==== 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 LIGASE 28-OCT-02 1N3L . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-L.YANG,R.J.SKENE,D.E.MCREE,P.SCHIMMEL . 332 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 2 3 2 1 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 4 A A 0 0 133 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 68.3 43.7 12.1 2 5 A P - 0 0 65 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.360 360.0-149.3 -79.6 146.6 67.7 41.9 14.1 3 6 A S > - 0 0 37 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.161 29.3 -99.1 -71.2 169.4 71.0 42.4 15.8 4 7 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.884 126.1 51.9 -57.7 -35.7 73.0 39.8 17.8 5 8 A E H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.911 110.3 47.9 -68.3 -42.2 71.6 41.4 21.0 6 9 A E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 112.1 49.1 -64.6 -43.1 68.0 41.2 19.7 7 10 A K H X S+ 0 0 32 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.930 110.3 51.6 -60.3 -43.9 68.6 37.5 18.7 8 11 A L H X S+ 0 0 32 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.903 109.9 49.8 -60.7 -41.5 70.0 36.8 22.1 9 12 A H H X S+ 0 0 116 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.924 112.7 45.3 -64.4 -44.1 67.0 38.3 23.8 10 13 A L H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 115.2 48.5 -65.2 -42.1 64.5 36.4 21.8 11 14 A I H < S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.923 122.6 32.0 -63.1 -41.2 66.5 33.1 22.2 12 15 A T H >< S+ 0 0 36 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.566 83.7 121.0-104.3 -4.0 66.8 33.4 26.0 13 16 A R T 3< S+ 0 0 43 -4,-2.0 3,-0.1 1,-0.3 45,-0.1 -0.269 84.9 9.6 -61.1 144.9 63.7 35.3 27.1 14 17 A N T 3 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.303 94.4 133.6 68.8 -4.9 61.6 33.3 29.7 15 18 A L < - 0 0 26 -3,-1.8 194,-0.3 194,-0.2 -1,-0.2 -0.371 53.7-144.7 -69.8 151.7 64.3 30.7 30.2 16 19 A Q S S+ 0 0 113 192,-2.2 2,-0.3 1,-0.3 193,-0.2 0.871 79.3 4.2 -78.2 -38.1 65.2 29.6 33.7 17 20 A E E -A 208 0A 59 191,-1.9 191,-2.8 2,-0.0 2,-0.4 -0.997 53.8-156.5-154.6 144.9 68.9 29.1 32.9 18 21 A V E -A 207 0A 47 -2,-0.3 2,-0.5 189,-0.2 3,-0.3 -0.991 9.0-167.5-117.0 126.3 71.5 29.4 30.2 19 22 A L E S+A 206 0A 30 187,-2.8 187,-2.4 -2,-0.4 -2,-0.0 -0.955 74.9 28.8-106.3 127.4 74.7 27.4 30.1 20 23 A G > + 0 0 30 -2,-0.5 4,-2.6 185,-0.2 3,-0.2 0.738 61.5 156.1 97.8 26.9 77.3 28.5 27.6 21 24 A E H > S+ 0 0 103 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.875 72.9 58.3 -52.0 -37.1 76.6 32.3 27.3 22 25 A E H > S+ 0 0 148 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 112.0 38.3 -60.7 -48.9 80.2 32.9 26.1 23 26 A K H > S+ 0 0 104 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 112.6 58.4 -69.2 -37.6 79.9 30.6 23.1 24 27 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.944 109.5 43.8 -57.0 -48.0 76.3 31.6 