==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-JUN-06 2H6R . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR P.GAYATHRI,M.BANERJEE,A.VIJAYALAKSHMI,H.BALARAM,P.BALARAM, . 1625 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1123 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 259 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 2.0 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 116 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 483 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 13 1 1 20 10 4 6 0 1 0 10 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 13 11 6 28 6 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 . 16 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 8 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 0 121 0, 0.0 2,-0.3 0, 0.0 181,-0.2 0.000 360.0 360.0 360.0 47.8 75.3 10.8 -27.6 2 2 A V - 0 0 21 32,-0.1 181,-4.1 2,-0.0 2,-0.5 -0.842 360.0-175.4-161.0 117.4 75.1 10.1 -23.9 3 3 A I E -ab 36 183A 7 32,-1.0 34,-3.8 -2,-0.3 2,-0.5 -0.954 6.0-180.0-123.2 114.6 77.9 10.6 -21.3 4 4 A V E -ab 37 184A 1 179,-2.7 181,-2.1 -2,-0.5 2,-0.7 -0.955 12.6-157.7-118.0 121.9 77.3 9.5 -17.8 5 5 A I E -ab 38 185A 0 32,-2.3 34,-2.8 -2,-0.5 2,-0.4 -0.868 11.3-149.7-102.1 110.3 80.0 9.9 -15.1 6 6 A N E -a 39 0A 0 179,-3.2 184,-0.2 -2,-0.7 183,-0.2 -0.660 11.6-170.8 -82.2 127.8 79.5 7.5 -12.2 7 7 A Y > + 0 0 0 32,-2.2 3,-1.6 -2,-0.4 -1,-0.1 0.713 19.7 170.3 -88.1 -24.8 80.8 8.9 -8.8 8 8 A K T 3 - 0 0 22 31,-0.6 -1,-0.2 1,-0.2 265,-0.1 -0.252 64.6 -47.5 51.0-122.3 80.4 5.6 -6.9 9 9 A T T 3 S+ 0 0 0 263,-1.3 263,-0.3 261,-0.1 -1,-0.2 -0.053 86.9 140.3-135.9 33.3 82.1 6.0 -3.5 10 10 A Y X - 0 0 29 -3,-1.6 3,-1.2 261,-0.2 262,-0.1 -0.480 56.7-131.3 -78.1 150.8 85.5 7.5 -4.3 11 11 A N G > S+ 0 0 59 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.679 105.8 70.5 -72.9 -16.5 86.9 10.2 -2.0 12 12 A E G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.217 102.7 41.3 -84.5 14.6 87.5 12.2 -5.2 13 13 A S G < S+ 0 0 0 -3,-1.2 2,-0.4 -6,-0.1 28,-0.4 0.178 83.4 118.7-145.8 17.8 83.8 12.7 -5.7 14 14 A I S X S- 0 0 2 -3,-0.8 3,-1.6 26,-0.1 5,-0.1 -0.762 80.7 -39.0 -95.4 133.7 82.4 13.5 -2.2 15 15 A G T >> S+ 0 0 0 -2,-0.4 4,-1.2 1,-0.3 3,-0.7 -0.323 131.2 4.1 61.0-128.2 80.7 16.8 -1.5 16 16 A N H 3> S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.766 127.9 63.3 -61.8 -28.2 82.3 19.9 -3.1 17 17 A R H <> S+ 0 0 109 -3,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.884 106.9 42.7 -65.1 -38.1 84.8 17.7 -4.9 18 18 A G H <> S+ 0 0 0 -3,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.723 109.9 58.5 -79.2 -21.4 82.0 16.0 -6.8 19 19 A L H X S+ 0 0 18 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.861 103.7 51.5 -73.9 -36.8 80.4 19.4 -7.4 20 20 A E H X S+ 0 0 103 