==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-00 1F4L . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.SERRE,G.VERDON,T.CHONOWSKI,N.HERVOUET,C.ZELWER . 546 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 26 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.3 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 1 1 3 1 3 1 1 1 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 3 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 . 6 3 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 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 4 A A 0 0 109 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -60.3 -14.8 -3.4 31.8 2 5 A K - 0 0 80 1,-0.0 39,-2.9 282,-0.0 2,-0.5 -0.248 360.0-124.2 -80.6 171.9 -12.6 -2.0 29.0 3 6 A K E -a 41 0A 57 280,-0.4 282,-2.9 37,-0.2 2,-0.4 -0.961 36.6-178.9-109.0 122.3 -10.3 -3.6 26.4 4 7 A I E -ab 42 285A 2 37,-2.6 39,-2.2 -2,-0.5 2,-0.5 -0.996 19.6-162.9-131.0 134.8 -6.8 -2.1 26.7 5 8 A L E -ab 43 286A 1 280,-3.1 282,-2.8 -2,-0.4 2,-0.4 -0.970 17.6-175.9-116.5 121.5 -3.7 -2.7 24.6 6 9 A V E -ab 44 287A 0 37,-2.8 39,-2.7 -2,-0.5 2,-0.3 -0.984 2.6-178.4-118.5 138.5 -0.5 -1.6 26.3 7 10 A T E -ab 45 288A 0 280,-2.0 282,-2.7 -2,-0.4 2,-0.3 -0.899 17.5-150.6-129.3 160.9 3.1 -1.6 24.9 8 11 A C E - b 0 289A 0 37,-1.0 282,-0.2 -2,-0.3 39,-0.1 -0.827 49.2 -79.5-112.3 160.8 6.6 -0.7 26.0 9 12 A A - 0 0 9 280,-0.7 38,-0.2 -2,-0.3 -1,-0.1 -0.260 50.4-107.5 -55.0 148.7 9.2 0.4 23.4 10 13 A L - 0 0 1 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.662 35.2-129.3 -86.1 115.5 10.9 -2.4 21.5 11 14 A P - 0 0 2 0, 0.0 38,-2.9 0, 0.0 2,-0.1 -0.391 25.1-104.8 -69.7 139.7 14.4 -2.9 22.7 12 15 A Y B > -e 49 0B 66 535,-0.7 3,-1.1 36,-0.2 38,-0.2 -0.407 20.3-136.1 -59.9 140.8 17.2 -3.0 20.1 13 16 A A T 3 S+ 0 0 1 36,-2.3 -1,-0.1 1,-0.2 60,-0.1 0.448 94.8 70.3 -78.9 -0.2 18.6 -6.6 19.5 14 17 A N T 3 S+ 0 0 35 35,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.355 98.0 44.6-102.9 12.7 22.2 -5.4 19.6 15 18 A G S < S- 0 0 32 -3,-1.1 2,-0.1 3,-0.0 3,-0.1 -0.986 82.0-106.8-150.9 151.0 22.5 -4.5 23.3 16 19 A S - 0 0 26 -2,-0.3 2,-0.2 1,-0.1 -4,-0.1 -0.395 45.8 -91.1 -76.5 156.7 21.6 -6.0 26.7 17 20 A I - 0 0 0 -2,-0.1 323,-2.6 322,-0.1 324,-0.5 -0.486 50.0-177.4 -64.8 136.2 18.7 -4.7 28.9 18 21 A H B > -F 339 0C 51 321,-0.3 4,-2.0 -2,-0.2 3,-0.3 -0.594 45.3 -85.1-127.6 179.8 19.9 -2.1 31.4 19 22 A L H > S+ 0 0 0 319,-1.9 4,-1.9 1,-0.2 5,-0.1 0.728 123.2 63.1 -58.5 -26.2 18.2 -0.1 34.2 20 23 A G H > S+ 0 0 20 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.946 107.1 42.5 -61.2 -49.8 17.0 2.5 31.7 21 24 A H H > S+ 0 0 41 -3,-0.3 4,-2.2 1,-0.2 3,-0.3 0.909 110.8 59.1 -56.7 -43.7 14.9 -0.1 29.9 22 25 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.838 97.1 58.4 -63.8 -33.5 13.9 -1.4 33.3 23 26 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.917 110.7 43.9 -55.9 -47.0 12.3 2.0 34.4 24 27 A E H X S+ 0 0 14 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.919 114.2 46.3 -66.0 -48.1 10.0 1.8 31.4 25 28 A H H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.854 114.3 48.8 -68.5 -32.4 8.9 -1.8 31.7 26 29 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.904 109.8 52.0 -68.7 -42.9 8.3 -1.6 35.4 27 30 A Q H X S+ 0 0 3 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.945 114.4 43.1 -56.8 -50.3 6.3 1.6 35.0 28 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.883 112.3 53.1 -62.6 -43.2 4.1 -0.1 32.4 29 32 A D H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.860 106.1 51.9 -65.9 -39.0 3.8 -3.3 34.3 30 33 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.923 113.7 45.6 -59.3 -44.7 2.6 -1.7 37.5 31 34 A W H X S+ 0 0 9 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.924 114.0 48.0 -65.4 -47.3 -0.1 0.1 35.5 32 35 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.890 110.7 50.7 -57.5 -49.0 -1.0 -3.1 33.6 33 36 A R H X S+ 0 0 63 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.913 110.4 50.6 -60.1 -38.0 -1.2 -5.2 36.8 34 37 A Y H X S+ 0 0 6 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.946 108.6 51.4 -66.3 -42.8 -3.5 -2.5 38.4 35 38 A Q H ><>S+ 0 0 1 -4,-2.6 5,-1.6 1,-0.2 3,-0.5 0.879 108.6 50.9 -60.8 -38.2 -5.8 -2.5 35.3 36 39 A R H ><5S+ 0 0 81 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.910 105.6 57.5 -64.8 -38.6 -6.1 -6.3 35.5 37 40 A M H 3<5S+ 0 0 37 -4,-2.1 472,-0.5 1,-0.3 -1,-0.2 0.759 102.2 55.5 -60.7 -29.8 -7.0 -6.0 39.2 38 41 A R T <<5S- 0 0 98 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.304 122.9-102.9 -90.2 13.0 -9.9 -3.7 38.2 39 42 A G T < 5S+ 0 0 57 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.438 71.0 143.5 87.7 2.9 -11.4 -6.3 35.9 40 43 A H < - 0 0 31 -5,-1.6 2,-0.7 -39,-0.1 -1,-0.2 -0.253 57.6-113.6 -76.0 155.0 -10.3 -5.0 32.5 41 44 A E E -a 3 0A 86 -39,-2.9 -37,-2.6 2,-0.0 2,-0.4 -0.892 46.0-173.9 -85.2 114.2 -9.3 -7.1 29.5 42 45 A V E -a 4 0A 13 -2,-0.7 2,-0.5 -39,-0.2 -37,-0.2 -0.955 22.0-169.8-121.7 136.5 -5.6 -6.2 29.2 43 46 A N E -a 5 0A 12 -39,-2.2 -37,-2.8 -2,-0.4 2,-0.6 -0.976 7.9-165.9-124.7 109.2 -3.1 -7.1 26.5 44 47 A F E -a 6 0A 0 -2,-0.5 45,-2.6 43,-0.2 46,-1.5 -0.915 17.7-176.6-101.8 115.3 0.5 -6.2 27.4 45 48 A I E +ac 7 90A 0 -39,-2.7 -37,-1.0 -2,-0.6 2,-0.3 -0.910 15.1 145.8-123.2 138.2 2.7 -6.5 24.2 46 49 A C E + c 0 91A 0 44,-1.9 46,-2.1 -2,-0.4 2,-0.3 -0.849 11.0 175.6-155.1-177.7 6.4 -6.0 23.4 47 50 A A E - c 0 92A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.901 38.7 -85.1-179.7 164.0 9.1 -7.5 21.1 48 51 A D E - c 0 93A 1 44,-1.4 46,-2.2 -2,-0.3 2,-0.8 -0.739 32.5-130.0 -85.9 145.3 12.7 -7.0 20.2 49 52 A D B +e 12 0B 0 -38,-2.9 -36,-2.3 -2,-0.3 -35,-0.2 -0.883 38.6 170.9 -92.4 105.4 13.6 -4.4 17.5 50 53 A A + 0 0 0 -2,-0.8 2,-0.2 -38,-0.2 -1,-0.1 0.346 32.8 87.1-111.1 6.4 15.8 -6.6 15.3 51 54 A H + 0 0 3 198,-0.1 185,-0.2 4,-0.1 4,-0.2 -0.584 47.9 70.4-106.2 168.5 16.6 -4.8 12.1 52 55 A G S > S- 0 0 1 183,-2.6 4,-2.2 -2,-0.2 5,-0.1 -0.355 78.3 -70.4 119.4 165.5 19.2 -2.4 10.7 53 56 A T H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.901 121.6 56.1 -61.4 -46.1 22.8 -1.8 9.6 54 57 A P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.921 111.4 45.2 -53.5 -44.7 24.3 -1.9 13.1 55 58 A I H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 111.5 51.7 -66.2 -44.2 22.8 -5.4 13.6 56 59 A M H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.967 113.5 44.5 -57.7 -50.3 23.9 -6.6 10.2 57 60 A L H X S+ 0 0 7 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.873 110.6 54.5 -64.0 -37.4 27.5 -5.5 10.8 58 61 A K H X S+ 0 0 74 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.935 108.7 48.2 -62.1 -48.7 27.6 -6.9 14.3 59 62 A A H X>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 4,-1.1 0.942 110.7 51.9 -56.0 -48.1 26.5 -10.3 13.1 60 63 A Q H ><5S+ 0 0 91 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.903 108.2 50.4 -56.2 -46.1 29.2 -10.2 10.3 61 64 A Q H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.1 48.7 -57.2 -37.7 31.9 -9.3 12.8 62 65 A L H 3<5S- 0 0 109 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.578 109.2-124.8 -79.5 -17.9 30.8 -12.3 15.0 63 66 A G T <<5S+ 0 0 66 -4,-1.1 2,-0.3 -3,-0.7 -3,-0.2 0.790 73.4 106.5 79.7 26.8 30.7 -14.7 12.0 64 67 A I S - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.353 33.1-122.6 -67.7 151.8 23.8 -15.0 10.7 66 69 A P H > S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.875 115.9 59.3 -61.8 -30.2 22.0 -12.0 11.9 67 70 A E H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.857 104.9 