==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINOACYL-TRNA SYNTHASE 09-MAY-97 1KMN . COMPND 2 MOLECULE: HISTIDYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.ARNEZ,C.S.FRANCKLYN,D.MORAS . 1498 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1151 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 125 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 467 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 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 4 8 4 0 2 0 4 8 4 0 0 4 0 5 4 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 8 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 . 4 0 5 7 12 4 4 0 0 4 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 4 0 4 0 0 4 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 N 0 0 122 0, 0.0 2,-0.2 0, 0.0 617,-0.1 0.000 360.0 360.0 360.0 137.9 8.0 -7.5 21.2 2 5 A I - 0 0 15 615,-0.5 2,-0.2 425,-0.1 471,-0.1 -0.621 360.0-153.5 -91.2 154.0 6.2 -4.5 19.7 3 6 A Q - 0 0 115 -2,-0.2 2,-0.5 470,-0.0 424,-0.5 -0.591 30.7 -82.5-117.9 178.0 5.5 -1.2 21.4 4 7 A A - 0 0 12 -2,-0.2 4,-0.2 422,-0.1 3,-0.1 -0.776 52.5 -97.1 -92.7 127.1 2.9 1.5 21.0 5 8 A I > - 0 0 0 -2,-0.5 3,-1.1 420,-0.3 115,-0.2 -0.125 56.7 -99.3 -36.5 105.5 3.2 4.0 18.3 6 9 A R T 3 S+ 0 0 107 1,-0.3 -1,-0.1 114,-0.1 3,-0.1 -0.052 111.2 26.3 -35.1 133.0 4.9 6.9 20.2 7 10 A G T 3 S+ 0 0 12 -3,-0.1 113,-2.7 113,-0.1 114,-2.0 0.590 101.0 94.0 82.5 12.4 2.2 9.4 21.0 8 11 A M < - 0 0 0 -3,-1.1 2,-0.1 112,-0.2 114,-0.1 -0.817 61.8-172.2-137.7 92.6 -0.7 6.9 21.0 9 12 A N - 0 0 77 112,-0.4 2,-0.3 -2,-0.3 -4,-0.0 -0.432 20.8-125.3 -89.2 164.5 -1.2 5.6 24.6 10 13 A D - 0 0 8 -2,-0.1 2,-0.6 412,-0.1 412,-0.2 -0.733 14.3-139.6-101.9 151.0 -3.2 2.9 26.4 11 14 A Y B -A 421 0A 19 410,-2.5 410,-2.2 -2,-0.3 3,-0.0 -0.959 27.2-147.3-113.0 109.6 -5.6 3.6 29.3 12 15 A L >> - 0 0 51 -2,-0.6 4,-2.3 408,-0.2 3,-2.2 -0.455 29.6 -90.6 -79.7 158.3 -5.1 0.8 31.8 13 16 A P H >> S+ 0 0 20 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.811 124.9 46.8 -28.2 -70.8 -7.8 -0.7 34.1 14 17 A G H 3> S+ 0 0 65 1,-0.3 4,-0.6 2,-0.2 406,-0.1 0.722 116.1 44.0 -49.3 -30.2 -7.2 1.7 37.0 15 18 A E H <> S+ 0 0 61 -3,-2.2 4,-1.6 2,-0.2 3,-0.3 0.860 105.0 63.9 -83.0 -37.5 -7.1 4.8 34.8 16 19 A T H XX S+ 0 0 3 -4,-2.3 4,-2.8 -3,-0.5 3,-0.7 0.919 93.9 61.1 -50.1 -52.2 -10.2 3.7 32.8 17 20 A A H 3X S+ 0 0 13 -4,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.855 107.5 44.8 -44.8 -51.0 -12.5 3.9 36.0 18 21 