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.812 106.7 53.5 -69.4 -31.0 83.5 20.7 -9.1 21 21 A I H X S+ 0 0 8 -4,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.801 107.3 54.0 -73.1 -28.3 83.5 17.7 -11.5 22 22 A A H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.937 109.6 43.2 -70.8 -50.0 79.9 18.5 -12.3 23 23 A K H X S+ 0 0 89 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.735 111.9 55.5 -69.9 -22.1 80.5 22.2 -13.4 24 24 A I H X S+ 0 0 47 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.879 111.4 43.8 -74.6 -38.3 83.6 21.1 -15.3 25 25 A A H X S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.773 112.1 54.7 -74.1 -27.4 81.4 18.6 -17.2 26 26 A E H X S+ 0 0 47 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.862 105.6 53.3 -72.5 -37.2 78.8 21.4 -17.5 27 27 A K H X S+ 0 0 40 -4,-1.7 4,-0.8 1,-0.2 3,-0.4 0.928 111.8 41.5 -64.6 -48.7 81.4 23.7 -19.1 28 28 A V H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 6,-0.5 0.613 107.1 67.7 -75.4 -11.1 82.5 21.3 -21.8 29 29 A S H X>S+ 0 0 21 -4,-0.5 4,-1.5 3,-0.2 5,-0.6 0.881 107.5 35.2 -74.4 -39.3 78.9 20.4 -22.3 30 30 A E H <5S+ 0 0 148 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.558 119.2 50.4 -90.8 -11.9 78.0 23.9 -23.6 31 31 A E H <5S+ 0 0 132 -4,-0.8 -2,-0.2 -5,-0.1 -3,-0.2 0.804 123.0 32.7 -89.2 -37.1 81.3 24.3 -25.4 32 32 A S H <5S- 0 0 41 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.764 100.9-131.6 -88.2 -30.6 80.9 21.0 -27.1 33 33 A G T <5 + 0 0 55 -4,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.661 65.3 128.7 83.1 16.9 77.2 21.0 -27.3 34 34 A I < - 0 0 8 -5,-0.6 2,-0.4 -6,-0.5 -1,-0.3 -0.931 62.1-124.4-113.8 124.8 77.1 17.5 -25.9 35 35 A T - 0 0 78 -2,-0.5 -32,-1.0 -34,-0.1 2,-0.5 -0.488 30.1-175.4 -68.4 118.1 74.9 16.5 -22.9 36 36 A I E -a 3 0A 0 -2,-0.4 2,-0.2 -11,-0.2 -32,-0.2 -0.975 4.9-166.7-119.3 120.9 77.1 15.0 -20.2 37 37 A G E -a 4 0A 3 -34,-3.8 -32,-2.3 -2,-0.5 2,-0.3 -0.596 5.2-146.6-105.2 167.8 75.4 13.6 -17.1 38 38 A V E -ac 5 56A 0 17,-2.7 19,-2.9 -34,-0.2 -32,-0.2 -0.938 11.2-149.7-133.6 155.7 76.6 12.6 -13.6 39 39 A A E -a 6 0A 0 -34,-2.8 -32,-2.2 -2,-0.3 -31,-0.6 -0.711 31.1-179.7-125.2 77.9 75.7 10.0 -11.0 40 40 A P - 0 0 0 0, 0.0 19,-0.4 0, 0.0 -32,-0.1 -0.100 35.1 -83.2 -71.4 172.2 76.6 11.5 -7.6 41 41 A Q >> - 0 0 5 -28,-0.4 3,-1.6 17,-0.1 4,-1.0 -0.386 44.6-103.7 -75.1 156.3 76.3 10.0 -4.2 42 42 A F T 34 S+ 0 0 6 1,-0.3 4,-0.4 235,-0.2 3,-0.3 0.806 121.9 49.7 -49.7 -37.9 72.9 10.1 -2.4 43 43 A V T 34 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.1 208,-0.2 0.665 113.8 45.3 -77.7 -17.3 74.1 12.9 -0.1 44 44 A D T <> S+ 0 0 1 -3,-1.6 4,-1.4 2,-0.1 3,-0.4 0.467 87.7 96.1-103.4 -4.6 75.4 15.0 -2.9 45 45 A L H >X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.3 3,-1.0 0.955 89.0 33.2 -50.6 -71.9 72.4 