==== 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 3LVV . COMPND 2 MOLECULE: GLUTAMATE--CYSTEINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.J.BARYCKI,E.I.BITEROVA . 672 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 63.7 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 . 67 10.0 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 . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 29.8 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 5 1 2 3 1 1 3 1 0 1 1 1 1 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 . 6 2 0 6 2 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 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 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 42 0, 0.0 2,-0.1 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 134.1 32.5 -9.3 6.1 2 3 A L - 0 0 56 72,-0.2 2,-0.1 91,-0.2 91,-0.1 -0.338 360.0-103.2 -57.2 134.0 30.4 -6.3 4.6 3 4 A L - 0 0 79 1,-0.1 -1,-0.1 -2,-0.1 192,-0.0 -0.357 35.7-113.1 -66.0 134.7 27.0 -5.7 6.3 4 5 A A - 0 0 92 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.133 39.9 -90.6 -62.5 160.1 23.8 -6.8 4.6 5 6 A L + 0 0 174 189,-0.1 2,-0.3 188,-0.0 -1,-0.1 -0.328 50.5 151.6 -81.4 155.4 21.2 -4.3 3.2 6 7 A G - 0 0 10 -2,-0.1 188,-0.1 417,-0.0 415,-0.0 -0.984 45.5-114.3-166.2 171.6 18.1 -2.8 5.0 7 8 A T - 0 0 73 -2,-0.3 415,-2.2 187,-0.0 416,-0.2 -0.939 40.4-145.4-115.2 101.4 15.6 0.1 5.3 8 9 A P B -A 421 0A 27 0, 0.0 2,-0.4 0, 0.0 413,-0.2 -0.345 6.0-131.2 -70.9 150.7 16.2 1.5 8.8 9 10 A L - 0 0 16 411,-2.6 411,-0.5 2,-0.0 2,-0.1 -0.848 22.0-128.4 -95.5 135.8 13.3 2.9 10.8 10 11 A Q >> - 0 0 77 -2,-0.4 4,-1.6 409,-0.1 3,-1.2 -0.441 33.3 -96.4 -80.3 162.3 13.9 6.4 12.2 11 12 A W H 3> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 3,-0.4 0.839 121.3 49.8 -53.2 -47.7 13.3 6.8 15.9 12 13 A F H 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.830 119.1 40.4 -62.0 -27.3 9.7 8.2 15.7 13 14 A E H <4 S+ 0 0 118 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.674 121.5 40.9 -91.7 -21.7 8.8 5.4 13.5 14 15 A S H >< S+ 0 0 0 -4,-1.6 3,-2.8 -3,-0.4 -2,-0.2 0.745 91.5 79.3-101.7 -29.8 10.7 2.6 15.3 15 16 A R G >< S+ 0 0 66 -4,-3.0 3,-1.8 1,-0.3 4,-0.3 0.795 82.7 70.6 -50.7 -29.3 10.1 3.4 18.9 16 17 A T G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -4,-0.3 4,-0.3 0.741 97.1 50.2 -65.3 -19.2 6.7 1.8 18.6 17 18 A Y G <> S+ 0 0 84 -3,-2.8 4,-3.1 1,-0.1 -1,-0.3 0.276 76.1 109.0 -99.1 13.5 8.3 -1.7 18.3 18 19 A N H <> S+ 0 0 12 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.951 84.8 39.2 -56.9 -51.4 10.5 -1.4 21.4 19 20 A E H > S+ 0 0 50 -4,-0.3 4,-3.3 1,-0.2 5,-0.2 0.909 115.1 53.6 -66.5 -38.9 8.6 -3.9 23.4 20 21 A H H > S+ 0 0 50 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.938 111.3 46.0 -57.5 -49.0 8.0 -6.2 20.5 21 22 A I H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.956 114.3 47.6 -61.9 -50.4 11.7 -6.3 19.8 22 23 A R H X S+ 0 0 23 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.939 114.2 47.7 -54.2 -51.9 12.6 -6.9 23.5 23 24 A D H X S+ 0 0 52 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.927 113.6 45.0 -56.1 -53.6 9.9 -9.6 23.8 24 25 A E H X S+ 0 0 52 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.791 111.8 52.4 -68.1 -30.6 10.9 -11.5 20.7 25 26 A G H X S+ 0 0 0 -4,-2.1 4,-3.2 410,-0.3 -1,-0.2 0.846 106.0 54.1 -71.1 -35.3 14.6 -11.3 21.4 26 27 A I H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.969 110.1 48.0 -60.4 -48.4 14.1 -12.7 24.9 27 28 A E H X S+ 0 0 31 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.867 111.3 50.6 -55.6 -40.5 12.3 -15.7 23.2 28 29 A Q H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.961 