==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 12-JAN-99 1B58 . COMPND 2 MOLECULE: PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,A.J.WILKINSON . 520 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.2 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 . 5 1.0 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 . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 1 2 0 2 3 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 1 0 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 2 1 2 1 2 1 0 0 1 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 1 0 1 0 1 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 1 A A 0 0 12 0, 0.0 2,-0.6 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 151.7 2.1 8.1 -8.2 2 2 A D - 0 0 135 509,-0.4 511,-0.1 495,-0.0 495,-0.1 -0.922 360.0-158.8-117.8 93.5 1.2 4.5 -9.1 3 3 A V - 0 0 53 -2,-0.6 3,-0.1 1,-0.1 509,-0.0 -0.682 18.6-121.1 -77.9 125.6 -2.1 4.6 -11.0 4 4 A P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.231 32.0 -95.1 -64.6 153.7 -4.0 1.3 -11.1 5 5 A A T 3 S+ 0 0 106 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.433 111.0 26.9 -66.9 140.5 -4.8 -0.4 -14.3 6 6 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.243 87.2 127.6 89.7 -14.1 -8.4 0.5 -15.4 7 7 A V < - 0 0 46 -3,-1.5 2,-0.6 1,-0.0 -1,-0.3 -0.611 51.8-142.2 -77.7 139.2 -8.5 3.9 -13.7 8 8 A Q - 0 0 127 -2,-0.3 508,-3.7 508,-0.1 2,-0.3 -0.869 16.5-143.8-103.4 122.7 -9.6 6.8 -15.9 9 9 A L B -A 515 0A 68 -2,-0.6 506,-0.3 506,-0.3 4,-0.1 -0.611 19.6-109.4 -85.5 138.4 -7.7 10.0 -15.0 10 10 A A - 0 0 15 504,-2.2 504,-0.2 -2,-0.3 506,-0.1 -0.244 21.8-126.5 -55.3 154.5 -9.3 13.4 -15.2 11 11 A D S S+ 0 0 174 1,-0.1 2,-0.6 504,-0.1 -1,-0.1 0.824 101.6 57.6 -71.3 -37.7 -8.1 15.6 -18.0 12 12 A K S S- 0 0 145 2,-0.1 2,-0.9 206,-0.0 -2,-0.1 -0.882 70.5-167.0 -97.4 120.6 -7.3 18.3 -15.4 13 13 A Q + 0 0 13 -2,-0.6 206,-2.3 204,-0.1 207,-1.1 -0.708 36.7 130.9-109.2 76.8 -4.9 17.2 -12.7 14 14 A T E -b 220 0B 36 -2,-0.9 2,-0.3 204,-0.2 207,-0.2 -0.896 33.9-164.1-124.4 156.0 -5.2 19.9 -10.1 15 15 A L E -b 221 0B 1 205,-1.9 207,-2.6 -2,-0.3 2,-0.5 -0.994 9.6-159.0-141.6 142.0 -5.7 19.6 -6.3 16 16 A V E -b 222 0B 32 -2,-0.3 226,-1.9 205,-0.2 227,-1.2 -0.988 17.0-177.1-122.1 122.5 -6.7 22.0 -3.5 17 17 A R E -bc 223 243B 1 205,-3.3 207,-2.1 -2,-0.5 2,-0.3 -0.971 24.3-132.2-119.3 135.5 -5.8 21.0 0.1 18 18 A N E -b 224 0B 3 225,-2.2 228,-0.1 -2,-0.4 205,-0.0 -0.680 19.6-170.9 -82.7 141.3 -6.6 22.9 3.3 19 19 A N - 0 0 3 205,-2.4 2,-0.5 -2,-0.3 19,-0.1 0.217 