==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-AUG-07 2VAC . COMPND 2 MOLECULE: TWINFILIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.ELKINS,A.C.W.PIKE,O.KING,E.SALAH,P.SAVITSKY,F.VON DELFT, . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 17.9 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 . 2 1.5 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 . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 1 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 135 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 16.2 2.9 12.8 2 0 A M + 0 0 198 2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.801 360.0 90.8 -66.6 -31.9 18.8 0.1 13.0 3 6 A G S S- 0 0 42 1,-0.1 2,-0.2 97,-0.0 98,-0.0 -0.199 92.4 -88.1 -64.2 159.6 19.6 0.7 16.7 4 7 A I - 0 0 22 93,-0.1 2,-0.3 29,-0.1 29,-0.2 -0.498 48.8-156.8 -68.0 131.4 17.8 -1.1 19.5 5 8 A H E -a 33 0A 86 27,-0.6 29,-2.8 -2,-0.2 2,-0.3 -0.797 19.7-109.6-110.8 154.1 14.7 0.8 20.7 6 9 A A E -a 34 0A 4 -2,-0.3 29,-0.2 27,-0.2 23,-0.0 -0.640 40.9-118.2 -73.7 134.8 12.7 0.9 24.0 7 10 A T > - 0 0 18 27,-2.1 4,-2.2 -2,-0.3 5,-0.2 -0.319 22.6-112.1 -64.2 159.5 9.3 -0.8 23.5 8 11 A E H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 119.6 57.4 -64.0 -32.2 6.3 1.4 24.0 9 12 A E H > S+ 0 0 147 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 106.8 46.9 -63.8 -44.1 5.5 -0.7 27.2 10 13 A L H > S+ 0 0 3 24,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.931 112.0 50.5 -62.9 -46.0 8.9 0.1 28.7 11 14 A K H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 111.2 49.3 -56.1 -43.8 8.5 3.8 27.8 12 15 A E H X S+ 0 0 140 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 109.8 51.3 -62.3 -42.3 5.1 3.7 29.5 13 16 A F H X S+ 0 0 29 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.900 104.2 57.2 -62.7 -41.7 6.6 2.0 32.6 14 17 A F H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.941 108.2 47.6 -48.5 -52.9 9.3 4.8 32.7 15 18 A A H X S+ 0 0 43 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.870 112.0 49.6 -59.3 -40.6 6.4 7.3 33.0 16 19 A K H >X S+ 0 0 135 -4,-2.0 3,-1.0 1,-0.2 4,-0.9 0.943 109.5 52.0 -61.8 -46.8 4.8 5.2 35.7 17 20 A A H >< S+ 0 0 0 -4,-3.2 3,-0.8 1,-0.3 5,-0.5 0.883 106.1 53.5 -59.3 -40.5 8.1 4.9 37.7 18 21 A R H 3< S+ 0 0 79 -4,-2.2 60,-0.5 1,-0.2 -1,-0.3 0.704 101.3 60.5 -70.9 -19.9 8.5 8.7 37.6 19 22 A A H << S- 0 0 88 -3,-1.0 -1,-0.2 -4,-0.8 2,-0.2 0.782 118.8-104.3 -72.8 -27.9 5.0 9.1 39.2 20 23 A G S << S+ 0 0 11 -4,-0.9 -1,-0.3 -3,-0.8 3,-0.1 -0.796 90.4 92.1 132.3 179.5 6.2 7.1 42.2 21 24 A S S S+ 0 0 84 -2,-0.2 2,-0.4 -3,-0.1 -4,-0.1 0.548 73.7 102.1 68.6 12.0 6.0 3.7 43.8 22 25 A V + 0 0 8 -5,-0.5 19,-0.3 19,-0.2 -1,-0.1 -0.962 34.8 168.8-130.7 120.1 9.2 2.5 42.0 23 26 A R S S+ 0 0 2 17,-2.6 46,-3.3 -2,-0.4 2,-0.3 0.807 72.9 23.6 -88.7 -38.9 12.6 2.2 43.6 24 27 A L E -BC 40 68A 0 16,-1.7 16,-1.8 44,-0.2 