109.8 49.9 -65.0 -46.2 15.2 -15.9 20.8 29 30 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.920 107.5 54.2 -56.8 -48.3 17.6 -16.0 23.7 30 31 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.937 107.6 50.4 -53.6 -48.2 15.5 -18.7 25.4 31 32 A Y H X S+ 0 0 55 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.823 107.8 54.5 -55.3 -35.2 15.8 -20.8 22.2 32 33 A I H X S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.2 5,-0.5 0.948 111.5 42.6 -64.3 -47.0 19.6 -20.3 22.3 33 34 A F H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.948 114.2 52.7 -63.8 -45.9 19.9 -21.6 25.9 34 35 A Q H < S+ 0 0 111 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.881 120.1 34.2 -57.9 -39.5 17.5 -24.4 25.0 35 36 A A H < S+ 0 0 23 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.839 135.8 18.5 -83.2 -35.5 19.7 -25.3 22.0 36 37 A A H >< S+ 0 0 0 -4,-3.3 3,-2.4 421,-0.2 -3,-0.2 0.471 88.6 105.4-121.1 -6.5 23.3 -24.6 23.2 37 38 A G T 3< S+ 0 0 20 -4,-2.6 238,-0.4 -5,-0.5 -3,-0.1 0.732 86.0 45.6 -44.7 -31.7 23.0 -24.4 27.0 38 39 A K T 3 S+ 0 0 188 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.098 76.3 137.0-111.0 17.9 24.7 -27.8 27.4 39 40 A R < + 0 0 3 -3,-2.4 236,-0.4 417,-0.1 2,-0.3 -0.370 32.9 179.9 -54.9 149.7 27.5 -27.4 25.0 40 41 A D + 0 0 86 418,-0.2 234,-0.2 234,-0.1 -2,-0.1 -0.988 45.1 23.8-152.9 162.8 30.8 -28.7 26.5 41 42 A N S S+ 0 0 138 -2,-0.3 233,-0.2 1,-0.2 -1,-0.1 0.773 70.6 172.8 54.4 24.8 34.5 -29.3 26.0 42 43 A D - 0 0 10 231,-2.0 -1,-0.2 230,-0.1 420,-0.1 -0.455 33.9-112.7 -58.8 137.5 34.6 -26.4 23.5 43 44 A P - 0 0 47 0, 0.0 2,-2.0 0, 0.0 422,-0.2 -0.280 30.3 -97.7 -66.9 157.7 38.2 -25.7 22.5 44 45 A L + 0 0 19 226,-0.1 67,-2.7 -2,-0.1 2,-0.2 -0.540 56.3 167.0 -85.8 71.8 39.9 -22.4 23.4 45 46 A F E +B 110 0B 46 -2,-2.0 226,-2.7 65,-0.2 2,-0.3 -0.602 7.5 161.3 -72.6 145.2 39.3 -20.6 20.1 46 47 A W E +BC 109 270B 8 63,-2.0 63,-2.7 -2,-0.2 2,-0.3 -0.964 13.3 176.4-160.0 165.4 40.0 -16.9 20.3 47 48 A G E - C 0 269B 15 222,-1.6 222,-2.2 -2,-0.3 2,-0.2 -0.967 22.3-119.4-167.8 160.9 40.8 -13.9 18.0 48 49 A D E - C 0 268B 2 -2,-0.3 2,-0.4 220,-0.2 220,-0.2 -0.687 9.5-148.2-105.1 161.2 41.4 -10.2 18.0 49 50 A E E - C 0 267B 39 218,-2.1 218,-1.9 -2,-0.2 2,-0.4 -0.997 16.8-167.8-119.6 122.7 39.5 -7.3 16.3 50 51 A L E -DC 103 266B 0 53,-2.6 53,-2.0 -2,-0.4 2,-0.4 -0.917 6.5-154.2-107.8 144.4 41.7 -4.3 15.3 51 52 A E E -D 102 0B 11 214,-0.7 2,-0.3 -2,-0.4 51,-0.2 -0.949 15.1-169.4-115.3 138.2 40.2 -1.0 14.2 52 53 A Y E -D 101 0B 2 49,-3.2 49,-1.7 -2,-0.4 2,-0.4 -0.824 15.8-143.5-125.3 158.4 42.2 1.3 11.9 53 54 A M E -DE 100 153B 0 100,-2.3 100,-2.5 -2,-0.3 2,-0.6 -0.996 16.2-137.3-125.8 130.1 42.0 4.8 10.7 54 55 A V E - E 0 152B 7 45,-3.6 13,-3.1 -2,-0.4 2,-0.5 -0.746 25.0-165.3 -89.9 119.8 42.9 5.8 7.1 55 56 A V E -FE 66 151B 0 96,-2.6 96,-2.8 -2,-0.6 2,-0.7 -0.907 12.6-147.2-113.9 131.9 44.9 9.0 7.2 56 57 A D E -FE 65 150B 2 9,-2.7 9,-2.9 -2,-0.5 2,-0.6 -0.862 12.2-155.1 -98.5 108.2 45.6 11.2 4.2 57 58 A F E -FE 64 149B 0 92,-3.4 92,-1.4 -2,-0.7 2,-0.9 -0.815 7.5-167.4 -83.7 116.3 49.0 13.0 4.4 58 59 A D E >> -FE 63 148B 31 5,-2.7 5,-1.6 -2,-0.6 4,-0.9 -0.877 11.2-177.8 -96.3 88.6 49.1 16.2 2.3 59 60 A D T >45S+ 0 0 53 -2,-0.9 3,-0.5 88,-0.8 -1,-0.2 0.875 75.6 54.8 -65.2 -36.2 52.8 16.5 2.6 60 61 A K T 345S+ 0 0 159 87,-0.3 -1,-0.2 1,-0.2 88,-0.0 0.875 116.5 36.5 -64.1 -35.4 52.9 19.7 0.6 61 62 A E T 345S- 0 0 130 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.483 104.4-127.5 -92.6 -2.9 50.4 21.4 2.9 62 63 A R T <<5 + 0 0 91 -4,-0.9 2,-0.4 -3,-0.5 573,-0.3 0.954 66.4 130.1 51.2 52.3 51.7 19.7 6.1 63 64 A N E < -F 58 0B 10 -5,-1.6 -5,-2.7 572,-0.1 2,-0.6 -0.981 45.0-159.5-136.2 120.9 48.1 18.5 7.0 64 65 A S E -F 57 0B 1 567,-0.4 2,-0.3 -2,-0.4 -7,-0.2 -0.937 23.5-177.1 -96.7 120.9 47.2 14.9 7.9 65 66 A M E -F 56 0B 8 -9,-2.9 -9,-2.7 -2,-0.6 2,-0.3 -0.712 34.1-102.3-110.5 161.8 43.5 14.4 7.3 66 67 A L E -Fg 55 167B 0 100,-3.2 102,-1.9 -2,-0.3 2,-0.9 -0.680 39.4-128.6 -73.7 138.9 41.1 11.6 7.9 67 68 A D + 0 0 3 -13,-3.1 3,-0.3 -2,-0.3 -13,-0.2 -0.828 37.6 164.6-100.6 105.8 40.5 10.0 4.5 68 69 A V + 0 0 3 -2,-0.9 3,-0.1 1,-0.2 -1,-0.1 0.120 64.7 72.4-102.0 18.5 36.7 9.7 3.9 69 70 A C S S+ 0 0 36 1,-0.1 3,-0.2 2,-0.1 -1,-0.2 0.464 85.6 57.2-115.8 -3.4 37.1 9.0 0.1 70 71 A H > + 0 0 16 -3,-0.3 3,-2.0 1,-0.1 4,-0.2 0.068 61.0 122.1-116.8 27.3 38.5 5.4 -0.1 71 72 A D T > + 0 0 24 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.628 55.8 81.8 -66.1 -13.4 35.8 3.6 1.8 72 73 A K T >> S+ 0 0 75 1,-0.2 4,-2.9 -3,-0.2 3,-0.7 0.721 71.3 85.1 -57.3 -21.6 35.1 1.3 -1.2 73 74 A I H <> S+ 0 0 3 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.895 86.5 52.1 -47.4 -38.2 38.1 -0.6 0.2 74 75 A L H <4 S+ 0 0 4 -3,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.822 111.1 44.8 -73.4 -33.7 35.7 -2.5 2.5 75 76 A T H X4 S+ 0 0 59 -3,-0.7 3,-0.6 -4,-0.5 -1,-0.2 0.918 114.8 48.2 -73.8 -45.4 33.3 -3.5 -0.3 76 77 A E H ><>S+ 0 0 36 -4,-2.9 5,-2.5 1,-0.2 3,-1.2 0.876 108.5 52.8 -64.3 -37.9 36.1 -4.6 -2.6 77 78 A L T 3<5S+ 0 0 1 -4,-2.4 8,-0.3 -5,-0.3 -1,-0.2 0.693 114.4 45.6 -69.1 -19.5 37.9 -6.6 0.1 78 79 A N T < 5S+ 0 0 39 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.276 124.7 29.0-104.3 8.7 34.6 -8.4 0.6 79 80 A M T X 5S+ 0 0 125 -3,-1.2 3,-0.8 -4,-0.2 4,-0.3 0.411 131.2 2.3-128.6 -93.2 33.9 -8.9 -3.2 80 81 A E T 3 5S+ 0 0 116 1,-0.3 -3,-0.2 2,-0.1 3,-0.1 0.655 136.5 43.1 -87.1 -14.4 36.4 -9.3 -5.9 81 82 A D T 3> S+ 0 0 26 -3,-0.8 4,-3.0 -6,-0.3 5,-0.2 0.854 75.8 63.1 -64.5 -34.4 37.9 -11.4 -0.9 83 84 A S H > S+ 0 0 78 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.841 99.6 54.1 -58.2 -37.7 40.0 -14.2 -2.5 84 85 A L H > S+ 0 0 55 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.928 111.4 45.6 -57.1 -45.3 43.1 -12.3 -1.5 85 86 A C H ><>S+ 0 0 5 -4,-1.2 5,-2.0 -8,-0.3 3,-0.9 0.921 112.4 48.0 -66.3 -49.2 41.7 -12.2 2.1 86 87 A E H ><5S+ 0 0 149 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.927 109.4 53.2 -62.6 -47.1 40.7 -15.8 2.4 87 88 A A H 3<5S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.734 114.7 43.9 -53.0 -28.3 44.0 -17.0 1.1 88 89 A N T <<5S- 0 0 51 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.365 111.5-116.0-107.3 4.8 45.7 -14.9 3.7 89 90 A D T < 5S+ 0 0 35 -3,-1.4 17,-1.1 -4,-0.5 2,-0.3 0.884 74.1 120.6 65.0 37.4 43.5 -15.7 6.7 90 91 A V E < -H 105 0B 2 -5,-2.0 2,-0.3 15,-0.3 -1,-0.2 -0.915 41.5-166.2-127.2 158.8 42.2 -12.2 7.2 91 92 A S E -H 104 0B 29 13,-2.2 13,-2.3 -2,-0.3 2,-0.4 -0.987 5.7-157.9-145.2 146.5 38.7 -10.7 7.2 92 93 A F E +H 103 0B 1 -2,-0.3 11,-0.3 11,-0.2 -2,-0.0 -0.966 13.8 169.1-128.1 137.0 37.6 -7.0 6.9 93 94 A H E -H 102 0B 41 9,-2.7 9,-1.5 -2,-0.4 -91,-0.2 -0.954 35.1 -85.3-145.6 167.6 34.4 -5.2 7.9 94 95 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.295 33.5-167.0 -63.8 155.0 32.9 -1.7 8.4 95 96 A E - 0 0 40 2,-0.5 96,-0.2 5,-0.4 5,-0.2 -0.844 43.8 -88.3-128.7 169.4 33.1 0.4 11.5 96 97 A Y S S+ 0 0 4 -2,-0.3 95,-3.0 165,-0.2 2,-0.2 0.863 107.2 74.7 -41.5 -46.4 31.2 3.6 12.6 97 98 A G B > S-K 190 0C 0 164,-0.5 3,-1.3 93,-0.2 -2,-0.5 -0.429 72.9-145.0 -80.7 136.6 33.8 5.9 10.8 98 99 A R T 3 S+ 0 0 34 91,-2.2 92,-0.2 1,-0.3 -1,-0.1 0.785 107.2 49.8 -68.2 -25.7 33.8 6.2 7.0 99 100 A Y T 3 S+ 0 0 3 90,-0.5 -45,-3.6 -31,-0.1 2,-0.3 0.348 