==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/INHIBITOR 23-MAR-12 4EB6 . COMPND 2 MOLECULE: TUBULIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR F.M.RANAIVOSON,B.GIGANT,M.KNOSSOW . 1861 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1277 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 157 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 5.7 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 . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 139 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 201 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 588 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 1.7 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 3 7 4 3 5 1 3 2 5 1 2 7 3 2 0 5 0 0 2 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 6 2 4 7 2 5 5 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 . 12 1 5 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 1 4 2 0 0 1 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 1 A M 0 0 61 0, 0.0 124,-0.2 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0-158.1 6.7 25.4 52.6 2 2 A R + 0 0 159 124,-0.2 125,-1.6 122,-0.1 126,-0.1 0.797 360.0 152.1 -22.8 -78.7 7.3 24.8 56.4 3 3 A E - 0 0 3 123,-0.2 124,-1.2 233,-0.1 125,-0.5 0.505 37.7-131.8 54.2 160.4 8.2 28.4 57.3 4 4 A C - 0 0 0 41,-1.5 2,-0.6 123,-0.1 125,-0.2 -0.939 5.7-146.0-148.9 122.3 7.9 30.4 60.6 5 5 A I E -a 129 0A 0 123,-1.7 125,-3.0 -2,-0.3 2,-0.7 -0.814 13.8-153.8 -92.4 121.6 6.4 34.0 61.1 6 6 A S E -ab 130 59A 2 52,-1.3 54,-2.4 -2,-0.6 2,-0.6 -0.861 9.0-167.2 -98.5 107.1 8.2 35.9 63.9 7 7 A I E -ab 131 60A 1 123,-1.8 125,-3.3 -2,-0.7 2,-0.5 -0.873 0.9-165.3 -99.4 120.9 5.9 38.5 65.5 8 8 A H E -ab 132 61A 1 52,-2.9 54,-3.1 -2,-0.6 2,-0.4 -0.938 9.8-178.2-110.2 116.8 7.6 41.1 67.7 9 9 A V E > - b 0 62A 0 123,-3.0 4,-0.8 -2,-0.5 125,-0.5 -0.975 43.5 -0.7-124.1 129.1 5.4 43.2 70.0 10 10 A G H > S- 0 0 0 52,-1.9 4,-1.6 -2,-0.4 130,-0.2 -0.400 98.3 -59.1 92.9-172.8 6.3 46.0 72.4 11 11 A Q H > S+ 0 0 56 128,-0.3 4,-2.7 2,-0.2 5,-0.2 0.924 137.1 44.5 -72.5 -45.9 9.7 47.4 73.4 12 12 A A H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.947 112.9 51.6 -62.6 -50.1 11.1 44.0 74.6 13 13 A G H X S+ 0 0 0 -4,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.886 115.7 41.1 -52.6 -48.0 9.7 42.1 71.6 14 14 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 3,-0.5 0.954 117.6 45.1 -67.4 -53.8 11.3 44.6 69.1 15 15 A Q H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.783 115.8 47.9 -63.9 -27.9 14.7 45.0 70.9 16 16 A I H >X S+ 0 0 9 -4,-2.8 4,-1.3 -5,-0.2 3,-0.6 0.693 109.1 56.5 -81.9 -22.5 14.9 41.2 71.4 17 17 A G H >X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.5 2,-1.4 0.954 100.8 54.4 -71.1 -51.6 14.0 40.9 67.7 