==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-APR-06 2DKD . COMPND 2 MOLECULE: PHOSPHOACETYLGLUCOSAMINE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR Y.NISHITANI,D.MARUYAMA,T.NONAKA,A.KITA,T.A.FUKAMI,T.MIO, . 1071 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.1 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 . 51 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 353 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 0 2 2 2 2 5 2 1 7 2 2 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 1 5 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 . 4 0 2 8 2 4 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 . 2 2 2 2 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 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 0 102 0, 0.0 2,-0.0 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 102.1 43.7 -9.1 54.7 2 2 A S > - 0 0 41 1,-0.1 4,-2.5 150,-0.1 5,-0.2 -0.244 360.0-102.2 -74.9 169.6 40.5 -11.1 54.6 3 3 A I H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 121.8 53.5 -60.7 -41.7 37.5 -10.2 52.5 4 4 A E H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.963 111.4 45.8 -57.0 -53.8 35.6 -8.8 55.5 5 5 A Q H > S+ 0 0 124 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.910 114.3 45.7 -56.6 -50.8 38.5 -6.5 56.4 6 6 A T H >< S+ 0 0 15 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.937 114.6 48.6 -62.2 -45.4 39.3 -5.2 52.9 7 7 A L H >X S+ 0 0 4 -4,-2.5 4,-2.9 144,-0.3 3,-1.9 0.914 103.1 60.6 -60.3 -45.2 35.6 -4.6 52.2 8 8 A S H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.726 95.2 65.5 -56.6 -22.2 35.0 -2.7 55.5 9 9 A Q T << S+ 0 0 128 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.734 119.1 18.0 -75.3 -21.2 37.6 -0.2 54.4 10 10 A Y T X4 S+ 0 0 35 -3,-1.9 3,-1.4 -4,-0.4 4,-0.3 0.636 100.5 88.0-121.0 -25.5 35.5 1.1 51.5 11 11 A L G >< S+ 0 0 29 -4,-2.9 3,-1.8 1,-0.3 -3,-0.1 0.854 87.3 54.8 -44.5 -48.1 31.9 -0.0 52.2 12 12 A P G 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.806 97.6 63.3 -60.5 -30.1 31.0 3.1 54.3 13 13 A S G < S+ 0 0 77 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.0 0.523 104.1 54.2 -72.6 -2.7 32.0 5.5 51.5 14 14 A H < - 0 0 8 -3,-1.8 -1,-0.2 -4,-0.3 -4,-0.0 -0.561 68.0-177.5-136.5 76.4 29.3 4.0 49.4 15 15 A P - 0 0 97 0, 0.0 23,-0.3 0, 0.0 22,-0.0 -0.352 26.9-123.0 -68.9 152.1 25.7 3.9 50.8 16 16 A K - 0 0 54 22,-0.1 2,-0.2 21,-0.1 20,-0.0 -0.795 19.5-115.5-101.5 140.5 23.0 2.3 48.7 17 17 A P > - 0 0 39 0, 0.0 3,-0.6 0, 0.0 2,-0.0 -0.469 35.6-117.9 -72.1 140.3 19.8 4.0 47.5 18 18 A Q T 3 S+ 0 0 95 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 -0.271 81.9 17.3 -78.8 162.8 16.5 2.6 48.9 19 19 A G T 3 S+ 0 0 91 1,-0.1 2,-0.4 -2,-0.0 -1,-0.2 0.565 90.8 120.9 55.8 18.2 13.6 1.0 47.0 20 20 A V < - 0 0 53 -3,-0.6 2,-0.5 78,-0.0 -1,-0.1 -0.933 46.4-157.4-119.9 134.9 15.5 0.3 43.8 21 21 A T - 0 0 119 -2,-0.4 2,-0.2 -3,-0.1 77,-0.1 -0.921 16.8-155.9-107.6 123.4 16.1 -3.0 42.0 22 22 