==== 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 PLANT PROTEIN 22-AUG-08 2ZR1 . COMPND 2 MOLECULE: AGGLUTININ-1 CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ABRUS PRECATORIUS; . AUTHOR J.CHENG,T.H.LU,C.L.LIU,J.Y.LIN . 1026 4 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 711 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 2 0.2 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 . 95 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 2 1 1 2 0 1 0 2 2 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 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 . 18 15 9 11 6 2 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 . 1 5 1 6 4 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 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 Q 0 0 230 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.4 94.3 77.8 70.4 2 2 A D - 0 0 119 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.266 360.0 -80.8 -73.8 159.9 93.2 74.2 71.0 3 3 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 -0.302 57.9 -88.1 -63.8 145.3 94.9 71.2 69.4 4 4 A I - 0 0 26 48,-0.5 50,-2.6 18,-0.1 2,-0.3 -0.253 54.3-174.8 -54.4 129.5 94.1 70.3 65.8 5 5 A K E -a 54 0A 98 48,-0.2 2,-0.5 -3,-0.1 50,-0.2 -0.949 24.0-153.2-134.0 152.3 91.1 68.0 65.6 6 6 A F E -a 55 0A 6 48,-2.9 50,-2.3 -2,-0.3 2,-1.2 -0.952 8.5-157.8-128.0 111.2 89.1 66.0 62.9 7 7 A T E > -a 56 0A 57 -2,-0.5 3,-1.4 48,-0.2 50,-0.1 -0.726 12.2-178.5 -86.8 92.2 85.5 65.3 63.7 8 8 A T G > S+ 0 0 2 48,-1.6 3,-1.4 -2,-1.2 -1,-0.2 0.747 70.4 75.1 -67.0 -23.4 84.9 62.3 61.4 9 9 A G G 3 S+ 0 0 53 47,-0.3 -1,-0.3 1,-0.3 48,-0.1 0.649 113.1 23.9 -64.6 -15.9 81.2 62.0 62.4 10 10 A S G < S+ 0 0 80 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.021 90.1 157.3-136.4 25.8 80.5 65.0 60.2 11 11 A A < + 0 0 19 -3,-1.4 -3,-0.1 4,-0.1 3,-0.0 -0.187 9.9 167.9 -56.8 144.5 83.4 64.9 57.8 12 12 A T > - 0 0 63 1,-0.0 4,-3.1 0, 0.0 5,-0.4 -0.943 53.6 -96.2-150.4 163.4 83.0 66.6 54.4 13 13 A P H > S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.885 128.2 45.7 -52.4 -35.2 85.4 67.5 51.6 14 14 A A H > S+ 0 0 52 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.931 112.2 45.7 -74.9 -48.7 85.5 70.9 53.3 15 15 A S H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.918 113.8 51.3 -64.7 -38.7 85.9 69.9 56.9 16 16 A Y H X S+ 0 0 3 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.945 110.8 47.4 -62.5 -47.8 88.6 67.5 55.9 17 17 A N H X S+ 0 0 54 -4,-1.7 4,-2.7 -5,-0.4 -1,-0.2 0.893 110.1 53.0 -61.3 -37.5 90.5 70.1 54.0 18 18 A Q H X S+ 0 0 136 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.908 109.1 51.3 -62.4 -37.7 90.1 72.5 56.9 19 19 A F H X S+ 0 0 8 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.961 111.3 45.7 -63.0 -51.6 91.6 69.8 59.1 20 20 