==== 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 UNKNOWN FUNCTION 01-DEC-09 3KWL . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR R.LAM,C.M.THOMPSON,J.VODSEDALEK,K.LAM,V.ROMANOV,K.P.BATTAILE . 498 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.8 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 . 1 0.2 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 . 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 5 0 4 2 1 0 1 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 0 0 0 1 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 2 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 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 G 0 0 136 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.2 51.2 -7.6 6.2 2 -1 A S - 0 0 118 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.953 360.0 -92.0-133.8 154.4 47.9 -6.8 4.5 3 0 A H - 0 0 174 -2,-0.3 2,-0.7 1,-0.1 0, 0.0 -0.336 35.8-135.6 -62.6 137.1 45.9 -3.6 3.8 4 1 A X - 0 0 152 -2,-0.0 2,-0.9 2,-0.0 -1,-0.1 -0.885 6.9-146.6-100.6 111.7 43.4 -2.7 6.4 5 2 A S + 0 0 52 -2,-0.7 3,-0.0 1,-0.2 -2,-0.0 -0.698 31.4 164.2 -77.6 106.5 40.1 -1.7 5.0 6 3 A V + 0 0 81 -2,-0.9 2,-1.6 1,-0.1 -1,-0.2 0.561 45.8 88.8-107.4 -17.7 39.1 1.0 7.5 7 4 A L + 0 0 59 26,-0.2 26,-1.9 2,-0.0 2,-0.3 -0.630 62.0 130.3 -89.5 79.9 36.3 2.9 5.8 8 5 A K E -A 32 0A 107 -2,-1.6 2,-0.3 24,-0.2 24,-0.2 -0.982 36.8-162.9-136.6 143.0 33.4 0.7 7.0 9 6 A L E -A 31 0A 4 22,-2.8 22,-1.6 -2,-0.3 2,-0.6 -0.922 17.4-146.9-124.1 150.2 30.1 1.5 8.7 10 7 A H E -Ab 30 80A 34 69,-2.8 71,-2.9 -2,-0.3 2,-0.6 -0.959 27.5-176.0-109.1 108.9 27.5 -0.4 10.6 11 8 A V E -Ab 29 81A 2 18,-2.9 18,-2.7 -2,-0.6 2,-0.5 -0.932 12.4-163.2-109.5 118.7 24.2 1.2 9.7 12 9 A K E -Ab 28 82A 88 69,-2.9 71,-3.4 -2,-0.6 2,-0.5 -0.892 16.2-156.8 -96.2 129.3 21.0 0.0 11.4 13 10 A V E -Ab 27 83A 0 14,-2.2 14,-2.4 -2,-0.5 2,-0.3 -0.938 16.9-122.8-121.6 124.1 18.0 1.2 9.4 14 11 A F E -A 26 0A 7 69,-2.3 2,-0.5 -2,-0.5 12,-0.2 -0.512 29.6-165.7 -61.4 118.9 14.4 1.7 10.7 15 12 A R E +A 25 0A 45 10,-3.0 10,-2.1 -2,-0.3 2,-0.3 -0.974 29.4 123.2-116.6 122.4 12.2 -0.5 8.6 16 13 A F - 0 0 37 -2,-0.5 78,-2.8 8,-0.2 2,-0.4 -0.952 40.2-153.6-173.2 145.3 8.4 0.1 8.9 17 14 A E B > -F 93 0B 35 5,-0.4 3,-1.5 -2,-0.3 76,-0.2 -0.971 12.4-150.9-134.2 124.0 5.3 1.0 6.9 18 15 A T T 3 S+ 0 0 68 74,-2.4 75,-0.1 -2,-0.4 -1,-0.1 0.773 99.4 47.4 -62.8 -28.9 2.4 2.8 8.5 19 16 A N T 3 S+ 0 0 128 73,-0.4 -1,-0.3 2,-0.0 2,-0.2 0.411 104.3 76.1 -95.3 1.6 -0.2 1.3 6.3 20 17 A K S < S- 0 0 107 -3,-1.5 -3,-0.1 2,-0.1 0, 0.0 -0.732 79.9-126.7-110.2 163.8 1.2 -2.3 6.7 21 18 A D + 0 0 157 