==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 25-JUN-03 1PUU . COMPND 2 MOLECULE: LECTIN I A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR R.KRAUSPENHAAR,W.VOELTER,S.STOEVA,A.MIKHAILOV,N.KONAREVA,C.B . 512 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 23.2 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 1 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 15.2 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 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 11 6 5 6 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 3 2 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 Y 0 0 90 0, 0.0 53,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 165.5 60.0 65.1 30.4 2 2 A E E -a 54 0A 91 51,-0.6 53,-2.8 1,-0.0 2,-0.5 -0.394 360.0-152.2 -63.4 143.0 58.8 66.6 27.1 3 3 A R E -a 55 0A 115 51,-0.2 2,-0.4 -2,-0.1 53,-0.2 -0.949 14.1-177.0-126.9 112.8 55.3 67.9 27.4 4 4 A L E -a 56 0A 10 51,-3.9 53,-3.5 -2,-0.5 2,-0.4 -0.880 10.5-165.1-106.3 138.6 53.0 68.1 24.3 5 5 A S E -a 57 0A 83 -2,-0.4 2,-0.4 51,-0.2 53,-0.2 -0.941 13.2-173.9-129.7 150.0 49.5 69.5 24.7 6 6 A L E -a 58 0A 13 51,-2.5 53,-1.7 -2,-0.4 2,-0.6 -0.994 20.4-139.7-139.8 128.3 46.4 69.5 22.6 7 7 A R E -a 59 0A 146 -2,-0.4 2,-0.8 51,-0.2 53,-0.2 -0.791 18.6-156.2 -85.6 123.1 43.2 71.4 23.4 8 8 A T E +a 60 0A 0 51,-2.2 53,-0.7 -2,-0.6 2,-0.3 -0.888 37.4 129.2-106.9 107.9 40.3 69.1 22.5 9 9 A V S > S- 0 0 3 -2,-0.8 3,-1.0 51,-0.2 126,-0.0 -0.855 75.2 -94.4-143.1 176.0 37.2 71.2 21.8 10 10 A Q T 3 S+ 0 0 117 -2,-0.3 123,-0.1 1,-0.2 -2,-0.0 0.441 126.8 56.1 -77.4 3.6 34.6 71.5 19.1 11 11 A Q T 3 S+ 0 0 140 2,-0.1 -1,-0.2 -4,-0.0 -3,-0.0 0.508 77.1 116.4-107.0 -14.3 36.9 74.2 17.7 12 12 A T < - 0 0 11 -3,-1.0 2,-0.2 1,-0.1 120,-0.1 -0.360 59.3-142.2 -56.6 132.6 40.0 72.0 17.4 13 13 A T > - 0 0 57 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.601 19.6-116.2 -97.8 161.0 40.9 71.7 13.8 14 14 A G H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.928 118.7 55.3 -57.6 -43.5 42.3 68.7 11.8 15 15 A A H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.914 106.2 50.4 -55.8 -44.9 45.4 70.7 11.3 16 16 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 112.5 45.4 -62.8 -42.5 45.9 71.2 15.0 17 17 A Y H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.945 113.7 50.7 -64.5 -46.3 45.4 67.6 15.8 18 18 A F H X S+ 0 0 55 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.897 109.0 50.5 -56.8 -44.9 47.8 66.7 12.9 19 19 A S H X S+ 0 0 63 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.922 110.5 51.2 -60.2 -44.8 50.4 69.1 14.2 20 20 A F H X S+ 0 0 8 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.949 111.7 45.1 -58.2 -51.2 50.1 67.5 17.6 21 21 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 111.9 53.3 -63.4 -37.8 50.6 64.0 