==== 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 25-NOV-11 3UT5 . COMPND 2 MOLECULE: TUBULIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR F.M.RANAIVOSON,B.GIGANT,M.KNOSSOW . 1863 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1376 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 166 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 6.7 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 124 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 198 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 686 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 1.8 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 5 6 1 1 10 0 4 0 3 2 2 4 4 1 7 0 5 0 1 2 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 5 2 4 4 4 8 4 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 2 3 1 4 0 1 0 4 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 . 4 0 0 0 5 2 0 1 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 1 A M 0 0 72 0, 0.0 2,-2.4 0, 0.0 124,-0.3 0.000 360.0 360.0 360.0 137.5 9.2 25.9 53.0 2 2 A R + 0 0 119 124,-0.1 124,-0.1 234,-0.1 43,-0.1 -0.212 360.0 178.2 -73.2 48.4 8.7 25.4 56.8 3 3 A E - 0 0 4 -2,-2.4 124,-2.8 124,-0.1 125,-0.7 -0.300 17.6-158.4 -68.8 141.4 8.7 29.2 57.2 4 4 A C E -a 128 0A 0 41,-2.8 2,-0.5 122,-0.2 54,-0.2 -0.962 7.6-145.5-121.7 132.1 8.2 31.0 60.6 5 5 A I E -a 129 0A 0 123,-2.2 125,-2.3 -2,-0.4 2,-0.4 -0.862 12.1-153.0-102.7 121.9 7.0 34.6 61.2 6 6 A S E -ab 130 59A 0 52,-2.4 54,-1.9 -2,-0.5 2,-0.5 -0.804 8.0-165.8 -92.7 129.8 8.5 36.4 64.3 7 7 A I E -ab 131 60A 0 123,-3.0 125,-3.3 -2,-0.4 2,-0.5 -0.984 0.9-165.0-119.7 124.7 6.3 39.2 65.9 8 8 A H E -ab 132 61A 0 52,-2.6 54,-3.6 -2,-0.5 2,-0.4 -0.951 10.0-173.1-113.8 112.1 8.0 41.6 68.3 9 9 A V E > - b 0 62A 1 123,-3.3 4,-1.1 -2,-0.5 125,-0.4 -0.903 44.7 -9.2-114.1 136.0 5.6 43.7 70.5 10 10 A G H > S- 0 0 2 52,-1.7 4,-2.7 -2,-0.4 5,-0.2 0.044 100.0 -54.6 73.6 176.9 6.4 46.6 72.9 11 11 A Q H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.905 137.2 44.2 -52.9 -54.0 9.9 47.8 74.0 12 12 A A H > S+ 0 0 21 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.966 114.8 48.9 -55.9 -58.4 11.1 44.4 75.4 13 13 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.877 116.2 43.4 -46.9 -51.7 9.8 42.5 72.3 14 14 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 48,-0.2 -1,-0.2 0.923 116.0 47.5 -62.2 -50.0 11.5 45.0 69.9 15 15 A Q H X S+ 0 0 44 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.884 114.7 44.3 -63.0 -42.5 14.7 45.1 71.9 16 16 A I H X S+ 0 0 7 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.896 110.7 58.5 -65.9 -40.3 15.1 41.3 72.3 17 17 