2,-0.4 -0.997 53.5-171.6-140.5 136.7 14.4 0.2 40.9 25 28 A I E -BC 39 67A 0 42,-2.2 42,-2.9 -2,-0.3 2,-0.6 -1.000 11.2-159.8-123.6 125.1 13.9 -0.5 37.2 26 29 A K E -BC 38 66A 34 12,-2.8 11,-2.9 -2,-0.4 12,-1.4 -0.961 10.2-164.2-105.3 121.7 16.1 -3.2 35.5 27 30 A V E +BC 36 65A 1 38,-2.6 38,-1.9 -2,-0.6 2,-0.3 -0.883 12.9 171.1-108.7 133.8 16.3 -2.7 31.7 28 31 A V E -B 35 0A 29 7,-2.2 7,-2.9 -2,-0.4 2,-0.6 -0.879 34.3-111.3-135.4 165.6 17.5 -5.6 29.5 29 32 A I E +B 34 0A 26 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.912 36.7 172.8-104.8 124.1 17.7 -6.3 25.8 30 33 A E E > -B 33 0A 115 3,-2.8 3,-1.0 -2,-0.6 -2,-0.0 -0.997 67.8 -14.1-133.2 126.0 15.4 -9.1 24.6 31 34 A D T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.908 129.0 -51.3 46.6 50.8 14.9 -9.9 20.9 32 35 A E T 3 S+ 0 0 161 1,-0.2 -27,-0.6 -3,-0.1 2,-0.3 0.751 120.2 101.1 59.5 32.5 16.5 -6.7 19.7 33 36 A Q E < S-aB 5 30A 97 -3,-1.0 -3,-2.8 -29,-0.2 2,-0.5 -0.983 74.7-118.8-138.0 149.2 14.4 -4.5 22.0 34 37 A L E +aB 6 29A 0 -29,-2.8 -27,-2.1 -2,-0.3 -24,-0.3 -0.802 48.3 166.4 -83.9 124.4 14.9 -2.7 25.3 35 38 A V E - B 0 28A 16 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.6 -0.852 43.0 -85.4-135.5 168.2 12.4 -4.2 27.8 36 39 A L E + B 0 27A 67 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.703 37.3 173.6 -79.3 115.0 11.6 -4.3 31.5 37 40 A G E - 0 0 45 -11,-2.9 2,-0.3 -2,-0.6 -10,-0.2 0.763 66.6 -18.1 -82.9 -38.0 13.5 -7.1 33.2 38 41 A A E - B 0 26A 26 -12,-1.4 -12,-2.8 2,-0.0 -1,-0.3 -0.983 53.8-167.4-164.6 158.2 12.5 -6.3 36.8 39 42 A S E - B 0 25A 58 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.977 5.8-167.0-151.3 155.7 11.1 -3.6 39.0 40 43 A Q E - B 0 24A 70 -16,-1.8 -17,-2.6 -2,-0.3 -16,-1.7 -0.996 17.9-127.2-144.6 143.8 10.8 -3.0 42.8 41 44 A E - 0 0 146 -2,-0.3 -19,-0.2 -19,-0.3 2,-0.0 -0.466 39.8 -92.8 -82.0 157.8 8.9 -0.7 45.1 42 45 A P + 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.381 38.6 176.4 -64.8 150.1 10.6 1.4 47.8 43 46 A V - 0 0 135 1,-0.3 2,-0.1 2,-0.2 3,-0.1 0.660 66.1 -18.0-117.8 -58.8 10.7 -0.1 51.3 44 47 A G S S- 0 0 31 1,-0.4 -1,-0.3 2,-0.0 2,-0.0 -0.234 106.7 -28.1-122.3-145.4 12.7 2.4 53.4 45 48 A R > - 0 0 127 -2,-0.1 4,-2.6 -3,-0.1 -1,-0.4 -0.303 65.5-103.6 -70.1 161.1 15.0 5.2 52.5 46 49 A W H > S+ 0 0 60 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.854 123.5 47.8 -52.3 -41.0 17.0 5.1 49.2 47 50 A D H 4 S+ 0 0 48 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.887 111.6 49.2 -72.1 -35.5 20.2 4.2 51.2 48 51 A Q H 4 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.1 -2,-0.2 0.881 115.1 44.6 -67.7 -38.7 18.4 1.4 53.2 49 52 A D H X S+ 0 0 6 -4,-2.6 4,-1.7 1,-0.1 5,-0.2 0.642 93.2 91.3 -74.6 -17.7 16.9 -0.1 50.0 50 53 A Y H X S+ 0 0 0 -4,-0.8 4,-3.1 -3,-0.3 3,-0.3 0.899 87.8 30.2 -59.4 -66.0 20.2 0.1 47.9 51 54 A D H > S+ 0 0 66 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.881 