==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN/PEPTIDE 04-AUG-10 3O9P . COMPND 2 MOLECULE: PERIPLASMIC MUREIN PEPTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.MAQBOOL,V.M.LEVDIKOV,E.V.BLAGOVA,A.J.WILKINSON,G.H.THOMAS . 509 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.8 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 3 1 3 0 0 4 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 5 3 2 2 1 2 1 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 . 3 0 1 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 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 7 A T 0 0 167 0, 0.0 507,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.7 43.0 63.2 15.9 2 8 A V + 0 0 87 2,-0.1 506,-2.4 505,-0.1 2,-0.2 0.590 360.0 98.9 -93.3 -10.5 39.8 64.9 16.8 3 9 A L B S-A 507 0A 72 504,-0.2 504,-0.3 1,-0.1 4,-0.1 -0.524 74.9-117.1 -89.5 142.5 40.0 63.8 20.5 4 10 A A - 0 0 16 502,-2.7 502,-0.2 -2,-0.2 -1,-0.1 -0.353 17.5-126.3 -71.2 155.0 41.3 66.0 23.4 5 11 A E S S+ 0 0 189 1,-0.2 2,-0.9 -2,-0.0 -1,-0.1 0.857 100.7 56.9 -64.9 -43.6 44.4 65.0 25.3 6 12 A K - 0 0 141 2,-0.1 2,-1.3 1,-0.1 -1,-0.2 -0.827 68.8-169.6 -99.1 104.8 42.7 65.1 28.7 7 13 A Q + 0 0 21 -2,-0.9 205,-3.3 203,-0.1 206,-1.0 -0.664 41.1 127.7 -93.1 73.4 39.7 62.7 28.6 8 14 A E E -b 213 0B 66 -2,-1.3 2,-0.4 203,-0.2 206,-0.2 -0.972 39.8-160.4-129.1 144.9 38.2 63.8 31.9 9 15 A L E -b 214 0B 1 204,-1.9 206,-2.6 -2,-0.3 2,-0.6 -0.982 13.4-153.2-132.1 141.2 34.6 65.0 32.5 10 16 A V E -b 215 0B 41 -2,-0.4 225,-2.1 204,-0.2 226,-1.0 -0.960 22.3-172.0-112.8 116.8 32.8 67.0 35.1 11 17 A R E -bc 216 236B 2 204,-2.9 206,-2.5 -2,-0.6 2,-0.3 -0.917 14.5-141.0-114.1 127.8 29.2 66.0 35.4 12 18 A H E -b 217 0B 2 224,-3.0 2,-0.3 -2,-0.5 204,-0.1 -0.676 16.8-175.9 -84.8 136.5 26.6 67.8 37.4 13 19 A I E -b 218 0B 0 204,-1.6 206,-1.6 -2,-0.3 226,-0.0 -0.957 30.1-125.9-122.6 145.4 24.0 65.8 39.3 14 20 A K S S+ 0 0 54 -2,-0.3 2,-0.3 204,-0.2 211,-0.1 0.726 81.0 17.2 -64.8 -26.9 21.2 67.6 41.2 15 21 A D S S- 0 0 8 203,-0.1 -1,-0.1 204,-0.1 204,-0.1 -0.982 83.8 -86.5-147.2 164.9 21.7 65.9 44.6 16 22 A E - 0 0 8 -2,-0.3 374,-0.3 202,-0.1 14,-0.2 -0.458 56.1-110.2 -65.4 123.5 23.9 63.9 46.9 17 23 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 175,-0.1 -0.309 17.8-149.2 -60.7 139.6 23.4 60.2 46.2 18 24 A A S S- 0 0 17 1,-0.3 2,-0.3 9,-0.1 -2,-0.0 0.787 73.6 -11.2 -78.9 -34.5 21.6 58.3 48.9 19 25 A S - 0 0 26 1,-0.1 -1,-0.3 3,-0.0 7,-0.1 -0.920 43.1-150.4-168.1 140.8 23.3 54.9 48.4 20 26 A L S S+ 0 0 1 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.325 70.3 105.7 -98.6 6.1 25.5 53.2 45.8 21 27 A D >> - 0 0 4 1,-0.2 