34.4-118.0-121.8 12.5 -3.5 23.2 5.4 20 20 A G S S- 0 0 12 206,-0.4 2,-0.3 204,-0.1 -2,-0.0 0.017 77.4 -5.5 81.3 -26.0 -4.8 24.6 8.8 21 21 A S S S- 0 0 8 -2,-0.5 205,-0.2 203,-0.4 2,-0.2 -0.943 89.7 -62.1-178.4 172.6 -3.0 27.9 8.9 22 22 A E - 0 0 11 203,-0.3 376,-0.2 -2,-0.3 2,-0.1 -0.464 62.3-112.3 -70.3 134.2 -0.4 30.2 7.3 23 23 A V - 0 0 4 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.453 10.1-132.4 -70.0 149.9 3.0 28.5 7.3 24 24 A Q S S- 0 0 50 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.832 80.1 -33.5 -63.8 -40.7 5.7 30.0 9.5 25 25 A S - 0 0 22 1,-0.0 -1,-0.2 3,-0.0 0, 0.0 -0.966 40.4-126.8-168.3 169.7 8.1 29.8 6.6 26 26 A L S S+ 0 0 9 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.292 78.7 104.6-106.4 -8.5 9.2 27.8 3.5 27 27 A D > - 0 0 7 1,-0.1 3,-2.4 150,-0.1 4,-0.4 -0.771 69.7-142.7 -77.2 121.0 12.8 27.5 4.6 28 28 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.651 98.4 55.5 -56.8 -23.1 13.2 23.9 5.8 29 29 A H T 3 S+ 0 0 0 1,-0.2 80,-0.5 135,-0.1 81,-0.1 0.505 107.0 49.9 -89.9 -2.3 15.6 25.0 8.6 30 30 A K S < S+ 0 0 70 -3,-2.4 2,-0.3 77,-0.2 -1,-0.2 0.254 92.5 90.1-116.1 7.1 13.1 27.5 10.1 31 31 A I + 0 0 5 -4,-0.4 132,-0.1 -3,-0.3 -5,-0.0 -0.754 31.9 164.7-109.6 153.4 9.9 25.3 10.4 32 32 A E + 0 0 8 -2,-0.3 488,-2.2 488,-0.1 2,-0.2 0.432 50.4 82.7-142.6 3.5 8.5 23.1 13.2 33 33 A G B > S-g 520 0C 0 486,-0.2 4,-2.0 1,-0.1 488,-0.2 -0.567 77.1-112.2-113.8 176.2 4.9 22.3 12.5 34 34 A V H > S+ 0 0 6 486,-2.5 4,-2.3 2,-0.2 5,-0.1 0.916 115.4 52.2 -69.4 -44.2 2.6 20.0 10.5 35 35 A P H > S+ 0 0 3 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.923 112.0 47.2 -58.6 -41.5 1.3 22.7 8.1 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.906 113.1 48.4 -68.0 -38.4 4.9 23.7 7.3 37 37 A S H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.819 102.4 63.2 -72.3 -32.9 5.9 20.1 6.8 38 38 A N H < S+ 0 0 1 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.899 112.8 34.4 -58.0 -50.4 2.9 19.4 4.5 39 39 A V H >X S+ 0 0 0 -4,-1.4 4,-1.3 -3,-0.2 3,-1.3 0.911 113.4 61.0 -71.7 -38.2 4.2 22.0 2.0 40 40 A S H 3X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.3 3,-0.5 0.858 97.5 57.4 -57.8 -39.0 7.9 21.2 2.6 41 41 A R H 3< S+ 0 0 14 -4,-2.4 149,-0.3 1,-0.3 -1,-0.3 0.713 106.2 50.9 -65.4 -28.9 7.6 17.6 1.5 42 42 A D H <4 S+ 0 0 3 -3,-1.3 149,-1.9 -4,-0.5 -1,-0.3 0.805 120.8 32.4 -75.6 -29.7 6.3 18.7 -1.8 43 43 A L H < S+ 0 0 0 -4,-1.3 146,-2.4 -3,-0.5 145,-1.1 0.780 117.8 41.3 -97.8 -32.7 9.2 21.1 -2.4 44 44 A F < - 0 0 3 -4,-2.9 2,-0.5 144,-0.2 -1,-0.2 -0.986 61.7-162.7-127.4 128.0 12.3 19.7 -0.7 45 45 A E - 0 0 8 -2,-0.4 4,-0.1 -3,-0.1 115,-0.1 -0.939 7.4-166.7-114.3 131.3 13.4 16.1 -0.8 46 46 A G - 0 0 4 -2,-0.5 14,-2.5 2,-0.4 15,-0.3 -0.013 46.9 -69.1 -92.4-157.4 16.0 14.6 1.6 47 47 A L S S+ 0 0 1 117,-0.4 12,-2.1 112,-0.3 14,-1.9 0.864 117.6 18.3 -63.9 -48.2 17.9 11.3 1.7 48 48 A L E -N 58 0D 1 111,-0.7 -2,-0.4 10,-0.3 2,-0.3 -0.879 67.3-170.1-118.5 157.9 14.9 9.0 2.4 49 49 A I E -N 57 0D 11 8,-2.9 8,-3.5 -2,-0.3 2,-0.3 -0.871 31.5-100.0-135.7 169.5 11.1 9.8 1.9 50 50 A S E -N 56 0D 2 -2,-0.3 2,-0.1 6,-0.2 5,-0.1 -0.753 29.8-133.9 -89.4 144.7 8.1 7.7 3.0 51 51 A D > - 0 0 55 4,-2.1 3,-2.3 -2,-0.3 455,-0.1 -0.231 45.8 -81.0 -81.4 180.0 6.3 5.4 0.6 52 52 A V T 3 S+ 0 0 67 1,-0.3 449,-0.4 2,-0.1 447,-0.3 0.629 132.9 49.0 -68.0 -6.4 2.5 5.5 0.5 53 53 A E T 3 S- 0 0 86 2,-0.1 -1,-0.3 448,-0.1 -3,-0.0 0.384 122.3-101.9-109.5 6.4 2.3 3.2 3.5 54 54 A G S < S+ 0 0 15 -3,-2.3 -2,-0.1 1,-0.3 3,-0.0 0.426 71.9 141.7 95.3 -4.0 4.7 5.2 5.6 55 55 A H - 0 0 96 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.554 60.4-106.9 -78.6 139.7 7.9 3.1 5.3 56 56 A P E +N 50 0D 47 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.383 54.9 167.3 -60.1 125.6 11.2 4.9 5.0 57 57 A S E -N 49 0D 24 -8,-3.5 -8,-2.9 -3,-0.0 4,-0.1 -0.943 40.7 -59.2-143.1 172.0 12.3 4.5 1.3 58 58 A P E +N 48 0D 55 0, 0.0 -10,-0.3 0, 0.0 4,-0.2 -0.249 53.9 156.1 -54.1 130.8 14.8 5.8 -1.1 59 59 A G S S- 0 0 0 -12,-2.1 -12,-0.2 2,-0.5 -11,-0.2 0.327 81.3 -21.9-116.9-107.9 14.6 9.6 -1.8 60 60 A V S S+ 0 0 0 -14,-2.5 17,-2.6 -12,-0.1 2,-0.6 0.876 133.4 71.3 -70.8 -32.2 17.7 11.3 -3.1 61 61 A A E -O 76 0E 0 -14,-1.9 -2,-0.5 -15,-0.3 15,-0.3 -0.678 65.1-170.2 -82.6 124.4 19.7 8.4 -1.6 62 62 A E E S- 0 0 84 13,-2.1 2,-0.3 -2,-0.6 14,-0.2 0.807 72.0 -0.7 -85.3 -20.8 19.1 5.3 -3.7 63 63 A K E -O 75 0E 121 12,-1.3 12,-3.2 2,-0.0 2,-0.3 -0.982 63.0-174.0-163.3 154.4 20.8 3.0 -1.2 64 64 A W E -O 74 0E 65 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.964 3.4-168.6-147.8 160.6 22.6 3.2 2.1 65 65 A E E -O 73 0E 93 8,-1.4 8,-2.8 -2,-0.3 2,-0.3 -0.922 10.6-148.5-142.3 165.7 24.6 0.9 4.5 66 66 A N E -O 72 0E 62 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.956 8.7-141.1-135.1 156.6 25.8 1.3 8.0 67 67 A K E >> S-O 71 0E 139 4,-2.4 3,-2.3 -2,-0.3 4,-1.3 -0.969 88.1 -26.1-119.5 112.4 28.8 0.0 10.0 68 68 A D T 34 S- 0 0 105 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.768 109.4 -76.4 60.6 24.3 27.9 -0.9 13.6 69 69 A F T 34 S+ 0 0 86 2,-0.2 83,-2.2 82,-0.2 -1,-0.3 0.566 126.3 