==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-AUG-02 1H3E . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.CUSACK,A.YAREMCHUK,I.KRIKLIVYI,M.TUKALO . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 0 1 2 3 3 1 1 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 6 A H 0 0 147 0, 0.0 5,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 127.2 120.2 60.6 77.4 2 7 A T > - 0 0 68 3,-0.1 4,-2.4 4,-0.1 3,-0.4 -0.240 360.0 -92.2 -72.6 168.8 122.3 58.9 80.1 3 8 A P H >> S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 3,-1.1 0.947 127.9 49.5 -43.4 -72.0 124.5 56.0 79.2 4 9 A E H 34 S+ 0 0 106 1,-0.3 4,-0.4 2,-0.2 21,-0.0 0.819 114.3 50.1 -37.3 -39.9 122.0 53.3 79.9 5 10 A E H >> S+ 0 0 99 -3,-0.4 4,-1.5 2,-0.2 3,-0.7 0.881 108.8 48.6 -71.6 -40.2 119.7 55.3 77.7 6 11 A A H S+ 0 0 52 -3,-0.7 4,-1.7 -4,-0.4 -1,-0.2 0.969 106.3 46.7 -80.9 -67.2 119.2 51.7 73.8 9 14 A L H < S+ 0 0 36 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.870 119.4 44.8 -40.6 -48.0 118.7 54.2 70.9 10 15 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.966 106.9 57.4 -62.5 -54.3 121.8 52.8 69.4 11 16 A K H >< S+ 0 0 106 -4,-1.4 3,-1.3 -5,-0.3 -1,-0.2 0.715 86.4 101.2 -51.2 -24.9 120.9 49.2 70.0 12 17 A R T 3< S+ 0 0 162 -4,-1.7 3,-0.1 -3,-0.4 -4,-0.0 -0.441 94.7 3.6 -69.3 130.2 117.7 49.7 68.0 13 18 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.390 101.1 131.0 78.7 -5.0 117.8 48.4 64.4 14 19 A A < - 0 0 19 -3,-1.3 -1,-0.3 -4,-0.2 202,-0.2 -0.619 56.0-144.4 -86.6 139.6 121.3 47.0 65.0 15 20 A E S S- 0 0 103 200,-1.0 2,-0.3 -2,-0.3 201,-0.2 0.999 73.9 -31.4 -60.4 -71.3 122.2 43.5 64.1 16 21 A E E -A 215 0A 61 199,-1.4 199,-3.0 2,-0.0 2,-0.5 -0.991 45.7-153.1-155.2 147.8 124.5 42.8 67.0 17 22 A I E > -A 214 0A 10 -2,-0.3 3,-0.9 197,-0.2 197,-0.2 -0.967 28.5-138.3-122.6 110.9 127.0 44.7 69.2 18 23 A V E 3 S+A 213 0A 40 195,-1.8 195,-1.9 -2,-0.5 -2,-0.0 -0.978 85.1 12.4-128.4 129.2 129.8 42.6 70.7 19 24 A P T >> S+ 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-0.8 0.335 78.4 179.6 -89.5 122.3 130.7 42.8 73.5 20 25 A E H X> S+ 0 0 68 -3,-0.9 4,-2.2 1,-0.3 3,-1.3 0.868 75.9 62.6 -52.7 -47.2 127.7 44.9 74.5 21 26 A E H 3> S+ 0 0 136 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.732 101.7 56.7 -55.2 -18.8 128.6 45.3 78.2 22 27 A E H <> S+ 0 0 30 -3,-1.7 4,-2.9 2,-0.2 -1,-0.3 0.799 105.0 48.2 -82.6 -31.1 131.7 47.2 76.9 23 28 A L H X S+ 0 0 44 -4,-1.1 3,-1.4 -5,-0.3 4,-0.7 0.987 109.2 50.4 -65.6 -61.5 130.6 50.9 79.9 26 31 A K H >< S+ 0 0 7 -4,-2.9 3,-0.8 1,-0.3 5,-0.4 0.793 106.5 58.4 -48.9 -32.2 132.4 53.2 77.4 27 32 A L H >< S+ 0 0 12 -4,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.889 99.8 57.2 -66.0 -38.3 129.2 55.3 77.3 28 33 A K H << S+ 0 0 116 