==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-MAY-11 3S46 . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR H.IM,M.L.SHARPE,U.STRYCH,M.DAVLIEVA,K.L.KRAUSE . 734 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 10.6 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 . 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 . 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 5 1 4 3 1 0 0 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 9 4 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 0 PARALLEL BRIDGES PER LADDER . 4 2 2 6 4 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 2 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 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 17 0, 0.0 2,-0.4 0, 0.0 359,-0.1 0.000 360.0 360.0 360.0 141.3 19.4 61.3 -1.8 2 2 A K - 0 0 112 1,-0.1 407,-0.1 359,-0.1 408,-0.1 -0.797 360.0 -96.4-100.8 139.4 21.4 58.6 -0.3 3 3 A A - 0 0 49 -2,-0.4 358,-0.2 359,-0.1 359,-0.2 -0.215 32.5-152.3 -48.4 132.2 22.3 55.4 -2.1 4 4 A S > + 0 0 0 357,-2.5 3,-1.5 5,-0.2 5,-0.2 -0.723 23.9 167.5-111.8 83.3 19.9 52.6 -1.3 5 5 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.673 73.1 65.7 -70.6 -16.9 21.8 49.3 -1.8 6 6 A H T 3 S+ 0 0 70 2,-0.0 451,-0.5 454,-0.0 429,-0.1 0.348 90.5 76.4 -87.6 9.4 19.0 47.3 -0.0 7 7 A R S < S- 0 0 21 -3,-1.5 449,-0.1 2,-0.2 -3,-0.0 -0.898 87.7-125.9-112.0 146.3 16.6 48.1 -2.9 8 8 A P S S+ 0 0 29 0, 0.0 2,-0.4 0, 0.0 241,-0.0 0.441 77.1 107.3 -80.4 11.3 17.1 46.2 -6.2 9 9 A T + 0 0 1 -5,-0.2 2,-0.3 270,-0.2 238,-0.2 -0.723 46.1 154.0 -86.1 127.5 17.3 49.4 -8.4 10 10 A K E -A 246 0A 49 236,-2.7 236,-2.8 -2,-0.4 2,-0.5 -0.991 42.3-130.9-152.2 154.7 20.9 50.0 -9.6 11 11 A A E -Ab 245 364A 0 352,-2.5 354,-2.6 -2,-0.3 2,-0.5 -0.966 22.2-152.0-110.3 122.8 23.0 51.6 -12.3 12 12 A L E -Ab 244 365A 18 232,-2.1 232,-2.5 -2,-0.5 2,-0.6 -0.833 8.4-163.3 -96.4 126.8 25.7 49.3 -13.9 13 13 A I E -Ab 243 366A 0 352,-2.8 354,-2.8 -2,-0.5 2,-1.1 -0.966 7.7-152.2-115.6 114.4 28.6 51.2 -15.2 14 14 A H >> - 0 0 75 228,-2.7 4,-1.5 -2,-0.6 3,-0.5 -0.765 10.6-174.4 -91.9 100.0 30.9 49.3 -17.6 15 15 A L H 3> S+ 0 0 24 352,-2.7 4,-2.6 -2,-1.1 -1,-0.2 0.842 83.5 61.0 -63.7 -34.9 34.3 50.9 -17.2 16 16 A G H 3> S+ 0 0 23 351,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.854 101.2 54.9 -56.8 -38.1 35.7 48.6 -20.0 17 17 A A H <> S+ 0 0 6 -3,-0.5 4,-2.4 2,-0.2 223,-0.3 0.957 108.5 47.8 -59.5 -48.3 33.1 50.3 -22.4 18 18 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.935 112.1 49.8 -58.1 -49.3 34.5 53.8 -21.3 19 19 A R H X S+ 0 0 96 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.893 111.5 48.1 -53.8 -47.2 38.1 52.5 -21.9 20 20 A Q H X S+ 0 0 104 