==== 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 HYDROLASE 16-MAY-03 1PC8 . COMPND 2 MOLECULE: HIMALAYAN MISTLETOE RIBOSOME-INACTIVATING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR V.MISHRA,A.S.ETHAYATHULLA,M.PARAMASIVAM,G.SINGH,S.YADAV,P.KA . 495 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 23.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 1 0 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 8 4 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 2 2 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 Y 0 0 214 0, 0.0 49,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-106.0 58.8 71.4 31.2 2 2 A E - 0 0 46 93,-0.1 52,-0.4 47,-0.1 50,-0.0 0.176 360.0 -92.0 -82.5 14.4 58.4 68.3 29.0 3 3 A R - 0 0 181 50,-0.1 51,-1.9 52,-0.0 2,-0.0 0.943 42.6-140.9 75.3 91.5 56.8 70.5 26.3 4 4 A L - 0 0 50 49,-0.1 2,-0.3 51,-0.1 51,-0.2 -0.134 2.4-146.0 -62.4 168.3 53.0 71.0 26.1 5 5 A D - 0 0 27 49,-0.4 51,-3.2 48,-0.1 2,-0.3 -0.963 10.6-153.2-141.1 122.8 50.7 71.2 23.0 6 6 A L E +a 56 0A 103 -2,-0.3 51,-0.2 49,-0.2 2,-0.1 -0.747 19.1 168.5 -97.5 147.7 47.7 73.5 23.0 7 7 A D E -a 57 0A 19 49,-1.1 51,-1.0 -2,-0.3 2,-0.2 -0.555 24.0-151.7-157.4 82.6 44.7 72.7 20.9 8 8 A V E -a 58 0A 93 49,-0.2 2,-0.6 -2,-0.1 51,-0.2 -0.497 22.0-161.3 -62.9 121.7 41.7 74.8 21.7 9 9 A T + 0 0 6 49,-2.4 51,-0.3 -2,-0.2 2,-0.2 -0.950 40.0 103.6-123.7 102.7 39.1 72.3 20.6 10 10 A S S S- 0 0 28 -2,-0.6 2,-1.9 49,-0.2 121,-0.1 -0.527 94.6 -28.2-149.9-145.4 35.6 73.7 19.9 11 11 A Q S S+ 0 0 112 -2,-0.2 -2,-0.0 1,-0.0 163,-0.0 -0.610 97.7 135.4 -86.7 85.1 33.9 74.3 16.7 12 12 A T - 0 0 39 -2,-1.9 2,-0.3 1,-0.1 -3,-0.1 0.301 48.7 -80.0-104.0-136.9 37.3 74.9 15.0 13 13 A T > - 0 0 44 1,-0.1 4,-0.6 164,-0.0 -1,-0.1 -0.854 20.7-115.8-138.8 176.0 38.7 73.7 11.6 14 14 A G H >> S+ 0 0 0 -2,-0.3 4,-1.8 2,-0.2 3,-0.6 0.909 109.5 52.0 -79.4 -48.5 40.3 70.9 9.8 15 15 A E H >> S+ 0 0 108 1,-0.3 4,-2.8 2,-0.2 3,-1.0 0.970 105.1 56.7 -51.8 -55.4 43.6 72.4 9.1 16 16 A E H 3> S+ 0 0 95 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.850 108.1 50.1 -44.7 -37.3 44.1 73.4 12.7 17 17 A Y H X S+ 0 0 33 -4,-3.4 3,-1.6 -5,-0.2 4,-1.1 0.988 111.8 46.2 -53.0 -67.7 54.2 63.8 14.8 26 26 A D H >< S+ 0 0 99 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.882 109.3 53.7 -36.2 -64.6 57.4 65.8 14.4 27 27 A Y H 3< S+ 0 0 74 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 111.2 43.3 -53.6 -26.7 58.2 66.1 