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.630 85.6 80.5 -67.8 -15.4 129.5 55.8 81.0 29 34 A E T << S- 0 0 97 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.1 0.496 92.6-138.9 -72.0 -0.8 132.9 57.3 80.6 30 35 A G < + 0 0 72 -3,-1.3 -2,-0.1 1,-0.1 -3,-0.1 0.883 63.4 110.6 42.0 55.3 131.3 60.6 79.6 31 36 A R S S- 0 0 97 -5,-0.4 -2,-0.1 -4,-0.2 -1,-0.1 -0.964 82.5 -87.0-154.0 137.9 133.7 61.4 76.8 32 37 A P - 0 0 81 0, 0.0 33,-0.2 0, 0.0 32,-0.1 -0.236 47.4-141.4 -50.2 112.0 133.2 61.4 73.0 33 38 A L - 0 0 0 -2,-0.1 33,-1.5 27,-0.1 2,-0.8 -0.384 15.6-114.6 -74.0 158.0 133.9 57.8 71.9 34 39 A T E -b 66 0A 28 148,-0.2 151,-2.3 31,-0.1 150,-1.7 -0.845 29.0-164.0 -98.2 108.1 135.7 57.2 68.7 35 40 A V E -bc 67 185A 0 31,-3.0 33,-2.8 -2,-0.8 2,-0.3 -0.835 8.4-156.8 -98.4 114.0 133.4 55.5 66.2 36 41 A K E +bc 68 186A 0 149,-4.2 151,-4.2 -2,-0.7 2,-0.3 -0.672 20.3 164.4 -93.0 142.0 135.3 54.0 63.2 37 42 A L E -b 69 0A 13 31,-1.5 33,-1.8 -2,-0.3 2,-0.2 -0.806 11.9-171.2-157.0 110.5 133.9 53.3 59.8 38 43 A G E -b 70 0A 8 149,-0.3 2,-0.3 -2,-0.3 33,-0.2 -0.610 3.6-169.9-102.7 164.7 136.0 52.6 56.7 39 44 A A E -b 71 0A 16 31,-1.8 33,-2.2 -2,-0.2 37,-0.1 -0.950 18.6-137.4-153.8 131.3 135.0 52.2 53.1 40 45 A D - 0 0 6 389,-0.6 2,-3.5 -2,-0.3 3,-0.4 -0.780 12.7-146.7 -97.1 103.0 137.1 51.0 50.1 41 46 A P + 0 0 0 0, 0.0 58,-0.3 0, 0.0 59,-0.2 -0.261 48.4 140.9 -64.3 64.0 136.5 53.2 47.1 42 47 A T S S+ 0 0 25 -2,-3.5 57,-0.0 1,-0.3 31,-0.0 0.798 81.4 15.9 -74.5 -28.8 136.9 50.4 44.6 43 48 A R S S- 0 0 134 -3,-0.4 -1,-0.3 2,-0.1 187,-0.1 -0.990 96.3-104.3-142.1 142.2 134.1 52.0 42.7 44 49 A P S S+ 0 0 51 0, 0.0 56,-0.1 0, 0.0 55,-0.1 -0.021 75.3 39.3 -64.3 167.2 132.7 55.6 43.1 45 50 A D - 0 0 63 54,-0.4 2,-0.2 192,-0.1 58,-0.1 0.612 68.2-119.9 68.0 138.1 129.5 56.7 44.8 46 51 A L - 0 0 8 56,-0.2 192,-1.6 3,-0.0 193,-0.4 -0.486 31.0-160.8 -96.6 174.0 127.9 55.4 48.0 47 52 A H B >> -F 237 0B 9 190,-0.3 4,-1.8 -2,-0.2 3,-0.5 -0.896 39.8 -77.6-149.1 178.0 124.4 54.0 48.0 48 53 A L H 3> S+ 0 0 0 188,-2.1 4,-0.9 -2,-0.3 189,-0.1 0.772 123.4 64.7 -53.3 -26.5 121.5 53.1 50.2 49 54 A G H >> S+ 0 0 14 1,-0.2 3,-2.0 2,-0.2 4,-0.6 0.988 104.8 43.3 -58.0 -57.2 123.4 50.1 51.4 50 55 A H H X> S+ 0 0 34 -3,-0.5 4,-3.0 1,-0.3 3,-0.8 0.844 101.0 70.6 -54.4 -38.5 126.0 52.3 53.0 51 56 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.803 88.6 66.6 -50.9 -29.1 123.3 54.5 54.3 52 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-1.1 0.944 108.3 55.6 -54.6 -49.9 127.1 56.7 62.6 58 63 A R H 3X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.912 104.7 53.1 -48.0 -47.7 125.1 59.9 62.3 59 64 A Q H 3< S+ 0 0 32 -4,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.787 105.9 52.8 -61.1 -29.8 123.1 58.7 