==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JUL-09 3IG8 . COMPND 2 MOLECULE: GLUTAMATE-CYSTEINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.BITEROVA,J.J.BARYCKI . 673 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 64.8 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 . 69 10.3 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 . 43 6.4 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 . 203 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0 2 3 2 1 2 2 0 1 1 2 0 0 0 1 1 0 0 0 0 0 0 1 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 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 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 52 0, 0.0 2,-0.2 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 123.2 32.2 -9.8 6.2 2 3 A L - 0 0 61 91,-0.2 2,-0.3 76,-0.1 91,-0.1 -0.584 360.0-101.1 -75.6 139.0 30.5 -6.5 5.1 3 4 A L - 0 0 79 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.484 38.1-128.9 -65.2 121.0 27.2 -5.5 6.8 4 5 A A - 0 0 91 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.538 28.2-119.3 -77.9 136.2 24.1 -6.4 4.6 5 6 A L + 0 0 161 -2,-0.2 2,-0.3 189,-0.0 -1,-0.1 0.174 36.7 149.1 -76.8-178.1 21.6 -3.6 3.9 6 7 A G - 0 0 10 417,-0.1 188,-0.1 416,-0.0 189,-0.0 -0.947 55.5 -55.9 169.7 174.9 17.8 -2.9 4.4 7 8 A T - 0 0 73 -2,-0.3 415,-2.5 187,-0.0 416,-0.1 -0.660 56.3-148.0 -76.2 104.9 15.1 -0.2 5.1 8 9 A P B -A 421 0A 43 0, 0.0 2,-0.5 0, 0.0 413,-0.2 -0.383 6.4-135.0 -74.6 154.7 16.3 1.6 8.3 9 10 A L - 0 0 16 411,-1.1 411,-0.4 -2,-0.1 193,-0.1 -0.941 12.0-135.6-113.7 129.5 13.7 3.0 10.7 10 11 A Q >> - 0 0 77 -2,-0.5 4,-1.7 409,-0.1 3,-0.7 -0.415 33.5 -99.3 -83.6 163.6 14.0 6.4 12.1 11 12 A W H 3> S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.835 118.8 50.4 -58.3 -47.6 13.3 6.9 15.8 12 13 A F H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.857 118.5 41.3 -53.2 -39.8 9.7 8.2 15.7 13 14 A E H <4 S+ 0 0 114 -3,-0.7 3,-0.2 1,-0.1 -1,-0.2 0.768 121.1 42.4 -77.4 -27.9 8.7 5.3 13.4 14 15 A S H >< S+ 0 0 1 -4,-1.7 3,-3.1 1,-0.2 4,-0.4 0.847 92.2 75.7 -90.4 -40.6 10.8 2.7 15.3 15 16 A R T 3< S+ 0 0 63 -4,-2.9 3,-0.3 1,-0.3 4,-0.3 0.580 82.6 72.7 -57.2 -12.7 10.1 3.4 18.9 16 17 A T T 3 S+ 0 0 99 -3,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.555 100.1 46.1 -78.7 -6.6 6.7 1.9 18.6 17 18 A Y S <> S+ 0 0 72 -3,-3.1 4,-3.2 2,-0.1 3,-0.4 0.495 74.5 107.2-115.2 -9.2 8.3 -1.6 18.4 18 19 A N H > S+ 0 0 10 -4,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.855 88.6 43.3 -30.4 -51.2 10.8 -1.3 21.3 19 20 A E H > S+ 0 0 58 -4,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.877 111.9 51.2 -74.1 -35.8 8.6 -3.7 23.2 20 21 A H H > S+ 0 0 52 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.935 112.8 48.4 -62.9 -43.3 7.9 -6.1 20.3 21 22 A I H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.951 110.9 48.5 -64.2 -52.8 11.7 -6.3 19.7 22 23 A R H X S+ 0 0 24 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.924 114.3 46.3 -50.6 -50.3 12.6 -6.9 23.4 23 24 A D H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.963 114.7 45.5 -60.2 -50.5 9.9 -9.7 23.7 24 25 A E H X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.850 112.1 53.6 -63.1 -32.8 10.8 -11.4 20.5 25 26 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 410,-0.2 411,-0.3 0.872 106.0 50.8 -72.4 -40.1 14.5 -11.1 21.4 26 27 A I H X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.970 108.2 53.7 -60.4 -53.5 14.2 -12.8 24.8 27 28 A E H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.949 109.6 47.5 -41.9 -57.0 12.3 -15.6 23.1 28 29 A Q H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 109.3 54.2 -54.3 -46.0 15.3 -16.0 20.7 29 30 