99.1 92.0 -85.2 1.0 37.6 6.5 7.4 100 101 A M E < -D 53 0B 1 -3,-1.3 -5,-0.4 -47,-0.2 2,-0.3 -0.669 52.5-166.0-102.5 158.6 37.9 3.4 9.6 101 102 A L E -D 52 0B 2 -49,-1.7 -49,-3.2 -2,-0.3 2,-0.4 -0.948 4.6-158.9-129.2 147.4 38.6 -0.2 8.8 102 103 A E E +DH 51 93B 6 -9,-1.5 -9,-2.7 -2,-0.3 2,-0.3 -0.990 15.4 176.2-122.1 146.7 38.2 -3.2 11.1 103 104 A A E +DH 50 92B 0 -53,-2.0 -53,-2.6 -2,-0.4 -11,-0.2 -0.994 7.2 173.2-146.2 146.4 40.0 -6.5 10.4 104 105 A T E - H 0 91B 21 -13,-2.3 -13,-2.2 -2,-0.3 -55,-0.1 -0.866 47.6 -82.0-138.3 164.8 40.2 -9.9 12.3 105 106 A P E - H 0 90B 9 0, 0.0 -15,-0.3 0, 0.0 -16,-0.1 -0.414 41.4-125.0 -64.4 157.4 41.8 -13.2 11.4 106 107 A A S S+ 0 0 51 -17,-1.1 -16,-0.1 -21,-0.2 -17,-0.1 0.804 96.7 30.5 -77.3 -28.0 39.4 -15.1 9.1 107 108 A S S S- 0 0 70 -18,-0.3 -1,-0.1 -16,-0.0 -16,-0.0 -0.972 98.4-101.6-123.0 146.8 39.4 -18.2 11.5 108 109 A P - 0 0 71 0, 0.0 -61,-0.2 0, 0.0 2,-0.1 -0.241 36.0-110.1 -63.0 148.6 40.0 -18.0 15.3 109 110 A Y E -B 46 0B 6 -63,-2.7 -63,-2.0 -4,-0.1 2,-0.5 -0.382 29.8-138.5 -62.1 158.7 43.3 -18.8 16.8 110 111 A L E -B 45 0B 75 -65,-0.2 -65,-0.2 -2,-0.1 -63,-0.0 -0.970 54.5 -45.7-128.9 116.7 43.4 -22.1 18.7 111 112 A N S S- 0 0 78 -67,-2.7 2,-0.5 -2,-0.5 -65,-0.1 -0.233 118.2 -5.5 60.6-148.4 45.3 -22.2 22.0 112 113 A Y + 0 0 60 1,-0.1 375,-0.0 -3,-0.1 -1,-0.0 -0.682 61.7 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14.4 -21.2 33.1 401 402 A L - 0 0 19 -8,-2.6 -2,-0.0 -2,-0.3 -5,-0.0 -0.716 15.1-102.9-108.8 153.7 17.5 -19.4 34.2 402 403 A D > - 0 0 64 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.253 42.1-107.0 -63.6 163.7 19.2 -18.9 37.7 403 404 A Y H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.827 115.4 52.5 -67.6 -33.8 18.5 -15.5 39.2 404 405 A D H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.948 112.6 44.3 -73.1 -41.4 21.9 -14.0 38.7 405 406 A L H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.905 113.4 51.8 -64.4 -45.6 22.0 -14.8 35.0 406 407 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.869 106.7 53.2 -55.2 -44.3 18.5 -13.6 34.6 407 408 A K H X S+ 0 0 31 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.869 105.0 56.1 -64.1 -35.8 19.4 -10.3 36.3 408 409 A H H X S+ 0 0 7 -4,-1.6 4,-1.9 2,-0.2 3,-0.3 0.975 112.9 40.4 -56.4 -52.7 22.3 -9.8 33.8 409 410 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.913 111.8 56.2 -65.3 -43.0 19.9 -10.0 30.9 410 411 A A H < S+ 0 0 0 -4,-2.6 -24,-2.0 1,-0.2 -1,-0.2 0.772 106.2 51.1 -60.2 -30.9 17.2 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422 A F B > -A 8 0A 32 -2,-0.4 3,-0.9 -413,-0.2 4,-0.2 -0.756 15.7-136.0 -92.3 132.6 15.2 -2.5 10.0 422 423 A E G > S+ 0 0 111 -415,-2.2 3,-1.4 -2,-0.4 -1,-0.1 0.834 103.4 58.6 -41.0 -51.7 11.7 -2.7 8.6 423 424 A E G > S+ 0 0 105 1,-0.2 3,-0.5 -416,-0.2 -1,-0.2 0.854 105.2 50.9 -46.8 -44.1 12.5 -6.1 6.9 424 425 A L G < S+ 0 0 62 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.279 71.3 110.5 -91.5 8.1 13.4 -7.7 10.2 425 426 A L G < S+ 0 0 20 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.2 0.796 83.3 36.1 -61.5 -33.2 10.4 -6.9 12.3 426 427 A N S < S+ 0 0 131 -3,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.985 76.4 171.8-121.1 126.7 9.2 -10.4 12.5 427 428 A Q - 0 0 36 -2,-0.5 2,-1.0 5,-0.1 3,-0.1 -0.687 45.4-102.7-120.4 172.7 11.6 -13.3 12.7 428 429 A D >> - 0 0 84 -2,-0.2 4,-3.1 1,-0.1 3,-1.3 -0.892 34.9-161.1 -88.7 102.1 11.6 -17.0 13.2 429 430 A N T 34 S+ 0 0 23 -2,-1.0 -398,-0.1 1,-0.3 -1,-0.1 0.680 83.5 65.1 -61.1 -17.3 12.8 -16.9 16.9 430 431 A K T 34 S+ 0 0 131 1,-0.1 -1,-0.3 -399,-0.1 3,-0.0 0.807 120.3 17.4 -72.7 -31.7 13.9 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22.9 -7.3 23.0 441 442 A S T 3< S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.591 110.8 53.7 -69.8 -10.7 25.1 -5.5 20.5 442 443 A T T < S+ 0 0 0 -3,-1.1 2,-0.6 -4,-0.3 -1,-0.3 0.047 86.6 81.6-118.3 19.9 24.1 -2.0 21.7 443 444 A N S < S- 0 0 4 -3,-1.5 2,-0.6 -4,-0.1 -82,-0.2 -0.985 71.4-170.5-111.5 105.6 24.9 -2.6 25.3 444 445 A W B +r 361 0I 22 -84,-2.2 -82,-1.5 -2,-0.6 2,-0.2 -0.902 15.8 156.9-108.1 109.9 28.7 -1.8 24.9 445 446 A Q - 0 0 9 -2,-0.6 -82,-0.2 2,-0.3 26,-0.1 -0.632 58.4 -88.4-132.2 179.3 30.7 -2.7 28.0 446 447 A T S S+ 0 0 1 -84,-0.3 25,-2.4 -2,-0.2 2,-0.3 0.685 114.3 14.3 -67.8 -21.0 34.1 -3.6 29.2 447 448 A L E S-J 470 0B 1 23,-0.2 2,-0.4 24,-0.2 -2,-0.3 -0.907 71.8-148.4-137.8 165.8 33.4 -7.3 28.6 448 449 A R E -J 469 0B 30 21,-1.6 21,-3.4 -2,-0.3 2,-0.7 -0.983 6.6-147.4-141.6 135.0 30.7 -9.0 26.7 449 450 A F E -J 468 0B 1 -2,-0.4 19,-0.2 19,-0.2 -170,-0.0 -0.904 25.7-155.8-100.0 113.6 29.3 -12.4 27.5 450 451 A K E -J 467 0B 45 17,-3.1 17,-2.3 -2,-0.7 -2,-0.0 -0.847 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540 541 A T T 3 S+ 0 0 106 -2,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.078 94.5 130.6 93.5 -22.7 35.8 -16.4 50.5 541 542 A D < + 0 0 36 -3,-0.8 -1,-0.3 1,-0.2 -3,-0.1 -0.529 18.2 160.6 -65.7 111.7 38.5 -13.7 50.9 542 543 A V + 0 0 22 -2,-0.5 -34,-0.4 -3,-0.1 -1,-0.2 0.149 24.4 139.2-122.0 17.7 37.4 -10.6 48.9 543 544 A E - 0 0 102 -36,-0.1 -9,-2.4 -10,-0.1 -8,-0.5 -0.388 31.2-169.1 -53.6 130.5 39.7 -8.1 50.6 544 545 A T E -S 533 0J 23 -11,-0.3 2,-0.3 -10,-0.1 -11,-0.2 -0.824 8.9-168.0-115.8 158.9 41.3 -5.5 48.3 545 546 A E E -S 532 0J 83 -13,-2.0 -13,-2.4 -2,-0.3 2,-0.6 -0.826 35.8 -97.3-128.4-179.7 44.2 -3.0 48.9 546 547 A D E +S 531 0J 78 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.907 47.7 176.1-110.1 121.5 45.2 -0.2 46.7 547 548 A Y E -S 530 0J 21 -17,-2.3 -17,-2.9 -2,-0.6 2,-0.1 -0.866 29.3-117.3-126.9 152.0 48.1 -1.0 44.4 548 549 A S E > -S 529 0J 25 -2,-0.3 4,-3.1 -19,-0.2 5,-0.2 -0.466 36.5-106.5 -81.5 164.7 49.9 0.9 41.7 549 550 A I H > S+ 0 0 0 -21,-0.6 4,-2.2 -25,-0.3 5,-0.2 0.901 123.4 55.8 -57.7 -38.9 49.8 -0.5 38.2 550 551 A S H > S+ 0 0 42 -25,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.954 111.5 41.5 -60.7 -47.6 53.5 -1.5 38.7 551 552 A E H > S+ 0 0 68 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.903 110.7 58.1 -64.0 -41.9 52.6 -3.6 41.9 552 553 A I H < S+ 0 0 0 -4,-3.1 8,-2.7 1,-0.2 -1,-0.2 0.863 114.8 38.1 -59.8 -31.8 49.4 -5.0 40.1 553 554 A F H < S+ 0 0 0 -4,-2.2 8,-3.0 6,-0.3 -1,-0.2 0.848 131.0 25.2 -83.0 -33.7 51.6 -6.4 37.4 554 555 A H H < S+ 0 0 56 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.501 77.8 122.4-115.2 -9.7 54.5 -7.5 39.5 555 556 A N X - 0 0 36 -4,-3.1 4,-2.3 1,-0.1 3,-0.3 -0.383 56.6-138.3 -57.3 128.9 53.6 -8.2 43.2 556 557 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.881 98.9 44.6 -52.9 -36.5 54.5 -11.8 44.1 557 558 A E T 4 S+ 0 0 134 1,-0.1 -21,-0.5 -22,-0.1 -2,-0.0 0.790 137.1 0.1 -83.1 -27.8 51.2 -12.3 46.0 558 559 A N T 4 S+ 0 0 2 -3,-0.3 2,-0.2 -7,-0.2 -1,-0.1 0.242 92.9 129.6-148.6 9.8 48.5 -10.8 43.7 559 560 A G X - 0 0 0 -4,-2.3 4,-2.5 1,-0.1 5,-0.4 -0.451 62.9-123.1 -80.9 144.9 50.4 -9.5 40.6 560 561 A I H >>S+ 0 0 0 -8,-2.7 5,-2.2 3,-0.2 4,-1.6 0.901 109.4 44.7 -50.8 -46.3 49.4 -10.4 37.0 561 562 A F H 4>S+ 0 0 3 -8,-3.0 5,-3.0 3,-0.2 -1,-0.2 0.994 118.8 37.3 -68.3 -56.3 52.9 -11.9 36.2 562 563 A P H 45S+ 0 0 42 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.803 129.3 32.7 -70.1 -22.3 53.6 -14.0 39.3 563 564 A Q H <5S+ 0 0 31 -4,-2.5 -3,-0.2 -8,-0.2 -2,-0.2 0.570 134.3 15.4-106.9 -16.8 50.0 -15.2 39.7 