==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-FEB-10 3LVW . COMPND 2 MOLECULE: GLUTAMATE--CYSTEINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.I.BITEROVA,J.J.BARYCKI . 672 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0.1 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 . 36 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 4 1 3 3 2 1 2 2 0 1 1 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 2 0 7 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 2 A G 0 0 44 0, 0.0 2,-0.2 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0 171.5 -9.6 32.2 -5.6 2 3 A L - 0 0 65 76,-0.2 2,-0.4 91,-0.1 91,-0.0 -0.518 360.0-104.4 -76.8 153.8 -6.6 29.9 -4.8 3 4 A L - 0 0 70 -2,-0.2 -1,-0.1 1,-0.1 192,-0.0 -0.734 48.7-113.6 -68.4 127.3 -5.9 26.8 -6.9 4 5 A A - 0 0 88 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.306 39.7 -90.8 -65.1 154.0 -7.0 23.9 -4.5 5 6 A L + 0 0 161 189,-0.0 2,-0.3 188,-0.0 -1,-0.1 -0.202 55.8 137.4 -74.4 154.2 -4.3 21.5 -3.2 6 7 A G - 0 0 16 417,-0.0 188,-0.1 416,-0.0 189,-0.0 -0.971 50.9 -95.3-174.6 170.5 -2.9 18.2 -4.6 7 8 A T - 0 0 90 -2,-0.3 415,-2.0 187,-0.0 416,-0.3 -0.923 38.5-142.8-103.0 120.2 0.2 16.1 -5.4 8 9 A P B -A 421 0A 30 0, 0.0 2,-0.4 0, 0.0 413,-0.2 -0.347 13.2-125.3 -72.4 156.2 1.5 16.5 -8.9 9 10 A L - 0 0 20 411,-1.6 411,-0.4 -2,-0.1 193,-0.1 -0.881 24.5-121.8-100.3 135.6 2.9 13.5 -10.8 10 11 A Q > - 0 0 78 -2,-0.4 4,-2.2 1,-0.1 3,-0.4 -0.371 32.5-103.9 -70.8 160.2 6.5 13.9 -12.1 11 12 A W H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.898 119.4 52.9 -55.9 -47.3 6.7 13.5 -15.9 12 13 A F H 4 S+ 0 0 108 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.881 117.6 40.2 -57.6 -36.7 8.3 10.0 -15.8 13 14 A E H 4 S+ 0 0 115 -3,-0.4 3,-0.3 1,-0.1 -1,-0.2 0.825 118.1 47.6 -78.6 -30.1 5.4 8.9 -13.6 14 15 A S H >< S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.784 90.1 76.4 -86.5 -32.1 2.6 11.0 -15.5 15 16 A R G >< S+ 0 0 67 -4,-2.7 3,-1.9 1,-0.3 4,-0.3 0.778 82.0 69.2 -53.1 -32.2 3.3 10.1 -19.1 16 17 A T G 3 S+ 0 0 106 -3,-0.3 -1,-0.3 -4,-0.3 4,-0.1 0.358 100.6 50.8 -72.4 9.7 1.7 6.6 -18.8 17 18 A Y G <> S+ 0 0 73 -3,-1.9 4,-3.4 2,-0.1 -1,-0.3 0.335 75.6 105.1-122.3 3.1 -1.6 8.4 -18.4 18 19 A N H <> S+ 0 0 14 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.921 87.4 40.6 -51.7 -49.6 -1.4 10.6 -21.5 19 20 A E H > S+ 0 0 58 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.895 113.6 53.0 -72.7 -37.8 -3.9 8.6 -23.4 20 21 A H H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 111.9 47.4 -58.9 -47.2 -6.2 8.0 -20.5 21 22 A I H X S+ 0 0 2 