==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-07 2R2X . COMPND 2 MOLECULE: RICIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR J.H.CARRA,C.A.MCHUGH,S.MULLIGAN,L.M.MACHIESKY,A.S.SOARES, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 1 0 0 0 2 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 2 1 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 . 1 1 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 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 6 A Y 0 0 90 0, 0.0 52,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 139.9 12.2 43.2 45.3 2 7 A P - 0 0 46 0, 0.0 52,-3.0 0, 0.0 2,-0.4 -0.224 360.0-152.6 -58.1 145.2 15.7 42.2 46.5 3 8 A I E -a 54 0A 92 50,-0.2 2,-0.5 52,-0.1 52,-0.2 -0.984 9.3-168.4-126.6 125.3 18.1 40.9 43.8 4 9 A I E -a 55 0A 14 50,-2.7 52,-2.4 -2,-0.4 2,-0.3 -0.939 16.9-145.9-111.0 134.2 20.9 38.4 44.5 5 10 A N E +a 56 0A 95 -2,-0.5 2,-0.3 50,-0.2 52,-0.2 -0.764 22.9 163.7-105.3 147.9 23.5 37.9 41.7 6 11 A F E -a 57 0A 15 50,-1.8 52,-2.1 -2,-0.3 2,-0.4 -0.973 13.4-164.9-157.2 142.3 25.4 34.8 40.6 7 12 A T E -a 58 0A 52 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.996 20.8-151.4-134.5 139.8 27.3 33.7 37.6 8 13 A T S > S+ 0 0 1 50,-2.0 3,-1.9 -2,-0.4 2,-0.6 0.659 70.4 110.6 -76.4 -17.9 28.6 30.3 36.5 9 14 A A T 3 S- 0 0 38 1,-0.3 -2,-0.1 49,-0.3 49,-0.0 -0.447 104.3 -16.6 -63.3 108.9 31.4 32.1 34.7 10 15 A G T 3 S- 0 0 74 -2,-0.6 -1,-0.3 1,-0.2 5,-0.1 0.805 94.0-178.9 63.9 30.0 34.5 31.2 36.7 11 16 A A < - 0 0 18 -3,-1.9 2,-0.3 4,-0.1 -1,-0.2 -0.315 4.6-171.3 -62.8 141.6 32.4 30.0 39.6 12 17 A T > - 0 0 74 1,-0.1 4,-2.7 -2,-0.0 5,-0.3 -0.846 41.2-100.9-128.4 167.8 34.2 28.8 42.7 13 18 A V H > S+ 0 0 16 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.916 124.7 49.2 -53.5 -41.4 33.1 27.1 45.9 14 19 A Q H > S+ 0 0 107 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.942 109.4 47.8 -65.8 -50.2 33.4 30.5 47.6 15 20 A S H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 116.1 45.5 -58.9 -43.4 31.4 32.5 45.0 16 21 A Y H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.927 113.0 50.9 -64.9 -42.6 28.7 29.9 45.1 17 22 A T H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.897 110.1 48.5 -62.0 -42.5 28.8 29.8 48.9 18 23 A N H X S+ 0 0 84 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.919 111.8 53.2 -63.1 -41.4 28.5 33.6 49.2 19 24 A F H X S+ 0 0 6 -4,-2.2 4,-2.0 -5,-0.3 3,-0.3 0.977 109.3 43.7 -56.2 -63.7 25.6 33.3 46.7 20 25 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.866 112.4 55.8 -52.0 -38.4 23.5 30.8 48.6 21 26 A R H X S+ 0 0 141 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.926 107.1 48.1 -61.3 -46.4 24.2 32.6 51.9 22 27 A A H X S+ 0 0 45 -4,-2.2 4,-1.3 -3,-0.3 -1,-0.2 0.840 109.4 54.3 -64.8 -33.0 22.8 35.9 50.5 23 28 A V H >X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.5 0.953 108.1 47.7 -66.9 -47.8 