47.3 -64.8 -39.7 19.1 -14.4 12.6 68 71 A Q H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 113.2 48.3 -67.6 -47.2 21.3 -16.4 15.0 69 72 A M H X S+ 0 0 17 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.915 112.8 46.0 -59.1 -47.8 22.5 -13.3 16.8 70 73 A I H X S+ 0 0 16 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.839 109.5 56.5 -67.4 -30.9 19.0 -11.7 17.2 71 74 A G H X S+ 0 0 42 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.933 109.6 46.2 -64.7 -41.9 17.6 -15.1 18.4 72 75 A E H X S+ 0 0 112 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.928 113.5 47.2 -67.0 -42.7 20.3 -15.2 21.1 73 76 A M H X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.865 107.6 57.6 -70.3 -35.1 19.6 -11.6 22.2 74 77 A S H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.927 108.8 45.0 -57.5 -44.7 15.8 -12.2 22.2 75 78 A Q H X S+ 0 0 117 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.908 112.6 51.6 -66.6 -40.2 16.2 -15.0 24.7 76 79 A E H X S+ 0 0 75 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.949 111.9 47.5 -60.1 -48.4 18.6 -12.9 26.8 77 80 A H H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.915 112.6 47.5 -56.8 -48.0 16.1 -10.1 26.9 78 81 A Q H X S+ 0 0 65 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.867 108.5 55.4 -68.9 -34.0 13.1 -12.2 27.8 79 82 A T H X S+ 0 0 69 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.954 111.0 44.9 -60.6 -45.9 15.1 -14.0 30.5 80 83 A D H X S+ 0 0 12 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.920 113.7 48.0 -64.5 -48.1 15.9 -10.6 32.2 81 84 A F H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.0 0.923 110.8 52.0 -61.4 -38.9 12.3 -9.2 31.8 82 85 A A H ><5S+ 0 0 61 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.872 103.3 58.5 -63.2 -33.8 10.9 -12.5 33.3 83 86 A G H 3<5S+ 0 0 31 -4,-1.9 266,-0.3 1,-0.3 -1,-0.3 0.753 107.5 47.8 -67.8 -22.5 13.3 -12.1 36.2 84 87 A F T <<5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.285 115.2-118.9 -98.0 12.6 11.6 -8.7 36.9 85 88 A N T < 5 + 0 0 55 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.853 45.9 173.7 52.9 44.8 8.2 -10.2 36.6 86 89 A I < - 0 0 10 -5,-1.9 2,-1.6 1,-0.1 -1,-0.2 -0.741 26.8-143.3 -82.5 110.6 7.2 -8.0 33.6 87 90 A S + 0 0 23 -2,-0.7 -43,-0.2 -3,-0.1 -1,-0.1 -0.284 29.8 171.2 -81.2 48.4 3.8 -9.6 32.8 88 91 A Y - 0 0 43 -2,-1.6 -43,-0.2 1,-0.2 3,-0.1 -0.326 30.7-154.5 -56.6 145.8 3.7 -9.5 29.0 89 92 A D S S+ 0 0 55 -45,-2.6 2,-0.3 1,-0.3 -44,-0.2 0.716 86.1 9.0 -83.3 -25.7 0.9 -11.3 27.3 90 93 A N E -c 45 0A 11 -46,-1.5 -44,-1.9 2,-0.0 2,-0.4 -0.956 56.0-172.3-156.9 136.5 3.2 -11.6 24.2 91 94 A Y E +c 46 0A 20 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.974 31.1 152.8-127.8 106.9 6.9 -10.8 23.4 92 95 A H E -c 47 0A 35 -46,-2.1 -44,-1.4 -2,-0.4 2,-0.3 0.004 36.0 -99.6-117.2-143.6 7.6 -11.2 19.7 93 96 A S E -c 48 0A 23 -46,-0.3 6,-0.3 163,-0.1 -44,-0.2 -0.989 10.6-136.2-149.3 146.3 10.0 -9.8 17.2 94 97 A T S S+ 0 0 0 -46,-2.2 2,-1.2 -2,-0.3 -45,-0.1 0.676 103.8 71.9 -68.1 -21.3 10.1 -7.1 14.5 95 98 A H S S+ 0 0 48 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.758 81.6 107.4 -95.1 81.0 11.8 -9.8 12.4 96 99 A S S > S- 0 0 16 -2,-1.2 4,-2.1 1,-0.1 5,-0.1 -0.983 80.9-112.0-152.6 158.2 8.7 -11.9 11.9 97 100 A E H > S+ 0 0 106 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.851 116.5 56.0 -66.8 -35.4 6.2 -12.8 9.2 98 101 A E H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 111.7 42.9 -61.5 -44.4 3.4 -10.9 10.9 99 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 112.9 53.5 -68.8 -36.3 5.5 -7.7 10.9 100 103 A R H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.968 111.4 44.5 -60.2 -50.5 6.7 -8.3 7.3 101 104 A Q H X S+ 0 0 107 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.944 