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.932 113.3 46.3 -61.8 -48.9 -6.3 11.8 -19.9 22 23 A R H X S+ 0 0 17 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.959 112.7 50.7 -57.5 -52.3 -7.0 12.7 -23.5 23 24 A D H X S+ 0 0 57 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.924 114.7 41.9 -50.3 -50.5 -9.7 10.0 -23.8 24 25 A E H X S+ 0 0 47 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.831 111.4 56.0 -74.7 -29.9 -11.6 11.1 -20.8 25 26 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 410,-0.3 -1,-0.2 0.908 106.2 50.7 -66.3 -41.6 -11.2 14.7 -21.5 26 27 A I H X S+ 0 0 5 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.953 108.1 52.4 -61.6 -50.9 -12.8 14.2 -24.9 27 28 A E H X S+ 0 0 33 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.923 109.7 50.2 -47.4 -49.2 -15.7 12.4 -23.3 28 29 A Q H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.922 108.2 51.9 -58.9 -40.8 -16.0 15.4 -21.0 29 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.962 108.9 51.2 -61.3 -47.1 -16.0 17.8 -24.0 30 31 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.954 108.9 50.3 -55.5 -52.6 -18.8 15.7 -25.5 31 32 A Y H X S+ 0 0 51 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.863 109.0 53.3 -49.8 -39.2 -20.9 15.9 -22.3 32 33 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.898 111.1 45.1 -64.5 -44.6 -20.4 19.7 -22.4 33 34 A F H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.929 113.0 51.2 -60.2 -44.7 -21.7 20.0 -25.9 34 35 A Q H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.6 37.5 -63.7 -40.6 -24.6 17.7 -25.1 35 36 A A H < S+ 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.808 134.8 16.4 -80.6 -35.6 -25.5 19.8 -22.1 36 37 A A H >< S+ 0 0 0 -4,-2.8 3,-2.2 421,-0.2 239,-0.2 0.460 87.0 104.6-124.1 -2.9 -24.8 23.4 -23.3 37 38 A G T 3< S+ 0 0 23 -4,-2.7 238,-0.3 -5,-0.4 -3,-0.1 0.734 85.6 51.1 -50.1 -24.6 -24.5 23.2 -27.1 38 39 A K T 3 S+ 0 0 187 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.287 73.5 132.3-105.4 12.3 -28.0 24.8 -27.3 39 40 A R < + 0 0 4 -3,-2.2 236,-0.4 417,-0.1 2,-0.3 -0.304 33.1 177.3 -55.3 146.8 -27.6 27.8 -25.1 40 41 A D + 0 0 80 418,-0.2 234,-0.2 234,-0.1 -2,-0.0 -0.962 49.4 27.8-150.9 162.1 -28.9 31.0 -26.7 41 42 A N S S+ 0 0 135 -2,-0.3 233,-0.2 1,-0.2 -1,-0.1 0.653 70.7 168.6 58.9 14.8 -29.4 34.6 -26.0 42 43 A D - 0 0 6 231,-1.9 -1,-0.2 230,-0.1 420,-0.1 -0.356 36.2-117.1 -51.9 133.7 -26.5 34.5 -23.6 43 44 A P - 0 0 50 0, 0.0 2,-2.1 0, 0.0 422,-0.2 -0.364 25.5 -96.0 -79.2 164.6 -25.8 38.2 -22.8 44 45 A L + 0 0 16 226,-0.1 67,-2.5 -2,-0.1 2,-0.3 -0.477 56.6 164.3 -80.2 70.9 -22.5 40.0 -23.5 45 46 A F E +B 110 0B 54 -2,-2.1 226,-1.7 65,-0.2 2,-0.3 -0.702 11.1 164.6 -80.7 140.8 -20.8 39.6 -20.2 46 47 A W E -BC 109 270B 8 63,-2.2 63,-2.6 -2,-0.3 2,-0.3 -0.951 16.0-178.0-152.7 169.5 -17.1 40.3 -20.4 47 48 A G E - C 0 269B 14 222,-2.0 222,-3.0 -2,-0.3 2,-0.2 -0.955 18.8-128.3-169.2 152.3 -14.0 41.0 -18.3 48 49 A D E - C 0 268B 2 -2,-0.3 2,-0.4 220,-0.2 220,-0.2 -0.600 12.6-150.0 -96.3 159.4 -10.3 41.8 -18.3 49 50 A E E - C 0 267B 47 218,-2.1 218,-2.0 -2,-0.2 2,-0.3 -0.992 13.2-165.3-126.0 131.6 -7.4 40.1 -16.4 50 51 A L E -F 103 0C 0 53,-2.2 53,-1.9 -2,-0.4 2,-0.4 -0.817 5.7-151.7-109.1 155.6 -4.3 42.1 -15.4 51 52 A E E -F 102 0C 11 214,-0.3 2,-0.3 -2,-0.3 51,-0.2 -0.982 14.2-165.7-130.8 137.1 -1.0 40.7 -14.2 52 53 A Y E -F 101 0C 0 49,-3.3 49,-2.1 -2,-0.4 2,-0.5 -0.888 15.4-145.8-124.5 151.7 1.3 42.5 -11.9 53 54 A M E -FG 100 153C 0 100,-2.7 100,-2.5 -2,-0.3 2,-0.7 -0.982 17.3-139.5-115.7 125.6 4.9 42.4 -10.7 54 55 A V E - G 0 152C 8 45,-2.8 13,-2.9 -2,-0.5 2,-0.5 -0.769 23.8-163.6 -84.4 114.8 5.8 43.3 -7.2 55 56 A V E -HG 66 151C 0 96,-3.1 96,-2.8 -2,-0.7 2,-0.8 -0.887 12.7-146.2-102.4 130.3 9.0 45.3 -7.4 56 57 A D E -HG 65 150C 1 9,-2.5 9,-2.3 -2,-0.5 2,-0.7 -0.868 15.8-154.3 -94.3 104.0 11.2 45.9 -4.2 57 58 A F E -HG 64 149C 0 92,-3.4 92,-2.3 -2,-0.8 2,-0.8 -0.792 9.5-169.7 -83.7 115.0 12.8 49.3 -4.6 58 59 A D E >> +HG 63 148C 30 5,-2.2 5,-1.9 -2,-0.7 4,-0.8 -0.859 8.4 178.6-100.2 88.7 16.1 49.5 -2.7 59 60 A D T 45S+ 0 0 57 -2,-0.8 3,-0.2 88,-0.7 -1,-0.1 0.822 74.2 57.5 -69.1 -29.7 16.7 53.2 -3.0 60 61 A K T 45S+ 0 0 167 87,-0.4 -1,-0.2 1,-0.2 88,-0.1 0.974 116.6 33.3 -66.9 -49.1 19.8 53.2 -0.9 61 62 A E T 45S- 0 0 133 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.505 105.4-126.7 -80.2 0.1 21.6 50.7 -3.2 62 63 A R T <5 + 0 0 97 -4,-0.8 2,-0.4 -3,-0.2 573,-0.3 0.933 66.0 133.1 46.5 53.0 19.9 52.0 -6.4 63 64 A N E < -H 58 0C 9 -5,-1.9 -5,-2.2 572,-0.1 2,-0.6 -0.990 43.7-159.8-132.4 121.5 18.7 48.5 -7.2 64 65 A S E +H 57 0C 1 567,-0.4 2,-0.3 -2,-0.4 -7,-0.2 -0.930 23.2 175.7-102.4 122.1 15.1 47.4 -8.2 65 66 A M E -H 56 0C 15 -9,-2.3 -9,-2.5 -2,-0.6 2,-0.3 -0.740 37.6 -99.9-117.3 164.3 14.4 43.8 -7.7 66 67 A L E -Hi 55 167C 0 100,-3.1 102,-1.9 -2,-0.3 2,-0.8 -0.693 39.1-129.9 -76.1 137.5 11.5 41.4 -8.0 67 68 A D + 0 0 3 -13,-2.9 -13,-0.3 -2,-0.3 3,-0.2 -0.854 34.1 169.4 -99.8 111.1 10.1 40.8 -4.6 68 69 A V + 0 0 3 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 0.056 65.3 69.8-104.0 19.1 9.7 37.1 -4.1 69 70 A C S S+ 0 0 44 1,-0.1 3,-0.3 2,-0.1 -1,-0.1 0.589 83.0 59.5-116.0 -11.7 8.9 37.5 -0.4 70 