16.3 22 22 A T H X S+ 0 0 37 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.933 107.9 49.5 -62.1 -46.9 53.5 65.1 14.1 23 23 A L H X S+ 0 0 90 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.893 109.5 52.9 -59.9 -38.9 55.3 66.6 17.1 24 24 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.918 110.8 46.4 -62.9 -43.1 54.8 63.5 19.1 25 25 A R H X S+ 0 0 34 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.945 110.3 54.2 -61.8 -48.5 56.3 61.5 16.2 26 26 A D H < S+ 0 0 93 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.935 111.5 45.1 -51.2 -50.6 59.2 63.9 16.0 27 27 A F H < S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.923 114.4 44.5 -65.3 -45.1 60.0 63.5 19.6 28 28 A V H < S+ 0 0 0 -4,-2.5 13,-0.6 -5,-0.2 -1,-0.2 0.666 89.9 112.2 -74.7 -10.1 59.7 59.7 19.9 29 29 A S E < -F 40 0B 43 -4,-1.7 11,-0.2 -3,-0.4 213,-0.0 -0.425 58.3-155.7 -63.7 129.2 61.8 59.5 16.6 30 30 A S E - 0 0 40 9,-2.2 -1,-0.2 2,-0.3 10,-0.1 0.721 35.8-116.9 -78.4 -23.6 65.2 58.1 17.3 31 31 A G E S+ 0 0 55 1,-0.5 2,-0.2 8,-0.3 9,-0.1 0.107 86.1 104.8 102.7 -18.5 66.8 59.7 14.3 32 32 A S E - 0 0 36 7,-0.3 7,-2.1 220,-0.0 -1,-0.5 -0.622 51.4-167.1 -95.3 156.1 67.5 56.2 13.0 33 33 A F E -F 38 0B 75 5,-0.2 220,-3.5 -2,-0.2 2,-0.4 -0.863 16.5-148.7-135.1 165.5 65.6 54.4 10.2 34 34 A S E > S-F 37 0B 0 3,-1.7 3,-2.1 -2,-0.3 220,-0.1 -0.965 89.3 -16.4-138.5 118.9 65.3 50.9 8.7 35 35 A N T 3 S- 0 0 30 -2,-0.4 217,-0.1 1,-0.3 219,-0.0 0.851 131.9 -51.8 51.0 38.3 64.6 50.7 5.0 36 36 A N T 3 S+ 0 0 113 215,-0.3 -1,-0.3 1,-0.2 435,-0.1 0.457 113.5 116.5 81.0 5.5 63.6 54.4 5.2 37 37 A I E < -F 34 0B 0 -3,-2.1 -3,-1.7 1,-0.0 -1,-0.2 -0.901 69.2-109.9-110.7 130.8 61.1 54.1 8.0 38 38 A P E -F 33 0B 17 0, 0.0 205,-2.4 0, 0.0 2,-0.4 -0.113 29.5-148.3 -53.2 148.1 61.7 55.9 11.4 39 39 A L E -g 243 0C 0 -7,-2.1 -9,-2.2 203,-0.2 -8,-0.3 -0.908 12.5-123.8-119.5 146.2 62.5 53.7 14.4 40 40 A L E -F 29 0B 0 203,-2.9 33,-0.1 -2,-0.4 -11,-0.1 -0.391 51.6 -79.7 -76.9 167.2 61.5 54.4 18.0 41 41 A R - 0 0 97 31,-0.6 204,-0.4 -13,-0.6 -1,-0.1 -0.379 61.3 -86.9 -68.6 152.4 64.5 54.5 20.4 42 42 A Q > - 0 0 49 1,-0.1 3,-1.5 202,-0.1 2,-0.9 -0.226 33.7-113.5 -59.6 147.8 65.8 51.1 21.5 43 43 A S T 3 S+ 0 0 99 202,-0.3 -1,-0.1 1,-0.3 30,-0.0 0.029 101.7 88.6 -73.4 32.3 64.2 49.4 24.4 44 44 A T T 3 + 0 0 105 -2,-0.9 -1,-0.3 2,-0.1 -2,-0.0 0.681 52.7 113.8-100.5 -22.7 67.6 49.8 26.2 45 45 A I S < S- 0 0 10 -3,-1.5 2,-0.1 1,-0.1 28,-0.1 -0.245 71.4-123.8 -50.5 123.8 66.8 53.3 27.6 46 46 A P > - 0 0 73 0, 0.0 3,-2.5 0, 0.0 6,-0.2 -0.469 14.1-119.4 -73.9 144.3 66.6 52.9 31.4 47 47 A V T 3 S+ 0 0 33 1,-0.3 5,-0.2 47,-0.2 6,-0.1 0.839 114.2 61.9 -48.4 -38.6 63.4 54.0 33.2 48 48 A S T 3 S+ 0 0 76 3,-0.1 -1,-0.3 4,-0.1 -3,-0.0 0.735 79.2 117.9 -62.2 -22.1 65.4 56.6 35.2 49 49 A E S X S- 