==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE PROTEIN 09-AUG-93 1ATS . COMPND 2 MOLECULE: HEAT-SHOCK COGNATE 70 KD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.C.O'BRIEN,D.B.MCKAY . 382 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 80.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 16.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 . 1 0.3 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 . 40 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 1 1 0 1 1 1 1 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 1 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 S 0 0 138 0, 0.0 2,-0.2 0, 0.0 379,-0.0 0.000 360.0 360.0 360.0 32.1 16.3 12.3 -8.9 2 3 A K + 0 0 183 1,-0.8 137,-0.3 135,-0.0 138,-0.3 -0.727 360.0 14.2-173.8 120.9 15.1 15.5 -10.5 3 4 A G S S- 0 0 25 -2,-0.2 -1,-0.8 379,-0.1 137,-0.2 0.486 100.9 -78.2 78.7 130.2 15.7 19.0 -9.3 4 5 A P - 0 0 34 0, 0.0 135,-0.2 0, 0.0 2,-0.1 -0.319 46.6-115.5 -64.7 145.2 18.5 19.3 -6.7 5 6 A A - 0 0 1 371,-0.2 15,-0.5 368,-0.1 136,-0.3 -0.496 33.5-132.3 -72.7 150.9 17.5 18.3 -3.1 6 7 A V E -Ab 19 141A 0 134,-2.0 136,-2.3 -2,-0.1 2,-0.6 -0.726 2.6-129.3-107.9 159.2 17.7 21.2 -0.7 7 8 A G E -Ab 18 142A 0 11,-2.8 11,-2.3 -2,-0.3 2,-0.5 -0.943 28.6-168.6-108.0 118.7 19.3 21.5 2.8 8 9 A I E -Ab 17 143A 0 134,-3.0 136,-1.7 -2,-0.6 2,-0.6 -0.934 15.7-160.7-117.8 127.5 16.9 22.9 5.4 9 10 A D E -A 16 0A 18 7,-3.1 7,-2.1 -2,-0.5 2,-0.8 -0.901 8.9-167.4-101.0 117.7 17.7 24.1 8.9 10 11 A L E +A 15 0A 12 -2,-0.6 5,-0.2 134,-0.4 2,-0.2 -0.861 18.6 179.4-107.8 93.1 14.5 24.1 11.0 11 12 A G - 0 0 11 -2,-0.8 59,-0.1 3,-0.6 57,-0.1 -0.513 41.7-113.2 -95.2 168.6 15.4 26.0 14.1 12 13 A T S S+ 0 0 7 -2,-0.2 56,-0.8 1,-0.1 58,-0.2 0.730 114.8 11.0 -68.8 -25.2 13.5 27.0 17.2 13 14 A T S S+ 0 0 33 1,-0.4 26,-2.2 54,-0.1 2,-0.3 0.691 133.8 22.3-121.6 -41.4 13.7 30.7 16.3 14 15 A Y E - C 0 38A 51 24,-0.3 -3,-0.6 25,-0.1 -1,-0.4 -0.979 59.7-159.0-134.4 144.5 15.0 31.0 12.7 15 16 A S E -AC 10 37A 0 22,-2.7 22,-2.1 -2,-0.3 2,-0.3 -0.805 8.4-169.4-116.1 161.7 15.1 28.6 9.7 16 17 A C E -A 9 0A 2 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.4 -0.994 6.9-158.1-151.6 150.0 17.3 28.6 6.6 17 18 A V E +A 8 0A 2 11,-0.4 11,-1.7 18,-0.3 2,-0.3 -0.998 11.9 176.3-135.8 135.2 17.5 26.8 3.3 18 19 A G E -AD 7 27A 0 -11,-2.3 -11,-2.8 -2,-0.4 2,-0.4 -0.914 12.5-154.4-133.8 160.6 20.4 26.3 0.9 19 20 A V E -AD 6 26A 0 7,-2.2 7,-2.8 -2,-0.3 2,-1.7 -0.999 21.2-130.7-140.3 131.6 21.0 24.5 -2.4 20 21 A F E - D 0 25A 67 -15,-0.5 2,-0.7 353,-0.4 5,-0.3 -0.662 34.7-176.3 -79.2 86.3 24.1 23.1 -3.9 21 22 A Q E > - D 0 24A 57 -2,-1.7 3,-1.6 3,-1.1 -2,-0.1 -0.846 60.0 -43.5 -92.7 115.7 23.7 24.6 -7.3 22 23 A H T 3 S- 0 0 122 -2,-0.7 2,-0.2 1,-0.3 -1,-0.2 0.754 127.4 -15.2 26.3 78.8 26.6 23.5 -9.6 23 24 A G T 3 S+ 0 0 61 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 -0.217 125.9 50.9 107.2 -44.0 29.7 23.6 -7.5 24 25 A K E < S-D 21 0A 119 -3,-1.6 -3,-1.1 -2,-0.2 2,-0.6 -0.795 77.6-112.4-128.7 166.4 28.8 25.8 -4.5 25 26 A V E -D 20 0A 14 -5,-0.3 2,-0.5 -2,-0.3 -5,-0.3 -0.905 29.5-163.8 -99.4 121.5 26.1 26.0 -1.9 26 27 A E E -D 19 0A 37 -7,-2.8 -7,-2.2 -2,-0.6 2,-0.7 -0.943 12.8-141.3-109.3 121.2 23.9 29.1 -2.4 27 28 A I E -D 18 0A 14 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.796 23.5-128.9 -86.9 116.8 21.8 30.1 0.6 28 29 A I - 0 0 8 -11,-1.7 -11,-0.4 -2,-0.7 2,-0.2 -0.562 14.5-146.9 -74.2 121.5 18.5 31.3 -0.6 29 30 A A - 0 0 47 -2,-0.4 6,-0.2 1,-0.1 104,-0.1 -0.518 21.5-120.9 -84.2 149.4 17.1 34.6 0.6 30 31 A N > - 0 0 11 4,-2.9 3,-2.0 -2,-0.2 -1,-0.1 -0.168 33.1 -86.3 -83.9-178.4 13.4 35.1 1.1 31 32 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.823 130.6 51.8 -56.5 -36.6 10.8 37.5 -0.5 32 33 A Q T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.521 122.1-110.5 -80.3 -4.0 11.6 40.0 2.3 33 34 A G S < S+ 0 0 52 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.544 72.7 134.4 88.4 10.0 15.3 39.6 1.3 34 35 A N - 0 0 60 1,-0.1 -4,-2.9 -6,-0.0 -1,-0.3 -0.603 53.2-143.8 -93.7 154.2 16.5 37.9 4.5 35 36 A R S S+ 0 0 113 -6,-0.2 -18,-0.3 -2,-0.2 2,-0.3 0.512 90.4 35.0 -91.3 -9.8 18.7 34.8 4.7 36 37 A T S S- 0 0 18 -20,-0.1 -20,-0.2 -6,-0.0 -6,-0.1 -0.977 74.1-153.7-139.9 143.5 16.9 33.3 7.7 37 38 A T E -C 15 0A 4 -22,-2.1 -22,-2.7 -2,-0.3 14,-0.1 -0.983 28.4-103.4-123.3 138.4 13.2 33.5 8.3 38 39 A P E -C 14 0A 1 0, 0.0 2,-1.4 0, 0.0 -24,-0.3 -0.214 25.4-124.5 -55.8 145.3 11.6 33.3 11.8 39 40 A S + 0 0 15 -26,-2.2 2,-0.4 11,-0.1 30,-0.3 -0.441 69.1 134.7 -87.9 55.9 9.9 30.0 12.6 40 41 A Y - 0 0 39 -2,-1.4 11,-2.3 27,-0.1 2,-0.4 -0.903 35.6-175.2-112.0 138.7 6.7 31.9 13.2 41 42 A V E -FG 50 66B 1 25,-2.4 25,-3.3 -2,-0.4 2,-0.3 -0.986 8.3-171.2-131.6 136.7 3.2 31.2 12.1 42 43 A A E -FG 49 65B 0 7,-2.7 7,-2.8 -2,-0.4 2,-0.5 -0.991 11.2-151.1-134.2 145.4 0.3 33.5 12.7 43 44 A F E +F 48 0B 1 21,-2.8 5,-0.2 -2,-0.3 62,-0.2 -0.963 21.0 168.7-121.3 122.6 -3.5 33.2 12.2 44 45 A T - 0 0 30 3,-3.1 63,-1.5 -2,-0.5 -2,-0.0 -0.505 50.5 -92.8-116.5-172.4 -5.8 36.1 11.5 45 46 A D S S+ 0 0 130 61,-0.2 64,-0.1 -2,-0.2 3,-0.1 0.813 124.4 24.2 -73.3 -30.8 -9.4 36.6 10.4 46 47 A T S S+ 0 0 105 1,-0.1 2,-0.3 61,-0.0 -1,-0.1 0.655 124.7 15.6-110.4 -17.1 -8.4 36.8 6.8 47 48 A E - 0 0 100 2,-0.0 -3,-3.1 0, 0.0 2,-0.5 -0.940 54.9-121.0-157.2 171.6 -5.1 34.9 6.5 48 49 A R E -F 43 0B 131 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.983 