564 565 A F T X5S+ 0 0 1 -4,-1.6 4,-1.3 -5,-0.4 -3,-0.2 0.689 126.9 33.5-118.2 -62.0 48.6 -15.4 36.2 565 566 A V H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 111.0 46.4 -52.5 -37.8 52.1 -20.0 36.5 568 569 A I H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.5 6,-0.2 0.919 111.9 51.7 -72.6 -35.1 50.5 -20.7 33.0 569 570 A L H <>S+ 0 0 1 -4,-2.3 5,-2.7 2,-0.2 6,-1.5 0.834 112.8 44.5 -67.3 -35.3 54.0 -20.6 31.4 570 571 A C H ><5S+ 0 0 44 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 0.940 113.6 51.8 -66.8 -48.9 55.4 -23.1 33.9 571 572 A Q H 3<5S+ 0 0 95 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.802 112.2 43.6 -62.7 -35.5 52.4 -25.2 33.5 572 573 A K T 3<5S- 0 0 86 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.270 116.6-114.6 -90.9 4.8 52.6 -25.3 29.7 573 574 A G T < 5S+ 0 0 60 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.688 81.0 122.8 76.8 19.0 56.3 -25.9 29.9 574 575 A F S - 0 0 52 1,-0.1 3,-1.9 -9,-0.1 -1,-0.3 -0.959 61.5-126.1-137.1 145.2 60.1 -17.5 35.8 579 580 A W G > S+ 0 0 12 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.811 105.3 69.1 -54.5 -34.8 58.8 -15.6 32.6 580 581 A K G > S+ 0 0 105 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.695 76.9 80.3 -64.3 -15.7 62.2 -14.0 32.1 581 582 A E G X S+ 0 0 70 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.782 77.1 76.2 -57.6 -27.8 63.7 -17.4 31.1 582 583 A L G X S+ 0 0 0 -3,-1.6 3,-1.8 1,-0.3 10,-0.3 0.726 71.9 79.6 -54.5 -27.2 62.2 -16.8 27.7 583 584 A K G < S+ 0 0 77 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.881 105.1 33.1 -48.8 -37.2 64.9 -14.3 26.8 584 585 A H G < S+ 0 0 156 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.142 90.6 124.4-107.7 11.7 67.1 -17.3 26.0 585 586 A S <> - 0 0 26 -3,-1.8 4,-0.5 1,-0.1 7,-0.1 -0.577 51.7-152.9 -72.1 135.7 64.4 -19.6 24.7 586 587 A S T 4 S+ 0 0 106 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.889 96.8 32.3 -74.0 -40.1 65.0 -20.9 21.2 587 588 A K T 4 S+ 0 0 164 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.736 126.5 39.7 -88.4 -22.0 61.3 -21.3 20.4 588 589 A H T > + 0 0 40 1,-0.1 4,-1.5 -6,-0.1 3,-0.4 0.105 65.8 120.9-125.2 17.1 59.9 -18.4 22.5 589 590 A E H X S+ 0 0 68 -4,-0.5 4,-1.5 1,-0.2 5,-0.2 0.858 77.2 54.1 -53.7 -37.7 62.2 -15.4 22.3 590 591 A R H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 102.4 59.0 -69.5 -34.6 59.5 -13.0 20.9 591 592 A L H > S+ 0 0 4 -3,-0.4 4,-2.7 1,-0.3 5,-0.2 0.920 101.6 56.1 -58.6 -40.9 57.2 -13.9 23.7 592 593 A Y H X S+ 0 0 21 -4,-1.5 4,-2.9 -10,-0.3 -1,-0.3 0.910 108.7 45.1 -52.6 -48.4 59.9 -12.6 26.0 593 594 A Y H X S+ 0 0 17 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.844 110.5 54.5 -71.6 -31.5 59.9 -9.2 24.3 594 595 A Y H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.990 115.2 39.6 -54.6 -55.5 56.1 -9.0 24.3 595 596 A L H X S+ 0 0 2 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.854 114.1 53.1 -69.6 -40.0 56.1 -9.6 28.1 596 597 A K H X S+ 0 0 30 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.887 108.0 51.5 -58.4 -45.1 59.2 -7.3 28.6 597 598 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.921 113.5 45.7 -56.2 -46.8 57.4 -4.5 26.7 598 599 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.971 114.2 46.6 -63.1 -51.4 54.4 -5.1 29.0 599 600 A S H X S+ 0 0 13 -4,-3.5 4,-2.4 1,-0.2 6,-0.2 0.925 112.3 50.6 -59.9 -46.3 56.4 -5.2 32.2 600 601 A D H <>S+ 0 0 27 -4,-2.8 6,-2.3 1,-0.2 5,-0.9 0.812 112.6 46.0 -63.5 -30.9 58.4 -2.1 31.3 601 602 A R H ><5S+ 0 0 0 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.2 0.916 111.5 52.4 -74.5 -37.5 55.3 -0.1 30.5 602 603 A A H 3<5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.799 