==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-JUN-05 1ZXF . COMPND 2 MOLECULE: CALC; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR S.SINGH,M.H.HAGER,C.ZHANG,B.R.GRIFFITH,M.S.LEE,K.HALLENGA, . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 23.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.9 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 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 N 0 0 109 0, 0.0 2,-2.9 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0-179.3 5.7 13.4 -6.5 2 2 A Y + 0 0 83 113,-0.2 120,-0.2 1,-0.2 4,-0.2 -0.107 360.0 72.2 69.9 -40.8 8.6 12.1 -4.3 3 3 A D S S+ 0 0 130 -2,-2.9 -1,-0.2 2,-0.3 119,-0.1 0.970 125.8 3.2 -67.1 -54.6 10.9 15.0 -5.4 4 4 A P S S- 0 0 61 0, 0.0 2,-0.3 0, 0.0 116,-0.1 0.875 142.3 -33.3 -87.9 -64.8 8.9 17.5 -3.4 5 5 A F - 0 0 108 111,-0.1 2,-0.5 2,-0.0 -2,-0.3 -0.978 55.3-129.8-152.3 152.3 6.4 15.2 -1.7 6 6 A V E +A 115 0A 14 109,-2.2 109,-2.4 -5,-0.4 2,-0.4 -0.933 28.5 176.9-109.6 126.2 4.7 12.0 -2.7 7 7 A R E -A 114 0A 123 -2,-0.5 2,-0.5 107,-0.2 107,-0.2 -0.990 16.1-154.7-131.0 135.2 0.9 11.8 -2.3 8 8 A H E +A 113 0A 8 105,-1.0 105,-3.0 -2,-0.4 2,-0.4 -0.938 14.0 179.0-109.8 132.4 -1.5 9.0 -3.2 9 9 A S E +A 112 0A 49 -2,-0.5 2,-0.3 103,-0.2 103,-0.2 -0.967 5.8 165.1-135.4 116.3 -5.2 9.8 -3.9 10 10 A V E -A 111 0A 2 101,-0.9 101,-2.4 -2,-0.4 2,-0.6 -0.939 30.4-131.7-125.0 156.1 -7.8 7.3 -4.9 11 11 A T E -A 110 0A 36 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.930 20.5-152.6-109.8 116.8 -11.5 7.4 -4.9 12 12 A V E -A 109 0A 0 97,-3.4 97,-1.6 -2,-0.6 3,-0.4 -0.716 6.7-153.6 -93.8 138.8 -13.3 4.5 -3.3 13 13 A K S S+ 0 0 78 -2,-0.3 95,-0.1 132,-0.3 -1,-0.1 0.294 86.3 40.8 -96.8 7.8 -16.8 3.5 -4.5 14 14 A A S > S- 0 0 13 1,-0.3 4,-0.9 95,-0.1 94,-0.3 -0.136 111.3 -82.6-156.0 47.1 -18.0 1.8 -1.3 15 15 A D H >> - 0 0 39 -3,-0.4 4,-1.7 92,-0.3 3,-0.8 0.295 54.4 -70.1 75.1 163.2 -17.0 3.8 1.8 16 16 A R H 3> S+ 0 0 62 92,-0.3 4,-2.7 1,-0.3 5,-0.2 0.747 125.1 69.5 -62.3 -25.6 -13.8 3.9 3.9 17 17 A K H 3> S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.935 104.5 38.5 -57.6 -49.5 -14.7 0.4 5.1 18 18 A T H S+ 0 0 12 -4,-2.7 4,-3.0 2,-0.2 5,-1.1 0.901 115.3 52.2 -67.1 -42.3 -9.3 -0.0 4.3 21 21 A K H <>S+ 0 0 66 -4,-2.3 5,-2.9 -5,-0.2 4,-0.2 0.962 114.5 41.0 -56.1 -52.8 -10.4 -3.6 3.6 22 22 A T H <5S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.717 119.9 46.0 -72.0 -22.6 -8.9 -3.6 0.1 23 23 A F H <5S+ 0 0 8 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.842 134.8 1.8 -89.0 -36.9 -5.8 -1.7 1.3 24 24 A L T <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.2 3,-0.2 0.770 128.6 47.1-119.8 -48.9 -4.9 -3.6 4.4 25 25 A E T S- 0 0 16 0, 0.0 3,-0.7 0, 0.0 108,-0.1 0.277 108.1 -53.4 -88.3-140.7 -2.9 -5.6 -9.4 33 33 A N G > S+ 0 0 25 1,-0.3 3,-1.6 103,-0.2 7,-0.4 0.733 122.7 81.6 -67.7 -20.4 0.8 -6.6 -8.8 34 34 A N G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -7,-0.1 -4,-0.1 0.176 72.3 77.5 -77.1 19.3 -0.4 -8.3 -5.6 35 35 A F G < S+ 0 0 125 -3,-0.7 2,-0.3 -4,-0.1 -1,-0.3 0.452 72.6 94.4-107.3 -3.8 -1.5 -11.4 -7.5 36 36 A R S X>>S- 0 0 156 -3,-1.6 5,-1.5 1,-0.1 4,-1.1 -0.724 81.8-107.6 -94.9 142.8 2.0 -12.9 -8.0 37 37 A T T 345S- 0 0 96 -2,-0.3 5,-0.2 1,-0.2 -2,-0.1 -0.387 93.0 -4.6 -76.8 138.6 3.3 -15.4 -5.5 38 38 A T T 345S+ 0 0 13 18,-0.2 -1,-0.2 1,-0.1 17,-0.1 0.497 119.2 83.9 57.1 8.2 6.1 -14.5 -3.0 39 39 A K T <45S- 0 0 59 -3,-1.0 -2,-0.2 -6,-0.1 -1,-0.1 0.853 126.8 -50.2 -91.5 -73.5 6.2 -11.1 -4.7 40 40 A V T <5S+ 0 0 1 -4,-1.1 -3,-0.1 -7,-0.4 -6,-0.1 0.070 131.0 70.1-147.1 18.3 3.4 -9.2 -2.9 41 41 A G < + 0 0 11 -5,-1.5 14,-0.0 -8,-0.1 -7,-0.0 -0.285 59.1 126.4-140.4 51.0 0.7 -11.8 -3.4 42 42 A A S S- 0 0 3 -5,-0.2 2,-3.3 -4,-0.1 15,-0.1 -0.516 82.6 -71.8 -94.2 172.8 1.3 -14.9 -1.3 43 43 A P S S+ 0 0 115 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.279 125.0 30.5 -65.0 62.4 -1.3 -16.4 1.2 44 44 A L + 0 0 46 -2,-3.3 2,-1.3 -4,-0.1 -17,-0.5 -0.302 57.7 167.2-170.5 -91.1 -0.8 -13.4 3.6 45 45 A G E S+B 54 0A 0 9,-0.9 9,-0.6 -18,-0.2 2,-0.4 -0.444 72.8 27.0 94.8 -63.6 0.1 -9.9 2.5 46 46 A V E -B 53 0A 13 -2,-1.3 2,-0.6 7,-0.3 7,-0.3 -0.999 67.5-142.3-137.9 139.2 -0.6 -8.0 5.6 47 47 A D E >> -B 52 0A 24 5,-3.5 5,-1.4 -2,-0.4 4,-1.3 -0.904 12.3-173.1-105.4 118.3 -0.6 -9.0 9.3 48 48 A K T 45S+ 0 0 84 -2,-0.6 -1,-0.1 3,-0.2 23,-0.0 0.827 80.5 50.4 -80.1 -35.5 -3.4 -7.4 11.3 49 49 A K T 45S+ 0 0 188 