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.901 110.5 52.7 -59.7 -45.3 94.6 69.3 56.8 21 21 A D H X S+ 0 0 81 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.908 108.2 51.3 -60.0 -40.2 95.4 73.0 56.3 22 22 A A H X S+ 0 0 36 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.896 111.4 47.8 -63.0 -40.1 95.4 73.5 60.1 23 23 A L H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.921 113.7 46.9 -67.2 -43.1 97.9 70.6 60.5 24 24 A R H X S+ 0 0 30 -4,-2.9 4,-1.4 2,-0.2 3,-0.3 0.949 112.0 50.7 -62.4 -47.5 100.1 72.0 57.6 25 25 A E H < S+ 0 0 158 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.897 111.3 49.0 -55.9 -41.3 99.9 75.5 59.1 26 26 A R H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.798 113.6 46.0 -68.4 -32.2 101.0 74.0 62.5 27 27 A L H < S+ 0 0 3 -4,-1.7 12,-0.6 -3,-0.3 2,-0.5 0.595 86.3 110.5 -87.3 -12.4 103.9 72.1 61.0 28 28 A T E < +F 38 0B 38 -4,-1.4 10,-0.2 -3,-0.3 3,-0.1 -0.501 33.8 171.5 -72.3 116.2 105.2 75.0 58.8 29 29 A G E - 0 0 40 8,-3.2 2,-0.3 -2,-0.5 9,-0.2 0.785 65.9 -50.0 -90.0 -31.3 108.5 76.4 60.1 30 30 A G E -F 37 0B 29 7,-1.7 7,-2.7 5,-0.1 2,-0.3 -0.875 60.4 -83.8-173.3-157.3 109.0 78.6 57.1 31 31 A L E -F 36 0B 117 5,-0.3 2,-0.4 -2,-0.3 3,-0.0 -1.000 23.6-173.0-139.6 136.0 109.0 78.8 53.3 32 32 A I E > S-F 35 0B 11 3,-2.1 3,-2.3 -2,-0.3 -2,-0.0 -0.988 81.2 -15.0-133.7 123.3 111.6 78.0 50.6 33 33 A Y T 3 S- 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 439,-0.1 0.896 129.4 -55.7 51.5 43.4 110.9 78.8 47.0 34 34 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.3 437,-0.0 -3,-0.0 0.540 114.9 118.4 70.8 6.0 107.3 79.3 47.9 35 35 A I E < -F 32 0B 6 -3,-2.3 -3,-2.1 438,-0.0 -1,-0.2 -0.920 69.5-115.7-111.1 122.0 107.0 75.8 49.4 36 36 A P E -F 31 0B 35 0, 0.0 206,-2.4 0, 0.0 2,-0.4 -0.163 34.5-158.5 -50.3 138.3 106.2 75.4 53.1 37 37 A V E -Fg 30 242B 7 -7,-2.7 -8,-3.2 204,-0.2 -7,-1.7 -0.975 17.9-112.5-130.0 139.4 109.0 73.8 55.1 38 38 A L E -F 28 0B 1 204,-2.8 -10,-0.2 -2,-0.4 32,-0.1 -0.235 53.0 -83.3 -59.2 151.9 109.1 71.9 58.4 39 39 A R - 0 0 71 -12,-0.6 205,-0.3 30,-0.5 -1,-0.1 -0.219 51.0 -95.9 -58.1 146.4 111.0 73.7 61.3 40 40 A D > - 0 0 26 1,-0.1 3,-0.6 -3,-0.1 4,-0.4 -0.518 31.2-137.5 -66.5 119.6 114.8 73.3 61.4 41 41 A P G > S+ 0 0 53 0, 0.0 2,-1.2 0, 0.0 3,-1.1 0.828 101.0 59.2 -48.1 -40.4 115.5 70.4 63.9 42 42 A S G 3 S+ 0 0 84 1,-0.2 -2,-0.1 210,-0.1 3,-0.1 -0.264 102.2 58.1 -86.1 49.9 118.4 72.3 65.5 43 43 A T G < S+ 0 0 98 -2,-1.2 2,-0.4 -3,-0.6 -1,-0.2 0.371 88.6 78.2-149.9 -16.5 116.0 75.1 66.4 44 44 A V S < S- 0 0 31 -3,-1.1 2,-0.2 -4,-0.4 -1,-0.2 -0.880 71.2-133.1-109.8 132.9 113.3 73.4 68.5 45 45 A E > - 0 0 141 -2,-0.4 3,-3.0 1,-0.1 4,-0.2 -0.575 29.7-111.3 -78.9 147.2 113.7 72.4 72.2 46 46 A K G > S+ 0 0 126 1,-0.3 3,-1.2 -2,-0.2 4,-0.2 0.779 116.6 61.7 -49.1 -33.2 112.6 68.8 73.1 47 47 A P G 3 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.689 111.5 39.3 -71.4 -10.0 109.7 70.2 75.1 48 48 A N G < S+ 0 0 107 -3,-3.0 -2,-0.2 1,-0.1 -3,-0.1 0.185 87.5 96.9-120.8 18.6 108.3 71.7 71.9 49 49 A Q S < S+ 0 0 31 -3,-1.2 20,-3.3 -4,-0.2 21,-0.5 0.585 78.9 57.5 -85.1 -8.4 109.2 68.9 69.4 50 50 A Y E - B 0 68A 21 -4,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.887 54.6-173.4-128.1 153.6 105.7 67.3 69.5 51 51 A V E - B 0 67A 16 16,-2.0 16,-2.3 -2,-0.3 2,-0.3 -0.976 19.0-131.5-138.9 153.9 102.1 68.2 68.8 52 52 A T E - B 0 66A 46 -2,-0.3 -48,-0.5 14,-0.2 2,-0.3 -0.737 15.0-168.9-107.7 155.7 98.9 66.3 69.3 53 53 A V E - B 0 65A 1 12,-1.5 12,-2.5 -2,-0.3 2,-0.4 -0.991 13.4-141.5-140.2 140.6 96.1 65.8 66.9 54 54 A E E -aB 5 64A 41 -50,-2.6 -48,-2.9 -2,-0.3 2,-0.5 -0.912 11.2-170.6-114.1 137.0 92.6 64.4 67.7 55 55 A L E -aB 6 63A 0 8,-3.1 8,-2.4 -2,-0.4 2,-0.3 -0.965 15.8-165.7-121.0 111.1 90.5 62.1 65.6 56 56 A S E -aB 7 62A 7 -50,-2.3 -48,-1.6 -2,-0.5 -47,-0.3 -0.782 23.9-176.2-105.2 147.9 87.0 61.6 66.9 57 57 A Y E S- 0 0 63 4,-4.2 2,-0.3 1,-0.4 5,-0.2 0.684 77.9 -17.4-102.9 -34.9 84.4 59.0 66.0 58 58 A S E > S- B 0 61A 44 3,-2.2 3,-0.7 -50,-0.0 -1,-0.4 -0.892 85.4 -76.1-156.5-176.9 81.6 60.4 68.1 59 59 A D T 3 S+ 0 0 173 -2,-0.3 3,-0.1 1,-0.2 -52,-0.0 0.573 134.2 31.0 -67.9 -6.7 81.1 62.8 71.1 60 60 A T T 3 S+ 0 0 119 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.343 112.4 66.6-130.6 2.1 82.5 60.0 73.3 61 61 A V E < +B 58 0A 32 -3,-0.7 -4,-4.2 2,-0.0 -3,-2.2 -0.965 57.9 119.8-134.1 120.7 84.9 58.1 71.1 62 62 A S E -B 56 0A 33 -2,-0.4 18,-0.4 -6,-0.3 2,-0.3 -0.965 35.9-147.8-163.7 166.4 88.1 59.5 69.8 63 63 A I E -B 55 0A 2 -8,-2.4 -8,-3.1 -2,-0.3 2,-0.3 -0.914 14.2-136.6-137.4 165.2 91.9 58.9 69.8 64 64 A Q E -BC 54 78A 45 14,-1.7 14,-2.9 -2,-0.3 2,-0.3 -0.925 10.3-145.7-124.8 150.4 94.9 61.2 69.7 65 65 A L E -BC 53 77A 1 -12,-2.5 -12,-1.5 -2,-0.3 2,-0.5 -0.867 9.4-137.5-114.2 152.1 98.0 60.9 67.7 66 66 A G E -BC 52 76A 1 10,-4.0 9,-3.1 -2,-0.3 10,-1.3 -0.936 25.2-170.9-108.2 129.5 101.5 62.1 68.7 67 67 A I E -BC 51 74A 3 -16,-2.3 -16,-2.0 -2,-0.5 2,-0.6 -0.977 23.5-129.9-128.3 134.0 103.4 63.8 65.9 68 68 A D E >>> -BC 50 73A 10 5,-2.8 4,-1.6 -2,-0.4 3,-1.0 -0.679 13.1-151.8 -80.7 121.2 107.1 64.9 65.7 69 69 A L T 345S+ 0 0 3 -20,-3.3 -30,-0.5 -2,-0.6 -1,-0.2 0.667 90.8 64.8 -65.9 -16.8 107.1 68.5 64.6 70 70 A T T 345S+ 0 0 21 -21,-0.5 174,-0.4 1,-0.1 -1,-0.2 0.734 122.4 7.9 -80.5 -27.3 110.6 67.8 63.1 71 71 A N T <45S- 0 0 41 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.1 0.290 93.9-116.0-139.5 7.8 109.6 65.2 60.4 72 72 A A T <5 + 0 0 2 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.697 66.3 148.2 61.9 20.9 105.8 65.2 60.4 73 73 A Y E < -C 68 0A 91 -5,-0.5 -5,-2.8 90,-0.0 2,-0.5 -0.668 52.6-123.7 -91.8 141.1 105.9 61.6 61.6 74 74 A V E +C 67 0A 8 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.700 31.3 174.7 -78.1 126.3 103.3 59.9 63.8 75 75 A V E - 0 0 15 -9,-3.1 11,-2.4 -2,-0.5 2,-0.3 0.587 58.8 -14.5-109.6 -15.8 105.3 58.6 66.8 76 76 A A E -CD 66 85A 2 -10,-1.3 -10,-4.0 9,-0.2 -1,-0.3 -0.990 52.6-135.1-172.8 171.3 102.3 57.4 68.9 77 77 A Y E -CD 65 84A 7 7,-1.9 7,-3.0 -2,-0.3 2,-0.4 -0.963 14.0-138.9-140.2 155.2 98.6 57.3 69.7 78 78 A R E -CD 64 83A 93 -14,-2.9 -14,-1.7 -2,-0.3 2,-0.4 -0.964 15.1-179.7-120.1 137.6 96.4 57.6 72.8 79 79 A A E > - D 0 82A 3 3,-2.7 3,-1.7 -2,-0.4 2,-0.3 -0.925 64.4 -49.6-138.2 105.8 93.3 55.6 73.6 80 80 A G T 3 S- 0 0 19 -2,-0.4 62,-0.0 -18,-0.4 61,-0.0 -0.529 122.6 -19.6 69.2-126.2 91.6 56.4 76.8 81 81 A S T 3 S+ 0 0 69 -2,-0.3 21,-2.8 20,-0.1 2,-0.3 0.180 125.7 83.6 -98.8 13.8 94.2 56.4 79.6 82 82 A E E < -De 79 102A 75 -3,-1.7 -3,-2.7 19,-0.2 2,-0.3 -0.853 55.5-169.6-117.8 155.3 96.6 54.4 77.6 83 83 A S E -De 78 103A 0 19,-1.9 21,-2.3 -2,-0.3 2,-0.5 -0.993 7.6-152.4-142.8 146.6 99.2 55.5 75.0 84 84 A F E -De 77 104A 38 -7,-3.0 -7,-1.9 -2,-0.3 2,-0.4 -0.976 6.3-164.1-130.0 123.6 101.3 53.6 72.6 85 85 A F E -De 76 105A 9 19,-2.9 21,-2.5 -2,-0.5 -9,-0.2 -0.836 31.1-104.7-107.0 140.2 104.6 54.6 71.1 86 86 A F > - 0 0 8 -11,-2.4 3,-3.0 -2,-0.4 23,-0.2 -0.345 29.5-120.6 -59.4 137.9 106.3 53.1 68.1 87 87 A R T 3 S+ 0 0 132 21,-1.6 22,-0.2 1,-0.3 -1,-0.2 0.745 115.9 60.5 -50.0 -24.4 109.2 50.8 69.1 88 88 A N T 3 S+ 0 0 95 20,-0.4 -1,-0.3 -13,-0.1 21,-0.1 0.503 81.4 117.3 -82.2 -10.3 111.3 53.2 67.0 89 89 A A < - 0 0 31 -3,-3.0 2,-0.2 -14,-0.2 -4,-0.1 -0.336 62.5-124.1 -67.0 139.1 110.4 56.2 69.2 90 90 A P >> - 0 0 66 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.505 30.8 -99.7 -85.2 152.3 113.1 58.2 71.1 91 91 A A H 3> S+ 0 0 77 1,-0.3 4,-1.6 -2,-0.2 3,-0.2 0.751 117.9 64.4 -35.5 -40.1 113.0 58.8 74.8 92 92 A S H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.781 89.4 66.7 -63.0 -28.2 111.7 62.3 74.3 93 93 A A H <> S+ 0 0 0 -3,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.956 109.7 33.0 -60.6 -53.3 108.3 61.2 72.8 94 94 A S H < S+ 0 0 39 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.833 114.2 63.5 -73.8 -27.7 106.9 59.5 75.9 95 95 A T H < S+ 0 0 77 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 122.4 17.1 -62.6 -36.0 108.7 62.2 78.0 96 96 A Y H < S+ 0 0 106 -4,-2.0 2,-0.3 -3,-0.2 3,-0.2 0.498 118.5 68.7-115.1 -6.6 106.6 65.0 76.5 97 97 A L S < S+ 0 0 9 -4,-2.0 3,-0.1 -5,-0.3 -31,-0.1 -0.808 106.5 3.9-110.7 156.2 103.7 63.2 74.9 98 98 A F S > S+ 0 0 23 -2,-0.3 3,-1.9 1,-0.2 2,-0.2 0.726 76.7 174.3 48.7 25.5 100.8 61.4 76.6 99 99 A T T 3 + 0 0 106 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.484 67.6 37.0 -64.3 