71 A H > + 0 0 16 1,-0.2 3,-1.7 -3,-0.2 4,-0.1 0.027 64.6 122.8-103.0 32.7 5.5 39.0 0.0 71 72 A D T > + 0 0 32 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.661 51.8 81.1 -72.6 -16.7 3.8 36.2 -1.9 72 73 A K T >> S+ 0 0 78 -3,-0.3 4,-2.9 1,-0.3 3,-0.9 0.655 70.2 88.3 -56.7 -19.4 1.4 35.4 1.1 73 74 A I H <> S+ 0 0 3 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.881 82.4 54.6 -48.6 -40.0 -0.6 38.3 -0.3 74 75 A L H <4 S+ 0 0 4 -3,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.794 110.9 44.2 -68.2 -28.5 -2.5 35.9 -2.6 75 76 A T H X4 S+ 0 0 61 -3,-0.9 3,-1.1 -4,-0.4 4,-0.2 0.918 113.8 49.2 -81.5 -44.1 -3.5 33.7 0.3 76 77 A E H ><>S+ 0 0 34 -4,-2.9 5,-2.3 1,-0.3 3,-1.8 0.924 107.5 53.6 -58.9 -44.0 -4.5 36.5 2.5 77 78 A L T 3<5S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.3 8,-0.2 0.671 112.4 47.6 -67.1 -13.0 -6.6 38.2 -0.1 78 79 A N T < 5S+ 0 0 40 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.261 123.1 26.3-110.6 10.0 -8.5 34.9 -0.5 79 80 A M T X 5S+ 0 0 119 -3,-1.8 3,-1.6 -4,-0.2 4,-0.4 0.249 132.0 7.6-130.8 -98.2 -9.1 34.2 3.2 80 81 A E T 3 5S+ 0 0 121 1,-0.3 3,-0.2 2,-0.1 -3,-0.2 0.707 136.2 42.7 -79.0 -15.9 -9.3 36.8 5.8 81 82 A D T 3> S+ 0 0 32 -3,-1.6 4,-2.2 -6,-0.3 5,-0.1 0.866 78.2 56.2 -65.4 -33.9 -11.6 38.1 0.9 83 84 A S H > S+ 0 0 78 -4,-0.4 4,-1.9 1,-0.2 5,-0.3 0.884 101.6 56.7 -61.4 -41.6 -14.4 40.3 2.2 84 85 A L H > S+ 0 0 60 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.931 110.1 48.1 -49.7 -40.4 -12.3 43.4 1.4 85 86 A C H <>S+ 0 0 6 -4,-1.3 5,-2.2 -8,-0.2 4,-0.3 0.892 112.0 44.3 -73.5 -42.2 -12.2 42.0 -2.1 86 87 A E H ><5S+ 0 0 131 -4,-2.2 3,-2.6 1,-0.3 -1,-0.2 0.967 107.2 57.0 -74.8 -54.5 -15.8 41.3 -2.6 87 88 A A H 3<5S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.835 114.9 44.3 -34.7 -37.1 -17.1 44.5 -1.2 88 89 A N T 3<5S- 0 0 44 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.3 0.447 110.3-121.7 -99.4 4.6 -14.8 46.0 -3.9 89 90 A D T < 5S+ 0 0 33 -3,-2.6 17,-1.5 -4,-0.3 18,-0.4 0.886 71.7 120.1 58.1 39.2 -15.8 43.7 -6.8 90 91 A V E < -J 105 0C 2 -5,-2.2 2,-0.3 15,-0.3 -1,-0.2 -0.905 42.4-165.5-125.8 162.3 -12.2 42.5 -7.3 91 92 A S E -J 104 0C 25 13,-2.2 13,-2.4 -2,-0.3 2,-0.3 -0.990 7.2-150.8-148.1 140.9 -10.7 39.1 -7.2 92 93 A F E +J 103 0C 1 -2,-0.3 11,-0.3 11,-0.2 -7,-0.0 -0.927 13.9 179.2-119.2 141.6 -7.0 38.0 -7.1 93 94 A H E -J 102 0C 42 9,-3.2 9,-2.0 -2,-0.3 2,-0.1 -0.937 29.9-104.1-138.1 157.8 -5.3 34.8 -8.4 94 95 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.457 32.7-168.7 -76.7 149.6 -1.8 33.3 -8.5 95 96 A E - 0 0 40 2,-0.5 96,-0.2 5,-0.3 5,-0.2 -0.758 43.3 -82.2-125.9 177.8 0.3 33.3 -11.6 96 97 A Y S S+ 0 0 3 165,-0.3 95,-3.2 -2,-0.2 166,-0.2 0.895 106.2 79.0 -47.8 -52.1 3.6 31.5 -12.6 97 98 A G B > S-K 190 0D 0 164,-0.5 3,-1.2 93,-0.2 -2,-0.5 -0.322 70.5-147.9 -62.9 132.3 5.8 34.2 -10.9 98 99 A R T 3 S+ 0 0 35 91,-2.4 92,-0.2 1,-0.2 -1,-0.1 0.801 108.3 48.0 -61.9 -25.5 6.3 34.1 -7.1 99 100 A Y T 3 S+ 0 0 3 90,-0.5 -45,-2.8 -30,-0.1 2,-0.3 0.274 99.1 97.7 -94.4 3.8 6.5 37.9 -7.5 100 101 A M E < -F 53 0C 1 -3,-1.2 2,-0.4 -47,-0.2 -5,-0.3 -0.664 51.2-165.0 -99.9 153.4 3.4 38.1 -9.7 101 102 A L E -F 52 0C 3 -49,-2.1 -49,-3.3 -2,-0.3 2,-0.4 -0.976 2.5-162.7-125.9 147.7 -0.2 38.9 -9.0 102 103 A E E +FJ 51 93C 17 -9,-2.0 -9,-3.2 -2,-0.4 2,-0.3 -0.983 16.4 171.6-120.1 142.4 -3.2 38.3 -11.2 103 104 A A E +FJ 50 92C 0 -53,-1.9 -53,-2.2 -2,-0.4 -11,-0.2 -0.998 7.8 173.5-152.1 147.0 -6.5 40.2 -10.5 104 105 A T E - J 0 91C 19 -13,-2.4 -13,-2.2 -2,-0.3 -55,-0.1 -0.877 46.8 -79.9-143.0 167.8 -9.8 40.5 -12.3 105 106 A P E - J 0 90C 10 0, 0.0 -15,-0.3 0, 0.0 -16,-0.1 -0.414 40.3-124.6 -68.4 158.1 -13.2 42.1 -11.4 106 107 A A S S+ 0 0 48 -17,-1.5 -16,-0.2 1,-0.2 -17,-0.1 0.789 95.9 31.7 -75.2 -25.6 -15.3 39.8 -9.1 107 108 A S S S- 0 0 66 -18,-0.4 -1,-0.2 -16,-0.0 -61,-0.0 -0.997 94.3-103.9-128.9 144.0 -18.2 40.0 -11.6 108 109 A P - 0 0 74 0, 0.0 -61,-0.2 0, 0.0 2,-0.2 -0.183 37.5-115.0 -58.2 144.7 -18.2 40.3 -15.4 109 110 A Y E -B 46 0B 7 -63,-2.6 -63,-2.2 -4,-0.0 2,-0.5 -0.510 25.8-131.3 -70.8 153.2 -19.1 43.7 -16.8 110 111 A L E -B 45 0B 78 -65,-0.2 -65,-0.2 -2,-0.2 -63,-0.0 -0.956 56.3 -51.8-116.6 117.3 -22.3 43.7 -18.8 111 112 A N S S+ 0 0 70 -67,-2.5 2,-0.3 -2,-0.5 -65,-0.1 -0.204 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29.3-118.9-132.3 144.3 -1.1 48.3 -44.7 548 549 A S E > -T 529 0L 23 -2,-0.3 4,-2.9 -19,-0.2 5,-0.2 -0.364 38.3-104.7 -70.1 165.7 0.8 50.1 -41.9 549 550 A I H > S+ 0 0 0 -21,-0.6 4,-2.8 -25,-0.4 5,-0.3 0.910 123.7 57.7 -56.8 -40.0 -0.7 50.1 -38.4 550 551 A S H > S+ 0 0 41 -25,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.937 110.5 41.2 -59.1 -45.5 -1.7 53.7 -39.0 551 552 A E H > S+ 0 0 65 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.891 110.7 58.1 -67.5 -41.0 -3.7 52.7 -42.1 552 553 A I H < S+ 0 0 0 -4,-2.9 8,-3.0 1,-0.2 -2,-0.2 0.856 114.4 38.1 -57.8 -37.1 -5.1 49.6 -40.3 553 554 A F H < S+ 0 0 0 -4,-2.8 8,-2.7 6,-0.3 -1,-0.2 0.858 130.5 26.7 -80.0 -33.7 -6.5 51.9 -37.6 554 555 A H H < S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.565 77.1 118.1-115.7 -9.4 -7.6 54.7 -39.8 555 556 A N X - 0 0 38 -4,-3.3 4,-2.5 1,-0.1 3,-0.3 -0.381 55.7-139.8 -58.1 131.2 -8.5 53.8 -43.5 556 557 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.881 99.3 51.3 -55.6 -37.4 -12.1 54.6 -44.4 557 558 A E T 4 S- 0 0 113 1,-0.2 -21,-0.5 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A K G < S+ 0 0 76 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.849 106.2 37.5 -53.6 -26.9 -14.3 65.2 -27.1 584 585 A H G < S+ 0 0 158 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.425 90.6 115.2-106.7 -2.9 -17.4 67.3 -26.5 585 586 A S < - 0 0 30 -3,-0.8 4,-0.2 -4,-0.4 7,-0.1 -0.335 53.3-153.2 -63.6 145.3 -19.7 64.7 -25.0 586 587 A S S > S+ 0 0 111 2,-0.1 3,-1.0 1,-0.1 -1,-0.1 0.946 96.1 38.0 -80.3 -59.8 -20.8 65.2 -21.3 587 588 A K T 3 S+ 0 0 177 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.737 127.0 35.6 -57.5 -27.5 -21.4 61.5 -20.5 588 589 A H T 3> + 0 0 32 1,-0.2 4,-1.2 -14,-0.1 3,-0.4 0.084 66.0 123.3-128.0 23.9 -18.4 60.2 -22.6 589 590 A E H X> S+ 0 0 70 -3,-1.0 4,-1.3 -4,-0.2 3,-0.9 0.917 78.8 54.8 -55.8 -41.2 -15.5 62.6 -22.4 590 591 A R H 3> S+ 0 0 16 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.857 100.0 59.2 -65.8 -35.4 -13.2 59.8 -21.1 591 592 A L H 3> S+ 0 0 3 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.842 101.6 57.1 -60.9 -31.3 -14.0 57.5 -24.0 592 593 A Y H S+ 0 0 21 -4,-2.9 6,-1.7 -5,-0.2 5,-1.0 0.840 113.0 44.3 -63.5 -36.3 -2.2 58.7 -31.5 601 602 A R H ><5S+ 0 0 1 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.862 110.8 54.6 -73.0 -36.7 -0.2 55.6 -30.8 602 603 A A H 3<5S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.823 112.9 43.5 -67.0 -31.2 -1.4 53.9 -34.0 603 604 A S T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.378 116.0-112.1 -93.2 5.9 -0.3 56.8 -36.0 604 605 A G T < 5S+ 0 0 33 -3,-1.1 -3,-0.2 2,-0.3 -4,-0.1 0.402 85.4 118.7 78.7 -3.8 3.2 57.3 -34.2 605 606 A E S - 0 0 4 1,-0.1 4,-2.9 -7,-0.1 5,-0.2 -0.386 34.5-108.6 -75.3 168.4 4.5 52.6 -27.3 609 610 A T H > S+ 0 0 3 -312,-0.7 4,-3.3 2,-0.2 -311,-0.3 0.901 124.4 55.7 -59.4 -37.9 5.7 51.6 -23.8 610 611 A A H > S+ 0 0 0 -313,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.926 109.1 45.9 -59.7 -46.9 8.3 49.6 -25.6 611 612 A K H > S+ 0 0 41 -314,-0.3 4,-2.8 2,-0.2 5,-0.3 0.960 111.2 50.7 -60.1 -53.6 9.5 52.7 -27.4 612 613 A F H X S+ 0 0 23 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.939 113.3 46.4 -58.9 -43.1 9.5 54.8 -24.3 613 614 A F H X S+ 0 0 8 -4,-3.3 4,-2.2 2,-0.2 -1,-0.3 0.852 111.2 52.6 -61.1 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49.7-157.4 -66.7 130.9 24.2 53.8 -20.8 624 625 A K - 0 0 145 4,-0.4 -1,-0.1 -2,-0.2 -6,-0.1 0.060 35.1-114.9 -99.1 23.2 27.5 52.2 -22.2 625 626 A H S S+ 0 0 102 -7,-0.1 -403,-2.3 1,-0.1 -402,-0.3 0.656 94.6 101.1 52.7 24.6 26.4 52.0 -26.0 626 627 A D S S- 0 0 26 2,-0.2 -1,-0.1 -404,-0.2 3,-0.1 0.244 97.0-108.4-122.3 9.8 26.6 48.2 -25.6 627 628 A S S S+ 0 0 0 1,-0.2 -321,-1.9 -404,-0.1 2,-0.4 0.598 73.6 137.2 73.4 10.9 22.9 47.2 -25.2 628 629 A K B -P 305 0H 75 -323,-0.2 2,-0.7 -11,-0.1 -4,-0.4 -0.759 46.9-148.9 -96.5 137.9 23.4 46.3 -21.5 629 630 A I - 0 0 2 -325,-3.0 -6,-0.0 -2,-0.4 2,-0.0 -0.892 22.9-153.9 -98.4 105.0 20.8 47.4 -18.9 630 631 A S > - 0 0 43 -2,-0.7 4,-3.6 1,-0.1 5,-0.3 -0.353 31.2-104.3 -77.2 157.3 22.8 47.9 -15.6 631 632 A K H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -567,-0.4 0.865 125.5 50.0 -35.6 -38.0 21.4 47.7 -12.1 632 633 A S H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.941 108.9 46.1 -85.0 -45.8 21.4 51.4 -12.2 633 634 A I H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 114.5 51.9 -50.8 -44.9 19.6 52.0 -15.6 634 635 A N H X S+ 0 0 0 -4,-3.6 4,-2.9 1,-0.2 -2,-0.2 0.927 107.5 52.5 -63.4 -43.0 17.1 49.4 -14.4 635 636 A Y H X S+ 0 0 23 -4,-2.3 4,-1.7 -573,-0.3 -1,-0.2 0.921 113.8 40.2 -56.2 -52.1 16.5 51.2 -11.1 636 637 A D H X S+ 0 0 35 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.927 113.1 56.4 -67.8 -42.3 15.8 54.6 -12.7 637 638 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.961 111.5 42.0 -48.5 -54.3 13.8 53.0 -15.4 638 639 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.784 110.8 57.0 -73.4 -20.9 11.5 51.4 -12.9 639 640 A S H X S+ 0 0 9 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.936 107.9 47.7 -69.3 -46.1 11.4 54.6 -10.8 640 641 A T H X S+ 0 0 4 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.940 111.4 51.3 -52.6 -46.6 10.1 56.4 -13.9 641 642 A C H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.898 107.8 52.8 -61.6 -41.2 7.6 53.6 -14.3 642 643 A D H X S+ 0 0 20 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.944 111.1 44.9 -61.2 -47.2 6.6 54.0 -10.7 643 644 A R H ><>S+ 0 0 51 -4,-2.5 5,-2.1 2,-0.2 3,-0.7 0.941 113.8 50.4 -61.1 -44.7 6.0 57.7 -11.1 644 645 A L H ><5S+ 0 0 1 -4,-3.1 3,-3.3 1,-0.3 -2,-0.2 0.975 105.4 55.7 -57.7 -51.4 4.1 57.2 -14.4 645 646 A T H 3<5S+ 0 0 14 -4,-2.9 -166,-0.3 1,-0.3 -1,-0.3 0.804 112.2 46.2 -50.1 -29.1 1.9 54.5 -12.9 646 647 A H T <<5S- 0 0 81 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.327 112.8-115.7-103.7 10.7 1.0 57.2 -10.3 647 648 A L T < 5 + 0 0 58 -3,-3.3 2,-0.8 1,-0.2 -3,-0.2 0.843 58.4 159.2 60.6 40.8 0.4 60.1 -12.7 648 649 A D < + 0 0 58 -5,-2.1 3,-0.4 1,-0.1 6,-0.4 -0.810 18.6 172.7-104.0 