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.875 124.6 26.0 -76.4 -38.9 -2.3 -8.6 14.7 50 50 A G T 45S- 0 0 47 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.811 105.9-122.6 -92.5 -36.3 1.3 -7.5 14.6 51 51 A G T <5 + 0 0 9 -4,-1.3 17,-1.0 1,-0.3 2,-0.3 0.930 61.1 118.5 93.3 65.6 0.9 -4.7 12.0 52 52 A R E < -BC 47 67A 97 -5,-1.4 -5,-3.5 15,-0.2 2,-0.8 -0.980 58.4-123.4-159.3 148.1 3.2 -5.4 9.1 53 53 A W E +BC 46 66A 7 13,-1.6 13,-2.2 -2,-0.3 2,-0.3 -0.836 56.3 123.2 -95.4 108.5 3.0 -6.0 5.3 54 54 A Y E -B 45 0A 34 -2,-0.8 -9,-0.9 -9,-0.6 2,-0.3 -0.987 42.3-141.2-158.6 162.5 4.6 -9.3 4.4 55 55 A E - 0 0 0 -2,-0.3 2,-1.1 9,-0.3 8,-0.2 -0.796 39.3 -89.3-122.3 165.7 3.9 -12.6 2.6 56 56 A I - 0 0 58 -2,-0.3 2,-0.2 6,-0.1 -18,-0.2 -0.663 50.1-147.5 -77.4 102.5 4.9 -16.2 3.3 57 57 A D >> - 0 0 19 -2,-1.1 4,-2.6 1,-0.1 3,-1.2 -0.508 13.4-128.9 -76.8 144.1 8.1 -16.4 1.3 58 58 A E T 34 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.763 106.3 60.7 -64.1 -27.7 9.0 -19.7 -0.3 59 59 A Q T 34 S- 0 0 119 3,-0.1 -1,-0.3 1,-0.1 4,-0.0 0.744 138.4 -56.6 -74.9 -22.8 12.5 -19.6 1.3 60 60 A G T <4 S- 0 0 46 -3,-1.2 -2,-0.2 0, 0.0 -1,-0.1 0.510 81.2 -68.0 145.1 50.2 11.0 -19.6 4.8 61 61 A E S < S+ 0 0 127 -4,-2.6 2,-1.1 1,-0.2 -3,-0.1 0.614 90.5 132.5 63.0 16.3 8.6 -16.8 5.7 62 62 A E + 0 0 130 -5,-0.2 2,-0.3 -6,-0.0 -1,-0.2 -0.709 26.8 149.9-105.3 82.4 11.4 -14.3 5.5 63 63 A H - 0 0 8 -2,-1.1 2,-0.1 -8,-0.2 -24,-0.0 -0.849 55.3 -98.3-111.1 148.5 10.0 -11.5 3.4 64 64 A T - 0 0 41 -2,-0.3 2,-0.4 1,-0.0 -9,-0.3 -0.403 51.9-146.8 -54.7 140.8 10.6 -7.7 3.4 65 65 A F - 0 0 75 27,-0.2 2,-0.4 16,-0.1 -11,-0.2 -0.921 13.5-118.4-129.9 144.0 7.8 -6.2 5.4 66 66 A G E -C 53 0A 0 -13,-2.2 -13,-1.6 -2,-0.4 2,-1.4 -0.667 33.5-127.8 -79.1 128.2 5.8 -3.0 5.5 67 67 A L E -CD 52 80A 23 13,-1.2 13,-2.8 -2,-0.4 2,-0.7 -0.594 25.3-169.9 -85.9 89.2 6.3 -1.2 8.7 68 68 A I E + D 0 79A 20 -2,-1.4 11,-0.3 -17,-1.0 3,-0.2 -0.700 17.8 164.8 -80.6 116.2 2.9 -0.5 10.1 69 69 A R E S+ 0 0 123 9,-3.1 2,-0.4 -2,-0.7 10,-0.2 0.672 72.4 30.1 -98.6 -25.2 3.2 1.9 13.1 70 70 A K E + D 0 78A 86 8,-1.6 8,-1.6 2,-0.0 2,-0.6 -0.963 50.5 178.5-139.5 121.6 -0.5 2.8 13.1 71 71 A V E + D 0 77A 65 -2,-0.4 2,-1.4 