22.4 25 28 A K H X S+ 0 0 88 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.902 110.9 54.9 -66.0 -38.0 77.5 35.3 22.0 26 29 A E H < S+ 0 0 82 -4,-2.0 4,-0.4 -5,-0.2 3,-0.4 0.922 111.1 45.5 -62.0 -42.8 80.5 34.3 19.9 27 30 A I H >X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 3,-2.0 0.948 109.0 53.7 -64.9 -45.0 78.2 32.4 17.5 28 31 A L H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.712 98.8 64.3 -70.2 -17.2 75.6 35.2 17.2 29 32 A K T 3< S+ 0 0 139 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.650 121.4 19.4 -69.0 -21.5 78.3 37.7 16.2 30 33 A E T <4 S- 0 0 168 -3,-2.0 2,-0.3 -4,-0.4 -2,-0.2 0.716 123.8 -10.7-121.4 -33.2 78.9 35.7 13.1 31 34 A R S < S- 0 0 94 -4,-2.7 -1,-0.3 0, 0.0 2,-0.2 -0.907 78.0 -60.1-161.7 178.5 76.0 33.3 12.1 32 35 A E - 0 0 53 -2,-0.3 2,-0.2 -3,-0.1 32,-0.1 -0.528 51.7-114.6 -80.5 142.6 72.7 31.7 13.0 33 36 A L - 0 0 0 -2,-0.2 32,-2.5 29,-0.1 2,-0.5 -0.590 20.0-144.5 -73.2 138.3 72.5 29.4 16.0 34 37 A K E +b 65 0A 71 -2,-0.2 143,-2.2 30,-0.2 144,-1.3 -0.939 28.7 172.8-105.7 125.3 71.8 25.7 15.4 35 38 A I E -bc 66 178A 1 30,-2.8 32,-2.7 -2,-0.5 2,-0.4 -0.970 17.4-159.2-133.4 144.0 69.6 24.2 18.1 36 39 A Y E -bc 67 179A 2 142,-1.9 144,-2.5 -2,-0.3 2,-0.4 -0.946 3.1-169.4-120.9 157.5 67.8 21.0 18.8 37 40 A W E -b 68 0A 20 30,-2.2 32,-2.4 -2,-0.4 2,-0.4 -0.996 14.7-145.0-135.8 132.8 64.9 20.0 21.0 38 41 A G E -b 69 0A 25 142,-0.5 2,-0.4 -2,-0.4 32,-0.2 -0.795 14.8-173.4 -99.4 143.5 63.8 16.4 21.7 39 42 A T E -b 70 0A 13 30,-2.7 32,-2.6 -2,-0.4 2,-0.1 -0.994 21.5-130.2-129.4 140.2 60.3 15.2 22.2 40 43 A A - 0 0 45 -2,-0.4 32,-0.1 30,-0.2 29,-0.0 -0.391 13.2-150.0 -65.8 160.0 58.8 11.9 23.2 41 44 A T + 0 0 0 30,-0.4 53,-0.1 -2,-0.1 52,-0.1 0.055 69.0 88.3-124.6 30.4 56.0 10.6 21.0 42 45 A T S S+ 0 0 54 2,-0.0 -1,-0.0 49,-0.0 30,-0.0 0.924 72.9 53.3 -98.7 -58.5 54.0 8.6 23.5 43 46 A G S S- 0 0 41 1,-0.1 0, 0.0 47,-0.0 0, 0.0 0.358 87.4 -99.7 -60.0-158.4 51.3 10.7 25.3 44 47 A K - 0 0 97 50,-0.0 -1,-0.1 288,-0.0 -2,-0.0 -0.991 44.4-119.3-126.1 108.1 48.6 12.9 23.7 45 48 A P - 0 0 5 0, 0.0 180,-1.5 0, 0.0 2,-0.2 -0.263 31.2-172.3 -68.2 144.9 49.7 16.5 23.9 46 49 A H B > -F 224 0B 66 178,-0.2 3,-2.5 179,-0.1 4,-0.2 -0.527 48.5 -73.3-120.9-176.5 47.7 19.0 25.8 47 50 A V G > S+ 0 0 5 176,-2.2 3,-2.2 1,-0.3 4,-0.2 0.769 120.7 74.0 -65.0 -19.9 48.0 22.8 26.0 48 51 A A G > S+ 0 0 39 1,-0.3 3,-2.2 175,-0.2 -1,-0.3 0.731 80.6 74.8 -55.4 -24.2 51.1 22.7 28.2 49 52 A Y G <> S+ 0 0 28 -3,-2.5 4,-1.8 1,-0.3 -1,-0.3 0.712 79.7 72.6 -64.6 -21.2 52.9 21.6 25.0 50 53 A F H <> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.2 -1,-0.3 0.728 84.0 70.0 -61.7 -20.8 52.6 25.3 24.0 51 54 A V H <> S+ 0 0 14 -3,-2.2 4,-1.0 2,-0.2 3,-0.3 0.984 107.6 31.9 -67.5 -52.4 55.3 26.1 26.6 52 55 A P H >> S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 3,-0.6 0.910 117.7 59.1 -66.0 -34.7 58.2 24.5 24.8 53 56 A M H 3X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.843 98.2 58.6 -63.1 -29.9 56.6 25.4 21.4 54 57 A S H 3X S+ 0 0 7 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.861 108.1 45.4 -66.5 -35.0 56.7 29.1 22.4 55 58 A K H S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.924 111.9 47.0 -62.0 -43.8 64.2 30.4 18.0 60 63 A L H ><5S+ 0 0 7 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.927 110.8 51.4 -64.7 -39.1 62.7 30.4 14.5 61 64 A K H 3<5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 105.8 56.5 -67.2 -30.0 61.8 34.1 14.7 62 65 A A T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.530 123.3-105.3 -75.9 -10.9 65.4 34.8 15.7 63 66 A G T < 5 + 0 0 11 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.523 68.0 152.2 100.4 7.2 66.7 33.1 12.6 64 67 A C < - 0 0 0 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.2 -0.282 50.7-120.9 -70.7 156.2 67.9 29.9 14.2 65 68 A E E -b 34 0A 86 -32,-2.5 -30,-2.8 47,-0.1 2,-0.5 -0.887 37.5-163.6 -90.1 119.8 68.1 26.6 12.5 66 69 A V E -bd 35 112A 1 45,-2.2 47,-2.8 -2,-0.6 2,-0.5 -0.941 12.8-168.8-115.5 124.6 65.9 24.3 14.7 67 70 A T E -bd 36 113A 8 -32,-2.7 -30,-2.2 -2,-0.5 2,-0.6 -0.941 7.3-157.7-107.4 130.5 65.9 20.5 14.7 68 71 A I E -bd 37 114A 0 45,-2.9 47,-2.5 -2,-0.5 2,-0.6 -0.947 10.3-153.3-104.4 120.6 63.1 18.7 16.5 69 72 A L E -bd 38 115A 8 -32,-2.4 -30,-2.7 -2,-0.6 2,-0.7 -0.878 1.2-153.1 -95.5 117.7 64.1 15.1 17.3 70 73 A F E -bd 39 116A 0 45,-3.0 47,-2.7 -2,-0.6 2,-2.3 -0.872 14.2-140.5 -92.5 115.7 61.2 12.7 17.6 71 74 A A > + 0 0 17 -32,-2.6 4,-2.0 -2,-0.7 -30,-0.4 -0.358 46.8 146.2 -73.7 61.3 62.3 9.9 20.1 72 75 A D H > + 0 0 1 -2,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.820 68.2 53.9 -73.7 -28.7 60.8 6.9 18.2 73 76 A L H > S+ 0 0 35 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.936 111.3 46.8 -67.4 -46.9 63.5 4.4 19.1 74 77 A H H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 109.8 54.3 -60.2 -41.2 63.0 5.3 22.8 75 78 A A H < S+ 0 0 2 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.949 109.6 47.2 -60.5 -42.7 59.2 5.0 22.4 76 79 A Y H >< S+ 0 0 103 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.933 109.6 53.0 -63.1 -48.0 59.5 1.5 20.9 77 80 A L H >< S+ 0 0 86 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.851 106.6 52.4 -62.3 -33.3 61.9 0.3 23.6 78 81 A D T 3< S+ 0 0 72 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.464 128.3 21.1 -81.1 1.4 59.6 1.4 26.4 79 82 A N T X + 0 0 49 -3,-1.4 3,-0.7 -4,-0.3 -1,-0.2 -0.212 67.6 165.4-158.7 68.8 56.7 -0.6 24.8 80 83 A M T < S+ 0 0 114 -3,-0.5 -3,-0.1 1,-0.3 4,-0.1 0.733 84.3 50.8 -62.8 -23.3 58.1 -3.3 22.5 81 84 A K T 3 S+ 0 0 194 -5,-0.1 -1,-0.3 -4,-0.1 3,-0.1 0.889 82.2 107.0 -80.4 -25.9 54.8 -5.0 22.3 82 85 A A S < S- 0 0 26 -3,-0.7 5,-0.2 -6,-0.2 -3,-0.1 -0.337 90.2-105.2 -54.2 101.1 53.3 -1.6 21.5 