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.1 0.308 69.1 107.6 -97.6 9.4 0.9 -4.6 9.7 22 19 A Y S S- 0 0 80 -5,-0.2 -5,-0.4 1,-0.1 -2,-0.1 -0.659 71.3-113.9 -87.5 143.4 4.5 -5.6 10.5 23 20 A N - 0 0 138 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.344 42.5 -88.6 -65.8 153.6 6.1 -4.1 13.6 24 21 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.344 54.0 176.7 -59.0 143.6 9.0 -1.7 13.2 25 22 A A E -A 15 0A 57 -10,-2.1 -10,-3.0 -3,-0.1 2,-0.5 -0.979 26.2-125.4-145.5 154.6 12.4 -3.5 13.0 26 23 A Y E -A 14 0A 91 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.893 19.4-156.0-102.9 132.2 16.0 -2.4 12.5 27 24 A E E -A 13 0A 64 -14,-2.4 -14,-2.2 -2,-0.5 2,-0.4 -0.922 12.3-134.2-109.8 134.3 18.1 -3.9 9.7 28 25 A S E -A 12 0A 64 -2,-0.5 2,-0.4 -16,-0.2 -16,-0.2 -0.656 19.2-175.0 -87.1 131.8 21.9 -4.0 9.8 29 26 A Y E -A 11 0A 42 -18,-2.7 -18,-2.9 -2,-0.4 2,-0.7 -0.991 14.4-156.7-121.1 135.4 24.0 -3.1 6.9 30 27 A F E -A 10 0A 158 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.924 30.5-179.0-109.2 101.0 27.8 -3.4 6.9 31 28 A L E -A 9 0A 15 -22,-1.6 -22,-2.8 -2,-0.7 2,-0.4 -0.761 25.2-144.1-108.1 144.7 28.9 -0.9 4.3 32 29 A E E -A 8 0A 109 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.843 23.9-177.6 -98.4 145.2 32.2 0.2 2.8 33 30 A Y - 0 0 13 -26,-1.9 2,-0.3 -2,-0.4 -26,-0.2 -0.873 18.6-130.6-131.4 169.4 32.6 3.8 1.8 34 31 A Q > - 0 0 89 -2,-0.3 3,-2.0 1,-0.0 36,-0.2 -0.874 30.2-109.6-117.6 157.9 35.3 6.0 0.2 35 32 A E T 3 S+ 0 0 151 -2,-0.3 36,-0.3 1,-0.3 35,-0.1 0.729 116.4 55.0 -53.9 -26.2 36.7 9.3 1.3 36 33 A D T 3 S+ 0 0 104 33,-0.1 -1,-0.3 34,-0.1 2,-0.1 0.537 87.3 106.5 -85.8 -11.2 35.0 11.1 -1.6 37 34 A Q < - 0 0 29 -3,-2.0 33,-2.5 32,-0.1 34,-0.4 -0.305 52.9-148.4 -84.5 157.0 31.4 9.9 -1.0 38 35 A Y B >> -H 69 0C 100 31,-0.3 4,-1.0 32,-0.1 3,-1.0 -0.728 36.0 -98.1-112.7 166.3 28.4 11.7 0.4 39 36 A L H >> S+ 0 0 0 29,-2.3 4,-2.6 1,-0.3 3,-0.8 0.865 121.5 60.3 -50.3 -43.2 25.4 10.5 2.5 40 37 A L H 3> S+ 0 0 21 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.866 99.6 57.8 -58.9 -35.8 23.3 10.1 -0.7 41 38 A D H <4 S+ 0 0 59 -3,-1.0 4,-0.3 2,-0.2 -1,-0.3 0.844 109.5 43.9 -60.1 -37.3 25.8 7.6 -2.0 42 39 A L H X< S+ 0 0 4 -4,-1.0 3,-1.4 -3,-0.8 4,-0.5 0.884 110.2 54.0 -74.8 -40.1 25.4 5.4 1.1 43 40 A L H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.895 100.5 62.8 -61.4 -35.3 21.6 5.7 1.0 44 41 A K T 3< S+ 0 0 107 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.715 97.4 57.6 -60.5 -20.4 21.7 4.5 -2.6 45 42 A Q T < S+ 0 0 71 -3,-1.4 2,-1.4 -4,-0.3 -1,-0.3 0.636 82.5 95.5 -84.7 -14.0 23.2 1.2 -1.3 46 43 A L S X S- 0 0 7 -3,-1.7 