14.6 -5.3 46 46 A R H 3> S+ 0 0 22 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.557 110.3 69.3 -68.2 -5.5 70.3 17.7 -4.7 47 47 A M H 3> S+ 0 0 32 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.865 106.7 36.7 -77.1 -38.0 73.5 19.7 -4.0 48 48 A I H - 0 0 56 -2,-1.0 3,-1.2 3,-0.1 2,-0.2 -0.698 38.9-161.5-144.3 86.2 62.1 1.4 5.6 70 70 A T T 3 S+ 0 0 0 1,-0.2 3,-0.1 -2,-0.2 225,-0.1 -0.503 77.4 11.5 -72.4 131.5 65.0 2.7 7.6 71 71 A G T 3 S+ 0 0 2 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.695 100.2 125.2 77.3 19.8 68.2 3.1 5.6 72 72 A H < - 0 0 32 -3,-1.2 2,-0.7 141,-0.1 -1,-0.3 -0.789 63.9-117.8-113.1 156.6 66.6 2.7 2.2 73 73 A I - 0 0 6 -2,-0.3 -11,-0.9 -3,-0.1 2,-0.4 -0.824 29.9-151.4 -94.1 113.6 66.5 4.9 -0.9 74 74 A L >> - 0 0 1 -2,-0.7 4,-1.3 1,-0.1 3,-0.7 -0.705 10.9-139.7 -89.7 133.8 62.9 6.0 -1.7 75 75 A A H 3> S+ 0 0 0 -11,-0.4 4,-1.7 -2,-0.4 3,-0.5 0.888 103.3 50.2 -56.5 -46.7 61.9 6.7 -5.3 76 76 A E H 3> S+ 0 0 52 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.710 106.3 58.5 -67.6 -19.2 59.9 9.8 -4.5 77 77 A A H <> S+ 0 0 1 -3,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.818 103.8 50.9 -77.9 -32.4 62.8 11.1 -2.5 78 78 A I H >X>S+ 0 0 1 -4,-1.3 5,-1.2 -3,-0.5 3,-0.8 0.918 110.7 48.2 -69.1 -44.6 65.1 11.0 -5.5 79 79 A K H 3<5S+ 0 0 57 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.767 102.4 63.9 -67.3 -27.1 62.5 12.9 -7.6 80 80 A D H 3<5S+ 0 0 73 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 97.6 57.1 -68.2 -26.2 62.2 15.5 -4.9 81 81 A C H <<5S- 0 0 9 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.768 118.5-110.9 -75.5 -27.2 65.8 16.4 -5.4 82 82 A G T <5 + 0 0 46 -4,-0.7 -26,-0.2 -3,-0.4 -3,-0.2 0.612 59.5 161.0 103.7 17.9 65.3 17.2 -9.0 83 83 A C < - 0 0 9 -5,-1.2 -1,-0.2 1,-0.1 -26,-0.2 -0.407 39.3-142.4 -72.1 147.0 67.2 14.3 -10.4 84 84 A K - 0 0 99 -28,-2.1 29,-3.0 28,-0.1 2,-0.2 0.830 69.0 -45.6 -78.6 -34.1 66.6 13.2 -14.0 85 85 A G E -de 57 113A 0 -29,-1.2 -27,-1.7 27,-0.3 2,-0.3 -0.741 57.8-103.1-164.6-146.2 66.9 9.5 -13.4 86 86 A T E -de 58 114A 0 27,-2.2 29,-2.4 -29,-0.3 2,-0.4 -0.990 17.0-119.2-163.5 157.3 68.9 6.7 -11.7 87 87 A L E + e 0 115A 0 -29,-3.3 2,-0.3 -2,-0.3 29,-0.2 -0.874 37.1 179.7-103.2 134.8 71.4 3.9 -12.2 88 88 A I E + e 0 116A 2 27,-1.6 29,-3.1 -2,-0.4 6,-0.1 -0.955 50.7 19.7-138.8 155.9 70.3 0.4 -11.3 89 89 A N S S+ 0 0 3 4,-0.4 5,-0.3 -2,-0.3 -1,-0.2 0.876 73.9 177.7 57.5 42.8 71.6 -3.2 -11.2 90 90 A H B > -J 93 0C 12 3,-0.8 3,-1.8 -31,-0.2 -1,-0.2 -0.457 44.8-110.1 -75.5 148.9 75.3 -2.1 -11.3 91 91 A S T 3 S+ 0 0 52 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.622 121.3 51.7 -54.1 -12.9 77.9 -4.8 -11.2 92 92 A E T 3 S+ 0 0 48 1,-0.2 -1,-0.3 185,-0.0 2,-0.1 0.668 125.6 20.1 -97.7 -22.0 78.7 -3.5 -7.7 93 93 A K B < S-J 90 0C 48 -3,-1.8 -3,-0.8 181,-0.0 -4,-0.4 -0.546 77.9-178.1-149.0 76.1 75.2 -3.6 -6.4 94 94 A R - 0 0 83 -5,-0.3 2,-0.2 -3,-0.2 -3,-0.1 -0.542 13.2-148.1 -78.7 140.5 72.9 -5.9 -8.4 95 95 A M - 0 0 13 -2,-0.2 418,-1.8 1,-0.2 419,-0.3 -0.533 25.1 -84.6-104.0 172.6 69.3 -6.2 -7.5 96 96 A L B > -K 512 0D 46 416,-0.3 4,-1.9 -2,-0.2 416,-0.3 -0.258 38.7-113.8 -69.9 161.6 66.7 -9.0 -7.7 97 97 A L H > S+ 0 0 4 414,-1.9 4,-1.4 1,-0.2 5,-0.1 0.939 118.7 44.8 -63.2 -48.3 64.8 -9.6 -10.9 98 98 A A H > S+ 0 0 1 413,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.728 110.4 58.8 -68.4 -22.3 61.4 -8.5 -9.3 99 99 A D H > S+ 0 0 34 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.910 105.6 43.6 -74.9 -44.9 63.1 -5.5 -7.7 100 100 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.810 110.7 56.3 -72.3 -29.0 64.4 -3.8 -10.9 101 101 A E H X S+ 0 0 3 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.873 110.7 44.1 -69.6 -36.1 61.2 -4.4 -12.7 102 102 A A H X S+ 0 0 14 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.801 111.9 54.2 -76.7 -30.3 59.2 -2.6 -10.0 103 103 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.905 107.3 49.2 -69.8 -42.8 61.9 0.1 -9.9 104 104 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 112.3 50.1 -62.9 -38.6 61.6 0.8 -13.6 105 105 A N H X S+ 0 0 45 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.917 111.1 47.3 -65.3 -44.6 57.8 1.0 -13.1 106 106 A K H X S+ 0 0 38 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.885 113.4 49.3 -64.4 -38.8 58.1 3.4 -10.2 107 107 A C H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-2.1 0.869 107.7 52.2 -69.5 -38.4 60.5 5.6 -12.2 108 108 A K H <5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.729 112.9 46.2 -71.5 -18.9 58.3 5.7 -15.3 109 109 A N H <5S+ 0 0 63 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.564 117.2 44.7 -94.2 -13.3 55.4 6.8 -13.1 110 110 A L H <5S- 0 0 24 -4,-0.6 -2,-0.2 -3,-0.3 -3,-0.2 0.618 114.0-114.7-101.3 -21.2 57.7 9.3 -11.4 111 111 A G T <5 + 0 0 36 -4,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.595 65.5 146.4 94.4 13.4 59.3 10.6 -14.6 112 112 A L < - 0 0 4 -5,-2.4 -27,-0.3 -6,-0.2 -1,-0.3 -0.697 49.2-123.9 -87.9 133.5 62.8 9.3 -13.6 113 113 A E E -e 85 0A 40 -29,-3.0 -27,-2.2 -2,-0.4 2,-0.6 -0.539 23.1-138.3 -75.5 137.5 65.0 8.0 -16.4 114 114 A T E +e 86 0A 3 -2,-0.2 20,-2.6 -29,-0.2 2,-0.6 -0.882 22.9 177.7-106.8 119.6 66.2 4.5 -16.0 115 115 A I E -ef 87 134A 0 -29,-2.4 -27,-1.6 -2,-0.6 2,-0.5 -0.784 14.9-172.0-117.0 83.2 69.8 3.5 -16.7 116 116 A V E -ef 88 135A 0 18,-1.8 20,-1.3 -2,-0.6 -27,-0.2 -0.676 13.9-141.1 -83.6 121.1 70.0 -0.2 -15.9 117 117 A C E - f 0 136A 0 -29,-3.1 2,-0.3 -2,-0.5 20,-0.2 -0.496 21.1-172.3 -78.8 148.0 73.5 -1.7 -15.9 118 118 A T E - f 0 137A 1 18,-3.8 20,-2.2 -2,-0.2 -27,-0.1 -0.935 23.3-161.2-138.6 160.9 74.0 -5.2 -17.3 119 119 A N S S+ 0 0 26 -2,-0.3 2,-0.2 18,-0.2 -1,-0.1 0.717 73.7 39.0-113.3 -33.3 76.8 -7.8 -17.6 120 120 A N S S- 0 0 57 1,-0.1 4,-0.5 18,-0.1 -1,-0.1 -0.686 72.7-124.0-115.8 169.8 75.8 -10.2 -20.3 121 121 A I S > S+ 0 0 65 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.761 115.8 55.1 -81.9 -26.5 74.1 -9.9 -23.7 122 122 A N H > S+ 0 0 49 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.832 109.9 45.6 -72.4 -33.2 71.5 -12.4 -22.5 123 123 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.654 108.7 59.5 -81.5 -17.2 70.9 -10.2 -19.5 124 124 A S H > S+ 0 0 0 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.926 107.8 41.8 -74.5 -47.7 70.8 -7.2 -21.9 125 125 A K H < S+ 0 0 59 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.671 110.4 63.5 -71.7 -17.3 67.9 -8.7 -23.9 126 126 A A H >< S+ 0 0 3 -4,-0.5 3,-0.8 2,-0.2 4,-0.4 0.929 107.4 37.2 -73.2 -48.3 66.3 -9.6 -20.6 127 127 A V H >X S+ 0 0 1 -4,-1.5 3,-1.1 1,-0.2 4,-0.6 0.740 103.1 74.5 -75.4 -23.7 65.9 -6.1 -19.3 128 128 A A T 3< S+ 0 0 1 -4,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.749 91.8 57.3 -59.8 -23.1 65.1 -5.0 -22.8 129 129 A A T <4 S+ 0 0 5 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.768 97.9 58.7 -78.2 -27.7 61.7 -6.7 -22.2 130 130 A L T <4 S- 0 0 12 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.610 109.4-129.6 -75.6 -12.4 61.1 -4.5 -19.1 131 131 A S < + 0 0 50 -4,-0.6 2,-0.2 -3,-0.3 -3,-0.2 0.984 37.6 179.0 61.1 67.3 61.4 -1.5 -21.5 132 132 A P - 0 0 0 0, 0.0 27,-0.2 0, 0.0 -1,-0.1 -0.564 38.7-115.8 -94.8 160.3 63.9 0.8 -19.8 133 133 A D S S- 0 0 59 1,-0.2 26,-1.7 -2,-0.2 2,-0.3 0.954 90.8 -9.5 -59.6 -53.2 65.2 4.2 -21.0 134 134 A C E -fg 115 159A 2 -20,-2.6 -18,-1.8 24,-0.2 2,-0.4 -0.957 58.9-149.2-145.7 163.6 68.8 3.0 -21.4 135 135 A I E -fg 116 160A 1 24,-2.1 26,-3.5 -2,-0.3 2,-0.5 -0.983 7.9-149.9-141.9 125.0 71.1 0.0 -20.5 136 136 A A E -fg 117 161A 0 -20,-1.3 -18,-3.8 -2,-0.4 2,-0.4 -0.831 11.2-149.7 -98.8 126.5 74.8 -0.0 -19.8 137 137 A V E -fg 118 162A 4 24,-2.8 26,-2.4 -2,-0.5 -18,-0.2 -0.789 10.0-169.9 -95.8 135.3 76.8 -3.1 -20.6 138 138 A E + 0 0 30 -20,-2.2 -19,-0.1 -2,-0.4 27,-0.1 0.110 36.7 117.7-116.7 24.5 79.8 -3.9 -18.4 139 139 A P 0 0 38 0, 0.0 4,-0.1 0, 0.0 25,-0.1 -0.767 360.0 360.0 -97.9 139.1 82.0 -6.7 -19.8 140 140 A P 0 0 126 0, 0.0 3,-0.2 0, 0.0 25,-0.0 -0.226 360.0 360.0 -84.1 360.0 85.7 -6.1 -20.8 141 ! 