A I H 3X S+ 0 0 22 -4,-0.6 4,-2.1 -3,-0.3 -1,-0.3 0.831 110.4 54.2 -66.8 -34.6 -11.8 7.5 36.3 19 22 A W H X S+ 0 0 59 -4,-2.8 4,-2.3 2,-0.2 3,-0.9 0.973 110.0 56.5 -62.8 -51.4 -22.7 13.0 28.7 28 31 A N H 3X S+ 0 0 87 -4,-3.5 4,-2.7 1,-0.3 3,-0.2 0.911 106.3 50.3 -44.5 -51.9 -25.4 13.4 31.4 29 32 A V H 3< S+ 0 0 2 -4,-2.4 -1,-0.3 -5,-0.3 4,-0.3 0.853 107.2 53.7 -60.5 -32.0 -25.0 17.2 31.1 30 33 A L H X<>S+ 0 0 0 -4,-1.4 5,-1.8 -3,-0.9 3,-1.0 0.892 108.1 51.0 -71.4 -32.9 -25.4 17.0 27.4 31 34 A G H ><5S+ 0 0 17 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.954 98.3 64.7 -65.5 -46.2 -28.6 15.1 28.0 32 35 A S T 3<5S+ 0 0 15 -4,-2.7 650,-1.1 1,-0.3 -1,-0.2 0.608 106.3 48.2 -53.6 -9.0 -29.9 17.8 30.4 33 36 A Y T < 5S- 0 0 1 -3,-1.0 651,-0.3 -4,-0.3 -1,-0.3 0.592 118.2-103.4-108.8 -13.2 -29.8 20.1 27.4 34 37 A G T < 5 + 0 0 3 -3,-2.1 2,-0.3 -4,-0.5 67,-0.2 0.461 67.6 151.2 102.5 6.5 -31.6 18.1 24.7 35 38 A Y < - 0 0 12 -5,-1.8 2,-0.4 -6,-0.2 -1,-0.3 -0.521 31.3-150.4 -79.5 136.3 -28.4 17.1 22.8 36 39 A S E -b 102 0B 16 65,-2.6 67,-1.6 -2,-0.3 360,-0.1 -0.792 16.2-116.4-109.7 140.5 -28.2 14.0 20.9 37 40 A E E -b 103 0B 4 -2,-0.4 2,-0.3 65,-0.2 361,-0.2 -0.379 25.8-166.8 -67.6 151.2 -25.2 11.8 20.1 38 41 A I - 0 0 6 65,-1.7 2,-0.5 360,-0.1 67,-0.3 -0.976 9.5-148.0-139.7 127.7 -24.1 11.4 16.5 39 42 A R B -I 393 0C 37 354,-2.8 354,-3.2 -2,-0.3 65,-0.1 -0.959 17.5-174.5-108.7 120.9 -21.5 8.7 15.5 40 43 A L - 0 0 20 -2,-0.5 352,-0.1 352,-0.2 45,-0.1 -0.871 30.7 -95.9-115.7 147.2 -19.2 9.4 12.6 41 44 A P - 0 0 1 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.187 28.0-128.0 -56.7 141.9 -16.5 7.2 10.7 42 45 A I S S+ 0 0 3 35,-0.1 36,-2.2 66,-0.0 2,-0.4 0.798 90.4 41.6 -68.0 -30.7 -12.9 7.4 11.9 43 46 A V E +J 77 0D 0 34,-0.2 344,-0.3 344,-0.1 2,-0.3 -0.911 65.0 178.0-120.8 154.2 -11.5 8.1 8.4 44 47 A E E -J 76 0D 1 32,-1.7 32,-2.6 -2,-0.4 2,-0.3 -0.845 43.2 -73.3-141.2 171.7 -12.8 10.2 5.6 45 48 A Q E >> -J 75 0D 49 340,-0.4 3,-1.8 -2,-0.3 4,-0.6 -0.547 45.1-125.1 -71.9 139.0 -11.7 11.1 2.1 46 49 A T H 3> S+ 0 0 2 28,-2.8 4,-1.8 1,-0.3 5,-0.2 0.818 103.2 68.1 -59.5 -32.0 -8.8 13.5 2.2 47 50 A P H 3> S+ 0 0 60 0, 0.0 4,-3.3 0, 0.0 -1,-0.3 0.825 92.2 65.2 -60.9 -23.5 -10.4 16.2 0.1 48 51 A L H <> S+ 0 0 0 -3,-1.8 4,-3.9 1,-0.2 5,-0.3 0.984 104.6 40.3 -59.6 -60.2 -12.8 16.8 2.9 49 52 A F H X>S+ 0 0 0 -4,-0.6 4,-1.2 2,-0.2 5,-0.9 0.843 115.5 54.2 -59.1 -31.6 -10.3 18.0 5.4 50 53 A K H X5S+ 0 0 79 -4,-1.8 4,-1.9 3,-0.2 -2,-0.2 0.996 117.1 34.9 -65.5 -57.5 -8.6 19.9 2.7 51 54 A R H <5S+ 0 0 87 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.948 126.8 38.8 -61.2 -50.7 -11.7 21.7 1.7 52 55 A A H <5S+ 0 0 0 -4,-3.9 -3,-0.2 -5,-0.3 -2,-0.2 0.987 124.5 34.3 -64.0 -64.9 -13.3 22.0 5.2 53 56 A I H <5S- 0 0 1 -4,-1.2 165,-2.5 -5,-0.3 -3,-0.2 0.826 114.2-102.8 -64.0 -40.7 -10.2 22.8 7.3 54 57 A G ><< - 0 0 5 -4,-1.9 3,-0.6 -5,-0.9 6,-0.4 0.049 8.5-116.9 119.1 134.6 -8.1 24.8 4.8 55 58 A E T 3 S+ 0 0 121 1,-0.2 6,-0.3 -4,-0.1 -1,-0.1 0.905 112.5 48.7 -64.3 -46.1 -5.2 24.3 2.6 56 59 A V T 3 S+ 0 0 99 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.533 87.8 122.3 -71.2 -12.0 -2.8 26.8 4.2 57 60 A T <> - 0 0 8 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 -0.321 67.7-137.8 -59.0 134.7 -3.7 25.3 7.5 58 61 A D H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.4 0.842 105.5 58.6 -62.3 -25.1 -0.8 23.9 9.6 59 62 A V H >>S+ 0 0 10 157,-0.3 4,-2.0 2,-0.2 5,-1.3 0.952 110.4 39.1 -65.0 -55.4 -3.2 20.9 10.3 60 63 A V H >5S+ 0 0 9 -6,-0.4 4,-0.6 3,-0.2 -2,-0.2 0.984 117.2 51.3 -58.0 -59.4 -3.7 20.0 6.7 61 64 A E H <5S- 0 0 104 -4,-2.3 -2,-0.2 -6,-0.3 -3,-0.2 0.928 133.0 -2.0 -46.6 -66.7 -0.0 20.6 5.7 62 65 A K H <5S+ 0 0 74 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 0.365 123.7 57.6-120.1 13.3 1.8 18.6 8.3 63 66 A E H <5S+ 0 0 15 -4,-2.0 48,-1.7 -5,-0.4 -3,-0.2 0.683 72.6 104.1-113.0 -21.5 -0.5 17.0 10.8 64 67 A M << - 0 0 1 -5,-1.3 2,-0.8 -4,-0.6 46,-0.1 -0.229 60.7-141.9 -64.8 142.7 -2.9 14.8 8.8 65 68 A Y E +K 77 0D 4 12,-0.8 12,-1.8 44,-0.3 -1,-0.1 -0.626 41.5 165.2-102.0 69.4 -2.4 10.9 8.7 66 69 A T E +K 76 0D 50 -2,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.241 3.6 148.6 -78.2 169.7 -3.3 10.5 5.0 67 70 A F E -K 75 0D 22 8,-1.7 8,-2.1 382,-0.1 2,-0.4 -0.951 40.3 -83.5-178.4-170.9 -2.7 7.4 2.9 68 71 A E E -K 74 0D 77 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.960 25.4-137.2-127.3 133.6 -4.1 5.4 0.0 69 72 A D > - 0 0 10 4,-2.9 3,-2.8 -2,-0.4 2,-0.2 -0.380 40.7 -96.9 -79.9 162.4 -6.7 2.8 -0.3 70 73 A R T 3 S+ 0 0 75 1,-0.3 1140,-0.6 2,-0.1 -1,-0.1 0.275 125.9 51.1 -61.6 13.1 -6.3 -0.3 -2.4 71 74 A N T 3 S- 0 0 43 2,-0.2 -1,-0.3 -2,-0.2 3,-0.1 0.113 123.2 -97.3-135.2 10.5 -8.2 1.6 -5.1 72 75 A G S < S+ 0 0 22 -3,-2.8 2,-0.3 1,-0.3 -2,-0.1 0.522 74.6 142.7 85.0 4.7 -6.3 4.8 -5.2 73 76 A D - 0 0 58 -4,-0.1 -4,-2.9 1135,-0.1 2,-0.8 -0.620 52.8-125.8 -81.3 137.7 -8.5 6.8 -3.0 74 77 A S E - K 0 