65.3 60 65 A F H X<>S+ 0 0 0 -4,-1.3 5,-2.4 -3,-1.1 3,-0.7 0.863 109.8 48.1 -73.2 -36.3 126.4 58.3 67.2 61 66 A Q H ><5S+ 0 0 2 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.911 105.3 60.5 -66.7 -40.8 127.3 61.9 66.3 62 67 A E T 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.622 103.0 50.9 -60.4 -17.9 123.9 62.9 67.4 63 68 A L T < 5S- 0 0 35 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.053 130.1 -97.5-107.6 20.4 124.6 61.6 70.9 64 69 A G T < 5S+ 0 0 36 -3,-2.4 -3,-0.2 1,-0.2 2,-0.2 0.515 78.6 133.5 81.0 9.0 127.8 63.6 70.9 65 70 A H < - 0 0 18 -5,-2.4 2,-0.4 -33,-0.2 -1,-0.2 -0.605 55.1-114.1 -93.1 155.2 130.4 61.0 69.9 66 71 A K E -b 34 0A 51 -33,-1.5 -31,-3.0 -2,-0.2 2,-0.4 -0.714 23.6-153.4 -91.3 136.2 133.1 61.6 67.3 67 72 A V E -bd 35 118A 0 50,-2.2 52,-2.6 -2,-0.4 2,-0.6 -0.863 2.2-159.9-107.4 136.8 133.1 59.6 64.0 68 73 A V E -bd 36 119A 4 -33,-2.8 -31,-1.5 -2,-0.4 2,-0.7 -0.969 7.5-155.3-119.3 115.3 136.3 58.9 62.1 69 74 A L E -bd 37 120A 8 50,-2.9 52,-2.3 -2,-0.6 2,-0.7 -0.818 7.5-157.1 -92.9 117.5 135.7 58.0 58.4 70 75 A I E -bd 38 121A 0 -33,-1.8 -31,-1.8 -2,-0.7 2,-1.0 -0.848 4.3-151.8 -98.2 114.1 138.5 56.0 57.1 71 76 A I E -bd 39 122A 0 50,-3.9 2,-2.7 -2,-0.7 52,-0.9 -0.748 12.7-145.1 -87.2 105.3 138.8 56.2 53.3 72 77 A G > + 0 0 0 -33,-2.2 4,-1.5 -2,-1.0 50,-0.1 -0.376 45.7 145.0 -71.0 70.5 140.4 52.8 52.4 73 78 A D T 4 S+ 0 0 0 -2,-2.7 -1,-0.2 2,-0.2 23,-0.2 0.780 79.7 37.9 -77.7 -25.4 142.5 54.0 49.5 74 79 A F T >> S+ 0 0 38 -3,-0.3 3,-2.0 2,-0.2 4,-1.3 0.927 118.1 45.4 -86.7 -56.4 145.2 51.6 50.5 75 80 A T H >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-0.8 0.932 108.0 60.9 -51.1 -47.0 143.1 48.6 51.6 76 81 A G H 3< S+ 0 0 1 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 98.4 57.9 -55.0 -20.3 141.1 49.2 48.5 77 82 A M H <4 S+ 0 0 59 -3,-2.0 14,-0.9 1,-0.1 -1,-0.3 0.916 112.0 40.0 -75.5 -42.7 144.2 48.6 46.5 78 83 A I H << S- 0 0 35 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.1 0.889 110.7-129.2 -71.1 -45.1 144.5 45.1 48.1 79 84 A G < - 0 0 6 -4,-3.0 91,-0.2 -5,-0.1 9,-0.2 0.612 11.6-104.2 95.6 115.9 140.8 44.3 48.0 80 85 A D - 0 0 8 349,-0.2 4,-0.3 1,-0.1 87,-0.1 -0.598 24.4-162.2 -76.2 116.6 138.6 43.0 50.9 81 86 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.667 47.6 125.8 -70.5 -21.7 137.9 39.3 50.5 82 87 A S S S- 0 0 6 1,-0.2 2,-2.0 3,-0.1 3,-0.1 -0.152 91.4 -9.2 -42.3 124.9 134.9 39.3 52.9 83 88 A G S S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.0 109,-0.0 -0.358 101.9 119.2 81.4 -61.7 132.1 37.7 50.9 84 89 A R - 0 0 60 -2,-2.0 -1,-0.2 -4,-0.3 4,-0.1 -0.044 49.1-160.3 -38.9 137.3 133.8 37.7 47.5 85 90 A S S S+ 0 0 81 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.027 77.1 45.8-111.9 