==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-04 1V0W . COMPND 2 MOLECULE: PHOSPHOLIPASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR I.LEIROS,S.MCSWEENEY,E.HOUGH . 496 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 1 1 0 1 0 1 2 1 2 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 3 0 4 6 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 . 0 0 0 0 0 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 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 6 A S 0 0 112 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 10.2 21.8 44.4 2 7 A A + 0 0 96 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.614 360.0 44.2 -78.6 -12.4 8.9 25.1 43.2 3 8 A T > + 0 0 19 1,-0.1 4,-2.4 2,-0.1 -1,-0.2 -0.442 62.5 152.5-130.3 60.3 10.2 24.2 39.7 4 9 A P H > S+ 0 0 71 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.847 76.0 51.0 -61.8 -33.4 9.3 20.6 39.0 5 10 A H H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 113.8 41.5 -71.7 -50.6 9.2 21.1 35.2 6 11 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.863 110.3 59.6 -63.3 -33.9 12.6 22.8 34.9 7 12 A D H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.936 108.9 43.5 -60.6 -45.6 14.1 20.3 37.4 8 13 A A H X S+ 0 0 42 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.918 115.1 48.1 -64.9 -44.8 13.2 17.4 35.1 9 14 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.924 111.1 51.8 -61.3 -44.5 14.4 19.2 31.9 10 15 A E H X S+ 0 0 37 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.920 107.8 51.3 -59.7 -44.5 17.7 20.2 33.6 11 16 A Q H X S+ 0 0 149 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.912 110.7 49.7 -62.1 -40.5 18.4 16.6 34.7 12 17 A T H >X S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.947 110.1 49.7 -61.2 -48.4 17.8 15.4 31.1 13 18 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.832 105.9 55.9 -64.5 -33.0 20.1 18.1 29.6 14 19 A R H 3< S+ 0 0 97 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.749 112.5 43.5 -72.9 -21.9 22.9 17.2 32.0 15 20 A Q H << S+ 0 0 94 -4,-1.1 264,-0.4 -3,-0.7 265,-0.4 0.829 121.1 39.4 -81.4 -39.7 22.8 13.6 30.8 16 21 A V H < S+ 0 0 2 -4,-2.3 264,-0.3 1,-0.2 -2,-0.2 0.926 135.2 8.6 -75.6 -47.3 22.4 14.5 27.1 17 22 A S >< + 0 0 0 -4,-2.8 3,-1.4 -5,-0.2 4,-0.4 -0.378 65.4 151.7-138.3 56.3 24.8 17.4 26.7 18 23 A P G > S+ 0 0 39 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.861 76.9 56.7 -62.5 -33.3 27.0 18.0 29.8 19 24 A G G 3 S+ 0 0 22 1,-0.2 -5,-0.1 -3,-0.1 4,-0.1 0.645 104.1 53.8 -74.3 -11.4 29.8 19.5 27.9 20 25 A L G X>>S+ 0 0 5 -3,-1.4 4,-2.4 288,-0.1 5,-1.5 0.400 76.1 123.5-100.1 1.8 27.6 22.1 26.4 21 26 A E B <45S+a 25 0A 71 -3,-1.2 5,-0.2 -4,-0.4 -7,-0.0 -0.476 78.1 23.2 -66.5 129.2 26.2 23.4 29.7 22 27 A G T 345S+ 0 0 19 3,-3.1 -1,-0.2 -2,-0.2 189,-0.1 -0.229 130.1 44.1 106.9 -35.8 27.0 27.1 29.9 23 28 A D T <45S+ 0 0 72 -3,-1.4 192,-0.2 2,-0.2 -2,-0.2 0.866 125.2 17.1-111.6 -51.8 27.2 27.6 26.1 24 29 A V T <5S+ 0 0 3 -4,-2.4 241,-2.3 1,-0.3 2,-0.3 0.619 