==== 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 20-MAR-06 2GEK . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL MANNOSYLTRANSFERASE (PIMA); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR M.E.GUERIN,A.BUSCHIAZZO,J.KORDULAKOVA,M.JACKSON,P.M.ALZARI . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 0 0.0 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-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 . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 2 2 1 1 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 65 0, 0.0 33,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 135.2 6.8 40.0 1.3 2 2 A R E -a 34 0A 77 31,-0.2 76,-2.7 74,-0.2 77,-1.5 -0.954 360.0-168.2-104.0 115.7 4.4 42.9 1.7 3 3 A I E -ab 35 79A 0 31,-2.7 33,-2.6 -2,-0.6 2,-0.5 -0.916 11.0-159.2-111.8 121.0 2.3 42.3 4.8 4 4 A G E -ab 36 80A 0 75,-2.7 77,-3.8 -2,-0.5 2,-0.4 -0.856 14.9-168.6 -92.8 129.2 -0.8 44.3 5.7 5 5 A M E -ab 37 81A 0 31,-3.6 33,-3.3 -2,-0.5 2,-0.5 -0.971 8.9-157.7-120.6 139.0 -1.8 44.1 9.4 6 6 A V E -ab 38 82A 0 75,-2.2 77,-2.0 -2,-0.4 33,-0.2 -0.956 4.4-170.7-118.3 120.2 -5.0 45.3 11.1 7 7 A C - 0 0 0 31,-2.9 77,-0.1 -2,-0.5 4,-0.1 -0.905 12.3-155.3 -98.1 127.6 -5.2 46.1 14.8 8 8 A P S S+ 0 0 11 0, 0.0 82,-0.4 0, 0.0 2,-0.3 0.572 71.4 69.7 -80.6 -7.2 -8.8 46.7 15.9 9 9 A Y S S- 0 0 94 80,-0.1 -2,-0.1 31,-0.1 2,-0.1 -0.820 86.0-105.9-116.8 150.7 -7.7 48.9 18.9 10 10 A S > - 0 0 32 -2,-0.3 3,-0.7 1,-0.1 32,-0.1 -0.390 17.6-137.3 -67.8 145.2 -6.3 52.4 19.2 11 11 A F T 3 S+ 0 0 14 29,-0.5 -1,-0.1 1,-0.2 31,-0.1 0.350 87.3 96.8 -79.4 6.8 -2.6 52.6 20.1 12 12 A D T 3 S+ 0 0 31 29,-0.2 -1,-0.2 33,-0.1 30,-0.1 0.711 89.6 33.6 -69.0 -21.4 -3.7 55.4 22.5 13 13 A V S < S- 0 0 84 -3,-0.7 2,-0.1 32,-0.0 5,-0.1 -0.934 93.3-102.4-131.2 150.7 -3.8 52.9 25.3 14 14 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.443 50.3 148.0 -69.1 152.4 -1.6 49.9 26.2 15 15 A G > - 0 0 28 1,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.975 56.0-103.6-171.5 167.9 -3.0 46.4 25.5 16 16 A G H > S+ 0 0 44 -2,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.895 117.5 43.0 -68.9 -42.8 -2.0 42.9 24.6 17 17 A V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 114.2 49.4 -68.1 -50.4 -3.2 43.1 21.0 18 18 A Q H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 114.4 45.2 -51.9 -48.5 -1.8 46.6 20.2 19 19 A S H X S+ 0 0 31 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.830 110.6 54.3 -70.7 -33.8 1.6 45.7 21.6 20 20 A H H X S+ 0 0 7 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.925 110.4 46.3 -59.4 -49.1 1.6 42.3 19.8 21 21 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.946 113.2 48.0 -60.3 -51.4 0.9 44.0 16.4 22 22 A L H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 115.8 42.7 -62.8 -43.0 3.5 46.8 16.8 23 23 A Q H X S+ 0 0 39 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.853 113.7 52.3 -71.0 -36.0 6.4 44.5 17.9 24 24 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.941 110.8 48.1 -64.3 -48.6 5.5 41.9 15.3 25 25 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.941 112.7 48.2 -49.2 -54.0 5.6 44.6 12.6 26 26 A E H X S+ 0 0 105 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.897 112.4 48.8 -57.2 -46.4 9.0 45.9 13.8 27 27 A V H X S+ 0 0 38 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.880 111.1 50.6 -61.8 -40.6 10.4 42.4 13.9 28 28 A L H <>S+ 0 0 5 -4,-2.2 5,-2.0 1,-0.2 3,-0.3 0.857 108.7 50.2 -69.7 -42.6 9.2 41.7 10.4 29 29 A R H ><5S+ 0 0 111 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.846 104.7 58.3 -58.0 -41.4 10.7 44.8 8.9 30 30 A D H 3<5S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.748 101.6 56.9 -66.4 -21.8 14.1 43.9 10.6 31 31 A A T 3<5S- 0 0 71 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.449 130.6 -96.8 -84.8 5.5 13.9 40.6 8.6 32 32 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.425 82.8 130.6 95.7 1.3 13.6 42.7 5.3 33 33 A H < - 0 0 43 -5,-2.0 2,-0.5 -8,-0.1 -1,-0.3 -0.499 55.8-125.8 -86.6 157.1 9.8 42.7 4.9 34 34 A E E -a 2 0A 108 -33,-2.2 -31,-2.7 -2,-0.1 2,-0.4 -0.887 30.0-171.8 -99.7 133.0 7.5 45.6 4.3 35 35 A V E -a 3 0A 10 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.993 13.7-167.7-131.5 134.2 4.7 45.9 6.7 36 36 A S E -a 4 0A 17 -33,-2.6 -31,-3.6 -2,-0.4 2,-0.6 -0.991 11.3-158.2-121.0 123.5 1.7 48.3 6.7 37 37 A V E -ac 5 51A 0 13,-1.9 15,-3.7 -2,-0.5 2,-0.4 -0.903 3.8-165.8-107.0 116.8 -0.4 48.5 9.9 38 38 A L E +ac 6 52A 0 -33,-3.3 -31,-2.9 -2,-0.6 15,-0.2 -0.863 25.0 147.2 -97.7 132.6 -4.0 49.7 9.9 39 39 A A E - c 0 53A 1 13,-1.8 15,-2.8 -2,-0.4 16,-0.4 -0.954 52.2 -79.0-152.3 163.7 -5.5 50.7 13.3 40 40 A P S S- 0 0 14 0, 0.0 -29,-0.5 0, 0.0 16,-0.2 -0.247 74.6 -64.2 -63.6 168.4 -8.1 53.2 14.6 41 41 A A - 0 0 31 14,-2.1 -29,-0.2 -31,-0.1 16,-0.1 -0.265 50.3-177.3 -54.5 129.5 -6.9 56.9 15.0 42 42 A S > + 0 0 14 -32,-0.1 3,-1.0 -3,-0.1 -1,-0.1 -0.672 17.2 157.1-126.9 69.0 -4.2 57.0 17.7 43 43 A P T 3 + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.703 64.8 64.8 -72.3 -17.2 -3.5 60.8 17.9 44 44 A H T 3 S+ 0 0 152 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.315 97.9 59.6 -87.0 3.8 -2.0 60.7 21.5 45 45 A V S < S- 0 0 62 -3,-1.0 2,-0.6 -32,-0.0 -3,-0.1 -0.964 81.7-116.3-139.5 148.9 1.0 58.6 20.7 46 46 A K - 0 0 170 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.776 41.6-178.1 -85.7 120.6 4.1 58.8 18.4 47 47 A L - 0 0 51 -2,-0.6 -5,-0.0 4,-0.1 -2,-0.0 -0.873 32.3 -98.3-121.1 152.5 3.8 56.0 15.8 48 48 A P > - 0 0 45 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.298 41.5-107.0 -68.4 162.5 6.2 54.9 13.1 49 49 A D T 3 S+ 0 0 157 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.514 114.0 69.4 -72.1 -5.0 5.2 56.2 9.6 50 50 A Y T 3 S+ 0 0 28 -14,-0.1 -13,-1.9 2,-0.1 2,-0.5 0.539 77.5 96.0 -87.2 -7.2 4.1 52.7 8.5 51 51 A V E < -c 37 0A 26 -3,-1.9 2,-0.3 -15,-0.2 -13,-0.2 -0.746 62.1-163.7 -84.0 125.5 1.1 52.9 10.9 52 52 A V E -c 38 0A 37 -15,-3.7 -13,-1.8 -2,-0.5 2,-0.4 -0.874 15.8-120.2-114.6 141.4 -2.0 54.1 8.9 53 53 A S E -c 39 0A 62 -2,-0.3 3,-0.1 -15,-0.2 -12,-0.1 -0.643 15.7-169.3 -90.1 131.0 -5.2 55.5 10.5 54 54 A G - 0 0 1 -15,-2.8 14,-0.2 -2,-0.4 13,-0.1 0.349 52.8-109.2 -91.2 5.1 -8.6 53.8 9.9 55 55 A G - 0 0 23 -16,-0.4 -14,-2.1 12,-0.1 2,-0.4 -0.394 43.4 -57.1 95.6-175.8 -10.4 56.8 11.5 56 56 A K - 0 0 74 -16,-0.2 5,-0.5 -2,-0.1 2,-0.1 -0.883 44.4-125.7-108.2 131.1 -12.3 57.1 14.8 57 57 A A 0 0 65 -2,-0.4 -2,-0.0 3,-0.2 -3,-0.0 -0.462 360.0 360.0 -65.5 143.4 -15.2 55.0 15.9 58 58 A V 0 0 143 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 -0.889 360.0 360.0-104.7 360.0 -18.3 57.0 16.9 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 71 A F 0 0 64 0, 0.0 -3,-0.2 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 136.7 -17.1 53.2 12.4 61 72 A G >> - 0 0 30 -5,-0.5 3,-1.3 3,-0.0 4,-1.1 -0.173 360.0 -78.8 -89.6-178.4 -18.5 55.5 9.8 62 73 A P H 3> S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.837 122.1 60.3 -48.8 -48.6 -18.3 55.8 5.9 63 74 A A H 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.842 107.0 50.5 -52.0 -33.8 -14.8 57.5 5.8 64 75 A T H <> S+ 0 0 6 -3,-1.3 4,-2.4 2,-0.2 -1,-0.3 0.869 106.3 51.6 -72.2 -42.3 -13.5 54.4 7.5 65 76 A H H X S+ 0 0 82 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.878 114.1 46.1 -61.5 -38.9 -15.2 51.9 5.1 66 77 A R H X S+ 0 0 162 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.879 110.6 52.6 -65.5 -44.3 -13.5 53.9 2.2 67 78 A K H X S+ 0 0 62 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.897 110.6 47.1 -61.6 -45.3 -10.2 54.0 3.9 68 79 A V H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.922 113.7 46.8 -60.0 -50.5 -10.1 50.2 4.4 69 80 A K H X S+ 0 0 119 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.923 116.9 45.3 -59.8 -44.8 -11.2 49.4 0.8 70 81 A K H X S+ 0 0 103 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.813 110.7 52.7 -64.9 -38.1 -8.5 51.9 -0.5 71 82 A W H X S+ 0 0 14 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.867 114.2 42.9 -69.0 -41.2 -5.8 50.7 1.8 72 83 A I H >X S+ 0 0 1 -4,-2.2 4,-0.7 2,-0.2 3,-0.6 0.969 116.5 47.1 -65.0 -55.4 -6.4 47.1 0.6 73 84 A A H 3< S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.715 121.0 37.7 -54.6 -34.7 -6.7 48.1 -3.1 74 85 A E H 3< S+ 0 0 133 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.620 101.6 75.5 -96.2 -9.4 -3.6 50.3 -3.0 75 86 A G H << S- 0 0 6 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.625 75.9-147.6 -89.6 -20.3 -1.5 48.1 -0.7 76 87 A D < - 0 0 117 -4,-0.7 2,-0.2 283,-0.2 -74,-0.2 0.867 31.3-173.6 60.5 39.9 -0.3 45.3 -2.9 77 88 A F - 0 0 1 -5,-0.5 282,-2.7 282,-0.3 -74,-0.2 -0.460 32.8-165.7 -77.2 133.4 -0.3 42.9 -0.0 78 89 A D S S+ 0 0 50 -76,-2.7 2,-0.3 1,-0.3 276,-0.2 