19.8 34.0 49.2 24 29 A R H 3X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.876 108.5 56.4 -59.6 -36.8 19.0 32.6 52.6 25 30 A G H 3< S+ 0 0 52 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.842 112.3 41.5 -64.6 -32.5 19.5 36.0 54.1 26 31 A R H << S+ 0 0 153 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.715 112.9 53.9 -86.6 -22.6 16.8 37.4 51.8 27 32 A L H < S+ 0 0 2 -4,-2.1 2,-0.2 -5,-0.1 -2,-0.2 0.934 112.5 41.2 -76.6 -45.4 14.5 34.4 52.2 28 33 A T < - 0 0 22 -4,-2.6 12,-0.1 -5,-0.2 44,-0.0 -0.664 59.7-155.5-104.0 159.3 14.4 34.6 56.0 29 34 A T - 0 0 110 10,-0.4 -1,-0.1 -2,-0.2 11,-0.1 0.532 43.6-117.6-105.3 -14.1 14.1 37.6 58.4 30 35 A G S S+ 0 0 55 9,-0.3 3,-0.1 2,-0.2 10,-0.1 0.608 88.2 110.1 84.6 11.8 15.7 35.9 61.4 31 36 A A S S+ 0 0 89 1,-0.2 2,-0.6 8,-0.2 -3,-0.0 0.864 72.0 50.3 -83.8 -40.5 12.4 36.3 63.3 32 37 A D + 0 0 33 7,-0.4 7,-2.7 2,-0.0 2,-0.4 -0.896 64.5 152.3-107.5 112.4 11.5 32.6 63.3 33 38 A V E -F 38 0B 77 -2,-0.6 2,-0.4 5,-0.2 0, 0.0 -0.992 15.8-176.0-139.9 128.9 14.2 30.1 64.5 34 39 A R E > S-F 37 0B 17 3,-2.6 3,-1.3 -2,-0.4 180,-0.0 -0.982 72.7 -12.0-132.6 123.5 13.5 26.8 66.1 35 40 A H T 3 S- 0 0 78 -2,-0.4 -1,-0.1 1,-0.3 209,-0.1 0.805 130.8 -54.5 60.4 29.8 16.0 24.4 67.4 36 41 A E T 3 S+ 0 0 149 1,-0.2 -1,-0.3 208,-0.0 -3,-0.0 0.617 115.2 119.0 79.2 16.1 18.6 26.5 65.6 37 42 A I E < -F 34 0B 0 -3,-1.3 -3,-2.6 212,-0.0 -1,-0.2 -0.954 62.4-128.5-118.6 122.8 16.9 26.2 62.3 38 43 A P E -F 33 0B 39 0, 0.0 212,-1.9 0, 0.0 2,-0.4 -0.391 19.4-149.4 -67.0 139.1 15.5 29.3 60.4 39 44 A V B -g 250 0C 5 -7,-2.7 -7,-0.4 210,-0.2 -10,-0.4 -0.900 19.0-115.6-110.5 140.1 11.9 29.1 59.3 40 45 A L - 0 0 0 210,-3.6 32,-0.1 -2,-0.4 -12,-0.1 -0.312 48.6 -79.5 -67.5 157.8 10.6 30.9 56.2 41 46 A P - 0 0 23 0, 0.0 211,-0.3 0, 0.0 2,-0.2 -0.293 51.3-106.8 -59.2 140.5 8.1 33.7 56.7 42 47 A N - 0 0 53 1,-0.1 4,-0.1 2,-0.1 30,-0.1 -0.461 19.9-139.7 -67.7 136.4 4.5 32.5 57.2 43 48 A R S > S+ 0 0 116 209,-0.2 3,-1.7 29,-0.2 2,-0.5 0.810 76.6 98.3 -69.7 -28.1 2.4 33.2 54.1 44 49 A V T 3 S- 0 0 125 1,-0.3 -2,-0.1 -3,-0.0 -1,-0.0 -0.477 103.1 -4.5 -68.4 114.8 -0.6 34.2 56.2 45 50 A G T 3 S+ 0 0 73 -2,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.549 89.3 152.9 82.9 8.8 -0.7 38.0 56.4 46 51 A L < - 0 0 41 -3,-1.7 -1,-0.3 1,-0.1 5,-0.1 -0.600 48.5-119.3 -76.2 121.8 2.5 38.5 54.5 47 52 A P > - 0 0 63 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.323 16.5-126.7 -58.5 138.7 2.5 41.9 52.7 48 53 A I G > S+ 0 0 55 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.798 106.3 68.2 -59.2 -28.3 2.9 41.5 48.9 49 54 A N G 3 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.422 107.3 39.7 -73.7 6.1 5.9 44.0 48.9 50 55 A Q G < S+ 0 0 105 -3,-1.8 -1,-0.3 -49,-0.1 -2,-0.2 0.136 88.4 100.7-135.1 15.2 7.8 41.3 50.8 51 56 A R S < S+ 0 0 17 -3,-1.6 20,-2.4 19,-0.1 21,-0.4 0.826 79.8 29.6 -76.2 -33.8 6.6 