85.9 60.4 17.4 25.0 1.6 13.4 70 70 A K T <4 S+ 0 0 86 -3,-2.3 78,-3.3 1,-0.3 2,-0.5 0.647 82.0 45.9-117.5 -29.7 27.6 4.4 13.8 71 71 A V E < -OP 67 147E 40 -4,-1.3 -4,-2.4 76,-0.2 2,-0.4 -0.993 69.6-173.1-119.5 116.2 28.9 5.2 10.3 72 72 A W E -OP 66 146E 6 74,-2.8 74,-2.9 -2,-0.5 2,-0.5 -0.956 5.1-161.8-114.7 132.7 26.1 5.5 7.7 73 73 A T E -OP 65 145E 25 -8,-2.8 -8,-1.4 -2,-0.4 2,-0.5 -0.956 1.5-159.9-119.8 125.4 26.9 5.9 4.0 74 74 A F E -OP 64 144E 0 70,-3.3 70,-2.2 -2,-0.5 2,-0.7 -0.890 6.5-153.3-106.4 123.7 24.3 7.2 1.5 75 75 A H E -OP 63 143E 53 -12,-3.2 -13,-2.1 -2,-0.5 -12,-1.3 -0.842 21.2-148.5 -92.5 110.8 24.7 6.5 -2.2 76 76 A L E -O 61 0E 5 66,-2.4 -15,-0.2 -2,-0.7 -16,-0.1 -0.637 18.4-109.3 -87.0 139.2 22.9 9.4 -4.0 77 77 A R > - 0 0 25 -17,-2.6 3,-1.3 -2,-0.3 11,-0.2 -0.356 22.4-134.2 -66.2 142.3 21.2 8.8 -7.4 78 78 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.1 10,-0.1 0.751 98.5 58.1 -75.4 -14.0 23.1 10.5 -10.2 79 79 A N T 3 S+ 0 0 85 8,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.211 71.2 123.4 -98.4 15.4 20.0 12.1 -11.8 80 80 A A < + 0 0 3 -3,-1.3 8,-2.7 8,-0.2 2,-0.3 -0.595 40.3 174.8 -71.9 128.3 18.8 14.0 -8.8 81 81 A K B -R 87 0F 90 -2,-0.4 130,-0.2 128,-0.3 2,-0.2 -0.929 32.5-120.8-136.1 156.2 18.5 17.7 -9.8 82 82 A W > - 0 0 5 4,-3.0 3,-1.9 -2,-0.3 106,-0.2 -0.494 45.0 -99.1 -81.4 163.6 17.3 21.1 -8.4 83 83 A S T 3 S+ 0 0 25 104,-2.3 126,-0.1 1,-0.3 105,-0.1 0.693 122.6 62.7 -65.4 -14.5 14.6 22.9 -10.3 84 84 A D T 3 S- 0 0 82 103,-0.2 -1,-0.3 2,-0.1 102,-0.0 0.308 122.6-105.1 -89.3 10.8 17.2 25.2 -12.1 85 85 A G S < S+ 0 0 26 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.303 79.1 131.7 83.3 -5.6 18.6 22.0 -13.7 86 86 A T - 0 0 64 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.491 62.5 -97.5 -82.1 151.4 21.8 21.8 -11.4 87 87 A P B -R 81 0F 75 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.315 22.1-129.1 -66.8 143.0 22.7 18.5 -9.8 88 88 A V + 0 0 3 -8,-2.7 2,-0.3 -11,-0.2 -8,-0.2 -0.843 42.3 179.1 -85.4 126.1 21.8 17.6 -6.2 89 89 A T >> - 0 0 20 -2,-0.5 3,-1.0 1,-0.1 4,-0.8 -0.884 47.1-104.5-122.6 172.7 25.1 16.4 -4.7 90 90 A A H >> S+ 0 0 0 51,-3.0 4,-1.9 -2,-0.3 3,-0.6 0.843 118.0 66.2 -62.6 -28.6 26.5 15.2 -1.4 91 91 A H H 3> S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.883 94.4 57.6 -60.1 -34.8 28.0 18.7 -1.0 92 92 A D H <> S+ 0 0 25 -3,-1.0 4,-2.2 1,-0.2 75,-0.5 0.848 107.3 47.6 -61.0 -40.0 24.5 20.1 -0.7 93 93 A F H X - 0 0 50 -4,-2.0 3,-1.8 1,-0.1 4,-0.7 -0.377 66.8-143.3 -61.4 122.4 24.9 26.5 13.2 103 103 A