18.0 28 28 A V H << S+ 0 0 1 -3,-1.6 13,-0.7 -4,-1.2 2,-0.7 0.574 86.1 112.9 -98.2 -6.5 58.1 62.4 18.8 29 29 A S E << -F 40 0B 31 -3,-1.8 11,-0.2 -4,-1.1 42,-0.0 -0.535 63.1-145.4 -74.3 110.1 60.0 61.4 15.7 30 30 A S E - 0 0 30 9,-1.2 -1,-0.2 -2,-0.7 10,-0.2 0.575 37.1-121.8 -50.2 -10.0 63.4 60.0 16.6 31 31 A G E S+ 0 0 55 8,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.649 80.3 108.8 74.5 12.5 64.7 61.6 13.4 32 32 A S E -F 39 0B 67 7,-0.5 7,-2.8 2,-0.0 -1,-0.3 -0.951 51.2-161.5-121.9 146.4 65.8 58.1 12.1 33 33 A F - 0 0 120 -2,-0.4 2,-0.1 5,-0.2 7,-0.0 -0.279 16.4-152.3-114.7-167.6 64.1 56.2 9.4 34 34 A S S S- 0 0 23 3,-0.5 -2,-0.0 -2,-0.1 0, 0.0 -0.471 87.5 -14.7-170.3 94.3 63.8 52.8 7.9 35 35 A N S S- 0 0 67 1,-0.2 166,-0.0 -2,-0.1 195,-0.0 0.853 129.1 -58.0 70.4 31.2 63.0 52.3 4.3 36 36 A E S S+ 0 0 149 1,-0.2 420,-0.2 419,-0.0 -1,-0.2 0.835 113.5 112.2 65.9 39.6 62.1 55.9 4.3 37 37 A I S S- 0 0 0 163,-0.0 -3,-0.5 419,-0.0 -1,-0.2 -0.988 71.4-107.0-133.6 128.2 59.4 55.8 7.0 38 38 A P - 0 0 17 0, 0.0 198,-1.9 0, 0.0 2,-0.3 -0.211 27.5-144.1 -59.1 148.2 60.2 57.5 10.3 39 39 A L E -Fg 32 236B 8 -7,-2.8 -9,-1.2 196,-0.2 -7,-0.5 -0.782 7.6-131.1-112.8 150.1 61.0 55.8 13.5 40 40 A L E -F 29 0B 0 196,-1.2 -11,-0.1 -2,-0.3 32,-0.1 -0.439 48.1 -72.9 -87.9 172.4 60.1 56.6 17.1 41 41 A R - 0 0 101 -13,-0.7 197,-0.4 30,-0.3 -1,-0.2 -0.178 64.1 -79.8 -65.5 159.1 62.7 56.7 19.8 42 42 A Q - 0 0 123 1,-0.1 -1,-0.1 -3,-0.1 30,-0.1 -0.337 31.6-122.7 -65.5 138.2 64.1 53.4 21.2 43 43 A S S S+ 0 0 93 195,-0.1 -1,-0.1 1,-0.1 29,-0.1 0.734 101.1 60.5 -52.1 -27.4 62.1 51.4 23.8 44 44 A G S S+ 0 0 53 1,-0.0 -1,-0.1 28,-0.0 28,-0.1 0.980 80.0 64.6 -64.3 -93.1 65.2 51.7 26.1 45 45 A G S S+ 0 0 65 2,-0.1 2,-0.3 1,-0.0 -1,-0.0 -0.126 77.1 124.7 -44.0 118.2 66.4 55.1 27.2 46 46 A G + 0 0 20 1,-0.1 4,-0.1 26,-0.0 -3,-0.0 -1.000 21.0 60.4-171.9 168.6 63.7 56.7 29.3 47 47 A V S S+ 0 0 88 -2,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.280 92.0 82.2 89.5 0.3 62.0 58.3 32.3 48 48 A E S S- 0 0 120 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.836 95.5 -16.3 -95.2 -91.9 64.4 61.3 32.2 49 49 A A S > S- 0 0 62 1,-0.1 2,-2.1 2,-0.1 3,-0.7 0.469 121.4 -1.1 -91.0-133.4 63.6 64.1 29.7 50 50 A A T 3 S+ 0 0 26 1,-0.3 21,-0.1 -49,-0.1 -1,-0.1 0.258 87.5 119.6 -50.3 18.8 61.4 64.4 26.7 51 51 A R T 3 S+ 0 0 31 -2,-2.1 20,-1.3 20,-0.1 21,-0.5 0.705 74.7 52.4 -59.6 -16.8 60.4 60.7 27.2 52 52 A F E < S- B 0 70A 7 -3,-0.7 2,-0.4 18,-0.2 18,-0.2 -0.971 72.3-154.6-127.1 140.9 57.0 62.2 27.6 53 53 A V E - B 0 69A 2 16,-2.6 16,-2.4 -2,-0.4 2,-0.6 -0.893 15.7-138.4-112.9 141.5 55.0 64.5 25.3 54 54 A L E - B 0 68A 6 -51,-1.9 2,-0.5 -52,-0.4 -49,-0.4 -0.844 17.4-177.3-111.5 117.4 52.3 66.8 26.6 55 55 A V E - B 0 67A 2 12,-2.5 12,-4.4 -2,-0.6 2,-0.5 -0.899 6.1-167.1-111.1 131.2 49.0 67.4 24.9 56 56 A E E -aB 6 66A 40 -51,-3.2 -49,-1.1 -2,-0.5 2,-0.4 -0.961 2.2-168.8-120.1 111.2 46.5 69.8 26.4 57 57 A L E -aB 7 65A 2 8,-1.8 8,-2.5 -2,-0.5 2,-0.3 -0.788 5.1-176.8 -99.0 143.5 43.0 69.9 25.1 58 58 A T E -aB 8 64A 22 -51,-1.0 -49,-2.4 -2,-0.4 6,-0.2 -0.938 10.5-149.5-145.5 120.8 40.7 72.7 26.1 59 59 A N > - 0 0 8 4,-1.9 3,-0.8 -2,-0.3 -49,-0.2 0.006 42.5 -77.6 -78.8-175.8 37.0 73.0 25.2 60 60 A E T 3 S+ 0 0 140 -51,-0.3 2,-0.6 1,-0.3 -50,-0.1 0.874 127.5 47.6 -46.6 -43.0 34.5 75.8 24.5 61 61 A G T 3 S- 0 0 46 2,-0.1 2,-3.1 1,-0.1 -1,-0.3 -0.543 113.7-100.4-111.7 67.5 34.3 76.2 28.3 62 62 A G S < S+ 0 0 58 -3,-0.8 2,-0.2 -2,-0.6 -2,-0.1 0.334 74.8 139.0 48.3 -16.4 37.8 76.3 29.9 63 63 A D - 0 0 41 -2,-3.1 -4,-1.9 -5,-0.1 2,-0.4 -0.491 36.7-177.1 -57.1 122.9 37.4 72.7 30.9 64 64 A S E -B 58 0A 20 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.986 23.2-168.4-137.8 139.8 40.9 71.5 30.1 65 65 A I E -B 57 0A 2 -8,-2.5 -8,-1.8 -2,-0.4 2,-0.6 -0.915 11.2-153.6-120.1 149.9 43.0 68.4 30.2 66 66 A T E -BC 56 80A 12 14,-1.5 14,-1.6 -2,-0.3 2,-0.3 -0.973 21.1-160.9-121.6 112.2 46.6 67.8 29.9 67 67 A A E -BC 55 79A 2 -12,-4.4 -12,-2.5 -2,-0.6 2,-0.6 -0.747 9.0-140.4-100.4 143.7 47.3 64.3 28.5 68 68 A A E -BC 54 78A 0 10,-4.7 9,-1.5 -2,-0.3 10,-1.2 -0.887 17.4-170.4-105.1 124.1 50.5 62.4 28.8 69 69 A I E -BC 53 76A 2 -16,-2.4 -16,-2.6 -2,-0.6 2,-0.8 -0.937 25.2-122.3-117.7 138.8 51.8 60.4 25.8 70 70 A D E >>> -BC 52 75A 12 5,-2.9 3,-3.9 -2,-0.4 4,-1.6 -0.649 14.3-154.8 -80.2 101.2 54.7 58.0 25.8 71 71 A V T 345S+ 0 0 2 -20,-1.3 -30,-0.3 -2,-0.8 -1,-0.2 0.836 91.8 67.8 -47.9 -34.0 57.2 59.1 23.2 72 72 A T T 345S- 0 0 11 -21,-0.5 166,-0.4 1,-0.2 -1,-0.3 0.758 130.1 -10.1 -62.7 -21.2 58.4 55.6 23.0 73 73 A N T <45S- 0 0 29 -3,-3.9 -2,-0.2 2,-0.2 -1,-0.2 0.272 86.3-106.7-166.4 30.5 55.1 54.5 21.5 74 74 A L T <5 + 0 0 3 -4,-1.6 -3,-0.1 1,-0.2 84,-0.1 0.599 66.1 150.0 51.9 11.5 52.2 57.1 21.5 75 75 A Y E < -C 70 0A 105 -5,-0.6 -5,-2.9 1,-0.1 2,-0.9 -0.491 53.3-120.8 -70.7 148.6 50.5 55.2 24.3 76 76 A V E +C 69 0A 13 