116.3 46.8 -64.8 -37.8 3.1 -8.6 6.1 102 105 A L H X S+ 0 0 15 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.839 111.1 50.6 -71.1 -36.8 1.9 -5.7 8.1 103 106 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 112.3 47.6 -63.8 -41.8 4.8 -3.5 7.0 104 107 A E H X S+ 0 0 66 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.901 113.2 49.8 -64.8 -38.6 4.2 -4.3 3.4 105 108 A L H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.940 111.9 45.2 -63.6 -57.4 0.5 -3.6 3.8 106 109 A I H X S+ 0 0 2 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.929 114.3 50.1 -58.5 -45.1 0.9 -0.2 5.5 107 110 A Y H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.935 111.8 47.0 -60.4 -48.7 3.5 0.8 2.9 108 111 A S H X S+ 0 0 59 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.893 113.6 48.6 -58.6 -42.7 1.3 -0.2 -0.0 109 112 A R H X S+ 0 0 98 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.924 112.7 48.3 -63.8 -43.0 -1.7 1.6 1.5 110 113 A L H <>S+ 0 0 2 -4,-3.0 5,-3.0 -5,-0.2 6,-0.3 0.904 114.9 46.0 -61.2 -40.3 0.5 4.7 2.1 111 114 A K H ><5S+ 0 0 98 -4,-2.6 3,-1.7 -5,-0.2 5,-0.4 0.938 111.2 49.4 -70.1 -49.3 1.7 4.6 -1.5 112 115 A E H 3<5S+ 0 0 159 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.9 55.6 -58.2 -27.1 -1.7 4.0 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A K T 3 S+ 0 0 111 30,-0.6 33,-0.2 1,-0.3 -1,-0.1 0.797 116.9 52.2 -60.9 -29.8 -10.5 2.8 12.8 281 284 A D T 3 S+ 0 0 135 31,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.145 79.9 144.4 -93.7 19.9 -13.8 2.2 14.7 282 285 A S < - 0 0 27 -3,-2.0 -5,-0.1 1,-0.1 -6,-0.1 -0.258 39.4-163.7 -59.7 147.2 -12.2 0.4 17.7 283 286 A T + 0 0 126 -7,-0.5 -280,-0.4 2,-0.1 2,-0.2 0.252 64.4 101.3-107.7 4.2 -13.7 0.9 21.2 284 287 A A S S- 0 0 1 -8,-0.6 2,-0.4 -282,-0.1 -280,-0.2 -0.535 73.9-121.2 -83.7 158.7 -10.5 -0.6 22.7 285 288 A E E -b 4 0A 50 -282,-2.9 -280,-3.1 -2,-0.2 2,-0.4 -0.856 19.2-159.4-101.8 148.9 -7.8 1.7 24.1 286 289 A L E +b 5 0A 1 -2,-0.4 29,-2.3 -282,-0.2 30,-1.5 -0.986 12.1 177.9-131.0 122.6 -4.2 1.7 22.9 287 290 A Y E -bd 6 316A 39 -282,-2.8 -280,-2.0 -2,-0.4 2,-0.5 -0.982 12.9-160.9-128.6 138.2 -1.3 3.1 25.0 288 291 A H E -bd 7 317A 0 28,-1.5 30,-2.9 -2,-0.4 2,-0.6 -0.962 6.2-156.7-118.9 120.0 2.4 3.3 24.3 289 292 A F E +bd 8 318A 0 -282,-2.7 -280,-0.7 -2,-0.5 2,-0.3 -0.882 34.0 154.6 -87.5 125.7 4.9 3.7 27.2 290 293 A I E - d 0 319A 0 28,-1.9 30,-1.9 -2,-0.6 2,-0.2 -0.928 41.2-106.7-146.0 172.4 8.0 5.2 25.7 291 294 A G E > - d 0 320A 13 -2,-0.3 3,-1.7 28,-0.2 30,-0.2 -0.575 37.9-105.9 -99.7 167.3 11.1 7.3 26.6 292 295 A K G > S+ 0 0 66 28,-1.1 3,-1.2 1,-0.3 4,-0.3 0.769 111.3 67.2 -71.7 -19.6 11.6 10.9 25.6 293 296 A D G 3 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.639 106.0 41.4 -72.5 -11.7 14.2 10.2 22.9 294 297 A I G <> S+ 0 0 11 -3,-1.7 4,-1.5 1,-0.1 -1,-0.2 0.141 78.9 105.8-120.6 21.5 11.7 8.4 20.7 295 298 A V H <> S+ 0 0 6 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.853 73.9 62.7 -69.2 -34.4 8.7 10.7 21.1 296 299 A Y H >>S+ 0 0 40 -4,-0.3 4,-1.9 1,-0.2 5,-1.2 0.960 106.8 43.8 -56.5 -43.1 9.3 12.1 17.5 297 300 A F H 4>S+ 0 0 46 1,-0.2 5,-2.3 3,-0.2 -1,-0.2 0.845 119.6 41.4 -69.4 -39.3 8.6 8.7 16.0 298 301 A H H <5S+ 0 0 0 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.671 121.2 38.2 -83.0 -22.9 5.6 7.9 18.2 299 302 A S H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -3,-0.2 -3,-0.2 0.630 131.6 16.9-104.9 -14.9 3.9 11.2 18.2 300 303 A L T X5S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 5,-0.2 0.662 129.1 34.3-120.9 -65.3 4.4 12.4 14.6 301 304 A F H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.906 115.5 52.7 -64.0 -33.7 -0.1 8.3 14.1 304 307 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.929 108.6 49.3 -64.9 -48.1 