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.4 5,-0.3 0.900 103.5 51.2 -53.2 -45.6 14.1 41.2 68.6 18 18 A N H X S+ 0 0 43 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.863 111.9 46.1 -61.2 -40.6 17.2 43.4 67.8 19 19 A A H X S+ 0 0 8 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.906 114.9 47.9 -68.9 -42.8 19.5 41.0 69.8 20 20 A C H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.917 112.4 46.1 -63.8 -51.1 17.9 37.9 68.1 21 21 A W H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.820 111.6 53.6 -66.0 -29.2 18.1 39.1 64.5 22 22 A E H X S+ 0 0 34 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.949 112.6 43.8 -65.7 -51.5 21.7 40.3 65.1 23 23 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.872 113.7 50.5 -62.6 -40.7 22.7 36.8 66.3 24 24 A Y H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 6,-0.2 0.957 108.9 51.5 -62.1 -51.7 20.7 35.1 63.4 25 25 A C H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.864 112.4 47.1 -50.1 -44.5 22.5 37.3 60.8 26 26 A L H ><5S+ 0 0 63 -4,-1.8 3,-0.8 3,-0.2 -1,-0.2 0.918 110.9 50.3 -65.3 -48.2 25.9 36.3 62.4 27 27 A E H 3<5S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.686 119.2 37.4 -63.0 -27.6 25.1 32.5 62.5 28 28 A H T 3<5S- 0 0 18 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.296 112.7-114.7-108.0 2.3 23.9 32.5 58.8 29 29 A G T < 5 + 0 0 35 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.2 0.684 61.0 154.0 69.3 23.2 26.6 35.0 57.5 30 30 A I < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 6,-0.2 -0.699 37.0-136.2 -85.1 130.4 24.0 37.7 56.6 31 31 A Q > - 0 0 120 4,-3.2 3,-2.5 -2,-0.4 -1,-0.0 -0.418 29.0-100.1 -80.8 159.8 25.4 41.3 56.6 32 32 A P T 3 S+ 0 0 34 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 0.619 125.3 54.3 -58.3 -12.5 23.4 44.3 58.2 33 33 A D T 3 S- 0 0 51 2,-0.1 44,-0.1 47,-0.1 -3,-0.0 0.438 125.4-102.3 -95.2 -7.3 22.4 45.3 54.6 34 34 A G S < S+ 0 0 0 -3,-2.5 21,-2.7 1,-0.3 2,-0.3 0.520 76.0 138.5 95.8 12.3 20.9 41.8 53.9 35 35 A Q - 0 0 114 19,-0.2 -4,-3.2 -4,-0.0 -1,-0.3 -0.712 31.1-167.2 -96.1 141.5 23.8 40.5 51.8 36 36 A M - 0 0 60 17,-0.4 -6,-0.1 -2,-0.3 -7,-0.1 -0.826 23.0-137.5-120.2 159.3 25.3 36.9 52.1 37 37 A P 0 0 101 0, 0.0 -8,-0.1 0, 0.0 -7,-0.1 0.759 360.0 360.0 -92.0 -24.6 28.5 35.3 50.7 38 38 A S 0 0 152 -9,-0.1 -9,-0.0 0, 0.0 -2,-0.0 0.955 360.0 360.0 62.2 360.0 27.1 31.8 49.5 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 85 0, 0.0 1707,-0.1 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 14.2 22.2 24.5 54.1 41 47 A D > + 0 0 102 196,-0.1 3,-1.7 198,-0.0 4,-0.1 -0.140 360.0 103.0 92.2 -26.0 19.0 26.3 52.7 42 48 A S G > + 0 0 14 1,-0.3 3,-1.4 2,-0.1 4,-0.2 