0 0 52 -3,-2.5 3,-1.1 1,-0.2 4,-0.2 -0.112 71.2-132.0 -48.3 139.8 66.3 58.2 31.9 50 50 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.453 105.9 41.2 -76.5 0.1 65.1 61.8 31.6 51 51 A S T 3 S+ 0 0 48 -50,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.108 78.5 107.4-133.2 20.6 63.7 61.2 28.2 52 52 A R S < S+ 0 0 23 -3,-1.1 20,-2.2 -5,-0.2 21,-0.4 0.714 83.2 40.9 -69.9 -23.7 62.2 57.7 28.7 53 53 A F E - B 0 71A 0 18,-0.2 -51,-0.6 -4,-0.2 2,-0.4 -0.935 65.2-150.5-131.4 151.2 58.7 59.2 28.6 54 54 A V E -aB 2 70A 0 16,-2.0 16,-2.7 -2,-0.3 2,-0.6 -0.935 20.3-136.9-116.3 143.8 56.7 61.8 26.7 55 55 A L E -aB 3 69A 15 -53,-2.8 -51,-3.9 -2,-0.4 2,-0.6 -0.896 14.9-168.8-106.8 123.1 53.9 63.7 28.3 56 56 A V E -aB 4 68A 1 12,-2.7 12,-2.8 -2,-0.6 2,-0.6 -0.949 6.8-167.0-112.4 116.5 50.7 64.3 26.4 57 57 A E E -aB 5 67A 44 -53,-3.5 -51,-2.5 -2,-0.6 2,-0.5 -0.916 2.5-169.2-109.7 123.8 48.4 66.7 28.0 58 58 A L E -aB 6 66A 3 8,-2.4 8,-1.9 -2,-0.6 2,-0.4 -0.933 3.2-175.7-113.3 132.2 44.8 67.0 26.8 59 59 A T E -aB 7 65A 27 -53,-1.7 -51,-2.2 -2,-0.5 6,-0.2 -0.990 11.7-151.9-127.6 121.7 42.5 69.9 28.0 60 60 A N E > -a 8 0A 4 4,-2.0 3,-1.8 -2,-0.4 -51,-0.2 -0.229 37.4 -90.3 -86.6-179.3 38.9 70.0 27.0 61 61 A A T 3 S+ 0 0 67 -53,-0.7 -52,-0.1 1,-0.3 -1,-0.1 0.783 123.3 61.3 -61.1 -29.2 36.7 73.1 26.6 62 62 A G T 3 S- 0 0 65 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.374 120.9-105.6 -80.0 6.0 35.6 73.0 30.2 63 63 A G S < S+ 0 0 52 -3,-1.8 2,-0.1 1,-0.3 -2,-0.1 0.521 71.5 148.6 84.4 2.6 39.1 73.4 31.3 64 64 A D - 0 0 29 18,-0.0 -4,-2.0 -5,-0.0 2,-0.3 -0.492 24.6-172.6 -70.6 142.3 39.4 69.8 32.3 65 65 A S E +B 59 0A 31 -6,-0.2 18,-0.5 -2,-0.1 2,-0.3 -1.000 16.3 170.0-143.1 139.2 43.0 68.4 31.9 66 66 A I E -BC 58 82A 1 -8,-1.9 -8,-2.4 -2,-0.3 2,-0.5 -0.962 20.5-143.8-140.5 153.9 44.6 65.1 32.2 67 67 A T E -BC 57 81A 0 14,-2.4 14,-2.9 -2,-0.3 2,-0.3 -0.978 7.6-158.1-128.9 121.8 48.1 64.0 31.2 68 68 A A E -BC 56 80A 2 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.5 -0.759 12.8-139.4 -96.4 142.7 49.0 60.6 29.7 69 69 A A E -BC 55 79A 0 10,-3.5 9,-3.1 -2,-0.3 10,-1.1 -0.910 17.8-159.9-103.4 125.5 52.5 59.3 30.0 70 70 A I E -BC 54 77A 0 -16,-2.7 -16,-2.0 -2,-0.5 2,-0.5 -0.913 19.1-124.5-113.2 127.0 53.8 57.5 26.8 71 71 A D E >> -B 53 0A 3 5,-3.2 4,-2.5 -2,-0.5 3,-1.3 -0.551 16.3-149.1 -69.0 119.0 56.6 55.1 26.8 72 72 A V T 34 S+ 0 0 2 -20,-2.2 -31,-0.6 -2,-0.5 -1,-0.2 0.694 91.3 60.5 -63.5 -20.0 59.1 56.4 24.2 73 73 A T T 34 S+ 0 0 9 -21,-0.4 172,-0.5 -33,-0.1 -1,-0.2 0.667 127.8 5.5 -85.7 -15.2 60.3 52.9 23.3 74 74 A N T <4 S- 0 0 21 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.355 92.5-115.1-148.6 3.9 56.9 51.6 22.1 75 75 A L < + 0 0 0 -4,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.659 63.2 152.7 64.0 16.6 54.4 54.5 22.2 