24.3 134.1 34.1 46.4 86 91 A K S S- 0 0 143 -5,-0.1 -1,-0.1 75,-0.0 77,-0.1 -0.922 105.8 -83.3-164.1 138.4 136.8 35.0 44.0 87 92 A T - 0 0 38 75,-0.4 -2,-0.1 -2,-0.3 -7,-0.1 -0.194 50.2-120.7 -45.5 128.3 140.0 37.1 44.4 88 93 A R - 0 0 55 -9,-0.2 -1,-0.1 -10,-0.1 79,-0.0 -0.432 37.1-102.7 -68.3 150.6 138.9 40.7 43.9 89 94 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.495 42.3 -88.3 -79.8 154.5 140.8 42.3 41.0 90 95 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.037 38.8-167.1 -54.4 154.7 143.8 44.6 41.5 91 96 A L - 0 0 35 -14,-0.9 2,-0.1 4,-0.0 -12,-0.0 -0.976 18.9-124.4-149.0 129.9 143.4 48.4 41.8 92 97 A T > - 0 0 57 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.404 22.3-122.0 -74.3 153.3 146.1 51.1 41.7 93 98 A L H > S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.745 115.3 58.0 -65.2 -20.8 146.5 53.5 44.6 94 99 A E H > S+ 0 0 136 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.847 106.2 49.2 -76.3 -32.8 145.8 56.3 42.1 95 100 A E H >> S+ 0 0 80 -3,-0.5 3,-2.6 2,-0.2 4,-2.0 0.992 108.5 48.7 -68.1 -62.8 142.5 54.8 41.2 96 101 A T H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.822 110.2 54.8 -48.9 -33.4 141.1 54.3 44.6 97 102 A R H 3X S+ 0 0 99 -4,-1.1 4,-0.6 -5,-0.2 -1,-0.3 0.720 104.2 54.3 -74.4 -20.6 142.1 57.9 45.3 98 103 A E H XX S+ 0 0 96 -3,-2.6 3,-0.8 -4,-0.7 4,-0.5 0.934 111.5 44.0 -74.6 -47.6 140.1 59.0 42.4 99 104 A N H >X S+ 0 0 31 -4,-2.0 3,-1.6 -58,-0.3 4,-1.0 0.935 98.9 72.3 -61.3 -46.0 137.0 57.3 43.6 100 105 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.802 84.8 70.0 -37.5 -40.9 137.6 58.5 47.2 101 106 A K H < S+ 0 0 77 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.949 119.2 42.1 -47.9 -61.8 131.5 64.5 49.1 106 111 A Q H >< S+ 0 0 15 -4,-3.1 3,-2.0 1,-0.2 4,-0.4 0.753 97.4 70.7 -62.1 -34.8 128.7 62.0 49.5 107 112 A A H >X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.3 3,-2.2 0.877 89.4 70.1 -52.1 -35.4 129.2 60.8 53.1 108 113 A G T << S+ 0 0 13 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.718 78.6 73.8 -54.3 -28.5 128.0 64.3 54.0 109 114 A K T <4 S+ 0 0 39 -3,-2.0 191,-3.1 -4,-0.2 -1,-0.3 0.761 119.9 14.8 -59.6 -23.4 124.5 63.6 52.9 110 115 A I T <4 S+ 0 0 0 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.2 0.698 116.3 74.1-119.7 -35.2 124.2 61.5 56.1 111 116 A L S < S- 0 0 0 -4,-2.8 2,-0.3 -5,-0.2 7,-0.1 -0.481 75.8-118.8 -86.9 153.8 127.2 62.4 58.3 112 117 A R - 0 0 48 5,-0.2 -45,-0.1 -2,-0.2 -1,-0.1 -0.677 17.7-160.3 -86.0 142.8 127.7 65.5 60.4 113 118 A Q + 0 0 75 -2,-0.3 5,-0.2 -5,-0.1 -1,-0.1 0.532 44.7 128.9-103.1 -8.7 130.8 67.5 59.4 114 119 A E >> - 0 0 74 1,-0.2 3,-3.9 3,-0.1 4,-0.7 -0.308 66.0-125.0 -54.2 113.2 131.4 69.5 62.5 115 120 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.593 