38.2 48.9 52 57 A F E - B 0 70A 4 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.793 51.1-158.8-128.7 168.6 9.5 37.5 46.5 53 58 A I E - B 0 69A 2 16,-1.5 16,-2.6 -2,-0.3 2,-0.4 -0.944 23.2-131.8-136.3 154.2 13.2 37.8 45.9 54 59 A L E -aB 3 68A 21 -52,-3.0 -50,-2.7 -2,-0.3 2,-0.6 -0.909 8.8-159.5-115.2 141.6 14.9 37.7 42.5 55 60 A V E -aB 4 67A 0 12,-2.6 12,-3.4 -2,-0.4 2,-0.6 -0.952 10.6-156.6-119.3 107.9 17.9 35.6 41.6 56 61 A E E -aB 5 66A 61 -52,-2.4 -50,-1.8 -2,-0.6 2,-0.5 -0.775 11.4-163.7 -89.0 122.1 19.8 37.0 38.6 57 62 A L E +aB 6 65A 0 8,-3.8 8,-2.0 -2,-0.6 2,-0.3 -0.916 11.1 175.3-111.7 129.2 21.7 34.3 36.8 58 63 A S E -aB 7 64A 27 -52,-2.1 -50,-2.0 -2,-0.5 2,-0.3 -0.836 8.5-160.9-124.1 162.8 24.5 34.9 34.3 59 64 A N > - 0 0 2 4,-1.3 3,-2.6 -2,-0.3 4,-0.4 -0.935 39.4 -94.6-142.2 166.2 26.9 32.6 32.5 60 65 A H T 3 S+ 0 0 147 1,-0.3 -1,-0.0 -2,-0.3 80,-0.0 0.776 119.6 67.7 -49.3 -30.4 30.2 32.7 30.6 61 66 A A T 3 S- 0 0 53 79,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.350 115.9-117.0 -75.3 10.3 28.2 33.0 27.4 62 67 A E S < S+ 0 0 171 -3,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.775 70.7 134.3 60.1 30.5 27.3 36.5 28.7 63 68 A L - 0 0 16 -4,-0.4 -4,-1.3 2,-0.0 2,-0.3 -0.775 36.3-159.1-107.8 155.1 23.6 35.7 28.9 64 69 A S E +B 58 0A 42 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.978 16.8 170.6-138.8 152.7 21.2 36.4 31.8 65 70 A V E -B 57 0A 1 -8,-2.0 -8,-3.8 -2,-0.3 2,-0.5 -0.962 22.0-140.7-149.7 152.4 17.9 35.4 33.3 66 71 A T E -BC 56 80A 20 14,-2.1 14,-2.0 -2,-0.3 -10,-0.3 -0.976 11.6-151.4-125.4 122.1 16.3 36.3 36.6 67 72 A L E -BC 55 79A 0 -12,-3.4 -12,-2.6 -2,-0.5 2,-0.5 -0.633 7.9-143.9 -89.4 149.0 14.4 33.8 38.6 68 73 A A E -BC 54 78A 0 10,-2.5 9,-3.0 -2,-0.2 10,-0.8 -0.965 19.4-168.9-114.7 117.5 11.6 34.8 40.9 69 74 A L E -BC 53 76A 0 -16,-2.6 -16,-1.5 -2,-0.5 2,-0.6 -0.798 21.7-128.8-108.2 150.2 11.3 32.9 44.2 70 75 A D E >> -B 52 0A 4 5,-2.1 4,-2.9 -2,-0.3 3,-1.4 -0.860 14.0-148.8 -95.0 120.4 8.5 32.9 46.8 71 76 A V T 34 S+ 0 0 6 -20,-2.4 -1,-0.1 -2,-0.6 -19,-0.1 0.703 91.8 67.1 -63.2 -20.4 9.9 33.6 50.2 72 77 A T T 34 S+ 0 0 10 -21,-0.4 180,-0.5 1,-0.1 -1,-0.3 0.723 128.0 1.4 -74.1 -21.3 7.3 31.5 51.9 73 78 A N T <4 S- 0 0 41 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.379 90.1-119.7-144.9 0.0 8.6 28.3 50.4 74 79 A A < + 0 0 0 -4,-2.9 -3,-0.2 1,-0.2 100,-0.1 0.547 60.7 153.5 68.3 6.5 11.7 29.2 48.3 75 80 A Y - 0 0 118 -5,-0.5 -5,-2.1 -6,-0.1 2,-0.6 -0.336 50.2-119.6 -68.9 149.3 9.9 27.9 45.2 76 81 A V E +C 69 0A 11 -7,-0.2 -7,-0.2 40,-0.1 3,-0.1 -0.810 32.2 177.7 -87.9 120.4 10.8 29.2 41.7 77 82 A V E - 0 0 29 -9,-3.0 11,-2.2 -2,-0.6 2,-0.3 0.582 57.4 -43.3-101.3 -12.7 7.5 30.7 40.3 78 83 A G E -CD 68 87A 1 -10,-0.8 -10,-2.5 9,-0.3 -1,-0.3 -0.965 53.7-127.3 168.8-178.9 8.8 32.0 37.0 79 84 A Y E -CD 67 86A 0 7,-2.1 7,-2.5 -2,-0.3 2,-0.4 -0.973 8.2-130.7-152.3 