18 18 A N H 3< S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.126 111.5 49.5 -76.2 39.6 16.9 43.0 66.5 19 19 A A H <> S+ 0 0 12 -2,-1.4 4,-1.3 -3,-0.6 -1,-0.2 0.373 109.9 46.0-141.0 -42.2 19.1 40.5 68.6 20 20 A C H << S+ 0 0 2 -4,-1.3 3,-0.5 -3,-0.5 5,-0.2 0.974 112.6 50.5 -70.0 -56.3 17.7 37.2 67.2 21 21 A W T >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.698 107.3 54.6 -56.7 -25.3 17.9 38.3 63.5 22 22 A E G >> S+ 0 0 36 -5,-0.3 4,-1.5 1,-0.2 3,-1.3 0.919 110.3 45.6 -73.4 -43.5 21.5 39.5 64.0 23 23 A L G 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.090 110.2 56.7 -84.0 18.9 22.4 35.9 65.3 24 24 A Y G <4 S+ 0 0 2 -3,-0.7 -1,-0.3 6,-0.1 6,-0.2 0.233 106.9 50.1-123.5 -4.6 20.4 34.7 62.2 25 25 A C T <>>S+ 0 0 4 -3,-1.3 4,-2.4 -5,-0.2 5,-0.7 0.785 108.3 47.1-101.8 -44.8 22.6 36.6 59.9 26 26 A L T <5S+ 0 0 59 -4,-1.5 -3,-0.1 2,-0.2 330,-0.1 0.650 106.6 58.9 -75.6 -18.6 26.1 35.6 61.0 27 27 A E T 45S+ 0 0 28 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.880 120.0 27.3 -73.7 -42.3 25.2 31.8 61.1 28 28 A H T 45S- 0 0 22 -4,-0.2 -2,-0.2 2,-0.1 10,-0.1 0.819 108.3-114.6 -86.7 -44.7 24.3 31.8 57.4 29 29 A G T <5 + 0 0 25 -4,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.322 56.7 159.0 113.8 2.0 26.5 34.7 56.1 30 30 A I < - 0 0 3 -5,-0.7 -1,-0.3 -6,-0.2 6,-0.2 -0.426 32.8-145.3 -59.2 106.6 23.5 36.9 55.2 31 31 A Q > - 0 0 121 4,-1.9 3,-2.1 -2,-0.4 4,-0.3 -0.535 34.8 -86.0 -77.8 146.0 25.1 40.4 55.1 32 32 A P T 3 S+ 0 0 43 0, 0.0 48,-0.1 0, 0.0 47,-0.1 0.461 126.5 54.7 -26.7 -22.5 22.9 43.4 56.3 33 33 A D T 3 S- 0 0 55 -2,-0.2 21,-0.1 2,-0.1 -3,-0.1 0.866 119.7-101.8 -82.4 -42.1 21.3 43.9 52.8 34 34 A G S < S+ 0 0 0 -3,-2.1 21,-1.2 1,-0.4 -4,-0.1 0.142 77.1 131.9 137.9 -13.5 20.0 40.3 52.4 35 35 A Q - 0 0 78 -4,-0.3 -4,-1.9 19,-0.2 -1,-0.4 -0.288 43.8-145.0 -66.0 149.6 22.7 38.9 50.1 36 36 A M - 0 0 50 -6,-0.2 -6,-0.1 1,-0.1 -7,-0.1 -0.912 15.3-134.9-118.8 145.3 24.4 35.5 50.8 37 37 A P 0 0 102 0, 0.0 -8,-0.1 0, 0.0 -1,-0.1 0.700 360.0 360.0 -72.1 -16.8 28.0 34.4 50.2 38 38 A S 0 0 132 -10,-0.1 -9,-0.0 -3,-0.0 -3,-0.0 0.989 360.0 360.0 -66.8 360.0 26.8 31.0 48.8 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 46 A D 0 0 138 0, 0.0 199,-0.4 0, 0.0 1708,-0.1 0.000 360.0 360.0 360.0 151.8 21.5 24.3 54.2 41 47 A D + 0 0 103 1,-0.2 3,-0.1 197,-0.1 197,-0.1 0.231 360.0 73.5 62.7 -9.2 18.1 24.3 52.3 42 48 A S > + 0 0 10 1,-0.1 3,-1.2 195,-0.1 -1,-0.2 0.404 66.6 85.8-110.8 -2.4 16.3 25.0 55.6 43 49 A F G >> S+ 0 0 26 1,-0.2 3,-1.7 2,-0.1 4,-1.1 0.731 75.6 75.0 -69.8 -23.1 17.3 28.7 56.0 44 50 A N G 34 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.563 75.8 77.0 -65.2 -11.3 14.2 29.5 53.8 45 51 A T G <4 S+ 0 0 7 -3,-1.2 -41,-1.5 192,-0.2 -1,-0.3 0.573 113.5 22.1 -73.4 -12.8 12.0 28.8 56.9 46 52 A F T <4 S+ 0 0 1 -3,-1.7 12,-1.9 1,-0.2 2,-0.4 0.464 124.8 53.3-128.9 -15.9 13.1 32.2 58.2 47 53 A F E < -F 57 0B 1 -4,-1.1 2,-0.4 10,-0.3 -1,-0.2 -0.994 64.1-151.1-133.8 131.7 14.2 34.1 55.0 48 54 A S E -F 56 0B 33 8,-3.1 8,-1.8 -2,-0.4 2,-0.3 -0.844 20.3-122.7-104.2 133.6 12.4 34.7 51.6 49 55 A E E -F 55 0B 118 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.553 30.5-153.4 -74.2 130.7 14.1 35.1 48.2 50 56 A T - 0 0 36 4,-1.7 -1,-0.0 -2,-0.3 5,-0.0 -0.432 28.3-104.7 -97.6 173.8 13.2 38.5 46.4 51 57 A G S S+ 0 0 92 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.838 121.3 46.4 -66.3 -37.2 13.1 39.5 42.8 52 58 A A S S- 0 0 104 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.830 122.8-101.3 -74.8 -37.8 16.4 41.5 43.1 53 59 A G S S+ 0 0 31 1,-0.4 -2,-0.1 -18,-0.0 -19,-0.0 0.153 77.3 125.3 136.9 -19.0 18.2 38.7 45.0 54 60 A K - 0 0 53 -19,-0.1 -4,-1.7 -5,-0.1 2,-0.8 -0.297 59.1-123.6 -70.2 154.2 18.2 39.7 48.7 55 61 A H E -F 49 0B 23 -21,-1.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.849 24.5-160.8-105.0 96.8 16.8 37.4 51.5 56 62 A V E -F 48 0B 16 -8,-1.8 -8,-3.1 -2,-0.8 2,-0.3 -0.619 22.3-120.0 -75.9 125.9 14.1 39.3 53.4 57 63 A P E -F 47 0B 5 0, 0.0 2,-1.4 0, 0.0 -10,-0.3 -0.543 19.8-122.7 -73.1 130.4 13.4 37.8 56.9 58 64 A R + 0 0 16 -12,-1.9 -52,-1.3 -2,-0.3 2,-0.3 -0.592 69.7 110.8 -74.2 90.7 9.8 36.6 57.4 59 65 A A E -b 6 0A 7 -2,-1.4 2,-0.3 -54,-0.2 -52,-0.2 -0.952 52.9-144.0-154.7 167.6 8.9 38.7 60.5 60 66 A V E -b 7 0A 0 -54,-2.4 -52,-2.9 -2,-0.3 2,-0.5 -0.954 8.8-158.3-147.3 121.7 6.7 41.6 61.7 61 67 A F E +bc 8 86A 0 24,-0.7 26,-2.5 -2,-0.3 2,-0.4 -0.904 15.7 178.7-105.2 124.4 7.7 44.3 64.3 62 68 A V E +bc 9 87A 2 -54,-3.1 -52,-1.9 -2,-0.5 2,-0.3 -0.996 10.4 155.1-131.7 129.1 4.8 46.2 66.0 63 69 A D E - c 0 88A 8 24,-1.3 26,-1.4 -2,-0.4 6,-0.1 -0.932 40.8-139.5-153.8 129.8 4.9 48.9 68.7 64 70 A L S S+ 0 0 1 -2,-0.3 24,-0.1 24,-0.2 -55,-0.0 0.531 95.8 64.7 -62.7 -7.9 2.4 51.6 69.6 65 71 A E S S- 0 0 38 1,-0.1 4,-0.4 26,-0.0 3,-0.2 -0.923 74.6-151.9-116.4 137.1 5.5 53.9 70.1 66 72 A P S >> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 3,-1.4 0.921 78.1 70.5 -82.9 -45.9 7.8 54.8 67.0 67 73 A T H 3> S+ 0 0 95 1,-0.3 4,-1.0 2,-0.2 0, 0.0 0.661 96.1 57.7 -45.1 -29.7 11.4 55.5 68.3 68 74 A V H 34 S+ 0 0 11 2,-0.2 4,-0.4 -3,-0.2 -1,-0.3 0.837 114.5 35.5 -71.7 -39.4 12.0 51.8 69.2 69 75 A I H X> S+ 0 0 0 -3,-1.4 4,-1.8 -4,-0.4 3,-0.6 0.753 111.2 62.7 -84.1 -29.2 11.3 50.5 65.6 70 76 A D H 3X S+ 0 0 56 -4,-2.2 4,-1.2 1,-0.2 5,-0.2 0.810 93.7 65.6 -63.8 -30.3 12.9 53.7 64.2 71 77 A E H 3X S+ 0 0 66 -4,-1.0 4,-0.8 -5,-0.2 -1,-0.2 0.862 106.8 39.5 -57.8 -42.0 16.1 52.4 65.9 72 78 A V H <4 S+ 0 0 6 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.861 