6,-0.2 6,-0.2 -0.817 17.2 178.5-111.8 85.6 -3.5 0.7 12.1 72 72 A D E > - D 0 76A 59 4,-2.4 4,-1.8 -2,-0.6 3,-0.1 -0.564 44.7 -97.6 -96.5 70.7 -6.2 3.3 13.0 73 73 A E T 4 S- 0 0 119 -2,-1.4 2,-2.3 1,-0.2 3,-0.3 0.158 82.1 -29.8 49.4-172.9 -9.4 1.4 11.9 74 74 A P T 4 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 -58,-0.1 -0.574 134.6 65.1 -63.5 77.3 -10.9 2.1 8.4 75 75 A D T 4 S+ 0 0 42 -2,-2.3 26,-2.9 1,-0.1 2,-0.4 0.101 101.4 7.4-159.7 -68.4 -9.5 5.7 8.7 76 76 A T E < -DE 72 100A 21 -4,-1.8 -4,-2.4 -3,-0.3 2,-0.4 -0.989 46.5-171.1-139.4 143.0 -5.7 6.1 8.8 77 77 A L E -DE 71 99A 1 22,-1.7 22,-3.5 -2,-0.4 2,-0.8 -0.970 5.2-165.6-133.9 117.4 -2.7 3.9 8.3 78 78 A V E +DE 70 98A 24 -8,-1.6 -9,-3.1 -2,-0.4 -8,-1.6 -0.881 27.8 159.3-104.4 103.2 0.9 5.0 9.1 79 79 A I E -DE 68 97A 1 18,-2.0 18,-2.9 -2,-0.8 -11,-0.3 -0.956 35.5-131.3-129.5 142.7 3.3 2.5 7.5 80 80 A G E -D 67 0A 0 -13,-2.8 -13,-1.2 -2,-0.4 15,-0.2 -0.593 41.7 -91.1 -86.5 158.1 6.9 2.6 6.4 81 81 A W + 0 0 20 13,-1.4 -16,-0.1 -2,-0.2 -14,-0.1 -0.264 42.8 165.5 -78.8 155.1 7.9 1.3 2.9 82 82 A R - 0 0 4 10,-0.1 10,-0.4 -18,-0.1 2,-0.2 0.592 50.3 -70.7-125.4 -78.3 8.9 -2.2 2.0 83 83 A L - 0 0 16 -19,-0.1 -17,-0.1 8,-0.1 46,-0.0 -0.831 32.8-171.0 172.0 147.0 9.0 -3.2 -1.7 84 84 A N S S+ 0 0 6 -2,-0.2 49,-0.1 48,-0.0 -1,-0.0 0.736 79.1 41.1-117.9 -63.0 6.5 -3.8 -4.5 85 85 A G S S- 0 0 17 47,-0.5 -45,-0.1 1,-0.1 48,-0.1 0.591 88.2-132.2 -74.7 -10.6 7.8 -5.3 -7.8 86 86 A F S S+ 0 0 108 -47,-0.1 -1,-0.1 1,-0.1 -46,-0.0 0.632 96.0 81.5 64.9 14.6 10.2 -7.8 -6.1 87 87 A G S S+ 0 0 58 45,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.110 79.1 80.8-134.0 34.1 12.8 -6.5 -8.5 88 88 A R S S- 0 0 24 44,-0.1 2,-0.5 2,-0.0 41,-0.1 -0.899 72.1-120.7-137.4 162.2 13.7 -3.4 -6.6 89 89 A I + 0 0 75 39,-0.5 42,-0.2 -2,-0.3 43,-0.1 -0.941 36.1 158.6-109.1 127.1 15.9 -2.3 -3.7 90 90 A D - 0 0 19 -2,-0.5 -2,-0.0 -8,-0.1 35,-0.0 -0.988 46.2-121.7-144.1 150.0 14.4 -0.6 -0.7 91 91 A P - 0 0 45 0, 0.0 -9,-0.1 0, 0.0 -8,-0.1 0.588 33.2-137.5 -69.3 -12.9 15.7 -0.2 2.9 92 92 A D S S+ 0 0 35 -10,-0.4 -27,-0.2 1,-0.1 -10,-0.1 0.840 84.0 67.2 60.9 33.6 12.7 -1.9 4.4 93 93 A N S S+ 0 0 93 -11,-0.1 3,-0.2 -12,-0.0 -26,-0.1 0.394 