==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-AUG-10 3OO2 . COMPND 2 MOLECULE: ALANINE RACEMASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR A.S.HALAVATY,L.SHUVALOVA,G.MINASOV,J.WINSOR,I.DUBROVSKA,K.KW . 743 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 6 0.8 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 . 1 0.1 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 . 71 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 5 5 1 3 1 1 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 6 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 . 1 3 1 5 7 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 . 0 0 2 0 1 1 0 1 1 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 0 111 0, 0.0 374,-0.2 0, 0.0 372,-0.0 0.000 360.0 360.0 360.0 106.1 -13.0 79.2 -2.3 2 3 A D - 0 0 48 372,-3.0 2,-0.2 1,-0.1 372,-0.1 -0.196 360.0-117.9 -70.9 158.4 -11.7 78.8 1.2 3 4 A K - 0 0 121 373,-0.1 2,-0.3 376,-0.1 376,-0.2 -0.564 25.6-159.9 -88.2 156.0 -9.7 81.3 3.3 4 5 A Y - 0 0 79 -2,-0.2 3,-0.0 359,-0.0 5,-0.0 -0.995 13.5-168.5-138.8 142.8 -6.1 80.5 4.4 5 6 A Y + 0 0 20 -2,-0.3 442,-0.5 1,-0.1 2,-0.3 -0.133 67.0 63.9-125.4 39.6 -4.1 82.2 7.2 6 7 A R S S- 0 0 19 2,-0.1 2,-2.5 440,-0.1 -1,-0.1 -0.876 79.1-125.3-158.0 126.4 -0.5 81.0 6.8 7 8 A S S S+ 0 0 16 -2,-0.3 242,-2.9 242,-0.1 2,-0.3 -0.424 77.8 101.0 -80.6 72.6 1.6 81.7 3.8 8 9 A A E +A 248 0A 0 -2,-2.5 2,-0.3 240,-0.3 240,-0.2 -0.907 46.8 132.6-153.0 119.7 2.5 78.1 3.0 9 10 A Y E -A 247 0A 30 238,-2.4 238,-3.1 -2,-0.3 2,-0.4 -0.981 50.9-107.6-165.0 166.6 0.6 76.5 0.1 10 11 A M E -Ab 246 364A 0 353,-2.5 355,-3.1 -2,-0.3 2,-0.5 -0.905 23.6-145.3-105.1 134.6 0.7 74.5 -3.0 11 12 A N E -Ab 245 365A 20 234,-2.6 234,-2.0 -2,-0.4 2,-0.5 -0.889 16.1-164.5 -94.8 129.3 0.0 76.2 -6.4 12 13 A V E -Ab 244 366A 0 353,-3.1 355,-2.6 -2,-0.5 2,-1.0 -0.983 8.7-149.7-117.8 116.4 -1.8 73.7 -8.7 13 14 A D E > - b 0 367A 47 230,-2.9 4,-1.6 -2,-0.5 3,-0.3 -0.749 13.2-176.0 -88.2 101.8 -1.9 74.6 -12.3 14 15 A L H > S+ 0 0 0 353,-2.2 4,-2.0 -2,-1.0 354,-0.2 0.703 81.9 59.2 -70.6 -21.4 -5.1 73.3 -13.8 15 16 A N H > S+ 0 0 58 352,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.870 104.5 51.4 -74.3 -34.2 -4.2 74.4 -17.4 16 17 A A H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 225,-0.3 0.927 109.6 49.6 -66.1 -41.8 -1.1 72.2 -17.2 17 18 A V H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.896 110.5 49.8 -66.0 -37.0 -3.2 69.3 -16.1 18 19 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.854 110.3 51.2 -69.1 -32.7 -5.6 69.9 -19.0 19 20 A S H X S+ 0 0 24 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 109.1 