83 86 A P > - 0 0 80 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.319 24.0-111.4 -36.4 150.7 52.7 -2.4 17.8 84 87 A W H >> S+ 0 0 81 2,-0.2 3,-1.9 1,-0.2 4,-1.1 0.939 107.8 38.9 -45.5 -83.7 54.9 -1.0 15.1 85 88 A E H >> S+ 0 0 152 1,-0.3 4,-3.6 2,-0.2 3,-0.8 0.793 107.2 63.2 -37.7 -63.1 52.6 1.4 13.2 86 89 A L H 3> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.3 -1,-0.3 0.763 104.3 49.9 -38.8 -40.5 50.9 2.8 16.2 87 90 A L H S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-1.3 0.896 112.0 52.4 -71.0 -34.9 53.9 26.8 15.0 103 106 A E H <5S+ 0 0 71 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.918 110.3 49.3 -64.7 -36.5 51.7 27.9 12.0 104 107 A S H <5S+ 0 0 28 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.915 110.1 48.8 -69.7 -42.6 49.1 29.1 14.5 105 108 A I H <5S- 0 0 34 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.914 116.2-125.3 -58.9 -40.5 51.7 31.1 16.5 106 109 A G T <5 + 0 0 56 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.876 53.2 143.1 97.7 64.7 52.8 32.4 13.1 107 110 A V < - 0 0 21 -5,-1.3 2,-0.2 2,-0.0 -1,-0.2 -0.923 54.0 -97.0-128.3 155.7 56.5 31.8 12.5 108 111 A P - 0 0 70 0, 0.0 3,-0.3 0, 0.0 -45,-0.1 -0.483 28.2-166.6 -73.1 135.7 58.6 31.0 9.5 109 112 A L > + 0 0 42 -2,-0.2 3,-2.2 1,-0.2 -6,-0.0 0.402 56.6 105.7-106.6 5.2 59.3 27.3 9.1 110 113 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.2 -50,-0.0 -45,-0.0 0.817 88.2 42.1 -56.3 -33.2 62.0 27.2 6.4 111 114 A K T 3 S+ 0 0 85 -3,-0.3 -45,-2.2 -47,-0.1 2,-0.5 0.217 89.7 107.9-101.7 15.7 64.7 26.4 9.0 112 115 A L E < -d 66 0A 29 -3,-2.2 2,-0.4 -47,-0.2 -45,-0.2 -0.844 48.0-172.7 -91.7 129.0 62.7 23.9 11.0 113 116 A K E -d 67 0A 108 -47,-2.8 -45,-2.9 -2,-0.5 2,-0.5 -0.967 12.3-153.6-121.3 135.5 63.8 20.3 10.5 114 117 A F E +d 68 0A 57 -2,-0.4 2,-0.4 -47,-0.2 -45,-0.2 -0.948 19.1 175.8-104.3 128.9 62.1 17.1 11.8 115 118 A I E -d 69 0A 35 -47,-2.5 -45,-3.0 -2,-0.5 2,-0.4 -0.992 21.8-141.2-131.8 139.6 64.3 14.1 12.4 116 119 A K E > -d 70 0A 65 -2,-0.4 3,-1.9 -47,-0.2 4,-0.4 -0.832 20.8-127.4 -93.2 142.4 63.3 10.7 13.9 117 120 A G G >> S+ 0 0 0 -47,-2.7 4,-3.0 -2,-0.4 3,-2.1 0.896 109.3 60.4 -50.8 -42.9 65.8 9.0 16.3 118 121 A T G 34 S+ 0 0 52 -48,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.669 86.3 77.9 -66.6 -13.4 65.7 5.8 14.2 119 122 A D G <4 S- 0 0 101 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.790 124.8 -7.5 -61.3 -26.7 67.0 7.8 11.2 120 123 A Y T X4 S+ 0 0 30 -3,-2.1 3,-1.8 -4,-0.4 6,-0.3 0.455 108.2 91.8-145.5 -16.1 70.5 7.6 12.7 121 124 A Q T 3< S+ 0 0 24 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.569 96.3 46.4 -73.8 -2.6 70.6 6.1 16.3 122 125 A L T 3 S+ 0 0 122 -4,-0.3 -1,-0.3 -5,-0.2 -4,-0.1 0.321 87.0 120.0-109.5 3.5 71.2 2.6 14.8 123 126 A S S <> S- 0 0 47 -3,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.283 73.9-117.4 -69.1 153.3 73.9 3.8 