3,-2.5 140,-0.0 4,-1.4 -0.790 68.8-143.2 -86.7 116.3 24.1 49.7 46.5 22 28 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.817 100.7 55.5 -48.7 -34.9 21.8 48.8 43.7 23 29 A A T 34 S+ 0 0 5 1,-0.2 80,-0.4 78,-0.1 81,-0.1 0.500 115.5 36.8 -82.3 0.4 19.5 47.1 46.1 24 30 A K T <4 S+ 0 0 92 -3,-2.5 -1,-0.2 77,-0.2 2,-0.1 0.470 91.5 105.7-128.0 -4.3 19.1 50.2 48.3 25 31 A A < + 0 0 0 -4,-1.4 -5,-0.1 -3,-0.1 3,-0.1 -0.369 34.0 168.1 -70.7 151.1 19.1 52.9 45.6 26 32 A V + 0 0 27 1,-0.2 2,-0.2 -7,-0.1 -1,-0.1 0.638 51.9 33.8-139.6 -23.0 15.8 54.6 44.8 27 33 A G S >> S- 0 0 9 381,-0.0 4,-2.3 0, 0.0 3,-0.6 -0.805 83.0 -89.1-137.2 177.9 16.3 57.7 42.6 28 34 A L H 3> S+ 0 0 31 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.681 110.4 66.5 -64.9 -25.8 18.3 59.3 39.9 29 35 A P H 3> S+ 0 0 9 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.972 117.2 28.5 -58.9 -52.1 21.0 61.0 42.0 30 36 A E H X> S+ 0 0 0 -3,-0.6 4,-2.5 -14,-0.2 3,-1.1 0.888 118.2 58.5 -59.5 -52.7 22.4 57.4 43.0 31 37 A I H 3X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.3 -3,-0.2 0.885 97.8 59.3 -59.4 -38.3 21.2 55.7 39.9 32 38 A Q H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.827 113.3 39.2 -59.2 -33.6 23.3 57.9 37.6 33 39 A V H XX S+ 0 0 0 -3,-1.1 4,-1.6 -4,-0.5 3,-1.5 0.847 108.4 59.8 -84.3 -39.5 26.4 56.9 39.3 34 40 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.871 97.1 62.5 -58.6 -36.2 25.5 53.2 39.8 35 41 A R H 3< S+ 0 0 25 -4,-2.1 148,-0.3 1,-0.2 -1,-0.3 0.674 106.5 45.4 -66.6 -20.0 25.2 52.8 36.0 36 42 A D H <4 S+ 0 0 2 -3,-1.5 148,-2.2 -4,-0.2 -1,-0.2 0.805 118.9 40.4 -83.0 -34.4 28.9 53.7 35.7 37 43 A L H < S+ 0 0 4 -4,-1.6 145,-2.3 146,-0.2 2,-0.3 0.684 121.4 32.9 -88.5 -25.4 30.0 51.4 38.6 38 44 A F < - 0 0 2 -4,-2.7 2,-0.3 143,-0.3 145,-0.3 -0.842 63.3-154.5-128.8 166.8 27.8 48.4 37.8 39 45 A E - 0 0 4 -2,-0.3 4,-0.1 121,-0.2 2,-0.1 -0.982 7.5-148.4-146.6 137.0 26.3 46.6 34.7 40 46 A G - 0 0 0 2,-0.4 14,-2.3 -2,-0.3 15,-0.2 -0.209 45.0 -83.0 -91.3-173.7 23.2 44.5 34.2 41 47 A L S S+ 0 0 0 112,-0.4 14,-2.2 117,-0.3 12,-1.6 0.876 114.9 17.2 -56.2 -38.8 22.5 41.7 31.8 42 48 A V E -G 52 0C 0 111,-0.4 -2,-0.4 11,-0.2 2,-0.3 -0.858 67.7-149.9-133.0 163.2 21.7 44.3 29.2 43 49 A N E -G 51 0C 4 8,-2.9 8,-2.8 -2,-0.3 2,-0.4 -0.768 22.0-116.2-116.9 173.5 22.2 48.0 28.5 44 50 A Q E -G 50 0C 12 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.902 21.7-142.4-106.1 140.3 20.2 50.6 26.6 45 51 A N > - 0 0 28 4,-2.8 3,-1.3 -2,-0.4 453,-0.2 -0.191 42.8 -84.8 -84.0-175.4 21.4 52.3 23.5 46 52 A E T 3 S+ 0 0 114 1,-0.3 451,-0.1 2,-0.1 452,-0.1 0.842 131.5 52.5 -61.6 -33.7 20.7 56.0 22.8 47 53 A K T 3 S- 0 