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.878 109.6 53.1 -63.1 -37.7 37.1 51.1 -25.4 21 21 A N H X S+ 0 0 1 -4,-2.4 4,-2.4 202,-0.3 -2,-0.2 0.882 110.2 47.0 -66.9 -40.1 35.4 54.4 -26.3 22 22 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 201,-0.2 -1,-0.2 0.920 113.9 48.1 -64.7 -44.7 38.5 56.5 -25.4 23 23 A Q H X S+ 0 0 142 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.920 110.0 52.8 -60.5 -44.5 40.7 54.1 -27.4 24 24 A Q H X S+ 0 0 61 -4,-2.8 4,-0.8 2,-0.2 3,-0.3 0.939 111.2 46.0 -59.4 -46.2 38.2 54.2 -30.3 25 25 A M H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.909 109.4 55.2 -60.9 -43.8 38.4 58.1 -30.3 26 26 A G H >< S+ 0 0 22 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.811 104.9 54.6 -55.7 -31.9 42.2 57.9 -30.0 27 27 A A H 3< S+ 0 0 73 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.714 109.1 47.2 -78.4 -18.1 42.3 55.7 -33.2 28 28 A H T << S+ 0 0 82 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.185 105.8 62.6-113.4 15.6 40.3 58.3 -35.2 29 29 A I S < S- 0 0 13 -3,-0.8 182,-0.1 -4,-0.1 181,-0.0 -0.900 102.6 -70.2-130.4 161.9 42.3 61.5 -34.3 30 30 A P > - 0 0 79 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.209 46.9-119.0 -54.0 142.1 46.0 62.4 -34.9 31 31 A Q T 3 S+ 0 0 206 1,-0.3 -3,-0.0 -4,-0.1 -5,-0.0 0.729 110.5 54.6 -55.3 -28.1 48.4 60.3 -32.8 32 32 A G T 3 S+ 0 0 70 2,-0.1 -1,-0.3 184,-0.0 2,-0.1 0.554 79.8 119.4 -83.4 -10.9 49.8 63.3 -31.0 33 33 A T < - 0 0 15 -3,-1.9 183,-0.2 -7,-0.1 2,-0.2 -0.377 61.6-130.0 -63.7 129.9 46.4 64.7 -29.8 34 34 A L E -f 216 0B 64 181,-2.4 183,-2.5 -2,-0.1 2,-0.5 -0.531 18.0-144.1 -74.0 142.8 45.9 65.1 -26.0 35 35 A K E -f 217 0B 37 181,-0.2 25,-3.4 -2,-0.2 26,-0.7 -0.949 11.5-166.7-118.2 121.9 42.7 63.6 -24.7 36 36 A L E -fg 218 61B 14 181,-2.7 183,-2.8 -2,-0.5 2,-0.5 -0.939 16.2-139.4-110.3 124.1 40.9 65.3 -21.8 37 37 A A E -fg 219 62B 0 24,-2.7 26,-2.4 -2,-0.5 2,-0.8 -0.706 11.1-144.8 -85.4 120.8 38.2 63.3 -20.0 38 38 A V E + g 0 63B 0 181,-2.9 26,-0.2 -2,-0.5 185,-0.1 -0.815 31.0 162.3 -88.0 110.3 35.1 65.5 -19.2 39 39 A V > + 0 0 1 24,-2.8 4,-2.6 -2,-0.8 3,-0.3 0.050 19.9 142.7-123.9 15.7 33.9 64.2 -15.9 40 40 A X H > + 0 0 7 23,-0.6 4,-2.4 1,-0.2 5,-0.1 -0.258 64.2 30.7 -39.1 152.2 31.6 67.3 -14.8 41 41 A A H > S- 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 145.2 -52.7 59.3 44.6 28.3 66.5 -13.0 42 42 A N H 4>S- 0 0 23 -3,-0.3 5,-2.7 1,-0.2 4,-0.3 0.924 109.5 -48.8 58.5 50.0 29.8 63.3 -11.4 43 43 A A H ><5S- 0 0 0 -4,-2.6 3,-2.1 3,-0.2 -1,-0.2 0.925 108.2 -54.0 49.1 52.5 30.9 62.0 -14.8 44 44 A Y H 3<5S- 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.911 109.9 -49.2 52.3 42.9 27.4 62.8 -16.3 45 45 A G T 