127.8 102.1 62.4 80.1 100 100 A G T 3 S+ 0 0 78 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.340 100.2 91.5 114.9 -9.9 99.5 61.2 82.5 101 101 A T S < S- 0 0 15 -3,-1.9 2,-0.7 -19,-0.0 -1,-0.5 -0.775 89.3 -98.6-113.1 160.4 98.6 58.0 80.7 102 102 A Q E -e 82 0A 99 -21,-2.8 -19,-1.9 -2,-0.3 2,-0.3 -0.725 49.4-147.3 -75.7 120.1 100.0 54.6 81.1 103 103 A Q E -e 83 0A 79 -2,-0.7 2,-0.3 -21,-0.2 -19,-0.2 -0.729 19.2-177.7 -95.7 142.5 102.5 54.5 78.3 104 104 A Y E -e 84 0A 107 -21,-2.3 -19,-2.9 -2,-0.3 2,-0.3 -0.916 22.6-120.9-134.8 161.9 103.4 51.4 76.3 105 105 A S E -e 85 0A 103 -2,-0.3 -19,-0.2 -21,-0.2 -18,-0.0 -0.802 19.5-137.7-103.7 143.8 105.7 50.3 73.5 106 106 A L - 0 0 8 -21,-2.5 -19,-0.2 -2,-0.3 -22,-0.0 -0.713 19.2-126.2 -94.9 149.3 104.6 48.8 70.2 107 107 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.421 88.5 62.0 -78.0 5.9 106.6 45.8 68.9 108 108 A F S S- 0 0 0 39,-0.0 -21,-1.6 10,-0.0 -20,-0.4 -0.968 80.0-116.5-136.0 151.6 107.0 47.6 65.6 109 109 A D - 0 0 21 -2,-0.3 6,-0.2 -23,-0.2 -22,-0.0 -0.287 31.0-111.6 -76.1 163.4 108.6 50.8 64.3 110 110 A G S S+ 0 0 13 4,-0.1 2,-0.2 -24,-0.1 -36,-0.2 0.313 84.1 103.6 -79.0 7.5 106.8 53.6 62.6 111 111 A N S > S- 0 0 79 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.534 80.8-116.4 -86.7 159.6 108.3 53.0 59.1 112 112 A Y H > S+ 0 0 26 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.804 108.9 60.1 -67.6 -32.3 106.3 51.3 56.3 113 113 A D H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 113.3 37.4 -60.6 -48.4 108.5 48.1 56.1 114 114 A D H > S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.952 117.9 49.6 -67.2 -49.4 107.9 47.2 59.7 115 115 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.930 114.7 45.3 -55.0 -47.6 104.2 48.3 59.6 116 116 A E H X>S+ 0 0 37 -4,-3.1 5,-1.8 1,-0.2 4,-0.7 0.882 111.1 54.6 -63.5 -38.4 103.6 46.3 56.4 117 117 A K H ><5S+ 0 0 137 -4,-2.0 3,-0.6 -5,-0.3 -2,-0.2 0.921 112.7 41.0 -61.4 -46.8 105.5 43.4 57.9 118 118 A W H 3<5S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.724 114.6 52.8 -76.8 -19.0 103.3 43.3 61.0 119 119 A A H 3<5S- 0 0 4 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.511 99.4-136.6 -91.5 -4.5 100.2 43.9 58.9 120 120 A H T <<5S+ 0 0 141 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.864 78.1 83.1 51.9 35.5 101.0 41.0 56.6 121 121 A Q S - 0 0 39 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.425 35.2-104.1 -83.7 163.4 101.7 46.1 51.9 123 123 A R G > S+ 0 0 19 1,-0.3 3,-2.6 2,-0.2 -1,-0.1 0.907 116.2 66.8 -48.8 -50.4 100.2 49.6 51.5 124 124 A Q G 3 S+ 0 0 89 1,-0.3 -1,-0.3 61,-0.1 61,-0.0 0.660 105.8 44.0 -50.6 -16.9 99.1 48.9 47.9 125 125 A R G < S+ 0 0 132 -3,-1.9 2,-0.6 60,-0.1 -1,-0.3 0.483 92.7 92.3-108.2 -4.2 96.6 46.4 49.3 126 126 A I S < S- 0 0 2 -3,-2.6 2,-0.0 -4,-0.4 58,-0.0 -0.821 72.9-131.5 -97.3 121.0 95.3 48.4 52.2 127 127 A S - 0 0 49 -2,-0.6 2,-0.3 58,-0.1 58,-0.2 -0.308 16.6-155.6 -72.7 152.4 92.2 50.5 51.5 128 128 A L B +H 184 0C 1 56,-2.6 56,-1.6 4,-0.1 2,-0.3 -0.913 34.7 98.1-126.4 151.9 91.7 54.2 52.4 129 129 A G S > S- 0 0 4 -2,-0.3 4,-2.4 54,-0.2 5,-0.1 -0.880 77.4 -70.5 154.0 175.0 88.6 56.2 53.0 130 130 A L H > S+ 0 0 39 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.908 126.3 50.1 -62.9 -46.5 86.2 57.7 55.5 131 131 A E H > S+ 0 0 163 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.806 112.3 48.5 -65.5 -27.5 84.7 54.3 56.5 132 132 A A H > S+ 0 0 18 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.918 111.3 50.2 -76.0 -44.3 88.2 52.9 57.0 133 133 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.942 113.6 44.1 -57.7 -51.3 89.3 55.8 59.1 134 134 A R H X S+ 0 0 59 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.833 112.4 52.7 -65.5 -32.6 86.3 55.7 61.4 135 135 A Q H X S+ 0 0 107 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.926 110.9 49.5 -67.4 -40.9 86.6 51.9 61.7 136 136 A G H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.896 107.8 50.6 -65.0 -44.4 90.2 52.4 62.7 137 137 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.946 112.4 47.9 -60.2 -46.8 89.6 55.0 65.4 138 138 A K H X S+ 0 0 121 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.891 112.6 49.8 -61.4 -38.6 86.9 52.8 67.0 139 139 A F H < S+ 0 0 40 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.934 113.8 44.1 -68.2 -43.7 89.3 49.9 66.8 140 140 A L H < S+ 0 0 4 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.858 109.5 56.8 -68.7 -33.3 92.2 51.8 68.4 141 141 A R H < S+ 0 0 98 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.854 104.2 59.5 -67.8 -31.1 89.9 53.3 71.1 142 142 A S S < S- 0 0 63 -4,-1.5 -3,-0.1 -5,-0.2 0, 0.0 0.158 95.2-120.3 -73.0-153.5 88.9 49.9 72.2 143 143 A G + 0 0 49 2,-0.0 -3,-0.1 0, 0.0 -4,-0.1 0.364 46.8 155.7-134.2 4.9 91.7 47.7 73.4 144 144 A A - 0 0 53 -5,-0.3 2,-2.5 1,-0.2 -2,-0.1 -0.091 41.7-140.9 -38.7 103.9 91.6 44.6 71.1 145 145 A S + 0 0 121 1,-0.0 2,-0.6 4,-0.0 -1,-0.2 -0.380 52.2 136.6 -75.6 66.0 95.2 43.6 71.6 146 146 A D > - 0 0 71 -2,-2.5 4,-2.2 1,-0.1 3,-0.2 -0.891 33.6-172.6-118.6 101.0 95.9 42.7 68.0 147 147 A D H > S+ 0 0 67 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.846 85.4 56.9 -59.1 -38.7 99.2 43.9 66.6 148 148 A E H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 113.5 40.6 -59.8 -44.2 98.5 42.8 63.0 149 149 A E H > S+ 0 0 54 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.808 112.5 55.1 -75.6 -31.4 95.3 44.9 63.0 150 150 A I H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.934 109.6 46.4 -67.7 -45.8 97.0 47.8 64.9 151 151 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.951 113.6 49.5 -60.1 -47.7 99.7 48.1 62.3 152 152 A R H X S+ 0 0 44 -4,-1.9 4,-1.4 -5,-0.2 3,-0.4 0.930 113.4 44.9 -57.6 -49.1 97.2 47.9 59.4 153 153 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.891 110.5 54.9 -64.6 -36.0 95.0 50.6 60.9 154 154 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.793 103.3 56.2 -67.1 -28.1 98.0 52.8 61.7 155 155 A I H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.4 -1,-0.2 0.871 107.6 49.4 -70.0 -34.6 99.0 52.5 58.0 156 156 A V H X S+ 0 0 2 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.961 114.5 43.4 -65.8 -52.2 95.5 53.9 57.1 157 157 A I H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 5,-0.5 0.863 108.9 56.4 -64.0 -40.4 95.8 56.8 59.6 158 158 A I H X>S+ 0 0 9 -4,-2.3 5,-2.1 1,-0.2 4,-0.7 0.906 112.7 41.7 -59.7 -45.0 99.4 57.7 58.8 159 159 A Q H <>S+ 0 0 0 -4,-1.5 5,-0.6 3,-0.2 -1,-0.2 0.809 115.6 49.6 -73.8 -31.2 98.6 58.2 55.1 160 160 A M H <5S+ 0 0 6 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.614 130.4 17.8 -84.5 -13.1 95.3 60.0 55.7 161 161 A V H X5S+ 0 0 1 -4,-1.3 4,-1.6 -3,-0.2 -3,-0.2 0.681 133.0 32.5-118.2 -66.9 96.8 62.4 58.2 162 162 A A H X5S+ 0 0 3 -4,-0.7 4,-1.6 -5,-0.5 3,-0.2 0.946 126.7 36.5 -60.2 -59.0 100.7 62.5 57.8 163 163 A E H > S+ 0 0 38 70,-1.9 4,-1.4 -2,-0.5 71,-0.2 0.767 99.8 62.1 -69.4 -23.3 98.5 67.9 48.1 169 169 A Y H > S+ 0 0 4 69,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.913 104.2 44.8 -67.6 -45.2 98.1 64.7 46.0 170 170 A V H > S+ 0 0 0 -7,-0.3 4,-2.3 68,-0.3 -2,-0.2 0.941 113.1 48.0 -67.5 -49.1 97.2 62.5 48.9 171 171 A S H X S+ 0 0 6 -4,-1.8 4,-2.0 -7,-0.5 -1,-0.2 0.847 111.7 53.3 -60.1 -32.4 94.7 65.0 50.5 172 172 A K H X S+ 0 0 22 -4,-1.4 4,-2.3 -5,-0.2 5,-0.2 0.949 108.2 48.7 -67.4 -47.5 93.2 65.4 47.1 173 173 A L H X S+ 0 0 23 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.845 109.6 52.8 -60.6 -35.8 92.8 61.6 46.7 174 174 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.907 108.8 50.8 -68.2 -38.5 91.2 61.5 50.1 175 175 A V H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.917 107.3 50.2 -66.5 -42.5 88.7 64.2 49.1 176 176 A I H X S+ 0 0 25 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.925 110.1 55.1 -62.7 -34.2 87.6 62.5 45.9 177 177 A S H X>S+ 0 0 5 -4,-1.7 4,-1.8 -5,-0.2 5,-1.5 0.940 108.6 44.9 -59.1 -49.8 87.1 59.4 48.1 178 178 A L H <5S+ 0 0 17 -4,-2.2 3,-0.4 2,-0.2 -1,-0.2 0.948 116.2 46.6 -58.5 -49.1 84.8 61.3 50.5 179 179 A S H <5S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 116.9 45.1 -60.1 -38.8 82.9 62.8 47.6 180 180 A N H <5S- 0 0 61 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.680 95.9-142.5 -77.5 -21.6 82.8 59.4 45.9 181 181 A R T <5 + 0 0 211 -4,-1.8 2,-0.4 -3,-0.4 -3,-0.2 0.926 64.5 120.9 56.4 41.5 81.8 57.6 49.1 182 182 A A < - 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