==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 20-APR-11 3RLR . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P-P.KUNG,P-J.SINNEMA,P.RICHARDSON,M.J.HICKEY,K.S.GAJIWALA,F. . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 0 0 0 2 0 1 0 3 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 3 5 1 2 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 9 A D 0 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.5 2.0 -12.8 16.0 2 10 A Q - 0 0 163 1,-0.1 2,-0.1 2,-0.0 3,-0.0 -0.460 360.0-107.7 -81.3 146.0 4.0 -13.3 19.2 3 11 A P - 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.437 18.8-129.5 -66.5 144.3 4.3 -10.7 22.0 4 12 A M S S- 0 0 176 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.853 90.5 -10.6 -60.1 -35.8 7.6 -8.9 22.2 5 13 A E - 0 0 95 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.988 60.0-157.8-160.8 161.7 7.5 -9.9 25.9 6 14 A E - 0 0 166 -2,-0.3 2,-0.4 -3,-0.1 0, 0.0 -0.995 9.0-174.0-145.3 135.1 5.2 -11.3 28.5 7 15 A E - 0 0 57 -2,-0.3 2,-0.5 158,-0.0 -2,-0.0 -0.998 24.1-130.2-132.5 136.1 5.3 -11.1 32.3 8 16 A E - 0 0 144 -2,-0.4 158,-0.6 2,-0.0 2,-0.5 -0.730 29.1-159.9 -79.0 128.7 3.2 -12.8 35.0 9 17 A V E -A 165 0A 55 -2,-0.5 2,-0.4 156,-0.2 156,-0.2 -0.957 5.4-160.5-117.9 128.0 2.0 -10.1 37.4 10 18 A E E -A 164 0A 49 154,-2.8 154,-2.3 -2,-0.5 2,-0.5 -0.879 4.1-154.3-105.9 137.5 0.8 -10.9 40.9 11 19 A T E -A 163 0A 98 -2,-0.4 2,-0.4 152,-0.2 152,-0.2 -0.948 14.1-174.4-110.5 128.7 -1.4 -8.5 42.9 12 20 A F E -A 162 0A 64 150,-2.7 150,-2.4 -2,-0.5 2,-0.3 -0.931 22.9-124.2-119.8 145.5 -1.3 -8.7 46.8 13 21 A A E -A 161 0A 75 -2,-0.4 148,-0.3 148,-0.2 2,-0.1 -0.685 32.8-114.0 -82.8 140.6 -3.4 -6.9 49.4 14 22 A F - 0 0 16 146,-2.4 87,-0.2 -2,-0.3 -1,-0.1 -0.417 35.8 -97.6 -66.7 146.8 -1.5 -4.8 51.9 15 23 A Q >> - 0 0 56 85,-3.1 4,-2.3 1,-0.1 3,-0.5 -0.398 44.1-108.8 -58.7 146.0 -1.6 -5.9 55.6 16 24 A A H 3> S+ 0 0 71 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.861 115.9 48.1 -54.1 -44.7 -4.3 -3.8 57.2 17 25 A E H 3> S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.846 110.8 51.2 -68.7 -33.6 -2.0 -1.7 59.3 18 26 A I H <> S+ 0 0 4 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.913 109.7 49.9 -69.3 -40.8 0.3 -0.9 56.4 19 27 A A H X S+ 0 0 31 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.898 110.5 51.4 -60.5 -40.8 -2.6 0.2 54.3 20 28 A Q H X S+ 0 0 107 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.914 110.6 47.9 -62.6 -44.5 -3.7 2.4 57.2 21 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.906 110.2 51.8 -64.2 -43.0 -0.2 3.9 57.4 22 30 A M H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.899 109.1 50.0 -62.8 -40.6 -0.1 4.6 53.6 23 31 A S H X S+ 0 0 62 -4,-2.1 4,-1.3 1,-0.2 5,-0.3 0.891 111.3 49.2 -65.7 -39.4 -3.4 6.3 53.6 24 32 A L H X S+ 0 0 57 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.927 115.8 43.6 -63.4 -45.1 -2.4 8.6 56.5 25 33 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.920 115.1 44.8 -69.1 -44.4 0.9 9.5 54.8 26 34 A I H < S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.721 123.7 34.3 -78.6 -19.4 -0.3 10.1 51.3 27 35 A N H < S+ 0 0 121 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.765 