==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLUTATHIONE BIOSYNTHESIS LIGASE 16-MAY-95 1GSH . COMPND 2 MOLECULE: GLUTATHIONE BIOSYNTHETIC LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.MATSUDA,H.KATO,H.YAMAGUCHI,T.NISHIOKA,Y.KATSUBE,J.ODA . 296 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 1 0 0 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 3 1 3 2 0 1 0 1 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 . 0 0 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 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 0 152 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 175.2 31.4 -6.1 49.7 2 2 A I - 0 0 28 78,-0.0 32,-3.2 79,-0.0 2,-0.6 -0.628 360.0-145.4 -80.9 137.6 29.3 -3.3 51.1 3 3 A K E -a 34 0A 71 -2,-0.3 78,-2.0 30,-0.2 79,-1.5 -0.980 20.0-166.7-107.8 114.1 29.9 0.1 49.4 4 4 A L E -ab 35 82A 1 30,-2.6 32,-2.7 -2,-0.6 2,-0.3 -0.880 4.6-166.5-103.5 129.3 29.4 2.7 52.2 5 5 A G E -ab 36 83A 0 77,-2.8 79,-2.2 -2,-0.4 2,-0.4 -0.822 2.4-162.9-111.6 153.5 29.1 6.4 51.3 6 6 A I E -ab 37 84A 1 30,-2.0 32,-2.2 -2,-0.3 2,-0.6 -0.991 8.6-158.3-140.6 132.7 29.4 9.2 53.9 7 7 A V E +ab 38 85A 0 77,-2.5 79,-2.5 -2,-0.4 2,-0.3 -0.958 37.9 142.2-107.1 121.9 28.3 12.8 53.5 8 8 A M - 0 0 6 30,-2.1 32,-0.3 -2,-0.6 79,-0.2 -0.954 55.7 -81.5-153.5 167.9 30.1 15.0 55.9 9 9 A D S S- 0 0 47 77,-0.5 4,-0.1 -2,-0.3 5,-0.1 -0.420 85.4 -55.6 -64.8 151.6 31.8 18.3 56.7 10 10 A P > - 0 0 50 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.014 43.7-149.4 -48.7 120.9 35.4 18.3 55.3 11 11 A I G > S+ 0 0 3 1,-0.3 3,-1.2 2,-0.2 55,-0.1 0.771 92.6 71.0 -60.2 -25.5 37.5 15.4 56.5 12 12 A A G 3 S+ 0 0 52 1,-0.2 -1,-0.3 3,-0.0 54,-0.0 0.563 100.2 47.9 -69.3 -6.6 40.6 17.6 56.2 13 13 A N G < S+ 0 0 132 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.390 86.1 105.2-117.3 5.0 39.5 19.6 59.2 14 14 A I < - 0 0 33 -3,-1.2 2,-0.6 -4,-0.2 3,-0.0 -0.254 68.9-123.4 -81.0 170.7 38.4 17.0 61.8 15 15 A N >> - 0 0 64 1,-0.1 4,-2.1 -2,-0.0 3,-1.7 -0.931 19.5-160.3-111.0 104.7 40.3 15.9 64.9 16 16 A I T 34 S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.3 47,-0.0 0.625 83.1 71.2 -68.9 -9.8 40.7 12.2 64.5 17 17 A K T 34 S+ 0 0 103 1,-0.1 -1,-0.3 46,-0.0 44,-0.0 0.814 120.0 11.2 -73.1 -27.0 41.3 11.7 68.2 18 18 A K T <4 S+ 0 0 105 -3,-1.7 253,-0.4 255,-0.1 2,-0.4 0.513 92.2 119.9-128.0 -4.1 37.7 12.5 69.0 19 19 A D X - 0 0 39 -4,-2.1 4,-1.5 1,-0.2 5,-0.1 -0.445 42.2-163.1 -71.9 122.3 35.7 12.4 65.8 20 20 A S H > S+ 0 0 1 -2,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.813 88.3 58.3 -73.5 -31.0 33.0 9.8 65.7 21 21 A S H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 108.1 48.0 -61.3 -43.5 32.5 9.8 61.9 22 22 A F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 107.7 54.7 -65.1 -37.7 36.2 8.9 61.6 23 23 A A H X S+ 0 0 3 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.877 109.2 49.4 -63.2 -36.4 35.7 6.2 64.2 24 24 A M H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.890 108.8 51.3 -67.8 -43.4 32.9 4.8 62.0 25 25 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.881 107.9 52.5 -62.0 -39.1 35.0 4.9 58.8 26 26 A L H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.892 111.4 46.6 -64.1 -40.4 37.8 3.0 60.5 27 27 A E H X S+ 0 0 18 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.912 112.0 50.1 -66.4 -42.0 35.4 0.2 61.6 28 28 A A H <>S+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 3,-0.2 0.901 112.6 47.1 -65.1 -38.1 33.8 0.0 58.2 29 29 A Q H ><5S+ 0 0 60 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.897 106.5 57.5 -70.6 -37.6 37.3 -0.2 56.6 30 30 A R H 3<5S+ 0 0 174 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.6 51.1 -64.2 -25.5 38.3 -2.9 59.1 31 31 A R T 3<5S- 0 0 68 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.409 122.4-109.3 -88.8 0.0 35.2 -4.9 57.9 32 32 A G T < 5 + 0 0 46 