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.974 105.6 53.5 -49.2 -60.7 17.6 -15.9 23.7 30 31 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.870 109.0 48.2 -38.9 -51.1 15.6 -18.7 25.3 31 32 A Y H X S+ 0 0 46 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.908 108.0 54.3 -61.0 -46.1 16.1 -20.9 22.0 32 33 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 -3,-0.2 5,-0.4 0.929 113.5 44.1 -48.1 -51.4 19.8 -20.2 21.9 33 34 A F H X S+ 0 0 17 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.888 111.9 51.1 -62.1 -43.0 19.9 -21.5 25.5 34 35 A Q H < S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.856 120.1 35.6 -67.1 -33.5 17.7 -24.5 24.9 35 36 A A H < S+ 0 0 24 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.803 134.0 21.0 -87.0 -33.8 19.8 -25.5 21.9 36 37 A A H >< S+ 0 0 0 -4,-2.6 3,-2.6 -5,-0.3 239,-0.2 0.561 89.9 99.0-119.7 -13.5 23.3 -24.6 23.1 37 38 A G T 3< S+ 0 0 19 -4,-2.2 238,-0.4 -5,-0.4 -3,-0.1 0.840 87.6 49.7 -39.3 -45.7 23.1 -24.4 26.8 38 39 A K T 3 S+ 0 0 193 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.245 75.2 130.8 -89.6 11.9 24.5 -27.9 27.1 39 40 A R < + 0 0 3 -3,-2.6 236,-0.4 417,-0.1 2,-0.3 -0.432 34.4 178.1 -54.9 139.9 27.6 -27.5 24.8 40 41 A D + 0 0 85 418,-0.1 234,-0.2 234,-0.1 -2,-0.0 -0.926 49.1 26.8-139.8 162.1 30.6 -28.8 26.6 41 42 A N + 0 0 129 -2,-0.3 233,-0.2 1,-0.2 -1,-0.1 0.565 68.3 166.5 64.3 11.6 34.4 -29.3 25.8 42 43 A D - 0 0 10 231,-1.6 -1,-0.2 230,-0.2 2,-0.1 -0.253 38.1-116.0 -51.3 136.3 34.5 -26.4 23.3 43 44 A P - 0 0 48 0, 0.0 2,-2.3 0, 0.0 422,-0.2 -0.404 27.6 -92.6 -81.1 165.2 38.1 -25.7 22.6 44 45 A L + 0 0 16 -2,-0.1 67,-2.6 226,-0.1 2,-0.3 -0.482 57.7 163.7 -74.2 75.3 39.9 -22.5 23.4 45 46 A F E +B 110 0B 48 -2,-2.3 226,-2.4 65,-0.2 2,-0.3 -0.690 10.6 161.0 -82.2 150.4 39.4 -20.7 20.0 46 47 A W E +BC 109 270B 6 63,-2.0 63,-2.2 -2,-0.3 2,-0.3 -0.971 14.9 177.4-164.9 166.2 40.1 -16.9 20.2 47 48 A G E - C 0 269B 11 222,-1.8 222,-3.0 -2,-0.3 2,-0.2 -0.961 22.3-117.3-171.5 155.7 40.9 -13.9 18.1 48 49 A D E - C 0 268B 2 -2,-0.3 2,-0.4 220,-0.2 220,-0.2 -0.646 11.9-145.9 -98.9 159.2 41.5 -10.2 18.1 49 50 A E E - C 0 267B 37 218,-2.8 218,-2.1 -2,-0.2 2,-0.3 -0.998 17.9-165.4-120.0 125.0 39.7 -7.3 16.4 50 51 A L E -F 103 0C 0 53,-2.3 53,-2.0 -2,-0.4 2,-0.4 -0.871 4.3-155.5-112.1 151.0 41.8 -4.4 15.2 51 52 A E E -F 102 0C 1 214,-0.4 2,-0.3 -2,-0.3 51,-0.2 -0.973 13.1-170.6-130.8 140.3 40.6 -1.0 14.2 52 53 A Y E -F 101 0C 2 49,-3.1 49,-1.8 -2,-0.4 2,-0.5 -0.853 17.3-144.0-136.2 157.3 42.4 1.4 11.9 53 54 A M E -FG 100 153C 0 100,-2.5 100,-2.6 -2,-0.3 2,-0.6 -0.993 16.7-138.9-128.5 121.4 42.2 4.9 10.7 54 55 A V E - G 0 152C 7 45,-3.5 13,-3.3 -2,-0.5 2,-0.4 -0.745 25.9-168.1 -85.7 118.4 43.1 5.9 7.1 55 56 A V E -HG 66 151C 0 96,-3.1 96,-2.9 -2,-0.6 2,-0.8 -0.906 13.5-146.8-112.4 132.2 45.0 9.1 7.4 56 57 A D E -HG 65 150C 2 9,-3.0 9,-2.4 -2,-0.4 2,-0.7 -0.894 11.1-154.5-103.2 107.9 45.8 11.2 4.3 57 58 A F E -HG 64 149C 0 92,-3.2 92,-1.4 -2,-0.8 2,-1.0 -0.790 6.9-168.3 -80.6 116.0 49.2 13.0 4.6 58 59 A D E >> +HG 63 148C 29 5,-3.0 5,-1.7 -2,-0.7 4,-0.7 -0.818 11.2 179.9-100.3 84.6 49.2 16.1 2.5 59 60 A D T >45S+ 0 0 56 -2,-1.0 3,-1.1 88,-0.6 -1,-0.2 0.893 75.0 54.1 -61.0 -43.1 52.9 16.6 2.8 60 61 A K T 345S+ 0 0 172 87,-0.4 -1,-0.2 1,-0.3 88,-0.1 0.925 115.7 39.6 -59.1 -44.0 53.1 19.7 0.7 61 62 A E T 345S- 0 0 130 86,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.533 106.8-126.6 -76.9 -4.9 50.4 21.4 2.9 62 63 A R T <<5 + 0 0 88 -3,-1.1 2,-0.4 -4,-0.7 573,-0.3 0.955 66.3 132.9 48.1 56.9 51.9 19.9 6.1 63 64 A N E < -H 58 0C 9 -5,-1.7 -5,-3.0 572,-0.1 2,-0.6 -0.989 46.4-158.5-141.1 125.9 48.5 18.5 7.0 64 65 A S E +H 57 