3,-1.6 -4,-0.5 -1,-0.1 -0.593 73.6-145.3 -84.2 86.7 20.2 0.6 0.9 47 44 A K T 3 S- 0 0 156 -2,-1.4 3,-0.1 1,-0.2 -2,-0.1 -0.219 74.7 -1.9 -57.5 123.6 17.9 -1.7 -1.2 48 45 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.303 94.7 135.6 82.2 -8.9 14.2 -1.1 -0.8 49 46 A V < - 0 0 12 -3,-1.6 2,-0.5 -6,-0.2 -1,-0.2 -0.580 50.6-135.1 -80.3 129.2 14.5 1.6 1.8 50 47 A S + 0 0 30 -2,-0.3 45,-2.3 -3,-0.1 2,-0.3 -0.710 41.2 142.7 -86.0 126.9 12.4 4.7 1.5 51 48 A Y - 0 0 45 -2,-0.5 2,-0.4 44,-0.1 45,-0.1 -0.977 48.4-107.8-155.0 154.1 14.1 8.0 2.1 52 49 A S - 0 0 44 43,-0.3 4,-0.3 -2,-0.3 -2,-0.0 -0.707 14.3-142.5 -85.6 140.0 14.0 11.5 0.6 53 50 A E S S+ 0 0 113 -2,-0.4 2,-1.2 1,-0.1 -1,-0.1 0.706 96.6 77.4 -70.6 -21.2 16.8 12.7 -1.6 54 51 A N S S- 0 0 136 2,-0.1 -2,-0.2 12,-0.0 -1,-0.1 -0.793 105.9-119.8 -82.9 94.0 16.3 16.0 0.1 55 52 A I + 0 0 12 -2,-1.2 2,-0.1 -4,-0.1 -2,-0.1 -0.052 58.0 141.7 -50.4 122.7 18.1 14.9 3.2 56 53 A A + 0 0 20 -4,-0.3 30,-0.4 39,-0.1 2,-0.3 -0.603 32.9 99.4-163.0 92.1 15.8 15.0 6.3 57 54 A L E -C 64 0A 4 7,-1.8 7,-3.3 28,-0.2 2,-0.4 -0.880 63.6 -94.2-160.4-179.6 16.3 12.2 8.8 58 55 A K E -CD 63 84A 22 26,-2.8 26,-2.3 -2,-0.3 2,-0.5 -0.948 18.3-166.9-118.1 141.5 18.0 11.2 12.0 59 56 A I E > S-CD 62 83A 0 3,-2.3 3,-1.9 -2,-0.4 24,-0.2 -0.999 88.3 -12.9-119.1 123.9 21.4 9.6 12.6 60 57 A N T 3 S- 0 0 50 22,-2.4 -1,-0.1 -2,-0.5 23,-0.1 0.881 129.6 -58.6 47.5 42.8 21.7 8.4 16.3 61 58 A Q T 3 S+ 0 0 69 21,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.665 112.2 121.1 61.7 22.0 18.7 10.5 17.1 62 59 A I E < -C 59 0A 12 -3,-1.9 -3,-2.3 123,-0.0 123,-0.2 -0.967 68.5-116.8-110.2 130.2 20.3 13.7 15.8 63 60 A A E -Ce 58 185A 0 121,-2.4 123,-3.0 -2,-0.5 2,-0.4 -0.473 30.0-166.8 -70.5 132.4 18.4 15.5 13.0 64 61 A V E +C 57 0A 0 -7,-3.3 -7,-1.8 -2,-0.2 123,-0.0 -0.986 17.2 170.8-124.6 126.7 20.4 15.8 9.7 65 62 A F + 0 0 58 -2,-0.4 2,-0.3 -9,-0.2 -1,-0.1 0.168 55.1 69.8-122.6 17.1 19.3 18.1 6.9 66 63 A E S S- 0 0 78 -12,-0.1 2,-1.7 2,-0.0 -27,-0.1 -0.973 78.9-117.8-138.3 152.7 22.3 17.9 4.4 67 64 A D - 0 0 63 -2,-0.3 2,-0.1 -28,-0.1 3,-0.1 -0.661 54.3-178.9 -80.2 79.8 24.0 15.6 2.0 68 65 A A - 0 0 2 -2,-1.7 -29,-2.3 1,-0.1 -28,-0.1 -0.408 35.2 -87.6 -85.1 159.0 27.2 15.7 4.0 69 66 A K B > -H 38 0C 91 -31,-0.2 4,-2.1 1,-0.1 -31,-0.3 -0.394 34.3-129.3 -59.7 138.2 30.5 13.9 3.3 70 67 A V H > S+ 0 0 0 -33,-2.5 4,-2.8 1,-0.2 5,-0.2 0.925 109.5 56.0 -59.2 -41.7 30.5 10.4 4.8 71 68 A S H > S+ 0 0 44 -34,-0.4 4,-1.9 -36,-0.3 -1,-0.2 0.857 107.6 49.1 -58.5 -36.7 33.9 11.2 6.4 72 69 A D H > S+ 0 0 85 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 110.9 49.1 -70.7 -39.6 32.4 14.3 8.1 73 70 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.896 109.6 52.2 -65.7 -39.5 29.4 12.3 9.4 74 71 A V H X S+ 0 0 21 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.913 106.6 53.6 -61.3 -44.8 31.7 9.6 10.8 75 72 A A H < S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.883 119.0 35.7 -55.6 -39.3 33.7 12.2 12.6 76 73 A F H < S+ 0 0 82 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.870 133.1 23.5 -82.8 -37.6 30.5 13.5 14.2 77 74 A F H < S- 0 0 14 -4,-3.3 3,-0.3 1,-0.3 -3,-0.2 0.462 98.8-123.6-112.1 -3.9 28.6 10.2 14.7 78 75 A S < - 0 0 60 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.1 -0.233 44.2 -69.9 75.1-175.2 31.2 7.4 14.8 79 76 A K S S+ 0 0 86 -70,-0.1 -69,-2.8 -2,-0.1 2,-0.6 0.406 116.5 81.5 -91.7 0.9 31.2 4.4 12.4 80 77 A E E +b 10 0A 134 -3,-0.3 2,-0.4 -71,-0.2 -69,-0.2 -0.935 64.1 178.8-110.0 112.0 28.0 3.0 14.1 81 78 A W E -b 11 0A 4 -71,-2.9 -69,-2.9 -2,-0.6 2,-0.5 -0.933 25.2-160.5-118.6 137.6 24.8 4.7 12.8 82 79 A V E -b 12 0A 46 -2,-0.4 -22,-2.4 -71,-0.2 2,-0.6 -0.984 20.3-155.3-107.8 118.7 21.1 4.2 13.6 83 80 A L E +bD 13 59A 2 -71,-3.4 -69,-2.3 -2,-0.5 -24,-0.2 -0.876 22.1 166.6 -97.8 121.1 19.1 5.8 10.7 84 81 A D E - D 0 58A 3 -26,-2.3 -26,-2.8 -2,-0.6 11,-0.1 -0.874 38.9-103.8-126.0 158.8 15.6 6.9 11.7 85 82 A P - 0 0 2 0, 0.0 3,-0.2 0, 0.0 -28,-0.2 -0.316 45.7-102.7 -65.6 166.6 12.8 9.0 10.2 86 83 A L S S+ 0 0 7 -30,-0.4 2,-0.3 9,-0.4 -29,-0.1 0.775 109.8 20.1 -63.2 -26.3 12.4 12.4 11.7 87 84 A S - 0 0 14 1,-0.1 -1,-0.2 3,-0.1 45,-0.0 -0.967 56.3-164.9-146.8 125.1 9.4 11.1 13.6 88 85 A K S > S+ 0 0 97 -2,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.902 96.1 56.6 -71.7 -39.0 8.5 7.5 14.4 89 86 A R T 3 S+ 0 0 201 1,-0.3 -1,-0.1 8,-0.0 -2,-0.0 0.923 118.4 32.6 -57.7 -45.7 4.9 8.5 15.3 90 87 A Y T 3 S+ 0 0 43 7,-0.0 8,-3.6 11,-0.0 -1,-0.3 0.098 86.8 143.0-102.1 24.7 4.5 10.1 11.9 91 88 A A E < - G 0 97B 0 -3,-1.5 6,-0.3 6,-0.3 3,-0.1 -0.406 25.9-177.3 -60.5 132.1 6.7 7.6 10.0 92 89 A L E S- 0 0 72 4,-3.2 -74,-2.4 1,-0.3 -73,-0.4 0.858 70.8 -18.6 -93.1 -60.7 5.2 6.9 6.5 93 90 A K E > S-FG 17 96B 49 3,-1.1 3,-2.7 -76,-0.2 -1,-0.3 -0.948 106.0 -52.2-147.5 130.3 7.7 4.3 5.3 94 91 A D T 3 S+ 0 0 0 -78,-2.8 -43,-0.1 -2,-0.3 -79,-0.1 -0.179 128.2 0.8 47.2-110.6 11.3 3.6 6.7 95 92 A L T 3 S+ 0 0 4 -45,-2.3 2,-0.4 -11,-0.1 -9,-0.4 0.324 116.7 88.7 -93.7 7.3 13.1 7.0 6.7 96 93 A X E < -G 93 0B 63 -3,-2.7 -4,-3.2 -46,-0.2 -3,-1.1 -0.846 64.6-142.6-107.7 143.0 10.2 9.1 5.4 97 94 A I E -G 91 0B 20 -2,-0.4 2,-1.2 -6,-0.3 -6,-0.3 -0.607 22.6-112.6 -99.8 163.2 7.5 10.8 7.4 98 95 A D > - 0 0 41 -8,-3.6 4,-1.6 -2,-0.2 3,-0.4 -0.770 32.5-178.5 -94.9 87.1 3.8 11.3 6.6 99 96 A E H > S+ 0 0 80 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.880 79.1 59.2 -57.0 -39.1 3.6 15.1 6.2 100 97 A K H > S+ 0 0 162 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.884 104.5 49.3 -56.0 -42.7 -0.2 14.9 5.5 101 98 A A H 4 S+ 0 0 17 -3,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.882 111.1 49.5 -67.9 -36.9 -0.8 13.3 8.9 102 99 A V H >< S+ 0 0 1 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.960 107.0 55.6 -64.2 -49.3 1.3 16.0 10.7 103 100 A L H >< S+ 0 0 41 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.728 90.5 73.5 -58.3 -26.8 -0.6 18.8 8.8 104 101 A K G >< S+ 0 0 121 -4,-1.1 3,-1.2 1,-0.3 4,-0.3 0.769 83.9 69.8 -58.6 -25.1 -3.9 17.5 10.2 105 102 A N G < S+ 0 0 94 -3,-2.1 -1,-0.3 -4,-0.4 4,-0.2 0.672 98.0 50.9 -64.5 -15.8 -2.9 18.9 13.6 106 103 A Y G <> S+ 0 0 12 -3,-2.0 4,-2.2 -4,-0.2 -1,-0.2 0.246 73.5 104.0-112.1 11.4 -3.3 22.5 12.2 107 104 A E H <> S+ 0 0 105 -3,-1.2 4,-1.4 1,-0.2 -1,-0.1 0.929 83.9 49.2 -59.0 -47.6 -6.8 22.3 10.6 108 105 A D H > S+ 0 0 128 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.874 109.5 53.4 -60.2 -40.4 -8.3 24.3 13.5 109 106 A F H >4 S+ 0 0 24 1,-0.2 3,-0.9 -4,-0.2 4,-0.5 0.917 106.8 51.1 -58.0 -47.2 -5.6 26.9 13.2 110 107 A F H >< S+ 0 0 23 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.782 102.2 60.1 -67.3 -25.7 -6.3 27.4 9.5 111 108 A K H 3< S+ 0 0 154 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.753 102.4 54.5 -70.8 -24.9 -10.0 27.9 10.1 112 109 A Q T << S+ 0 0 134 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.583 111.1 46.1 -79.4 -15.6 -9.0 30.9 12.3 113 110 A V X + 0 0 1 -3,-0.6 3,-1.7 -4,-0.5 -1,-0.2 -0.372 62.6 150.5-124.3 56.0 -7.0 32.4 9.4 114 111 A P T 3 + 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.582 63.5 73.9 -68.1 -7.0 -9.4 32.1 6.4 115 112 A Y T 3 S+ 0 0 78 -3,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.574 74.8 97.6 -82.6 -14.6 -7.9 35.2 4.8 116 113 A I S < S- 0 0 21 -3,-1.7 2,-0.0 -6,-0.2 -3,-0.0 -0.443 78.5-107.6 -76.5 153.8 -4.6 33.5 3.7 117 114 A T > - 0 0 75 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.305 25.3-112.0 -74.4 158.3 -4.0 32.2 0.2 118 115 A K H > S+ 0 0 159 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.904 121.4 53.7 -53.9 -40.1 -4.0 28.5 -0.7 119 116 A G H > S+ 0 0 40 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.926 107.6 48.1 -61.3 -48.6 -0.2 29.1 -1.4 120 117 A E H 4 S+ 0 0 11 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.896 110.7 51.4 -59.7 -44.2 0.4 30.6 2.0 121 118 A K H >< S+ 0 0 105 