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.686 61.3 158.0 83.4 20.0 36.4 -4.5 54.3 33 33 A Y < - 0 0 15 -5,-2.5 2,-0.6 -6,-0.1 -30,-0.2 -0.390 46.5-119.2 -70.2 150.1 33.7 -2.1 53.1 34 34 A E E -a 3 0A 62 -32,-3.2 -30,-2.6 -2,-0.1 2,-0.4 -0.858 34.9-147.1 -86.3 123.1 34.4 0.1 50.0 35 35 A L E -a 4 0A 5 -2,-0.6 22,-2.1 22,-0.5 2,-0.5 -0.782 14.5-166.8 -98.4 135.2 34.2 3.7 51.3 36 36 A H E -aC 5 56A 4 -32,-2.7 -30,-2.0 -2,-0.4 2,-0.4 -0.972 11.0-151.2-124.5 114.8 33.0 6.7 49.2 37 37 A Y E +aC 6 55A 1 18,-2.9 18,-1.0 -2,-0.5 2,-0.3 -0.691 22.5 161.6 -87.5 132.2 33.6 10.2 50.5 38 38 A M E -a 7 0A 0 -32,-2.2 -30,-2.1 -2,-0.4 2,-0.2 -0.996 24.2-152.4-150.0 153.4 31.3 13.1 49.7 39 39 A E > - 0 0 59 -2,-0.3 3,-1.9 -32,-0.2 4,-0.4 -0.715 44.3 -94.2-106.3 171.6 30.5 16.6 50.9 40 40 A M G > S+ 0 0 50 1,-0.3 3,-1.5 -32,-0.3 -31,-0.1 0.880 122.9 58.3 -54.7 -43.4 27.1 18.5 50.4 41 41 A G G 3 S+ 0 0 78 1,-0.3 -1,-0.3 11,-0.0 -3,-0.0 0.577 96.5 64.8 -65.5 -11.2 28.2 20.2 47.3 42 42 A D G < S+ 0 0 28 -3,-1.9 11,-1.6 10,-0.1 2,-0.3 0.621 85.5 86.0 -86.3 -16.7 28.9 16.8 45.6 43 43 A L E < +D 52 0A 14 -3,-1.5 2,-0.3 -4,-0.4 9,-0.2 -0.614 53.6 157.4 -87.0 140.2 25.3 15.8 45.6 44 44 A Y E -D 51 0A 84 7,-2.6 7,-2.3 -2,-0.3 2,-0.4 -0.965 32.7-129.8-153.4 177.5 23.0 16.7 42.8 45 45 A L E -D 50 0A 80 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.998 16.6-175.7-136.2 126.2 19.8 15.8 41.1 46 46 A I E > S-D 49 0A 80 3,-2.3 3,-2.3 -2,-0.4 -2,-0.0 -0.982 76.5 -24.8-131.3 117.4 19.3 15.3 37.4 47 47 A N T 3 S- 0 0 161 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.881 126.7 -49.6 45.8 46.7 15.8 14.5 36.1 48 48 A G T 3 S+ 0 0 28 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.378 112.3 119.1 84.7 -6.2 14.8 13.1 39.4 49 49 A E E < -D 46 0A 84 -3,-2.3 -3,-2.3 56,-0.0 2,-0.4 -0.792 60.1-134.1 -96.6 136.0 17.9 10.8 39.8 50 50 A A E +D 45 0A 5 -2,-0.4 27,-1.7 -5,-0.2 28,-0.5 -0.720 35.6 164.1 -90.0 133.7 20.2 11.3 42.7 51 51 A R E -DE 44 76A 57 -7,-2.3 -7,-2.6 -2,-0.4 2,-0.3 -0.948 15.1-168.0-143.8 162.1 23.8 11.4 41.9 52 52 A A E -DE 43 75A 0 23,-2.5 23,-2.6 -2,-0.3 2,-0.7 -0.998 29.5-121.5-151.4 156.4 27.1 12.4 43.3 53 53 A H E - E 0 74A 46 -11,-1.6 21,-0.3 -2,-0.3 2,-0.2 -0.891 45.6-174.1 -87.2 112.4 30.7 12.9 42.6 54 54 A T E - E 0 73A 0 19,-2.8 19,-2.5 -2,-0.7 2,-0.4 -0.679 21.5-149.8-108.1 166.7 32.5 10.5 45.1 55 55 A R E -CE 37 72A 51 -18,-1.0 -18,-2.9 17,-0.2 2,-0.4 -0.995 26.6-121.8-126.7 128.5 36.1 9.9 46.0 56 56 A T E -CE 36 71A 22 15,-1.3 14,-2.3 -2,-0.4 15,-0.6 -0.637 40.6-147.9 -73.3 132.8 37.1 6.4 47.0 57 57 A L E - E 0 69A 7 -22,-2.1 -22,-0.5 -2,-0.4 2,-0.4 -0.805 25.0-171.4-115.1 147.2 38.5 6.9 50.5 58 58 A N E - E 0 68A 62 10,-2.4 10,-1.9 -2,-0.4 2,-0.3 -0.995 14.8-170.2-130.7 133.9 41.2 5.3 52.6 59 59 A V E + E 0 67A 0 -2,-0.4 2,-0.3 8,-0.2 8,-0.3 -0.899 10.0 169.1-128.2 153.8 41.6 6.2 56.3 60 60 A K - 0 0 68 6,-2.0 2,-2.2 -2,-0.3 5,-0.1 -0.957 45.6-103.9-160.3 146.7 44.2 5.5 58.9 61 61 A Q S S+ 0 0 80 -2,-0.3 2,-0.4 2,-0.1 5,-0.1 -0.492 71.2 131.7 -75.8 76.7 45.0 6.8 62.4 62 62 A N > - 0 0 66 -2,-2.2 3,-0.6 1,-0.1 -2,-0.1 -0.959 48.8-154.7-133.8 112.8 47.9 8.9 61.3 63 63 A Y T 3 S+ 0 0 112 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.613 98.0 47.9 -65.0 -15.9 47.9 12.5 62.7 64 64 A E T 3 S+ 0 0 173 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.669 133.5 7.3 -96.1 -25.1 50.0 13.7 59.8 65 65 A E < + 0 0 106 -3,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 -0.581 63.9 162.7-160.1 92.0 47.8 11.9 57.1 66 66 A W + 0 0 46 -3,-0.2 -6,-2.0 -2,-0.1 2,-0.3 0.509 66.6 25.8 -95.5 -3.2 44.6 10.3 58.1 67 67 A F E -E 59 0A 43 -8,-0.3 2,-0.3 -5,-0.1 -8,-0.2 -0.985 56.0-176.8-151.5 156.9 42.8 9.9 54.8 68 68 A S E -E 58 0A 37 -10,-1.9 -10,-2.4 -2,-0.3 2,-0.5 -0.975 24.8-126.6-154.2 151.4 43.7 9.7 51.1 69 69 A F E +E 57 0A 73 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.877 21.4 