0.808 87.7 15.0 -77.3 -31.7 1.0 39.3 -0.3 79 90 A V E -b 3 0A 0 -77,-1.5 -75,-2.7 274,-0.1 2,-0.5 -0.992 65.3-152.2-140.1 141.0 -0.7 38.6 3.1 80 91 A L E -bd 4 102A 0 21,-2.3 23,-2.9 -2,-0.3 2,-0.7 -0.989 16.7-161.3-109.3 117.9 -3.4 40.4 5.1 81 92 A H E -bd 5 103A 0 -77,-3.8 -75,-2.2 -2,-0.5 2,-0.4 -0.894 6.9-167.1-106.6 109.5 -3.0 39.6 8.8 82 93 A I E -bd 6 104A 1 21,-3.1 23,-2.6 -2,-0.7 2,-0.5 -0.705 5.7-152.6 -97.0 130.3 -6.1 40.4 10.8 83 94 A H E - d 0 105A 0 -77,-2.0 8,-0.2 -2,-0.4 3,-0.2 -0.934 68.8 -13.8-109.7 130.9 -6.1 40.5 14.6 84 95 A E - 0 0 2 21,-2.7 2,-3.1 -2,-0.5 7,-0.2 0.926 66.1-161.4 53.4 62.1 -9.2 39.8 16.7 85 96 A P + 0 0 2 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.273 26.2 162.4 -74.9 63.1 -11.9 40.0 14.0 86 97 A N - 0 0 76 -2,-3.1 6,-0.5 -3,-0.2 5,-0.1 -0.452 46.0 -86.8 -71.4 155.0 -14.8 40.5 16.4 87 98 A A S S+ 0 0 57 1,-0.2 2,-0.1 -2,-0.1 3,-0.0 -0.947 114.2 27.4-109.0 126.5 -18.1 41.8 15.0 88 99 A P S S+ 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.642 98.1 106.3 -85.6 157.4 -18.2 44.8 14.9 89 100 A S S > S- 0 0 17 1,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.917 77.2 -98.3-175.4 160.2 -14.6 45.9 14.6 90 101 A L H > S+ 0 0 0 -82,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.895 122.3 53.3 -49.8 -47.0 -12.0 47.4 12.2 91 102 A S H > S+ 0 0 0 -7,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 108.3 48.1 -60.4 -39.5 -10.6 43.8 11.7 92 103 A M H > S+ 0 0 4 -6,-0.5 4,-2.3 -8,-0.2 -1,-0.2 0.830 108.7 54.5 -73.1 -33.2 -14.0 42.4 10.7 93 104 A L H X S+ 0 0 24 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.945 110.2 47.3 -61.1 -47.3 -14.5 45.3 8.4 94 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.910 110.1 52.3 -60.8 -41.1 -11.2 44.4 6.7 95 106 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.882 111.1 47.1 -67.8 -35.6 -12.2 40.7 6.6 96 107 A Q H < S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.3 44.9 -70.6 -32.0 -15.5 41.6 4.9 97 108 A A H < S+ 0 0 14 -4,-1.9 265,-3.6 -5,-0.2 -2,-0.2 0.792 102.9 80.9 -82.3 -22.5 -13.7 43.9 2.4 98 109 A A E < -G 361 0B 0 -4,-2.1 2,-0.4 263,-0.3 263,-0.2 -0.495 51.2-172.0 -96.5 150.2 -10.8 41.6 1.5 99 110 A E E +G 360 0B 105 261,-2.6 261,-2.3 -2,-0.2 -3,-0.0 -0.980 53.0 19.6-130.0 142.5 -10.4 38.7 -0.8 100 111 A G S S+ 0 0 34 -2,-0.4 2,-1.4 259,-0.2 31,-0.2 -0.818 104.0 25.2 115.4-141.8 -7.3 36.3 -1.0 101 112 A P S S+ 0 0 5 0, 0.0 -21,-2.3 0, 0.0 2,-0.4 -0.517 72.4 167.2 -65.6 83.9 -4.4 35.4 1.3 102 113 A I E -d 80 0A 0 -2,-1.4 30,-1.9 27,-0.5 29,-1.8 -0.881 16.3-175.0-109.2 131.7 -5.9 36.3 4.7 103 114 A V E -de 81 132A 0 -23,-2.9 -21,-3.1 -2,-0.4 2,-0.4 -0.936 6.8-166.2-120.0 139.8 -4.5 35.2 8.1 104 115 A A E -de 82 133A 0 28,-2.6 30,-2.9 -2,-0.4 2,-0.5 -0.998 11.3-153.9-127.4 139.4 -6.2 35.9 11.5 105 116 A T E -de 83 134A 2 -23,-2.6 -21,-2.7 -2,-0.4 2,-0.8 -0.962 7.5-155.4-106.7 124.5 -5.0 35.7 15.0 106 117 A F E + e 