136.3 16.2-102.6 -18.5 24.4 25.8 24.2 25 30 A W E < +aB 21 264A 1 -5,-1.5 -3,-3.1 239,-0.2 -1,-0.3 -0.984 67.5 168.4-145.5 154.3 22.1 25.3 27.3 26 31 A E E - B 0 263A 42 237,-2.2 237,-2.7 -2,-0.3 2,-0.5 -0.899 26.1-141.3-164.4 132.9 22.1 26.9 30.7 27 32 A R E + B 0 262A 59 -2,-0.3 2,-0.3 235,-0.2 235,-0.2 -0.847 32.4 174.1 -93.0 130.3 19.7 27.1 33.7 28 33 A T E - B 0 261A 15 233,-2.8 233,-2.3 -2,-0.5 2,-0.2 -0.926 20.0-152.4-132.5 159.8 19.6 30.5 35.4 29 34 A S E + 0 0 90 -2,-0.3 230,-0.1 231,-0.2 176,-0.1 -0.692 68.5 55.3-114.9 169.7 17.7 32.2 38.1 30 35 A G E S+ 0 0 11 -2,-0.2 226,-2.8 1,-0.2 227,-1.5 0.682 71.2 139.3 84.1 19.1 17.0 35.9 38.6 31 36 A N E - B 0 259A 1 228,-1.8 228,-2.7 225,-0.2 2,-0.3 -0.359 35.7-151.2 -89.5 171.8 15.2 36.7 35.3 32 37 A K E -K 202 0B 88 170,-2.3 170,-2.2 225,-0.2 2,-0.5 -0.994 20.8-125.3-142.5 135.8 12.2 38.8 34.5 33 38 A L E -K 201 0B 17 -2,-0.3 2,-1.6 168,-0.2 168,-0.3 -0.750 38.2-131.7 -74.5 125.3 9.6 38.6 31.7 34 39 A D + 0 0 31 166,-2.3 2,-0.1 -2,-0.5 167,-0.1 -0.442 47.0 149.3 -96.1 68.1 10.0 42.2 30.4 35 40 A G - 0 0 16 -2,-1.6 2,-0.1 5,-0.3 6,-0.1 -0.376 46.2-100.1 -89.9 169.3 6.4 43.6 30.1 36 41 A S - 0 0 38 3,-0.9 6,-0.2 -2,-0.1 -1,-0.1 -0.381 27.1-114.1 -83.9 165.6 5.3 47.2 30.5 37 42 A A S S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.907 115.8 46.2 -66.6 -39.0 3.7 48.7 33.6 38 43 A A S S+ 0 0 98 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.802 129.2 20.7 -74.6 -29.5 0.3 49.2 31.8 39 44 A D > - 0 0 79 1,-0.1 3,-2.6 2,-0.0 -3,-0.9 -0.675 68.3-176.5-144.4 77.6 0.1 45.8 30.2 40 45 A P G > S+ 0 0 75 0, 0.0 3,-0.6 0, 0.0 -5,-0.3 0.634 80.5 62.7 -63.3 -16.9 2.4 43.3 32.1 41 46 A S G > S+ 0 0 12 1,-0.2 3,-2.1 2,-0.1 -7,-0.1 0.522 74.4 96.2 -79.0 -6.1 1.6 40.5 29.7 42 47 A D G < + 0 0 24 -3,-2.6 -1,-0.2 1,-0.3 -8,-0.1 0.359 56.2 86.1 -78.6 8.4 3.2 42.4 26.8 43 48 A W G < S+ 0 0 2 -3,-0.6 157,-1.6 -7,-0.1 2,-1.3 0.680 74.0 87.6 -55.7 -24.1 6.5 40.6 27.3 44 49 A L E < S-L 199 0B 8 -3,-2.1 2,-1.9 155,-0.2 155,-0.2 -0.691 72.1-164.3 -87.1 92.9 4.5 38.2 25.0 45 50 A L E +L 198 0B 1 153,-1.8 153,-1.7 -2,-1.3 2,-0.2 -0.475 21.6 165.2 -83.9 68.1 5.5 39.6 21.6 46 51 A Q E -L 197 0B 21 -2,-1.9 19,-0.3 151,-0.3 151,-0.2 -0.492 28.6-117.4 -80.0 151.6 2.8 38.0 19.5 47 52 A T E S+L 196 0B 3 149,-2.2 149,-2.4 -2,-0.2 13,-0.0 -0.988 81.4 2.4-138.2 142.8 2.1 39.2 16.0 48 53 A P S S- 0 0 5 0, 0.0 14,-1.8 0, 0.0 13,-1.3 -0.990 71.2-167.5 -79.8 -15.1 -0.2 40.4 14.5 49 54 A G + 0 0 7 12,-0.3 11,-1.2 11,-0.2 12,-0.7 0.989 40.3 131.5 60.3 61.1 -2.3 40.4 17.7 50 55 A a > - 0 0 10 9,-0.2 3,-1.6 10,-0.1 6,-0.3 -0.348 35.3-177.5-133.4 53.2 -5.6 41.2 15.9 51 56 A W T 3 + 0 0 68 1,-0.2 367,-0.2 5,-0.1 366,-0.1 -0.217 65.0 13.5 -57.6 138.4 -7.9 38.6 17.5 52 57 A G T 3 S+ 0 0 31 365,-2.8 2,-0.6 1,-0.1 -1,-0.2 0.267 101.7 102.7 85.0 -8.7 -11.5 38.4 16.2 53 58 A D X - 0 0 45 -3,-1.6 3,-1.4 364,-0.3 -1,-0.1 -0.912 49.9-167.6-118.1 107.9 -10.9 40.6 13.1 54 59 A D T 3 S+ 0 0 35 -2,-0.6 370,-2.5 1,-0.3 