90.3 23.1-141.9 -80.7 12.7 0.8 7.1 94 94 A S + 0 0 55 -14,-0.1 2,-2.3 1,-0.1 -13,-1.4 0.701 68.9 96.0 -78.4-125.9 12.0 4.5 6.7 95 95 A S - 0 0 0 -15,-0.2 21,-0.5 1,-0.1 23,-0.2 -0.476 61.1-170.2 70.8 -75.3 10.0 6.2 3.9 96 96 A E - 0 0 79 -2,-2.3 20,-1.2 -3,-0.2 2,-0.4 0.851 9.6-162.9 60.4 116.4 6.8 6.3 6.0 97 97 A F E -EF 79 115A 5 -18,-2.9 -18,-2.0 18,-0.2 2,-0.8 -0.993 13.3-142.7-132.2 129.4 3.4 7.3 4.5 98 98 A T E -EF 78 114A 39 16,-2.9 16,-2.4 -2,-0.4 2,-0.8 -0.805 16.5-151.1 -90.0 107.3 0.3 8.4 6.4 99 99 A V E -EF 77 113A 0 -22,-3.5 -22,-1.7 -2,-0.8 2,-0.7 -0.713 12.9-168.9 -81.8 109.7 -2.7 6.9 4.6 100 100 A T E -EF 76 112A 54 12,-1.4 12,-3.4 -2,-0.8 2,-0.8 -0.872 5.9-162.3-105.9 106.0 -5.6 9.3 5.2 101 101 A F E - F 0 111A 2 -26,-2.9 2,-0.8 -2,-0.7 10,-0.3 -0.777 6.3-158.2 -86.0 111.0 -8.9 7.9 4.1 102 102 A V E - F 0 110A 74 8,-2.5 8,-1.9 -2,-0.8 2,-0.2 -0.827 17.5-137.3 -91.9 109.4 -11.4 10.8 3.9 103 103 A A E - F 0 109A 40 -2,-0.8 2,-0.5 6,-0.2 6,-0.2 -0.459 12.0-158.5 -73.6 132.6 -14.8 9.3 4.2 104 104 A D E >> - F 0 108A 51 4,-3.3 4,-2.3 -2,-0.2 3,-0.6 -0.968 17.6-137.8-108.0 123.2 -17.6 10.5 1.9 105 105 A G T 34 S+ 0 0 71 -2,-0.5 2,-0.6 1,-0.3 -1,-0.1 0.715 95.8 72.7 -54.9 -25.5 -21.0 9.8 3.3 106 106 A Q T 34 S- 0 0 179 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 -0.091 129.4 -85.6 -85.1 39.5 -22.4 8.6 -0.0 107 107 A K T <4 S+ 0 0 128 -2,-0.6 2,-0.3 -3,-0.6 -92,-0.3 0.915 98.2 119.2 58.5 46.7 -20.4 5.4 0.2 108 108 A K E < - F 0 104A 81 -4,-2.3 -4,-3.3 -94,-0.3 -92,-0.3 -0.919 42.6-168.8-135.6 155.4 -17.4 7.1 -1.3 109 109 A T E -AF 12 103A 0 -97,-1.6 -97,-3.4 -2,-0.3 2,-0.7 -0.858 11.3-160.4-155.1 119.5 -13.9 7.7 0.0 110 110 A R E -AF 11 102A 103 -8,-1.9 -8,-2.5 -2,-0.3 2,-0.4 -0.881 17.9-155.6 -95.8 112.7 -11.0 9.8 -1.2 111 111 A V E -AF 10 101A 0 -101,-2.4 -101,-0.9 -2,-0.7 2,-0.5 -0.766 7.0-167.6 -88.7 136.9 -7.7 8.6 0.3 112 112 A D E -AF 9 100A 52 -12,-3.4 -12,-1.4 -2,-0.4 2,-0.6 -0.965 7.1-160.7-126.3 108.4 -4.9 11.2 0.6 113 113 A V E -AF 8 99A 3 -105,-3.0 -105,-1.0 -2,-0.5 2,-0.7 -0.827 5.1-156.9 -97.9 121.2 -1.6 9.7 1.4 114 114 A E E +AF 7 98A 128 -16,-2.4 -16,-2.9 -2,-0.6 2,-0.5 -0.858 18.8 174.1 -96.7 111.5 1.2 11.9 2.8 115 115 A H