102.8 3.3 62.0 -11.2 649 650 A D > + 0 0 28 -2,-0.8 3,-4.3 1,-0.2 -1,-0.1 0.375 41.7 118.3 -90.8 9.3 4.5 64.7 -13.5 650 651 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.782 89.0 34.5 -48.4 -31.0 7.0 66.2 -11.0 651 652 A K T 3 S- 0 0 142 -3,-0.4 -1,-0.3 -11,-0.1 -2,-0.1 0.191 116.0-112.3-104.8 15.1 9.7 65.3 -13.5 652 653 A G S <> S+ 0 0 35 -3,-4.3 4,-2.0 1,-0.1 -3,-0.1 0.683 81.5 124.8 65.5 18.8 7.7 65.9 -16.7 653 654 A E H > + 0 0 23 -5,-0.3 4,-2.0 2,-0.2 5,-0.2 0.899 68.8 50.8 -86.0 -34.5 7.7 62.2 -17.5 654 655 A L H > S+ 0 0 0 -6,-0.4 4,-2.8 2,-0.2 5,-0.3 0.894 112.0 49.4 -65.2 -38.1 3.9 61.7 -17.8 655 656 A T H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.924 112.2 48.0 -69.1 -40.2 3.8 64.7 -20.2 656 657 A S H < S+ 0 0 80 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.811 117.9 41.3 -62.6 -34.2 6.7 63.1 -22.2 657 658 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.923 129.8 23.4 -82.9 -48.9 5.0 59.7 -22.3 658 659 A L H < S- 0 0 1 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.535 107.7-115.5 -93.7 -6.5 1.3 60.7 -22.9 659 660 A G X - 0 0 22 -4,-1.6 4,-2.6 -5,-0.3 5,-0.2 0.111 37.6 -79.2 73.4 155.8 1.8 64.1 -24.5 660 661 A A H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.889 124.4 53.8 -54.2 -51.5 0.5 67.3 -22.8 661 662 A E H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 116.5 34.5 -61.6 -47.6 -3.1 67.0 -23.7 662 663 A I H > S+ 0 0 3 -4,-0.5 4,-2.9 2,-0.2 5,-0.3 0.911 116.6 56.9 -72.2 -40.3 -3.8 63.4 -22.3 663 664 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.963 112.4 39.7 -57.0 -54.6 -1.3 64.0 -19.5 664 665 A E H X S+ 0 0 63 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.932 114.0 57.4 -55.5 -43.5 -3.2 67.0 -18.2 665 666 A Y H X S+ 0 0 18 -4,-2.1 4,-0.6 -5,-0.4 -1,-0.2 0.897 111.1 38.3 -59.7 -46.0 -6.4 65.3 -19.0 666 667 A V H < S+ 0 0 3 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.777 116.0 52.6 -77.7 -28.8 -5.8 62.2 -16.7 667 668 A K H < S+ 0 0 72 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.911 114.8 42.8 -67.1 -45.4 -4.1 64.3 -14.0 668 669 A K H < S+ 0 0 140 -4,-3.3 2,-0.3 -5,-0.3 -2,-0.2 0.570 117.0 48.4 -80.5 -7.7 -7.2 66.6 -13.9 669 670 A N < - 0 0 58 -4,-0.6 -1,-0.2 -5,-0.2 3,-0.1 -0.885 60.4-161.5-146.5 112.6 -9.9 63.8 -14.1 670 671 A K - 0 0 179 -2,-0.3 2,-0.2 1,-0.1 -3,-0.0 -0.401 40.1 -95.7 -73.7 153.8 -10.4 60.6 -12.3 671 672 A P 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -557,-0.0 -0.519 360.0 360.0 -70.0 142.0 -12.6 58.0 -13.8 672 673 A S 0 0 140 -2,-0.2 -553,-0.1 -3,-0.1 -3,-0.0 0.257 360.0 360.0-142.4 360.0 -16.3 57.8 -12.7