371,-0.4 0.597 94.5 52.2 -69.1 -8.5 -10.6 38.9 9.7 55 60 A K T 3 S- 0 0 140 368,-0.2 -1,-0.3 369,-0.1 368,-0.1 0.471 98.3-140.6 -99.7 -6.9 -9.3 42.3 8.3 56 61 A a < + 0 0 1 -3,-1.4 3,-0.2 -6,-0.3 -2,-0.1 0.888 41.4 158.9 49.5 47.7 -6.6 42.6 11.0 57 62 A A + 0 0 79 1,-0.2 2,-0.8 -7,-0.1 -1,-0.1 0.912 62.2 44.2 -66.5 -46.7 -7.2 46.4 11.4 58 63 A D - 0 0 99 -8,-0.0 2,-1.6 1,-0.0 -1,-0.2 -0.806 67.8-175.4-108.4 92.4 -5.7 47.0 14.8 59 64 A R > + 0 0 41 -2,-0.8 4,-2.3 -3,-0.2 -9,-0.2 -0.530 15.9 161.4 -91.9 72.6 -2.4 45.0 15.0 60 65 A V H > S+ 0 0 86 -2,-1.6 4,-1.8 -11,-1.2 -11,-0.2 0.817 73.6 55.0 -63.4 -31.5 -1.6 45.7 18.6 61 66 A G H > S+ 0 0 8 -13,-1.3 4,-2.5 -12,-0.7 -12,-0.3 0.961 108.5 45.0 -66.1 -53.6 0.9 42.8 18.6 62 67 A T H > S+ 0 0 12 -14,-1.8 4,-2.3 1,-0.2 5,-0.3 0.924 112.1 53.1 -55.3 -45.9 2.9 44.0 15.6 63 68 A K H X S+ 0 0 133 -4,-2.3 4,-2.3 -15,-0.3 -1,-0.2 0.925 111.5 45.3 -58.0 -46.0 3.0 47.5 17.0 64 69 A R H X S+ 0 0 43 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.891 110.8 54.4 -65.0 -40.9 4.4 46.3 20.4 65 70 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 -19,-0.3 -2,-0.2 0.942 112.5 41.5 -58.2 -51.1 6.9 44.0 18.7 66 71 A L H X S+ 0 0 32 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.907 115.5 50.1 -66.6 -41.7 8.5 46.7 16.6 67 72 A A H X S+ 0 0 59 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.900 110.4 51.0 -61.5 -42.4 8.4 49.3 19.5 68 73 A K H X S+ 0 0 7 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.878 106.6 54.0 -68.5 -35.9 10.1 46.8 21.8 69 74 A M H X S+ 0 0 14 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.947 113.5 42.7 -56.6 -49.1 12.9 46.0 19.3 70 75 A T H X S+ 0 0 29 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.910 113.3 52.3 -67.0 -42.0 13.6 49.7 19.1 71 76 A E H X S+ 0 0 92 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.942 112.2 44.6 -60.6 -49.0 13.3 50.2 22.8 72 77 A N H >< S+ 0 0 5 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.927 116.6 44.9 -65.2 -44.2 15.8 47.4 23.7 73 78 A I H >< S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.2 0.905 108.2 57.6 -66.2 -37.8 18.3 48.4 21.1 74 79 A G H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.701 102.3 57.1 -67.4 -18.4 18.1 52.1 22.0 75 80 A N T << S+ 0 0 86 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.367 81.5 123.4 -88.2 4.4 19.0 51.1 25.6 76 81 A A < + 0 0 0 -3,-2.0 33,-0.2 24,-0.2 4,-0.1 -0.399 28.2 168.3 -68.7 139.5 22.3 49.5 24.4 77 82 A T S S+ 0 0 63 2,-0.2 33,-0.5 -2,-0.1 -1,-0.1 0.507 79.8 2.3-118.1 -15.1 25.6 50.7 25.9 78 83 A R S S+ 0 0 79 1,-0.3 34,-2.4 31,-0.1 2,-0.4 0.632 116.9 21.5-135.3 -51.5 27.9 48.0 24.6 79 84 A T E -m 112 0B 1 32,-0.2 92,-2.1 2,-0.0 2,-0.4 -0.986 36.0-169.9-138.5 143.4 26.6 45.2 22.4 80 85 A V E -mN 113 170B 0 32,-2.2 34,-2.2 -2,-0.4 2,-0.5 -0.995 17.0-173.9-128.1 126.0 23.8 44.4 20.0 81 86 A D E +mN 114 169B 1 88,-2.5 88,-2.8 -2,-0.4 2,-0.4 -0.970 7.3 175.7-130.9 109.0 23.7 40.7 19.0 82 87 A I E +mN 115 168B 11 32,-2.9 34,-2.5 -2,-0.5 2,-0.3 -0.960 8.4 175.0-123.3 132.7 21.2 39.6 16.3 83 88 A S E +mN 116 167B 2 84,-2.3 84,-1.4 -2,-0.4 2,-0.3 -0.979 15.3 143.0-127.6 151.5 20.5 36.3 14.6 84 89 A T E -m 117 0B 2 32,-2.1 34,-1.4 -2,-0.3 2,-0.4 -0.939 49.9 -84.1-164.1-177.8 17.8 35.3 12.1 85 90 A L E -m 118 0B 27 -2,-0.3 97,-0.3 32,-0.2 34,-0.2 -0.885 69.5 -67.3-100.3 134.1 17.0 33.3 9.0 86 91 A A S S+ 0 0 29 32,-2.7 2,-0.2 -2,-0.4 34,-0.1 -0.257 101.6 73.6 -60.4 150.1 17.8 35.0 5.7 87 92 A P S S- 0 0 83 0, 0.0 95,-0.3 0, 0.0 3,-0.1 0.380 89.6-117.4 -66.7 156.5 16.8 37.3 4.2 88 93 A F - 0 0 13 -2,-0.2 6,-0.1 1,-0.2 29,-0.0 -0.190 52.2 -66.0 -55.0 153.7 18.3 39.9 6.4 89 94 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 94,-0.2 -0.134 66.2 172.5 -49.5 133.6 15.9 42.2 8.2 90 95 A N >> + 0 0 49 92,-1.6 3,-1.5 -3,-0.1 4,-1.2 -0.760 37.1 13.7-132.7-177.4 13.9 44.5 6.0 91 96 A G H 3> S- 0 0 25 1,-0.3 4,-2.3 -2,-0.2 3,-0.3 -0.128 127.0 -11.2 50.2-137.1 11.0 46.9 6.0 92 97 A A H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.697 133.7 63.0 -73.0 -18.0 9.9 48.1 9.4 93 98 A F H <> S+ 0 0 1 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.941 108.9 41.5 -65.4 -49.0 12.0 45.5 11.2 94 99 A Q H X S+ 0 0 4 -4,-1.2 4,-2.8 -3,-0.3 5,-0.2 0.912 112.3 55.5 -61.9 -41.4 15.1 47.1 9.7 95 100 A D H X S+ 0 0 91 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.893 107.3 50.5 -57.9 -40.1 13.6 50.5 10.4 96 101 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.886 110.7 47.8 -67.6 -41.3 13.3 49.5 14.1 97 102 A I H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.928 113.8 47.1 -63.7 -46.4 16.9 48.3 14.3 98 103 A V H X S+ 0 0 12 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.921 111.2 51.1 -62.3 -45.4 18.2 51.5 12.7 99 104 A A H X S+ 0 0 45 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.914 111.6 48.6 -59.7 -44.2 16.1 53.7 15.0 100 105 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.913 110.5 49.3 -60.7 -44.9 17.4 51.8 18.0 101 106 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 111.7 48.9 -63.8 -42.3 21.0 52.1 17.0 102 107 A K H X S+ 0 0 97 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.898 109.9 53.0 -61.3 -41.9 20.7 55.8 16.3 103 108 A E H X S+ 0 0 73 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.894 111.5 45.2 -60.9 -43.8 19.0 56.3 19.7 104 109 A S H <>S+ 0 0 0 -4,-2.2 5,-1.7 2,-0.2 3,-0.4 0.906 112.5 50.9 -66.1 -42.0 21.9 54.5 21.5 105 110 A A H ><5S+ 0 0 10 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.897 106.7 53.4 -65.4 -36.9 24.5 56.4 19.5 106 111 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 100.2 62.8 -71.9 -22.6 23.0 59.8 20.3 107 112 A K T 3<5S- 0 0 113 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.357 127.0-102.2 -79.0 3.1 23.1 58.8 24.0 108 113 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.372 72.6 145.2 96.9 3.5 26.9 58.7 23.6 109 114 A N < - 0 0 34 -5,-1.7 2,-0.5 -33,-0.2 -1,-0.3 -0.432 41.3-148.6 -85.7 145.8 27.5 54.9 23.3 110 115 A K - 0 0 155 -33,-0.5 