A F - 0 0 7 -2,-0.5 2,-0.3 72,-0.2 76,-0.1 -0.566 8.5-167.8 -98.3 161.5 19.0 -3.1 39.6 23 23 A T - 0 0 100 -2,-0.2 2,-0.8 5,-0.1 7,-0.3 -0.898 17.1-144.4-153.2 119.5 19.7 -5.3 36.6 24 24 A Y + 0 0 10 66,-0.4 5,-0.2 -2,-0.3 70,-0.1 -0.733 52.9 123.2 -82.2 112.4 22.9 -5.9 34.5 25 25 A G B > -A 28 0A 26 3,-1.6 3,-1.7 -2,-0.8 -1,-0.1 -0.078 61.6 -1.1-135.5-126.3 21.7 -6.4 31.0 26 26 A T T 3 S+ 0 0 105 482,-0.5 483,-0.1 1,-0.3 3,-0.1 0.746 142.4 14.1 -48.8 -31.6 22.0 -5.2 27.4 27 27 A A T 3 S- 0 0 14 1,-0.6 -1,-0.3 481,-0.2 48,-0.3 -0.237 108.6-110.9-142.0 48.0 24.4 -2.4 28.4 28 28 A G B < S-A 25 0A 7 -3,-1.7 -3,-1.6 46,-0.1 -1,-0.6 -0.285 82.1 -13.4 56.6-142.0 25.5 -3.4 31.9 29 29 A F E S+B 75 0B 1 46,-2.1 46,-2.3 -5,-0.2 2,-0.3 -0.811 73.6 168.1 -93.1 130.0 24.1 -1.0 34.5 30 30 A R E +B 74 0B 62 -2,-0.5 2,-0.2 -7,-0.3 44,-0.2 -0.947 19.6 109.9-146.5 119.9 22.7 2.2 33.0 31 31 A M E S-B 73 0B 39 42,-2.0 42,-2.3 -2,-0.3 2,-0.3 -0.869 71.1 -32.6-164.7-166.9 20.6 4.7 35.0 32 32 A K E > -B 72 0B 91 40,-0.2 3,-2.4 -2,-0.2 40,-0.3 -0.511 57.3-126.3 -68.4 129.9 20.7 8.2 36.5 33 33 A A G > S+ 0 0 17 38,-2.4 3,-1.8 1,-0.3 4,-0.4 0.832 105.6 64.5 -46.7 -39.9 24.2 9.0 37.7 34 34 A D G 3 S+ 0 0 122 37,-0.4 -1,-0.3 1,-0.3 38,-0.1 0.419 104.9 45.3 -69.8 4.6 23.0 9.9 41.2 35 35 A K G < S+ 0 0 91 -3,-2.4 -1,-0.3 2,-0.1 4,-0.2 0.085 98.6 73.1-129.8 20.6 21.9 6.2 41.8 36 36 A L <> + 0 0 0 -3,-1.8 4,-3.1 2,-0.1 5,-0.3 0.495 65.1 90.4-114.5 -7.0 24.9 4.5 40.4 37 37 A D H > S+ 0 0 55 -4,-0.4 4,-1.4 1,-0.2 -21,-0.1 0.936 95.8 37.7 -58.2 -50.4 27.6 5.0 43.0 38 38 A Y H > S+ 0 0 1 -23,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.925 117.8 52.7 -67.5 -42.5 26.9 1.9 45.1 39 39 A V H > S+ 0 0 0 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.955 110.1 44.4 -57.4 -55.8 26.2 -0.1 41.9 40 40 A T H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.815 108.1 62.2 -62.0 -26.9 29.4 0.7 40.2 41 41 A F H >X S+ 0 0 0 -4,-1.4 4,-1.1 -5,-0.3 3,-0.7 0.963 105.3 44.9 -60.8 -51.1 31.2 0.1 43.5 42 42 A T H 3X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.811 105.4 62.2 -64.3 -29.1 30.0 -3.5 43.4 43 43 A V H 3X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.856 98.6 56.4 -65.1 -31.3 31.0 -3.8 39.7 44 44 A G H S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 6,-0.7 0.942 113.3 45.1 -59.3 -50.1 39.9 -11.8 37.0 52 52 A K H ><5S+ 0 0 0 -4,-2.4 3,-1.9 3,-0.2 69,-0.3 0.892 109.2 55.9 -61.0 -42.1 40.7 -14.2 39.8 53 53 A Y H 3<5S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.0 48.7 -58.0 -37.1 38.1 -16.7 38.5 54 54 A L T ><5S- 0 0 11 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.3 0.007 127.3 -99.8 -92.9 26.2 40.0 -16.6 35.2 55 55 A Q T < 5S- 0 0 42 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.789 80.6 -47.8 63.6 30.1 43.4 -17.1 36.9 56 56 A G T 3 - 0 0 0 -2,-0.3 3,-2.3 1,-0.3 2,-0.4 0.023 39.8-144.7-126.5 20.0 26.1 5.6 29.1 66 66 A S T 3 S- 0 0 7 1,-0.3 -1,-0.3 8,-0.1 218,-0.1 -0.302 75.1 -6.1 57.0-105.9 26.9 5.9 25.4 67 67 A H T 3 S+ 0 0 56 -2,-0.4 -1,-0.3 217,-0.1 -3,-0.0 0.313 102.1 121.8-104.2 6.7 24.3 8.2 23.8 68 68 A N S < S- 0 0 39 -3,-2.3 -3,-0.1 1,-0.1 216,-0.0 -0.091 75.0 -77.3 -62.4 167.4 22.1 8.6 26.9 69 69 A P > - 0 0 52 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.308 47.0-102.1 -68.5 155.6 21.4 12.1 28.3 70 70 A P T 3 S+ 0 0 26 0, 0.0 67,-0.3 0, 0.0 66,-0.3 0.739 115.0 62.5 -44.5 -38.3 24.1 13.9 30.4 71 71 A E T 3 S+ 0 0 101 179,-0.1 -38,-2.4 65,-0.1 -37,-0.4 0.623 98.0 65.3 -71.8 -13.7 22.5 13.1 33.8 72 72 A D E < +B 32 0B 6 -3,-2.0 2,-0.3 -40,-0.3 -40,-0.2 -0.434 56.9 172.1 -99.2 179.5 22.8 9.4 33.4 73 73 A N E -B 31 0B 0 -42,-2.3 -42,-2.0 -9,-0.1 2,-0.3 -0.934 8.1-163.4-168.6 178.3 25.9 7.1 33.3 74 74 A G E -B 30 0B 0 -2,-0.3 -10,-1.8 -44,-0.2 2,-0.3 -0.977 11.0-135.8-164.4 174.4 26.6 3.4 33.3 75 75 A V E -BD 29 63B 0 -46,-2.3 -46,-2.1 -2,-0.3 2,-0.3 -0.997 15.5-179.2-146.7 138.3 29.2 0.7 33.7 76 76 A K E - D 0 62B 27 -14,-1.6 -14,-2.3 -2,-0.3 2,-0.4 -0.965 21.3-130.3-135.1 152.2 30.0 -2.5 31.8 77 77 A V E - D 0 61B 0 -2,-0.3 8,-2.2 -16,-0.2 2,-0.5 -0.860 14.5-154.1-106.3 139.1 32.6 -5.2 32.3 78 78 A V E -ED 84 60B 1 -18,-2.9 -18,-2.1 -2,-0.4 6,-0.2 -0.948 13.7-135.3-114.9 124.6 34.9 -6.5 29.5 79 79 A D > - 0 0 11 4,-2.5 3,-2.5 -2,-0.5 4,-0.2 -0.243 38.0 -87.9 -71.4 165.6 36.3 -10.0 29.6 80 80 A P T 3 S+ 0 0 13 0, 0.0 96,-0.3 0, 0.0 97,-0.2 0.743 124.4 53.6 -42.2 -40.8 40.0 -10.8 28.8 81 81 A L T 3 S- 0 0 120 3,-0.1 92,-0.1 2,-0.1 3,-0.1 0.541 121.1-102.2 -78.2 -7.3 39.5 -11.1 25.0 82 82 A G S < S+ 0 0 1 -3,-2.5 2,-0.2 1,-0.4 91,-0.1 0.529 85.9 121.9 97.6 6.4 37.9 -7.7 24.7 83 83 A S S S- 0 0 60 -4,-0.2 -4,-2.5 1,-0.1 -1,-0.4 -0.624 72.9 -83.6 -96.7 161.2 34.4 -9.2 24.4 84 84 A M B -E 78 0B 68 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.206 63.6 -71.0 -64.4 156.2 31.6 -8.3 26.9 85 85 A L - 0 0 5 -8,-2.2 -1,-0.2 1,-0.1 5,-0.1 -0.122 65.8 -89.6 -46.2 136.8 31.3 -10.1 30.2 86 86 A E >> - 0 0 44 -3,-0.1 3,-1.8 1,-0.1 4,-0.5 -0.217 36.9-119.9 -52.0 136.7 30.2 -13.7 29.9 87 87 A S H >> S+ 0 0 47 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.827 108.6 58.8 -47.4 -46.4 26.3 -13.9 30.0 88 88 A S H 34 S+ 0 0 58 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.674 102.6 55.9 -62.9 -17.8 26.2 -16.2 33.0 89 89 A W H <> S+ 0 0 4 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.593 84.6 78.2 -91.3 -11.8 28.0 -13.6 35.1 90 90 A E H S+ 0 0 59 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.909 109.6 51.3 -65.5 -42.9 26.2 -12.4 39.7 93 93 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.912 110.4 50.9 -59.8 -41.0 26.8 -8.7 39.0 94 94 A T H X S+ 0 0 17 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.881 107.0 52.8 -64.1 -40.0 23.1 -8.1 39.5 95 95 A D H < S+ 0 0 48 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.780 108.6 50.4 -68.3 -27.9 23.0 -10.0 42.8 96 96 A L H >< S+ 0 0 0 -4,-1.6 3,-0.8 -3,-0.2 -2,-0.2 0.920 110.9 