==== 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 31-DEC-04 1YF8 . COMPND 2 MOLECULE: BETA-GALACTOSIDE-SPECIFIC LECTIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR V.MISHRA,S.BILGRAMI,R.S.SHARMA,P.KAUR,S.YADAV,C.BETZEL,C.R.B . 495 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 23.4 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 . 6 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 . 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 . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 16.0 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+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 0 0 1 0 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 7 7 7 7 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 2 3 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 1 A Y 0 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-118.9 60.4 70.4 32.7 2 2 A E - 0 0 38 93,-0.1 52,-0.6 48,-0.1 50,-0.1 0.062 360.0 -83.2-129.7 23.4 59.5 67.7 30.1 3 3 A R - 0 0 118 50,-0.1 51,-2.0 1,-0.1 2,-0.5 0.918 38.1-148.4 77.8 96.7 58.0 69.3 26.9 4 4 A L E -a 54 0A 46 49,-0.1 2,-0.5 51,-0.1 51,-0.2 -0.851 1.9-158.2 -95.3 125.8 54.3 70.3 26.7 5 5 A D E -a 55 0A 16 49,-3.0 51,-3.6 -2,-0.5 2,-0.6 -0.956 20.8-148.0 -97.9 126.8 52.5 70.0 23.3 6 6 A L E +a 56 0A 114 -2,-0.5 2,-0.4 49,-0.2 51,-0.2 -0.850 21.4 174.0-106.6 115.1 49.5 72.4 23.6 7 7 A D E -a 57 0A 19 49,-2.9 51,-1.8 -2,-0.6 2,-0.5 -0.916 21.4-151.4-129.2 119.7 46.2 71.7 21.8 8 8 A V E -a 58 0A 81 -2,-0.4 2,-0.7 49,-0.2 51,-0.2 -0.661 15.7-165.3 -82.0 122.1 42.9 73.6 22.1 9 9 A T + 0 0 3 49,-3.1 51,-0.5 -2,-0.5 2,-0.1 -0.861 44.0 96.7-117.6 94.3 40.1 71.2 21.4 10 10 A S S S- 0 0 26 -2,-0.7 2,-1.2 49,-0.2 121,-0.1 -0.306 100.5 -30.9-142.2-134.2 36.7 73.0 20.7 11 11 A Q S S+ 0 0 135 -2,-0.1 2,-0.2 116,-0.0 -2,-0.1 -0.661 98.1 144.1 -95.6 77.8 35.1 73.9 17.4 12 12 A T - 0 0 23 -2,-1.2 2,-0.2 -4,-0.1 115,-0.1 -0.604 49.1 -83.5-112.5 170.4 38.7 74.3 15.9 13 13 A T >> - 0 0 71 -2,-0.2 4,-1.5 1,-0.1 3,-0.8 -0.486 22.0-126.4 -98.3 149.9 40.3 73.6 12.4 14 14 A G H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.695 110.2 55.6 -65.1 -28.1 41.7 70.4 10.9 15 15 A E H 3> S+ 0 0 90 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.879 103.8 55.9 -65.4 -41.6 45.0 71.9 10.0 16 16 A E H <> S+ 0 0 96 -3,-0.8 4,-1.6 1,-0.2 -2,-0.2 0.924 107.3 51.1 -58.2 -43.9 45.4 72.9 13.7 17 17 A Y H X S+ 0 0 5 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.921 114.2 41.0 -58.3 -48.0 44.9 69.2 14.5 18 18 A F H X S+ 0 0 24 -4,-1.8 4,-3.5 2,-0.2 -2,-0.2 0.834 109.6 55.3 -82.4 -22.1 47.5 68.0 12.1 19 19 A R H X S+ 0 0 172 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.878 109.1 53.1 -63.2 -35.2 50.2 70.7 12.8 20 20 A F H X S+ 0 0 14 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.810 112.6 42.6 -67.2 -32.9 49.7 69.4 16.4 21 21 A I H X S+ 0 0 0 -4,-1.0 4,-3.2 2,-0.2 -2,-0.2 0.908 109.1 55.9 -82.0 -44.3 50.4 65.9 15.2 22 22 A T H X S+ 0 0 50 -4,-3.5 4,-3.3 2,-0.2 -2,-0.2 0.913 110.2 49.5 -45.6 -47.0 53.3 66.9 12.9 23 23 A L H X S+ 0 0 81 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.960 109.7 48.0 -64.2 -50.1 54.7 68.4 16.1 24 24 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.925 113.8 50.0 -50.3 -43.6 54.2 65.3 18.2 25 25 A R H X S+ 0 0 37 -4,-3.2 4,-0.9 1,-0.2 -2,-0.2 0.937 109.8 49.3 -66.3 -50.3 55.7 63.3 15.3 26 26 A D H >< S+ 0 0 87 -4,-3.3 3,-1.4 1,-0.2 -1,-0.2 0.949 110.8 51.6 -49.5 -56.2 58.8 65.6 15.1 27 27 A Y H 3< S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.0 46.3 -57.5 -39.8 59.4 65.4 18.9 28 28 A V H 3< S+ 0 0 0 -4,-2.2 13,-0.7 -5,-0.2 2,-0.5 0.644 87.2 110.9 -81.3 -9.1 59.3 61.6 19.2 29 29 A S E << -F 40 0B 35 -3,-1.4 11,-0.2 -4,-0.9 4,-0.1 -0.556 56.6-156.5 -72.8 116.8 61.6 61.2 16.2 30 30 A S E - 0 0 34 9,-2.4 -1,-0.1 -2,-0.5 10,-0.1 0.924 39.7-108.9 -52.2 -53.7 65.1 60.0 17.3 31 31 A G E S+ 0 0 54 1,-0.6 2,-0.1 8,-0.5 -1,-0.1 -0.211 89.1 96.1 137.9 -44.1 67.0 61.3 14.3 32 32 A S E - 0 0 74 7,-0.2 7,-2.1 8,-0.1 -1,-0.6 -0.483 52.9-165.5 -79.8 149.5 67.7 57.8 12.7 33 33 A F E -F 38 0B 117 5,-0.2 2,-0.4 -2,-0.1 202,-0.0 -0.789 11.6-144.3-120.1 164.5 65.6 56.3 9.9 34 34 A S E > S-F 37 0B 20 3,-2.8 3,-1.3 -2,-0.3 167,-0.1 -0.966 84.8 -12.3-136.2 125.9 65.4 52.8 8.5 35 35 A N T 3 S- 0 0 56 -2,-0.4 -1,-0.1 1,-0.2 166,-0.0 0.931 134.0 -50.2 42.4 52.4 64.8 52.3 4.8 36 36 A E T 3 S+ 0 0 103 1,-0.2 -1,-0.2 419,-0.0 420,-0.2 0.436 116.6 113.7 82.4 -1.5 63.9 56.0 4.6 37 37 A I E < -F 34 0B 0 -3,-1.3 -3,-2.8 419,-0.0 -1,-0.2 -0.928 67.9-108.3-115.6 133.3 61.4 55.9 7.5 38 38 A P E -F 33 0B 15 0, 0.0 198,-2.4 0, 0.0 2,-0.4 -0.116 27.2-153.4 -53.0 141.0 61.7 57.6 11.0 39 39 A L E -g 236 0C 8 -7,-2.1 -9,-2.4 196,-0.2 -8,-0.5 -0.957 13.3-127.4-117.4 138.5 62.4 55.7 14.2 40 40 A L E -F 29 0B 1 196,-2.2 -11,-0.2 -2,-0.4 32,-0.1 -0.224 51.3 -78.7 -59.6 165.7 61.4 56.6 17.8 41 41 A R - 0 0 86 -13,-0.7 197,-0.4 30,-0.5 -1,-0.2 -0.269 60.5 -86.5 -68.1 162.5 64.4 56.6 20.3 42 42 A Q - 0 0 119 1,-0.1 3,-0.3 -3,-0.1 -1,-0.1 -0.462 25.4-133.5 -77.7 146.3 65.5 53.1 21.6 43 43 A S S S+ 0 0 89 1,-0.2 -1,-0.1 195,-0.2 29,-0.1 0.924 98.2 68.4 -65.6 -48.8 63.9 51.5 24.6 44 44 A G S S+ 0 0 77 1,-0.2 2,-1.0 2,-0.0 -1,-0.2 0.868 93.5 66.6 -29.7 -55.5 67.1 50.5 26.5 45 45 A G S S+ 0 0 50 -3,-0.3 2,-0.3 27,-0.0 -1,-0.2 -0.604 82.8 131.3 -82.9 99.1 67.8 54.2 27.1 46 46 A G + 0 0 30 -2,-1.0 3,-0.1 1,-0.1 -3,-0.0 -0.878 25.6 44.5-150.6 174.7 65.1 55.4 29.4 47 47 A V S S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.697 85.7 103.7 60.9 36.1 63.5 57.2 32.5 48 48 A E S S- 0 0 119 -3,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.295 84.4 -48.6-112.1-132.0 65.7 60.4 32.1 49 49 A A S S+ 0 0 78 1,-0.1 3,-0.3 2,-0.1 -2,-0.0 0.942 127.7 24.1 -82.3 -58.6 65.3 64.0 30.8 50 50 A A S S+ 0 0 37 1,-0.2 -1,-0.1 3,-0.0 -48,-0.1 0.045 90.5 112.4-101.5 29.1 63.5 63.9 27.3 51 51 A R S S+ 0 0 28 -3,-0.1 20,-1.5 20,-0.1 21,-0.5 0.576 70.4 45.7 -80.8 -17.0 61.9 60.5 