34.0-158.1-116.4 114.1 -2.4 32.6 7.7 49 50 A L E -F 42 0B 27 -7,-2.8 -7,-2.7 -2,-0.5 2,-0.4 -0.880 8.5-171.8-101.9 131.3 1.0 34.4 7.9 50 51 A I E > -F 41 0B 28 -2,-0.5 3,-0.7 -9,-0.2 2,-0.3 -0.914 50.4 -12.3-121.4 143.8 4.3 32.5 7.8 51 52 A G T >> S+ 0 0 0 -11,-2.3 4,-1.8 -2,-0.4 3,-0.6 -0.504 125.5 2.4 79.3-134.5 7.9 33.8 8.4 52 53 A D H 3> S+ 0 0 17 -2,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.888 128.9 57.1 -60.0 -41.4 8.7 37.5 8.6 53 54 A A H <4 S+ 0 0 57 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.807 109.3 47.2 -61.5 -29.7 5.0 38.6 8.1 54 55 A A H X4 S+ 0 0 0 -3,-0.6 3,-1.3 -14,-0.3 4,-0.3 0.917 113.0 45.7 -76.2 -47.8 4.0 36.6 11.2 55 56 A K H >< S+ 0 0 49 -4,-1.8 3,-1.2 1,-0.3 4,-0.3 0.890 106.4 62.8 -63.6 -36.9 6.8 37.8 13.5 56 57 A N T 3< S+ 0 0 109 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.441 108.7 39.6 -71.3 -0.6 6.2 41.4 12.3 57 58 A Q T X> S+ 0 0 27 -3,-1.3 4,-2.2 -5,-0.1 3,-1.2 0.308 80.2 108.7-129.2 6.6 2.6 41.4 13.8 58 59 A V T <4 S+ 0 0 14 -3,-1.2 6,-0.1 -4,-0.3 -2,-0.1 0.834 72.6 59.8 -52.8 -42.8 3.2 39.5 17.0 59 60 A A T 34 S+ 0 0 25 -4,-0.3 -1,-0.3 1,-0.2 201,-0.1 0.786 112.9 40.6 -58.8 -29.1 2.8 42.6 19.3 60 61 A M T <4 S+ 0 0 143 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 126.7 30.5 -86.2 -42.8 -0.7 43.0 17.9 61 62 A N >< + 0 0 28 -4,-2.2 3,-1.3 1,-0.2 -18,-0.2 -0.260 66.7 150.4-119.4 54.4 -1.8 39.3 17.8 62 63 A P G > S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.828 73.0 52.0 -51.8 -45.7 0.0 37.4 20.7 63 64 A T G 3 S+ 0 0 84 1,-0.2 29,-0.4 28,-0.1 -2,-0.1 0.753 116.9 39.9 -68.4 -19.8 -2.6 34.7 21.3 64 65 A N G < S+ 0 0 28 -3,-1.3 -21,-2.8 -6,-0.1 2,-0.6 0.087 93.6 92.5-115.5 19.8 -2.7 33.7 17.6 65 66 A T E < -G 42 0B 0 -3,-1.2 2,-0.4 -23,-0.2 -23,-0.3 -0.977 63.4-157.8-115.9 112.1 1.0 34.0 16.8 66 67 A V E +G 41 0B 3 -25,-3.3 -25,-2.4 -2,-0.6 2,-0.3 -0.771 24.8 144.8 -96.8 140.8 2.7 30.6 17.2 67 68 A F + 0 0 29 -2,-0.4 -27,-0.1 -27,-0.2 -54,-0.1 -0.916 48.7 54.1-158.2 172.0 6.4 30.0 17.8 68 69 A D > + 0 0 16 -56,-0.8 3,-2.0 -29,-0.3 4,-0.2 0.682 57.8 144.5 65.7 21.7 8.6 27.6 19.8 69 70 A A G >> + 0 0 12 -30,-0.3 4,-2.2 1,-0.3 3,-1.9 0.788 62.4 68.2 -60.3 -28.2 6.9 24.6 18.2 70 71 A K G 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 -58,-0.1 0.703 90.5 62.0 -65.8 -18.6 10.3 22.8 18.2 71 72 A R G <4 S+ 0 0 13 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.524 114.2 34.7 -83.4 -4.0 10.0 22.7 22.0 72 73 A L T X4 S+ 0 0 7 -3,-1.9 3,-2.6 -4,-0.2 -2,-0.2 0.671 84.9 117.5-116.0 -36.0 6.8 20.6 21.6 73 74 A I T 3< S+ 0 0 3 -4,-2.2 80,-0.1 1,-0.3 3,-0.1 -0.085 90.9 2.0 -43.3 127.2 7.5 18.5 18.5 74 75 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 