50.0 -68.3 -44.0 -2.7 70.0 -21.4 20 21 A N H X S+ 0 0 1 -4,-2.5 4,-1.6 203,-0.3 -2,-0.2 0.892 108.8 53.0 -60.3 -38.6 -1.3 66.8 -20.1 21 22 A F H X S+ 0 0 11 -4,-1.9 4,-2.0 202,-0.3 -1,-0.2 0.877 108.9 48.9 -65.2 -37.6 -4.7 65.2 -20.5 22 23 A K H X S+ 0 0 103 -4,-1.6 4,-4.3 2,-0.2 5,-0.4 0.907 103.4 60.1 -68.2 -43.4 -4.9 66.3 -24.2 23 24 A V H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.916 111.1 42.5 -49.1 -42.7 -1.4 64.9 -24.8 24 25 A F H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.864 113.4 50.3 -73.6 -36.4 -2.9 61.6 -23.8 25 26 A S H < S+ 0 0 43 -4,-2.0 6,-0.2 2,-0.2 -2,-0.2 0.950 114.3 46.2 -63.0 -47.2 -6.1 62.1 -25.8 26 27 A T H < S+ 0 0 106 -4,-4.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.5 51.9 -64.0 -42.3 -4.0 63.0 -28.8 27 28 A L H < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.858 124.8 27.9 -63.8 -35.3 -1.7 60.0 -28.3 28 29 A H S >< S+ 0 0 7 -4,-1.8 3,-1.1 -5,-0.1 -1,-0.3 -0.649 71.0 163.8-127.8 77.3 -4.6 57.7 -28.1 29 30 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.669 74.7 52.7 -70.5 -17.6 -7.5 59.2 -30.1 30 31 A N T 3 S+ 0 0 145 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.454 100.4 81.1 -97.6 2.0 -9.5 56.0 -30.4 31 32 A K S < S- 0 0 32 -3,-1.1 2,-0.5 -6,-0.2 185,-0.2 -0.698 80.2-114.1-112.2 158.7 -9.5 55.3 -26.7 32 33 A T E -j 216 0B 39 183,-1.9 185,-2.0 -2,-0.2 2,-0.9 -0.747 31.6-135.7 -82.9 124.5 -11.4 56.4 -23.6 33 34 A V E -j 217 0B 9 -2,-0.5 2,-1.3 183,-0.2 27,-0.5 -0.758 13.8-160.0 -88.3 106.5 -9.0 58.3 -21.3 34 35 A M E -k 60 0B 0 183,-3.2 27,-0.2 -2,-0.9 2,-0.2 -0.726 15.3-144.5 -90.1 95.5 -9.7 57.0 -17.8 35 36 A A E -k 61 0B 0 25,-2.0 27,-2.2 -2,-1.3 2,-0.7 -0.395 7.2-140.4 -62.4 124.0 -8.2 59.8 -15.7 36 37 A V E +k 62 0B 6 183,-1.8 27,-0.2 25,-0.2 187,-0.1 -0.816 34.5 159.8 -95.5 113.5 -6.6 58.4 -12.5 37 38 A V > + 0 0 0 25,-2.4 4,-1.7 -2,-0.7 3,-0.4 -0.032 23.3 140.8-120.5 25.5 -7.4 60.7 -9.6 38 39 A K H > + 0 0 33 24,-0.4 4,-2.0 1,-0.2 3,-0.4 -0.158 60.7 34.1 -64.0 163.9 -6.8 58.2 -6.8 39 40 A A H > S- 0 0 10 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.850 144.0 -56.2 53.9 38.7 -5.0 59.5 -3.6 40 41 A N H 4>S- 0 0 19 -3,-0.4 5,-3.0 1,-0.2 3,-0.4 0.918 104.5 -52.6 64.5 40.5 -6.7 62.8 -4.0 41 42 A A H ><5S- 0 0 0 -4,-1.7 3,-1.9 -3,-0.4 -2,-0.2 0.945 105.5 -54.7 54.7 55.0 -5.2 63.1 -7.5 42 43 A Y H 3<5S- 0 0 10 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.756 109.9 -46.3 55.1 30.6 -1.7 62.5 -6.2 43 44 A G T 3<5S+ 0 0 6 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.117 123.2 95.7 103.7 -21.2 -1.9 65.3 -3.7 44 45 A L T < 5S- 0 0 0 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.709 