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 0.0 142 155 A E 0 0 205 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.5 84.6 -9.2 -26.1 143 156 A V + 0 0 78 -3,-0.2 0, 0.0 -4,-0.1 0, 0.0 -0.973 360.0 165.1-160.0 144.1 81.7 -7.8 -28.1 144 157 A V S > S+ 0 0 26 -2,-0.3 4,-1.0 3,-0.1 -1,-0.1 0.457 77.6 65.8-133.9 -17.1 79.3 -4.8 -27.9 145 158 A E H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.900 100.2 51.8 -75.3 -42.7 77.7 -4.9 -31.4 146 159 A G H > S+ 0 0 12 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.712 107.1 55.5 -66.3 -20.2 75.9 -8.1 -30.8 147 160 A T H > S+ 0 0 1 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.828 106.6 50.0 -79.7 -34.4 74.6 -6.6 -27.6 148 161 A V H X S+ 0 0 7 -4,-1.0 4,-2.1 -3,-0.3 -2,-0.2 0.906 112.3 45.2 -70.4 -43.8 73.1 -3.7 -29.5 149 162 A R H < S+ 0 0 135 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.775 110.8 55.5 -72.0 -26.1 71.3 -5.8 -32.1 150 163 A A H X S+ 0 0 13 -4,-0.9 4,-0.6 -5,-0.2 3,-0.4 0.876 112.4 41.2 -73.2 -38.7 70.0 -8.2 -29.4 151 164 A V H >X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 3,-0.7 0.863 110.3 56.9 -76.4 -39.0 68.4 -5.4 -27.4 152 165 A K H 3< S+ 0 0 73 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.490 101.2 59.1 -73.7 -1.4 67.0 -3.6 -30.5 153 166 A E H 34 S+ 0 0 157 -3,-0.4 -1,-0.2 -4,-0.3 3,-0.2 0.716 112.3 37.0 -95.2 -26.9 65.1 -6.7 -31.6 154 167 A I H << S- 0 0 60 -3,-0.7 2,-0.3 -4,-0.6 -2,-0.2 0.889 144.9 -1.9 -87.0 -49.6 63.1 -6.9 -28.3 155 168 A N >< - 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0 0 25 31,-0.6 -146,-0.2 1,-0.2 -1,-0.2 -0.268 64.8 -51.4 50.6-118.5 44.5 13.5 -20.1 1042 9 F T B 3 S+X 891 0O 0 -151,-1.5 -151,-0.6 -153,-0.1 -1,-0.2 -0.006 84.4 144.8-142.5 33.1 45.8 12.3 -16.7 1043 10 F Y X - 0 0 8 -3,-1.6 3,-1.0 -153,-0.2 -152,-0.1 -0.329 56.1-126.2 -72.3 157.1 48.7 10.0 -17.4 1044 11 F N G > S+ 0 0 19 1,-0.2 3,-0.7 -154,-0.2 -1,-0.1 0.681 108.9 66.9 -74.7 -18.3 51.8 9.8 -15.2 1045 12 F E G 3 S+ 0 0 46 1,-0.2 -1,-0.2 -5,-0.1 -936,-0.1 0.529 101.5 48.2 -79.4 -6.7 53.9 10.4 -18.3 1046 13 F S G < S+ 0 0 0 -3,-1.0 2,-0.5 -6,-0.2 28,-0.3 -0.299 77.1 128.9-130.0 50.8 52.4 13.9 -18.7 1047 14 F I S X S- 0 0 1 -3,-0.7 3,-2.1 26,-0.1 2,-0.2 -0.925 77.1 -55.1-112.9 120.1 52.7 15.5 -15.3 1048 15 F G T >> S+ 0 0 0 -2,-0.5 4,-1.1 1,-0.3 3,-0.6 -0.347 131.7 11.9 59.1-118.2 54.4 18.9 -14.8 1049 16 F N H 3> S+ 0 0 103 1,-0.2 4,-1.6 -2,-0.2 -1,-0.3 0.751 125.4 64.0 -63.0 -25.5 57.9 18.9 -16.3 1050 17 F R H <> S+ 0 0 39 -3,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.888 106.9 41.1 -66.3 -39.4 57.1 15.6 -18.0 1051 18 F G H <> S+ 0 0 0 -3,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.681 108.6 62.2 -81.0 -18.0 54.4 17.1 -20.1 1052 19 F L H X S+ 0 0 17 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.857 101.3 51.7 -73.7 -36.1 56.6 20.2 -20.7 1053 20 F E H X S+ 0 0 106 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.812 106.6 53.5 -69.8 -30.9 59.2 18.1 -22.5 1054 21 F I H X S+ 0 0 9 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.803 107.2 54.1 -73.0 -28.4 56.5 16.6 -24.7 1055 22 F A H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.936 109.6 43.2 -70.7 -49.7 55.5 20.1 -25.7 