112.0 57.7 -76.4 -37.8 16.1 49.4 63.4 73 79 A R H < S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.635 115.6 36.1 -65.3 -22.0 15.0 51.7 60.5 74 80 A T H < S+ 0 0 119 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.546 106.5 92.7-104.2 -20.1 18.1 53.9 61.0 75 81 A G S >< S- 0 0 26 -4,-0.8 3,-1.3 -5,-0.2 4,-0.2 -0.063 96.2 -93.8 -71.1 172.8 20.3 50.9 62.0 76 82 A T T 3 S+ 0 0 103 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.740 122.4 58.8 -60.6 -27.2 22.6 48.7 59.7 77 83 A Y T 3> S+ 0 0 47 1,-0.2 4,-1.2 -5,-0.1 -1,-0.3 -0.015 72.0 107.8 -94.6 27.8 19.8 46.1 59.2 78 84 A R T <4 S+ 0 0 140 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.915 83.2 43.3 -67.7 -46.8 17.4 48.8 57.7 79 85 A Q T 4 S+ 0 0 70 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.523 104.8 69.6 -77.0 -9.6 17.8 47.3 54.1 80 86 A L T 4 S+ 0 0 0 -48,-0.1 2,-0.2 -3,-0.1 -2,-0.2 0.982 94.1 53.2 -71.5 -62.8 17.4 43.7 55.6 81 87 A F S < S- 0 0 4 -4,-1.2 5,-0.1 -25,-0.2 -23,-0.1 -0.570 106.6 -97.2 -76.8 139.3 13.7 43.9 56.6 82 88 A H > - 0 0 81 -25,-0.3 3,-3.4 -2,-0.2 4,-0.2 -0.443 41.6-109.9 -63.1 106.3 11.4 44.9 53.7 83 89 A P T 3 S+ 0 0 87 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.371 113.8 38.8 -3.4 -51.5 10.6 48.7 54.0 84 90 A E T 3 S+ 0 0 114 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.0 0.493 89.4 97.3 -91.3 -6.5 6.9 48.6 55.1 85 91 A Q < + 0 0 10 -3,-3.4 -24,-0.7 1,-0.1 2,-0.7 0.669 66.5 78.5 -49.6 -33.3 7.4 45.5 57.4 86 92 A L E -c 61 0A 7 -3,-0.4 2,-0.3 -4,-0.2 -24,-0.2 -0.809 69.0-159.6 -94.7 108.5 7.7 47.5 60.6 87 93 A I E +c 62 0A 13 -26,-2.5 -24,-1.3 -2,-0.7 2,-0.3 -0.725 15.4 175.4 -90.6 134.1 4.3 48.7 62.0 88 94 A T E -c 63 0A 40 -2,-0.3 -24,-0.2 -26,-0.2 2,-0.2 -0.988 18.7-160.0-142.5 150.4 4.1 51.7 64.4 89 95 A G - 0 0 18 -26,-1.4 3,-0.1 -2,-0.3 16,-0.0 -0.466 27.4-118.6-110.2-175.6 1.6 53.9 66.2 90 96 A K S S+ 0 0 111 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.924 90.1 36.9 -93.7 -64.6 2.1 57.4 67.7 91 97 A E S S- 0 0 49 -26,-0.1 -1,-0.2 1,-0.1 -26,-0.0 -0.763 80.9-127.3 -96.3 136.5 1.4 57.2 71.5 92 98 A D - 0 0 14 -2,-0.4 -1,-0.1 -3,-0.1 12,-0.1 0.093 28.2-101.9 -66.1-179.1 2.5 54.1 73.6 93 99 A A > - 0 0 2 11,-0.1 3,-1.9 10,-0.0 7,-0.3 0.274 45.7-131.7 -92.2 11.1 0.3 52.0 75.9 94 100 A A T 3 - 0 0 1 1,-0.3 596,-0.1 5,-0.1 3,-0.1 0.771 62.3 -63.5 39.1 45.9 1.8 53.8 79.0 95 101 A N T 3 S+ 0 0 31 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.800 107.5 127.4 51.1 39.3 2.5 50.5 80.8 96 102 A N <> - 0 0 6 -3,-1.9 4,-1.7 1,-0.1 -1,-0.2 -0.992 53.2-154.3-125.8 125.6 -1.2 49.8 81.0 97 103 A Y H > S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.958 97.9 51.1 -61.9 -54.9 -2.8 46.5 79.7 98 104 A A H >>S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-1.3 