96.7 88.5-103.8 -33.1 -3.3 12.1 52.3 28 36 A T S < S- 0 0 53 -4,-2.0 2,-0.4 -5,-0.3 -4,-0.0 -0.412 76.0-116.7 -80.5 144.5 -2.3 14.1 55.4 29 37 A F + 0 0 162 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.645 36.5 172.3 -79.8 128.1 -0.6 17.5 55.3 30 38 A Y - 0 0 38 -2,-0.4 3,-0.4 105,-0.1 -5,-0.0 -0.994 28.0-148.7-134.2 143.0 2.9 17.7 56.6 31 39 A S S S+ 0 0 111 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.539 91.6 53.3 -88.0 -8.7 5.2 20.7 56.4 32 40 A N > + 0 0 42 1,-0.1 3,-1.4 2,-0.0 -1,-0.2 -0.364 57.5 145.8-125.7 53.3 8.5 18.8 56.2 33 41 A K T > + 0 0 31 -3,-0.4 3,-1.9 1,-0.3 4,-0.2 0.657 54.6 84.9 -69.6 -14.8 8.0 16.3 53.4 34 42 A E T >> + 0 0 29 1,-0.3 3,-1.4 2,-0.1 4,-0.7 0.657 68.4 82.6 -61.7 -15.0 11.7 16.5 52.4 35 43 A I H <> S+ 0 0 5 -3,-1.4 4,-2.2 1,-0.3 -1,-0.3 0.687 70.8 80.1 -66.7 -14.2 12.5 13.9 55.0 36 44 A F H <> S+ 0 0 0 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.885 90.2 51.7 -58.2 -38.3 11.4 11.2 52.5 37 45 A L H <> S+ 0 0 3 -3,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.896 107.2 52.1 -70.8 -38.1 14.8 11.5 50.7 38 46 A R H X S+ 0 0 57 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.924 110.6 49.5 -58.0 -44.9 16.7 11.0 54.0 39 47 A E H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.880 111.8 46.7 -65.2 -39.6 14.7 7.9 54.7 40 48 A L H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.923 113.1 48.8 -70.6 -42.3 15.3 6.4 51.3 41 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.886 109.1 54.3 -63.1 -37.7 19.0 7.1 51.4 42 50 A S H X S+ 0 0 43 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.916 107.2 50.0 -61.8 -42.8 19.1 5.6 54.9 43 51 A N H X S+ 0 0 67 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.880 109.4 52.1 -65.5 -34.8 17.6 2.4 53.6 44 52 A S H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 108.5 50.9 -61.1 -47.3 20.1 2.3 50.8 45 53 A S H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.911 109.8 49.7 -58.5 -44.1 22.9 2.7 53.4 46 54 A D H X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.899 111.2 49.3 -60.2 -41.6 21.5 -0.2 55.4 47 55 A A H X S+ 0 0 17 -4,-2.0 4,-1.8 1,-0.2 41,-1.4 0.861 110.7 50.1 -68.5 -35.7 21.3 -2.4 52.3 48 56 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 39,-0.3 -1,-0.2 0.875 107.6 54.1 -69.7 -37.4 24.9 -1.5 51.4 49 57 A D H X S+ 0 0 60 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.904 106.9 53.8 -59.6 -40.5 26.0 -2.4 54.9 50 58 A K H X S+ 0 0 124 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.929 110.2 42.4 -65.0 -47.3 24.4 -5.8 54.5 51 59 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.891 114.7 52.9 -69.3 -34.5 26.1 -6.8 51.2 52 60 A R H X S+ 0 0 113 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.950 108.9 49.6 -61.7 -47.8 29.4 -5.4 52.6 53 61 A Y H >X S+ 0 0 162 -4,-2.9 3,-1.1 1,-0.2 4,-0.5 0.921 111.2 49.0 -55.3 -46.9 29.0 -7.5 55.8 54 62 A E H >X S+ 0 0 53 -4,-2.2 4,-1.1 1,-0.3 3,-0.8 0.827 106.1 57.7 -63.9 -31.3 28.3 -10.7 53.7 55 63 A S H 3< S+ 0 0 17 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.646 89.1 74.9 -76.5 -15.0 31.3 -10.0 51.5 56 64 A L H << S+ 0 0 127 