0.4 9.7 10.6 305 308 A M H X S+ 0 0 1 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.894 113.6 46.6 -52.6 -46.2 1.3 6.2 9.2 306 309 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 3,-0.7 0.959 113.5 47.2 -66.8 -47.1 -1.8 4.7 11.0 307 310 A E H ><5S+ 0 0 54 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.931 112.3 51.1 -56.1 -49.1 -4.1 7.4 9.7 308 311 A G H 3<5S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 114.1 43.5 -66.5 -16.0 -2.7 7.1 6.2 309 312 A S T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.131 118.5-105.4-115.8 16.5 -3.2 3.3 6.2 310 313 A N T < 5S+ 0 0 91 -3,-1.4 -30,-0.6 1,-0.2 2,-0.3 0.770 76.1 126.2 63.2 42.0 -6.7 3.3 7.7 311 314 A F B < -O 279 0H 14 -5,-2.6 -1,-0.2 -32,-0.2 -32,-0.2 -0.789 64.5 -97.6-117.5 162.3 -5.9 2.1 11.3 312 315 A R - 0 0 25 -34,-2.2 -32,-0.1 -2,-0.3 -1,-0.1 -0.304 39.4-128.2 -71.5 159.0 -6.8 3.7 14.6 313 316 A K - 0 0 64 -33,-0.2 -27,-0.2 1,-0.1 -1,-0.1 -0.642 38.6 -67.6-105.3 172.0 -4.2 5.8 16.4 314 317 A P - 0 0 4 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 -0.221 30.6-144.6 -57.1 140.0 -2.9 5.7 19.9 315 318 A S S S- 0 0 36 -29,-2.3 2,-0.3 1,-0.3 -28,-0.2 0.901 82.2 -18.7 -68.3 -36.8 -5.3 6.6 22.7 316 319 A N E -d 287 0A 26 -30,-1.5 -28,-1.5 2,-0.0 2,-0.4 -0.990 56.4-131.2-160.9 159.9 -2.4 8.2 24.5 317 320 A L E -d 288 0A 0 -2,-0.3 2,-0.6 -30,-0.2 -109,-0.4 -0.976 18.7-156.8-111.9 134.6 1.4 8.2 24.7 318 321 A F E -d 289 0A 8 -30,-2.9 -28,-1.9 -2,-0.4 2,-0.4 -0.947 16.8-168.2-111.7 108.7 2.8 7.8 28.3 319 322 A V E -d 290 0A 1 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.780 6.9-169.9-107.0 139.5 6.3 9.3 28.3 320 323 A H E -d 291 0A 14 -30,-1.9 -28,-1.1 -2,-0.4 44,-0.2 -0.823 20.3-117.4-118.2 163.5 9.0 9.0 31.0 321 324 A G - 0 0 1 44,-0.9 45,-0.2 -2,-0.3 2,-0.1 0.077 43.6 -74.2 -84.5-168.3 12.3 10.7 31.6 322 325 A Y - 0 0 74 -31,-0.1 45,-2.7 -30,-0.0 2,-0.3 -0.507 42.9-115.1 -80.7 162.8 15.8 9.2 31.7 323 326 A V E -p 367 0I 12 43,-0.2 7,-0.4 -2,-0.1 2,-0.3 -0.758 30.4-172.2 -92.1 143.5 17.2 7.1 34.5 324 327 A T E -p 368 0I 15 43,-2.0 45,-2.8 -2,-0.3 2,-0.4 -0.900 13.9-145.3-125.5 155.4 20.2 8.5 36.5 325 328 A V E > S-pQ 369 328I 2 3,-2.7 3,-1.9 -2,-0.3 45,-0.2 -1.000 85.7 -6.2-122.9 128.8 22.2 6.7 39.1 326 329 A N T 3 S- 0 0 63 43,-2.6 44,-0.2 -2,-0.4 -1,-0.1 0.825 132.3 -58.9 56.0 29.2 23.5 8.8 42.0 327 330 A G T 3 S+ 0 0 52 1,-0.2 2,-0.3 42,-0.1 -1,-0.3 0.281 119.1 88.5 90.0 -8.2 22.2 11.8 40.2 328 331 A A B < S-Q 325 0I 55 -3,-1.9 -3,-2.7 1,-0.1 -1,-0.2 -0.817 88.3 -82.9-121.1 160.8 24.2 11.4 37.0 329 332 A K S S- 0 0 128 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.267 70.6 -80.3 -51.3 149.9 23.8 9.7 33.7 330 333 A M - 0 0 35 -7,-0.4 2,-0.5 1,-0.1 7,-0.2 -0.255 51.7-155.1 -58.6 137.1 24.9 6.1 34.0 331 334 A S >>> - 0 0 20 1,-0.1 5,-2.5 -3,-0.1 6,-0.7 -0.948 19.8-160.7-125.8 119.3 28.7 5.8 33.9 332 335 A K G >45S+ 0 0 157 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.887 96.6 53.6 -60.6 -35.7 30.6 2.7 32.8 333 336 A S G 345S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 211,-0.0 0.776 111.9 42.6 -74.6 -30.2 33.7 4.0 34.6 334 337 A R G <45S- 0 0 172 -3,-0.6 -1,-0.3 209,-0.0 -2,-0.2 0.438 114.2-116.6 -91.1 -1.8 32.0 4.5 37.9 335 338 A G T <<5S+ 0 0 0 -3,-0.8 208,-0.3 -4,-0.7 209,-0.2 0.774 83.4 118.8 71.7 31.2 30.1 1.2 37.6 336 339 A T < + 0 0 10 -5,-2.5 2,-1.1 207,-0.1 -4,-0.2 0.372 43.2 95.2-107.7 4.8 26.7 2.8 37.5 337 340 A F - 0 0 55 -6,-0.7 2,-0.5 -7,-0.2 -1,-0.1 -0.825 67.0-175.0 -90.9 97.6 25.9 1.5 34.0 338 341 A I - 0 0 0 -2,-1.1 -319,-1.9 4,-0.0 -318,-0.2 -0.878 20.3-143.5-110.9 123.6 24.0 -1.5 35.3 339 342 A K B > -F 18 0C 71 -2,-0.5 4,-2.5 -321,-0.2 -321,-0.3 -0.499 23.0-122.4 -71.9 155.9 22.5 -4.3 33.3 340 343 A A H > S+ 0 0 0 -323,-2.6 4,-1.7 