P G >4 S+ 0 0 65 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.818 99.2 66.0 -55.3 -34.5 23.7 28.8 16.1 104 104 A N G 34 S+ 0 0 148 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.866 97.3 54.8 -59.4 -32.7 23.5 31.7 13.7 105 105 A T G <4 S- 0 0 16 -3,-1.8 -1,-0.3 -6,-0.3 -5,-0.1 0.794 89.7-158.0 -66.7 -32.6 20.7 29.9 11.8 106 106 A A << - 0 0 73 -3,-0.8 -2,-0.1 -4,-0.7 -5,-0.1 0.915 17.3-172.2 56.6 40.9 18.8 29.7 15.2 107 107 A S > - 0 0 7 -5,-0.4 3,-2.1 -7,-0.4 4,-0.2 -0.549 28.0-142.1 -66.0 135.4 16.8 26.7 13.8 108 108 A P T 3 S+ 0 0 26 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.673 106.2 51.4 -65.3 -19.8 14.0 25.7 16.1 109 109 A Y T > S+ 0 0 1 -80,-0.5 3,-2.5 1,-0.2 4,-0.3 0.212 70.2 118.4-105.3 21.7 14.9 22.2 15.0 110 110 A A T X S+ 0 0 17 -3,-2.1 3,-1.5 1,-0.3 4,-0.4 0.863 70.5 62.3 -52.2 -38.5 18.6 22.5 15.7 111 111 A S T >> S+ 0 0 3 1,-0.3 4,-2.1 -3,-0.2 3,-0.8 0.624 77.1 86.3 -67.1 -10.9 18.3 19.6 18.3 112 112 A Y H <> S+ 0 0 3 -3,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.851 87.9 54.7 -58.7 -27.2 17.2 17.1 15.5 113 113 A L H <>>S+ 0 0 2 -3,-1.5 5,-1.9 -4,-0.3 4,-0.6 0.808 105.4 51.8 -78.9 -21.4 21.0 16.5 15.0 114 114 A Q H <45S+ 0 0 18 -3,-0.8 3,-0.2 -4,-0.4 -2,-0.2 0.865 104.2 56.9 -76.3 -35.6 21.4 15.7 18.7 115 115 A Y H <5S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.901 112.8 40.9 -62.3 -38.0 18.5 13.2 18.4 116 116 A G H <5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.613 107.9-134.7 -82.2 -14.2 20.5 11.5 15.6 117 117 A H T <5 - 0 0 52 -4,-0.6 32,-2.8 -3,-0.2 33,-0.4 0.840 29.6-174.3 64.4 39.2 23.7 12.0 17.7 118 118 A I B > < -S 148 0G 2 -5,-1.9 3,-1.8 30,-0.3 4,-0.3 -0.331 40.7 -86.4 -61.0 139.6 25.9 13.2 14.8 119 119 A A T 3 S+ 0 0 18 28,-2.9 16,-2.3 16,-0.3 -1,-0.1 -0.259 107.2 5.1 -54.6 131.5 29.5 13.6 15.9 120 120 A N T 3> S+ 0 0 60 14,-0.2 4,-1.8 -3,-0.1 -1,-0.3 0.374 84.9 127.6 78.3 0.3 30.3 17.0 17.5 121 121 A I H <> + 0 0 6 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.893 68.4 56.6 -58.1 -40.4 26.8 18.4 17.5 122 122 A D H > S+ 0 0 92 -4,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.897 110.3 43.8 -59.2 -43.5 26.7 19.3 21.2 123 123 A D H 4>S+ 0 0 49 -3,-0.2 5,-1.5 2,-0.2 6,-1.4 0.824 113.2 52.0 -68.1 -37.6 29.8 21.5 20.9 124 124 A I H ><5S+ 0 0 1 -4,-1.8 3,-1.2 4,-0.2 -2,-0.2 0.912 110.0 47.8 -65.7 -44.6 28.6 23.1 17.7 125 125 A I H 3<5S+ 0 0 56 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.775 110.8 53.6 -65.3 -29.7 25.3 24.0 19.3 126 126 A A T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.418 