167.4 11.7 33.9 35.3 80 85 A R E +CD 66 85A 67 -14,-2.0 -14,-2.1 -2,-0.3 2,-0.3 -0.967 17.0 176.6-124.9 138.5 12.6 36.8 33.1 81 86 A A E > - D 0 84A 8 3,-3.0 3,-1.2 -2,-0.4 2,-0.2 -0.838 63.5 -59.6-141.8 98.9 14.8 36.8 30.0 82 87 A G T 3 S- 0 0 44 -2,-0.3 -1,-0.1 1,-0.2 25,-0.1 -0.453 122.6 -3.7 66.8-127.4 15.0 40.1 28.2 83 88 A N T 3 S+ 0 0 116 -2,-0.2 25,-2.4 23,-0.1 2,-0.3 0.278 125.0 71.3 -83.7 11.6 11.6 41.2 27.0 84 89 A S E < -De 81 108A 8 -3,-1.2 -3,-3.0 23,-0.2 2,-0.4 -0.960 53.1-172.1-132.7 149.4 9.8 38.1 28.2 85 90 A A E -De 80 109A 0 23,-2.0 25,-2.5 -2,-0.3 2,-0.4 -0.998 8.9-159.4-137.4 138.4 8.8 36.6 31.5 86 91 A Y E -De 79 110A 19 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.966 3.7-165.1-123.8 138.1 7.3 33.1 32.1 87 92 A F E -De 78 111A 1 23,-2.1 25,-3.6 -2,-0.4 -9,-0.3 -0.945 21.6-122.1-123.1 140.5 5.3 31.9 35.0 88 93 A F - 0 0 14 -11,-2.2 27,-0.2 -2,-0.4 25,-0.1 -0.404 54.8 -75.8 -71.6 157.4 4.4 28.4 36.1 89 94 A H - 0 0 101 25,-3.3 27,-0.3 22,-0.1 -1,-0.1 -0.378 55.0-120.0 -58.2 115.7 0.7 27.7 36.4 90 95 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.182 12.5-144.3 -54.6 148.9 -0.5 29.3 39.7 91 96 A D S S+ 0 0 142 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.583 74.8 5.0 -96.2 -8.8 -1.9 26.8 42.2 92 97 A N S > S- 0 0 41 1,-0.1 4,-2.0 0, 0.0 3,-0.3 -0.976 82.6 -92.7-163.3 164.8 -4.6 29.1 43.6 93 98 A Q H > S+ 0 0 153 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.834 120.1 57.1 -52.8 -37.2 -6.2 32.6 43.2 94 99 A E H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 109.1 43.4 -61.9 -48.4 -3.8 34.1 45.7 95 100 A D H > S+ 0 0 28 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.854 110.7 55.3 -66.8 -35.9 -0.6 33.0 43.9 96 101 A A H X S+ 0 0 39 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.903 111.7 44.2 -64.5 -39.8 -2.0 34.0 40.5 97 102 A E H >< S+ 0 0 101 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.923 111.3 55.9 -69.4 -41.9 -2.6 37.5 41.9 98 103 A A H >< S+ 0 0 2 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.930 100.7 54.9 -56.1 -53.0 0.8 37.6 43.6 99 104 A I H >< S+ 0 0 13 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.744 91.0 74.0 -58.1 -21.4 2.9 36.9 40.4 100 105 A T T << S+ 0 0 77 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.537 89.4 63.9 -68.8 -1.3 1.2 39.9 38.7 101 106 A H T < S+ 0 0 66 -3,-2.4 3,-0.3 -4,-0.1 2,-0.3 0.413 90.0 87.3 -98.6 -0.3 3.5 41.9 41.0 102 107 A L S < S- 0 0 1 -3,-2.3 -34,-0.0 1,-0.2 -3,-0.0 -0.776 98.7 -4.0-104.9 146.7 6.6 40.5 39.4 103 108 A F S > S+ 0 0 19 -2,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.890 75.5 176.8 41.7 52.7 8.5 41.8 36.3 104 109 A T T 3 + 0 0 105 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.649 68.8 46.9 -62.4 -19.0 5.8 44.4 35.9 105 110 A D T 3 S+ 0 0 118 3,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.391 75.9 126.8-107.7 5.4 7.5 46.2 33.0 