1056 23 F K H X S+ 0 0 88 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.737 111.9 55.6 -70.1 -22.3 59.0 21.3 -26.7 1057 24 F I H X S+ 0 0 48 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.879 111.3 43.7 -74.3 -38.6 59.5 18.1 -28.6 1058 25 F A H X S+ 0 0 0 -4,-1.5 4,-0.6 1,-0.2 -2,-0.2 0.777 112.1 54.8 -73.9 -27.6 56.3 18.7 -30.5 1059 26 F E H X S+ 0 0 62 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.857 105.5 53.2 -72.5 -36.5 57.5 22.3 -30.9 1060 27 F K H < S+ 0 0 72 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 112.1 41.3 -65.8 -46.6 60.7 21.2 -32.4 1061 28 F V H < S+ 0 0 11 -4,-1.6 6,-0.3 1,-0.2 -1,-0.2 0.610 109.6 64.7 -77.4 -11.1 59.2 19.0 -35.1 1062 29 F S H X S+ 0 0 26 -4,-0.6 2,-1.0 -5,-0.1 4,-0.8 0.925 85.4 73.1 -76.4 -47.7 56.6 21.8 -35.6 1063 30 F E T < S+ 0 0 155 -4,-1.7 -1,-0.1 1,-0.2 5,-0.0 -0.604 114.1 9.1 -74.1 105.2 59.0 24.4 -36.9 1064 31 F E T 4 S+ 0 0 168 -2,-1.0 -1,-0.2 3,-0.0 -2,-0.0 0.935 108.6 76.8 83.2 80.3 59.8 23.1 -40.4 1065 32 F S T 4 S- 0 0 52 -3,-0.3 -2,-0.1 169,-0.0 -3,-0.1 -0.107 96.7-123.1-178.7 -28.1 57.5 20.3 -41.2 1066 33 F G S < S+ 0 0 70 -4,-0.8 2,-0.5 1,-0.2 -4,-0.1 0.395 70.6 124.3 86.0 -0.6 54.7 22.8 -41.9 1067 34 F I - 0 0 38 -6,-0.3 2,-0.9 -5,-0.3 -1,-0.2 -0.812 58.2-138.3-101.0 129.2 52.4 21.2 -39.4 1068 35 F T E -a 1035 0R 77 -34,-0.6 -32,-1.6 -2,-0.5 2,-0.6 -0.726 25.6-166.5 -83.0 108.4 50.8 23.1 -36.5 1069 36 F I E -a 1036 0R 1 -2,-0.9 2,-0.2 -11,-0.2 -32,-0.2 -0.874 6.9-176.0-103.9 122.3 51.0 20.8 -33.5 1070 37 F G E -a 1037 0R 3 -34,-3.2 -32,-2.2 -2,-0.6 2,-0.3 -0.685 9.9-146.9-112.6 167.4 49.0 21.6 -30.4 1071 38 F V E -ac10381089R 0 17,-2.6 19,-2.9 -34,-0.2 -32,-0.2 -0.936 11.2-149.7-133.9 156.2 48.7 20.1 -26.9 1072 39 F A E +a 1039 0R 0 -34,-2.8 -32,-2.2 -2,-0.3 -31,-0.6 -0.706 31.4 179.9-126.0 77.6 46.0 19.6 -24.3 1073 40 F P - 0 0 0 0, 0.0 19,-0.4 0, 0.0 -32,-0.1 -0.080 35.4 -82.5 -71.0 172.9 47.8 19.6 -20.9 1074 41 F Q >> - 0 0 3 -28,-0.3 3,-1.6 17,-0.1 4,-1.0 -0.394 44.6-103.8 -75.8 156.6 46.3 19.3 -17.4 1075 42 F F T 34 S+ 0 0 5 1,-0.3 4,-0.4 -179,-0.2 3,-0.3 0.804 121.9 49.7 -50.1 -37.4 44.8 22.3 -15.7 1076 43 F V T 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.1 -206,-0.2 0.658 113.7 45.5 -78.5 -16.4 47.8 22.7 -13.4 1077 44 F D T <> S+ 0 0 0 -3,-1.6 4,-1.3 2,-0.1 -2,-0.2 0.457 87.4 96.1-104.3 -3.7 50.3 22.5 -16.3 1078 45 F L H >X S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.3 3,-0.9 0.954 89.1 33.2 -51.4 -69.5 48.5 24.9 -18.6 1079 46 F R H 3> S+ 0 0 19 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.660 110.4 67.0 -67.0 -16.0 50.2 28.2 -18.1 1080 47 F M H 3> S+ 0 0 34 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.862 107.7 38.8 -71.3 -35.0 53.6 26.5 -17.4 1081 48 F I H - 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