106.4 57.7 -31.8 -31.8 135.1 68.9 63.4 116 121 A H T 34 S+ 0 0 129 1,-0.2 3,-0.1 -50,-0.0 -2,-0.1 0.578 117.4 33.9 -85.4 -5.3 134.4 67.8 67.0 117 122 A L T <4 S+ 0 0 6 -3,-3.9 -50,-2.2 1,-0.2 2,-0.3 0.348 118.8 47.1-125.7 3.1 132.2 65.0 65.6 118 123 A F E < +d 67 0A 27 -4,-0.7 2,-0.4 -52,-0.2 -1,-0.2 -0.892 50.1 176.1-156.0 124.1 133.9 64.0 62.4 119 124 A E E -d 68 0A 73 -52,-2.6 -50,-2.9 -2,-0.3 2,-0.4 -0.951 17.2-147.8-124.6 143.6 137.4 63.3 61.1 120 125 A L E +d 69 0A 61 -2,-0.4 2,-0.3 -52,-0.2 -50,-0.2 -0.926 23.0 166.5-113.1 133.9 138.5 62.2 57.7 121 126 A R E -d 70 0A 49 -52,-2.3 -50,-3.9 -2,-0.4 2,-0.6 -0.998 29.5-149.0-148.5 140.5 141.4 60.0 57.1 122 127 A Y E > -d 71 0A 61 -2,-0.3 3,-2.6 -52,-0.2 4,-0.3 -0.948 20.6-142.3-104.8 117.6 142.8 57.9 54.2 123 128 A N T 3> S+ 0 0 0 -52,-0.9 4,-2.3 -2,-0.6 3,-0.4 0.687 93.2 81.1 -58.9 -12.1 144.6 54.8 55.7 124 129 A S H 3> S+ 0 0 5 -53,-0.5 4,-1.1 1,-0.2 -1,-0.3 0.741 80.7 71.6 -63.0 -16.9 147.3 55.1 53.0 125 130 A E H <4 S+ 0 0 119 -3,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.980 115.4 17.1 -61.2 -54.5 148.6 57.8 55.4 126 131 A W H 4 S+ 0 0 36 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.560 122.8 60.5 -97.4 -7.2 149.7 55.2 57.9 127 132 A L H >< S+ 0 0 6 -4,-2.3 3,-1.4 1,-0.1 -3,-0.2 0.791 89.6 63.7 -93.1 -27.7 149.7 52.0 55.8 128 133 A E T 3< S+ 0 0 114 -4,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.876 107.4 45.3 -63.6 -34.0 152.2 52.7 53.1 129 134 A G T 3 S+ 0 0 60 -4,-0.3 2,-0.3 -5,-0.2 -1,-0.3 0.255 76.9 126.3 -93.7 12.5 155.0 53.0 55.6 130 135 A L < - 0 0 31 -3,-1.4 2,-0.2 1,-0.1 -3,-0.0 -0.605 62.2-129.2 -68.2 131.0 154.1 49.9 57.6 131 136 A T > - 0 0 75 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.506 10.1-116.2 -87.5 154.6 157.4 48.0 57.5 132 137 A F H > S+ 0 0 174 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.924 120.6 50.1 -53.1 -44.9 158.0 44.4 56.5 133 138 A K H > S+ 0 0 183 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.893 109.9 51.1 -62.9 -34.9 159.1 43.7 60.0 134 139 A E H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.863 108.0 51.9 -69.7 -34.4 155.9 45.4 61.3 135 140 A V H >X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.2 3,-0.9 0.954 102.7 58.6 -62.9 -52.6 153.7 43.3 59.0 136 141 A V H 3< S+ 0 0 75 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.820 105.2 51.9 -46.9 -35.5 155.3 40.0 60.3 137 142 A R H 3< S+ 0 0 107 -4,-1.1 4,-0.3 -5,-0.2 -1,-0.3 0.864 109.8 47.8 -74.3 -34.1 154.2 41.0 63.7 138 143 A L H X< S+ 0 0 4 -4,-1.2 3,-2.5 -3,-0.9 -2,-0.2 0.989 112.6 47.0 -68.6 -55.4 150.6 41.6 62.6 139 144 A T G >< S+ 0 0 49 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.540 103.5 64.2 -63.6 -6.3 150.4 38.3 60.7 140 145 A