0 135A 17 28,-3.2 30,-1.1 -2,-0.5 -23,-0.1 -0.879 16.1 176.5 -97.3 100.6 -7.7 35.0 17.7 107 118 A H + 0 0 9 -2,-0.8 2,-0.3 28,-0.1 -1,-0.1 0.711 62.2 39.4 -78.3 -26.3 -6.2 36.5 20.8 108 119 A T + 0 0 75 156,-0.1 2,-0.3 155,-0.1 155,-0.1 -0.879 56.8 163.5-127.7 156.8 -9.1 35.8 23.1 109 120 A S - 0 0 35 -2,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.943 12.2-175.4-155.0 161.8 -11.6 33.0 23.6 110 121 A T - 0 0 122 1,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.548 62.7 -3.4-117.7 -70.9 -14.0 32.0 26.3 111 122 A T - 0 0 59 1,-0.1 -1,-0.5 29,-0.0 4,-0.2 -0.827 58.6-114.1-127.1 159.1 -15.8 28.7 25.8 112 123 A K S >> S+ 0 0 98 -2,-0.3 4,-2.4 2,-0.2 3,-1.4 0.933 118.6 49.5 -50.1 -52.0 -16.1 25.9 23.2 113 124 A S H 3> S+ 0 0 82 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.918 107.1 51.6 -62.2 -47.9 -19.8 26.9 22.6 114 125 A L H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.443 114.0 47.2 -71.9 1.1 -19.1 30.6 22.2 115 126 A T H <> S+ 0 0 16 -3,-1.4 4,-2.0 -4,-0.2 -2,-0.2 0.728 110.4 48.3-101.6 -41.4 -16.5 29.7 19.5 116 127 A L H X S+ 0 0 44 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.883 115.4 46.4 -61.1 -40.6 -18.6 27.2 17.5 117 128 A S H X S+ 0 0 73 -4,-2.3 4,-1.0 -5,-0.2 -3,-0.1 0.944 112.9 46.2 -75.8 -47.5 -21.6 29.6 17.4 118 129 A V H 4 S+ 0 0 73 -5,-0.3 5,-0.4 -4,-0.2 3,-0.3 0.911 120.5 40.8 -57.4 -45.7 -19.6 32.7 16.4 119 130 A F H < S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.835 122.5 39.5 -71.7 -35.3 -17.7 30.7 13.7 120 131 A Q H < S+ 0 0 101 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.326 105.4 84.7 -96.4 1.3 -20.7 28.7 12.5 121 132 A G S >< S- 0 0 35 -4,-1.0 3,-2.2 -3,-0.3 -3,-0.1 0.172 107.3 -54.9 -86.1-154.3 -23.2 31.6 12.7 122 133 A I T 3 S+ 0 0 156 1,-0.3 4,-0.2 2,-0.1 -4,-0.1 0.680 134.3 57.7 -65.5 -17.8 -24.2 34.4 10.3 123 134 A L T >> S+ 0 0 32 -5,-0.4 4,-1.9 1,-0.2 3,-0.9 0.434 75.1 102.2 -91.3 3.4 -20.5 35.5 10.1 124 135 A R H <> S+ 0 0 90 -3,-2.2 4,-3.1 1,-0.2 3,-0.2 0.889 72.9 59.9 -45.5 -56.0 -19.4 32.0 8.9 125 136 A P H 34 S+ 0 0 78 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.830 112.2 40.9 -39.5 -44.6 -19.1 33.3 5.2 126 137 A Y H X4 S+ 0 0 77 -3,-0.9 3,-0.7 2,-0.2 4,-0.3 0.789 111.7 52.9 -77.5 -36.3 -16.5 35.7 6.4 127 138 A H H >< S+ 0 0 4 -4,-1.9 3,-1.5 -3,-0.2 -3,-0.2 0.890 103.0 60.1 -71.0 -37.1 -14.7 33.4 8.8 128 139 A E T 3< S+ 0 0 108 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.659 92.4 68.2 -56.5 -21.9 -14.3 30.8 5.9 129 140 A K T < S+ 0 0 50 -3,-0.7 2,-0.7 -4,-0.3 -27,-0.5 0.652 77.7 97.1 -73.7 -17.8 -12.3 33.5 4.0 130 141 A I < - 0 0 9 -3,-1.5 -27,-0.2 -4,-0.3 3,-0.1 -0.655 50.7-179.7 -74.8 115.2 -9.5 33.2 6.5 131 142 A I S S+ 0 0 94 -29,-1.8 2,-0.5 -2,-0.7 -28,-0.2 0.796 70.5 41.3 -88.7 -33.5 -7.0 30.8 5.1 132 143 A G E S-e 103 0A 6 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X S+ 0 0 129 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.815 