0.618 60.5 77.1 -60.4 -19.1 17.1 26.0 56.0 43 49 A F G >> S+ 0 0 29 1,-0.2 3,-2.0 2,-0.2 4,-1.5 0.741 76.3 78.5 -63.3 -24.0 17.7 29.7 57.0 44 50 A N G <4 S+ 0 0 33 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.671 76.2 72.9 -59.6 -18.8 15.0 30.7 54.4 45 51 A T G <4 S+ 0 0 4 -3,-1.4 -41,-2.8 191,-0.2 -1,-0.3 0.757 113.5 25.8 -64.6 -28.2 12.4 29.7 57.1 46 52 A F T <4 S+ 0 0 0 -3,-2.0 12,-3.2 1,-0.2 2,-0.4 0.624 126.1 48.4-109.5 -21.9 13.4 32.9 58.9 47 53 A F E < -F 57 0B 0 -4,-1.5 -1,-0.2 10,-0.3 2,-0.2 -0.988 65.0-155.6-127.8 132.2 14.6 35.1 56.0 48 54 A S E -F 56 0B 27 8,-3.0 8,-2.7 -2,-0.4 2,-0.3 -0.590 19.3-124.8 -97.6 160.5 13.0 35.8 52.6 49 55 A E E -F 55 0B 118 6,-0.2 2,-0.2 -2,-0.2 6,-0.2 -0.823 16.1-158.2-112.4 149.2 14.9 36.7 49.4 50 56 A T > - 0 0 47 4,-1.3 3,-2.9 -2,-0.3 4,-0.3 -0.758 41.5 -93.2-115.0 166.3 14.6 39.7 46.9 51 57 A G T 3 S+ 0 0 98 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.594 124.9 57.4 -54.0 -17.6 15.6 40.3 43.3 52 58 A A T 3 S- 0 0 89 2,-0.1 -1,-0.3 -17,-0.0 3,-0.1 0.412 122.2-104.1 -92.9 -5.6 18.9 41.8 44.6 53 59 A G S < S+ 0 0 25 -3,-2.9 -17,-0.4 1,-0.3 2,-0.3 0.653 70.8 155.2 83.4 20.4 19.9 38.7 46.6 54 60 A K - 0 0 45 -4,-0.3 -4,-1.3 -19,-0.1 2,-0.7 -0.656 39.4-141.6 -83.2 130.9 18.9 40.5 49.8 55 61 A H E -F 49 0B 11 -21,-2.7 -6,-0.2 -2,-0.3 -1,-0.0 -0.861 19.8-170.1-100.9 104.7 17.8 38.4 52.8 56 62 A V E -F 48 0B 5 -8,-2.7 -8,-3.0 -2,-0.7 25,-0.1 -0.867 25.1-115.6-100.8 118.8 14.8 40.0 54.6 57 63 A P E -F 47 0B 1 0, 0.0 2,-2.1 0, 0.0 -10,-0.3 -0.185 18.0-126.9 -51.7 136.8 13.7 38.7 58.1 58 64 A R S S+ 0 0 19 -12,-3.2 -52,-2.4 -54,-0.2 2,-0.3 -0.536 73.7 116.8 -82.8 67.7 10.2 37.2 58.2 59 65 A A E -b 6 0A 0 -2,-2.1 2,-0.4 -54,-0.2 -52,-0.2 -0.972 53.2-155.3-140.7 154.8 9.4 39.6 61.1 60 66 A V E -b 7 0A 0 -54,-1.9 -52,-2.6 -2,-0.3 2,-0.5 -0.997 12.0-154.7-133.8 121.7 7.2 42.5 62.1 61 67 A F E -bc 8 86A 0 24,-2.4 26,-2.7 -2,-0.4 2,-0.4 -0.876 18.6-175.3 -97.8 124.9 8.2 44.9 64.9 62 68 A V E +bc 9 87A 0 -54,-3.6 -52,-1.7 -2,-0.5 2,-0.3 -0.986 14.2 156.6-128.5 140.9 5.3 46.7 66.7 63 69 A D E - c 0 88A 6 24,-1.2 26,-1.2 -2,-0.4 -2,-0.0 -0.951 39.0-140.4-157.5 141.0 5.0 49.4 69.3 64 70 A L S S+ 0 0 1 -2,-0.3 27,-0.1 24,-0.2 24,-0.1 0.526 96.7 52.7 -78.7 -3.9 2.3 51.9 70.3 65 71 A E S S- 0 0 23 25,-0.1 4,-0.3 1,-0.0 25,-0.2 -0.881 79.7-138.0-127.9 150.4 5.1 54.5 70.8 66 72 A P S > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.746 77.9 85.3 -90.8 -22.7 7.9 55.4 68.2 67 73 A T H > S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 21,-0.0 0.816 91.9 43.0 -43.4 -57.2 11.2 55.7 70.3 68 74 A V H > S+ 0 0 3 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.892 