112.1 46.3 -65.8 -31.6 53.6 -1.3 33.7 603 604 A S T 3<5S- 0 0 47 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.521 116.2-112.1 -88.9 -4.3 56.6 -0.2 35.8 604 605 A G T < 5S+ 0 0 30 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.443 86.6 118.5 85.8 0.0 57.0 3.2 34.1 605 606 A E S - 0 0 5 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.432 33.3-108.1 -74.0 167.9 52.4 4.5 27.0 609 610 A T H > S+ 0 0 2 -312,-0.5 4,-3.1 2,-0.2 -311,-0.3 0.938 123.3 57.7 -63.1 -43.0 51.4 5.7 23.6 610 611 A A H > S+ 0 0 0 -313,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 110.0 42.9 -52.6 -45.7 49.3 8.4 25.4 611 612 A K H > S+ 0 0 43 -314,-0.3 4,-2.8 2,-0.2 5,-0.3 0.938 111.4 53.8 -68.1 -47.9 52.4 9.7 27.1 612 613 A F H X S+ 0 0 21 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.928 111.8 46.0 -50.7 -45.0 54.5 9.5 24.0 613 614 A F H X S+ 0 0 8 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.905 111.7 51.3 -63.0 -44.8 51.9 11.6 22.2 614 615 A R H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.971 111.8 46.1 -62.0 -52.7 51.7 14.1 25.0 615 616 A N H X S+ 0 0 50 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.888 110.5 55.6 -48.3 -43.1 55.5 14.6 25.2 616 617 A F H < S+ 0 0 43 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.949 111.9 41.1 -63.0 -47.8 55.4 15.0 21.4 617 618 A V H >< S+ 0 0 2 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.875 116.4 48.3 -66.4 -36.8 52.9 17.8 21.5 618 619 A L H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.9 45.6 -74.1 -38.9 54.4 19.5 24.5 619 620 A Q T 3< S+ 0 0 149 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.347 85.4 120.3 -82.2 2.8 58.0 19.3 23.0 620 621 A H X - 0 0 19 -3,-0.6 3,-3.0 -4,-0.3 13,-0.1 -0.560 67.6-131.2 -79.5 129.4 56.9 20.5 19.5 621 622 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.777 109.1 46.7 -38.0 -39.2 58.6 23.8 18.2 622 623 A D T 3 S+ 0 0 70 8,-0.0 2,-0.2 2,-0.0 11,-0.1 0.407 81.2 121.0 -92.0 1.1 55.2 25.2 17.2 623 624 A Y < - 0 0 9 -3,-3.0 6,-0.1 1,-0.1 -5,-0.0 -0.484 49.2-159.0 -69.2 132.5 53.5 24.3 20.5 624 625 A K - 0 0 133 4,-0.4 -1,-0.1 -2,-0.2 -402,-0.1 -0.026 35.8-112.6-107.3 28.7 52.1 27.5 22.1 625 626 A H S S+ 0 0 103 1,-0.1 -403,-2.8 -7,-0.1 -402,-0.3 0.738 95.0 101.8 49.4 33.2 51.8 26.5 25.8 626 627 A D S S- 0 0 25 -404,-0.2 -1,-0.1 2,-0.2 -408,-0.0 0.101 98.3-104.4-130.8 14.6 48.0 26.7 25.4 627 628 A S S S+ 0 0 0 1,-0.2 -321,-2.5 -404,-0.1 2,-0.4 0.474 74.4 139.9 74.0 2.7 46.9 23.1 25.0 628 629 A K B -P 305 0G 70 -323,-0.2 2,-0.7 -11,-0.1 -4,-0.4 -0.675 42.6-157.6 -95.4 135.0 46.3 23.4 21.3 629 630 A I - 0 0 2 -325,-2.7 2,-0.2 -2,-0.4 -6,-0.0 -0.926 21.5-163.6-101.9 111.4 47.2 20.9 18.6 630 631 A S > - 0 0 42 -2,-0.7 4,-3.8 1,-0.1 5,-0.2 -0.474 35.6 -99.2 -93.8 168.4 47.5 22.7 15.4 631 632 A K H > S+ 0 0 69 1,-0.3 4,-2.4 2,-0.2 -567,-0.4 0.822 125.4 52.0 -55.6 -34.9 47.5 21.2 11.8 632 633 A S H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.930 111.1 42.4 -74.5 -46.5 51.2 21.4 11.9 633 634 A I H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.946 115.4 52.7 -62.3 -46.8 51.7 19.6 15.2 634 635 A N H X S+ 0 0 0 -4,-3.8 4,-2.7 2,-0.2 -2,-0.2 0.906 108.7 50.4 -53.6 -43.6 49.1 17.1 14.1 635 636 A Y H X S+ 0 0 22 -4,-2.4 4,-2.3 -573,-0.3 -2,-0.2 0.946 112.7 44.4 -61.6 -53.8 51.0 16.5 10.8 636 637 A D H X S+ 0 0 37 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.893 113.1 52.0 -57.3 -42.7 54.3 16.0 12.4 637 638 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.966 112.4 44.6 -58.4 -52.8 52.8 13.7 15.1 638 639 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.841 109.5 55.8 -68.2 -26.5 51.1 11.5 12.6 