107.4 54.8 -58.8 -33.6 -9.0 22.6 18.8 143 154 A W H X S+ 0 0 33 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.885 107.0 49.0 -67.2 -41.4 -12.3 24.6 19.2 144 155 A Q H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 6,-0.4 0.892 112.0 49.2 -63.6 -41.6 -11.7 26.4 15.9 145 156 A M H X S+ 0 0 58 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.877 110.5 50.2 -62.3 -43.8 -11.0 23.1 14.3 146 157 A E H < S+ 0 0 101 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.829 114.0 48.7 -58.5 -36.5 -14.2 21.6 15.8 147 158 A A H < S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.1 0.951 125.3 16.4 -71.6 -56.2 -16.2 24.7 14.4 148 159 A L H < S- 0 0 15 -4,-2.2 -3,-0.1 2,-0.2 -2,-0.1 0.381 92.1-121.2-111.4 -0.7 -15.2 25.0 10.8 149 160 A G S < S+ 0 0 74 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.1 0.654 74.9 108.5 67.1 18.4 -13.6 21.7 9.9 150 161 A S S S- 0 0 53 -6,-0.4 -2,-0.2 -5,-0.1 -1,-0.2 -0.927 75.4 -83.3-130.7 157.9 -10.2 23.3 8.9 151 162 A D + 0 0 134 -2,-0.3 -18,-0.5 -3,-0.1 2,-0.3 -0.304 41.7 177.7 -63.0 119.7 -6.7 23.5 10.2 152 163 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173 A A H 3> S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.707 95.4 64.8 -68.5 -23.1 16.4 40.7 26.1 163 174 A S H <4 S+ 0 0 56 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.684 113.3 34.5 -76.9 -17.9 14.6 44.0 26.7 164 175 A F H X< S+ 0 0 14 -3,-1.0 3,-1.8 -4,-0.6 -2,-0.2 0.842 116.2 53.3 -92.3 -50.7 13.5 42.7 30.1 165 176 A A H 3< S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.811 120.5 34.0 -55.2 -34.0 16.6 40.6 30.9 166 177 A D T 3< S+ 0 0 121 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.171 85.4 133.4-111.5 11.0 18.8 43.6 30.3 167 178 A A < - 0 0 4 -3,-1.8 2,-0.3 79,-0.1 -3,-0.1 -0.381 61.7-113.4 -57.2 137.9 16.5 46.4 31.6 168 179 A P - 0 0 94 0, 0.0 82,-0.1 0, 0.0 83,-0.1 -0.601 36.9-106.4 -72.3 137.6 18.3 48.9 33.9 169 180 A L - 0 0 76 -2,-0.3 79,-0.1 81,-0.1 78,-0.1 -0.325 34.0-105.1 -54.7 139.2 17.0 48.8 37.5 170 181 A L > - 0 0 31 77,-0.7 3,-0.8 1,-0.1 2,-0.2 -0.408 52.3 -86.8 -60.2 147.4 14.7 51.7 38.7 171 182 A D T 3 S+ 0 0 167 1,-0.2 -1,-0.1 -2,-0.1 80,-0.0 -0.406 116.3 28.2 -67.3 128.8 16.6 54.0 41.1 172 183 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.672 102.2 177.8 93.6 22.1 16.6 52.9 44.7 173 184 A Y < + 0 0 27 -3,-0.8 -1,-0.3 2,-0.1 2,-0.2 -0.956 42.7 25.1-139.0 148.2 16.3 49.2 43.7 174 185 A P S S- 0 0 83 0, 0.0 2,-0.2 0, 0.0 78,-0.1 0.581 83.6-145.4 -71.5 160.4 16.1 46.5 44.7 175 186 A R - 0 0 53 76,-0.4 4,-0.2 -2,-0.2 -2,-0.1 -0.625 11.2-137.4 -90.1 154.3 14.7 47.5 48.1 176 187 A E S S+ 0 0 100 -2,-0.2 -1,-0.1 1,-0.2 33,-0.1 0.827 107.2 54.2 -81.4 -39.4 15.6 45.8 51.4 177 188 A G S S- 0 0 15 32,-0.2 32,-0.3 1,-0.1 -1,-0.2 0.640 117.1-126.1 -62.5 -14.0 12.0 45.9 52.8 178 189 A R - 0 0 45 32,-0.2 33,-1.6 1,-0.1 2,-0.4 0.382 17.1-119.2 76.9 