S G 3 S+ 0 0 81 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.566 83.9 77.4 -93.1 -6.2 151.9 36.4 63.6 141 146 A L G < S+ 0 0 50 -3,-2.5 2,-0.3 -4,-0.3 -1,-0.2 0.428 99.5 39.4 -80.0 0.0 148.9 37.4 65.7 142 147 A M S < S- 0 0 30 -3,-0.5 2,-0.2 -4,-0.1 3,-0.0 -0.984 75.5-124.6-147.8 158.8 146.7 34.7 64.1 143 148 A T >> - 0 0 68 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.678 23.8-117.9-106.2 158.3 146.9 31.1 62.8 144 149 A V H >> S+ 0 0 107 1,-0.3 4,-2.6 -2,-0.2 3,-0.6 0.951 114.3 57.1 -54.3 -55.6 146.2 29.5 59.4 145 150 A A H 34 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.772 107.4 51.2 -48.8 -28.6 143.5 27.3 60.8 146 151 A Q H X4 S+ 0 0 76 -3,-0.8 3,-0.5 2,-0.2 -1,-0.3 0.884 108.6 48.0 -79.1 -40.1 141.8 30.5 62.0 147 152 A M H X< S+ 0 0 9 -4,-1.7 3,-1.9 -3,-0.6 6,-0.2 0.978 113.1 48.6 -62.9 -52.7 141.9 32.3 58.7 148 153 A L T 3< S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.587 94.5 77.0 -62.8 -9.6 140.5 29.2 56.9 149 154 A E T < S+ 0 0 156 -3,-0.5 -1,-0.3 -5,-0.3 2,-0.3 0.462 73.7 108.2 -80.4 1.1 137.9 29.1 59.6 150 155 A R S <> S- 0 0 12 -3,-1.9 4,-3.6 1,-0.1 5,-0.3 -0.602 77.1-127.6 -82.8 140.4 136.1 31.9 57.8 151 156 A E H > S+ 0 0 127 -2,-0.3 4,-2.1 2,-0.2 5,-0.3 0.948 109.0 45.6 -43.4 -66.2 132.9 31.2 55.9 152 157 A D H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 119.5 38.6 -43.2 -64.8 134.2 32.9 52.7 153 158 A F H > S+ 0 0 0 -6,-0.2 4,-3.4 2,-0.2 5,-0.2 0.883 113.2 55.1 -59.6 -45.3 137.7 31.2 52.8 154 159 A K H X S+ 0 0 100 -4,-3.6 4,-3.0 -7,-0.2 5,-0.4 0.984 109.4 47.0 -50.3 -68.4 136.5 27.8 54.0 155 160 A K H X S+ 0 0 119 -4,-2.1 4,-3.5 -5,-0.3 -1,-0.2 0.866 115.7 45.3 -38.4 -55.9 134.0 27.4 51.2 156 161 A R H <>S+ 0 0 3 -4,-2.0 5,-3.3 -5,-0.3 -1,-0.2 0.926 113.8 48.2 -59.8 -47.9 136.6 28.5 48.6 157 162 A Y H ><5S+ 0 0 156 -4,-3.4 3,-1.5 3,-0.2 -2,-0.2 0.956 117.3 41.3 -58.5 -52.8 139.4 26.3 49.9 158 163 A E H 3<5S+ 0 0 126 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.947 113.0 54.5 -59.9 -49.2 137.2 23.2 50.1 159 164 A A T 3<5S- 0 0 66 -4,-3.5 -1,-0.3 -5,-0.4 -2,-0.2 0.493 115.4-119.9 -65.2 0.3 135.6 24.1 46.8 160 165 A G T < 5 + 0 0 62 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.811 60.8 152.0 65.3 28.4 139.1 24.2 45.4 161 166 A I < - 0 0 69 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.847 52.8-101.5 -97.4 119.7 138.8 27.8 44.4 162 167 A P - 0 0 105 0, 0.0 2,-0.5 0, 0.0 -75,-0.4 0.062 33.6-166.3 -38.4 133.1 142.1 29.8 44.3 163 168 A I - 0 0 46 -77,-0.1 2,-0.2 -6,-0.0 5,-0.1 -0.956 17.9-135.6-129.5 111.8 142.8 32.0 47.2 164 169 A S > - 0 0 54 -2,-0.5 3,-1.5 1,-0.2 4,-0.2 -0.463 14.9-130.5 -67.8 135.0 145.7 34.4 46.7 165 170 A L G > S+ 0 0 138 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.850 