47.9 -74.9 -43.7 25.8 -7.9 44.2 97 97 A A H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.824 114.2 47.3 -65.5 -32.1 24.1 -4.6 43.2 98 98 A N T 3< S+ 0 0 40 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.494 93.7 98.6 -88.3 -4.2 20.8 -5.8 44.8 99 99 A A S < S- 0 0 0 -3,-0.8 7,-0.2 -4,-0.3 -3,-0.1 -0.349 79.5-114.1 -76.1 164.5 22.5 -7.0 47.9 100 100 A S B -g 106 0C 48 5,-2.5 7,-2.4 1,-0.1 8,-0.2 -0.899 10.8-151.9-105.5 124.7 22.5 -4.7 51.0 101 101 A P S S+ 0 0 27 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 0.879 82.0 10.9 -60.1 -38.0 25.8 -3.3 52.3 102 102 A S 0 0 76 1,-0.2 5,-0.0 5,-0.1 0, 0.0 -0.940 360.0 360.0-139.3 160.5 24.5 -3.1 55.9 103 103 A P 0 0 171 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.879 360.0 360.0 -76.9 360.0 21.5 -4.4 57.9 104 ! 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 0.0 105 112 A N 0 0 132 0, 0.0 -5,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 16.7 21.3 -10.8 51.6 106 113 A S B >> -g 100 0C 37 -7,-0.2 4,-2.4 1,-0.1 3,-0.8 -0.500 360.0-121.5 -72.8 142.1 24.2 -8.7 52.9 107 114 A L H 3> S+ 0 0 0 -7,-2.4 4,-2.3 1,-0.3 5,-0.2 0.915 113.1 51.2 -46.6 -53.0 26.8 -7.7 50.3 108 115 A V H 3> S+ 0 0 33 -7,-0.3 4,-2.0 -8,-0.2 -1,-0.3 0.815 111.4 48.2 -58.3 -32.3 29.6 -9.5 52.2 109 116 A E H <> S+ 0 0 80 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.886 109.2 51.4 -76.2 -39.5 27.6 -12.7 52.4 110 117 A V H X S+ 0 0 19 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.885 111.9 49.1 -63.2 -39.1 26.6 -12.7 48.7 111 118 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.950 109.9 49.2 -65.9 -49.6 30.3 -12.3 47.9 112 119 A K H X S+ 0 0 78 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.851 110.5 52.6 -59.5 -33.8 31.4 -15.1 50.1 113 120 A N H X S+ 0 0 89 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.892 110.1 47.1 -68.5 -40.5 28.7 -17.3 48.5 114 121 A L H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.932 111.3 51.6 -64.2 -47.2 30.0 -16.5 45.0 115 122 A V H X>S+ 0 0 26 -4,-2.7 5,-2.0 1,-0.2 4,-0.9 0.889 116.4 40.6 -56.7 -42.2 33.6 -17.2 46.1 116 123 A S H <5S+ 0 0 81 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.927 115.8 47.4 -75.4 -48.1 32.6 -20.6 47.5 117 124 A D H <5S+ 0 0 58 -4,-3.0 779,-0.3 1,-0.2 -2,-0.2 0.907 122.5 34.9 -61.3 -43.0 30.2 -21.7 44.8 118 125 A L H <5S- 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.631 105.9-124.5 -87.6 -14.2 32.5 -20.8 41.9 119 126 A K T <5 - 0 0 66 -4,-0.9 2,-0.4 -5,-0.3 -3,-0.2 0.925 39.3-177.8 70.2 46.4 35.7 -21.7 43.8 120 127 A I < - 0 0 9 -5,-2.0 2,-1.0 -6,-0.3 -1,-0.2 -0.656 21.7-138.3 -79.5 129.3 37.3 -18.3 43.3 121 128 A D > - 0 0 74 -2,-0.4 3,-1.7 -69,-0.3 -1,-0.1 -0.771 13.6-168.2 -94.2 100.6 40.9 -18.2 44.7 122 129 A L T 3 S+ 0 0 40 -2,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.660 84.2 65.0 -61.0 -17.4 41.3 -14.9 46.5 123 130 A S T 3 S+ 0 0 77 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.728 79.0 94.6 -79.3 -21.4 45.1 -15.5 46.8 124 131 A I S < S- 0 0 30 -3,-1.7 -68,-0.1 1,-0.1 -72,-0.1 -0.592 91.7-111.3 -70.8 120.5 45.4 -15.3 43.0 125 132 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 30,-0.2 -0.311 30.8-138.8 -56.5 127.0 46.4 -11.7 42.1 126 133 A A E - f 0 155B 0 28,-2.8 30,-2.7 -4,-0.2 2,-0.4 -0.630 12.9-159.8 -88.1 147.6 43.5 -10.0 40.3 127 134 A N E +cf 58 156B 48 -70,-0.5 -68,-2.0 -2,-0.3 2,-0.3 -0.977 19.7 161.9-132.1 118.1 44.3 -7.7 37.4 128 135 A V E -cf 59 157B 3 28,-2.3 30,-1.7 -2,-0.4 2,-0.3 -0.970 19.9-159.0-138.6 151.4 41.8 -5.1 36.3 129 136 A V E -cf 60 158B 3 -70,-1.8 -68,-2.0 -2,-0.3 2,-0.3 -0.956 9.1-164.1-129.4 147.8 41.7 -1.9 34.2 130 137 A I E +cf 61 159B 0 28,-2.1 30,-2.7 -2,-0.3 31,-0.4 -0.954 11.4 167.8-135.0 151.6 39.3 1.0 34.1 131 138 A A E -c 62 0B 0 -70,-1.5 -68,-2.2 -2,-0.3 2,-0.3 -0.945 12.3-158.2-151.2 168.2 38.4 3.9 31.9 132 139 A R E -cf 63 162B 56 29,-2.2 31,-2.0 -2,-0.3 -68,-0.2 -0.986 15.2-122.2-151.8 158.1 35.6 6.5 31.5 133 140 A D - 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0 0 36 -16,-3.1 4,-3.0 -2,-0.4 5,-0.3 -0.484 32.8-122.2 -64.3 134.4 38.6 -16.1 11.3 391 398 A P H > S+ 0 0 107 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.889 110.7 42.1 -45.8 -51.6 41.9 -16.8 13.1 392 399 A E H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.845 113.8 53.0 -69.1 -32.7 43.1 -19.5 10.7 393 400 A A H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 107.1 52.1 -67.3 -42.7 41.9 -17.4 7.7 394 401 A E H X S+ 0 0 46 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.874 108.8 50.9 -61.0 -36.4 43.9 -14.4 8.9 395 402 A K H X S+ 0 0 125 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.916 108.9 50.5 -67.7 -42.4 47.0 -16.6 9.2 396 403 A K H X S+ 0 0 103 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.900 109.3 52.3 -61.0 -40.7 46.5 -17.9 5.6 397 404 A I H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.7 42.7 -62.9 -41.0 46.2 -14.3 4.5 398 405 A F H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 114.8 50.0 -78.1 -25.7 49.5 -13.3 6.2 399 406 A D H < S+ 0 0 101 -4,-2.3 2,-0.4 -5,-0.1 -2,-0.2 0.642 85.6 107.4 -85.0 -16.3 51.3 -16.5 5.0 400 407 A Y < - 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0 0 9 5,-0.2 3,-0.4 1,-0.2 -35,-0.1 -0.693 32.1-176.2 -84.4 99.8 38.9 -3.1 15.1 423 430 A Q S S+ 0 0 31 -2,-1.1 -1,-0.2 -5,-0.3 3,-0.1 0.655 77.1 62.0 -70.2 -14.4 38.3 -6.8 15.3 424 431 A T S S- 0 0 20 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.863 119.2 -22.2 -79.8 -37.8 37.7 -6.6 19.0 425 432 A V S S- 0 0 16 -3,-0.4 -1,-0.3 -38,-0.1 -38,-0.1 -0.980 82.5 -67.5-167.1 161.1 34.6 -4.3 19.0 426 433 A G - 0 0 1 -2,-0.3 2,-0.4 -40,-0.1 -40,-0.2 -0.401 53.3-172.4 -58.5 126.8 32.8 -1.7 16.9 427 434 A D > - 0 0 0 -42,-0.6 4,-3.1 1,-0.1 -140,-0.2 -0.960 22.1-160.9-132.1 113.2 35.0 1.3 16.8 428 435 A A H > S+ 0 0 0 -142,-1.8 4,-2.1 -2,-0.4 -141,-0.2 0.892 96.1 47.3 -58.4 -43.3 33.9 4.7 15.3 429 436 A I H > S+ 0 0 0 -143,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.934 115.5 44.0 -65.0 -48.5 37.5 5.9 14.9 430 437 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.914 113.8 52.2 -62.4 -43.1 38.7 2.7 13.3 431 438 A D H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.872 108.4 50.9 -61.4 -38.8 35.5 2.6 11.1 432 439 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.911 110.5 47.0 -67.9 -42.7 36.1 6.1 9.9 433 440 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.907 113.9 50.2 -64.4 -38.6 39.7 5.5 8.9 434 441 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 111.3 47.4 -63.8 -46.1 38.5 2.3 7.2 435 442 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.963 113.7 49.3 -58.7 -50.2 35.8 4.2 5.4 436 443 A L H X S+ 0 0 3 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.913 114.7 42.0 -56.7 -48.1 38.3 6.9 4.4 437 444 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.849 113.7 54.0 -71.2 -31.7 40.9 4.5 3.0 438 445 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.948 110.2 43.5 -68.3 -48.9 38.3 2.3 1.3 439 446 A V H <>S+ 0 0 17 -4,-2.6 5,-2.8 1,-0.2 4,-0.5 0.845 115.5 51.9 -66.0 -29.2 36.6 5.1 -0.7 440 447 A H H <5S+ 0 0 38 -4,-1.4 3,-0.4 -5,-0.3 -2,-0.2 0.927 111.4 45.9 -69.9 -43.9 40.1 6.4 -1.5 441 448 A Y H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.935 118.8 40.9 -63.3 -48.3 41.2 2.9 -2.7 442 449 A L T <5S- 0 0 33 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.471 109.2-126.5 -79.3 -3.4 38.0 2.4 -4.8 443 450 A K T 5 + 0 0 151 -4,-0.5 2,-0.4 -3,-0.4 -3,-0.2 0.916 52.8 159.7 57.7 47.3 38.2 6.0 -5.9 444 451 A L < - 0 0 37 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.815 35.3-147.1-105.6 141.7 34.6 6.7 -4.8 445 452 A S > - 0 0 46 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.558 40.5-101.9 -91.4 164.7 33.1 10.1 -4.1 446 453 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.907 128.2 51.5 -56.0 -35.5 30.4 10.1 -1.4 447 454 A S H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -3,-0.0 0.915 105.7 53.0 -65.3 -44.5 27.9 10.2 -4.2 448 455 A D H 4 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.884 112.6 45.5 -58.3 -41.1 29.5 7.2 -6.0 449 456 A W H >< S+ 0 0 3 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.942 111.4 50.8 -66.9 -49.4 29.3 5.2 -2.8 450 457 A D H >< S+ 0 0 13 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.781 102.4 64.4 -60.3 -27.3 25.7 6.2 -2.1 451 458 A N T 3< S+ 0 0 123 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.509 74.8 88.4 -78.0 -4.8 24.8 5.3 -5.6 452 459 A E T < S- 0 0 71 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.865 109.7 -12.1 -61.6 -36.2 25.5 1.5 -5.2 453 460 A Y < - 0 0 18 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.2 -0.971 69.7-122.2-159.1 157.4 21.9 1.0 -3.9 454 461 A T - 0 0 110 -2,-0.3 -3,-0.1 -3,-0.1 -111,-0.0 -0.926 24.7-125.9-115.3 119.7 19.0 3.2 -2.9 455 462 A D - 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0 0 2 -70,-1.8 152,-0.1 -2,-0.3 31,-0.1 -0.226 46.3 -86.4 -94.2-170.8 27.3 -48.3 15.8 672 141 B S S S+ 0 0 16 150,-0.3 118,-0.1 -2,-0.1 -70,-0.1 0.275 74.7 135.2 -84.6 10.9 26.6 -52.1 15.9 673 142 B R > - 0 0 2 -72,-0.2 3,-1.3 1,-0.1 -64,-0.1 -0.278 66.0-119.9 -61.3 145.6 22.9 -51.9 16.9 674 143 B E T 3 S+ 0 0 160 1,-0.3 4,-0.3 -66,-0.2 -1,-0.1 0.829 114.8 46.1 -54.0 -33.6 20.7 -54.2 14.9 675 144 B S T 3> S+ 0 0 27 -67,-0.3 4,-2.4 -65,-0.2 -1,-0.3 0.581 87.6 90.6 -87.8 -11.0 18.7 -51.2 13.7 676 145 B S H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.891 81.5 54.2 -54.6 -47.9 21.7 -49.1 12.7 677 146 B P H > S+ 0 0 55 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.950 114.0 41.1 -53.3 -52.5 22.1 -50.2 9.1 678 147 B A H > S+ 0 0 59 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.900 115.2 50.9 -62.7 -42.3 18.4 -49.4 8.3 679 148 B L H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.822 108.5 53.0 -66.9 -29.9 18.5 -46.1 10.2 680 149 B S H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.924 109.3 48.0 -70.1 -43.9 21.7 -45.0 8.4 681 150 B M H X S+ 0 0 114 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.902 110.9 52.1 -62.9 -39.4 20.1 -45.6 5.0 682 151 B A H X S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.910 109.5 48.6 -62.8 -42.9 17.0 -43.7 6.2 683 152 B T H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.896 109.1 54.1 -63.5 -39.2 19.2 -40.8 7.2 684 153 B I H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.792 102.4 56.1 -66.7 -28.9 21.0 -41.0 3.9 685 154 B D H X S+ 0 0 37 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.877 106.6 52.7 -68.3 -34.4 17.6 -40.7 2.1 686 155 B G H >< S+ 0 0 0 -4,-1.4 3,-1.3 2,-0.2 4,-0.4 0.952 105.4 53.1 -61.9 -48.8 17.3 -37.5 4.1 687 156 B F H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.935 112.8 43.9 -49.2 -53.4 20.7 -36.3 2.8 688 157 B Q H 3< S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.542 96.0 75.4 -74.0 -7.1 19.6 -36.9 -0.8 689 158 B S T << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.7 -144,-0.2 0.585 89.1 72.0 -78.6 -8.5 16.2 -35.3 -0.2 690 159 B V S < S- 0 0 3 -3,-1.4 3,-0.2 -4,-0.4 -26,-0.1 -0.920 95.7-111.0-108.6 129.1 18.0 -32.0 -0.2 691 160 B P S S+ 0 0 7 0, 0.0 -27,-0.2 0, 0.0 -2,-0.1 -0.273 92.5 14.8 -62.4 142.0 19.3 -30.7 -3.6 692 161 B N S S+ 0 0 79 1,-0.2 -28,-2.8 -29,-0.1 2,-0.4 0.983 85.3 152.2 60.0 63.8 23.1 -30.6 -4.3 693 162 B T E -w 664 0I 23 -3,-0.2 2,-0.4 -30,-0.2 -1,-0.2 -0.990 28.0-166.5-129.1 129.3 24.2 -32.8 -1.4 694 163 B K E -w 665 0I 99 -30,-2.9 -28,-2.3 -2,-0.4 2,-0.3 -0.943 15.0-177.0-112.6 131.7 27.4 -35.0 -1.3 695 164 B Y E -w 666 0I 84 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.890 17.9-156.4-129.1 160.9 27.7 -37.6 1.5 696 165 B Q E -w 667 0I 128 -30,-1.3 -28,-2.2 -2,-0.3 2,-0.6 -0.996 11.5-150.4-134.3 136.1 30.3 -40.1 2.7 697 166 B D E -w 668 0I 70 -2,-0.4 -28,-0.2 -30,-0.2 -30,-0.0 -0.931 13.7-178.8-113.6 112.2 29.4 -43.2 4.7 698 167 B F E - 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