119.8 41.3 -63.4 -47.6 12.4 52.0 70.4 69 75 A I H > S+ 0 0 0 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.777 107.5 62.5 -74.6 -27.8 11.6 51.2 66.7 70 76 A D H X S+ 0 0 76 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.878 100.7 54.4 -63.7 -35.0 13.0 54.7 65.6 71 77 A E H X S+ 0 0 106 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.853 110.0 45.7 -63.8 -37.7 16.3 53.5 67.0 72 78 A V H < S+ 0 0 8 -4,-0.8 3,-0.2 2,-0.2 -2,-0.2 0.908 109.4 55.4 -69.3 -46.5 16.0 50.3 64.7 73 79 A R H < S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.714 120.2 32.0 -58.8 -26.2 15.0 52.6 61.7 74 80 A T H < S+ 0 0 104 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.536 107.4 97.9-106.4 -15.0 18.3 54.6 62.2 75 81 A G S >< S- 0 0 23 -4,-1.1 3,-1.4 -3,-0.2 4,-0.2 0.219 93.1 -84.8 -69.9-174.3 20.5 51.7 63.6 76 82 A T T 3 S+ 0 0 106 1,-0.3 3,-0.5 2,-0.1 -4,-0.1 0.798 128.0 52.1 -60.8 -35.3 23.1 49.3 62.2 77 83 A Y T >> S+ 0 0 37 1,-0.2 3,-1.2 -5,-0.1 4,-0.8 0.096 75.6 109.1 -95.3 23.1 20.3 47.0 61.0 78 84 A R T <4 S+ 0 0 147 -3,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.885 76.0 52.1 -65.5 -41.9 18.4 49.7 59.1 79 85 A Q T 34 S+ 0 0 123 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.187 104.0 64.4 -83.0 24.6 19.2 48.3 55.7 80 86 A L T <4 S+ 0 0 0 -3,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.758 94.5 52.2-112.1 -40.6 17.8 44.8 56.8 81 87 A F S < S- 0 0 7 -4,-0.8 -1,-0.2 -3,-0.4 -21,-0.0 -0.839 83.7-121.1-102.2 140.0 14.1 45.4 57.6 82 88 A H > - 0 0 55 -2,-0.4 3,-1.1 -25,-0.2 4,-0.3 -0.460 27.7-116.2 -73.7 149.1 11.8 46.9 55.0 83 89 A P G > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.901 112.3 61.5 -54.5 -41.0 10.0 50.1 56.3 84 90 A E G 3 S+ 0 0 96 1,-0.3 31,-0.1 3,-0.0 -3,-0.0 0.724 97.3 58.2 -56.8 -29.6 6.6 48.5 56.1 85 91 A Q G < S+ 0 0 14 -3,-1.1 -24,-2.4 1,-0.1 2,-0.6 0.474 92.5 73.4 -84.3 -1.6 7.5 45.8 58.7 86 92 A L E < S-c 61 0A 9 -3,-1.8 2,-0.4 -4,-0.3 -24,-0.2 -0.927 70.0-177.2-115.5 99.2 8.4 48.3 61.4 87 93 A I E +c 62 0A 4 -26,-2.7 -24,-1.2 -2,-0.6 2,-0.3 -0.879 4.4 175.1-105.9 133.4 5.1 49.7 62.7 88 94 A T E -c 63 0A 36 -2,-0.4 -24,-0.2 -26,-0.2 2,-0.1 -0.960 16.4-152.7-136.8 154.9 4.6 52.5 65.4 89 95 A G - 0 0 17 -26,-1.2 3,-0.1 -2,-0.3 -25,-0.0 -0.361 27.5-116.0-106.1-171.1 1.9 54.5 67.0 90 96 A K S S+ 0 0 128 1,-0.3 2,-0.4 -25,-0.2 -25,-0.1 0.851 92.2 31.1 -99.4 -43.7 2.0 58.0 68.6 91 97 A E S S- 0 0 35 -26,-0.1 -1,-0.3 -27,-0.1 346,-0.0 -0.955 77.2-130.0-121.5 138.3 1.2 57.4 72.3 92 98 A D - 0 0 12 -2,-0.4 -2,-0.0 -3,-0.1 12,-0.0 -0.104 28.3-104.9 -75.4 176.2 2.0 54.3 74.4 93 99 A A > - 0 0 0 10,-0.0 3,-2.1 11,-0.0 