149.6 11.2 44.1 49.4 179 190 A T E -i 211 0D 0 -4,-0.2 74,-1.5 31,-0.2 75,-1.2 -0.958 10.6-158.9-121.1 136.2 8.7 45.0 46.6 180 191 A V E -ij 212 254D 0 31,-2.8 33,-2.6 -2,-0.4 2,-0.4 -0.973 19.9-143.8-108.8 129.8 5.7 43.2 45.0 181 192 A L E -ij 213 255D 0 73,-2.7 75,-3.0 -2,-0.5 2,-0.4 -0.775 16.1-176.1 -90.7 131.8 4.7 44.3 41.6 182 193 A F E -i 214 0D 0 31,-2.8 33,-3.1 -2,-0.4 2,-0.4 -0.991 9.5-168.3-116.0 133.9 1.1 44.5 40.3 183 194 A L E +i 215 0D 28 -2,-0.4 2,-0.2 73,-0.4 33,-0.2 -0.983 38.0 43.7-127.6 125.4 0.6 45.5 36.7 184 195 A G S S- 0 0 13 31,-2.9 2,-1.9 -2,-0.4 -2,-0.1 -0.746 95.9 -37.9 143.2 178.5 -2.8 46.4 35.1 185 196 A R > - 0 0 51 -2,-0.2 3,-2.1 1,-0.2 6,-0.3 -0.548 56.1-165.0 -73.5 84.8 -6.0 48.3 35.2 186 197 A Y T 3 S+ 0 0 11 -2,-1.9 7,-0.4 31,-0.3 -1,-0.2 0.575 75.5 63.5 -57.9 -12.6 -6.4 47.7 39.0 187 198 A D T 3 S+ 0 0 90 30,-0.4 -1,-0.3 6,-0.1 31,-0.1 0.336 74.5 89.7-105.1 13.5 -10.1 48.8 39.0 188 199 A E S X S- 0 0 46 -3,-2.1 3,-2.4 1,-0.1 5,-0.3 -0.948 78.7-140.3 -88.3 116.9 -11.6 46.1 36.7 189 200 A P G > S+ 0 0 110 0, 0.0 3,-2.3 0, 0.0 71,-0.2 0.790 97.3 70.7 -44.6 -34.4 -12.4 43.4 39.4 190 201 A R G 3 S+ 0 0 43 1,-0.3 70,-3.7 69,-0.1 71,-0.9 0.746 87.3 64.6 -59.7 -22.3 -11.2 40.7 37.0 191 202 A K G < S- 0 0 58 -3,-2.4 -1,-0.3 -6,-0.3 68,-0.2 0.514 106.0-131.1 -81.8 -4.7 -7.6 42.0 37.5 192 203 A G X> + 0 0 1 -3,-2.3 4,-1.4 -4,-0.2 3,-0.8 0.721 56.8 145.4 66.7 33.0 -7.9 40.9 41.2 193 204 A M H 3> S+ 0 0 5 -7,-0.4 4,-3.0 -5,-0.3 5,-0.2 0.902 71.6 63.2 -63.1 -41.3 -6.6 44.0 43.1 194 205 A A H 3> S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.752 102.5 51.0 -48.9 -30.7 -9.2 43.2 45.9 195 206 A V H <> S+ 0 0 8 -3,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.913 111.5 44.3 -77.3 -48.3 -7.2 39.9 46.5 196 207 A L H >X S+ 0 0 1 -4,-1.4 4,-0.8 1,-0.2 3,-0.6 0.889 113.7 52.9 -59.7 -42.3 -3.8 41.5 46.8 197 208 A L H >< S+ 0 0 21 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.925 107.4 50.5 -59.0 -44.8 -5.4 44.2 49.0 198 209 A A H 3< S+ 0 0 54 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.640 111.8 49.9 -69.5 -15.6 -6.9 41.5 51.3 199 210 A A H S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.932 111.1 43.5 -57.2 -48.0 -2.1 42.9 56.2 202 213 A K H 4 S+ 0 0 40 -4,-0.3 4,-0.5 1,-0.2 -2,-0.2 0.929 117.2 48.6 -60.7 -41.2 -0.5 39.4 56.5 203 214 A L H >X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-1.0 0.910 112.4 47.1 -60.7 -48.0 2.3 40.6 54.1 204 215 A V H 3< S+ 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38.3 284 295 A L >> - 0 0 23 17,-0.1 4,-2.6 18,-0.1 3,-0.6 -0.599 59.2 -99.4 -82.5 163.3 -6.3 30.5 35.6 285 296 A D H 3> S+ 0 0 114 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.842 125.1 53.4 -56.2 -37.3 -5.7 28.0 32.7 286 297 A A H 3> S+ 0 0 2 -23,-0.4 4,-1.6 2,-0.2 -20,-0.6 0.784 111.3 45.1 -69.0 -30.0 -3.6 30.6 30.8 287 298 A F H <> S+ 0 0 1 