106 111 A V < - 0 0 10 -3,-1.4 -23,-0.1 1,-0.1 3,-0.1 -0.401 61.8-132.3 -64.1 135.8 8.4 43.2 30.8 107 112 A Q S S+ 0 0 149 1,-0.2 2,-0.5 -2,-0.1 -23,-0.2 0.899 90.9 33.0 -53.7 -46.5 7.0 43.7 27.2 108 113 A N E -e 84 0A 63 -25,-2.4 -23,-2.0 2,-0.0 2,-0.4 -0.955 66.8-169.3-124.6 122.0 5.6 40.1 27.1 109 114 A R E -e 85 0A 94 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.898 8.5-177.6-109.5 134.3 4.2 38.1 30.0 110 115 A Y E -e 86 0A 106 -25,-2.5 -23,-2.1 -2,-0.4 2,-0.5 -0.966 15.2-158.1-131.4 146.2 3.4 34.4 29.7 111 116 A T E -e 87 0A 82 -2,-0.3 -23,-0.2 -25,-0.2 -22,-0.1 -0.958 23.2-132.8-125.8 111.4 1.9 31.9 32.2 112 117 A F - 0 0 18 -25,-3.6 -26,-0.0 -2,-0.5 0, 0.0 -0.109 8.2-134.3 -56.9 160.2 2.6 28.2 31.5 113 118 A A S S+ 0 0 96 -24,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.441 86.0 68.3 -95.9 -4.6 -0.2 25.8 31.6 114 119 A F S S- 0 0 33 1,-0.1 -25,-3.3 2,-0.0 2,-0.1 -0.724 84.4-113.3-111.3 164.4 1.8 23.3 33.7 115 120 A G - 0 0 15 -2,-0.3 -2,-0.1 -27,-0.2 -1,-0.1 -0.395 20.2-119.7 -90.3 173.1 3.0 23.6 37.3 116 121 A G + 0 0 21 -27,-0.3 -40,-0.1 -2,-0.1 2,-0.1 0.234 69.5 124.4 -96.9 13.2 6.6 23.9 38.5 117 122 A N S > S- 0 0 81 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.396 71.0-116.9 -72.9 151.5 6.5 20.7 40.6 118 123 A Y H > S+ 0 0 31 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.883 110.7 58.5 -55.0 -47.6 9.1 18.0 39.9 119 124 A D H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 112.2 41.5 -50.4 -50.0 6.6 15.3 38.8 120 125 A R H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 117.2 46.2 -62.5 -54.6 5.4 17.6 36.0 121 126 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.899 111.5 50.8 -56.9 -46.0 8.8 18.9 35.0 122 127 A E H X>S+ 0 0 18 -4,-3.5 4,-2.3 1,-0.2 5,-1.5 0.915 111.0 50.9 -58.8 -41.3 10.4 15.4 35.0 123 128 A Q H <5S+ 0 0 113 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.912 114.9 41.6 -61.8 -44.8 7.5 14.2 32.8 124 129 A L H <5S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.842 115.0 52.5 -71.6 -34.0 8.0 17.1 30.4 125 130 A A H <5S- 0 0 6 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.806 102.3-132.7 -71.7 -31.1 11.8 16.7 30.6 126 131 A G T <5S+ 0 0 55 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.716 77.7 78.3 82.7 21.1 11.6 13.0 29.7 127 132 A N S - 0 0 81 -2,-0.3 3,-1.4 -3,-0.1 -9,-0.0 -0.362 37.0-103.8 -86.7 171.6 13.8 11.9 36.4 129 134 A R G > S+ 0 0 16 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.881 121.0 63.5 -63.4 -36.6 16.0 13.9 38.7 130 135 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 64,-0.1 64,-0.2 0.555 107.5 44.1 -66.0 -4.9 18.2 10.8 39.3 131 136 A N G < S+ 0 0 102 -3,-1.4 2,-0.5 62,-0.1 -1,-0.3 0.066 93.5 88.7-126.7 23.3 19.1 11.0 35.6 132 137 A I S < S- 0 0 3 -3,-1.9 61,-0.1 63,-0.1 -1,-0.1 -0.966 74.1-130.6-125.6 113.7 19.7 14.7 35.2 133 138 A E - 0 0 96 -2,-0.5 2,-0.3 61,-0.2 61,-0.3 -0.298 