178.6-101.8 132.1 41.7 9.5 47.9 70 70 A V E + 0 0 95 -14,-2.3 2,-0.3 -2,-0.5 -13,-0.1 0.140 67.1 1.8-118.2 13.6 42.5 6.6 45.7 71 71 A G E -E 56 0A 28 -15,-0.6 -15,-1.3 2,-0.0 2,-0.3 -0.929 57.1-145.2 171.2 167.6 39.9 7.3 43.1 72 72 A E E +E 55 0A 136 -17,-0.3 2,-0.3 -2,-0.3 -17,-0.2 -0.990 24.7 157.4-154.2 136.8 37.2 9.6 41.9 73 73 A Q E -E 54 0A 63 -19,-2.5 -19,-2.8 -2,-0.3 2,-0.5 -0.988 38.0-124.7-161.2 165.3 33.9 9.1 40.1 74 74 A D E +E 53 0A 79 -2,-0.3 -21,-0.2 -21,-0.3 -2,-0.0 -0.988 45.5 157.3-112.6 121.9 30.4 10.2 39.3 75 75 A L E -E 52 0A 17 -23,-2.6 -23,-2.5 -2,-0.5 2,-0.3 -0.964 47.8 -98.0-140.6 160.1 27.8 7.7 40.2 76 76 A P E > -E 51 0A 22 0, 0.0 3,-1.7 0, 0.0 -25,-0.3 -0.595 34.8-130.0 -68.8 138.5 24.1 7.3 41.0 77 77 A L G > S+ 0 0 0 -27,-1.7 3,-2.1 1,-0.3 -26,-0.1 0.760 102.8 75.7 -65.2 -21.5 23.7 7.2 44.7 78 78 A A G 3 S+ 0 0 37 -28,-0.5 -1,-0.3 1,-0.3 -27,-0.1 0.616 82.3 69.2 -64.2 -15.7 21.6 4.1 44.2 79 79 A D G < S+ 0 0 81 -3,-1.7 2,-0.3 31,-0.0 -1,-0.3 0.608 85.9 81.7 -73.7 -15.2 24.8 2.2 43.5 80 80 A L S < S- 0 0 2 -3,-2.1 -76,-0.2 -4,-0.2 3,-0.1 -0.721 71.1-147.9 -96.2 145.9 25.8 2.5 47.2 81 81 A D S S+ 0 0 59 -78,-2.0 30,-2.3 -2,-0.3 2,-0.3 0.831 80.0 7.7 -76.0 -37.0 24.4 0.1 49.7 82 82 A V E -bf 4 111A 0 -79,-1.5 -77,-2.8 28,-0.2 2,-0.4 -0.992 58.9-161.1-152.1 133.9 24.4 2.6 52.6 83 83 A I E -bf 5 112A 0 28,-2.5 30,-2.5 -2,-0.3 2,-0.6 -0.975 11.7-150.1-115.9 132.4 25.0 6.3 53.0 84 84 A L E -bf 6 113A 3 -79,-2.2 -77,-2.5 -2,-0.4 2,-0.9 -0.917 10.1-149.9 -97.0 117.9 25.8 7.8 56.4 85 85 A M E +b 7 0A 3 28,-2.7 -77,-0.1 -2,-0.6 -79,-0.0 -0.804 31.0 159.9 -88.7 108.9 24.4 11.4 56.6 86 86 A R + 0 0 15 -79,-2.5 -77,-0.5 -2,-0.9 2,-0.2 0.056 13.9 142.8-123.5 26.9 26.9 12.9 59.0 87 87 A K - 0 0 37 -79,-0.2 -79,-0.1 180,-0.1 -2,-0.0 -0.409 48.0-123.3 -67.7 133.1 26.5 16.6 58.2 88 88 A D - 0 0 79 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.437 41.4 -64.9 -72.5 154.6 26.7 18.8 61.3 89 89 A P S S+ 0 0 60 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.272 76.8 102.9 -55.1 154.8 24.1 21.3 62.3 90 90 A P - 0 0 69 0, 0.0 2,-1.2 0, 0.0 5,-0.2 0.116 57.2-146.1 -71.8 150.0 22.6 23.8 61.6 91 91 A F + 0 0 45 -2,-0.1 2,-0.2 4,-0.1 -3,-0.0 -0.806 45.5 150.0 -83.6 100.3 19.4 22.2 60.5 92 92 A D > - 0 0 63 -2,-1.2 4,-2.2 71,-0.0 5,-0.1 -0.633 64.6 -83.9-124.6-174.8 18.7 24.7 57.7 93 93 A T H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.849 126.3 56.0 -67.6 -31.1 16.9 24.6 54.4 94 94 A E H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 107.1 49.9 -63.5 -39.8 20.1 23.3 52.6 95 95 A F H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.959 111.4 49.7 -62.7 -48.8 20.1 20.4 55.0 96 96 A I H X S+ 0 0 37 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.871 109.8 50.2 -58.4 -39.2 16.4 19.9 54.2 97 97 A Y H >X S+ 0 0 116 -4,-2.5 4,-1.3 2,-0.2 3,-0.9 0.927 107.8 53.0 -66.0 -39.8 17.1 20.0 50.4 98 98 A A H 3X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.819 101.5 62.5 -62.3 -32.6 20.0 17.4 50.7 99 99 A T H 3X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.868 101.2 50.1 -57.8 -38.4 17.5 15.2 52.5 100 100 A Y H X S+ 0 0 24 -4,-1.3 4,-1.1 2,-0.2 3,-0.5 0.949 111.1 46.1 -69.1 -47.9 18.3 14.1 47.3 102 102 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 3,-0.5 0.909 108.7 57.3 -62.5 -36.8 19.2 11.2 49.7 103 103 A E H 3X S+ 0 0 41 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.811 99.8 57.6 -65.3 -28.7 15.5 10.1 49.7 104 104 A R H <>S+ 0 0 2 -4,-1.1 5,-1.7 -3,-0.5 3,-0.6 0.856 109.0 58.0 -77.7 -33.0 18.4 7.2 46.3 106 106 A E H ><5S+ 0 0 38 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.872 100.1 56.0 -66.2 -36.3 16.5 5.6 49.2 107 107 A E H 3<5S+ 0 0 113 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.5 57.2 -65.0 -23.9 13.6 4.9 46.9 108 108 A K T <<5S- 0 0 136 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.175 133.4 -85.1 -90.4 14.1 16.0 3.0 44.7 109 109 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.288 82.0 135.5 105.6 -12.9 17.1 0.6 47.5 110 110 A T < - 0 0 4 -5,-1.7 2,-0.4 -8,-0.1 -1,-0.3 -0.520 50.8-131.9 -73.1 135.6 19.9 2.6 49.4 111 111 A L E -f 82 0A 34 -30,-2.3 -28,-2.5 -2,-0.2 2,-0.5 -0.730 20.9-159.4 -82.0 131.2 19.9 2.5 53.2 112 112 A I E -f 83 0A 3 -2,-0.4 2,-0.6 -30,-0.2 -28,-0.2 -0.955 15.3-128.6-117.8 126.6 20.3 6.1 54.7 113 113 A V E S+f 84 0A 9 -30,-2.5 -28,-2.7 -2,-0.5 2,-0.1 -0.942 99.3 23.1-113.9 107.3 21.4 6.4 58.2 114 114 A N S S- 0 0 7 -2,-0.6 -1,-0.2 134,-0.4 135,-0.2 0.651 106.6-108.6 -94.6 168.9 19.4 8.3 59.5 115 115 A K > - 0 0 68 133,-1.7 4,-1.9 132,-0.2 -2,-0.1 -0.261 24.2-134.1 -61.4 130.4 16.2 8.1 57.4 116 116 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.868 102.1 46.7 -53.8 -48.5 15.6 11.3 55.4 117 117 A Q H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.893 111.5 52.4 -66.3 -39.9 12.0 11.9 56.1 118 118 A S H > S+ 0 0 2 129,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.845 103.1 58.7 -61.9 -34.3 12.6 11.2 59.9 119 119 A L H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.830 111.7 41.9 -61.2 -31.3 15.4 13.9 59.7 120 120 A R H < S+ 0 0 61 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.816 118.9 44.6 -81.4 -36.2 12.7 16.4 58.6 121 121 A D H < S+ 0 0 74 -4,-2.1 2,-0.8 1,-0.2 -2,-0.2 0.779 107.9 60.1 -74.6 -34.9 10.1 15.1 61.0 122 122 A C < - 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 2,-0.2 -0.761 67.7-169.9-107.7 84.8 12.3 14.9 64.1 123 123 A N > - 0 0 41 -2,-0.8 4,-2.5 -3,-0.2 5,-0.2 -0.487 28.2-126.5 -69.6 142.5 13.8 18.2 65.0 124 124 A E T 4 S+ 0 0 24 1,-0.2 140,-2.0 2,-0.2 -1,-0.1 0.785 106.6 27.7 -66.2 -28.4 16.5 17.8 67.7 125 125 A K T >4 S+ 0 0 38 138,-0.2 3,-0.6 37,-0.1 -1,-0.2 0.830 126.3 43.9 -98.8 -39.4 14.9 20.4 70.0 126 126 A L G >4 S+ 0 0 61 1,-0.2 3,-2.0 2,-0.1 -2,-0.2 0.677 93.6 75.8 -85.1 -15.8 11.2 20.1 69.0 127 127 A F G >< S+ 0 0 7 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.778 80.6 74.3 -66.4 -20.2 10.9 16.3 68.8 128 128 A T G X S+ 0 0 3 -3,-0.6 3,-1.6 1,-0.3 -1,-0.3 0.674 76.8 78.4 -63.2 -15.0 10.9 16.3 72.6 129 129 A A G X S+ 0 0 69 -3,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.725 87.6 58.9 -64.4 -21.6 7.2 17.7 72.3 130 130 A W G < S+ 0 0 172 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.413 110.6 40.2 -84.8 -0.6 6.3 14.0 71.6 131 131 A F G X> + 0 0 27 -3,-1.6 3,-2.3 -4,-0.1 4,-0.6 -0.316 65.1 151.1-142.4 49.7 7.7 12.9 75.0 132 132 A S G X4 + 0 0 80 -3,-0.5 3,-0.5 1,-0.3 -2,-0.1 0.762 67.6 69.6 -60.7 -24.2 6.5 15.6 77.3 133 133 A D G 34 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.717 106.1 38.8 -57.5 -29.7 6.4 13.1 80.1 134 134 A L G <4 S+ 0 0 1 -3,-2.3 127,-2.9 -6,-0.2 -1,-0.2 0.518 106.0 78.2-101.9 -10.6 10.2 12.9 80.0 135 135 A T S << S- 0 0 14 -4,-0.6 127,-0.1 -3,-0.5 3,-0.1 -0.514 78.5-105.3-102.8 164.2 11.1 16.5 79.5 136 136 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.181 64.0 -63.7 -67.6 175.8 11.3 19.7 81.6 137 137 A E - 0 0 93 1,-0.0 59,-1.1 2,-0.0 2,-0.4 -0.531 67.4-169.1 -61.5 122.7 8.7 22.4 81.4 138 138 A T E -G 195 0B 50 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.992 17.5-177.8-128.4 129.0 9.1 23.6 77.8 139 139 A L E -G 194 0B 35 55,-2.7 55,-2.7 -2,-0.4 2,-0.5 -0.988 5.7-167.9-119.3 131.9 7.6 26.6 76.1 140 140 A V E +G 193 0B 60 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.966 33.0 132.7-117.1 117.9 8.2 27.4 72.4 141 141 A T E -G 192 0B 6 51,-2.0 51,-2.1 -2,-0.5 47,-0.1 -0.981 57.5-142.2-157.2 165.9 7.1 31.0 71.4 142 142 A R S S+ 0 0 98 -2,-0.3 2,-0.6 49,-0.2 48,-0.2 0.401 76.4 102.9-103.9 -6.8 7.8 34.2 69.6 143 143 A N >> - 0 0 91 1,-0.2 4,-1.6 49,-0.1 3,-0.6 -0.734 55.3-162.1 -98.7 120.5 6.2 36.3 72.4 144 144 A K H 3> S+ 0 0 78 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.828 93.4 59.8 -57.9 -37.0 