76 76 A Y - 0 0 116 -5,-0.5 -5,-3.2 88,-0.1 2,-0.6 -0.506 50.3-125.5 -75.4 146.5 52.5 52.7 24.9 77 77 A V E +C 70 0A 7 -7,-0.3 -7,-0.3 -2,-0.2 36,-0.2 -0.847 33.6 175.8 -88.2 122.1 50.4 54.8 27.3 78 78 A V E - 0 0 6 -9,-3.1 11,-2.5 -2,-0.6 2,-0.3 0.657 57.3 -17.1-105.0 -18.0 51.8 53.6 30.7 79 79 A A E -CD 69 88A 0 -10,-1.1 -10,-3.5 9,-0.2 -1,-0.3 -0.977 54.5-143.9-170.8 169.8 49.9 56.0 33.0 80 80 A Y E -CD 68 87A 5 7,-1.8 7,-3.1 -2,-0.3 2,-0.4 -0.986 10.3-138.9-146.8 157.3 47.9 59.2 33.3 81 81 A Q E +CD 67 86A 39 -14,-2.9 -14,-2.4 -2,-0.3 2,-0.4 -0.963 17.7 175.5-121.5 134.6 47.6 62.0 35.8 82 82 A A E > -CD 66 85A 1 3,-2.8 3,-2.3 -2,-0.4 -16,-0.1 -0.971 64.4 -42.6-138.1 118.7 44.3 63.7 36.8 83 83 A G T 3 S- 0 0 20 -18,-0.5 61,-0.1 -2,-0.4 60,-0.0 -0.399 125.0 -21.6 61.1-130.5 44.3 66.3 39.5 84 84 A Q T 3 S+ 0 0 113 -2,-0.1 21,-2.6 -3,-0.1 2,-0.3 0.130 124.2 89.6 -97.4 20.5 46.5 65.1 42.4 85 85 A Q E < -De 82 105A 39 -3,-2.3 -3,-2.8 19,-0.2 2,-0.4 -0.888 52.2-169.5-121.4 152.5 46.2 61.5 41.3 86 86 A S E -De 81 106A 0 19,-2.4 21,-2.0 -2,-0.3 2,-0.5 -0.990 8.0-155.8-135.7 142.9 48.1 59.3 38.9 87 87 A Y E -De 80 107A 22 -7,-3.1 -7,-1.8 -2,-0.4 2,-0.5 -0.981 4.2-155.7-126.2 128.8 47.2 55.9 37.6 88 88 A F E -De 79 108A 2 19,-3.2 21,-3.3 -2,-0.5 -9,-0.2 -0.877 16.1-131.0-106.3 127.2 49.6 53.3 36.4 89 89 A L > - 0 0 6 -11,-2.5 3,-1.0 -2,-0.5 23,-0.2 -0.372 38.9 -92.6 -69.3 153.4 48.6 50.6 34.0 90 90 A K T 3 S+ 0 0 94 21,-2.3 23,-0.4 1,-0.2 -1,-0.1 -0.358 113.4 27.3 -63.9 145.8 49.6 47.1 34.9 91 91 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.2 21,-0.1 3,-0.1 0.789 82.2 157.5 70.8 26.6 52.9 46.1 33.4 92 92 A A < - 0 0 27 -3,-1.0 -1,-0.2 1,-0.2 3,-0.1 -0.417 61.5 -73.0 -73.0 160.9 54.1 49.7 33.3 93 93 A P > - 0 0 25 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.366 58.1-101.9 -61.0 132.2 57.9 49.8 33.2 94 94 A A T 3 S+ 0 0 92 1,-0.3 -47,-0.2 2,-0.1 0, 0.0 -0.289 111.9 27.1 -52.4 128.8 59.4 48.8 36.6 95 95 A G T 3> S+ 0 0 33 -3,-0.1 4,-0.5 -48,-0.1 -1,-0.3 0.507 84.3 118.1 93.8 4.6 60.4 52.1 38.2 96 96 A A H X> + 0 0 3 -3,-2.1 4,-3.8 1,-0.2 3,-1.0 0.897 69.6 57.6 -70.9 -39.9 57.9 54.2 36.4 97 97 A E H 34 S+ 0 0 74 1,-0.3 -1,-0.2 -4,-0.3 -3,-0.1 0.728 102.5 54.0 -64.7 -22.8 56.1 55.3 39.6 98 98 A T H 34 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.671 122.0 29.4 -85.7 -14.8 59.2 56.8 41.1 99 99 A Q H << S+ 0 0 63 -3,-1.0 2,-0.5 -4,-0.5 3,-0.5 0.724 106.5 79.3-110.2 -33.0 59.8 58.9 38.0 100 100 A D S < S- 0 0 0 -4,-3.8 -1,-0.1 1,-0.2 -14,-0.0 -0.686 108.7 -14.6 -88.3 125.6 56.3 59.6 36.7 101 101 A F S > S- 0 0 27 -2,-0.5 3,-1.2 1,-0.1 -1,-0.2 0.922 76.8-161.0 54.6 54.3 54.0 62.2 38.3 102 102 A A T 3 S+ 0 0 82 -3,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.348 71.6 35.2 -63.0 141.5 55.9 62.7 41.5 103 103 A G T 3 S+ 0 