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.833 34.9 177.3 -91.7 104.1 48.4 57.5 26.5 77 77 A V E - 0 0 15 -9,-1.5 11,-2.1 -2,-0.9 13,-0.3 0.934 54.3 -41.8 -74.6 -47.9 50.0 56.9 29.9 78 78 A A E -CD 68 87A 2 -10,-1.2 -10,-4.7 9,-0.2 2,-0.3 -0.977 45.3-150.5-168.7 176.7 47.9 59.4 31.8 79 79 A Y E -CD 67 86A 6 7,-1.6 7,-3.3 -2,-0.3 2,-0.3 -0.947 13.6-132.0-154.2 175.1 46.3 62.8 32.2 80 80 A Q E -C 66 0A 37 -14,-1.6 -14,-1.5 -2,-0.3 5,-0.2 -0.974 9.3-169.5-139.7 144.5 45.3 65.3 34.7 81 81 A A - 0 0 8 -2,-0.3 -1,-0.1 -16,-0.2 57,-0.1 0.586 68.9 -35.8 -97.9-111.7 42.1 67.3 35.4 82 82 A G S S- 0 0 30 56,-0.3 57,-0.0 1,-0.1 -2,-0.0 0.951 127.4 -26.0 -81.5 -77.1 42.2 70.1 37.9 83 83 A S S S+ 0 0 80 2,-0.1 17,-2.4 16,-0.0 2,-0.1 0.039 124.1 96.3-120.1 15.2 44.5 69.0 40.6 84 84 A Q B -h 100 0C 71 15,-0.2 2,-0.3 54,-0.1 17,-0.1 -0.311 53.8-165.2-100.6-174.4 43.8 65.5 39.9 85 85 A S - 0 0 0 15,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.949 7.1-153.0-163.5 153.9 45.7 63.0 37.8 86 86 A Y E -D 79 0A 35 -7,-3.3 -7,-1.6 -2,-0.3 2,-0.4 -0.922 10.1-168.1-143.6 117.0 44.8 59.6 36.4 87 87 A F E -De 78 103A 31 15,-2.0 17,-2.3 -2,-0.4 -9,-0.2 -0.845 3.8-160.9-105.2 137.0 47.4 56.9 35.6 88 88 A L - 0 0 18 -11,-2.1 19,-0.2 -2,-0.4 -1,-0.1 0.317 56.9 -64.0 -86.1-137.9 46.8 53.8 33.6 89 89 A S S S+ 0 0 81 17,-0.5 18,-0.1 14,-0.1 -12,-0.1 0.022 90.4 135.7-103.0 26.4 49.1 50.8 33.9 90 90 A G - 0 0 52 -13,-0.3 -3,-0.0 -14,-0.1 -14,-0.0 0.657 57.4 -74.4 -48.8-150.9 52.1 52.6 32.4 91 91 A P S S- 0 0 73 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.987 89.7 -17.0 -89.0 -80.2 55.8 52.8 33.4 92 92 A G S S- 0 0 34 1,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.392 79.9-124.8-139.4 56.2 57.4 54.7 36.4 93 93 A T + 0 0 68 1,-0.1 -1,-0.4 2,-0.1 -46,-0.0 0.207 66.0 85.9 50.2-154.7 54.8 57.2 37.6 94 94 A H + 0 0 120 2,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.033 26.6 130.1 53.9-153.4 55.2 60.9 38.1 95 95 A L S S+ 0 0 26 -43,-0.0 2,-0.3 -17,-0.0 -1,-0.1 0.407 74.2 62.9 88.9 -8.3 54.6 63.2 35.2 96 96 A F - 0 0 20 3,-0.1 2,-0.4 -11,-0.0 3,-0.3 -0.847 68.9-165.6-149.7 118.6 52.3 65.4 37.3 97 97 A T + 0 0 133 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.867 69.0 18.0-108.7 134.8 53.6 67.2 40.3 98 98 A G S S+ 0 0 85 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.502 104.4 100.3 90.5 7.0 51.5 68.8 43.1 99 99 A T S S- 0 0 23 -3,-0.3 2,-0.6 -15,-0.0 -1,-0.4 -0.813 79.7 -92.6-123.3 165.8 48.5 