12.3 124 127 A K H > S+ 0 0 174 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 111.5 48.6 -62.3 -41.0 77.4 2.2 12.7 125 128 A E H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 114.0 46.2 -66.9 -43.4 79.2 5.5 13.5 126 129 A Y H > S+ 0 0 3 -6,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.932 112.7 49.9 -64.2 -43.7 76.7 6.5 16.1 127 130 A T H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.907 108.5 52.7 -61.5 -42.0 76.7 3.0 17.7 128 131 A L H X S+ 0 0 74 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.922 109.1 50.2 -60.0 -41.1 80.6 3.0 17.8 129 132 A D H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.888 106.1 55.2 -66.2 -31.6 80.4 6.3 19.6 130 133 A V H X S+ 0 0 31 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.940 109.7 47.4 -62.6 -44.1 77.9 4.8 22.1 131 134 A Y H X S+ 0 0 149 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.899 110.7 51.8 -62.9 -38.8 80.4 2.0 22.8 132 135 A R H >< S+ 0 0 113 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.945 109.8 49.4 -61.3 -44.9 83.2 4.6 23.2 133 136 A L H >X S+ 0 0 5 -4,-2.7 4,-3.3 1,-0.2 3,-2.0 0.925 105.7 56.3 -59.9 -43.1 81.0 6.4 25.7 134 137 A S H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 103.4 56.8 -62.9 -20.7 80.3 3.2 27.6 135 138 A S T << S+ 0 0 101 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.474 119.7 28.1 -90.6 -3.3 84.1 2.8 28.0 136 139 A V T <4 S+ 0 0 65 -3,-2.0 2,-0.5 -4,-0.3 -2,-0.2 0.515 99.5 91.3-125.6 -24.0 84.5 6.2 29.7 137 140 A V S < S- 0 0 22 -4,-3.3 2,-0.2 -5,-0.2 -1,-0.0 -0.513 70.5-139.9 -75.1 117.6 81.1 6.8 31.4 138 141 A T > - 0 0 68 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.417 17.9-121.6 -67.8 146.2 81.1 5.5 34.9 139 142 A Q H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.878 112.4 57.4 -53.4 -32.5 77.9 3.7 36.0 140 143 A H H > S+ 0 0 119 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.969 103.9 48.9 -61.7 -55.1 77.6 6.3 38.8 141 144 A D H > S+ 0 0 33 1,-0.2 4,-4.0 2,-0.2 5,-0.4 0.887 108.9 55.1 -59.8 -40.4 77.6 9.4 36.6 142 145 A S H X S+ 0 0 8 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.949 113.9 38.2 -63.4 -41.0 75.0 7.8 34.4 143 146 A K H < S+ 0 0 128 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 120.3 47.6 -68.8 -38.1 72.7 7.2 37.4 144 147 A K H >< S+ 0 0 122 -4,-3.5 3,-2.5 2,-0.2 4,-0.2 0.959 114.1 47.3 -60.2 -52.3 73.6 10.6 38.9 145 148 A A H 3< S+ 0 0 7 -4,-4.0 3,-0.4 1,-0.3 -1,-0.2 0.869 117.9 42.1 -57.0 -34.8 73.2 12.2 35.6 146 149 A G T 3X S+ 0 0 8 -4,-1.6 4,-1.0 -5,-0.4 -1,-0.3 0.449 74.5 129.2 -98.4 16.4 69.9 10.5 35.2 147 150 A A T <4 S+ 0 0 41 -3,-2.5 -1,-0.2 2,-0.1 2,-0.2 0.748 84.9 12.8 -46.8 -34.1 68.8 11.1 38.8 148 151 A E T 4 S+ 0 0 77 -3,-0.4 2,-3.6 -4,-0.2 37,-0.0 -0.434 112.9 55.8-114.3-152.1 65.5 12.4 37.5 149 152 A V T 4 S+ 0 0 45 -2,-0.2 2,-0.6 1,-0.0 -2,-0.1 -0.074 87.4 90.8 70.5 -51.4 64.1 12.2 