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.929 109.9 50.6 -55.7 -45.0 -1.4 27.7 3.6 122 119 A E H >< S+ 0 0 86 -4,-2.3 3,-1.6 1,-0.3 4,-0.3 0.711 92.3 76.4 -67.7 -25.1 0.8 25.2 1.6 123 120 A E G >< S+ 0 0 45 -4,-1.4 3,-1.4 -3,-0.3 4,-0.3 0.713 76.4 75.1 -61.0 -23.6 4.0 26.9 2.7 124 121 A L G X> S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.4 4,-1.8 0.827 83.6 68.6 -59.0 -29.5 3.7 25.3 6.2 125 122 A E G <4 S+ 0 0 87 -3,-1.6 4,-0.4 1,-0.3 -1,-0.3 0.785 94.8 55.2 -58.1 -30.6 4.8 22.0 4.4 126 123 A K G <4 S+ 0 0 148 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.541 115.2 38.5 -76.7 -12.9 8.2 23.6 3.9 127 124 A F T X4 S+ 0 0 36 -3,-1.9 3,-1.9 -4,-0.3 4,-0.3 0.647 91.6 85.8-107.2 -25.9 8.5 24.3 7.7 128 125 A I G >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.3 4,-0.3 0.763 77.1 66.0 -60.4 -33.2 7.0 21.2 9.3 129 126 A Q G > S+ 0 0 66 -4,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.773 90.7 68.8 -57.6 -27.5 10.1 19.0 9.3 130 127 A I G X> S+ 0 0 25 -3,-1.9 3,-1.5 1,-0.3 4,-0.6 0.773 82.1 73.9 -65.2 -25.9 11.6 21.5 11.8 131 128 A N G <4 S+ 0 0 21 -3,-1.8 13,-0.3 -4,-0.3 3,-0.3 0.800 91.6 58.0 -52.4 -31.3 9.1 20.3 14.4 132 129 A F G <4 S+ 0 0 27 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.390 84.9 73.8 -95.7 0.5 11.1 17.1 14.8 133 130 A I T <4 S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.1 -70,-0.2 0.930 79.0 88.3 -69.6 -46.5 14.4 18.5 15.8 134 131 A N < - 0 0 19 -4,-0.6 47,-0.1 -3,-0.3 46,-0.1 -0.290 62.9-160.4 -60.1 122.1 13.1 19.3 19.3 135 132 A P + 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.504 50.8 124.6 -81.0 -0.4 13.5 16.4 21.8 136 133 A Q - 0 0 35 43,-0.1 42,-0.0 1,-0.1 268,-0.0 -0.108 50.9-152.6 -59.5 157.4 10.8 17.8 24.1 137 134 A T + 0 0 78 279,-0.1 -1,-0.1 3,-0.0 3,-0.0 0.308 48.6 125.6-123.0 7.8 7.8 15.5 25.0 138 135 A N > - 0 0 19 1,-0.2 3,-1.4 2,-0.1 -2,-0.0 -0.581 47.3-156.0 -63.2 113.0 4.9 17.9 25.8 139 136 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 34,-0.0 0.721 90.1 59.8 -69.4 -18.2 2.2 16.6 23.4 140 137 A K T 3 S+ 0 0 133 32,-0.2 2,-0.1 -3,-0.0 -2,-0.1 0.585 76.3 120.2 -78.6 -11.0 0.4 20.0 23.5 141 138 A Y < - 0 0 24 -3,-1.4 33,-0.1 1,-0.1 32,-0.1 -0.346 62.0-143.1 -62.2 125.0 3.5 21.7 22.0 142 139 A L - 0 0 46 31,-2.4 4,-0.2 -2,-0.1 -1,-0.1 0.771 44.9-105.5 -67.7 -26.3 2.6 23.3 18.7 143 140 A G > - 0 0 4 30,-0.3 4,-2.1 3,-0.1 -12,-0.1 0.198 11.5-110.8 108.5 135.0 5.9 22.6 17.0 144 141 A D H > S+ 0 0 0 -13,-0.3 4,-1.9 2,-0.2 -13,-0.2 0.781 117.3 54.9 -67.7 -32.7 9.0 24.7 16.2 145 142 A G H > S+ 0 0 0 -17,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.939 109.5 48.8 -60.4 -47.3 8.3 24.5 12.4 