66.9 42.1 100 100 A T B -h 84 0C 75 -17,-2.4 -15,-0.6 -2,-0.3 2,-0.1 -0.665 31.9-136.1 -91.2 120.2 46.8 63.8 43.4 101 101 A R + 0 0 146 -2,-0.6 2,-0.3 -17,-0.1 -15,-0.1 -0.360 31.7 163.4 -68.5 136.4 47.7 60.4 42.0 102 102 A S - 0 0 39 -2,-0.1 -15,-2.0 -18,-0.0 2,-0.4 -0.946 25.2-134.2-149.3 158.4 44.8 58.1 41.4 103 103 A S B -e 87 0A 98 -2,-0.3 -15,-0.2 -17,-0.2 -17,-0.1 -0.936 3.8-146.0-136.0 124.1 44.9 55.0 39.2 104 104 A L - 0 0 14 -17,-2.3 -17,-0.0 -2,-0.4 -18,-0.0 -0.301 22.8-124.5 -78.4 162.8 42.7 53.5 36.5 105 105 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.085 82.3 50.4 -92.5 20.4 42.1 49.8 36.0 106 106 A F - 0 0 0 9,-0.0 -17,-0.5 10,-0.0 2,-0.2 -0.866 60.0-145.6-146.6 176.4 43.1 49.6 32.3 107 107 A N - 0 0 54 -2,-0.3 -30,-0.0 -19,-0.2 -17,-0.0 -0.384 42.4 -90.6-125.8-153.8 45.8 50.5 29.8 108 108 A G S S+ 0 0 19 -2,-0.2 -31,-0.0 4,-0.1 -2,-0.0 0.432 80.6 120.6-106.4 0.7 45.7 51.4 26.1 109 109 A S S >> S- 0 0 39 2,-0.1 4,-2.1 4,-0.0 3,-1.0 -0.216 73.3-105.9 -67.2 157.9 46.0 47.9 24.7 110 110 A Y H 3> S+ 0 0 121 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.935 112.2 37.1 -50.5 -73.4 43.3 46.4 22.4 111 111 A P H 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.520 117.2 55.2 -65.0 -3.3 41.5 43.8 24.6 112 112 A D H X> S+ 0 0 29 -3,-1.0 3,-1.3 2,-0.1 4,-1.2 0.895 109.7 37.7 -91.0 -54.0 41.8 46.0 27.7 113 113 A L H 3X S+ 0 0 1 -4,-2.1 4,-1.5 -3,-0.3 5,-0.3 0.844 110.3 59.3 -71.8 -31.1 40.2 49.2 26.7 114 114 A E H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 0.446 104.8 57.6 -75.6 0.5 37.5 47.7 24.6 115 115 A Q H <4 S+ 0 0 138 -3,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.903 113.5 29.5 -90.7 -59.3 36.5 46.0 27.8 116 116 A Y H < S+ 0 0 98 -4,-1.2 32,-0.3 1,-0.2 -2,-0.2 0.579 133.3 35.3 -82.8 -13.5 35.8 48.8 30.2 117 117 A A S < S- 0 0 3 -4,-1.5 -1,-0.2 -5,-0.2 -3,-0.2 0.500 108.8-120.1-117.2 -10.2 34.8 51.2 27.5 118 118 A G - 0 0 22 -5,-0.3 -1,-0.2 3,-0.0 -3,-0.1 -0.098 53.1 -23.3 91.4 170.3 33.0 48.9 25.1 119 119 A H > - 0 0 79 1,-0.1 3,-1.2 -4,-0.1 -4,-0.0 -0.231 44.0-148.0 -59.1 132.2 33.5 48.0 21.4 120 120 A R G > S+ 0 0 25 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.817 94.1 74.4 -69.2 -27.2 35.4 50.5 19.3 121 121 A K G 3 S+ 0 0 101 1,-0.3 -1,-0.3 60,-0.1 -2,-0.1 0.291 103.5 38.6 -72.6 8.9 33.3 49.5 16.4 122 122 A Q G < S+ 0 0 129 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.1 -0.109 88.4 101.5-149.7 46.6 30.4 51.4 17.9 123 123 