E +AF 6 97A 12 -109,-2.4 -109,-2.2 -2,-0.7 2,-0.3 -0.973 11.1 146.6-123.1 118.0 4.5 10.3 2.1 116 116 A T + 0 0 48 -20,-1.2 -111,-0.1 -2,-0.5 -2,-0.0 -0.774 39.6 56.3-158.8 103.7 7.7 12.2 2.9 117 117 A H S S+ 0 0 101 -2,-0.3 4,-0.4 -115,-0.1 -21,-0.1 -0.242 98.5 32.8-179.0 -69.2 11.1 10.9 4.1 118 118 A F S > S+ 0 0 12 -23,-0.2 3,-0.7 2,-0.2 8,-0.1 0.944 121.2 40.4 -78.2 -50.4 13.0 8.3 2.1 119 119 A D T 3 S+ 0 0 8 1,-0.2 3,-0.5 6,-0.1 7,-0.4 0.881 112.0 56.9 -69.7 -38.4 12.1 9.2 -1.5 120 120 A R T 3 S+ 0 0 142 1,-0.2 2,-0.7 5,-0.1 -1,-0.2 0.695 83.7 90.4 -63.6 -20.2 12.3 12.9 -1.0 121 121 A M S < S- 0 0 113 -3,-0.7 -1,-0.2 -4,-0.4 4,-0.2 0.052 100.1 -71.3 -80.1 29.9 15.9 12.5 0.2 122 122 A G > - 0 0 38 -2,-0.7 4,-2.4 -3,-0.5 5,-0.3 -0.431 61.9 -50.4 118.8 177.4 17.5 13.0 -3.2 123 123 A T H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 126.3 40.6 -55.9 -60.6 18.1 11.6 -6.6 124 124 A K H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.857 113.4 55.6 -64.9 -35.5 19.5 8.1 -5.8 125 125 A H H > S+ 0 0 64 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.961 115.3 37.4 -59.5 -50.9 16.9 7.6 -3.0 126 126 A A H X S+ 0 0 8 -4,-2.4 4,-2.6 -7,-0.4 -2,-0.2 0.791 113.4 60.0 -71.0 -27.5 14.0 8.3 -5.4 127 127 A K H X S+ 0 0 141 -4,-2.4 4,-0.7 -5,-0.3 -2,-0.2 0.877 104.7 46.9 -69.4 -39.0 15.9 6.5 -8.2 128 128 A R H < S+ 0 0 72 -4,-2.4 -39,-0.5 2,-0.2 4,-0.2 0.851 112.3 52.8 -72.4 -31.6 16.0 3.2 -6.2 129 129 A V H >X S+ 0 0 12 -4,-1.5 3,-1.4 -5,-0.2 4,-0.9 0.946 107.2 49.9 -61.6 -49.7 12.3 3.7 -5.4 130 130 A R H 3X S+ 0 0 112 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.677 86.0 92.8 -65.9 -14.5 11.5 4.2 -9.1 131 131 A N H 3< S- 0 0 77 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.759 116.9 -10.0 -52.5 -28.6 13.4 0.9 -9.8 132 132 A G H <4 S+ 0 0 9 -3,-1.4 -47,-0.5 -4,-0.2 -1,-0.2 0.235 116.4 85.9-157.8 15.6 10.2 -1.0 -9.5 133 133 A M H >X S+ 0 0 39 -4,-0.9 3,-1.8 3,-0.1 4,-0.8 0.767 75.8 75.1 -84.2 -26.9 7.4 1.3 -8.1 134 134 A D T 3< S+ 0 0 79 -4,-0.7 -1,-0.1 1,-0.3 -3,-0.1 0.768 104.5 31.6 -66.6 -34.2 6.4 2.7 -11.5 135 135 A K T 34 S+ 0 0 155 3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.156 128.2 41.7-106.4 18.1 4.5 -0.4 -12.8 136 136 A