105.5 62.9 -55.4 -36.5 147.8 34.5 49.7 166 171 A H G >> S+ 0 0 77 1,-0.3 3,-2.6 2,-0.2 4,-1.0 0.805 84.9 75.2 -61.6 -27.8 147.8 38.3 49.8 167 172 A E G <4 S+ 0 0 4 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.638 89.0 63.3 -58.6 -10.5 144.0 38.1 50.4 168 173 A L G <4 S+ 0 0 38 -3,-2.2 4,-0.5 -4,-0.2 -1,-0.3 0.627 92.0 60.6 -90.6 -13.2 145.1 37.1 53.9 169 174 A L T X> S+ 0 0 68 -3,-2.6 4,-1.7 -4,-0.2 3,-1.3 0.903 84.1 79.9 -79.1 -37.0 146.8 40.4 54.7 170 175 A Y H 3X S+ 0 0 0 -4,-1.0 4,-2.5 1,-0.3 5,-0.3 0.806 86.8 56.8 -38.5 -47.7 143.6 42.5 54.3 171 176 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.3 0.957 111.1 44.0 -53.3 -46.7 142.2 41.6 57.7 172 177 A F H <> S+ 0 0 12 -3,-1.3 4,-2.7 -4,-0.5 -2,-0.2 0.854 109.0 54.9 -66.3 -37.9 145.4 43.0 59.3 173 178 A A H X S+ 0 0 10 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.938 114.8 41.7 -61.7 -43.7 145.7 46.1 57.2 174 179 A Q H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.940 111.3 56.6 -67.7 -44.5 142.1 46.9 58.3 175 180 A A H >X S+ 0 0 0 -4,-3.1 3,-1.4 -5,-0.3 4,-0.9 0.908 103.4 54.6 -52.7 -45.1 142.8 45.9 61.8 176 181 A Y H >X S+ 0 0 37 -4,-2.7 4,-3.1 1,-0.3 3,-0.9 0.927 92.6 68.1 -56.3 -49.7 145.7 48.3 62.1 177 182 A D H 3X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.3 -1,-0.3 0.821 98.7 56.4 -40.9 -32.1 143.6 51.3 61.1 178 183 A S H <<>S+ 0 0 0 -3,-1.4 5,-1.8 -4,-0.8 3,-0.4 0.953 109.4 41.6 -66.1 -49.4 142.0 50.6 64.5 179 184 A V H X<5S+ 0 0 15 -3,-0.9 3,-1.6 -4,-0.9 -2,-0.2 0.937 107.7 64.6 -60.4 -47.5 145.3 50.9 66.3 180 185 A A H 3<5S+ 0 0 34 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 119.2 21.8 -45.3 -39.8 146.1 53.9 64.1 181 186 A I T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.137 100.5-119.3-121.4 23.1 143.2 55.8 65.6 182 187 A R T < 5 - 0 0 167 -3,-1.6 -148,-0.2 -4,-0.4 -3,-0.2 0.894 41.4-159.9 39.6 53.9 142.5 54.2 69.0 183 188 A A < - 0 0 2 -5,-1.8 -1,-0.2 1,-0.2 -148,-0.1 -0.403 21.8-167.9 -66.8 134.7 139.0 53.4 67.8 184 189 A D S S+ 0 0 11 -150,-1.7 28,-2.7 1,-0.3 2,-0.3 0.790 79.4 16.8 -87.4 -33.5 136.5 52.7 70.6 185 190 A V E -ce 35 212A 0 -151,-2.3 -149,-4.2 26,-0.3 2,-0.5 -0.997 64.4-156.1-143.5 133.4 133.9 51.3 68.2 186 191 A E E -ce 36 213A 0 26,-1.7 28,-2.1 -2,-0.3 -149,-0.2 -0.958 18.7-147.4-112.0 123.5 134.2 50.0 64.6 187 192 A M E + e 0 214A 4 -151,-4.2 -149,-0.3 -2,-0.5 2,-0.3 -0.494 29.9 145.5 -86.0 158.0 130.9 50.2 62.7 188 193 A G E - e 0 215A 4 26,-1.3 28,-3.6 -2,-0.2 2,-0.1 -0.950 47.8 -93.4 177.5 162.3 130.0 47.6 60.0 189 194 A G E > - e 0 216A 10 -2,-0.3 3,-1.9 26,-0.2 29,-0.1 -0.505 54.4-102.5 -80.0 158.1 127.8 45.5 57.9 190 195 A T G > S+ 0 0 49 26,-1.6 3,-1.5 1,-0.3 -1,-0.1 0.760 119.3 71.4 -52.6 -26.2 127.4 41.9 59.1 191 196 A D G 3 