6,-0.3 0.400 45.1-134.2 -83.5 2.6 -0.3 52.2 76.6 94 100 A A T 3 - 0 0 1 1,-0.3 596,-0.1 5,-0.1 3,-0.1 0.847 65.6 -56.2 43.8 51.0 1.3 53.8 79.7 95 101 A N T 3 S+ 0 0 14 1,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.633 109.6 128.5 58.4 21.3 1.7 50.4 81.6 96 102 A N <> - 0 0 3 -3,-2.1 4,-1.7 1,-0.1 3,-0.4 -0.926 49.3-160.9-112.5 115.7 -2.0 49.9 81.2 97 103 A Y H > S+ 0 0 0 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.867 95.0 56.2 -56.1 -44.0 -3.2 46.5 79.7 98 104 A A H >>S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-1.2 0.822 105.7 51.2 -61.0 -35.2 -6.6 48.1 78.9 99 105 A R H 4>S+ 0 0 8 -3,-0.4 5,-2.0 -6,-0.3 6,-1.6 0.908 114.0 42.4 -68.3 -45.0 -4.9 50.9 76.9 100 106 A G H <5S+ 0 0 0 -4,-1.7 -2,-0.2 38,-0.3 -1,-0.2 0.810 125.2 36.1 -69.9 -34.0 -2.9 48.4 74.8 101 107 A H H <5S+ 0 0 5 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.912 135.4 10.3 -83.3 -52.4 -5.9 46.0 74.4 102 108 A Y T X5S+ 0 0 10 -4,-2.9 4,-0.8 -5,-0.2 -3,-0.2 0.905 127.1 31.3 -96.4 -65.9 -8.9 48.5 74.1 103 109 A T T 44> S+ 0 0 0 -6,-1.6 3,-1.7 1,-0.2 4,-1.6 0.853 94.2 58.9 -54.1 -47.9 -4.7 49.0 70.5 106 112 A K G 3< S+ 0 0 32 -4,-0.8 4,-0.4 1,-0.3 -1,-0.2 0.739 99.2 61.4 -55.7 -29.1 -7.9 49.2 68.4 107 113 A E G <4 S+ 0 0 159 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.601 116.4 26.2 -76.8 -15.2 -6.3 52.0 66.3 108 114 A I T <> S+ 0 0 17 -3,-1.7 4,-1.7 -4,-0.3 3,-0.3 0.556 93.3 91.8-125.1 -15.1 -3.4 49.9 65.0 109 115 A I H X S+ 0 0 5 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.855 86.8 50.1 -51.4 -49.7 -4.5 46.2 65.0 110 116 A D H > S+ 0 0 104 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.865 111.1 51.1 -61.8 -36.3 -5.9 46.1 61.4 111 117 A L H > S+ 0 0 71 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.878 111.0 47.1 -66.0 -43.9 -2.7 47.6 60.0 112 118 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.932 113.8 47.8 -63.2 -49.8 -0.5 45.0 61.9 113 119 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.849 107.9 56.3 -58.8 -40.3 -2.7 42.1 60.6 114 120 A D H X S+ 0 0 80 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.890 110.8 44.2 -59.3 -43.0 -2.5 43.6 57.1 115 121 A R H X S+ 0 0 62 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.834 111.9 51.7 -73.7 -33.5 1.3 43.4 57.3 116 122 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 109.1 51.6 -66.5 -42.6 1.2 39.9 58.8 117 123 A R H X S+ 0 0 112 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.857 108.6 52.2 -59.1 -38.6 -1.1 38.8 55.9 118 124 A K H X S+ 0 0 128 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.893 111.5 44.6 -65.2 -42.4 1.6 40.3 53.5 119 125 A L H >< S+ 0 0 29 