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.850 112.7 23.7 -64.8 -34.4 33.6 -10.1 54.6 57 65 A T H << S+ 0 0 119 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.543 135.6 35.7-107.3 -13.5 33.3 -13.8 54.7 58 66 A D >< - 0 0 59 -4,-1.1 3,-2.0 1,-0.1 -1,-0.2 -0.694 59.4-179.0-144.5 87.7 32.4 -14.5 51.1 59 67 A P G > S+ 0 0 73 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.722 78.0 74.2 -59.5 -24.2 34.1 -12.1 48.6 60 68 A S G > S+ 0 0 58 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.660 75.9 80.2 -67.0 -13.4 32.3 -13.8 45.7 61 69 A K G < S+ 0 0 52 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.694 89.3 56.1 -62.9 -17.4 29.2 -12.0 46.9 62 70 A L G X S+ 0 0 27 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.268 71.7 100.5-100.2 9.5 30.7 -9.0 45.0 63 71 A D T < S+ 0 0 124 -3,-1.9 -1,-0.2 1,-0.3 3,-0.1 0.766 81.7 57.9 -62.0 -23.2 31.0 -10.7 41.7 64 72 A S T 3 S- 0 0 18 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.329 134.4 -37.1 -88.7 5.5 27.8 -8.8 40.9 65 73 A G < - 0 0 1 -3,-2.1 -1,-0.3 325,-0.1 -2,-0.1 -0.069 41.5-153.1 138.9 126.2 29.7 -5.6 41.6 66 74 A K + 0 0 76 322,-0.4 2,-0.3 -3,-0.1 323,-0.1 0.784 69.7 95.3 -87.9 -29.9 32.3 -4.3 44.0 67 75 A E - 0 0 93 -5,-0.1 2,-0.6 1,-0.1 19,-0.0 -0.463 58.4-159.3 -71.7 128.0 31.4 -0.6 44.1 68 76 A L + 0 0 27 -2,-0.3 2,-0.3 17,-0.1 19,-0.1 -0.912 36.4 126.3-111.5 109.2 29.1 0.3 47.0 69 77 A H - 0 0 33 -2,-0.6 17,-1.3 139,-0.2 2,-0.4 -0.936 50.6-121.3-157.6 172.0 27.2 3.6 46.3 70 78 A I E -Bc 85 210A 0 139,-2.4 141,-2.4 -2,-0.3 2,-0.4 -0.987 20.9-163.0-127.8 131.0 24.0 5.5 46.0 71 79 A N E -Bc 84 211A 26 13,-3.4 13,-2.8 -2,-0.4 2,-0.5 -0.935 4.5-158.5-115.7 139.9 22.7 7.3 42.9 72 80 A L E -Bc 83 212A 0 139,-2.9 141,-2.8 -2,-0.4 11,-0.2 -0.975 12.0-174.5-116.9 125.7 20.0 10.0 42.8 73 81 A I E -B 82 0A 26 9,-3.0 9,-2.0 -2,-0.5 2,-0.3 -0.844 6.4-169.9-130.1 96.1 18.3 10.5 39.4 74 82 A P E -B 81 0A 3 0, 0.0 141,-2.3 0, 0.0 2,-0.4 -0.676 2.3-172.5 -80.1 135.9 15.8 13.3 38.8 75 83 A N E >> -Bd 80 215A 5 5,-3.0 5,-2.0 -2,-0.3 4,-1.2 -0.869 7.1-176.6-130.7 97.4 13.9 13.1 35.5 76 84 A K T 45S+ 0 0 119 139,-0.6 -1,-0.1 -2,-0.4 140,-0.1 0.837 82.7 57.6 -65.7 -32.5 11.8 16.2 34.9 77 85 A Q T 45S+ 0 0 123 138,-0.4 -1,-0.2 1,-0.2 139,-0.1 0.891 118.1 31.1 -66.8 -38.5 10.3 14.8 31.7 78 86 A D T 45S- 0 0 107 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.528 105.3-128.9 -90.8 -8.7 8.9 11.7 33.4 79 87 A R T <5 + 0 0 85 -4,-1.2 103,-2.0 1,-0.2 2,-0.4 0.910 63.8 134.5 53.7 46.4 8.4 13.6 36.6 80 88 A T E < -BE 75 181A 9 -5,-2.0 -5,-3.0 101,-0.2 2,-0.4 -0.947 45.3-160.5-123.0 146.9 10.2 10.9 38.5 81 89 A L E -BE 74 180A 1 99,-2.0 99,-3.1 -2,-0.4 2,-0.4 -0.998 18.4-164.7-120.1 126.6 13.0 10.9 41.1 82 90 A T E -BE 73 179A 14 -9,-2.0 -9,-3.0 -2,-0.4 2,-0.5 -0.920 12.8-162.1-116.7 134.0 14.9 7.6 41.4 83 91 A I E -BE 72 178A 2 95,-2.4 95,-3.2 -2,-0.4 2,-0.4 -0.972 17.7-175.9-109.9 126.4 17.2 6.4 44.2 84 92 A V E +BE 71 177A 21 -13,-2.8 -13,-3.4 -2,-0.5 2,-0.3 -0.977 5.8 175.7-124.4 132.9 19.5 3.6 43.2 85 93 A D E -BE 70 176A 9 91,-2.6 91,-1.1 -2,-0.4 -15,-0.2 -0.904 34.5-136.6-127.6 165.6 21.9 1.6 45.3 86 94 A T + 0 0 17 -17,-1.3 89,-0.2 -2,-0.3 -16,-0.1 -0.212 63.9 131.0-105.1 37.5 24.2 -1.4 44.8 87 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.156 77.8 -65.5 -77.7-160.5 23.2 -2.9 48.1 88 96 A I - 0 0 16 -41,-1.4 59,-0.5 1,-0.1 87,-0.2 0.771 68.1-156.2 -65.7 -28.7 22.1 -6.4 49.0 89 97 A G - 0 0 4 85,-0.2 2,-0.3 57,-0.1 57,-0.2 -0.113 13.6 -90.8 74.7 179.9 18.9 -6.3 47.0 90 98 A M - 0 0 36 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.974 18.7-132.6-136.7 144.9 15.7 -8.4 47.5 91 99 A T > - 0 0 31 -2,-0.3 4,-2.3 54,-0.1 5,-0.1 -0.369 41.4-100.4 -79.2 170.8 14.2 -11.7 46.4 92 100 A K H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 128.1 50.7 -57.3 -43.5 10.6 -12.0 45.2 93 101 A A H > S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.911 107.2 54.1 -63.3 -41.4 9.8 -13.4 48.7 94 102 A D H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.925 109.3 48.1 -54.7 -47.6 11.6 -10.4 50.3 95 103 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.941 115.8 42.5 -59.6 -48.8 9.5 -8.0 48.3 96 104 A I H <>S+ 0 0 26 -4,-2.4 5,-2.0 1,-0.2 6,-0.3 0.903 122.6 39.0 -67.3 -40.2 6.2 -9.7 49.1 97 105 A N H <>S+ 0 0 61 -4,-3.0 5,-1.0 -5,-0.2 3,-0.5 0.899 125.1 33.1 -77.4 -43.8 7.1 -10.2 52.8 98 106 A N H <5S+ 0 0 109 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.579 118.5 49.9 -98.6 -11.7 8.9 -7.0 53.6 99 107 A L T <5S- 0 0 16 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.153 129.6 -26.4-119.7 40.1 7.0 -4.5 51.4 100 108 A G T 5S+ 0 0 0 -3,-0.5 -85,-3.1 2,-0.3 -82,-0.2 0.086 114.3 64.8 162.5 -42.4 3.4 -5.3 52.2 101 109 A T T > - 0 0 106 -2,-0.6 3,-1.0 -6,-0.1 4,-0.6 -0.211 35.2 -98.7 -70.8 173.4 6.1 -5.6 61.8 105 113 A S H 3> S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.774 118.0 71.7 -67.6 -24.6 5.3 -4.0 65.2 106 114 A G H 3> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.763 87.5 63.1 -64.3 -25.5 6.8 -0.8 64.0 107 115 A T H <> S+ 0 0 4 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.987 111.6 33.1 -63.7 -59.2 3.9 -0.1 61.7 108 116 A K H X S+ 0 0 120 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.872 117.8 57.6 -63.6 -36.6 1.2 0.2 64.3 109 117 A A H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.908 103.9 51.3 -63.3 -42.9 3.7 1.7 66.7 110 118 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.926 109.5 49.1 -60.7 -45.6 4.5 4.6 64.4 111 119 A M H X S+ 0 0 11 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.891 111.1 51.1 -64.1 -37.2 0.9 5.5 63.9 112 120 A E H X S+ 0 0 102 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.911 107.9 52.5 -60.4 -43.7 0.4 5.4 67.7 113 121 A A H <>S+ 0 0 20 -4,-2.5 5,-2.9 1,-0.2 -2,-0.2 0.910 108.8 49.9 -61.4 -41.7 3.5 7.7 68.1 114 122 A L H ><5S+ 0 0 30 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.911 109.3 51.0 -63.1 -43.3 2.0 10.2 65.7 115 123 A Q H 3<5S+ 0 0 165 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.2 54.1 -59.8 -33.0 -1.4 10.1 67.5 116 124 A A T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.365 132.5 -91.1 -87.1 4.6 0.6 10.8 70.7 117 125 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.499 77.2 142.8 105.6 5.4 2.3 13.8 69.1 118 126 A A < - 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