119.5 52.8 -65.0 -40.1 22.2 -3.1 48.2 52 55 A R H 4 S+ 0 0 190 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 117.7 39.9 -68.3 -26.7 19.2 -5.4 48.8 53 56 A A H < S+ 0 0 1 -4,-1.7 4,-0.3 -3,-0.3 -2,-0.2 0.925 124.7 33.1 -79.9 -52.8 17.6 -4.0 45.6 54 57 A V H >< S+ 0 0 0 -4,-3.1 3,-1.3 -5,-0.2 4,-0.3 0.938 109.9 55.1 -75.3 -54.9 20.7 -3.7 43.3 55 58 A L G >< S+ 0 0 49 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.1 0.844 103.1 52.5 -61.9 -42.7 23.1 -6.5 44.1 56 59 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.675 104.9 58.8 -64.4 -18.8 20.9 -9.6 43.7 57 60 A L G < S+ 0 0 34 -3,-1.3 2,-0.7 -4,-0.3 -2,-0.2 0.414 82.4 99.7 -89.6 -0.8 19.8 -8.4 40.1 58 61 A L < - 0 0 14 -3,-1.4 2,-0.3 -4,-0.3 65,-0.1 -0.805 62.6-152.0 -94.8 110.5 23.5 -8.4 38.8 59 62 A D > - 0 0 67 -2,-0.7 3,-0.8 3,-0.4 -2,-0.1 -0.622 15.5-133.8 -82.1 135.8 24.3 -11.5 36.7 60 63 A A T 3 S+ 0 0 67 -2,-0.3 29,-0.4 1,-0.2 30,-0.1 0.695 103.9 27.1 -60.5 -19.0 28.0 -12.6 36.6 61 64 A Q T 3 S+ 0 0 120 28,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.198 109.4 69.8-138.8 21.2 27.8 -13.0 32.8 62 65 A Q < - 0 0 92 -3,-0.8 -3,-0.4 28,-0.2 -1,-0.1 -0.992 67.5-133.9-135.5 133.9 25.2 -10.7 31.5 63 66 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.360 32.3 162.9 -67.5 160.9 25.2 -6.9 31.2 64 67 A C E - D 0 85A 3 21,-1.7 21,-2.7 -36,-0.1 2,-0.4 -0.942 31.5-122.6-158.7 178.8 22.2 -4.8 32.3 65 68 A Y E -CD 27 84A 5 -38,-1.9 -38,-2.6 -2,-0.3 2,-0.4 -0.991 19.4-162.8-124.6 142.0 21.1 -1.3 33.2 66 69 A L E -CD 26 83A 1 17,-2.5 17,-3.2 -2,-0.4 2,-0.6 -0.985 9.9-157.3-122.4 134.8 19.5 -0.3 36.4 67 70 A L E -CD 25 82A 0 -42,-2.9 -42,-2.2 -2,-0.4 2,-0.5 -0.977 21.3-169.1-102.8 115.1 17.6 3.0 37.1 68 71 A Y E -CD 24 81A 0 13,-2.8 13,-3.0 -2,-0.6 2,-0.4 -0.945 13.9-133.5-115.6 122.3 17.7 3.4 40.9 69 72 A R E - D 0 80A 23 -46,-3.3 11,-0.2 -2,-0.5 2,-0.1 -0.602 11.7-156.1 -85.8 130.3 15.6 6.1 42.5 70 73 A L E - 0 0 5 9,-2.9 -1,-0.0 -2,-0.4 11,-0.0 -0.234 26.9-119.3 -76.5 178.5 17.0 8.5 45.1 71 74 A D E S+ 0 0 60 7,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.543 86.5 91.9 -93.8 -15.0 14.5 10.1 47.7 72 75 A S E - 0 0 46 7,-0.1 7,-2.2 6,-0.0 2,-0.4 -0.412 61.8-153.2 -77.5 156.3 15.4 13.6 46.5 73 76 A Q E - D 0 78A 127 5,-0.3 5,-0.3 -2,-0.1 2,-0.1 -0.996 2.8-159.0-128.8 135.6 13.5 15.5 43.8 74 77 A N E > - D 0 77A 53 3,-2.6 3,-1.6 -2,-0.4 39,-0.0 -0.303 52.7 -78.4 -89.5-170.4 14.7 18.2 41.4 75 78 A A T 3 S+ 0 0 113 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.493 133.0 49.5 -75.3 -0.6 12.2 20.6 39.7 76 79 A Q T 3 S- 0 0 117 1,-0.4 -1,-0.3 36,-0.2 2,-0.2 0.012 121.5 -90.5-122.8 28.2 11.4 17.9 37.1 77 80 A G E < S+D 74 0A 23 -3,-1.6 -3,-2.6 2,-0.0 -1,-0.4 -0.569 76.3 2.8 114.2-163.1 10.7 15.1 39.6 78 81 A F E -D 73 0A 36 -60,-0.5 2,-0.4 -5,-0.3 -5,-0.3 -0.292 67.5-124.9 -57.1 144.3 12.4 12.3 41.4 79 82 A E E - 0 0 33 -7,-2.2 -9,-2.9 35,-0.1 2,-0.3 -0.758 28.0-164.0 -92.9 141.6 16.2 12.0 40.8 80 83 A W E -De 69 114A 0 33,-2.4 35,-2.6 -2,-0.4 36,-1.3 -0.863 18.6-134.5-125.1 151.5 17.6 8.7 39.6 81 84 A L E -De 68 116A 0 -13,-3.0 -13,-2.8 -2,-0.3 2,-0.7 -0.910 17.8-147.3 -98.0 139.0 21.0 7.0 39.3 82 85 A F E -De 67 117A 0 34,-2.7 36,-2.1 -2,-0.4 2,-0.5 -0.925 18.1-168.3-108.7 105.7 21.7 5.3 36.0 83 86 A L E -De 66 118A 0 -17,-3.2 -17,-2.5 -2,-0.7 2,-0.6 -0.884 6.7-159.8-101.8 120.8 23.9 2.2 36.7 84 87 A A E -De 65 119A 10 34,-3.0 36,-2.3 -2,-0.5 2,-0.5 -0.890 8.0-165.3-102.0 120.4 25.5 0.4 33.8 85 88 A W E +De 64 120A 9 -21,-2.7 -21,-1.7 -2,-0.6 36,-0.2 -0.916 21.3 154.6-110.0 127.5 26.6 -3.2 34.5 86 89 A S - 0 0 22 34,-2.4 2,-0.1 -2,-0.5 -26,-0.1 -0.607 22.4-162.7-150.5 82.4 29.0 -5.1 32.2 87 90 A P > - 0 0 6 0, 0.0 3,-2.0 0, 0.0 35,-0.1 -0.404 27.2-122.7 -71.8 149.0 30.9 -7.9 33.9 88 91 A D T 3 S+ 0 0 113 33,-0.5 7,-0.1 1,-0.3 -27,-0.1 0.787 108.8 67.0 -60.6 -30.7 34.1 -9.1 32.0 89 92 A N T 3 S+ 0 0 129 -29,-0.4 -1,-0.3 32,-0.2 -28,-0.1 0.628 78.2 106.5 -66.7 -13.0 32.7 -12.7 31.9 90 93 A S S < S- 0 0 5 -3,-2.0 -28,-0.2 -30,-0.1 -29,-0.1 -0.373 88.0 -95.6 -62.7 143.4 29.9 -11.5 29.6 91 94 A P > - 0 0 66 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.349 33.5-119.6 -53.6 139.9 30.2 -12.6 26.0 92 95 A V H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 112.8 57.9 -54.3 -40.6 31.9 -9.9 23.9 93 96 A R H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 108.7 44.7 -57.6 -43.3 28.9 -9.6 21.6 94 97 A L H > S+ 0 0 48 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.934 110.3 55.3 -67.4 -43.6 26.6 -8.9 24.6 95 98 A K H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 112.3 42.5 -55.7 -45.6 29.1 -6.4 26.1 96 99 A M H X S+ 0 0 126 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.907 111.8 53.9 -72.1 -36.9 29.2 -4.4 22.8 97 100 A L H X S+ 0 0 57 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.939 114.5 41.6 -58.2 -49.3 25.4 -4.6 22.3 98 101 A Y H X S+ 0 0 9 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.881 115.3 50.3 -66.4 -40.4 24.8 -3.2 25.8 99 102 A A H >< S+ 0 0 68 -4,-2.3 3,-0.6 -5,-0.3 4,-0.4 0.940 111.9 48.6 -61.4 -46.2 27.7 -0.6 25.4 100 103 A A H 3< S+ 0 0 71 -4,-3.3 4,-0.2 1,-0.2 -1,-0.2 0.749 115.3 44.4 -63.5 -26.0 26.2 0.5 22.0 101 104 A T H 3X S+ 0 0 7 -4,-1.2 4,-1.7 -5,-0.2 3,-0.4 0.530 84.5 94.5-103.4 -9.9 22.7 0.9 23.5 102 105 A R H S+ 0 0 67 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.867 106.4 56.7 -58.2 -37.9 22.9 6.2 25.4 104 107 A T H > S+ 0 0 45 -3,-0.4 4,-2.7 -4,-0.2 5,-0.2 0.928 104.4 51.1 -60.5 -46.6 19.5 5.1 24.0 105 108 A V H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.948 113.5 45.5 -56.0 -50.2 18.3 4.0 27.5 106 109 A K H X S+ 0 0 56 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.932 112.8 50.1 -58.8 -48.8 19.3 7.3 29.0 107 110 A K H < S+ 0 0 168 