1,-0.2 -322,-0.1 0.891 114.0 53.2 -65.2 -39.6 19.2 -5.9 34.4 341 344 A S H > S+ 0 0 42 -324,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.886 108.8 49.2 -63.2 -45.7 20.9 -9.3 34.6 342 345 A T H >> S+ 0 0 26 1,-0.2 3,-1.4 2,-0.2 4,-0.7 0.956 105.9 57.2 -59.1 -44.1 23.6 -7.9 36.9 343 346 A W H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 3,-1.8 0.920 102.5 55.1 -48.6 -48.5 21.0 -6.2 39.2 344 347 A L H 3< S+ 0 0 53 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.674 98.0 62.2 -69.2 -17.5 19.3 -9.6 39.8 345 348 A N H << S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.702 118.5 27.8 -70.5 -26.6 22.6 -11.2 41.0 346 349 A H H << S+ 0 0 47 -3,-1.8 2,-0.3 -4,-0.7 -2,-0.2 0.752 127.3 18.4-104.6 -42.1 22.6 -8.6 43.9 347 350 A F S < S- 0 0 11 -4,-2.7 -1,-0.3 184,-0.0 2,-0.1 -0.918 76.6-104.4-130.8 163.9 19.0 -7.6 44.7 348 351 A D > - 0 0 48 -2,-0.3 4,-0.8 1,-0.1 3,-0.2 -0.371 32.7-114.3 -82.4 172.3 15.5 -8.9 44.0 349 352 A A H > S+ 0 0 0 -266,-0.3 4,-2.6 1,-0.2 3,-0.5 0.894 109.4 65.6 -69.9 -40.7 13.2 -7.4 41.4 350 353 A D H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.837 95.6 57.1 -50.6 -41.5 10.7 -6.1 44.0 351 354 A S H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 111.2 40.0 -59.5 -49.8 13.2 -3.7 45.5 352 355 A L H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.5 5,-0.4 0.885 114.1 55.6 -65.5 -40.8 13.9 -1.8 42.3 353 356 A R H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.954 111.3 44.4 -55.1 -47.2 10.2 -2.0 41.3 354 357 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.921 113.1 50.1 -61.6 -51.2 9.3 -0.3 44.6 355 358 A Y H X S+ 0 0 3 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.914 113.6 43.5 -56.9 -51.9 12.0 2.3 44.4 356 359 A Y H >X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 3,-1.1 0.927 113.5 53.2 -59.6 -43.5 11.1 3.5 40.9 357 360 A T H 3< S+ 0 0 0 -4,-2.2 3,-0.3 -5,-0.4 81,-0.2 0.913 103.8 55.8 -62.9 -37.7 7.4 3.4 41.6 358 361 A A H 3< S+ 0 0 25 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.706 115.7 38.9 -66.1 -24.1 7.9 5.6 44.7 359 362 A K H << S+ 0 0 80 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.604 93.9 99.9 -97.1 -24.1 9.5 8.2 42.4 360 363 A L < + 0 0 4 -4,-1.7 75,-2.4 -3,-0.3 2,-0.2 -0.344 42.5 168.8 -69.6 153.4 7.4 8.0 39.3 361 364 A S - 0 0 31 2,-0.4 72,-0.2 73,-0.2 4,-0.1 -0.814 51.1 -88.4-145.3-171.2 4.7 10.5 38.4 362 365 A S S S+ 0 0 26 -2,-0.2 -43,-0.2 2,-0.1 2,-0.2 0.456 100.7 80.5 -89.0 5.4 2.5 11.4 35.4 363 366 A R S S- 0 0 127 69,-0.1 2,-0.7 -155,-0.1 -2,-0.4 -0.507 89.9-104.3-103.5 177.4 5.1 13.9 34.2 364 367 A I + 0 0 11 -44,-0.2 2,-0.3 -2,-0.2 -44,-0.1 -0.877 61.5 139.5 -93.3 107.6 8.3 13.5 32.2 365 368 A D - 0 0 72 -2,-0.7 -44,-0.9 -4,-0.1 -4,-0.1 -0.932 57.8 -98.5-149.6 141.5 11.1 13.9 34.7 366 369 A D - 0 0 74 -2,-0.3 2,-0.6 -45,-0.2 -43,-0.2 -0.368 35.6-138.5 -56.7 145.0 14.3 12.0 35.1 367 370 A I E -p 323 0I 11 -45,-2.7 -43,-2.0 2,-0.0 2,-0.5 -0.947 13.9-149.0-110.9 121.3 14.2 9.3 37.8 368 371 A D E -p 324 0I 36 -2,-0.6 2,-1.1 -45,-0.2 -43,-0.2 -0.765 9.5-156.3-101.0 127.9 17.2 9.0 40.0 369 372 A L E -p 325 0I 0 -45,-2.8 -43,-2.6 -2,-0.5 2,-0.8 -0.846 16.5-170.8 -93.4 90.1 18.3 5.7 41.5 370 373 A N > - 0 0 50 -2,-1.1 4,-2.3 -45,-0.2 5,-0.1 -0.861 10.7-154.4 -84.2 114.5 20.2 7.1 44.5 371 374 A L H > S+ 0 0 2 -2,-0.8 4,-1.7 1,-0.2 5,-0.2 0.880 91.0 48.7 -66.5 -35.9 21.9 4.0 45.8 372 375 A E H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 114.9 46.3 -64.3 -44.4 22.3 5.1 49.4 373 376 A D H > S+ 0 0 42 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.815 104.8 63.0 -67.0 -33.3 18.6 6.2 49.4 374 377 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.940 106.5 42.9 -57.3 -49.2 17.6 2.9 47.8 375 378 A V H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 