0.781 108.8 53.7 -53.9 -34.0 -6.3 48.0 78.9 99 105 A R H 4>S+ 0 0 15 -6,-0.3 5,-1.3 3,-0.2 6,-1.2 0.954 115.7 37.1 -66.6 -51.7 -4.5 50.8 76.9 100 106 A G H <5S+ 0 0 0 -4,-1.7 -2,-0.2 -7,-0.3 42,-0.2 0.738 127.8 36.6 -72.4 -28.2 -2.6 48.3 74.7 101 107 A H H <5S+ 0 0 0 -4,-2.6 -3,-0.2 40,-0.2 -2,-0.2 0.904 130.2 19.7 -90.8 -52.5 -5.5 45.8 74.5 102 108 A Y T <5S+ 0 0 8 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.842 128.8 19.7 -91.6 -41.8 -8.7 47.9 74.4 103 109 A T T >> S+ 0 0 0 -6,-1.2 4,-1.7 1,-0.2 3,-0.9 0.833 97.9 64.3 -70.3 -35.5 -4.2 48.7 70.2 106 112 A K H 3> S+ 0 0 59 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.804 97.8 55.7 -55.7 -38.2 -7.7 48.7 68.7 107 113 A E H 3< S+ 0 0 122 -4,-0.8 -1,-0.2 -3,-0.3 4,-0.2 0.749 117.4 34.0 -69.5 -27.6 -6.6 51.4 66.1 108 114 A I H <> S+ 0 0 16 -3,-0.9 4,-1.8 -4,-0.5 -2,-0.2 0.584 96.2 87.0-105.5 -13.9 -3.7 49.2 64.9 109 115 A I H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 3,-0.2 0.895 91.5 43.4 -53.4 -55.0 -5.2 45.6 65.2 110 116 A D H X S+ 0 0 88 -4,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.868 113.2 54.5 -62.2 -36.8 -6.9 45.4 61.8 111 117 A L H 4 S+ 0 0 96 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.833 109.7 47.2 -65.7 -36.8 -3.8 46.9 60.1 112 118 A V H >X S+ 0 0 1 -4,-1.8 4,-2.4 -3,-0.2 3,-0.6 0.901 111.5 47.6 -74.7 -44.1 -1.5 44.3 61.7 113 119 A L H 3X S+ 0 0 9 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.712 111.3 50.9 -73.8 -13.9 -3.6 41.2 60.8 114 120 A D H 3X S+ 0 0 76 -4,-1.2 4,-0.7 -5,-0.2 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33.7-146.0 -82.9 124.5 28.2 52.8 89.2 758 325 B M H > S+ 0 0 31 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.576 90.9 78.7 -62.4 -10.9 24.4 52.1 89.4 759 326 B K H >> S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 3,-0.6 0.992 100.6 33.4 -62.3 -68.4 25.4 49.0 91.6 760 327 B E H 3> S+ 0 0 37 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.638 114.0 64.5 -65.6 -15.0 26.0 51.0 94.8 761 328 B V H 3< S+ 0 0 2 -4,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.917 115.6 27.4 -73.1 -41.2 23.3 53.4 93.8 762 329 B D H X S+ 0 0 32 -4,-1.1 4,-1.5 -5,-0.2 3,-0.9 0.777 109.5 57.5 -76.5 -30.4 21.8 51.6 99.0 765 332 B M H 3> S+ 0 0 5 -4,-0.5 4,-1.1 1,-0.2 3,-0.2 0.921 106.7 45.9 -67.6 -47.9 18.2 51.7 97.8 766 333 B L H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.083 117.1 47.2 -86.0 26.8 17.4 48.0 98.8 767 334 B N H <> S+ 0 0 44 -3,-0.9 4,-1.0 -5,-0.1 -2,-0.2 0.492 103.4 56.3-131.9 -26.4 19.1 48.6 102.2 768 335 B I H X S+ 0 0 23 -4,-1.5 4,-1.3 -3,-0.2 -2,-0.1 0.821 112.5 45.1 -76.6 -32.8 17.5 51.9 103.3 769 336 B Q H < S+ 0 0 52 -4,-1.1 -1,-0.2 2,-0.2 -3,-0.1 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