3<5S+ 0 0 2 -4,-2.3 -1,-0.3 311,-0.1 -2,-0.2 0.459 122.7 106.3 77.4 3.0 25.9 60.7 -13.5 46 46 A H T < 5S- 0 0 0 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.603 98.5 -86.5 -87.1 -15.0 28.4 57.8 -14.1 47 47 A G >< - 0 0 6 -5,-2.7 4,-2.7 -6,-0.2 5,-0.3 0.672 32.9-147.6 106.7 90.6 30.6 58.4 -11.0 48 48 A A H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.923 95.5 46.2 -58.1 -45.2 33.4 60.9 -11.4 49 49 A V H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.957 116.4 42.6 -65.7 -48.4 35.8 59.3 -9.0 50 50 A A H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 117.9 46.1 -68.7 -37.1 35.4 55.7 -10.2 51 51 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.952 112.7 50.5 -67.3 -50.5 35.4 56.7 -13.9 52 52 A A H X S+ 0 0 0 -4,-2.9 4,-1.2 -5,-0.3 3,-0.2 0.904 111.9 46.7 -53.4 -47.4 38.5 59.0 -13.4 53 53 A K H < S+ 0 0 133 -4,-2.6 3,-0.4 -5,-0.2 4,-0.3 0.916 110.8 53.7 -62.7 -39.9 40.5 56.2 -11.6 54 54 A A H < S+ 0 0 21 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 122.2 26.4 -63.9 -34.3 39.5 53.6 -14.2 55 55 A I H >< S+ 0 0 1 -4,-1.6 3,-2.2 -3,-0.2 4,-0.3 0.359 84.3 111.1-113.4 3.1 40.8 55.7 -17.2 56 56 A Q G >< S+ 0 0 30 -4,-1.2 3,-1.3 -3,-0.4 -1,-0.1 0.846 78.3 52.9 -51.3 -43.6 43.5 57.9 -15.7 57 57 A D G 3 S+ 0 0 147 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.650 109.0 51.7 -66.6 -14.7 46.4 56.2 -17.5 58 58 A D G < S+ 0 0 76 -3,-2.2 2,-0.3 2,-0.0 -1,-0.2 0.318 105.3 56.8-108.1 5.5 44.7 56.7 -20.8 59 59 A V < - 0 0 2 -3,-1.3 -23,-0.2 -4,-0.3 3,-0.1 -0.877 68.2-138.1-135.2 164.2 43.9 60.4 -20.7 60 60 A D S S- 0 0 66 -25,-3.4 2,-0.3 -2,-0.3 -24,-0.2 0.464 78.6 -18.5-106.3 -2.3 46.0 63.5 -20.3 61 61 A G E -g 36 0B 0 -26,-0.7 -24,-2.7 19,-0.1 2,-0.3 -0.976 59.6-109.0 176.1 170.4 43.7 65.4 -18.0 62 62 A F E -gh 37 82B 2 19,-2.6 21,-3.0 -2,-0.3 2,-0.4 -0.917 17.1-153.1-119.1 150.1 40.2 65.9 -16.5 63 63 A C E +gh 38 83B 0 -26,-2.4 -24,-2.8 -2,-0.3 -23,-0.6 -0.991 19.2 172.7-119.9 133.0 37.7 68.6 -17.0 64 64 A V E - h 0 84B 0 19,-2.6 21,-3.1 -2,-0.4 22,-0.3 -0.766 37.4-123.1-129.1 175.4 35.0 69.5 -14.3 65 65 A S S S+ 0 0 11 -2,-0.2 21,-0.7 19,-0.2 2,-0.3 0.750 85.6 9.8 -96.4 -25.7 32.5 72.2 -13.9 66 66 A N S > S- 0 0 13 19,-0.1 4,-1.7 17,-0.1 3,-0.4 -0.948 76.5 -99.6-150.1 170.1 33.6 73.6 -10.6 67 67 A I H > S+ 0 0 5 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.851 116.4 58.8 -60.1 -37.8 36.3 73.6 -7.9 68 68 A D H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 105.2 48.7 -65.0 -39.1 34.4 71.2 -5.6 69 69 A E H > S+ 0 0 6 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.880 111.8 51.6 -63.0 -38.5 34.3 68.5 -8.3 70 70 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.914 109.1 49.2 -62.0 -45.0 38.0 69.1 -8.8 71 71 A I H X S+ 0 0 30 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.887 105.8 57.8 -62.2 -39.1 38.6 68.7 -5.0 72 72 A E H X S+ 0 0 39 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.923 108.4 46.2 -59.5 -44.4 36.6 65.5 -5.0 73 73 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 3,-0.6 0.943 114.4 47.1 -59.6 -49.8 39.0 64.0 -7.7 74 74 A R H ><5S+ 0 0 49 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.927 107.8 54.7 -61.5 -42.1 42.1 65.2 -5.8 75 75 A Q H 3<5S+ 0 0 162 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.5 54.5 -65.6 -22.3 40.9 63.8 -2.4 76 76 A A T <<5S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.400 126.7-103.1 -91.0 4.1 40.4 60.4 -4.1 77 77 A G T < 5 + 0 0 57 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.594 64.8 155.3 92.0 11.6 44.1 60.6 -5.2 78 78 A L < - 0 0 3 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.570 17.5-176.3 -69.8 136.6 43.8 61.5 -8.9 79 79 A S + 0 0 92 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.529 42.6 104.7-114.6 -11.1 47.0 63.2 -9.9 80 80 A K S S- 0 0 57 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.1 -0.272 85.7 -78.7 -69.9 161.6 46.5 64.3 -13.6 81 81 A P - 0 0 73 0, 0.0 -19,-2.6 0, 0.0 2,-0.5 -0.288 45.1-151.3 -57.8 143.1 45.8 68.0 -14.4 82 82 A I E -h 62 0B 0 18,-0.5 20,-3.0 -21,-0.2 2,-0.5 -0.979 5.0-159.9-123.8 121.4 42.2 69.2 -13.7 83 83 A L E -hi 63 102B 9 -21,-3.0 -19,-2.6 -2,-0.5 2,-0.6 -0.863 10.3-146.1 -99.3 126.5 40.7 72.0 -15.8 84 84 A I E -hi 64 103B 0 18,-3.0 20,-0.6 -2,-0.5 -19,-0.2 -0.852 11.4-162.2 -91.2 118.5 37.7 73.7 -14.3 85 85 A L E + 0 0 6 -21,-3.1 -20,-0.2 -2,-0.6 -1,-0.1 0.762 62.9 55.0 -77.1 -31.7 35.5 74.7 -17.3 86 86 A G E S- 0 0 8 -21,-0.7 18,-0.6 -22,-0.3 2,-0.2 -0.326 100.9 -71.2 -98.2-178.8 33.2 77.4 -15.8 87 87 A V E - i 0 104B 24 -2,-0.1 2,-0.3 16,-0.1 -1,-0.1 -0.550 49.8-144.0 -73.1 135.5 33.9 80.6 -14.0 88 88 A S - 0 0 5 16,-0.5 2,-0.1 -2,-0.2 287,-0.1 -0.706 21.6-100.9 -99.5 152.6 35.2 80.1 -10.4 89 89 A E > - 0 0 43 285,-0.5 3,-1.4 -2,-0.3 4,-0.5 -0.454 24.8-127.5 -68.0 145.2 34.4 82.3 -7.4 90 90 A I G > S+ 0 0 20 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.868 109.1 58.4 -58.1 -39.3 37.0 84.8 -6.5 91 91 A E G 3 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.503 104.5 52.6 -70.6 -4.9 37.1 83.5 -2.9 92 92 A A G <> S+ 0 0 2 -3,-1.4 4,-2.2 2,-0.1 -1,-0.2 0.528 82.4 86.8-112.6 -7.7 38.0 80.0 -4.1 93 93 A V H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.5 5,-0.2 0.860 84.9 55.5 -66.4 -38.5 41.0 80.8 -6.2 94 94 A A H > S+ 0 0 45 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.920 109.8 48.2 -60.3 -40.9 43.5 80.6 -3.3 95 95 A L H > S+ 