8.1 38.1 75.0 145 145 A A H 3> S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.858 105.9 46.9 -66.1 -35.5 5.0 38.3 77.2 146 146 A Q H <> S+ 0 0 88 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.849 112.1 50.6 -73.5 -33.9 4.8 34.5 77.4 147 147 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.832 109.3 51.6 -69.9 -32.0 8.5 34.2 78.1 148 148 A K H X S+ 0 0 87 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.934 110.9 47.9 -68.5 -44.9 8.1 36.8 80.9 149 149 A A H X S+ 0 0 48 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.861 109.6 51.1 -68.8 -37.1 5.2 34.8 82.4 150 150 A F H X S+ 0 0 23 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.855 110.8 50.5 -63.8 -38.0 7.1 31.4 82.2 151 151 A W H X S+ 0 0 46 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.885 109.1 51.2 -68.7 -40.7 10.0 33.1 84.0 152 152 A E H < S+ 0 0 124 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.903 113.4 45.3 -59.0 -40.0 7.6 34.5 86.7 153 153 A K H < S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 125.7 29.0 -75.2 -34.0 6.2 31.0 87.2 154 154 A H H < S- 0 0 45 -4,-1.9 2,-1.5 -5,-0.1 -2,-0.2 0.566 82.1-152.2-107.0 -9.3 9.6 29.2 87.3 155 155 A S S < S+ 0 0 49 -4,-2.4 2,-0.3 -5,-0.1 -4,-0.1 -0.015 80.2 46.7 64.1 -29.9 12.0 31.8 88.7 156 156 A D S S+ 0 0 34 -2,-1.5 41,-2.7 15,-0.2 2,-0.3 -0.914 73.5 162.8-149.9 109.3 15.1 30.3 86.9 157 157 A I E -HI 170 196B 0 13,-2.5 13,-3.0 -2,-0.3 2,-0.4 -0.827 34.3-126.2-132.2 163.8 14.9 29.3 83.2 158 158 A I E -HI 169 195B 22 37,-2.7 37,-1.7 -2,-0.3 2,-0.5 -0.916 19.2-162.9-106.6 133.0 17.0 28.5 80.2 159 159 A L E +HI 168 194B 0 9,-2.5 9,-2.6 -2,-0.4 35,-0.2 -0.985 17.5 169.2-119.1 124.8 16.4 30.3 76.9 160 160 A K E - I 0 193B 11 33,-2.5 33,-2.4 -2,-0.5 7,-0.1 -0.986 33.3-120.0-135.2 149.2 17.9 28.8 73.7 161 161 A P E - I 0 192B 29 0, 0.0 31,-0.1 0, 0.0 5,-0.1 -0.439 20.1-132.7 -72.2 156.9 17.5 29.4 70.0 162 162 A L 0 0 33 29,-0.5 -37,-0.1 -2,-0.1 -38,-0.1 0.811 360.0 360.0 -82.0 -27.0 16.1 26.5 68.0 163 163 A D 0 0 149 -73,-0.1 29,-0.0 -74,-0.0 -71,-0.0 0.462 360.0 360.0-155.6 360.0 18.9 27.0 65.4 164 ! 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 0.0 165 168 A A 0 0 139 0, 0.0 2,-0.8 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 174.7 25.8 26.7 72.5 166 169 A S + 0 0 67 -5,-0.1 2,-0.5 2,-0.0 -7,-0.0 -0.416 360.0 154.0-101.7 63.2 23.8 29.9 73.0 167 170 A I - 0 0 92 -2,-0.8 2,-0.4 -7,-0.1 -7,-0.2 -0.710 26.5-160.9 -91.9 124.7 22.0 29.2 76.2 168 171 A F E -H 159 0B 74 -9,-2.6 -9,-2.5 -2,-0.5 2,-0.6 -0.903 5.8-151.6-103.1 134.6 21.0 32.0 78.4 169 172 A R E -H 158 0B 91 -2,-0.4 2,-0.8 -11,-0.2 -11,-0.2 -0.958 8.4-166.1-105.8 121.7 20.2 31.3 82.1 170 173 A V E +H 157 0B 0 -13,-3.0 -13,-2.5 -2,-0.6 2,-0.1 -0.909 15.2 177.9-114.1 99.8 17.7 33.8 83.4 171 174 A K > - 0 0 102 -2,-0.8 3,-1.8 -15,-0.3 -15,-0.2 -0.400 45.1 -64.4 -90.2 175.9 17.7 33.5 87.2 172 175 A E T 3 S+ 0 0 158 1,-0.3 -1,-0.2 -2,-0.1 -16,-0.1 -0.398 125.3 20.7 -64.6 130.1 15.7 35.5 89.7 173 176 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.564 81.7 149.7 88.4 7.2 16.8 39.1 89.5 174 177 A D < - 0 0 42 -3,-1.8 3,-0.4 1,-0.1 -1,-0.3 -0.561 36.3-154.6 -72.1 133.7 18.4 39.0 86.0 175 178 A P S S+ 0 0 115 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.481 80.1 64.8 -85.7 -2.4 18.0 42.5 84.4 176 179 A N > + 0 0 72 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.243 53.7 112.6-111.0 14.3 18.1 41.2 80.8 177 180 A L H > S+ 0 0 11 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.897 86.8 47.5 -57.7 -40.2 15.0 39.0 80.1 178 181 A G H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.929 113.2 44.9 -64.8 -53.5 13.6 41.6 77.7 179 182 A V H > S+ 0 0 86 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 116.3 48.6 -55.9 -45.5 16.9 42.1 75.7 180 183 A I H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.940 112.2 46.8 -65.4 -43.4 17.4 