0 82 1,-0.4 2,-0.3 -2,-0.0 -1,-0.2 0.531 95.3 104.1 92.2 5.2 53.8 64.3 44.2 104 104 A T S < S- 0 0 28 -3,-1.2 2,-0.5 -19,-0.0 -1,-0.4 -0.771 80.5-102.1-115.2 163.1 50.5 62.6 43.3 105 105 A T E -e 85 0A 88 -21,-2.6 -19,-2.4 -2,-0.3 2,-0.4 -0.752 46.2-141.2 -83.4 129.8 48.7 59.8 45.0 106 106 A R E +e 86 0A 86 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.790 23.2 177.3-103.5 136.5 49.5 56.7 42.9 107 107 A S E -e 87 0A 41 -21,-2.0 -19,-3.2 -2,-0.4 2,-0.5 -0.900 23.9-127.5-130.6 159.0 47.2 53.8 42.0 108 108 A S E -e 88 0A 89 -2,-0.3 -19,-0.2 -21,-0.2 -18,-0.1 -0.925 17.8-139.1-111.2 127.6 47.5 50.7 39.8 109 109 A L - 0 0 7 -21,-3.3 -19,-0.1 -2,-0.5 40,-0.0 -0.502 16.9-128.9 -78.3 151.8 45.0 49.9 37.1 110 110 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.518 87.1 60.5 -79.4 -2.7 44.0 46.2 36.8 111 111 A F S S- 0 0 0 7,-0.0 -21,-2.3 2,-0.0 2,-0.2 -0.879 72.2-136.1-125.4 155.1 44.7 46.1 33.1 112 112 A N - 0 0 27 -2,-0.3 -21,-0.1 -23,-0.2 -34,-0.1 -0.508 37.3-104.8 -95.7 175.2 47.7 46.7 30.9 113 113 A G S S+ 0 0 27 -23,-0.4 2,-0.3 -2,-0.2 -36,-0.1 0.100 83.8 111.2 -89.2 26.2 47.4 48.8 27.7 114 114 A S S > S- 0 0 48 -38,-0.1 4,-3.6 4,-0.0 5,-0.3 -0.707 70.8 -89.9-103.4 152.1 47.5 45.8 25.4 115 115 A Y T 4 S+ 0 0 48 1,-0.3 -2,-0.1 -2,-0.3 0, 0.0 -0.770 107.9 18.1 -88.5 139.4 44.8 44.2 23.3 116 116 A P T > S+ 0 0 88 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 -0.948 122.6 57.8 -93.7 7.3 42.9 42.0 24.3 117 117 A D H >> S+ 0 0 7 2,-0.2 3,-0.9 1,-0.2 4,-0.7 0.968 109.1 47.1 -61.8 -50.6 43.5 42.7 28.0 118 118 A L H >X S+ 0 0 0 -4,-3.6 4,-3.2 1,-0.3 3,-1.6 0.919 109.4 54.4 -55.0 -45.5 42.4 46.3 27.7 119 119 A E H 3> S+ 0 0 23 -5,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.769 95.0 69.6 -60.0 -28.4 39.3 45.2 25.7 120 120 A R H << S+ 0 0 168 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.803 116.2 24.0 -60.6 -29.9 38.5 42.8 28.6 121 121 A Y H << S+ 0 0 72 -3,-1.6 -2,-0.2 -4,-0.7 33,-0.2 0.806 130.1 41.7-102.4 -41.7 37.7 45.9 30.7 122 122 A A H < S- 0 0 2 -4,-3.2 -3,-0.2 1,-0.2 2,-0.2 0.772 103.3-123.3 -79.5 -28.1 36.9 48.5 28.0 123 123 A G < - 0 0 9 -4,-2.4 2,-0.3 -5,-0.3 -1,-0.2 -0.512 53.9 -27.1 105.6 179.2 34.8 46.4 25.6 124 124 A H > - 0 0 118 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.501 45.4-140.9 -76.2 131.7 35.4 45.8 21.9 125 125 A R G > S+ 0 0 37 1,-0.3 3,-1.3 -2,-0.3 -1,-0.1 0.833 101.7 63.4 -53.4 -37.3 37.3 48.4 19.8 126 126 A D G 3 S+ 0 0 76 1,-0.2 -1,-0.3 61,-0.1 -2,-0.1 0.463 107.4 43.1 -72.8 3.7 35.0 47.7 16.9 127 127 A Q G < S+ 0 0 135 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.322 93.4 92.0-125.9 4.0 32.1 49.0 19.0 128 128 A I S < S- 0 0 14 -3,-1.3 -1,-0.1 -4,-0.4 58,-0.1 -0.883 72.0-134.3-107.9 109.1 33.7 52.1 20.6 129 129 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.183 