156,-0.3 0.923 116.8 46.9 -62.8 -47.8 18.9 0.9 50.8 376 379 A Q H X S+ 0 0 91 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.931 115.0 46.3 -64.8 -37.7 17.4 3.3 53.3 377 380 A R H X S+ 0 0 88 -4,-3.3 4,-2.7 2,-0.2 5,-0.5 0.889 112.1 47.1 -73.7 -44.6 14.0 3.5 51.5 378 381 A V H X>S+ 0 0 0 -4,-2.3 5,-1.7 -5,-0.2 4,-1.5 0.919 116.2 45.9 -63.8 -43.9 13.5 -0.3 50.9 379 382 A N H <>S+ 0 0 5 -4,-2.1 5,-2.2 -5,-0.3 -2,-0.2 0.931 117.7 43.2 -64.9 -41.9 14.4 -1.0 54.5 380 383 A A H <5S+ 0 0 31 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.922 126.2 28.5 -68.9 -47.1 12.2 1.7 55.9 381 384 A D H X>S+ 0 0 21 -4,-2.7 5,-2.3 -5,-0.2 4,-0.6 0.918 129.4 29.9 -85.6 -49.5 9.2 1.2 53.8 382 385 A I I <>S+ 0 0 0 -4,-1.5 5,-3.0 -5,-0.5 6,-0.4 0.961 130.6 29.8 -77.8 -57.2 9.1 -2.5 52.8 383 386 A V I 4XS+ 0 0 23 -5,-1.7 5,-0.7 1,-0.2 -3,-0.2 0.953 131.6 30.7 -69.4 -52.1 10.7 -4.2 55.7 384 387 A N I 4>> S+ 0 0 0 -3,-0.7 4,-1.6 -4,-0.3 -2,-0.2 0.740 100.7 70.2-114.3 -32.4 1.8 -10.2 64.6 394 397 A A H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.797 90.7 62.7 -60.1 -41.0 1.9 -13.6 62.9 395 398 A G H X S+ 0 0 29 -4,-0.6 4,-3.1 -5,-0.2 5,-0.3 0.945 105.5 45.2 -53.6 -53.2 4.1 -15.3 65.5 396 399 A F H >>S+ 0 0 45 -4,-0.2 4,-2.6 2,-0.2 5,-0.7 0.930 113.3 49.7 -57.1 -47.1 1.6 -14.9 68.3 397 400 A I H X5S+ 0 0 0 -4,-1.6 6,-2.4 1,-0.2 4,-1.5 0.933 116.0 42.8 -58.8 -47.5 -1.3 -16.0 66.1 398 401 A N H <5S+ 0 0 35 -4,-2.7 4,-0.5 4,-0.2 -2,-0.2 0.934 122.1 37.6 -66.2 -42.2 0.5 -19.1 65.0 399 402 A K H <5S+ 0 0 146 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.906 130.9 22.8 -79.6 -43.7 2.0 -20.0 68.4 400 403 A R H <5S+ 0 0 90 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.641 130.2 36.9 -96.7 -21.9 -0.8 -19.2 70.8 401 404 A F S ><> + 0 0 42 1,-0.1 4,-2.1 62,-0.1 3,-0.5 -0.703 66.2 174.0-135.7 80.7 -11.1 -1.6 65.6 412 415 A P H 3> S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.836 81.6 55.8 -56.4 -34.6 -13.8 -1.5 62.9 413 416 A Q H 3> S+ 0 0 162 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.827 106.5 48.6 -65.6 -45.7 -13.4 2.3 62.5 414 417 A L H <> S+ 0 0 10 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.903 110.7 52.4 -60.4 -42.3 -9.7 2.1 61.9 415 418 A Y H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.871 106.3 53.2 -59.6 -42.9 -10.3 -0.7 59.3 416 419 A K H X S+ 0 0 123 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.899 102.1 59.1 -61.9 -33.9 -12.9 1.5 57.5 417 420 A T H X S+ 0 0 68 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.913 109.0 45.7 -59.1 -42.4 -10.3 4.3 57.3 418 421 A F H >< S+ 0 0 0 -4,-1.4 3,-0.7 2,-0.2 -2,-0.2 0.908 114.6 44.6 -68.8 -44.6 -8.1 1.9 55.3 419 422 A T H >< S+ 0 0 9 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.861 107.1 61.4 -74.1 -24.7 -10.8 0.6 53.0 420 423 A D H 3< S+ 0 0 90 -4,-3.0 3,-0.4 1,-0.3 4,-0.4 0.664 94.8 63.1 -68.7 -23.5 -12.1 4.2 52.4 421 424 A A T S+ 0 0 11 -3,-1.6 4,-2.9 1,-0.2 5,-0.3 0.914 81.4 53.4 -56.1 -40.9 -9.2 2.6 48.1 423 426 A E H > S+ 0 0 141 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.925 111.6 42.2 -60.3 -52.0 -10.7 5.2 45.7 424 427 A V H > S+ 0 0 52 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.888 116.8 48.9 -65.2 -37.6 -7.9 7.8 46.0 425 428 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 112.2 46.7 -67.6 -47.7 -5.2 5.2 45.8 426 429 A G H X S+ 0 0 2 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.897 110.2 54.7 -62.9 -36.6 -6.7 3.4 42.7 427 430 A E H X S+ 0 0 114 -4,-2.2 4,-2.3 -5,-0.3 6,-0.3 0.860 108.1 50.2 -62.6 -33.8 -7.2 6.9 41.1 428 431 A A H <>S+ 0 0 6 -4,-1.5 5,-1.9 2,-0.2 4,-0.4 0.910 111.2 46.7 -73.4 -40.0 -3.4 7.5 41.6 429 432 A W H ><5S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.942 114.6 49.6 -62.8 -44.2 -2.4 4.2 40.1 430 433 A E H 3<5S+ 0 0 81 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.895 111.6 45.7 -64.8 -39.2 -4.8 4.9 37.2 431 434 A S T 3<5S- 0 0 50 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.374 113.8-116.0 -84.6 6.6 -3.5 8.4 36.6 432 435 A R T < 5S+ 0 0 31 -3,-1.3 2,-1.8 -4,-0.4 3,-0.3 0.662 72.3 138.9 66.3 18.0 0.1 7.1 36.8 433 436 A E >< + 0 0 65 -5,-1.9 4,-1.8 -6,-0.3 -1,-0.2 -0.509 18.7 158.8 -87.8 66.4 0.7 9.3 39.9 434 437 A F H > + 0 0 0 -2,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.854 66.0 56.8 -60.3 -39.7 2.7 6.4 41.4 435 438 A G H > S+ 0 0 6 -75,-2.4 4,-2.2 -3,-0.3 -1,-0.2 0.908 107.9 49.2 -61.0 -41.0 4.6 8.6 43.8 436 439 A K H > S+ 0 0 71 -76,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 109.5 51.3 -65.1 -41.2 1.2 9.8 45.2 437 440 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.919 110.5 47.8 -62.3 -49.9 -0.1 6.3 45.6 438 441 A V H X S+ 0 0 5 -4,-2.5 4,-3.0 -81,-0.2 5,-0.2 0.896 109.7 54.0 -59.4 -40.7 2.9 5.1 47.5 439 442 A R H X S+ 0 0 152 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 110.9 45.4 -61.9 -40.3 2.7 8.2 49.8 440 443 A E H X S+ 0 0 59 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.861 113.7 49.9 -66.1 -40.1 -0.9 7.4 50.6 441 444 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 111.9 47.0 -66.8 -40.8 -0.1 3.7 51.2 442 445 A M H X S+ 0 0 13 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.818 108.0 55.7 -74.5 -27.9 2.9 4.5 53.5 443 446 A A H X S+ 0 0 57 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.926 109.8 47.3 -69.3 -36.8 0.8 7.1 55.5 444 447 A L H X S+ 0 0 18 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.935 109.4 53.8 -64.1 -44.3 -1.7 4.2 56.1 445 448 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.888 106.7 52.2 -58.6 -37.9 1.2 2.0 57.0 446 449 A D H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.904 109.7 49.0 -61.6 -45.5 2.3 4.6 59.6 447 450 A L H X S+ 0 0 51 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.874 110.6 50.0 -59.4 -43.8 -1.2 4.6 61.1 448 451 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 111.6 48.4 -63.7 -36.8 -1.3 0.8 61.3 449 452 A N H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.883 110.4 51.4 -73.5 -32.1 2.0 0.8 63.0 450 453 A R H X S+ 0 0 87 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.910 107.8 53.8 -64.8 -45.5 0.8 3.5 65.4 451 454 A Y H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.959 110.5 45.2 -51.4 -55.1 -2.2 1.3 66.1 452 455 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.906 113.0 51.0 -58.4 -46.8 -0.1 -1.6 67.0 453 456 A D H < S+ 0 0 84 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.923 107.8 52.5 -56.9 -43.3 2.2 0.6 69.1 454 457 A E H < S+ 0 0 106 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 112.9 45.2 -65.7 -26.4 -0.8 2.0 71.0 455 458 A Q H < S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 5,-0.2 0.698 93.9-153.5 -87.9 -21.4 -2.0 -1.6 71.8 456 459 A A >X - 0 0 17 -4,-1.6 3,-2.6 -3,-0.3 4,-2.2 0.879 15.8-175.9 49.6 66.5 1.5 -2.8 72.8 457 460 A P H 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.764 80.2 65.3 -59.2 -34.2 1.2 -6.5 72.1 458 461 A W H 34 S+ 0 0 149 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.701 110.7 38.2 -63.9 -19.8 4.7 -7.1 73.5 459 462 A V H X4 S+ 0 0 42 -3,-2.6 3,-1.2 2,-0.1 4,-0.3 0.813 114.6 51.0 -92.2 -45.1 3.2 -6.0 76.9 460 463 A V H >< S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.3 6,-0.2 0.880 101.9 65.5 -58.0 -35.4 -0.3 -7.7 76.6 461 464 A A T 3< S+ 0 0 17 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.769 102.7 45.0 -61.1 -28.8 1.5 -10.9 75.6 462 465 A K T < S+ 0 0 166 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.3 0.347 100.3 92.1 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