19.5-158.5 -66.5 144.2 23.3 15.9 35.8 134 139 A L B +H 193 0D 0 59,-2.3 59,-1.4 4,-0.1 2,-0.3 -0.862 36.6 91.5-120.8 155.3 24.1 18.8 38.1 135 140 A G S > S- 0 0 0 -2,-0.3 4,-1.8 57,-0.2 5,-0.2 -0.877 86.1 -60.5 147.6-178.0 27.1 21.1 38.3 136 141 A N H > S+ 0 0 28 -2,-0.3 4,-2.5 55,-0.3 5,-0.1 0.866 130.0 52.3 -66.8 -35.9 28.5 24.3 37.0 137 142 A G H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.979 110.4 45.9 -63.5 -56.4 28.3 23.0 33.4 138 143 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.838 115.9 47.7 -55.3 -34.5 24.7 21.9 33.5 139 144 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.899 108.8 53.4 -73.6 -40.6 23.8 25.2 35.2 140 145 A E H X S+ 0 0 39 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.929 115.3 41.4 -56.4 -47.3 25.8 27.2 32.6 141 146 A E H X S+ 0 0 101 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.876 110.3 56.8 -69.7 -40.6 23.7 25.4 29.9 142 147 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.932 104.6 52.6 -58.1 -45.8 20.5 25.7 31.8 143 148 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.908 110.4 49.0 -56.6 -41.9 20.8 29.5 31.9 144 149 A S H X S+ 0 0 28 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.903 109.6 50.6 -64.6 -43.3 21.4 29.5 28.1 145 150 A A H < S+ 0 0 12 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.900 109.9 50.0 -63.1 -42.1 18.3 27.3 27.5 146 151 A L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.889 110.5 52.2 -63.6 -37.9 16.1 29.5 29.6 147 152 A Y H 3< S+ 0 0 81 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.885 110.5 44.8 -67.2 -40.5 17.3 32.6 27.7 148 153 A Y T 3<>S+ 0 0 106 -4,-2.0 5,-2.2 1,-0.2 6,-0.9 0.263 85.9 96.7 -90.5 13.8 16.7 31.3 24.2 149 154 A Y T X 5S+ 0 0 59 -3,-0.9 3,-2.0 -4,-0.3 -1,-0.2 0.948 79.0 52.0 -66.3 -50.2 13.2 29.9 24.9 150 155 A S T 3 5S+ 0 0 52 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.659 107.9 53.4 -62.5 -18.3 11.2 32.9 23.7 151 156 A T T 3 5S- 0 0 102 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.2 0.269 120.4-105.3-100.1 9.6 13.0 32.9 20.3 152 157 A G T < 5S+ 0 0 62 -3,-2.0 -3,-0.2 2,-0.1 -2,-0.1 0.608 89.0 118.6 79.5 12.8 12.3 29.2 19.7 153 158 A G < + 0 0 56 -5,-2.2 2,-0.5 1,-0.1 -4,-0.2 0.759 62.4 63.4 -82.1 -24.8 15.8 28.1 20.4 154 159 A T S S- 0 0 9 -6,-0.9 -2,-0.1 -5,-0.2 2,-0.1 -0.887 74.4-140.2-109.6 125.0 14.9 25.8 23.4 155 160 A Q > - 0 0 138 -2,-0.5 4,-2.2 1,-0.1 3,-0.2 -0.438 28.6-112.4 -74.6 152.4 12.7 22.7 23.1 156 161 A L H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 115.6 51.8 -53.1 -46.7 10.2 22.1 25.9 157 162 A P H > S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.915 112.9 46.2 -60.1 -39.7 11.9 19.0 27.3 158 163 A T H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.836 111.6 51.5 -71.1 -31.4 15.2 20.9 27.4 159 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 111.5 47.8 -69.6 -41.7 13.5 23.9 29.1 160 165 A A