100.8 -83.9 -74.3 -25.7 -3.4 68.0 -5.9 45 46 A G >< - 0 0 5 -5,-3.0 4,-2.1 -6,-0.2 5,-0.3 0.472 26.8-141.3 117.1 103.1 -7.1 67.5 -5.0 46 47 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.878 97.6 49.3 -51.8 -49.6 -9.4 64.9 -6.6 47 48 A V H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.976 113.4 41.0 -63.2 -57.2 -12.5 67.1 -6.7 48 49 A K H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 118.5 46.8 -62.3 -38.7 -11.1 70.2 -8.3 49 50 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.919 114.1 48.6 -70.6 -38.5 -9.0 68.3 -10.8 50 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.907 111.4 48.4 -65.9 -43.4 -11.9 66.0 -11.7 51 52 A R H X S+ 0 0 83 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.961 114.7 47.9 -58.0 -48.8 -14.3 68.9 -12.2 52 53 A H H X S+ 0 0 12 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.881 110.4 48.9 -59.2 -47.8 -11.7 70.6 -14.3 53 54 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-0.7 0.860 108.0 55.7 -63.3 -34.7 -11.0 67.6 -16.4 54 55 A M H ><5S+ 0 0 55 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.906 102.3 55.7 -63.4 -39.7 -14.7 67.0 -17.0 55 56 A E H 3<5S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.729 109.3 50.4 -62.7 -20.5 -15.0 70.6 -18.4 56 57 A N T <<5S- 0 0 59 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 -0.012 132.6 -86.8-105.9 25.5 -12.2 69.4 -20.8 57 58 A G T < 5S+ 0 0 52 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.479 72.3 149.5 89.7 3.5 -13.9 66.2 -22.0 58 59 A A < + 0 0 5 -5,-2.4 -1,-0.3 1,-0.1 3,-0.1 -0.545 14.2 173.7 -72.1 133.6 -12.9 63.6 -19.4 59 60 A T + 0 0 86 -26,-0.4 21,-1.6 -2,-0.3 2,-0.3 0.344 59.0 44.2-120.9 5.2 -15.7 61.0 -19.1 60 61 A F E -kl 34 80B 1 -27,-0.5 -25,-2.0 19,-0.2 2,-0.3 -0.949 57.5-173.4-157.1 129.6 -14.2 58.4 -16.9 61 62 A F E -kl 35 81B 0 19,-2.4 21,-2.7 -2,-0.3 2,-0.4 -0.851 11.0-150.5-120.6 156.9 -12.1 58.4 -13.7 62 63 A A E +kl 36 82B 0 -27,-2.2 -25,-2.4 -2,-0.3 -24,-0.4 -0.987 18.7 175.0-125.5 136.0 -10.3 55.8 -11.6 63 64 A V E - l 0 83B 0 19,-2.6 21,-3.3 -2,-0.4 22,-0.2 -0.780 34.3-126.5-129.4 176.0 -9.8 56.0 -7.9 64 65 A A S S+ 0 0 9 -2,-0.3 21,-0.9 19,-0.2 2,-0.3 0.775 86.1 30.9 -93.8 -34.5 -8.4 53.6 -5.2 65 66 A T S > S- 0 0 6 19,-0.1 4,-1.6 1,-0.1 -1,-0.2 -0.914 70.9-123.0-131.0 153.2 -11.3 53.5 -2.8 66 67 A L H > S+ 0 0 1 320,-0.5 4,-3.0 -2,-0.3 5,-0.3 0.858 114.7 61.5 -58.6 -33.7 -15.0 53.8 -2.7 67 68 A D H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 103.7 49.4 -59.6 -42.3 -14.5 56.7 -0.2 68 69 A E H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.867 112.4 48.6 -63.2 -34.6 -12.7 58.5 -3.0 69 70 