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.842 111.6 55.7 -67.7 -37.3 4.4 38.3 55.1 120 126 A A H >< S+ 0 0 15 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.785 98.5 59.4 -67.8 -31.3 2.0 35.2 55.0 121 127 A D H 3< S+ 0 0 114 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 98.5 60.8 -68.1 -23.9 1.4 35.4 51.2 122 128 A Q T << S+ 0 0 123 -3,-0.6 2,-0.5 -4,-0.6 -1,-0.3 0.328 90.6 95.2 -82.9 4.8 5.2 35.0 50.8 123 129 A C < - 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0 0 91 -25,-0.4 3,-1.0 -23,-0.3 4,-0.2 -0.553 25.5-142.5 -69.1 122.4 7.4 84.1 73.2 522 89 B P G > S+ 0 0 96 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.851 99.9 56.6 -59.0 -34.6 6.0 87.7 73.4 523 90 B D G 3 S+ 0 0 115 1,-0.2 31,-0.1 3,-0.0 -2,-0.0 0.705 95.8 67.0 -66.6 -25.3 2.5 86.5 72.1 524 91 B N G < S+ 0 0 0 -3,-1.0 -24,-1.4 -26,-0.1 2,-1.1 0.483 73.7 100.2 -76.0 -6.5 2.3 84.0 75.0 525 92 B F E < +s 500 0F 21 -3,-1.3 2,-0.9 -4,-0.2 -24,-0.2 -0.720 49.8 179.0 -85.3 94.5 2.1 86.9 77.6 526 93 B V E +s 501 0F 15 -26,-2.6 -24,-1.4 -2,-1.1 2,-0.4 -0.859 16.9 163.0-100.3 94.0 -1.6 87.0 78.3 527 94 B F E -s 502 0F 32 -2,-0.9 -24,-0.2 -26,-0.2 2,-0.1 -0.978 24.5-150.5-125.5 135.1 -1.9 89.8 81.0 528 95 B G - 0 0 13 -26,-2.3 3,-0.1 -2,-0.4 16,-0.0 -0.241 13.5-136.2 -90.9 175.7 -4.8 91.9 82.3 529 96 B Q S S+ 0 0 145 1,-0.2 2,-0.5 -25,-0.2 -1,-0.1 0.865 88.1 53.4-100.4 -59.1 -5.0 95.4 83.7 530 97 B S S S- 0 0 60 -26,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.734 84.9-141.4 -83.3 125.8 -7.3 95.2 86.8 531 98 B G - 0 0 7 -2,-0.5 12,-0.1 -3,-0.1 -1,-0.1 0.370 18.4-105.8 -69.5-158.1 -6.0 92.5 89.2 532 99 B A > - 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t 01394P 4 24,-1.4 26,-1.7 -2,-0.4 29,-0.0 -0.967 44.4-141.3-161.3 156.0 -41.3 157.3 110.1 1370 70 D L S S+ 0 0 7 -2,-0.3 28,-2.3 24,-0.2 24,-0.1 0.437 94.7 65.1 -95.6 -3.4 -44.8 158.7 110.2 1371 71 D E S S- 0 0 89 26,-0.2 4,-0.4 1,-0.1 25,-0.2 -0.925 73.7-147.4-117.5 139.3 -43.4 162.0 111.4 1372 72 D P S > S+ 0 0 36 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.857 80.3 81.3 -76.6 -32.3 -41.0 164.2 109.3 1373 73 D G H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.796 89.8 40.7 -35.7 -74.3 -39.0 165.5 112.3 1374 74 D T H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 113.4 53.9 -51.3 -47.5 -36.4 162.8 113.2 1375 75 D M H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.838 107.8 50.8 -61.3 -34.3 -35.5 162.0 109.6 1376 76 D D H X S+ 0 0 83 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.2 0.919 111.7 47.9 -65.3 -46.0 -34.8 165.7 108.8 1377 77 D S H X S+ 0 0 63 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.840 112.4 