146 143 A F H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.892 107.6 54.2 -60.6 -41.7 4.8 25.8 13.1 147 144 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.929 110.5 46.3 -57.3 -45.0 6.2 28.7 15.2 148 145 A L H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.782 109.8 54.3 -71.2 -28.5 8.5 29.8 12.4 149 146 A Y H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.897 108.0 48.8 -65.8 -46.4 5.6 29.5 9.8 150 147 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.880 109.7 53.4 -61.2 -37.8 3.5 31.8 12.0 151 148 A K H X S+ 0 0 22 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.928 107.2 51.5 -59.2 -46.6 6.5 34.1 12.1 152 149 A W H X S+ 0 0 57 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.917 111.5 46.8 -55.0 -45.8 6.6 34.0 8.3 153 150 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.851 104.9 60.6 -66.6 -37.5 2.8 34.9 8.2 154 151 A X H < S+ 0 0 10 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.883 105.7 48.0 -56.8 -43.6 3.3 37.8 10.8 155 152 A K H < S+ 0 0 177 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.9 47.1 -57.4 -45.6 5.7 39.5 8.3 156 153 A R H < S+ 0 0 133 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.688 118.9 39.4 -77.5 -21.0 3.3 39.0 5.4 157 154 A Y >X + 0 0 54 -4,-1.8 3,-1.5 1,-0.1 4,-0.7 -0.598 62.5 172.4-129.2 71.5 0.2 40.3 7.4 158 155 A P G >4 S+ 0 0 97 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.795 80.8 58.2 -48.1 -35.9 1.3 43.3 9.6 159 156 A T G 34 S+ 0 0 121 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.848 112.2 38.8 -61.7 -37.6 -2.4 43.9 10.5 160 157 A E G <> S+ 0 0 45 -3,-1.5 4,-3.3 1,-0.2 5,-0.3 0.349 83.2 110.1 -97.8 3.5 -2.8 40.4 11.9 161 158 A R H S+ 0 0 96 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.857 115.0 49.9 -73.8 -37.4 -0.7 40.5 17.1 163 160 A R H > S+ 0 0 140 -4,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.910 113.4 46.9 -64.7 -43.6 -3.6 38.1 16.5 164 161 A L H >X S+ 0 0 0 -4,-3.3 4,-0.9 1,-0.2 3,-0.5 0.947 110.8 52.2 -61.1 -49.3 -1.2 35.6 14.9 165 162 A L H >< S+ 0 0 0 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.877 104.5 56.9 -54.0 -41.4 1.2 36.0 17.8 166 163 A E H >< S+ 0 0 100 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.853 99.4 59.6 -61.5 -35.0 -1.6 35.3 20.3 167 164 A X H << S+ 0 0 55 -4,-1.3 3,-0.3 -3,-0.5 -1,-0.2 0.783 110.8 40.6 -66.1 -26.5 -2.2 32.0 18.7 168 165 A I T << S+ 0 0 0 -4,-0.9 7,-3.0 -3,-0.8 8,-0.3 0.134 102.7 77.0-102.7 20.2 1.4 30.9 19.4 169 166 A S < + 0 0 2 -3,-1.5 -2,-0.2 5,-0.2 -1,-0.1 0.469 56.0 125.1-107.8 -3.9 1.3 32.4 22.9 170 167 A Q >> - 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