-0.2 -1,-0.2 -0.858 39.8-137.9-100.4 121.7 24.2 5.9 84.3 101 102 A A E -j 82 0B 8 -20,-4.1 -18,-2.0 -2,-0.5 2,-0.3 -0.548 21.3-142.3 -80.4 152.7 25.7 4.0 81.4 102 103 A L E -jk 83 125B 1 22,-2.8 24,-2.2 -20,-0.2 2,-0.4 -0.868 8.5-125.0-120.0 151.5 29.0 5.4 79.9 103 104 A T E - k 0 126B 2 -20,-0.8 2,-0.4 -18,-0.6 -16,-0.2 -0.730 28.8-171.4 -89.6 137.3 30.5 5.7 76.5 104 105 A V E + k 0 127B 2 22,-2.0 24,-2.5 -2,-0.4 34,-0.2 -0.992 23.8 154.3-131.5 139.5 34.0 4.1 76.1 105 106 A F + 0 0 13 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.282 60.7 57.8-145.6 -1.3 36.3 4.4 73.1 106 107 A R > - 0 0 41 1,-0.1 4,-0.9 32,-0.1 3,-0.4 -0.999 60.0-146.2-141.9 142.6 39.8 3.8 74.5 107 108 A S H > S+ 0 0 10 -2,-0.4 4,-2.1 1,-0.2 3,-0.3 0.853 98.0 64.2 -70.2 -36.8 41.5 1.0 76.4 108 109 A D H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.786 99.7 55.1 -60.7 -23.3 43.8 3.3 78.4 109 110 A W H > S+ 0 0 28 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.903 111.2 43.8 -71.7 -44.3 40.6 4.7 80.0 110 111 A L H X S+ 0 0 0 -4,-0.9 4,-1.6 -3,-0.3 -2,-0.2 0.772 109.1 56.1 -73.0 -27.8 39.6 1.2 81.1 111 112 A E H X S+ 0 0 120 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.951 112.4 44.6 -64.4 -49.0 43.1 0.3 82.2 112 113 A E H < S+ 0 0 111 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.787 113.1 49.6 -66.2 -29.4 42.8 3.3 84.5 113 114 A A H >X S+ 0 0 0 -4,-1.5 4,-0.9 2,-0.2 3,-0.6 0.726 100.0 61.8 -84.8 -25.5 39.3 2.6 85.7 114 115 A S H 3< S+ 0 0 34 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.793 103.8 54.3 -65.9 -30.8 39.8 -1.1 86.6 115 116 A A T 3< S+ 0 0 85 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.606 111.8 40.8 -76.4 -21.4 42.3 0.1 89.1 116 117 A L T <4 S+ 0 0 107 -3,-0.6 2,-0.4 -4,-0.2 -2,-0.2 0.454 111.6 57.8-109.7 -6.7 40.0 2.6 90.9 117 118 A Y < + 0 0 18 -4,-0.9 -1,-0.1 -25,-0.0 39,-0.1 -0.984 39.1 159.6-134.0 140.8 36.8 0.5 91.0 118 119 A S - 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0 0 26 -35,-1.5 37,-1.8 -2,-1.0 2,-0.3 0.789 57.3 -14.1 -85.8 -32.5 17.0 59.5 94.7 544 162 B G E -fg 509 580H 0 -36,-1.7 -34,-2.5 35,-0.2 2,-0.3 -0.932 48.0-144.3-159.1-178.2 18.6 60.1 91.4 545 163 B L E +fg 510 581H 0 35,-2.0 37,-2.0 -2,-0.3 2,-0.3 -0.977 23.1 166.8-156.2 151.3 18.5 60.7 87.8 546 164 B Y E -fg 511 582H 0 -36,-2.3 -34,-3.4 -2,-0.3 2,-0.3 -0.980 22.2-150.6-160.2 168.7 20.6 59.8 84.9 547 165 B T - 0 0 2 35,-1.2 2,-0.4 -2,-0.3 -34,-0.1 -0.848 18.9-133.9-138.3 170.0 21.3 59.4 81.2 548 166 B H - 0 0 1 -36,-0.4 2,-0.4 -2,-0.3 -34,-0.3 -0.999 17.5-129.5-136.1 131.1 23.3 57.0 79.1 549 167 B F - 0 0 0 34,-0.6 3,-0.4 -2,-0.4 4,-0.1 -0.682 8.7-162.0 -88.5 129.1 25.7 57.9 76.3 550 168 B A S S+ 0 0 0 -2,-0.4 -285,-1.8 1,-0.2 3,-0.2 0.817 90.6 26.5 -71.8 -35.2 25.4 56.1 72.9 551 169 B T S > S+ 0 0 2 -287,-0.2 3,-0.9 1,-0.1 9,-0.2 -0.062 73.3 123.9-127.0 34.8 28.9 57.0 71.6 552 170 B A T 3 S+ 0 0 0 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.701 78.5 55.7 -68.7 -19.6 31.1 57.5 74.7 553 171 B D T 3 S+ 0 0 29 -3,-0.2 2,-0.4 58,-0.1 -1,-0.2 0.624 88.2 102.4 -84.2 -16.5 33.6 54.9 73.3 554 172 B E < - 0 0 66 -3,-0.9 6,-0.1 2,-0.2 -3,-0.1 -0.602 70.0-142.1 -78.4 123.7 34.0 56.8 70.0 555 173 B V S S+ 0 0 99 -2,-0.4 2,-0.8 2,-0.1 -1,-0.1 0.837 92.8 76.3 -43.6 -49.9 37.1 58.9 69.4 556 174 B N - 0 0 96 1,-0.1 3,-0.4 4,-0.0 4,-0.3 -0.670 68.8-170.0 -71.4 105.1 34.8 61.5 67.7 557 175 B T > + 0 0 43 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.119 52.6 107.7 -87.6 18.7 33.1 63.2 70.7 558 176 B D H > S+ 0 0 113 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.822 82.9 37.5 -75.7 -30.7 30.6 65.1 68.7 559 177 B Y H > S+ 0 0 43 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.801 115.5 59.0 -85.0 -30.1 27.4 63.2 69.6 560 178 B F H > S+ 0 0 13 -4,-0.3 4,-2.7 -9,-0.2 -2,-0.2 0.944 105.4 46.8 -59.9 -51.8 28.8 62.9 73.1 561 179 B S H X S+ 0 0 60 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.766 110.5 53.9 -66.9 -20.6 29.0 66.7 73.6 562 180 B Y H X S+ 0 0 101 -4,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.857 112.4 44.4 -75.3 -37.7 25.4 67.0 72.2 563 181 B Q H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 111.6 51.9 -71.1 -44.5 24.2 64.5 74.7 564 182 B Y H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.902 113.7 45.0 -59.0 -42.0 26.2 66.1 77.6 565 183 B T H X S+ 0 0 91 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.921 110.9 52.2 -69.3 -44.4 24.7 69.5 76.7 566 184 B R H X S+ 0 0 69 -4,-2.1 4,-2.3 1,-0.2 3,-0.2 0.898 111.2 49.7 -58.0 -42.5 21.1 68.1 76.4 567 185 B F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.972 106.4 53.1 -62.3 -55.2 21.5 66.5 79.8 568 186 B L H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.735 113.4 46.3 -50.3 -28.9 22.7 69.7 81.6 569 187 B H H >< S+ 0 0 113 -4,-1.2 3,-1.4 -3,-0.2 -1,-0.3 0.841 108.8 51.8 -83.8 -42.4 19.7 71.4 80.2 570 188 B M H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.798 96.2 70.7 -67.8 -26.2 17.2 68.7 81.1 571 189 B L G >< S+ 0 0 10 -4,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.656 89.2 65.5 -61.1 -18.5 18.5 68.8 84.7 572 190 B E G < S+ 0 0 158 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.451 83.5 71.1 -86.0 -3.9 16.8 72.2 85.0 573 191 