G T X> S+ 0 0 0 -3,-1.8 4,-2.9 3,-0.1 3,-0.5 0.611 106.0 40.6-122.5 -77.3 3.4 -1.4 -9.4 137 137 A W H 3X S+ 0 0 44 -4,-0.8 4,-1.9 1,-0.3 5,-0.1 0.865 119.9 43.2 -54.3 -51.9 2.1 1.1 -6.8 138 138 A P H 3> S+ 0 0 53 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.862 117.3 49.3 -59.8 -33.3 0.1 3.4 -9.2 139 139 A T H <> S+ 0 0 60 -3,-0.5 4,-2.0 2,-0.2 3,-0.3 0.836 104.1 58.4 -76.6 -33.5 -1.2 0.2 -10.8 140 140 A I H X S+ 0 0 13 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.952 103.4 54.0 -55.1 -48.2 -2.1 -1.3 -7.4 141 141 A L H X S+ 0 0 16 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.757 106.2 53.5 -60.4 -28.4 -4.3 1.8 -6.9 142 142 A Q H X S+ 0 0 123 -4,-0.7 4,-1.6 -3,-0.3 -1,-0.2 0.979 115.5 35.4 -72.1 -57.4 -6.1 1.1 -10.2 143 143 A S H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.775 113.9 63.4 -67.6 -25.9 -7.1 -2.5 -9.5 144 144 A F H X S+ 0 0 2 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.972 108.7 38.0 -57.8 -55.3 -7.6 -1.4 -5.9 145 145 A Q H X S+ 0 0 36 -4,-1.9 4,-1.7 1,-0.2 -132,-0.3 0.758 114.3 59.4 -68.7 -24.6 -10.4 0.9 -6.9 146 146 A D H X S+ 0 0 71 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.923 107.5 41.0 -75.3 -45.4 -11.6 -1.6 -9.5 147 147 A K H X S+ 0 0 31 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.851 114.6 54.3 -70.2 -31.4 -12.3 -4.5 -7.0 148 148 A I H X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.885 103.4 56.1 -63.4 -37.4 -13.7 -1.9 -4.7 149 149 A D H X>S+ 0 0 33 -4,-1.7 5,-2.8 1,-0.2 4,-1.6 0.884 105.5 52.3 -59.3 -37.0 -15.9 -0.9 -7.5 150 150 A E H <>S+ 0 0 47 -4,-1.4 5,-0.6 1,-0.2 -1,-0.2 0.886 108.7 48.8 -63.7 -41.0 -17.0 -4.6 -7.6 151 151 A E H <5S+ 0 0 88 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.650 122.9 34.9 -76.0 -16.0 -17.8 -4.4 -3.9 152 152 A G H <5S- 0 0 35 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.2 0.857 134.6 -32.1-102.0 -75.9 -19.8 -1.3 -4.5 153 153 A A T <5S+ 0 0 81 -4,-1.6 -3,-0.2 -5,-0.1 -4,-0.1 0.214 99.9 98.2-144.2 13.6 -21.7 -0.9 -7.7 154 154 A K T < 0 0 88 -5,-2.8 -4,-0.2 -6,-0.2 -3,-0.1 0.905 360.0 360.0 -71.5 -39.7 -19.9 -2.7 -10.5 155 155 A K < 0 0 177 -5,-0.6 -2,-0.1 -6,-0.3 -4,-0.1 0.868 360.0 360.0 -96.0 360.0 -22.2 -5.6 -10.0