A I < - 0 0 8 -3,-1.4 57,-0.1 -5,-0.0 -1,-0.0 -0.856 64.2-133.1-135.7 102.7 31.9 54.6 19.4 124 124 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.112 16.5-162.4 -54.0 145.9 31.4 57.8 17.4 125 125 A L + 0 0 3 55,-2.8 55,-0.4 30,-0.0 2,-0.2 -0.791 32.6 113.8-123.2 164.7 34.2 60.2 16.8 126 126 A G S > S- 0 0 0 -2,-0.3 4,-1.3 53,-0.2 53,-0.2 -0.855 79.8 -69.9 152.3 174.1 33.9 63.8 15.7 127 127 A I H >> S+ 0 0 7 51,-0.5 4,-2.7 -2,-0.2 3,-1.5 0.987 131.0 52.8 -58.1 -55.7 34.5 67.3 17.2 128 128 A D H 3> S+ 0 0 61 1,-0.3 4,-3.8 2,-0.2 5,-0.4 0.925 104.1 53.6 -42.1 -63.6 31.7 66.8 19.6 129 129 A Q H 3> S+ 0 0 21 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.790 111.4 49.9 -46.9 -28.4 33.0 63.5 20.9 130 130 A L H XX S+ 0 0 7 -3,-1.5 4,-2.2 -4,-1.3 3,-1.0 0.954 113.7 41.5 -75.8 -50.5 36.2 65.4 21.5 131 131 A I H 3X S+ 0 0 19 -4,-2.7 4,-1.5 1,-0.3 -2,-0.2 0.913 111.6 57.0 -65.5 -32.9 34.6 68.3 23.3 132 132 A Q H 3X S+ 0 0 122 -4,-3.8 4,-1.8 -5,-0.3 -1,-0.3 0.758 108.5 50.0 -70.3 -17.6 32.3 65.9 25.2 133 133 A S H X S+ 0 0 51 -4,-1.5 3,-2.8 -5,-0.2 4,-0.9 0.984 116.5 44.5 -70.8 -67.2 34.5 67.8 29.8 136 136 A A H 3< S+ 0 0 33 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.681 117.8 49.9 -57.7 -14.8 33.5 64.4 30.8 137 137 A L H 3< S+ 0 0 1 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.616 97.3 63.4 -93.4 -20.0 37.1 63.8 31.4 138 138 A R H << S+ 0 0 76 -3,-2.8 -56,-0.3 -4,-0.8 -2,-0.2 0.562 115.4 41.4 -75.4 -7.7 37.7 66.8 33.5 139 139 A F S < S- 0 0 94 -4,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.759 78.7-107.7-136.2 176.4 35.2 65.0 35.8 140 140 A P + 0 0 89 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.976 48.4 118.1 -46.4-128.5 34.0 61.8 37.4 141 141 A G S S- 0 0 67 4,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.379 83.5 -12.5 70.0 -63.8 31.2 59.4 37.2 142 142 A N >> - 0 0 98 -2,-2.1 4,-2.1 1,-0.1 3,-1.8 -0.839 47.7-125.7-173.0 128.1 32.6 56.1 36.3 143 143 A T H 3> S+ 0 0 48 1,-0.3 4,-3.1 -2,-0.3 5,-0.3 0.926 114.7 67.1 -42.0 -37.6 35.9 54.5 35.0 144 144 A R H 3> S+ 0 0 145 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.931 104.8 37.9 -50.3 -48.5 33.5 53.2 32.4 145 145 A T H <> S+ 0 0 39 -3,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.782 113.8 56.7 -74.4 -26.1 33.0 56.7 31.1 146 146 A Q H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.980 106.1 50.9 -65.8 -54.6 36.6 57.7 31.6 147 147 A A H >X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 