48.9 -64.3 -35.7 -32.4 165.8 111.9 1378 78 D V H < S+ 0 0 11 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.951 109.3 52.5 -67.0 -50.9 -30.7 162.5 110.8 1379 79 D R H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.807 116.0 40.5 -52.3 -40.3 -30.2 163.9 107.2 1380 80 D S H < S+ 0 0 96 -4,-1.7 -1,-0.2 4,-0.1 -2,-0.2 0.738 105.7 86.9 -82.8 -27.1 -28.6 167.1 108.6 1381 81 D G S >< S- 0 0 19 -4,-1.5 3,-1.8 -5,-0.2 4,-0.3 0.121 100.1 -54.5 -64.8 179.6 -26.6 165.1 111.3 1382 82 D P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -58,-0.1 -0.407 127.4 1.9 -63.9 130.3 -23.2 163.4 110.9 1383 83 D F T 3 S+ 0 0 34 -3,-0.1 4,-0.3 -2,-0.1 3,-0.2 0.698 93.7 125.8 65.3 22.1 -23.1 161.0 107.9 1384 84 D G < + 0 0 2 -3,-1.8 3,-0.5 1,-0.2 -4,-0.1 0.737 68.2 57.3 -78.0 -24.2 -26.8 162.0 107.1 1385 85 D Q S S+ 0 0 109 -4,-0.3 -1,-0.2 1,-0.2 -6,-0.1 0.634 91.5 73.6 -78.0 -21.3 -25.7 162.9 103.5 1386 86 D I S S+ 0 0 9 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.755 79.5 90.9 -66.0 -31.2 -24.4 159.3 103.1 1387 87 D F S S- 0 0 12 -3,-0.5 -23,-0.1 -4,-0.3 -21,-0.1 -0.357 89.6-102.2 -71.7 148.4 -28.0 157.8 102.8 1388 88 D R > - 0 0 85 -25,-0.4 3,-1.0 -23,-0.3 4,-0.2 -0.550 25.8-142.8 -68.8 122.2 -29.9 157.3 99.5 1389 89 D P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.849 99.7 56.6 -58.8 -34.6 -32.5 160.2 99.3 1390 90 D D G 3 S+ 0 0 112 1,-0.2 31,-0.1 3,-0.0 -2,-0.0 0.706 95.7 67.1 -66.9 -24.9 -35.1 157.9 97.7 1391 91 D N G < S+ 0 0 0 -3,-1.0 -24,-1.4 -26,-0.1 2,-1.2 0.479 73.5 100.3 -75.9 -6.8 -34.8 155.5 100.7 1392 92 D F E < -t 1367 0P 15 -3,-1.3 2,-0.8 -4,-0.2 -24,-0.2 -0.714 51.4-179.9 -85.1 93.9 -36.4 158.1 103.1 1393 93 D V E +t 1368 0P 15 -26,-2.6 -24,-1.4 -2,-1.2 2,-0.3 -0.852 16.5 162.0 -99.4 99.6 -40.0 156.9 103.4 1394 94 D F E -t 1369 0P 74 -2,-0.8 -24,-0.2 -26,-0.2 2,-0.2 -0.892 25.9-157.7-124.6 153.7 -41.8 159.4 105.7 1395 95 D G - 0 0 13 -26,-1.7 16,-0.0 -2,-0.3 -25,-0.0 -0.467 14.8-140.2-109.0-174.4 -45.3 160.4 106.6 1396 96 D Q S S+ 0 0 140 -25,-0.2 -26,-0.1 -2,-0.2 -1,-0.1 0.678 86.6 65.4-121.2 -29.0 -46.8 163.6 108.1 1397 97 D S S S- 0 0 87 1,-0.2 -26,-0.2 -26,-0.1 3,-0.1 0.753 84.7-150.3 -67.8 -32.8 -49.5 162.6 110.6 1398 98 D G - 0 0 2 -28,-2.3 -1,-0.2 1,-0.1 12,-0.1 -0.288 20.8-102.6 83.2-174.8 -47.3 160.7 113.1 1399 99 D A > - 0 0 2 -2,-0.1 3,-1.7 11,-0.1 6,-0.3 0.400 35.0-132.6-125.6 -6.3 -48.4 157.8 115.3 1400 100 D G T 3 - 0 0 49 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.791 63.5 -70.2 53.8 36.9 -48.9 159.6 118.7 1401 101 D N T 3 S+ 0 0 43 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.775 103.1 135.3 51.0 33.2 -46.9 156.8 120.5 1402 102 D N <> - 