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 3,-0.2 0.934 110.2 47.7 -70.8 -49.5 -15.6 57.7 -5.4 70 71 A I H X S+ 0 0 2 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.878 107.6 59.7 -61.3 -36.1 -18.3 58.9 -3.1 71 72 A E H < S+ 0 0 3 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.896 107.2 44.5 -57.3 -44.7 -16.3 62.1 -2.5 72 73 A L H ><>S+ 0 0 0 -4,-1.3 5,-2.4 -3,-0.2 3,-0.9 0.905 114.3 50.9 -67.4 -38.8 -16.3 62.9 -6.2 73 74 A R H ><5S+ 0 0 35 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.883 105.3 54.7 -65.9 -38.5 -20.0 62.1 -6.2 74 75 A M T 3<5S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.591 109.6 50.8 -70.4 -10.1 -20.8 64.3 -3.2 75 76 A H T < 5S- 0 0 60 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 -0.094 126.5 -89.8-120.0 31.2 -19.2 67.2 -5.1 76 77 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.498 73.4 144.1 83.3 3.5 -21.0 67.0 -8.5 77 78 A I < + 0 0 2 -5,-2.4 -1,-0.2 1,-0.1 -2,-0.1 -0.716 14.3 168.9 -78.2 121.6 -18.8 64.6 -10.5 78 79 A T + 0 0 99 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.391 36.9 110.3-112.9 -4.0 -21.2 62.6 -12.7 79 80 A A S S- 0 0 12 1,-0.1 -19,-0.2 -21,-0.1 -20,-0.1 -0.139 85.4 -75.8 -62.7 171.1 -18.7 60.9 -15.0 80 81 A K E -l 60 0B 50 -21,-1.6 -19,-2.4 20,-0.1 2,-0.4 -0.417 50.2-159.2 -66.8 146.1 -18.2 57.2 -14.7 81 82 A I E -lm 61 100B 2 18,-0.5 20,-2.5 -21,-0.2 2,-0.5 -0.975 7.3-164.2-134.0 126.9 -16.0 56.2 -11.8 82 83 A L E -lm 62 101B 0 -21,-2.7 -19,-2.6 -2,-0.4 2,-0.6 -0.907 13.2-144.2-108.7 124.7 -14.1 53.0 -11.3 83 84 A V E -lm 63 102B 2 18,-1.9 20,-0.7 -2,-0.5 -19,-0.2 -0.780 8.5-163.8 -85.5 119.8 -12.7 51.9 -8.0 84 85 A L + 0 0 29 -21,-3.3 -20,-0.2 -2,-0.6 -1,-0.1 0.623 64.9 69.6 -78.5 -17.1 -9.3 50.1 -8.5 85 86 A G S S- 0 0 16 -21,-0.9 18,-0.7 -22,-0.2 2,-0.6 -0.262 94.8 -88.2 -93.3-174.3 -9.1 48.5 -5.0 86 87 A V - 0 0 23 16,-0.1 18,-0.1 -2,-0.1 -2,-0.1 -0.860 39.6-141.0-100.3 118.3 -11.1 45.7 -3.5 87 88 A L - 0 0 5 -2,-0.6 2,-0.2 16,-0.4 300,-0.1 -0.557 26.2-105.3 -79.2 138.2 -14.3 46.9 -1.7 88 89 A P > - 0 0 24 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.496 32.3-121.8 -59.4 133.8 -15.3 45.2 1.6 89 90 A A G > S+ 0 0 11 1,-0.3 3,-1.6 -2,-0.2 27,-0.1 0.820 107.7 66.0 -47.3 -39.0 -18.2 42.9 0.7 90 91 A K G 3 S+ 0 0 141 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.727 96.7 55.9 -54.1 -30.9 -20.4 44.8 3.3 91 92 A D G X> + 0 0 15 -3,-2.2 4,-1.1 1,-0.2 3,-0.8 0.289 68.3 109.8 -92.7 8.8 -20.3 48.0 1.3 92 93 A I H <> S+ 0 0 0 -3,-1.6 4,-1.9 1,-0.2 3,-0.5 0.844 74.6 58.2 -55.1 -38.4 -21.6 46.7 -2.1 93 94 A D H 3> S+ 0 0 30 -3,-0.4 4,-2.9 23,-0.3 -1,-0.2 0.845 102.4 54.7 -61.1 -37.4 -25.0 48.6 -1.7 94 95 A K H <> S+ 0 0 63 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.790 106.4 50.7 -67.4 -29.8 -23.2 51.9 -1.4 95 96 A A H <>S+ 0 0 0 -4,-1.1 5,-2.5 -3,-0.5 4,-0.3 0.925 113.1 46.2 -71.6 -42.3 -21.3 51.3 -4.7 96 97 A I H ><5S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.952 112.6 49.7 -62.6 -52.4 -24.6 50.5 -6.4 97 98 A Q H 3<5S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.907 114.5 44.8 -49.0 -51.2 -26.4 53.5 -4.8 98 99 A H T 3<5S- 0 0 40 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.269 110.6-117.0 -84.0 10.9 -23.6 55.9 -5.9 99 100 A R T < 5 + 0 0 99 -3,-1.5 -18,-0.5 -4,-0.3 2,-0.5 0.879 60.4 154.9 57.6 43.5 -23.2 54.6 -9.5 100 101 A V E < -m 81 0B 2 -5,-2.5 26,-0.2 -6,-0.1 -1,-0.2 -0.880 38.5-137.3-109.4 125.2 -19.6 53.4 -8.9 101 102 A A E -m 82 0B 2 -20,-2.5 -18,-1.9 -2,-0.5 2,-0.3 -0.424 23.9-147.4 -74.7 158.7 -18.0 50.6 -10.9 102 103 A L E -mn 83 127B 1 24,-2.3 26,-2.9 -20,-0.2 2,-0.4 -0.933 11.2-118.6-133.5 151.7 -16.0 48.1 -9.0 103 104 A T E - n 0 128B 0 -18,-0.7 -16,-0.4 -20,-0.7 26,-0.2 -0.690 17.6-151.7 -86.4 134.3 -12.9 45.9 -9.4 104 105 A V E + n 0 129B 0 24,-2.1 26,-2.3 -2,-0.4 36,-0.3 -0.934 19.4 173.2-104.7 105.4 -13.4 42.2 -9.2 105 106 A P + 0 0 1 0, 0.0 34,-0.4 0, 0.0 2,-0.3 0.782 64.1 1.8 -85.7 -23.9 -10.1 40.8 -8.0 106 107 A S > - 0 0 9 1,-0.1 4,-1.7 32,-0.1 5,-0.1 -0.957 66.7-110.6-153.3 167.2 -11.2 37.2 -7.5 107 108 A K H > S+ 0 0 53 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.919 117.0 57.2 -67.8 -42.4 -14.2 34.8 -7.8 108 109 A Q H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 105.6 50.8 -54.2 -44.3 -14.4 34.6 -4.0 109 110 A W H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 110.3 48.0 -61.3 -52.4 -14.8 38.4 -3.8 110 111 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.936 111.5 50.9 -54.5 -46.8 -17.6 38.4 -6.3 111 112 A K H X S+ 0 0 108 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.914 113.9 43.8 -61.0 -39.0 -19.4 35.5 -4.5 112 113 A E H X S+ 0 0 116 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.865 110.5 56.0 -74.3 -32.5 -19.2 37.3 -1.2 113 114 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 -5,-0.2 4,-0.3 0.911 104.9 52.4 -66.0 -41.8 -20.3 40.6 -2.8 114 115 A I H >< S+ 0 0 24 -4,-2.3 3,-2.3 1,-0.2 -1,-0.2 0.939 103.5 57.4 -58.9 -46.1 -23.4 39.1 -4.2 115 116 A K H 3< S+ 0 0 178 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.697 105.3 51.6 -59.0 -23.3 -24.4 37.7 -0.8 116 117 A N T << S+ 0 0 59 -3,-0.9 2,-1.2 -4,-0.8 -23,-0.3 0.415 80.7 108.3 -94.5 -1.5 -24.3 41.3 0.7 117 118 A I < - 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