0 0 59 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.935 110.0 52.0 -63.5 -46.0 42.3 77.1 -2.6 96 96 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.845 106.3 54.0 -55.2 -41.8 42.6 76.2 -6.3 97 97 A K H ><5S+ 0 0 47 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.937 106.7 51.6 -62.5 -44.2 46.2 77.4 -6.4 98 98 A E H 3<5S+ 0 0 147 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.853 115.3 42.1 -61.8 -32.8 47.1 75.1 -3.4 99 99 A Y T 3<5S- 0 0 85 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.419 110.7-122.4 -90.7 -1.4 45.6 72.1 -5.2 100 100 A D T < 5 + 0 0 98 -3,-1.2 -18,-0.5 -4,-0.5 2,-0.3 0.916 50.2 164.4 53.8 50.4 47.1 73.1 -8.6 101 101 A F < - 0 0 2 -5,-2.3 24,-0.6 -20,-0.1 2,-0.6 -0.681 38.6-125.1 -86.8 150.5 43.8 73.2 -10.5 102 102 A T E -ij 83 125B 10 -20,-3.0 -18,-3.0 -2,-0.3 2,-0.3 -0.888 30.0-153.8 -94.8 123.2 43.7 74.9 -13.8 103 103 A L E -ij 84 126B 0 22,-2.2 24,-2.5 -2,-0.6 2,-0.4 -0.746 11.2-126.3-101.2 147.8 41.0 77.6 -13.8 104 104 A T E -ij 87 127B 2 -20,-0.6 -16,-0.5 -18,-0.6 2,-0.5 -0.759 20.2-160.8 -88.8 131.7 39.1 79.1 -16.7 105 105 A V E + j 0 128B 1 22,-2.8 24,-2.5 -2,-0.4 34,-0.3 -0.971 20.9 160.6-116.3 128.7 39.2 82.9 -17.1 106 106 A A + 0 0 2 -2,-0.5 32,-0.3 1,-0.2 2,-0.3 0.595 50.9 31.7-128.8 -15.7 36.5 84.4 -19.1 107 107 A G > - 0 0 11 1,-0.1 4,-1.4 32,-0.1 -1,-0.2 -0.992 58.8-130.1-150.0 152.7 36.0 88.2 -18.5 108 108 A L H > S+ 0 0 54 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.805 107.1 60.2 -69.2 -34.9 37.9 91.3 -17.5 109 109 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.964 106.1 49.1 -58.8 -49.3 35.4 92.2 -14.7 110 110 A W H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 110.1 49.3 -52.6 -51.9 36.2 88.9 -13.0 111 111 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.895 110.1 52.6 -56.1 -43.3 40.0 89.4 -13.2 112 112 A Q H X S+ 0 0 96 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.939 108.7 48.7 -61.9 -48.5 39.6 92.9 -11.8 113 113 A A H X S+ 0 0 42 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.897 110.3 53.0 -56.2 -42.5 37.6 91.7 -8.8 114 114 A L H <>S+ 0 0 1 -4,-2.3 5,-0.6 1,-0.2 -2,-0.2 0.918 109.9 46.9 -59.9 -45.7 40.3 89.0 -8.3 115 115 A L H <5S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 103.7 62.8 -67.7 -29.8 43.1 91.6 -8.2 116 116 A D H <5S+ 0 0 112 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 0.898 94.7 64.8 -63.6 -45.4 41.1 93.9 -5.8 117 117 A K T <5S- 0 0 94 -4,-1.7 2,-1.0 -5,-0.1 0, 0.0 -0.697 98.1-135.4 -62.6 127.0 41.3 91.1 -3.3 118 118 A E T 5 + 0 0 189 -2,-0.5 2,-0.2 2,-0.0 -3,-0.1 -0.163 48.2 152.1 -92.6 49.8 45.1 91.3 -2.9 119 119 A V < - 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