78,-0.1 79,-0.2 0.506 107.7 120.3 70.3 5.3 7.5 14.7 19.4 75 76 A R < - 0 0 67 -3,-2.6 2,-0.4 77,-0.1 -1,-0.2 -0.569 62.4-117.7-102.2 166.9 6.7 15.3 23.1 76 77 A R > - 0 0 121 -2,-0.2 3,-2.3 23,-0.2 6,-0.3 -0.825 20.8-127.7-101.5 137.9 3.9 14.3 25.4 77 78 A F T 3 S+ 0 0 36 21,-2.0 6,-0.2 -2,-0.4 22,-0.1 0.878 107.0 60.3 -49.8 -41.1 1.7 16.9 27.0 78 79 A D T 3 S+ 0 0 91 20,-0.4 -1,-0.3 4,-0.1 2,-0.3 0.453 78.5 108.3 -71.8 -2.1 2.4 15.3 30.4 79 80 A D S X> S- 0 0 44 -3,-2.3 4,-2.3 1,-0.1 3,-0.8 -0.578 74.3-123.7 -85.8 139.8 6.2 15.8 30.4 80 81 A A H 3> S+ 0 0 73 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.730 108.4 59.0 -45.5 -35.2 7.8 18.4 32.7 81 82 A V H 3> S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 110.9 42.4 -64.1 -44.4 9.6 20.3 29.9 82 83 A V H <> S+ 0 0 0 -3,-0.8 4,-2.7 -6,-0.3 -2,-0.2 0.954 113.8 51.7 -65.8 -50.3 6.2 20.9 28.3 83 84 A Q H X S+ 0 0 83 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.895 113.6 44.0 -53.6 -44.9 4.5 21.8 31.6 84 85 A S H >< S+ 0 0 70 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.939 114.1 48.2 -68.3 -48.6 7.2 24.3 32.5 85 86 A D H >< S+ 0 0 10 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.928 100.5 66.3 -59.9 -44.8 7.5 26.0 29.1 86 87 A M H >< S+ 0 0 46 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.826 86.7 70.8 -46.9 -35.7 3.7 26.4 28.8 87 88 A K T << S+ 0 0 168 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.1 0.362 104.4 40.0 -68.7 8.0 3.7 28.8 31.7 88 89 A H T < S+ 0 0 147 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.229 89.1 102.0-138.9 14.2 5.5 31.5 29.5 89 90 A W < - 0 0 29 -3,-1.6 4,-0.1 -4,-0.2 -23,-0.0 -0.829 59.6-148.3-102.9 136.8 3.8 31.2 26.1 90 91 A P S S+ 0 0 39 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.741 80.5 74.3 -72.0 -28.8 1.1 33.7 25.0 91 92 A F S S- 0 0 9 -26,-0.2 2,-0.3 -24,-0.1 -2,-0.2 -0.458 90.7-102.7 -84.8 162.7 -0.7 31.0 23.0 92 93 A M E -H 103 0C 121 11,-1.0 11,-2.3 -29,-0.4 2,-0.5 -0.643 25.5-163.5 -90.0 138.9 -2.8 28.2 24.3 93 94 A V E -H 102 0C 17 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.992 14.8-174.4-122.0 124.1 -1.5 24.6 24.6 94 95 A V E -H 101 0C 54 7,-3.3 7,-1.7 -2,-0.5 2,-0.5 -0.728 22.8-114.3-116.3 167.1 -4.2 21.9 25.1 95 96 A N E +H 100 0C 80 -2,-0.2 2,-0.4 5,-0.2 -19,-0.0 -0.897 27.6 174.4-108.9 126.4 -4.1 18.1 25.7 96 97 A D E > S-H 99 0C 69 3,-2.8 3,-1.3 -2,-0.5 -19,-0.1 -0.901 79.4 -30.5-132.4 101.5 -5.4 15.6 23.2 97 98 A A T 3 S- 0 0 87 -2,-0.4 -2,-0.0 1,-0.3 -1,-0.0 0.728 124.8 -49.9 63.0 26.3 -4.8 12.0 24.1 98 99 A G T 3 S+ 0 0 6 1,-0.4 -21,-2.0 -22,-0.1 -20,-0.4 0.531 117.7 115.7 90.3 6.5 -1.7 13.0 26.0 99 100 A R E < -H 96 0C 74 -3,-1.3 -3,-2.8 -23,-0.2 -1,-0.4 -0.873 67.2-120.6-110.1 139.1 -0.4 15.0 23.0 100 101 A P E -H 95 0C 1 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.536 29.5-175.3 -76.8 148.1 0.1 18.7 23.1 101 102 A K E -H 94 0C 28 -7,-1.7 -7,-3.3 -2,-0.2 2,-0.6 -0.981 25.0-127.6-143.8 130.2 -1.9 20.8 20.6 102 103 A V E -HI 93 113C 6 11,-2.2 11,-1.8 -2,-0.4 2,-0.5 -0.726 24.3-146.6 -83.4 119.2 -1.6 24.5 20.1 103 104 A Q E +HI 92 112C 73 -11,-2.3 -11,-1.0 -2,-0.6 9,-0.3 -0.804 30.4 157.5 -89.7 126.3 -5.0 26.1 20.3 104 105 A V E - I 0 111C 2 7,-2.4 7,-3.1 -2,-0.5 2,-0.5 -0.802 40.0-115.7-139.9 173.4 -5.6 29.2 18.0 105 106 A E E + I 0 110C 95 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.960 28.1 179.7-121.2 115.2 -8.3 31.2 16.3 106 107 A Y E > S- I 0 109C 24 3,-2.8 3,-1.2 -2,-0.5 -61,-0.2 -0.956 72.8 -19.6-119.3 113.3 -8.4 31.3 12.5 107 108 A K T 3 S- 0 0 116 -63,-1.5 2,-0.5 -2,-0.5 -1,-0.2 0.922 123.1 -56.6 59.3 47.4 -11.1 33.3 10.8 108 109 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.067 118.9 111.1 77.4 -33.3 -13.3 33.4 13.9 109 110 A E E < S-I 106 0C 116 -3,-1.2 -3,-2.8 -2,-0.5 2,-0.4 -0.607 71.5-127.7 -76.3 131.9 -13.2 29.6 13.9 110 111 A T E +I 105 0C 69 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.695 38.1 171.1 -82.5 131.0 -11.3 28.1 16.8 111 112 A K E -I 104 0C 86 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.3 -0.743 19.8-161.0-131.2 176.7 -8.7 25.6 15.7 112 113 A S E -I 103 0C 36 -9,-0.3 2,-0.3 -2,-0.2 -9,-0.2 -0.957 7.9-163.6-160.7 143.1 -5.8 23.6 17.1 113 114 A F E -I 102 0C 40 -11,-1.8 -11,-2.2 -2,-0.3 -2,-0.0 -0.930 24.8-111.4-131.3 159.1 -2.8 21.9 15.4 114 115 A Y >> - 0 0 59 -2,-0.3 3,-1.9 -13,-0.2 4,-1.5 -0.599 39.6-110.5 -83.2 149.9 -0.2 19.3 16.3 115 116 A P H 3> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.890 119.5 57.9 -48.4 -41.9 3.4 20.7 16.7 116 117 A E H 3> S+ 0 0 18 1,-0.3 4,-1.8 2,-0.2 47,-0.1 0.755 103.2 53.1 -63.0 -24.4 4.4 18.8 13.5 117 118 A E H <> S+ 0 0 66 -3,-1.9 4,-1.0 2,-0.2 -1,-0.3 0.854 107.4 50.5 -78.8 -34.2 1.7 20.7 11.6 118 119 A V H >X S+ 0 0 6 -4,-1.5 4,-1.2 -3,-0.4 3,-0.6 0.951 113.4 46.4 -66.3 -45.3 3.0 24.1 12.8 119 120 A S H 3X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.890 104.7 59.4 -65.3 -39.5 6.5 23.1 11.6 120 121 A S H 3X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.816 101.4 56.9 -59.9 -28.7 5.3 21.8 8.2 121 122 A M H S+ 0 0 53 -4,-2.9 4,-2.6 1,-0.2 5,-0.8 0.844 110.0 56.6 -52.6 -36.8 11.3 26.9 -5.7 132 133 A A H <5S+ 0 0 80 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.943 112.0 40.5 -60.3 -50.8 11.1 30.7 -6.2 133 134 A Y H <5S+ 0 0 117 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.912 121.1 41.1 -65.1 -49.1 14.9 31.1 -6.6 134 135 A L H <5S- 