0 140 447,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.549 121.5-107.8 -77.1 -5.1 17.4 55.1 21.2 48 54 A G S < S+ 0 0 16 -3,-1.3 2,-0.2 1,-0.3 365,-0.1 0.598 72.8 144.0 87.0 8.4 16.4 53.1 24.4 49 55 A E - 0 0 101 1,-0.1 -4,-2.8 -5,-0.0 2,-0.3 -0.563 57.1-104.0 -79.0 151.9 16.8 49.8 22.6 50 56 A I E +G 44 0C 35 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.612 45.3 172.8 -76.8 129.0 18.2 46.8 24.5 51 57 A V E -G 43 0C 45 -8,-2.8 -8,-2.9 -2,-0.3 4,-0.1 -0.903 41.2 -66.2-132.4 161.0 21.9 45.9 23.7 52 58 A P E +G 42 0C 57 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.120 52.8 158.1 -52.9 135.2 24.3 43.4 25.2 53 59 A G S S- 0 0 0 -12,-1.6 -12,-0.2 2,-1.2 -11,-0.2 0.106 81.1 -25.4-114.6-122.4 25.6 43.9 28.8 54 60 A V S S+ 0 0 0 -14,-2.3 17,-2.7 -12,-0.1 2,-0.3 0.898 135.6 66.8 -58.0 -37.6 27.0 41.1 30.8 55 61 A A E -H 70 0D 0 -14,-2.2 -2,-1.2 15,-0.3 15,-0.3 -0.649 59.1-170.2 -86.5 140.2 24.7 38.9 28.4 56 62 A T E S+ 0 0 51 13,-2.0 2,-0.3 -2,-0.3 14,-0.2 0.620 77.0 21.0 -92.2 -23.7 25.4 38.5 24.7 57 63 A Q E -H 69 0D 92 12,-1.5 12,-1.9 2,-0.0 2,-0.3 -0.990 54.9-169.7-146.4 156.8 22.1 36.7 24.2 58 64 A W E -H 68 0D 73 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.988 14.4-176.3-146.9 131.4 18.7 36.2 25.6 59 65 A K E +H 67 0D 110 8,-2.1 8,-3.2 -2,-0.3 2,-0.3 -0.984 10.5 167.3-133.5 146.7 16.1 33.7 24.5 60 66 A S - 0 0 34 -2,-0.4 6,-0.1 6,-0.2 -2,-0.0 -0.934 20.4-164.1-154.8 131.6 12.5 32.7 25.3 61 67 A N S S+ 0 0 176 4,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.746 98.5 15.8 -82.1 -24.9 9.9 30.5 23.5 62 68 A D S S- 0 0 68 3,-0.4 -1,-0.1 84,-0.0 4,-0.1 0.147 101.6-109.4-132.7 10.4 6.9 31.8 25.4 63 69 A N S S+ 0 0 58 2,-0.3 83,-2.4 82,-0.2 81,-0.1 0.535 106.3 78.9 57.1 14.1 8.1 35.0 27.1 64 70 A R S S+ 0 0 85 1,-0.3 78,-3.2 81,-0.2 2,-0.6 0.700 85.8 47.0-110.2 -40.7 7.9 33.2 30.5 65 71 A I E S- I 0 141D 50 76,-0.2 2,-0.5 2,-0.0 -4,-0.4 -0.978 74.9-169.9-107.2 118.4 11.1 31.1 30.7 66 72 A W E - I 0 140D 16 74,-2.6 74,-2.7 -2,-0.6 2,-0.5 -0.951 10.6-161.9-116.1 132.7 14.1 33.2 29.8 67 73 A T E -HI 59 139D 48 -8,-3.2 -8,-2.1 -2,-0.5 2,-0.5 -0.950 6.7-165.6-115.6 119.1 17.6 32.0 29.1 68 74 A F E -HI 58 138D 0 70,-3.4 70,-2.3 -2,-0.5 2,-0.6 -0.885 9.2-151.3 -98.9 128.3 20.6 34.4 29.2 69 75 A T E -HI 57 137D 49 -12,-1.9 -13,-2.0 -2,-0.5 -12,-1.5 -0.869 17.9-151.7 -92.0 125.8 24.0 33.6 27.8 70 76 A L E -H 55 0D 4 66,-2.4 -15,-0.3 -2,-0.6 2,-0.1 -0.647 20.1-105.2 -94.1 146.6 26.7 35.5 29.6 71 77 A R > - 0 0 39 -17,-2.7 3,-0.8 -2,-0.3 11,-0.2 -0.470 21.6-132.2 -67.4 140.2 30.0 36.6 28.1 72 78 A D T 3 S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.576 101.8 