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.914 112.8 46.5 -55.3 -48.4 17.7 9.3 26.2 108 111 A E H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.6 46.2 -66.4 -40.6 14.4 7.4 26.4 109 112 A F H < S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.909 122.5-103.9 -66.8 -41.1 14.2 7.7 30.2 110 113 A G >< - 0 0 20 -4,-2.7 3,-2.1 -5,-0.2 4,-0.2 0.488 15.5-136.4 111.2 103.7 15.1 11.5 30.1 111 114 A G G > S+ 0 0 34 1,-0.3 3,-1.6 -4,-0.2 -4,-0.1 0.770 100.8 70.1 -55.9 -30.1 18.7 12.6 31.1 112 115 A G G 3 S+ 0 0 38 1,-0.3 -1,-0.3 -33,-0.0 -36,-0.2 0.596 96.2 52.2 -64.0 -15.3 17.1 15.5 33.1 113 116 A H G < S+ 0 0 32 -3,-2.1 -33,-2.4 -34,-0.1 2,-0.6 0.383 91.2 91.3 -97.4 -1.4 15.9 13.0 35.7 114 117 A I E < -e 80 0A 20 -3,-1.6 -33,-0.2 -35,-0.2 3,-0.1 -0.882 47.6-179.3-105.7 115.0 19.3 11.3 36.1 115 118 A K E + 0 0 120 -35,-2.6 2,-0.3 -2,-0.6 -34,-0.2 0.831 69.7 2.6 -79.5 -36.5 21.4 12.8 38.9 116 119 A D E -e 81 0A 48 -36,-1.3 -34,-2.7 2,-0.0 2,-0.4 -0.987 56.1-144.7-156.6 160.1 24.3 10.5 38.3 117 120 A E E -e 82 0A 65 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.991 19.5-179.8-131.6 131.0 25.7 7.7 36.2 118 121 A L E -e 83 0A 12 -36,-2.1 -34,-3.0 -2,-0.4 2,-0.4 -0.929 10.7-154.7-133.1 156.6 27.9 4.8 37.4 119 122 A F E -e 84 0A 125 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.979 12.0-179.2-131.1 142.3 29.6 1.8 35.8 120 123 A G E +e 85 0A 0 -36,-2.3 -34,-2.4 -2,-0.4 3,-0.1 -1.000 27.3 176.0-141.0 148.1 30.6 -1.5 37.2 121 124 A T S S+ 0 0 40 -2,-0.3 -33,-0.5 1,-0.2 2,-0.3 0.489 86.5 43.0-114.1 -15.9 32.3 -4.7 36.1 122 125 A V S >> S- 0 0 77 -35,-0.1 3,-1.7 1,-0.1 4,-0.6 -0.957 91.3-115.8-125.6 147.0 32.4 -6.3 39.6 123 126 A K H >> S+ 0 0 69 -2,-0.3 3,-1.5 1,-0.3 4,-0.8 0.855 113.1 63.3 -53.8 -38.8 29.4 -6.1 42.0 124 127 A D H >4 S+ 0 0 113 1,-0.3 3,-0.7 2,-0.2 6,-0.5 0.839 93.3 64.5 -52.5 -36.4 31.4 -4.1 44.5 125 128 A D H <4 S+ 0 0 65 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.827 111.9 33.6 -56.3 -37.9 31.6 -1.3 41.9 126 129 A L H << S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.367 95.7 109.1-105.6 -0.4 27.8 -0.8 41.9 127 130 A S S S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 129.6 55.3 -53.3 -43.4 26.3 1.2 48.1 129 132 A A H > S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.902 108.2 49.0 -55.1 -44.7 30.0 1.3 49.1 130 133 A G H > S+ 0 0 15 -6,-0.5 4,-0.9 2,-0.2 3,-0.4 0.928 110.3 49.7 -59.0 -47.9 30.8 1.9 45.4 131 134 A Y H >< S+ 0 0 30 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.920 108.8 52.5 -60.7 -42.4 28.2 4.7 45.2 132 135 A Q H 3< S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 111.1 47.3 -65.7 -26.0 29.6 6.4 48.3 133 136 A K H 3< 0 0 188 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.586 360.0 360.0 -86.3 -14.5 33.2 6.3 46.8 134 137 A H << 0 0 136 -3,-0.9 -16,-0.0 -4,-0.9 -3,-0.0 -0.358 360.0 360.0 -65.0 360.0 32.0 7.7 43.4