2,-0.3 -2,-0.1 36,-0.2 -0.962 29.1-163.3-111.1 119.7 30.0 53.1 21.3 111 116 A L E - o 0 146B 5 34,-2.4 36,-2.8 -2,-0.5 2,-0.4 -0.788 25.8-149.5-113.9 146.5 28.6 49.7 20.2 112 117 A K E -mo 79 147B 71 -34,-2.4 -32,-2.2 -2,-0.3 2,-0.4 -0.942 28.3-169.5-102.3 136.5 29.8 46.4 18.8 113 118 A V E -mo 80 148B 0 34,-2.8 36,-2.3 -2,-0.4 2,-0.4 -0.990 12.7-172.2-135.5 126.8 27.1 44.8 16.6 114 119 A R E -mo 81 149B 0 -34,-2.2 -32,-2.9 -2,-0.4 2,-0.4 -0.976 1.4-176.5-117.7 134.2 26.8 41.3 15.1 115 120 A I E -mo 82 150B 0 34,-2.2 36,-2.3 -2,-0.4 2,-0.4 -0.963 10.4-179.3-131.3 113.7 24.1 40.3 12.7 116 121 A L E -mo 83 151B 0 -34,-2.5 -32,-2.1 -2,-0.4 2,-0.4 -0.945 3.5-177.5-119.1 127.6 24.1 36.6 11.6 117 122 A V E -mo 84 152B 1 34,-2.4 36,-1.9 -2,-0.4 2,-0.4 -0.955 20.1-137.6-120.1 148.0 21.8 34.8 9.2 118 123 A G E +mo 85 153B 0 -34,-1.4 -32,-2.7 45,-0.6 2,-0.3 -0.793 33.1 168.9 -92.6 144.3 21.5 31.3 8.1 119 124 A A - 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0 0 0 0, 0.0 -6,-0.3 0, 0.0 -51,-0.2 -0.352 36.0-113.2 -68.7 159.6 12.0 12.1 8.3 343 353 A R S S- 0 0 55 -53,-2.5 -7,-2.3 1,-0.2 2,-0.3 0.874 84.5 -2.8 -67.7 -38.3 8.3 12.6 8.6 344 354 A Y - 0 0 2 -9,-0.2 2,-0.8 107,-0.1 -1,-0.2 -0.980 68.2-101.8-154.3 162.9 8.2 12.9 12.4 345 355 A D > - 0 0 10 -11,-0.4 4,-2.1 105,-0.3 5,-0.2 -0.800 31.6-162.8 -85.6 107.7 10.1 12.7 15.7 346 356 A I H > S+ 0 0 6 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.909 87.4 52.1 -63.9 -48.3 9.2 9.3 17.1 347 357 A R H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 109.5 51.2 -58.3 -37.0 10.2 10.0 20.7 348 358 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 111.8 44.9 -62.9 -50.3 8.1 13.2 20.7 349 359 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.883 113.2 52.6 -64.4 -35.1 5.0 11.3 19.5 350 360 A D H X S+ 0 0 44 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.877 108.4 50.5 -65.9 -38.3 5.8 8.5 22.0 351 361 A A H X S+ 0 0 20 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.906 112.0 46.5 -67.0 -39.6 6.0 11.1 24.8 352 362 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 112.2 51.5 -68.4 -39.7 2.6 12.6 23.8 353 363 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.925 108.1 51.8 -59.8 -46.9 1.1 9.1 23.5 354 364 A A H X S+ 0 0 50 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.875 109.7 49.9 -60.9 -39.3 2.3 8.3 27.0 355 365 A K H ><>S+ 0 0 44 -4,-1.7 5,-2.5 2,-0.2 3,-0.7 0.935 111.8 46.6 -64.2 -46.7 0.7 11.4 28.4 356 366 A M H ><5S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.880 106.7 58.0 -65.1 -37.0 -2.6 10.7 26.8 357 367 A A H 3<5S+ 0 0 49 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.761 108.2 48.5 -62.8 -25.0 -2.6 7.1 28.0 358 368 A A T <<5S- 0 0 79 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.172 125.1-102.5-100.0 14.9 -2.3 8.6 31.5 359 369 A G T < 5S+ 0 0 34 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.584 72.6 143.6 78.0 14.8 -5.2 11.0 31.0 360 370 A V < - 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