47.0 -54.3 -32.2 33.1 34.6 29.3 73 79 A N T 3 S+ 0 0 76 -19,-0.1 2,-0.3 8,-0.1 -1,-0.2 0.098 72.5 128.2-116.4 21.4 35.2 37.6 30.0 74 80 A A < - 0 0 1 -3,-0.8 8,-2.5 8,-0.3 2,-0.3 -0.623 42.5-169.8 -71.7 135.3 32.8 39.9 32.0 75 81 A K B -K 81 0E 67 -2,-0.3 129,-0.2 6,-0.3 2,-0.1 -0.962 27.4-125.9-136.5 148.3 34.7 40.9 35.2 76 82 A W > - 0 0 2 4,-2.7 3,-2.1 -2,-0.3 105,-0.2 -0.343 48.4 -97.8 -69.3 161.2 34.3 42.6 38.5 77 83 A A T 3 S+ 0 0 19 103,-1.9 124,-0.2 1,-0.3 125,-0.1 0.713 124.8 61.5 -64.1 -11.2 36.7 45.5 39.3 78 84 A D T 3 S- 0 0 70 102,-0.1 -1,-0.3 2,-0.1 103,-0.1 0.212 120.6-106.9 -96.5 17.8 38.9 43.0 41.2 79 85 A G S < S+ 0 0 27 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.0 0.375 78.8 128.7 74.4 -0.0 39.5 41.0 38.0 80 86 A T - 0 0 56 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.2 -0.484 64.2 -92.7 -82.1 158.3 37.2 38.0 39.0 81 87 A P B -K 75 0E 72 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.299 24.1-126.9 -76.0 151.5 34.6 36.8 36.7 82 88 A V - 0 0 4 -8,-2.5 -8,-0.3 -11,-0.2 2,-0.2 -0.871 40.8-175.3 -93.0 123.2 30.9 37.9 36.5 83 89 A T > - 0 0 29 -2,-0.6 4,-1.2 1,-0.1 3,-0.5 -0.704 42.9-110.0-115.9 163.5 28.8 34.7 36.8 84 90 A A H > S+ 0 0 0 51,-1.9 4,-2.1 -2,-0.2 3,-0.3 0.896 119.0 60.5 -55.3 -40.6 25.2 33.5 36.6 85 91 A Q H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.863 94.7 61.9 -58.9 -33.9 25.5 32.8 40.3 86 92 A D H > S+ 0 0 20 -3,-0.5 4,-2.1 1,-0.2 75,-0.4 0.926 107.2 44.6 -55.4 -45.7 26.3 36.4 41.0 87 93 A F H X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.3 5,-0.3 0.870 110.4 53.3 -66.5 -41.2 22.9 37.3 39.6 88 94 A V H X S+ 0 0 23 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.957 113.0 44.6 -55.2 -53.8 21.1 34.5 41.5 89 95 A Y H X S+ 0 0 41 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.900 115.3 47.9 -54.8 -46.5 22.7 35.8 44.7 90 96 A S H X S+ 0 0 7 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.886 112.9 46.6 -73.4 -37.7 21.9 39.5 43.9 91 97 A W H X S+ 0 0 1 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.906 112.0 50.1 -75.7 -35.3 18.2 38.9 42.9 92 98 A Q H X S+ 0 0 45 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.917 111.3 51.0 -59.7 -44.2 17.5 36.8 46.0 93 99 A R H < S+ 0 0 30 -4,-1.9 6,-0.3 -5,-0.3 8,-0.2 0.872 104.2 57.3 -60.6 -37.5 19.1 39.6 47.9 94 100 A L H < S+ 0 0 1 -4,-1.7 7,-0.3 1,-0.2 -1,-0.2 0.880 116.4 35.1 -58.7 -41.0 16.7 42.2 46.2 95 101 A V H < S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.620 90.6 113.7 -90.8 -16.4 13.6 40.3 47.4 96 102 A D >X - 0 0 37 -4,-1.6 3,-2.3 -5,-0.2 4,-0.7 -0.393 65.6-141.1 -60.5 116.4 15.1 39.2 50.8 97 103 A P G >4 S+ 0 0 61 