3,-0.5 0.942 107.7 51.0 -42.8 -67.8 37.7 54.8 29.4 148 148 A R H 3X S+ 0 0 81 -4,-1.8 4,-2.7 -32,-0.3 -1,-0.2 0.889 111.6 47.5 -40.9 -57.4 35.4 55.7 26.6 149 149 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.3 0.877 114.1 47.2 -56.5 -41.0 36.6 59.3 26.5 150 150 A I H <>S+ 0 0 21 -4,-2.4 3,-1.3 2,-0.2 5,-1.2 0.951 112.5 44.5 -53.5 -60.8 43.6 57.8 21.6 155 155 A Q H 3<>S+ 0 0 4 -4,-1.9 5,-1.4 1,-0.3 -2,-0.2 0.891 115.0 46.1 -55.5 -49.1 42.0 57.4 18.1 156 156 A M H 3<5S+ 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.531 130.9 19.7 -76.2 -4.6 41.7 61.1 17.2 157 157 A I T >5S+ 0 0 0 -5,-0.4 3,-2.9 2,-0.2 4,-0.7 0.940 127.6 39.1 -43.7 -68.7 47.7 58.9 18.6 159 159 A E H >> S+ 0 0 11 68,-1.8 4,-2.5 -2,-0.4 5,-0.2 0.719 100.2 53.4 -51.1 -29.2 47.7 59.0 7.2 165 165 A P H > S+ 0 0 11 0, 0.0 4,-4.5 0, 0.0 5,-0.4 0.965 104.0 49.1 -64.8 -75.5 44.2 57.8 6.7 166 166 A I H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.815 121.0 41.5 -34.7 -41.9 42.9 58.1 10.2 167 167 A L H X S+ 0 0 0 -4,-2.2 4,-1.2 -8,-0.2 5,-0.4 0.989 116.4 45.2 -64.6 -68.0 44.3 61.6 10.1 168 168 A W H X S+ 0 0 13 -4,-2.5 4,-1.0 1,-0.3 -2,-0.2 0.833 117.6 51.8 -48.5 -29.7 43.2 62.4 6.6 169 169 A R H X S+ 0 0 45 -4,-4.5 4,-1.4 2,-0.2 3,-0.4 0.969 106.8 44.3 -73.9 -58.0 40.0 61.0 7.6 170 170 A A H >X S+ 0 0 2 -4,-2.5 3,-2.3 -5,-0.4 4,-2.2 0.979 108.3 57.7 -53.0 -65.5 39.1 62.7 10.8 171 171 A R H 3X S+ 0 0 32 -4,-1.2 4,-1.1 1,-0.3 -1,-0.3 0.759 101.1 58.2 -34.3 -44.4 40.0 66.1 9.6 172 172 A Q H >X S+ 0 0 61 -4,-1.0 4,-1.6 -3,-0.4 3,-0.6 0.933 112.7 39.3 -55.2 -46.7 37.5 65.6 6.7 173 173 A Y H S+ 0 0 64 -3,-2.3 4,-2.3 -4,-1.4 5,-0.8 0.866 105.0 67.2 -71.5 -33.9 34.7 65.1 9.3 174 174 A I H 3<5S+ 0 0 8 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.776 105.1 47.0 -59.6 -20.4 36.1 67.8 11.5 175 175 A N H <<5S+ 0 0 87 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.949 112.4 43.1 -83.9 -58.6 35.1 70.1 8.7 176 176 A S H <5S- 0 0 83 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.1 0.710 103.2-136.5 -57.3 -17.3 31.7 68.9 8.1 177 177 A G T <5 + 0 0 30 -4,-2.3 -49,-0.2 1,-0.2 -3,-0.2 0.633 58.4 135.6 68.9 12.4 31.4 68.8 11.8 178 178 A A < - 0 0 43 -5,-0.8 2,-0.5 -51,-0.1 -51,-0.5 -0.347 57.3-119.5 -84.9 174.3 29.7 65.4 11.6 179 179 A S - 0 0 53 -53,-0.2 -53,-0.2 -3,-0.1 2,-0.1 -0.951 32.5-171.0-125.2 109.5 30.4 62.5 13.7 180 180 A F - 0 0 14 -2,-0.5 -55,-2.8 -55,-0.4 -10,-0.0 -0.437 16.6-132.3 -98.9 168.5 31.6 59.3 12.0 181 181 A L - 0 0 83 -57,-0.2 -60,-0.1 -2,-0.1 -61,-0.0 -0.931 38.7 -92.6-121.3 140.8 32.3 55.7 13.1 182 182 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -59,-0.0 -0.235 36.3-134.2 -58.7 135.5 35.4 53.9 12.2 183 183 A D > - 0 0 65 1,-0.1 4,-1.7 4,-0.0 3,-0.3 -0.704 26.7-108.6 -90.5 141.4 35.4 51.8 9.1 184 184 A V H > S+ 0 0 79 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.822 119.1 59.6 -35.3 -46.3 36.7 48.3 9.2 185 185 A Y H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.972 106.8 47.5 -46.8 -64.8 39.8 49.4 7.2 186 186 A M H >> S+ 0 0 5 -3,-0.3 4,-2.3 1,-0.3 3,-1.0 0.882 111.1 50.5 -40.4 -56.5 40.6 51.9 9.9 187 187 A L H 3X S+ 0 0 28 -4,-1.7 4,-1.3 1,-0.3 -1,-0.3 0.958 105.8 55.0 -51.5 -51.1 40.2 49.4 12.6 188 188 A E H 3X S+ 0 0 55 -4,-3.2 4,-1.6 -3,-0.3 -1,-0.3 0.802 107.6 51.0 -60.0 -24.0 42.3 46.9 10.9 189 189 A L H << S+ 0 0 2 -4,-1.6 4,-0.5 -3,-1.0 -1,-0.3 0.951 99.8 63.6 -73.6 -44.1 45.1 49.5 10.8 190 190 A E H < S+ 0 0 27 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.777 114.8 32.1 -51.5 -30.7 44.8 50.3 14.5 191 191 A T H >< S+ 0 0 81 -4,-1.3 3,-0.5 1,-0.2 4,-0.4 0.761 107.5 65.6-100.0 -27.5 45.8 46.8 15.3 192 192 A S T 3X S+ 0 0 7 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.282 75.9 100.1 -80.0 16.2 48.2 46.0 12.4 193 193 A W H 3> S+ 0 0 12 -4,-0.5 4,-3.2 -3,-0.2 5,-0.3 0.966 78.4 46.0 -65.5 -57.7 50.7 48.6 13.6 194 194 A G H <> S+ 0 0 28 -3,-0.5 4,-4.0 2,-0.2 5,-0.3 0.976 118.3 42.8 -51.1 -57.6 53.2 46.5 15.5 195 195 A Q H > S+ 0 0 121 -4,-0.4 4,-5.5 2,-0.2 5,-0.3 0.971 114.7 49.2 -52.9 -61.1 53.3 44.0 12.7 196 196 A Q H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.935 115.2 45.6 -43.1 -60.4 53.5 46.6 10.0 197 197 A S H >X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 3,-0.7 0.946 116.8 44.5 -46.0 -62.1 56.2 48.4 11.9 198 198 A T H >X S+ 0 0 41 -4,-4.0 4,-3.2 -5,-0.3 3,-0.7 0.953 113.9 51.6 -48.5 -51.4 57.9 45.1 12.4 199 199 A Q H 3< S+ 0 0 17 -4,-5.5 10,-0.3 1,-0.3 -1,-0.2 0.790 108.8 47.9 -67.6 -23.9 57.4 44.1 8.9 200 200 A V H << S+ 0 0 0 -4,-2.6 -1,-0.3 -3,-0.7 3,-0.2 0.769 116.1 45.6 -84.2 -21.5 58.8 47.2 7.3 201 201 A Q H << S+ 0 0 6 -4,-1.7 -2,-0.2 -3,-0.7 -3,-0.2 0.872 113.2 45.4 -89.4 -39.4 61.8 47.1 9.5 202 202 A Q S < S+ 0 0 58 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.1 0.287 87.1 131.2 -87.3 17.6 62.7 43.5 9.2 203 203 A S - 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