639 640 A S H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.970 109.0 49.1 -64.7 -45.7 54.3 11.4 10.4 640 641 A T H X S+ 0 0 2 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.917 109.8 51.1 -53.8 -45.1 56.1 10.1 13.4 641 642 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.846 107.7 52.7 -63.3 -36.9 53.3 7.6 13.9 642 643 A D H X S+ 0 0 23 -4,-2.0 4,-1.0 -3,-0.2 -1,-0.2 0.928 112.3 45.0 -63.3 -44.6 53.6 6.5 10.3 643 644 A R H ><>S+ 0 0 54 -4,-2.5 5,-2.9 2,-0.2 3,-0.7 0.939 113.3 50.1 -65.9 -41.8 57.4 5.9 10.8 644 645 A L H ><5S+ 0 0 1 -4,-3.4 3,-2.7 1,-0.3 -2,-0.2 0.964 106.5 54.9 -60.6 -50.3 56.9 4.1 14.1 645 646 A T H 3<5S+ 0 0 13 -4,-2.6 -166,-0.3 1,-0.3 -1,-0.3 0.771 112.2 45.1 -46.6 -32.4 54.2 1.8 12.6 646 647 A H T <<5S- 0 0 81 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.091 114.8-114.5-110.7 14.6 56.8 0.8 10.0 647 648 A L T < 5 + 0 0 48 -3,-2.7 2,-1.0 1,-0.2 -3,-0.2 0.823 56.7 163.4 56.2 38.4 59.7 0.4 12.4 648 649 A D > < + 0 0 61 -5,-2.9 3,-0.5 1,-0.1 5,-0.3 -0.751 12.8 170.0 -94.5 96.3 61.5 3.3 10.8 649 650 A D G > + 0 0 23 -2,-1.0 3,-3.5 1,-0.2 -1,-0.1 0.310 39.9 117.4 -88.5 12.8 64.2 4.4 13.3 650 651 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.766 87.6 35.6 -55.6 -23.8 65.9 6.8 10.9 651 652 A K G < S- 0 0 140 -3,-0.5 -1,-0.3 0, 0.0 -2,-0.1 0.187 117.7-112.3-112.3 19.9 65.1 9.6 13.3 652 653 A G S <> S+ 0 0 32 -3,-3.5 4,-2.7 1,-0.1 -3,-0.1 0.621 80.0 130.3 61.7 15.3 65.6 7.4 16.4 653 654 A E H > + 0 0 26 -5,-0.3 4,-1.5 2,-0.2 -4,-0.1 0.869 69.4 49.0 -71.0 -34.4 61.8 7.7 17.1 654 655 A L H > S+ 0 0 0 -6,-0.2 4,-3.2 2,-0.2 5,-0.3 0.876 112.9 48.0 -71.1 -42.5 61.4 3.9 17.6 655 656 A T H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.949 112.5 49.9 -58.8 -46.2 64.3 3.8 19.9 656 657 A S H < S+ 0 0 79 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.840 119.9 36.9 -59.3 -33.6 62.9 6.8 21.8 657 658 A F H < S+ 0 0 1 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.887 131.2 24.9 -90.8 -47.1 59.4 5.1 22.0 658 659 A L H X S- 0 0 2 -4,-3.2 4,-0.6 -5,-0.1 -3,-0.2 0.455 108.3-118.7 -95.1 2.5 60.3 1.4 22.6 659 660 A G H X - 0 0 21 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.247 38.2 -76.7 62.6 157.2 63.8 2.0 24.2 660 661 A A H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.850 124.8 53.7 -56.0 -44.1 66.9 0.5 22.5 661 662 A E H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.946 116.0 37.0 -66.1 -45.7 66.6 -3.1 23.4 662 663 A I H X S+ 0 0 2 -4,-0.6 4,-2.9 2,-0.2 5,-0.3 0.940 117.4 52.6 -71.3 -43.1 63.0 -3.6 22.1 663 664 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.962 111.7 44.7 -53.2 -58.1 63.6 -1.3 19.1 664 665 A E H X S+ 0 0 67 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.902 113.4 53.7 -55.6 -38.8 66.7 -3.2 18.0 665 666 A Y H X S+ 0 0 17 -4,-1.7 4,-0.8 -5,-0.4 -1,-0.2 0.936 112.2 39.5 -65.1 -48.1 65.0 -6.4 18.6 666 667 A V H < S+ 0 0 5 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.862 114.0 56.2 -73.6 -34.2 61.8 -5.7 16.4 667 668 A K H < S+ 0 0 78 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.828 116.6 36.1 -59.1 -35.0 64.0 -4.0 13.8 668 669 A K H < S+ 0 0 152 -4,-1.9 2,-0.4 -5,-0.3 -2,-0.2 0.488 116.7 54.0-101.3 -0.2 66.2 -7.2 13.5 669 670 A N < - 0 0 59 -4,-0.8 -1,-0.2 -3,-0.3 3,-0.0 -0.954 61.6-160.9-144.5 122.0 63.5 -9.9 14.0 670 671 A K - 0 0 170 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.637 34.2-104.6 -97.5 150.4 60.3 -10.4 12.1 671 672 A P 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -557,-0.0 -0.481 360.0 360.0 -69.6 145.9 57.5 -12.5 13.6 672 673 A S 0 0 140 -2,-0.1 -557,-0.3 -3,-0.0 -553,-0.1 -0.932 360.0 360.0-148.6 360.0 57.4 -15.9 11.8