68D 48 -2,-0.3 -28,-2.8 -6,-0.2 2,-0.3 -0.774 35.2-173.2 -85.8 114.8 -6.8 9.3 -0.7 75 78 A L E -JK 45 67D 2 -8,-2.1 -8,-1.7 -2,-0.8 2,-0.3 -0.774 8.3-160.6-107.2 156.5 -8.0 8.5 2.8 76 79 A T E -JK 44 66D 0 -32,-2.6 -32,-1.7 -2,-0.3 2,-0.6 -0.941 22.7-130.2-148.6 118.9 -7.3 10.3 6.1 77 80 A L E -JK 43 65D 0 -12,-1.8 -12,-0.8 -2,-0.3 -34,-0.2 -0.529 55.1-101.6 -61.6 113.6 -7.5 9.4 9.8 78 81 A R - 0 0 24 -36,-2.2 31,-4.0 -2,-0.6 -1,-0.1 0.063 31.6-167.6 -43.0 136.6 -9.6 12.4 11.0 79 82 A P S S+ 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.640 77.5 2.1 -99.7 -21.4 -7.9 15.3 12.8 80 83 A E - 0 0 2 27,-0.1 4,-0.2 1,-0.0 29,-0.1 -0.829 65.3-127.5-145.3-166.7 -11.2 16.8 14.1 81 84 A G S > S+ 0 0 3 -2,-0.2 4,-3.1 1422,-0.1 5,-0.1 0.677 84.1 82.0-127.9 -24.8 -14.9 16.0 13.9 82 85 A T H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.876 96.7 48.0 -50.1 -46.9 -16.7 19.0 12.6 83 86 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 112.2 47.1 -62.5 -48.0 -16.0 18.1 9.0 84 87 A G H > S+ 0 0 7 2,-0.2 4,-2.1 -4,-0.2 5,-0.3 0.918 115.5 50.7 -59.9 -39.5 -17.0 14.5 9.4 85 88 A C H >X S+ 0 0 3 -4,-3.1 4,-2.9 2,-0.2 3,-0.9 0.993 110.5 43.0 -62.2 -71.6 -20.0 15.9 11.1 86 89 A V H 3X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.3 5,-0.2 0.806 112.2 59.5 -43.8 -35.5 -21.1 18.5 8.5 87 90 A R H 3X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.3 0.936 111.4 35.4 -61.0 -53.2 -20.4 15.9 5.8 88 91 A A H S+ 0 0 9 -4,-2.9 5,-2.7 -5,-0.3 6,-0.9 0.915 113.9 33.4 -56.7 -41.6 -25.2 16.1 8.2 90 93 A I H ><5S+ 0 0 36 -4,-2.1 3,-2.4 -5,-0.3 -2,-0.2 0.946 112.4 63.7 -78.3 -43.5 -25.5 16.9 4.5 91 94 A E H 3<5S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.727 116.5 28.6 -50.8 -32.9 -25.2 13.3 3.3 92 95 A H T 3<5S- 0 0 86 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.123 110.7-115.6-115.4 11.9 -28.4 12.3 5.1 93 96 A G T < 5 + 0 0 41 -3,-2.4 -3,-0.2 -5,-0.1 -4,-0.1 0.902 68.6 136.9 53.5 56.7 -30.2 15.6 4.9 94 97 A L S S+ 0 0 9 -6,-0.9 3,-1.6 -9,-0.1 2,-0.5 0.697 75.6 107.4-108.9 -20.1 -29.5 20.0 8.2 96 99 A Y T 3 S- 0 0 118 1,-0.3 3,-0.1 -7,-0.3 160,-0.1 -0.456 110.9 -22.3 -66.0 113.9 -31.6 21.3 5.4 97 100 A N T 3 S+ 0 0 136 -2,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.831 119.6 113.9 54.4 36.3 -34.2 23.6 7.0 98 101 A Q < - 0 0 78 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 -0.922 61.9-136.7-136.6 157.2 -33.6 21.7 10.3 99 102 A E + 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 