38.3 75.6 181 184 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 7,-0.3 0.960 114.0 49.7 -62.8 -50.9 13.8 37.6 74.4 182 185 A E H <>S+ 0 0 74 -4,-2.8 5,-2.3 1,-0.2 4,-0.3 0.825 113.1 46.8 -48.6 -45.1 14.3 40.4 71.8 183 186 A T H <5S+ 0 0 84 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.875 116.9 40.3 -70.6 -44.4 17.6 38.9 70.7 184 187 A L H <5S+ 0 0 22 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.802 121.9 41.2 -77.9 -30.7 16.5 35.2 70.3 185 188 A T T X>S- 0 0 2 -4,-2.5 5,-2.3 -5,-0.3 4,-2.0 0.393 106.0-126.7 -92.5 -0.7 13.0 36.0 68.8 186 189 A E T >45S- 0 0 110 -4,-0.3 3,-0.6 -5,-0.2 -3,-0.2 0.958 79.4 -41.2 45.1 58.3 14.5 38.7 66.6 187 190 A H T 34 - 0 0 33 -2,-0.1 3,-1.9 1,-0.1 4,-0.1 -0.925 6.8-161.8-110.2 108.8 17.6 21.8 86.0 199 202 A P G > S+ 0 0 84 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.738 83.7 79.9 -62.3 -25.0 20.2 22.0 88.9 200 203 A A G > + 0 0 30 1,-0.3 3,-0.9 2,-0.2 58,-0.4 0.536 68.8 87.2 -57.5 -7.8 21.1 18.4 88.3 201 204 A I G X S+ 0 0 45 -3,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.855 76.7 65.5 -59.1 -33.0 23.2 19.8 85.4 202 205 A K G < S+ 0 0 153 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 100.4 51.3 -60.4 -31.2 26.0 20.2 88.1 203 206 A D G < S- 0 0 121 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.521 129.3 -66.7 -82.4 -7.7 25.9 16.3 88.3 204 207 A G < - 0 0 7 -3,-1.7 2,-0.9 -4,-0.4 54,-0.6 -0.230 23.6-118.3 133.6 140.5 26.3 16.0 84.4 205 208 A D E -J 257 0C 35 17,-1.6 17,-2.2 52,-0.1 52,-0.2 -0.871 49.2-149.9-102.3 94.5 24.8 16.5 81.0 206 209 A K E -JK 256 221C 16 50,-2.3 50,-2.6 -2,-0.9 2,-0.6 -0.481 13.0-153.1 -76.7 142.6 24.8 12.9 80.0 207 210 A R E -JK 255 220C 61 13,-2.3 13,-1.8 48,-0.2 2,-0.5 -0.942 15.2-175.1-113.6 104.5 25.1 11.7 76.4 208 211 A V E -J 254 0C 0 46,-2.1 46,-2.8 -2,-0.6 2,-0.4 -0.871 12.3-148.9-100.0 130.7 23.4 8.3 75.9 209 212 A L E -J 253 0C 2 -2,-0.5 7,-2.9 9,-0.4 2,-0.5 -0.790 6.9-162.1 -98.5 142.3 23.8 6.6 72.5 210 213 A V E -JL 252 215C 1 42,-2.3 42,-2.3 -2,-0.4 2,-0.6 -0.993 2.1-161.0-128.1 124.3 21.0 4.4 71.0 211 214 A V E > S-JL 251 214C 6 3,-2.7 3,-2.0 -2,-0.5 40,-0.2 -0.946 76.9 -27.5-113.7 110.3 21.8 2.0 68.2 212 215 A D T 3 S- 0 0 27 38,-2.8 -1,-0.2 -2,-0.6 38,-0.1 0.862 127.8 -46.3 50.2 43.3 18.8 0.9 66.3 213 216 A G T 3 S+ 0 0 10 36,-0.3 -1,-0.3 1,-0.2 28,-0.1 0.197 117.9 109.1 94.6 -18.4 16.6 1.4 69.4 214 217 A E E < -L 211 0C 88 -3,-2.0 -3,-2.7 27,-0.1 -1,-0.2 -0.799 68.7-128.5 -95.6 119.4 19.0 -0.4 71.8 215 218 A P E -L 210 0C 2 0, 0.0 -5,-0.3 0, 0.0 14,-0.0 -0.455 19.1-121.4 -66.5 133.5 20.8 1.9 74.4 216 219 A V - 0 0 0 -7,-2.9 -7,-0.3 -2,-0.1 65,-0.0 -0.654 28.7-127.4 -65.6 130.8 24.6 1.6 74.5 217 220 A P S S+ 0 0 49 0, 0.0 12,-2.3 0, 0.0 2,-0.4 0.521 88.0 54.6 -69.4 -3.3 25.1 0.6 78.3 218 221 A Y E - M 0 228C 59 10,-0.3 -9,-0.4 -9,-0.1 2,-0.2 -0.983 67.2-174.0-128.9 142.3 27.6 3.3 79.1 219 222 A C E - M 0 227C 0 8,-2.9 8,-2.3 -2,-0.4 2,-0.5 -0.624 25.9-113.8-124.3 179.9 27.2 7.0 78.5 220 223 A L E -KM 207 226C 2 -13,-1.8 -13,-2.3 6,-0.3 2,-0.6 -0.967 19.1-154.5-121.7 115.6 29.3 10.1 78.8 221 224 A A E KM 206 225C 2 4,-2.4 4,-3.0 -2,-0.5 -15,-0.3 -0.794 360.0 360.0 -87.5 120.4 28.4 12.6 81.5 222 225 A R 0 0 117 -17,-2.2 -17,-1.6 -2,-0.6 -2,-0.0 -0.728 360.0 360.0 -82.5 360.0 29.7 16.0 80.3 223 ! 