34.0 150 153 A V S < S- 0 0 35 -2,-3.6 -1,-0.0 -4,-1.0 10,-0.0 -0.788 90.7-113.4 -83.8 121.0 64.4 8.4 33.9 151 154 A K - 0 0 124 -2,-0.6 2,-0.8 1,-0.1 -1,-0.1 -0.142 36.4-120.1 -47.1 137.2 61.2 6.8 35.1 152 155 A Q + 0 0 168 4,-0.1 2,-0.2 -3,-0.0 -1,-0.1 -0.764 36.1 179.1-101.0 108.9 62.0 5.1 38.4 153 156 A V - 0 0 90 -2,-0.8 -3,-0.0 1,-0.1 0, 0.0 -0.548 35.3-127.7 -99.6 164.6 61.5 1.3 38.6 154 157 A E S S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.931 111.9 32.6 -75.1 -45.8 62.1 -1.1 41.4 155 158 A H S S- 0 0 80 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.763 98.6-153.4-109.5 80.0 64.1 -3.5 39.3 156 159 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.274 5.5-125.5 -67.5 144.0 65.7 -0.9 37.1 157 160 A L >> - 0 0 118 1,-0.1 3,-0.8 0, 0.0 4,-0.6 -0.289 15.8-120.5 -82.0 158.3 66.8 -1.7 33.5 158 161 A L H >> S+ 0 0 146 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.892 108.4 73.9 -63.0 -32.9 70.1 -1.2 31.7 159 162 A S H >> S+ 0 0 61 1,-0.3 4,-1.3 2,-0.2 3,-1.2 0.768 88.1 61.7 -48.2 -39.9 68.2 1.0 29.3 160 163 A G H <4 S+ 0 0 16 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.801 101.3 50.3 -59.8 -39.4 68.1 3.7 31.9 161 164 A L H << S+ 0 0 58 -3,-1.3 4,-0.4 -4,-0.6 -1,-0.3 0.654 107.9 54.4 -76.5 -15.0 71.8 4.1 32.2 162 165 A L H XX S+ 0 0 83 -3,-1.2 4,-1.9 -4,-0.6 3,-0.5 0.785 88.5 79.2 -83.9 -32.5 72.1 4.4 28.4 163 166 A Y H 3X S+ 0 0 59 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.772 88.8 51.6 -44.2 -53.5 69.7 7.3 28.0 164 167 A P H 3> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.910 112.4 44.8 -59.8 -45.7 72.0 10.2 29.1 165 168 A G H <> S+ 0 0 10 -3,-0.5 4,-2.5 -4,-0.4 -2,-0.2 0.851 111.3 53.1 -69.7 -35.2 74.9 9.3 26.7 166 169 A L H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.925 110.1 48.8 -59.6 -44.2 72.5 8.7 23.8 167 170 A Q H X S+ 0 0 15 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.899 111.1 51.0 -62.3 -36.6 71.0 12.3 24.4 168 171 A A H >X S+ 0 0 1 -4,-2.0 3,-1.0 -5,-0.2 4,-0.9 0.955 109.3 49.4 -65.6 -49.0 74.6 13.7 24.5 169 172 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.827 98.6 67.8 -64.1 -29.1 75.5 12.0 21.3 170 173 A D H 3X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.869 93.9 59.9 -56.4 -33.2 72.4 13.4 19.6 171 174 A E H <<>S+ 0 0 1 -3,-1.0 5,-1.8 -4,-0.9 4,-0.2 0.937 111.5 38.7 -59.4 -43.2 74.0 16.9 20.0 172 175 A E H ><5S+ 0 0 49 -4,-0.9 3,-1.0 -3,-0.3 -2,-0.2 0.920 116.6 48.5 -73.6 -42.7 76.9 15.9 17.9 173 176 A Y H 3<5S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.824 110.5 50.9 -75.1 -25.9 75.1 13.8 15.3 174 177 A L T 3<5S- 0 0 19 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.512 107.3-132.8 -82.3 -4.8 72.4 16.5 14.8 175 178 A K T < 5 + 0 0 160 -3,-1.0 2,-0.2 -4,-0.2 -3,-0.2 0.885 51.6 150.4 57.1 50.0 75.3 18.9 14.2 176 179 A V < - 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