0 0 39 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.808 96.2-133.3 -72.4 -33.9 15.5 28.0 -8.7 135 136 A G T <5S+ 0 0 62 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.824 74.8 83.9 80.2 32.5 12.4 28.3 -11.0 136 137 A K S - 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0 0 8 -5,-2.9 2,-0.9 -6,-0.2 -1,-0.3 -0.792 50.9-139.5-106.8 142.0 8.8 17.0 1.0 167 168 A N E -e 140 0A 86 -28,-3.3 -26,-2.5 -2,-0.4 2,-1.2 -0.877 21.7-149.3 -97.4 101.2 10.7 13.8 0.5 168 169 A V E -e 141 0A 29 -2,-0.9 -26,-0.2 -28,-0.2 3,-0.1 -0.692 15.0-174.7 -76.9 97.6 13.1 13.7 3.4 169 170 A L E - 0 0 54 -28,-2.3 2,-0.3 -2,-1.2 -1,-0.2 0.817 69.5 -17.0 -60.7 -35.2 16.2 11.9 2.0 170 171 A R E -e 142 0A 124 -29,-0.7 -27,-1.3 -3,-0.1 2,-0.5 -0.964 54.1-136.1-169.2 152.1 17.8 11.9 5.4 171 172 A I E -e 143 0A 36 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.992 33.0-179.9-116.2 118.2 17.6 13.5 8.8 172 173 A I E -e 144 0A 19 -29,-1.3 -27,-1.9 -2,-0.5 2,-0.1 -0.828 31.8 -94.5-118.8 160.6 21.0 14.5 10.2 173 174 A N E > -e 145 0A 33 -2,-0.3 4,-1.9 -29,-0.2 5,-0.1 -0.431 29.9-124.9 -72.4 148.5 22.2 16.1 13.4 174 175 A E H > S+ 0 0 13 -29,-2.1 4,-1.8 1,-0.2 5,-0.1 0.897 108.4 48.8 -60.2 -47.3 22.8 19.9 13.5 175 176 A P H > S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.889 110.3 52.8 -63.1 -35.8 26.4 19.8 14.7 176 177 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.909 107.6 51.7 -64.2 -40.8 27.3 17.1 12.1 177 178 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.853 107.7 52.0 -64.5 -36.6 25.8 19.4 9.4 178 179 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.879 109.9 49.6 -66.3 -38.4 28.0 22.3 10.6 179 180 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 3,-0.6 0.852 109.4 50.2 -67.7 -40.4 31.1 20.1 10.4 180 181 A I H ><5S+ 0 0 12 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.879 100.7 66.6 -66.2 -35.7 30.2 18.9 6.9 181 182 A A H 3<5S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.2 39.3 -53.9 -33.6 29.8 22.6 6.0 182 183 A Y T <<5S- 0 0 42 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.164 117.5-111.2-102.9 14.1 33.6 23.1 6.6 183 184 A G T X 5S+ 0 0 27 -3,-2.3 3,-1.3 1,-0.1 -3,-0.2 0.751 72.1 141.0 62.6 26.0 34.6 19.8 5.0 184 185 A L T 3 < + 0 0 10 -5,-2.6 -4,-0.2 1,-0.2 30,-0.1 0.386 59.8 73.8 -78.6 6.0 35.6 18.4 8.4 185 186 A D T 3 + 0 0 49 -6,-0.3 -1,-0.2 -5,-0.2 -5,-0.1 0.571 68.7 112.4 -94.0 -10.4 34.1 15.1 7.2 186 187 A K S < S- 0 0 159 -3,-1.3 2,-0.5 1,-0.1 28,-0.2 -0.350 79.9-103.9 -66.9 140.1 37.0 14.4 4.7 187 188 A K + 0 0 153 26,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.564 41.7 170.7 -69.6 115.3 39.1 11.4 5.6 188 189 A V - 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