32,-0.2 -0.826 27.8 174.4-107.6 143.9 -32.2 22.4 13.8 100 103 A Q E - C 0 130B 24 30,-1.5 30,-2.2 -2,-0.3 2,-0.5 -0.933 16.5-168.1-154.0 130.4 -30.0 19.7 15.2 101 104 A R E + C 0 129B 1 -2,-0.3 -65,-2.6 28,-0.2 2,-0.3 -0.964 29.2 157.0-125.3 111.3 -28.1 19.8 18.4 102 105 A L E -bC 36 128B 7 26,-2.9 26,-1.7 -2,-0.5 2,-0.3 -0.823 27.3-163.3-133.9 167.0 -25.6 17.0 18.6 103 106 A W E -bC 37 127B 9 -67,-1.6 -65,-1.7 24,-0.3 2,-0.3 -0.935 7.7-164.6-143.2 158.2 -22.4 15.8 20.2 104 107 A Y E - C 0 126B 10 22,-2.5 22,-2.2 -2,-0.3 2,-0.3 -0.946 3.1-157.9-143.7 161.6 -19.9 13.0 19.4 105 108 A I E + C 0 125B 47 -2,-0.3 20,-0.2 -67,-0.3 18,-0.0 -0.981 37.9 84.5-147.5 130.3 -17.1 11.3 21.2 106 109 A G E - C 0 124B 12 18,-2.0 18,-2.2 -2,-0.3 2,-0.1 -0.986 66.4 -37.8 167.3-170.0 -14.0 9.4 20.0 107 110 A P E - C 0 123B 12 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.312 36.8-167.1 -86.5 159.3 -10.4 9.6 18.7 108 111 A M E - C 0 122B 1 14,-2.4 14,-2.3 -29,-0.1 2,-0.4 -0.973 13.6-139.2-135.2 151.2 -8.7 12.1 16.4 109 112 A F E + C 0 121B 0 -31,-4.0 2,-0.3 -2,-0.3 -44,-0.3 -0.953 25.8 161.6-120.5 126.1 -5.4 11.8 14.7 110 113 A R - 0 0 45 10,-2.0 2,-1.0 -2,-0.4 -46,-0.2 -0.986 36.3-131.8-139.0 141.2 -2.7 14.5 14.3 111 114 A H + 0 0 19 -48,-1.7 2,-0.2 -2,-0.3 9,-0.1 -0.864 57.0 133.3 -96.5 96.9 1.0 14.2 13.5 112 115 A E - 0 0 17 -2,-1.0 -2,-0.1 -49,-0.1 8,-0.0 -0.823 64.9 -74.8-135.0 173.5 2.5 16.5 16.2 113 116 A R - 0 0 143 -2,-0.2 5,-0.2 1,-0.1 -106,-0.0 -0.641 54.7-113.4 -77.5 118.0 5.4 16.4 18.7 114 117 A P + 0 0 65 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.205 56.8 147.8 -51.7 128.1 4.4 14.2 21.6 115 118 A Q - 0 0 111 3,-2.3 120,-0.0 1,-0.1 -108,-0.0 -0.691 62.4 -83.4-142.1-163.1 4.1 16.4 24.7 116 119 A K S S+ 0 0 138 -2,-0.2 119,-0.1 118,-0.1 -1,-0.1 0.902 130.1 29.6 -78.2 -48.9 2.1 16.6 27.9 117 120 A G S S+ 0 0 3 117,-0.1 2,-0.2 118,-0.1 118,-0.2 0.960 118.5 63.6 -75.7 -47.9 -0.8 18.3 26.2 118 121 A R + 0 0 83 -5,-0.2 -3,-2.3 116,-0.1 2,-0.3 -0.512 52.8 171.8 -85.6 148.3 -0.4 16.7 22.8 119 122 A Y - 0 0 34 -2,-0.2 3,-0.2 -5,-0.2 -111,-0.2 -0.890 39.5-124.4-142.7 159.4 -0.7 13.1 21.7 120 123 A R S S+ 0 0 31 -113,-2.7 -10,-2.0 1,-0.3 2,-0.5 0.782 110.5 34.0 -77.3 -33.6 -0.6 11.6 18.2 121 124 A Q E S+C 109 0B 5 -114,-2.0 -112,-0.4 -12,-0.2 -1,-0.3 -0.961 85.4 168.9-120.5 108.1 -4.0 9.9 19.0 122 125 A F E -C 108 0B 23 -14,-2.3 -14,-2.4 -2,-0.5 2,-0.5 -0.759 28.6-120.7-119.7 164.6 -6.1 12.1 21.2 123 126 A H E -C 107 0B 37 -2,-0.3 142,-1.9 -16,-0.2 143,-0.5 -0.937 23.9-172.2-112.6 134.6 -9.7 12.0 22.4 124 127 A Q E -CD 106 264B 12 -18,-2.2 -18,-2.0 -2,-0.5 2,-0.5 -0.879 17.9-166.2-123.0 142.7 -12.3 14.6 21.9 125 128 A L E +CD 105 263B 1 138,-1.6 138,-2.5 -2,-0.3 2,-0.3 -0.978 34.5 160.0-116.9 129.0 -15.9 15.2 23.1 126 129 A G E -CD 104 262B 0 -22,-2.2 -22,-2.5 -2,-0.5 2,-0.4 -0.983 24.8-154.9-149.0 159.6 -17.3 17.9 21.0 127 130 A C E -CD 103 261B 0 134,-2.5 134,-1.6 -2,-0.3 2,-0.3 -0.999 4.8-169.7-142.4 145.7 -20.7 19.2 20.0 128 131 A E E -CD 102 260B 0 -26,-1.7 -26,-2.9 -2,-0.4 2,-0.4 -0.946 4.6-162.8-128.5 154.8 -22.2 21.0 17.1 129 132 A V E -CD 101 259B 0 130,-2.1 130,-1.3 -2,-0.3 2,-0.4 -0.995 10.8-160.4-140.5 124.1 -25.6 22.6 16.6 130 133 A F E +CD 100 258B 0 -30,-2.2 -30,-1.5 -2,-0.4 128,-0.2 -0.858 62.6 34.0-109.9 147.0 -26.9 23.5 13.2 131 134 A G S S+ 0 0 28 126,-2.9 2,-0.6 -2,-0.4 127,-0.2 0.155 81.1 107.8 105.3 -15.2 -29.6 26.0 12.3 132 135 A L + 0 0 8 125,-0.2 -1,-0.2 -3,-0.2 -3,-0.1 -0.857 35.0 175.7-107.9 121.5 -29.4 28.7 14.9 133 136 A Q + 0 0 122 -2,-0.6 -1,-0.2 124,-0.1 5,-0.1 0.976 48.8 79.9 -79.9 -76.6 -28.0 32.1 13.9 134 137 A G S >> S- 0 0 23 1,-0.1 3,-0.9 3,-0.1 4,-0.5 0.224 87.2-105.8 -35.7 158.6 -28.2 34.5 16.8 135 138 A P H >> S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 3,-0.5 0.711 105.0 84.8 -59.1 -29.4 -25.8 34.7 19.7 136 139 A D H 3> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.910 91.0 47.3 -44.4 -50.1 -28.4 33.1 22.0 137 140 A I H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -1,-0.3 0.866 108.7 54.3 -65.7 -31.1 -27.3 29.6 20.9 138 141 A D H X>S+ 0 0 5 -4,-1.7 5,-1.7 1,-0.2 4,-1.4 0.958 110.7 53.6 -62.1 -47.8 -16.7 22.7 35.1 150 153 A R H ><5S+ 0 0 125 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.908 110.3 48.9 -52.2 -40.7 -19.2 23.2 38.0 151 154 A A H 3<5S+ 0 0 40 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.714 114.5 42.5 -73.8 -26.6 -19.9 19.5 37.9 152 155 A L H <<5S- 0 0 2 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.447 109.4-122.0 -96.3 -8.2 -16.3 18.4 37.9 153 156 A G T <<5S+ 0 0 33 -4,-1.4 3,-0.2 -3,-0.5 -3,-0.2 0.699 87.1 108.5 75.0 19.7 -15.4 21.0 40.5 154 157 A I > < + 0 0 0 -5,-1.7 3,-1.8 -6,-0.2 -4,-0.2 0.069 36.2 111.5-113.4 23.6 -12.8 22.5 38.2 155 158 A S G > S+ 0 0 62 -6,-0.7 3,-0.6 1,-0.3 -1,-0.1 0.897 73.2 60.8 -62.4 -37.7 -14.9 25.6 37.7 156 159 A E G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.381 103.8 54.1 -70.5 4.6 -12.3 27.5 39.7 157 160 A H G < S+ 0 0 74 -3,-1.8 2,-0.3 72,-0.1 -1,-0.2 -0.264 91.1 67.2-141.1 54.0 -9.7 26.6 37.0 158 161 A V < - 0 0 16 -3,-0.6 2,-0.3 71,-0.1 71,-0.2 -0.901 56.1-158.7-166.2 141.1 -10.8 27.6 33.5 159 162 A T E -E 228 0B 53 69,-1.5 69,-2.4 -2,-0.3 2,-0.7 -0.965 18.6-124.1-127.6 150.4 -11.3 31.0 32.0 160 163 A L E -Ef 227 207B 0 46,-0.9 48,-1.7 -2,-0.3 2,-0.5 -0.822 21.7-172.1-100.1 115.2 -13.3 32.0 29.0 161 164 A E E -Ef 226 208B 42 65,-3.4 65,-2.4 -2,-0.7 2,-0.3 -0.886 16.8-171.5-100.4 142.3 -11.4 33.8 26.3 162 165 A L E +Ef 225 209B 0 46,-3.2 48,-1.5 -2,-0.5 2,-0.3 -0.984 14.3 155.5-139.0 150.1 -13.7 35.2 23.7 163 166 A N E -E 224 0B 16 61,-3.3 61,-2.6 -2,-0.3 2,-0.4 -0.992 28.9-136.7-169.1 156.2 -13.6 36.8 20.3 164 167 A S E -E 223 0B 10 -2,-0.3 59,-0.2 59,-0.2 58,-0.2 -0.992 6.7-170.0-120.8 127.9 -15.4 37.5 17.0 165 168 A I - 0 0 24 57,-2.0 57,-0.2 56,-0.6 6,-0.1 -0.011 31.8-143.8-106.8 31.4 -13.6 37.2 13.7 166 169 A G - 0 0 0 23,-0.1 -1,-0.3 56,-0.1 2,-0.2 -0.070 35.0 -53.7 47.8-141.5 -16.3 38.8 11.6 167 170 A S > - 0 0 26 1,-0.1 4,-1.9 55,-0.0 5,-0.1 -0.524 55.9 -83.2-119.7-167.1 -17.0 37.5 8.1 168 171 A L H > S+ 0 0 118 2,-0.2 4,-3.7 1,-0.2 3,-0.1 0.977 123.5 52.1 -63.1 -57.0 -15.2 36.8 4.8 169 172 A E H > S+ 0 0 133 1,-0.3 4,-2.7 2,-0.3 -1,-0.2 0.872 111.4 45.8 -47.7 -50.0 -15.5 40.4 3.6 170 173 A A H 4 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.903 117.4 44.0 -64.7 -38.8 -14.0 41.9 6.8 171 174 A R H >< S+ 0 0 78 -4,-1.9 3,-0.8 -6,-0.1 4,-0.4 0.866 114.9 52.0 -72.7 -28.7 -11.3 39.3 6.7 172 175 A A H >< S+ 0 0 53 -4,-3.7 2,-2.4 1,-0.3 3,-2.2 1.000 111.8 42.6 -66.1 -71.5 -10.9 40.0 2.9 173 176 A N T 3< S+ 0 0 85 -4,-2.7 -1,-0.3 1,-0.3 4,-0.2 -0.120 104.4 71.5 -71.3 45.9 -10.5 43.7 3.2 174 177 A Y T <> S+ 0 0 110 -2,-2.4 4,-1.9 -3,-0.8 -1,-0.3 0.436 73.9 78.4-129.0 -18.8 -8.2 43.1 6.2 175 178 A R H <>>S+ 0 0 142 -3,-2.2 4,-1.6 -4,-0.4 5,-0.8 0.904 96.2 51.5 -56.6 -44.8 -5.3 41.7 4.1 176 179 A D H >>S+ 0 0 68 -4,-0.4 4,-2.0 1,-0.2 5,-0.7 0.992 109.8 46.3 -55.7 -61.8 -4.5 45.3 3.3 177 180 A A H 45S+ 0 0 62 -4,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.689 125.0 32.3 -56.3 -26.5 -4.6 46.5 7.0 178 181 A L H X5S+ 0 0 94 -4,-1.9 4,-1.5 3,-0.1 -2,-0.2 0.898 124.0 36.4 -93.2 -69.9 -2.4 43.6 8.1 179 182 A V H <5S+ 0 0 93 -4,-1.6 -3,-0.2 2,-0.3 -2,-0.2 0.797 115.3 54.3 -56.6 -39.9 0.0 42.7 5.3 180 183 A A T <> - 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