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 0.0 224 242 A G 0 0 85 0, 0.0 -2,-0.2 0, 0.0 -18,-0.0 0.000 360.0 360.0 360.0 91.2 33.6 14.5 80.3 225 243 A E E -M 221 0C 112 -4,-3.0 -4,-2.4 2,-0.0 2,-0.1 -0.962 360.0-134.5-129.2 111.4 33.3 11.2 82.4 226 244 A P E +M 220 0C 24 0, 0.0 -6,-0.3 0, 0.0 49,-0.0 -0.426 34.9 170.6 -62.3 134.1 32.1 7.8 81.0 227 245 A R E -M 219 0C 82 -8,-2.3 -8,-2.9 -2,-0.1 2,-0.1 -0.952 38.0-101.5-138.0 156.7 29.5 6.0 83.3 228 246 A P E -M 218 0C 77 0, 0.0 -10,-0.3 0, 0.0 2,-0.1 -0.472 55.8 -92.3 -64.3 152.7 27.2 3.0 83.2 229 247 A L - 0 0 13 -12,-2.3 2,-0.1 -2,-0.1 -21,-0.0 -0.428 43.4-133.5 -64.9 138.4 23.6 4.0 82.5 230 248 A T > - 0 0 64 -2,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.413 30.3 -93.9 -83.0 177.2 21.7 4.5 85.7 231 249 A E H > S+ 0 0 176 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.887 127.2 46.0 -57.4 -44.0 18.3 3.2 86.3 232 250 A S H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.750 108.7 56.3 -76.7 -22.7 16.5 6.4 85.1 233 251 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.941 108.2 47.6 -68.3 -46.0 18.8 6.6 82.1 234 252 A W H X S+ 0 0 88 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.822 110.9 53.6 -58.8 -35.7 17.7 3.0 81.1 235 253 A K H X S+ 0 0 113 -4,-1.4 4,-1.0 -5,-0.2 -2,-0.2 0.946 110.7 43.5 -69.0 -48.9 14.1 4.1 81.7 236 254 A I H >X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 3,-0.9 0.965 115.6 48.5 -59.4 -53.0 14.2 7.2 79.4 237 255 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.3 -2,-0.2 0.851 109.0 52.9 -60.7 -37.0 16.1 5.3 76.6 238 256 A R H 3< S+ 0 0 115 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.729 108.9 50.7 -69.1 -25.0 13.7 2.3 76.7 239 257 A Q H << S+ 0 0 82 -4,-1.0 4,-0.3 -3,-0.9 -1,-0.2 0.779 119.1 34.3 -79.8 -32.7 10.7 4.6 76.3 240 258 A I H >X S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.1 4,-1.5 0.892 100.8 81.5 -86.1 -42.8 12.1 6.5 73.2 241 259 A G H 3X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.3 3,-0.2 0.716 88.2 49.7 -30.5 -59.4 14.0 3.5 71.7 242 260 A P H 3> S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.839 111.0 50.7 -57.1 -38.0 11.0 1.8 69.8 243 261 A T H <> S+ 0 0 38 -3,-1.6 4,-1.7 -4,-0.3 -2,-0.2 0.872 109.7 50.9 -69.0 -35.4 10.0 5.1 68.2 244 262 A L H <>S+ 0 0 0 -4,-1.5 5,-2.7 -3,-0.2 4,-0.3 0.936 110.7 49.0 -70.4 -40.7 13.6 5.6 67.0 245 263 A K H ><5S+ 0 0 80 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.919 112.5 45.7 -62.1 -46.0 13.8 2.2 65.5 246 264 A E H 3<5S+ 0 0 153 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.3 54.0 -74.3 -23.8 10.5 2.4 63.6 247 265 A K T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 -5,-0.2 -129,-0.3 0.437 115.9-115.6 -83.6 3.6 11.3 5.9 62.4 248 266 A G T < 5 + 0 0 6 -3,-1.3 -133,-1.7 -4,-0.3 2,-1.5 0.766 66.0 147.9 70.1 20.8 14.6 4.5 61.0 249 267 A L < + 0 0 1 -5,-2.7 -36,-0.3 -6,-0.2 -1,-0.2 -0.719 18.2 170.2 -88.6 87.0 16.6 6.7 63.3 250 268 A I + 0 0 1 -2,-1.5 -38,-2.8 1,-0.2 2,-0.5 0.807 62.5 32.2 -76.8 -34.1 19.4 4.1 63.6 251 269 A F E S+J 211 0C 5 -40,-0.2 2,-0.3 -3,-0.2 -1,-0.2 -0.930 77.9 164.5-130.6 112.1 22.1 6.1 65.4 252 270 A V E -J 210 0C 0 -42,-2.3 -42,-2.3 -2,-0.5 2,-0.4 -0.917 28.1-149.1-125.9 147.1 20.8 8.6 67.9 253 271 A G E -JN 209 265C 4 12,-2.3 12,-2.7 -2,-0.3 2,-0.4 -0.946 12.8-160.6-110.2 136.0 22.2 10.6 70.8 254 272 A L E -JN 208 264C 0 -46,-2.8 -46,-2.1 -2,-0.4 2,-0.5 -0.950 9.3-145.5-111.5 140.4 19.9 11.5 73.7 255 273 A D E -JN 207 263C 17 8,-2.5 7,-2.5 -2,-0.4 8,-1.0 -0.952 22.7-176.2-103.0 119.9 20.9 14.4 76.1 256 274 A I E -JN 206 261C 0 -50,-2.6 -50,-2.3 -2,-0.5 2,-0.6 -0.979 16.1-171.5-125.8 128.5 19.8 13.7 79.7 257 275 A I E > S-JN 205 260C 21 3,-2.5 3,-2.1 -2,-0.4 2,-0.5 -0.981 72.5 -43.5-119.4 114.6 20.1 16.0 82.7 258 276 A G T 3 S- 0 0 25 -54,-0.6 -52,-0.0 -2,-0.6 -26,-0.0 -0.538 123.8 -28.0 67.5-113.8 19.2 14.2 85.8 259 277 A D T 3 S+ 0 0 90 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.123 118.2 101.8-117.7 19.3 16.0 12.3 85.0 260 278 A R E < -N 257 0C 57 -3,-2.1 -3,-2.5 -62,-0.0 2,-0.6 -0.871 66.0-138.0-109.2 131.1 14.9 14.7 82.3 261 279 A L E +N 256 0C 0 -127,-2.9 -5,-0.2 -2,-0.4 3,-0.1 -0.805 28.3 169.0 -84.1 121.1 15.3 14.3 78.5 262 280 A T E + 0 0 12 -7,-2.5 2,-0.3 -2,-0.6 -1,-0.1 0.791 57.6 3.3-106.6 -34.4 16.4 17.7 77.0 263 281 A E E -N 255 0C 40 -8,-1.0 -8,-2.5 -136,-0.1 2,-0.4 -0.977 51.8-144.5-151.1 160.3 17.4 17.1 73.4 264 282 A I E -N 254 0C 0 -140,-2.0 