0 0 9 -3,-1.7 4,-1.6 1,-0.1 -1,-0.2 -0.961 49.8-155.4-115.1 115.4 -49.9 154.5 119.8 1403 103 D W H > S+ 0 0 1 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.851 94.5 56.4 -56.0 -42.8 -49.1 151.0 118.5 1404 104 D A H >>S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-1.4 0.902 104.5 52.1 -59.4 -44.7 -52.5 150.6 116.8 1405 105 D K H 45S+ 0 0 46 -6,-0.3 6,-2.2 3,-0.2 7,-0.4 0.921 116.4 40.6 -58.9 -43.7 -52.0 153.8 114.7 1406 106 D G H <5S+ 0 0 0 -4,-1.6 -2,-0.2 -7,-0.2 -1,-0.2 0.853 123.4 38.6 -71.2 -39.9 -48.6 152.4 113.5 1407 107 D H H <5S+ 0 0 6 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.792 137.3 5.5 -81.9 -34.4 -49.8 148.8 113.0 1408 108 D Y T <5S+ 0 0 8 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.752 126.8 32.9-119.0 -51.8 -53.3 149.5 111.6 1409 109 D T S >> S+ 0 0 32 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.802 128.9 54.1 -54.2 -43.6 -51.3 155.5 109.7 1411 111 D G H >> S+ 0 0 0 -6,-2.2 4,-2.0 1,-0.2 3,-1.0 0.877 101.4 55.9 -63.6 -45.2 -48.8 152.7 109.3 1412 112 D A H 34 S+ 0 0 21 -7,-0.4 4,-0.4 -3,-0.3 -1,-0.2 0.676 104.5 56.6 -63.6 -18.7 -50.9 150.5 106.9 1413 113 D E H << S+ 0 0 153 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.730 115.7 34.6 -83.3 -25.8 -51.2 153.6 104.6 1414 114 D L H XX S+ 0 0 21 -3,-1.0 4,-1.5 -4,-0.7 3,-0.6 0.609 94.3 91.4-101.5 -18.1 -47.3 154.0 104.3 1415 115 D V H 3X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 3,-0.2 0.836 84.7 49.9 -47.0 -49.5 -46.4 150.2 104.4 1416 116 D D H 3> S+ 0 0 89 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.855 105.9 56.5 -62.8 -37.1 -46.5 149.6 100.6 1417 117 D S H <> S+ 0 0 55 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.890 110.8 45.2 -60.2 -40.9 -44.2 152.6 99.9 1418 118 D V H >X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.2 3,-0.5 0.934 110.1 53.5 -67.0 -49.7 -41.6 151.1 102.3 1419 119 D L H 3X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.772 103.8 57.6 -57.9 -30.0 -42.0 147.6 100.7 1420 120 D D H 3X S+ 0 0 92 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.895 109.1 44.8 -67.4 -40.0 -41.3 149.1 97.3 1421 121 D V H < S+ 0 0 11 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.895 113.2 52.3 -63.2 -43.3 -32.7 147.1 97.5 1426 126 D S H >< S+ 0 0 7 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.824 105.9 53.5 -61.1 -40.1 -33.4 143.3 97.7 1427 127 D E H 3< S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.642 100.5 61.5 -73.9 -15.7 -33.2 142.8 93.8 1428 128 D S T << S+ 0 0 64 -3,-0.8 2,-0.4 -4,-0.7 -1,-0.3 0.047 86.5 101.3 -96.7 22.3 -29.8 144.5 93.7 1429 129 D C < - 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