0C 1 -2,-0.4 2,-0.3 567,-0.4 -7,-0.2 -0.929 24.6 176.0-105.7 125.3 47.3 15.1 8.2 65 66 A M E -H 56 0C 15 -9,-2.4 -9,-3.0 -2,-0.6 2,-0.5 -0.824 36.9-104.5-122.0 165.2 43.7 14.4 7.6 66 67 A L E -Hi 55 167C 0 100,-3.1 102,-1.6 -2,-0.3 2,-1.0 -0.786 38.6-129.6 -83.5 130.3 41.3 11.6 8.0 67 68 A D + 0 0 2 -13,-3.3 3,-0.3 -2,-0.5 -13,-0.2 -0.734 35.2 167.7 -89.7 105.0 40.7 10.0 4.6 68 69 A V + 0 0 2 -2,-1.0 3,-0.2 1,-0.2 -1,-0.1 0.145 66.0 68.3 -97.1 17.1 36.9 9.7 4.0 69 70 A C S S+ 0 0 42 1,-0.1 3,-0.3 2,-0.1 -1,-0.2 0.582 83.6 60.9-115.6 -15.1 37.2 8.9 0.3 70 71 A H > + 0 0 13 -3,-0.3 3,-1.0 1,-0.2 -1,-0.1 -0.159 64.4 122.2-104.6 42.6 38.8 5.5 0.0 71 72 A D T > + 0 0 20 1,-0.2 3,-1.1 -3,-0.2 4,-0.3 0.558 51.7 81.5 -81.5 -4.1 36.0 3.8 1.8 72 73 A K T >> S+ 0 0 76 -3,-0.3 4,-3.2 1,-0.3 3,-1.7 0.703 70.9 85.2 -68.2 -23.1 35.2 1.4 -1.1 73 74 A I H <> S+ 0 0 2 -3,-1.0 4,-3.0 1,-0.3 -1,-0.3 0.828 82.0 58.8 -42.8 -39.2 38.1 -0.6 0.2 74 75 A L H <4 S+ 0 0 2 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.734 111.7 39.5 -72.6 -24.2 35.7 -2.3 2.7 75 76 A T H X> S+ 0 0 59 -3,-1.7 4,-0.9 -4,-0.3 3,-0.8 0.810 114.0 53.9 -89.0 -38.5 33.6 -3.5 -0.2 76 77 A E H ><>S+ 0 0 37 -4,-3.2 5,-2.3 1,-0.3 3,-2.0 0.987 106.9 49.3 -61.1 -54.8 36.4 -4.4 -2.4 77 78 A L T 3<5S+ 0 0 1 -4,-3.0 -1,-0.3 1,-0.3 8,-0.2 0.654 115.7 47.9 -56.4 -12.8 38.1 -6.6 0.2 78 79 A N T <45S+ 0 0 35 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.475 122.4 26.3-111.1 -0.4 34.7 -8.3 0.6 79 80 A M T X<5S+ 0 0 126 -3,-2.0 3,-2.0 -4,-0.9 4,-0.4 0.341 134.1 7.5-118.7-101.2 33.9 -8.8 -3.1 80 81 A E T 3 5S+ 0 0 114 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.753 138.8 41.6 -65.4 -20.1 36.5 -9.1 -5.8 81 82 A D T 3> S+ 0 0 36 -3,-2.0 4,-1.5 -6,-0.4 -1,-0.2 0.725 81.9 58.1 -62.7 -21.4 37.6 -11.4 -0.6 83 84 A S H > S+ 0 0 75 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.841 99.8 53.8 -78.4 -37.9 39.8 -14.2 -2.0 84 85 A L H > S+ 0 0 64 -3,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.947 111.3 50.0 -55.3 -42.6 43.1 -12.3 -1.3 85 86 A C H ><>S+ 0 0 5 -4,-1.6 5,-2.4 -8,-0.2 3,-0.7 0.901 110.8 46.3 -62.7 -44.0 41.8 -12.1 2.2 86 87 A E H ><5S+ 0 0 130 -4,-1.5 3,-2.3 1,-0.3 -1,-0.2 0.956 106.4 55.9 -72.4 -53.1 41.0 -15.7 2.5 87 88 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.738 115.7 43.2 -36.5 -29.2 44.2 -17.0 1.1 88 89 A N T <<5S- 0 0 48 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.3 0.411 111.2-118.2-113.4 3.0 45.7 -14.9 3.8 89 90 A D T < 5S+ 0 0 35 -3,-2.3 17,-2.1 -4,-0.3 18,-0.4 0.834 71.7 122.2 63.3 37.2 43.5 -15.7 6.7 90 91 A V E < -J 105 0C 2 -5,-2.4 2,-0.3 15,-0.3 -1,-0.2 -0.905 40.8-164.0-126.7 160.5 42.2 -12.1 7.2 91 92 A S E -J 104 0C 26 13,-2.1 13,-2.1 -2,-0.3 2,-0.4 -0.998 6.5-151.1-142.9 135.2 38.8 -10.6 7.2 92 93 A F E +J 103 0C 2 -2,-0.3 11,-0.2 11,-0.2 -2,-0.0 -0.933 14.7 176.2-114.2 141.1 37.6 -6.9 6.9 93 94 A H E -J 102 0C 43 9,-2.7 9,-1.3 -2,-0.4 -91,-0.2 -0.943 31.2-103.8-134.5 159.7 34.4 -5.3 8.3 94 95 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.371 31.6-163.7 -83.4 153.8 33.1 -1.7 8.4 95 96 A E - 0 0 21 2,-0.4 96,-0.2 5,-0.4 5,-0.2 -0.813 40.3 -87.9-129.7 168.7 33.1 0.5 11.5 96 97 A Y S S+ 0 0 3 -2,-0.3 95,-2.9 165,-0.2 2,-0.2 0.904 106.1 76.1 -42.2 -52.4 31.3 3.7 12.5 97 98 A G B > S-K 190 0D 0 164,-0.5 3,-1.8 93,-0.2 -2,-0.4 -0.425 72.1-146.8 -72.8 130.0 34.0 5.9 10.9 98 99 A R T 3 S+ 0 0 34 91,-3.0 -1,-0.1 1,-0.3 92,-0.1 0.783 106.9 50.0 -60.6 -22.6 34.0 6.3 7.1 99 100 A Y T 3 S+ 0 0 2 90,-0.4 -45,-3.5 -31,-0.1 2,-0.4 0.303 98.2 102.3 -95.5 7.2 37.8 6.6 7.5 100 101 A M E < -F 53 0C 2 -3,-1.8 -5,-0.4 -47,-0.2 2,-0.4 -0.744 49.3-167.9-104.6 142.5 37.9 3.5 9.6 101 102 A L E -F 52 0C 2 -49,-1.8 -49,-3.1 -2,-0.4 2,-0.3 -0.915 2.1-165.9-114.9 147.0 38.9 -0.1 8.9 102 103 A E E +FJ 51 93C 8 -9,-1.3 -9,-2.7 -2,-0.4 2,-0.3 -0.998 13.8 172.9-128.6 144.2 38.3 -3.1 11.1 103 104 A A E +FJ 50 92C 0 -53,-2.0 -53,-2.3 -2,-0.3 -11,-0.2 -1.000 8.7 175.2-151.9 144.6 40.0 -6.5 10.5 104 105 A T E - J 0 91C 21 -13,-2.1 -13,-2.1 -2,-0.3 -55,-0.1 -0.868 46.8 -80.3-137.9 166.5 40.4 -9.9 12.2 105 106 A P E - J 0 90C 8 0, 0.0 -15,-0.3 0, 0.0 -16,-0.1 -0.429 42.6-126.4 -59.3 154.7 42.0 -13.3 11.4 106 107 A A S S+ 0 0 50 -17,-2.1 -16,-0.2 -21,-0.2 -17,-0.1 0.824 97.1 29.6 -76.2 -27.7 39.6 -15.1 9.0 107 108 A S S S- 0 0 74 -18,-0.4 -1,-0.2 -61,-0.0 -16,-0.0 -0.976 97.5-104.6-124.7 142.6 39.6 -18.1 11.4 108 109 A P - 0 0 68 0, 0.0 -61,-0.2 0, 0.0 2,-0.1 -0.351 38.2-108.4 -64.4 146.2 40.1 -17.9 15.2 109 110 A Y E -B 46 0B 8 -63,-2.2 -63,-2.0 2,-0.0 2,-0.6 -0.376 27.2-133.6 -59.3 149.2 43.5 -19.0 16.6 110 111 A L E -B 45 0B 83 -65,-0.2 -65,-0.2 -2,-0.1 -1,-0.0 -0.967 58.7 -49.7-114.4 116.1 43.4 -22.3 18.5 111 112 A N S S- 0 0 70 -67,-2.6 2,-0.5 -2,-0.6 -65,-0.1 -0.190 117.1 -1.1 55.8-145.6 45.3 -22.2 21.8 112 113 A Y + 0 0 46 1,-0.1 -2,-0.1 -3,-0.1 375,-0.0 -0.630 61.0 169.2 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-49.9 9.2 -8.2 32.9 389 390 A V H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.929 112.3 48.0 -65.8 -46.7 12.3 -9.6 31.2 390 391 A L H X S+ 0 0 20 -4,-2.4 4,-2.2 2,-0.2 3,-0.4 0.955 111.6 53.3 -51.1 -54.8 13.7 -11.0 34.5 391 392 A G H X S+ 0 0 35 -4,-3.1 4,-2.4 1,-0.3 3,-0.4 0.915 110.6 45.5 -42.8 -57.5 10.2 -12.5 35.1 392 393 A R H < S+ 0 0 76 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.772 111.6 50.2 -68.6 -28.8 10.2 -14.2 31.7 393 394 A L H < S+ 0 0 0 -4,-2.1 8,-2.4 -3,-0.4 -1,-0.2 0.764 114.0 46.9 -79.5 -25.0 13.8 -15.6 31.9 394 395 A L H < S+ 0 0 46 -4,-2.2 2,-0.5 -3,-0.4 -2,-0.2 0.875 120.4 36.8 -77.1 -37.9 13.0 -17.0 35.4 395 396 A E S < S+ 0 0 157 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 -0.850 83.0 108.9-129.5 93.7 9.7 -18.6 34.4 396 397 A N - 0 0 17 -2,-0.5 -3,-0.0 -3,-0.2 -4,-0.0 -0.954 63.5-119.0-159.4 167.8 9.4 -20.1 30.9 397 398 A D S S+ 0 0 138 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.284 102.5 49.8-104.8 8.1 9.1 -23.5 29.3 398 399 A K S S- 0 0 34 1,-0.1 -1,-0.2 -371,-0.0 -371,-0.0 0.721 126.3 -3.6-112.9 -37.7 12.2 -23.6 27.1 399 400 A A - 0 0 11 2,-0.0 2,-0.4 -6,-0.0 -2,-0.1 -0.503 60.4-161.0-163.7 85.9 15.1 -22.5 29.4 400 401 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.604 25.0-151.7 -76.7 128.4 14.5 -21.4 33.0 401 402 A L - 0 0 19 -8,-2.4 2,-0.0 -2,-0.4 -2,-0.0 -0.628 15.8-100.4-105.2 157.6 17.6 -19.4 34.1 402 403 A D > - 0 0 62 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.349 37.8-112.2 -73.0 157.0 19.3 -18.8 37.4 403 404 A Y H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.957 113.1 50.2 -57.8 -53.3 18.5 -15.5 39.1 404 405 A D H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.946 113.8 44.5 -53.9 -52.2 22.0 -14.0 38.7 405 406 A L H > S+ 0 0 3 1,-0.2 4,-1.4 -37,-0.2 -1,-0.2 0.841 112.3 54.4 -60.7 -34.8 22.2 -14.8 34.9 406 407 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.839 103.3 56.1 -61.8 -39.0 18.6 -13.5 34.5 407 408 A K H X S+ 0 0 32 -4,-2.3 4,-2.3 -3,-0.5 -2,-0.2 0.871 102.2 55.9 -64.3 -42.2 19.4 -10.2 36.1 408 409 A H H X S+ 0 0 8 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.937 114.3 38.6 -56.6 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2.1 18.2 419 420 A S + 0 0 7 -217,-0.1 2,-0.3 -409,-0.1 -1,-0.3 -0.708 64.3 158.2-164.6 122.9 18.5 0.7 14.7 420 421 A T - 0 0 4 -411,-0.4 -411,-1.1 -2,-0.2 2,-0.2 -0.993 28.2-137.5-146.4 130.9 16.0 -1.7 13.2 421 