114.1-115.5 -85.7 -1.5 27.1 25.4 22.3 127 127 A G T < 5S+ 0 0 60 -3,-1.2 -3,-0.2 2,-0.3 -2,-0.1 0.431 87.1 113.7 82.8 0.3 29.3 27.7 20.2 128 128 A K S - 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0 0 10 1,-0.1 4,-2.3 -140,-0.1 5,-0.2 -0.776 64.3-125.1 177.2 141.9 -9.4 27.2 15.6 369 369 A D H > S+ 0 0 32 -142,-0.4 4,-2.6 -2,-0.2 5,-0.3 0.892 112.4 49.5 -64.4 -47.6 -13.0 26.1 16.2 370 370 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.973 113.3 43.3 -57.1 -53.1 -11.8 22.8 17.7 371 371 A H H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.893 115.0 50.0 -65.5 -38.8 -9.3 24.3 20.1 372 372 A K H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.957 111.1 47.8 -61.7 -51.5 -11.6 27.1 21.2 373 373 A K H X S+ 0 0 74 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.937 116.7 45.4 -55.3 -47.6 -14.6 24.7 21.9 374 374 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.917 110.3 51.9 -59.9 -43.0 -12.2 22.4 23.8 375 375 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.861 109.9 50.3 -66.3 -36.7 -10.6 25.2 25.8 376 376 A I H X S+ 0 0 78 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.947 112.4 47.0 -63.6 -45.7 -14.0 26.5 26.9 377 377 A A H X S+ 0 0 17 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.926 113.7 48.3 -62.3 -39.6 -15.0 23.0 28.0 378 378 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.885 108.1 53.2 -72.7 -36.3 -11.7 22.6 29.9 379 379 A A H X S+ 0 0 17 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.860 111.8 46.9 -64.4 -36.6 -12.0 25.9 31.6 380 380 A S H X S+ 0 0 68 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.926 111.1 50.5 -67.4 -49.9 -15.4 25.0 32.9 381 381 A I H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.904 114.9 43.9 -54.8 -47.1 -14.3 21.5 34.1 382 382 A W H X>S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 6,-1.1 0.838 113.5 50.8 -67.8 -38.3 -11.4 23.1 36.0 383 383 A K H X5S+ 0 0 105 -4,-1.7 4,-2.9 4,-0.2 -2,-0.2 0.989 117.0 40.6 -61.8 -50.8 -13.6 25.9 37.4 384 384 A K H <5S+ 0 0 166 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.829 123.1 38.0 -68.6 -37.3 -16.2 23.3 38.6 385 385 A N H <5S+ 0 0 13 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.672 136.6 15.8 -88.7 -23.4 -13.7 20.7 39.8 386 386 A L H <5S- 0 0 21 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.506 90.9-121.2-127.4 -9.3 -11.1 23.1 41.3 387 387 A G << + 0 0 36 -4,-2.9 2,-0.3 -5,-0.5 -4,-0.2 0.860 61.0 152.9 69.3 33.3 -12.7 26.5 41.6 388 388 A V - 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