H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.926 110.3 50.7 -64.3 -46.0 12.0 21.6 31.7 161 166 A R H X S+ 0 0 80 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.899 109.4 54.1 -58.7 -38.3 15.3 19.8 32.3 162 167 A S H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.891 105.2 51.0 -61.8 -44.8 16.8 23.3 32.7 163 168 A F H X S+ 0 0 2 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.938 107.5 54.7 -58.9 -45.7 14.2 24.4 35.4 164 169 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.812 108.6 48.7 -57.6 -33.3 15.1 21.2 37.3 165 170 A I H X S+ 0 0 8 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.944 114.3 44.5 -72.7 -47.8 18.7 22.1 37.3 166 171 A C H X>S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 5,-0.5 0.887 111.5 53.1 -62.8 -43.3 18.1 25.7 38.5 167 172 A I H X>S+ 0 0 13 -4,-3.2 5,-2.3 1,-0.2 4,-0.6 0.894 114.2 40.7 -63.4 -41.5 15.6 24.6 41.1 168 173 A Q H <>S+ 0 0 0 -4,-1.4 5,-1.1 -5,-0.3 -2,-0.2 0.903 116.3 48.6 -76.6 -37.9 17.9 22.1 42.8 169 174 A M H <5S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.656 128.7 20.9 -78.0 -10.9 21.0 24.2 42.5 170 175 A I H X5S+ 0 0 2 -4,-1.3 4,-1.7 -5,-0.2 -3,-0.2 0.742 131.8 29.8-116.0 -64.9 19.4 27.3 43.9 171 176 A S H X S+ 0 0 66 69,-1.0 4,-3.1 -2,-0.5 69,-0.2 0.907 100.8 58.7 -61.1 -38.9 23.4 22.8 53.8 178 183 A Y H > S+ 0 0 57 68,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.947 109.0 40.8 -52.5 -54.5 23.8 19.2 52.8 179 184 A I H > S+ 0 0 0 67,-0.4 4,-2.0 -7,-0.2 -1,-0.2 0.900 113.3 53.8 -64.3 -40.0 22.6 19.8 49.2 180 185 A E H X S+ 0 0 7 -4,-2.8 4,-2.2 -7,-0.5 -1,-0.2 0.913 108.2 53.8 -59.4 -38.9 24.5 23.1 49.1 181 186 A G H X S+ 0 0 28 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.900 105.0 50.8 -62.5 -43.5 27.5 21.0 50.1 182 187 A E H X S+ 0 0 16 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.874 110.9 49.3 -64.0 -35.9 27.1 18.5 47.3 183 188 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.887 108.0 54.1 -69.4 -38.9 26.9 21.3 44.8 184 189 A R H X S+ 0 0 81 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.935 107.6 51.1 -59.3 -45.7 30.1 22.9 46.2 185 190 A T H X S+ 0 0 77 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.927 108.3 51.8 -56.3 -47.5 31.9 19.6 45.7 186 191 A R H <>S+ 0 0 14 -4,-1.9 5,-2.3 1,-0.2 4,-0.3 0.901 112.8 45.3 -57.1 -43.1 30.7 19.5 42.1 187 192 A I H ><5S+ 0 0 13 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.942 109.6 54.3 -66.8 -49.0 32.1 23.0 41.5 188 193 A R H 3<5S+ 0 0 142 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.895 121.5 28.9 -53.0 -47.1 35.4 22.4 43.3 189 194 A Y T 3<5S- 0 0 149 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.308 106.1-125.4 -98.7 9.2 36.3 19.3 41.2 190 195 A N T < 5 + 0 0 114 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.909 55.5 155.8 45.6 53.6 34.3 20.6 38.2 191 196 A R < - 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