2,-0.7 -2,-0.3 -10,-0.2 -0.955 17.9-151.5-128.6 103.4 17.5 14.2 70.8 265 283 A N E +N 253 0C 40 -12,-2.7 -12,-2.3 -2,-0.4 -142,-0.1 -0.715 30.9 154.7 -82.3 113.7 20.5 14.3 68.4 266 284 A V + 0 0 3 -2,-0.7 -1,-0.2 -14,-0.2 -15,-0.1 0.460 62.9 58.0-114.9 -2.2 19.6 12.7 65.0 267 285 A T S S- 0 0 8 -181,-0.1 -180,-0.1 1,-0.1 -179,-0.1 0.937 125.4 -11.3 -94.8 -61.2 22.1 14.5 62.6 268 286 A S S S- 0 0 9 -182,-0.1 -248,-0.1 -15,-0.0 -247,-0.1 -0.327 71.0-173.2-139.3 57.8 25.6 13.8 63.8 269 287 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.157 12.5-180.0 -50.8 141.2 25.7 12.3 67.4 270 288 A T + 0 0 53 1,-0.1 -251,-0.1 -250,-0.1 -5,-0.0 -0.358 41.5 97.9-124.2-158.9 29.2 11.9 68.9 271 289 A C > + 0 0 1 -253,-0.4 4,-1.6 -2,-0.1 5,-0.2 0.465 51.7 123.7 85.6 11.8 31.0 10.7 72.1 272 290 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.955 73.0 46.1 -64.4 -53.3 31.9 7.3 70.7 273 291 A R H > S+ 0 0 53 -255,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.846 111.0 53.6 -57.3 -39.1 35.7 7.6 71.3 274 292 A E H > S+ 0 0 47 -256,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.855 114.7 38.0 -69.0 -38.4 35.3 8.9 74.8 275 293 A I H >X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.3 3,-0.7 0.902 114.8 55.8 -78.7 -38.4 33.1 6.0 76.0 276 294 A E H 3< S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 5,-0.2 0.661 101.5 57.0 -68.4 -21.9 35.0 3.3 74.0 277 295 A A H 3< S+ 0 0 88 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.804 114.6 35.1 -76.9 -34.5 38.3 4.2 75.5 278 296 A E H << S+ 0 0 125 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.538 118.3 50.6 -98.7 -12.2 37.3 3.6 79.1 279 297 A F S < S- 0 0 40 -4,-1.2 2,-1.9 2,-0.2 -1,-0.0 -0.937 82.2-113.0-137.3 154.5 34.9 0.7 78.5 280 298 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.255 77.1 110.4 -80.8 50.9 34.8 -2.7 76.8 281 299 A V - 0 0 25 -2,-1.9 2,-0.8 -6,-0.2 -2,-0.2 -0.976 55.0-152.3-127.6 138.6 32.2 -1.7 74.1 282 300 A S > + 0 0 58 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 -0.888 16.5 176.8-106.3 98.2 32.6 -1.2 70.3 283 301 A I H > S+ 0 0 0 -2,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.879 82.0 53.3 -68.0 -36.3 29.8 1.3 69.5 284 302 A T H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 108.1 51.3 -69.3 -31.3 31.0 1.4 65.8 285 303 A G H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 107.9 51.1 -70.0 -42.3 30.7 -2.4 65.7 286 304 A M H X S+ 0 0 54 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.914 111.2 50.0 -59.8 -39.7 27.2 -2.2 67.1 287 305 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 112.0 45.2 -63.2 -48.9 26.3 0.3 64.4 288 306 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.845 111.1 53.6 -70.9 -31.6 27.7 -1.7 61.5 289 307 A D H X S+ 0 0 88 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.944 111.0 47.3 -62.8 -43.1 26.1 -4.9 62.8 290 308 A A H X S+ 0 0 11 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.896 112.7 48.9 -65.5 -40.3 22.8 -3.0 62.8 291 309 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 111.8 48.3 -62.8 -52.2 23.4 -1.7 59.3 292 310 A E H X S+ 0 0 55 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.851 110.1 53.0 -57.3 -35.3 24.3 -5.1 58.0 293 311 A A H >X S+ 0 0 45 -4,-2.0 3,-1.2 -5,-0.2 4,-0.9 0.968 109.4 48.3 -65.0 -46.0 21.1 -6.5 59.7 294 312 A R H >< S+ 0 0 50 -4,-2.2 3,-0.7 1,-0.3 4,-0.3 0.873 106.8 58.0 -62.3 -35.1 19.0 -3.8 57.9 295 313 A L H 3< S+ 0 0 39 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.696 110.6 41.8 -71.2 -17.6 20.7 -4.7 54.6 296 314 A Q H << S+ 0 0 144 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.484 98.6 74.7-104.5 -7.0 19.6 -8.3 54.8 297 315 A Q << 0 0 138 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.475 360.0 360.0 -81.4 -2.9 16.1 -7.5 56.0 298 316 A Q 0 0 212 -4,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.944 360.0 360.0-140.1 360.0 15.1 -6.4 52.6