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.810 100.3 67.2 -46.7 -29.5 13.2 40.9 53.6 98 104 A K G 34 S+ 0 0 193 1,-0.2 -5,-0.1 2,-0.1 -2,-0.1 0.820 97.2 53.8 -63.2 -31.3 16.6 41.3 55.4 99 105 A T G <4 S- 0 0 14 -3,-2.3 -1,-0.2 -6,-0.3 -5,-0.1 0.727 88.6-152.9 -72.9 -28.4 17.7 43.7 52.7 100 106 A L << - 0 0 148 -3,-0.8 -2,-0.1 -4,-0.7 -5,-0.1 0.903 24.3-171.1 50.7 44.6 14.6 46.1 53.0 101 107 A S > - 0 0 9 -5,-0.4 3,-1.3 -7,-0.3 4,-0.3 -0.464 28.9-145.8 -68.5 135.6 15.1 47.0 49.4 102 108 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -78,-0.1 0.531 104.4 47.6 -78.3 1.1 13.0 49.9 48.2 103 109 A F T > S+ 0 0 4 -80,-0.4 3,-2.5 -9,-0.1 4,-0.4 0.227 73.1 112.2-116.2 17.7 12.9 48.1 44.9 104 110 A A T X> S+ 0 0 10 -3,-1.3 3,-2.0 1,-0.3 4,-0.6 0.920 73.3 64.0 -57.1 -40.2 12.0 44.5 46.2 105 111 A W H 3> S+ 0 0 13 1,-0.3 4,-2.9 -4,-0.3 3,-0.3 0.678 84.7 76.2 -58.7 -19.1 8.6 44.9 44.5 106 112 A F H <> S+ 0 0 0 -3,-2.5 4,-1.3 1,-0.3 -1,-0.3 0.825 89.5 55.2 -65.3 -32.9 10.4 45.1 41.1 107 113 A A H <>>S+ 0 0 1 -3,-2.0 5,-2.0 -4,-0.4 4,-0.8 0.849 109.7 47.7 -67.3 -35.2 11.0 41.3 41.1 108 114 A A H ><5S+ 0 0 30 -4,-0.6 3,-0.7 -3,-0.3 -2,-0.2 0.921 107.9 54.2 -71.6 -42.9 7.1 40.9 41.6 109 115 A L H 3<5S+ 0 0 39 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.847 107.0 52.1 -55.7 -34.0 6.4 43.3 38.8 110 116 A A H 3<5S- 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 34,-0.2 0.788 110.3-129.0 -72.5 -26.2 8.7 41.1 36.6 111 117 A G T <<5 + 0 0 11 -4,-0.8 32,-4.0 -3,-0.7 33,-0.2 0.654 41.6 173.1 84.6 20.8 6.6 38.1 37.7 112 118 A I B > < -L 142 0F 0 -5,-2.0 3,-2.3 30,-0.3 4,-0.3 -0.450 48.6 -87.2 -67.7 138.1 9.7 36.1 38.7 113 119 A N T 3 S- 0 0 53 28,-2.9 16,-2.1 1,-0.3 -1,-0.1 -0.163 106.2 -1.0 -63.8 131.2 8.5 33.0 40.4 114 120 A N T 3> S+ 0 0 60 14,-0.2 4,-2.3 -3,-0.1 -1,-0.3 0.384 86.4 134.5 74.6 6.2 7.8 33.3 44.1 115 121 A A H <> S+ 0 0 2 -3,-2.3 4,-2.6 1,-0.2 5,-0.2 0.926 74.3 43.0 -51.1 -56.7 8.9 37.0 44.3 116 122 A Q H > S+ 0 0 60 -4,-0.3 4,-2.4 1,-0.2 6,-0.2 0.902 111.1 54.2 -62.9 -38.7 5.9 38.2 46.4 117 123 A A H 4>S+ 0 0 31 2,-0.2 5,-2.8 1,-0.2 6,-1.1 0.903 111.9 46.1 -60.4 -37.9 5.9 35.2 48.7 118 124 A I H ><5S+ 0 0 0 -4,-2.3 3,-1.7 4,-0.2 -2,-0.2 0.949 110.6 50.7 -70.1 -46.0 9.6 35.9 49.5 119 125 A I H 3<5S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.896 113.3 48.1 -56.1 -39.1 9.1 39.6 50.0 120 126 A D T 3<5S- 0 0 86 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.453 115.9-114.9 -84.0 -1.1 6.3 38.7 52.4 121 127 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.623 86.6 112.7 79.4 15.0 8.3 36.1 54.3 122 128 A K S - 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