422 A F B -A 8 0A 33 -2,-0.3 4,-0.1 -413,-0.2 -2,-0.0 -0.629 18.0-127.7 -92.9 152.7 15.2 -2.4 9.6 422 423 A E S > S+ 0 0 100 -415,-2.5 3,-1.8 -2,-0.2 4,-0.2 0.927 107.9 58.0 -64.6 -47.1 11.6 -2.9 8.2 423 424 A E G > S+ 0 0 114 1,-0.2 3,-0.7 -416,-0.1 -1,-0.2 0.935 105.0 54.7 -35.1 -61.0 12.5 -6.3 6.6 424 425 A L G 3 S+ 0 0 58 1,-0.2 -1,-0.2 10,-0.0 -2,-0.2 0.245 72.5 106.3 -68.7 6.6 13.5 -7.6 10.0 425 426 A L G < S+ 0 0 18 -3,-1.8 2,-0.6 1,-0.2 -1,-0.2 0.878 83.0 37.2 -64.9 -39.2 10.4 -6.9 12.1 426 427 A N S < S+ 0 0 122 -3,-0.7 2,-0.2 -4,-0.2 -1,-0.2 -0.919 74.8 174.5-118.5 116.2 9.2 -10.5 12.3 427 428 A Q - 0 0 29 -2,-0.6 2,-0.9 -3,-0.1 3,-0.0 -0.605 42.3-107.4-108.2 168.5 11.7 -13.3 12.7 428 429 A D >> - 0 0 83 -2,-0.2 4,-3.2 1,-0.1 3,-2.4 -0.875 32.0-156.1 -86.8 102.1 11.6 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44.3 508 509 A H >> - 0 0 47 34,-0.3 3,-2.4 -2,-0.3 4,-1.3 -0.456 37.0-133.3 -68.9 130.5 32.9 -5.6 44.8 509 510 A M H 3> S+ 0 0 0 -131,-2.7 4,-2.2 1,-0.3 5,-0.3 0.844 102.0 67.8 -48.4 -37.1 31.7 -4.1 41.6 510 511 A S H 3> S+ 0 0 38 -132,-0.3 4,-1.6 1,-0.3 -1,-0.3 0.817 98.1 51.1 -61.5 -27.5 31.8 -0.7 43.1 511 512 A K H <> S+ 0 0 50 -3,-2.4 4,-3.6 2,-0.2 20,-0.3 0.895 106.7 55.7 -75.2 -35.1 35.6 -0.8 43.4 512 513 A V H X S+ 0 0 3 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.931 107.0 48.5 -59.9 -42.2 35.7 -1.7 39.7 513 514 A W H X S+ 0 0 39 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.915 112.5 48.4 -67.4 -39.7 33.6 1.3 38.7 514 515 A E H X S+ 0 0 93 -4,-1.6 4,-2.8 -5,-0.3 5,-0.3 0.936 109.6 53.3 -62.1 -43.3 35.9 3.5 40.8 515 516 A N H X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 -2,-0.2 0.959 103.0 58.2 -57.0 -45.2 38.8 1.7 39.1 516 517 A M H < S+ 0 0 9 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.869 109.5 43.3 -56.7 -38.3 37.3 2.6 35.8 517 518 A K H >< S+ 0 0 145 -4,-1.8 3,-2.0 -3,-0.2 4,-0.5 0.958 111.8 51.8 -71.5 -48.2 37.4 6.4 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2,-0.2 -0.778 28.7-117.5-122.2 159.2 48.2 -1.0 44.3 548 549 A S E > -T 529 0L 25 -2,-0.3 4,-3.4 -19,-0.3 5,-0.2 -0.462 36.9-106.7 -85.6 166.9 50.0 0.7 41.5 549 550 A I H > S+ 0 0 0 -21,-0.5 4,-2.3 -24,-0.3 5,-0.2 0.933 124.4 55.7 -61.9 -40.1 50.1 -0.7 38.0 550 551 A S H > S+ 0 0 44 -25,-0.4 4,-1.7 52,-0.3 -1,-0.2 0.911 111.7 42.0 -56.5 -43.5 53.6 -1.7 38.6 551 552 A E H > S+ 0 0 66 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.953 110.3 56.2 -69.1 -48.1 52.5 -3.6 41.7 552 553 A I H < S+ 0 0 0 -4,-3.4 8,-2.8 1,-0.3 -2,-0.2 0.778 114.5 41.0 -54.4 -31.0 49.5 -5.1 40.0 553 554 A F H < S+ 0 0 0 -4,-2.3 8,-3.4 6,-0.3 -1,-0.3 0.845 128.8 24.0 -81.7 -34.7 51.8 -6.5 37.3 554 555 A H H < S+ 0 0 53 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.514 77.6 122.6-119.0 -13.5 54.7 -7.7 39.5 555 556 A N X - 0 0 34 -4,-3.2 4,-2.2 -5,-0.2 8,-0.2 -0.340 57.0-138.4 -52.3 125.2 53.7 -8.4 43.1 556 557 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 0.928 98.9 46.3 -52.4 -42.6 54.6 -11.9 44.0 557 558 A E T 4 S- 0 0 129 1,-0.2 -21,-0.4 -22,-0.1 -2,-0.0 0.916 136.2 -1.0 -69.4 -43.9 51.3 -12.3 45.9 558 559 A N T 4 S+ 0 0 2 -7,-0.2 -1,-0.2 -23,-0.1 2,-0.2 0.092 93.1 132.3-140.3 18.4 48.6 -10.8 43.6 559 560 A G X - 0 0 0 -4,-2.2 4,-2.7 -5,-0.1 5,-0.4 -0.483 60.9-125.3 -79.5 151.6 50.5 -9.7 40.5 560 561 A I H >>S+ 0 0 0 -8,-2.8 5,-2.5 3,-0.2 4,-1.5 0.887 109.0 44.4 -59.7 -41.6 49.6 -10.4 36.9 561 562 A F H 4>S+ 0 0 2 -8,-3.4 5,-3.4 3,-0.2 -1,-0.2 0.990 121.0 34.7 -72.3 -54.2 53.0 -11.9 36.1 562 563 A P H 45S+ 0 0 41 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.835 128.7 36.5 -73.1 -25.7 53.6 -14.1 39.2 563 564 A Q H <5S+ 0 0 28 -4,-2.7 -3,-0.2 -8,-0.2 -2,-0.2 0.712 135.7 8.6 -93.9 -22.1 50.0 -15.0 39.6 564 565 A F T X5S+ 0 0 1 -4,-1.5 4,-1.6 -5,-0.4 -3,-0.2 0.706 127.8 36.3-123.0 -68.5 48.8 -15.3 36.1 565 566 A V H > S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.880 108.4 48.7 -56.0 -44.3 52.3 -20.0 36.3 568 569 A I H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.3 -2,-0.2 0.867 107.0 57.3 -67.3 -32.6 50.6 -20.9 32.9 569 570 A L H <>S+ 0 0 0 -4,-1.7 5,-2.5 -3,-0.2 6,-1.2 0.789 106.7 51.9 -62.6 -30.3 54.0 -20.7 31.2 570 571 A C H ><5S+ 0 0 45 -4,-1.3 3,-1.7 -3,-0.2 -2,-0.2 0.967 108.1 46.9 -68.6 -53.1 55.2 -23.3 33.7 571 572 A Q H 3<5S+ 0 0 105 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.678 115.1 48.5 -69.8 -13.1 52.3 -25.8 33.1 572 573 A K T 3<5S- 0 0 59 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.569 113.0-126.4 -91.5 -14.4 52.9 -25.4 29.4 573 574 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.774 70.3 129.7 72.2 27.9 56.6 -25.9 29.9 574 575 A F S - 0 0 55 1,-0.1 3,-1.4 -9,-0.1 4,-0.3 -0.946 58.9-130.1-135.3 144.4 60.3 -17.5 35.7 579 580 A W G > S+ 0 0 12 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.870 104.3 69.8 -55.5 -38.1 59.0 -15.7 32.5 580 581 A K G > S+ 0 0 121 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.745 78.1 79.3 -56.6 -21.1 62.3 -14.0 32.1 581 582 A E G X S+ 0 0 68 -3,-1.4 3,-2.3 1,-0.3 4,-0.3 0.872 76.7 75.5 -55.2 -41.4 63.9 -17.3 31.1 582 583 A L G X S+ 0 0 0 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.3 0.696 75.0 75.4 -33.7 -37.8 62.4 -16.8 27.6 583 584 A K G < S+ 0 0 86 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.789 106.9 37.2 -51.0 -27.9 65.0 -14.2 26.7 584 585 A H G < S+ 0 0 170 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.464 95.3 114.7-105.0 -3.2 67.3 -17.2 26.3 585 586 A S < - 0 0 31 -3,-1.5 4,-0.3 -4,-0.3 7,-0.1 -0.302 53.2-151.1 -74.5 146.7 64.7 -19.6 24.8 586 587 A S S > S+ 0 0 122 2,-0.1 3,-0.9 1,-0.1 -1,-0.1 0.976 95.4 36.0 -77.2 -66.4 65.0 -21.1 21.3 587 588 A K T 3 S+ 0 0 81 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.612 127.6 37.5 -61.0 -11.4 61.4 -21.7 20.4 588 589 A H T 3> + 0 0 43 -6,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.065 62.1 125.0-142.1 24.7 60.1 -18.5 22.3 589 590 A E H <> S+ 0 0 70 -3,-0.9 4,-1.4 -4,-0.3 3,-0.2 0.913 77.6 55.8 -56.0 -43.5 62.3 -15.5 22.1 590 591 A R H > S+ 0 0 15 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.916 100.2 59.1 -65.0 -43.2 59.6 -13.1 20.8 591 592 A L H > S+ 0 0 5 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.934 101.0 58.2 -47.9 -47.8 57.3 -13.9 23.6 592 593 A Y H X S+ 0 0 20 -4,-1.5 4,-2.6 -10,-0.2 -1,-0.3 0.918 106.6 46.6 -45.6 -48.5 60.1 -12.6 25.9 593 594 A Y H X S+ 0 0 18 -4,-1.4 4,-2.4 -3,-0.5 -1,-0.2 0.845 109.5 53.6 -75.7 -28.4 60.0 -9.3 24.2 594 595 A Y H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.969 113.4 43.1 -55.4 -55.6 56.2 -9.0 24.3 595 596 A L H X S+ 0 0 2 -4,-2.7 4,-3.8 1,-0.2 -2,-0.2 0.879 113.8 50.8 -67.9 -33.4 56.3 -9.6 28.0 596 597 A K H X S+ 0 0 30 -4,-2.6 4,-3.3 -5,-0.3 -1,-0.2 0.908 108.8 50.8 -69.1 -41.1 59.2 -7.3 28.6 597 598 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.910 114.5 47.3 -54.7 -41.1 57.5 -4.5 26.6 598 599 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 3,-0.4 0.981 114.6 43.5 -69.3 -55.1 54.5 -5.3 28.9 599 600 A S H X S+ 0 0 13 -4,-3.8 4,-2.8 1,-0.2 6,-0.2 0.931 111.8 53.4 -48.7 -55.5 56.5 -5.3 32.1 600 601 A D H <>S+ 0 0 13 -4,-3.3 6,-2.1 1,-0.3 5,-1.1 0.763 110.7 45.9 -64.0 -28.1 58.6 -2.2 31.2 601 602 A R H ><5S+ 0 0 2 -4,-1.7 3,-1.4 -3,-0.4 -1,-0.3 0.871 111.5 52.3 -75.7 -38.6 55.5 -0.1 30.5 602 603 A A H 3<5S+ 0 0 1 -4,-2.0 -52,-0.3 1,-0.3 -2,-0.2 0.875 111.3 47.5 -62.5 -40.9 53.7 -1.2 33.7 603 604 A S T 3<5S- 0 0 52 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.323 116.7-117.1 -83.5 13.6 56.7 -0.3 35.7 604 605 A G T < 5S+ 0 0 31 -3,-1.4 -3,-0.2 2,-0.2 -4,-0.1 0.507 83.8 116.7 65.2 2.8 57.0 3.1 34.0 605 606 A E S - 0 0 5 1,-0.1 4,-3.0 -7,-0.1 5,-0.2 -0.523 31.9-111.6 -83.9 166.9 52.6 4.7 27.0 609 610 A T H > S+ 0 0 1 -312,-0.6 4,-3.3 -313,-0.2 5,-0.3 0.940 123.4 55.1 -62.0 -43.3 51.5 5.8 23.5 610 611 A A H > S+ 0 0 0 -313,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.911 110.0 45.4 -52.8 -47.4 49.5 8.4 25.4 611 612 A K H > S+ 0 0 38 -314,-0.3 4,-3.2 2,-0.2 5,-0.2 0.935 112.2 51.0 -59.8 -52.8 52.6 9.6 27.2 612 613 A F H X S+ 0 0 21 -4,-3.0 4,-2.8 1,-0.3 -2,-0.2 0.917 111.1 46.7 -58.3 -46.0 54.7 9.6 24.1 613 614 A F H X S+ 0 0 8 -4,-3.3 4,-2.6 2,-0.2 -1,-0.3 0.827 113.5 51.3 -62.2 -34.1 52.1 11.6 22.1 614 615 A R H X S+ 0 0 4 -4,-1.6 4,-2.9 -5,-0.3 5,-0.3 0.992 110.5 46.1 -68.7 -59.0 51.9 14.1 25.0 615 616 A N H X S+ 0 0 55 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.928 112.4 54.2 -43.7 -53.2 55.6 14.6 25.3 616 617 A F H X S+ 0 0 40 -4,-2.8 4,-0.5 -5,-0.2 3,-0.3 0.926 111.6 41.8 -50.8 -56.7 55.6 15.0 21.5 617 618 A V H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.944 113.3 54.3 -55.1 -47.4 53.0 17.8 21.5 618 619 A L H 3< S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 114.6 38.4 -59.0 -37.4 54.6 19.5 24.6 619 620 A Q H 3< S+ 0 0 143 -4,-2.5 -1,-0.3 -3,-0.3 -2,-0.2 0.245 82.4 124.9-102.0 12.9 58.1 19.8 23.1 620 621 A H X< - 0 0 18 -3,-1.3 3,-2.0 -4,-0.5 13,-0.1 -0.551 67.6-127.4 -67.1 133.8 57.1 20.6 19.5 621 622 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 12,-0.0 0.863 110.8 48.5 -46.9 -41.8 58.8 23.9 18.3 622 623 A D T 3 S+ 0 0 68 8,-0.0 2,-0.2 2,-0.0 11,-0.1 0.409 80.8 123.7 -84.5 3.3 55.3 25.3 17.3 623 624 A Y < - 0 0 9 -3,-2.0 6,-0.1 1,-0.1 -5,-0.0 -0.477 48.1-160.5 -64.4 130.5 53.7 24.3 20.6 624 625 A K - 0 0 140 4,-0.3 -1,-0.1 -2,-0.2 -402,-0.1 0.235 34.7-114.6-100.8 12.3 52.2 27.5 22.1 625 626 A H S S+ 0 0 100 3,-0.1 -403,-2.7 -7,-0.1 -402,-0.4 0.715 95.0 100.0 66.9 24.3 51.8 26.5 25.8 626 627 A D S S- 0 0 23 -404,-0.2 3,-0.1 -405,-0.2 -1,-0.1 0.129 100.2-104.7-127.3 13.0 48.1 26.7 25.4 627 628 A S S S+ 0 0 0 1,-0.2 -321,-1.5 -404,-0.1 2,-0.5 0.714 73.0 145.3 69.7 18.9 47.1 23.0 25.0 628 629 A K B -P 305 0H 74 -323,-0.2 2,-0.7 -11,-0.1 -4,-0.3 -0.753 41.2-156.4-100.1 133.4 46.6 23.5 21.2 629 630 A I - 0 0 5 -325,-3.2 2,-0.3 -2,-0.5 -6,-0.0 -0.926 19.8-163.2-103.2 112.9 47.3 21.0 18.6 630 631 A S > - 0 0 40 -2,-0.7 4,-3.2 1,-0.1 5,-0.3 -0.650 37.7-100.6 -91.1 152.5 47.8 22.9 15.3 631 632 A K H > S+ 0 0 77 -2,-0.3 4,-2.4 1,-0.2 -567,-0.4 0.851 125.7 51.4 -29.3 -46.7 47.7 21.3 11.8 632 633 A S H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.952 109.6 45.4 -66.0 -52.5 51.6 21.4 12.0 633 634 A I H > S+ 0 0 0 1,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.955 115.6 50.0 -52.8 -49.7 51.9 19.7 15.4 634 635 A N H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.881 110.5 50.2 -55.1 -41.4 49.3 17.1 14.1 635 636 A Y H X S+ 0 0 25 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.963 112.9 42.6 -68.9 -52.4 51.2 16.6 10.9 636 637 A D H X S+ 0 0 36 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.910 115.3 52.4 -61.0 -39.9 54.6 15.9 12.5 637 638 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.955 111.8 43.3 -56.1 -55.8 53.0 13.7 15.2 638 639 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.828 111.1 58.6 -66.4 -24.9 51.2 11.6 12.7 639 640 A S H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.947 106.7 45.8 -65.4 -46.6 54.4 11.5 10.7 640 641 A T H X S+ 0 0 2 -4,-2.6 