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.324 92.6 60.1 -76.1 13.3 129.8 40.8 56.4 192 197 A Q G <> + 0 0 12 -3,-1.9 4,-2.9 2,-0.1 -1,-0.3 0.132 65.0 111.2-123.0 13.7 132.5 42.5 58.4 193 198 A R H <> S+ 0 0 107 -3,-1.5 4,-2.2 2,-0.2 3,-0.4 0.981 82.0 46.0 -50.9 -69.2 132.3 40.5 61.6 194 199 A F H > S+ 0 0 41 1,-0.3 4,-3.1 2,-0.2 3,-0.4 0.847 114.0 46.9 -38.5 -58.7 135.7 38.8 61.0 195 200 A N H > S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.921 113.1 50.1 -54.9 -45.3 137.5 42.0 60.1 196 201 A L H X S+ 0 0 1 -4,-2.9 4,-0.8 -3,-0.4 -1,-0.3 0.803 112.4 48.2 -64.1 -29.8 136.0 43.8 63.1 197 202 A L H >X S+ 0 0 64 -4,-2.2 4,-2.1 -3,-0.4 3,-1.2 0.935 106.3 53.4 -77.1 -46.9 137.1 41.0 65.3 198 203 A V H 3X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.3 5,-0.2 0.833 102.9 64.3 -56.2 -25.4 140.6 40.8 64.0 199 204 A G H 3X S+ 0 0 0 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.3 0.884 102.6 44.8 -64.5 -38.5 140.5 44.5 64.9 200 205 A R H <>S+ 0 0 0 -4,-1.3 5,-1.3 -3,-0.3 3,-0.8 0.950 104.1 50.8 -68.9 -43.5 144.4 46.2 69.3 204 209 A R H ><5S+ 0 0 118 -4,-2.4 3,-3.5 1,-0.3 -2,-0.2 0.957 105.0 57.5 -55.2 -52.0 145.2 44.0 72.3 205 210 A A H 3<5S+ 0 0 31 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.824 110.1 44.8 -48.1 -32.8 148.6 43.3 70.7 206 211 A Y T <<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.148 120.8-110.4-100.6 21.3 149.1 47.0 70.7 207 212 A G T < 5S+ 0 0 63 -3,-3.5 2,-0.3 1,-0.2 -3,-0.2 0.924 71.4 135.2 52.6 54.6 147.9 47.4 74.3 208 213 A Q < - 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0 0 56 -29,-0.1 2,-0.5 -166,-0.0 -169,-0.1 -0.732 25.4-130.8 -88.7 132.7 122.9 44.1 55.2 219 224 A L - 0 0 4 -2,-0.4 9,-2.7 9,-0.1 2,-0.2 -0.714 22.2-130.7 -83.7 127.5 120.5 45.8 52.9 220 225 A V B -G 227 0C 31 -2,-0.5 7,-0.3 7,-0.3 6,-0.1 -0.543 24.4-121.5 -78.4 142.4 119.5 43.6 50.0 221 226 A G > - 0 0 0 5,-2.6 3,-2.9 -2,-0.2 14,-0.2 -0.261 32.3 -86.5 -82.7 169.6 119.7 45.1 46.5 222 227 A L T 3 S+ 0 0 42 12,-2.2 13,-0.1 1,-0.3 -1,-0.1 0.677 118.9 71.4 -45.8 -25.7 117.0 45.5 43.8 223 228 A D T 3 S- 0 0 72 3,-0.2 -1,-0.3 11,-0.2 4,-0.1 0.837 103.6-128.6 -64.5 -29.1 117.6 42.0 42.5 224 229 A G S < S+ 0 0 22 -3,-2.9 -1,-0.1 2,-0.4 -2,-0.1 -0.042 88.5 49.2 108.7 -32.7 115.9 40.7 45.5 225 230 A R S S+ 0 0 221 2,-0.1 -1,-0.1 -5,-0.0 -3,-0.0 0.860 94.0 59.6-102.8 -68.3 118.6 38.2 46.7 226 231 A E S S- 0 0 113 -6,-0.1 -5,-2.6 1,-0.1 -2,-0.4 -0.230 88.6 -98.1 -66.9 153.0 122.1 39.6 46.8 227 232 A K B -G 220 0C 78 -7,-0.3 -7,-0.3 1,-0.1 -1,-0.1 -0.318 49.1 -86.8 -69.9 153.8 123.1 42.5 49.0 228 233 A M + 0 0 3 -9,-2.7 2,-0.3 -7,-0.1 -1,-0.1 -0.395 61.4 164.2 -62.8 135.2 123.3 46.0 47.5 229 234 A S >>> - 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