18.6-159.5 -58.8 150.4 33.2 55.3 18.7 130 130 A L B +H 186 0D 0 56,-2.9 56,-2.5 31,-0.0 2,-0.3 -0.846 35.8 92.4-127.5 161.7 36.2 57.7 18.1 131 131 A G S > S- 0 0 0 -2,-0.3 4,-1.6 54,-0.2 54,-0.1 -0.837 86.0 -57.2 140.9-177.2 36.3 61.4 17.3 132 132 A I H > S+ 0 0 6 52,-0.3 4,-3.1 -2,-0.3 5,-0.2 0.882 129.6 54.8 -66.6 -39.8 36.6 64.7 19.0 133 133 A D H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.932 111.3 46.7 -59.0 -42.9 33.4 64.2 21.1 134 134 A Q H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.824 111.8 49.7 -68.5 -32.4 35.0 61.0 22.4 135 135 A L H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.958 113.2 47.2 -69.2 -50.1 38.4 62.7 23.1 136 136 A I H X S+ 0 0 27 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.921 114.6 46.6 -55.3 -47.8 36.6 65.5 25.0 137 137 A A H X S+ 0 0 55 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.827 106.9 57.6 -67.4 -32.8 34.5 62.9 26.9 138 138 A S H X S+ 0 0 3 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.899 106.0 50.2 -65.3 -37.8 37.6 60.8 27.7 139 139 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.954 113.3 45.4 -64.3 -48.4 39.3 63.8 29.3 140 140 A T H X S+ 0 0 56 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.943 112.5 50.1 -60.0 -49.5 36.2 64.5 31.5 141 141 A A H < S+ 0 0 37 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.849 117.3 41.3 -59.5 -35.3 35.7 60.8 32.4 142 142 A L H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.883 107.5 61.0 -80.2 -40.3 39.4 60.5 33.5 143 143 A R H < S+ 0 0 64 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.896 97.8 59.9 -55.7 -46.8 39.7 63.9 35.2 144 144 A F S >< S- 0 0 103 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.1 -0.767 83.4-125.1 -98.9 129.2 37.1 63.4 37.9 145 145 A P T 3 S+ 0 0 81 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.255 81.5 64.6 -61.2 147.6 37.4 60.5 40.5 146 146 A G T 3 + 0 0 85 1,-0.3 -5,-0.0 -5,-0.0 -2,-0.0 0.051 65.5 123.7 126.1 -27.0 34.4 58.1 40.8 147 147 A G < - 0 0 51 -3,-0.7 -1,-0.3 -6,-0.3 2,-0.1 -0.023 64.3 -98.7 -64.2 169.4 34.1 56.3 37.5 148 148 A S > - 0 0 61 1,-0.1 4,-1.6 4,-0.0 5,-0.1 -0.421 30.4-116.0 -80.4 162.2 34.2 52.5 36.9 149 149 A T H > S+ 0 0 61 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.877 118.8 63.2 -68.7 -28.2 37.4 50.9 35.8 150 150 A R H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 102.9 47.5 -58.0 -42.2 35.5 50.1 32.6 151 151 A T H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 111.9 50.2 -67.7 -33.9 35.2 53.8 32.0 152 152 A Q H X S+ 0 0 33 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.953 113.3 46.2 -67.2 -48.6 38.9 54.2 32.7 153 153 A A H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.2 -2,-0.2 0.914 112.8 48.1 -60.1 -46.8 39.8 51.5 30.3 154 154 A R H X S+ 0 0 84 