B W G < S+ 0 0 32 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.491 86.9 82.2 -88.2 -5.4 13.3 70.8 84.6 574 192 B L S < S- 0 0 12 -3,-0.6 3,-0.1 -4,-0.2 -46,-0.1 -0.822 77.3-143.2 -98.3 136.3 13.8 69.4 88.1 575 193 B P S S+ 0 0 102 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.934 88.0 19.6 -61.1 -51.3 13.1 71.8 91.1 576 194 B S S S- 0 0 73 -3,-0.1 -3,-0.0 0, 0.0 -4,-0.0 -0.982 85.9-117.0-126.9 134.0 15.9 70.4 93.2 577 195 B R - 0 0 148 -2,-0.4 4,-0.1 -3,-0.1 -5,-0.0 -0.638 40.0-127.4 -71.9 118.4 18.8 68.4 91.9 578 196 B P - 0 0 14 0, 0.0 -35,-0.1 0, 0.0 -33,-0.1 -0.088 24.3 -97.6 -65.7 166.7 18.5 64.9 93.6 579 197 B P S S+ 0 0 92 0, 0.0 2,-0.5 0, 0.0 -35,-0.2 0.665 107.3 44.6 -60.3 -24.3 21.3 63.2 95.6 580 198 B L E +g 544 0H 11 -37,-1.8 -35,-2.0 2,-0.0 2,-0.5 -0.959 60.5 173.5-129.3 111.5 22.7 61.0 92.9 581 199 B V E +g 545 0H 0 -2,-0.5 17,-1.5 -37,-0.2 18,-0.7 -0.986 14.1 168.5-118.5 121.2 23.2 62.3 89.4 582 200 B H E +gh 546 599H 0 -37,-2.0 -35,-1.2 -2,-0.5 18,-0.1 -0.984 21.9 152.5-136.9 145.8 25.0 59.9 87.0 583 201 B C + 0 0 0 16,-0.6 -34,-0.6 13,-0.4 2,-0.3 0.560 46.5 100.5-138.2 -31.0 25.6 59.8 83.3 584 202 B A - 0 0 0 15,-0.4 17,-2.5 12,-0.3 2,-0.1 -0.494 41.5-169.3 -81.1 131.2 28.8 57.8 82.6 585 203 B N > - 0 0 3 -2,-0.3 4,-1.4 15,-0.1 5,-0.2 -0.168 57.9 -76.8 -92.1-170.3 29.4 54.2 81.6 586 204 B S H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.856 132.0 52.1 -55.3 -55.8 32.9 52.8 81.8 587 205 B A H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.940 114.9 41.0 -44.0 -54.5 34.2 54.6 78.6 588 206 B A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 7,-0.2 0.706 115.3 53.0 -72.3 -20.9 33.0 58.4 79.8 589 207 B S H < S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.787 115.1 37.9 -83.7 -28.4 34.1 57.7 83.4 590 208 B L H < S+ 0 0 6 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.580 124.3 42.4 -93.5 -15.9 37.7 56.7 82.3 591 209 B R H < S+ 0 0 48 -4,-0.9 -3,-0.2 -5,-0.1 -2,-0.2 0.856 133.2 14.9 -93.9 -43.3 37.8 59.4 79.6 592 210 B F >< + 0 0 49 -4,-1.8 3,-1.3 -5,-0.1 -2,-0.1 -0.452 68.5 167.7-132.2 61.2 36.2 62.4 81.4 593 211 B P T 3 S+ 0 0 28 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.559 78.0 52.0 -53.5 -15.8 36.1 61.6 85.2 594 212 B D T > S+ 0 0 123 1,-0.2 3,-0.7 2,-0.1 2,-0.5 0.751 102.2 59.0 -91.1 -31.0 35.3 65.1 86.3 595 213 B R T < S+ 0 0 153 -3,-1.3 -1,-0.2 1,-0.2 -3,-0.1 -0.263 85.0 84.0 -98.5 49.9 32.3 65.4 83.9 596 214 B T T > S- 0 0 1 -2,-0.5 3,-1.1 -3,-0.3 -13,-0.4 0.205 82.0-146.0-128.9 1.8 30.6 62.4 85.5 597 215 B F T < - 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