4,-3.6 2,-0.2 -2,-0.2 0.906 110.4 55.0 -57.3 -41.8 56.2 10.1 13.6 641 642 A C H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.898 107.2 51.1 -61.6 -39.1 53.3 7.6 14.0 642 643 A D H X S+ 0 0 19 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.919 113.4 42.4 -62.4 -46.2 53.8 6.6 10.5 643 644 A R H ><>S+ 0 0 51 -4,-2.3 5,-2.6 2,-0.2 3,-1.0 0.944 114.9 50.6 -67.7 -43.3 57.5 6.0 10.9 644 645 A L H ><5S+ 0 0 1 -4,-3.6 3,-2.8 1,-0.3 -2,-0.2 0.963 105.7 56.1 -59.2 -52.1 57.0 4.2 14.2 645 646 A T H 3<5S+ 0 0 13 -4,-3.1 -166,-0.3 1,-0.3 -1,-0.3 0.775 112.3 45.1 -45.7 -29.5 54.4 2.0 12.7 646 647 A H T <<5S- 0 0 80 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.326 113.1-113.2-107.0 11.7 57.0 1.0 10.2 647 648 A L T < 5 + 0 0 52 -3,-2.8 2,-1.3 -4,-0.2 -3,-0.2 0.829 58.1 162.0 63.8 33.9 60.0 0.4 12.5 648 649 A D > < + 0 0 60 -5,-2.6 3,-0.6 1,-0.2 5,-0.4 -0.682 12.6 170.1 -91.9 95.9 61.6 3.4 10.9 649 650 A D G > + 0 0 23 -2,-1.3 3,-3.5 1,-0.2 -1,-0.2 0.386 40.8 116.2 -87.1 10.9 64.4 4.4 13.3 650 651 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.772 87.0 35.4 -51.6 -28.7 66.0 6.8 10.9 651 652 A K G < S- 0 0 144 -3,-0.6 -1,-0.3 -11,-0.1 -2,-0.1 0.154 115.9-113.5-107.9 22.3 65.1 9.7 13.3 652 653 A G S <> S+ 0 0 33 -3,-3.5 4,-1.8 1,-0.1 -3,-0.1 0.724 80.9 127.2 52.3 29.7 65.7 7.5 16.5 653 654 A E H > + 0 0 28 -5,-0.4 4,-0.8 2,-0.2 -4,-0.1 0.838 69.7 49.8 -87.4 -31.6 62.0 7.7 17.3 654 655 A L H >> S+ 0 0 0 -6,-0.3 4,-3.2 2,-0.2 3,-0.5 0.911 112.8 47.4 -69.2 -43.3 61.5 4.0 17.6 655 656 A T H 3> S+ 0 0 49 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.943 113.2 49.8 -63.5 -40.9 64.5 3.8 19.9 656 657 A S H 3< S+ 0 0 77 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.769 117.1 40.2 -64.4 -22.2 63.1 6.6 21.8 657 658 A F H << S+ 0 0 1 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.810 130.3 22.3-105.5 -32.3 59.7 5.0 22.0 658 659 A L H X S- 0 0 2 -4,-3.2 4,-0.6 1,-0.1 5,-0.2 0.321 109.2-116.9-109.6 6.7 60.5 1.3 22.7 659 660 A G H X - 0 0 21 -4,-1.5 4,-2.6 -5,-0.3 5,-0.3 0.287 35.9 -74.7 64.7 160.3 64.0 1.8 24.1 660 661 A A H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.938 124.3 52.8 -54.2 -58.0 67.2 0.5 22.6 661 662 A E H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 118.5 33.7 -53.1 -49.1 66.9 -3.1 23.5 662 663 A I H X S+ 0 0 3 -4,-0.6 4,-2.6 2,-0.2 5,-0.3 0.932 115.6 55.5 -74.2 -49.6 63.4 -3.7 22.1 663 664 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.957 113.3 43.7 -44.3 -56.0 63.7 -1.3 19.2 664 665 A E H X S+ 0 0 65 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.924 111.4 56.0 -53.7 -44.2 66.9 -3.2 18.1 665 666 A Y H < S+ 0 0 17 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.914 113.3 36.2 -60.9 -47.6 65.2 -6.4 18.7 666 667 A V H < S+ 0 0 5 -4,-2.6 -1,-0.2 2,-0.2 3,-0.2 0.693 112.7 58.6 -79.2 -25.4 62.1 -5.9 16.4 667 668 A K H < S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.860 117.3 35.4 -68.0 -37.1 64.1 -4.0 13.8 668 669 A K S < S+ 0 0 136 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.273 116.8 57.6 -98.4 4.0 66.3 -7.1 13.5 669 670 A N - 0 0 60 -3,-0.2 -1,-0.2 -5,-0.1 0, 0.0 -0.846 59.8-165.1-148.5 109.1 63.6 -9.7 14.0 670 671 A K - 0 0 186 -2,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.550 39.6 -89.4 -87.8 152.3 60.4 -10.3 12.0 671 672 A P 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -555,-0.0 -0.329 360.0 360.0 -61.2 144.0 57.6 -12.5 13.4 672 673 A S 0 0 132 -2,-0.1 -2,-0.1 0, 0.0 -558,-0.0 0.441 360.0 360.0 10.1 360.0 57.4 -16.4 12.8 673 ! 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 0.0 674 693 A E 0 0 17 0, 0.0 -358,-0.1 0, 0.0 -362,-0.1 0.000 360.0 360.0 360.0 360.0 35.0 1.1 19.9