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.902 112.7 50.1 -62.0 -40.7 37.5 52.7 27.5 155 155 A S H X S+ 0 0 3 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.931 112.6 45.1 -64.1 -45.8 38.9 56.2 27.9 156 156 A I H X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.912 109.7 56.4 -65.2 -38.7 42.4 55.0 27.7 157 157 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.895 107.9 48.6 -59.1 -38.1 41.5 52.8 24.8 158 158 A I H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.912 111.6 48.8 -69.7 -40.4 40.3 55.9 23.0 159 159 A L H X>S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 5,-0.6 0.941 109.0 53.3 -63.5 -47.8 43.4 57.8 23.8 160 160 A I H <>S+ 0 0 10 -4,-3.4 5,-2.8 1,-0.2 6,-0.3 0.912 112.8 43.3 -54.3 -45.8 45.6 55.0 22.6 161 161 A Q H <5S+ 0 0 0 -4,-1.9 5,-0.4 -5,-0.2 -1,-0.2 0.865 117.9 42.4 -73.0 -34.5 43.9 54.8 19.2 162 162 A M H <5S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.628 132.3 20.8 -88.2 -9.3 43.7 58.5 18.5 163 163 A I T X5S+ 0 0 6 -4,-1.8 4,-2.2 -5,-0.2 -3,-0.2 0.682 130.0 32.1-117.0 -72.4 47.2 59.2 19.8 164 164 A S H >X -I 240 0E 0 -4,-2.8 4,-2.3 71,-0.2 3,-0.5 -0.959 56.0-157.5-127.3 122.6 49.9 54.7 11.1 170 170 A N H 3> S+ 0 0 14 69,-2.9 4,-3.3 -2,-0.4 5,-0.3 0.821 96.6 60.7 -61.5 -34.6 49.2 57.4 8.6 171 171 A P H 3> S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.898 110.8 42.3 -60.9 -36.7 45.9 55.8 7.6 172 172 A I H <> S+ 0 0 2 -3,-0.5 4,-2.8 -7,-0.2 5,-0.3 0.900 113.8 50.6 -75.1 -41.9 44.7 56.3 11.2 173 173 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 -7,-0.4 -3,-0.2 0.941 113.8 45.7 -60.2 -47.1 46.2 59.8 11.5 174 174 A W H X S+ 0 0 37 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.910 113.9 48.8 -64.5 -41.5 44.5 60.8 8.3 175 175 A R H X S+ 0 0 45 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.917 112.6 46.2 -65.2 -45.4 41.1 59.2 9.3 176 176 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.921 112.6 52.5 -63.7 -41.9 41.1 60.8 12.8 177 177 A R H X S+ 0 0 74 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.924 108.1 49.8 -59.4 -47.3 42.0 64.1 11.3 178 178 A Q H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 6,-0.2 0.938 113.8 44.6 -57.3 -50.9 39.2 64.0 8.7 179 179 A Y H X>S+ 0 0 62 -4,-2.2 4,-1.3 1,-0.2 5,-0.6 0.825 110.0 55.0 -66.5 -30.5 36.6 63.1 11.4 180 180 A I H <5S+ 0 0 8 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.915 108.1 51.2 -68.3 -37.8 37.9 65.8 13.7 181 181 A N H <5S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 117.5 36.4 -62.3 -44.8 37.5 68.3 10.9 182 182 A S H <5S- 0 0 78 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.552 102.4-129.0 -85.9 -8.7 33.9 67.3 10.3 183 183 A G T <5 + 0 0 38 -4,-1.3 -50,-0.2 1,-0.2 -3,-0.2 0.548 62.0 139.2 72.5 4.8 33.0 66.7 13.9 184 184 A A < - 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