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.894 107.7 57.3 -82.1 -42.2 -1.3 31.2 33.8 288 299 A R H X>S+ 0 0 85 -4,-2.6 5,-2.3 1,-0.2 4,-0.7 0.849 110.2 46.5 -50.7 -36.7 -1.0 27.5 34.5 289 300 A R H <5S+ 0 0 88 -4,-1.3 -2,-0.2 -5,-0.2 3,-0.2 0.920 111.9 47.9 -83.8 -35.4 0.3 27.0 31.0 290 301 A V H <5S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.950 118.9 41.1 -57.6 -52.0 2.8 30.0 31.0 291 302 A L H X>S- 0 0 0 -4,-3.0 5,-2.8 -5,-0.1 4,-0.6 0.548 110.2-124.9 -75.2 -9.5 4.2 28.8 34.4 292 303 A A T ><5 - 0 0 33 -4,-0.7 3,-0.7 -5,-0.3 -3,-0.2 0.931 67.0 -52.3 64.0 49.7 4.1 25.0 33.4 293 304 A D T 34 - 0 0 73 0, 0.0 3,-1.1 0, 0.0 -18,-0.1 -0.370 47.1-104.1 -65.6 152.0 -6.0 29.2 43.8 302 313 A V T 3 S+ 0 0 64 -19,-0.3 2,-0.7 1,-0.3 -20,-0.1 0.850 106.7 22.5 -48.1 -69.3 -8.2 32.0 42.2 303 314 A D T 3 S+ 0 0 117 -43,-0.1 2,-0.7 1,-0.1 -1,-0.3 -0.271 88.8 129.1 -99.6 53.5 -10.1 33.9 44.9 304 315 A D <> + 0 0 65 -3,-1.1 4,-1.6 -2,-0.7 5,-0.1 -0.834 27.8 173.9-116.5 89.4 -7.8 33.0 47.7 305 316 A A H > S+ 0 0 26 -2,-0.7 4,-1.9 2,-0.2 3,-0.2 0.956 83.4 41.2 -58.2 -55.3 -6.7 36.0 49.7 306 317 A D H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.757 112.6 54.4 -73.5 -23.2 -4.8 34.1 52.5 307 318 A G H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.821 108.4 51.4 -70.4 -32.6 -3.3 31.7 50.0 308 319 A M H X S+ 0 0 2 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.856 108.6 50.0 -70.7 -40.8 -2.0 34.7 48.1 309 320 A A H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.981 112.7 47.0 -54.9 -59.0 -0.4 36.2 51.3 310 321 A A H X S+ 0 0 53 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.872 111.1 51.9 -52.6 -45.2 1.3 32.9 52.1 311 322 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.900 113.1 43.3 -60.3 -44.1 2.6 32.5 48.6 312 323 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.826 117.3 46.7 -74.0 -34.9 4.2 35.9 48.4 313 324 A I H X S+ 0 0 23 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.840 112.2 50.6 -70.3 -41.4 5.6 35.5 51.9 314 325 A G H X S+ 0 0 31 -4,-3.2 4,-1.0 -5,-0.3 -2,-0.2 0.882 113.4 46.4 -63.4 -39.2 6.9 32.0 51.1 315 326 A I H < S+ 0 0 2 -4,-2.1 7,-0.4 -5,-0.2 -2,-0.2 0.931 115.2 44.7 -69.2 -45.3 8.5 33.4 48.0 316 327 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.780 117.1 43.3 -72.7 -31.3 10.1 36.4 49.7 317 328 A E H < S+ 0 0 53 -4,-2.2 2,-0.6 1,-0.2 -1,-0.2 0.564 106.4 65.0 -91.0 -10.6 11.4 34.6 52.8 318 329 A D X + 0 0 82 -4,-1.0 4,-2.0 -3,-0.2 3,-0.3 -0.831 60.0 179.3-115.5 95.5 12.8 31.5 50.9 319 330 A D H > S+ 0 0 83 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.819 80.2 49.3 -66.3 -34.6 15.6 32.7 48.7 320 331 A Q H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.775 108.3 53.8 -74.1 -30.7 16.5 29.3 47.2 321 332 A L H > S+ 0 0 61 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.962 114.0 43.6 -66.4 -47.4 12.9 28.6 46.3 322 333 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