27.9 52 52 A F E - B 0 70A 10 -3,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.951 64.9-146.2-130.4 146.6 58.3 61.6 28.0 53 53 A V E - B 0 69A 0 16,-2.9 16,-3.1 -2,-0.4 2,-0.6 -0.978 11.5-152.1-114.6 122.8 56.0 63.8 26.0 54 54 A L E -aB 4 68A 13 -51,-2.0 -49,-3.0 -52,-0.6 2,-0.5 -0.822 12.9-171.1 -86.3 117.0 53.3 65.8 27.8 55 55 A V E -aB 5 67A 1 12,-3.0 12,-3.1 -2,-0.6 2,-0.6 -0.957 6.6-158.2-113.0 132.4 50.5 66.5 25.4 56 56 A E E -aB 6 66A 34 -51,-3.6 -49,-2.9 -2,-0.5 2,-0.4 -0.911 8.6-171.0-121.7 107.6 47.8 68.9 26.8 57 57 A L E +aB 7 65A 2 8,-0.9 8,-2.7 -2,-0.6 2,-0.4 -0.805 7.1 179.5 -91.6 136.8 44.3 69.1 25.5 58 58 A T E -aB 8 64A 25 -51,-1.8 -49,-3.1 -2,-0.4 6,-0.2 -0.999 11.9-150.9-130.1 133.8 42.0 71.9 26.7 59 59 A N > - 0 0 7 4,-2.1 3,-1.4 -2,-0.4 -49,-0.2 -0.386 34.9 -90.4 -94.6-180.0 38.4 72.5 25.6 60 60 A E T 3 S+ 0 0 117 -51,-0.5 -50,-0.1 1,-0.3 -1,-0.1 0.805 122.2 58.7 -55.3 -39.8 36.1 75.5 25.3 61 61 A G T 3 S- 0 0 61 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.163 118.9-110.3 -79.7 21.9 34.8 75.3 28.8 62 62 A G < + 0 0 54 -3,-1.4 2,-0.7 1,-0.2 -2,-0.1 0.639 68.2 148.7 59.1 15.1 38.4 75.7 30.0 63 63 A D - 0 0 40 2,-0.0 -4,-2.1 0, 0.0 2,-0.4 -0.734 27.9-170.6 -77.6 120.4 38.6 72.1 31.3 64 64 A S E +B 58 0A 38 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.2 -0.868 15.1 170.2-118.3 142.0 42.2 71.1 30.8 65 65 A I E -B 57 0A 3 -8,-2.7 -8,-0.9 -2,-0.4 2,-0.4 -0.963 17.7-143.6-138.6 165.2 44.0 67.8 31.1 66 66 A T E -BC 56 80A 3 14,-2.3 14,-2.9 -2,-0.3 2,-0.4 -0.993 6.6-157.4-135.1 133.6 47.5 66.4 30.3 67 67 A A E -BC 55 79A 2 -12,-3.1 -12,-3.0 -2,-0.4 2,-0.7 -0.850 10.8-142.5-110.5 144.1 48.7 63.0 29.0 68 68 A A E -BC 54 78A 0 10,-3.0 9,-3.9 -2,-0.4 10,-1.0 -0.918 19.3-172.4-105.5 105.5 52.1 61.5 29.3 69 69 A I E -BC 53 76A 1 -16,-3.1 -16,-2.9 -2,-0.7 2,-0.6 -0.897 27.5-119.0 -99.9 128.6 53.1 59.5 26.2 70 70 A D E >> -B 52 0A 4 5,-2.8 4,-2.5 -2,-0.5 3,-2.0 -0.547 11.0-149.5 -61.4 111.0 56.4 57.4 26.3 71 71 A V T 34 S+ 0 0 3 -20,-1.5 -30,-0.5 -2,-0.6 -1,-0.2 0.768 96.2 68.1 -51.9 -26.8 58.7 58.8 23.6 72 72 A T T 34 S- 0 0 16 -21,-0.5 166,-0.4 1,-0.1 -1,-0.3 0.776 126.7 -5.7 -60.9 -32.4 59.9 55.1 23.5 73 73 A N T <4 S- 0 0 30 -3,-2.0 -2,-0.2 2,-0.2 -1,-0.1 0.288 89.8-107.8-155.4 9.7 56.6 53.7 22.0 74 74 A L < + 0 0 0 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.609 69.8 146.7 58.8 14.7 53.9 56.4 21.7 75 75 A Y - 0 0 96 -5,-0.4 -5,-2.8 83,-0.1 2,-0.6 -0.581 51.7-125.1 -75.5 141.9 52.0 54.8 24.7 76 76 A V E +C 69 0A 7 -7,-0.3 -7,-0.3 -2,-0.2 32,-0.2 -0.781 31.7 174.6 -82.9 121.7 50.0 56.9 27.1 77 77 A V E - 0 0 11 -9,-3.9 11,-2.3 -2,-0.6 2,-0.3 0.756 59.9 -10.0-104.9 -28.5 51.3 56.1 30.6 78 78 A A E -CD 68 87A 0 -10,-1.0 -10,-3.0 9,-0.2 -1,-0.4 -0.965 52.3-148.7-151.5 171.1 49.4 58.5 32.7 79 79 A Y E -CD 67 86A 0 7,-1.2 7,-2.0 -2,-0.3 2,-0.4 -0.973 12.2-145.7-135.8 148.6 47.3 61.6 32.6 80 80 A Q E +CD 66 85A 55 -14,-2.9 -14,-2.3 -2,-0.3 5,-0.2 -0.890 21.1 169.8-106.3 143.2 47.1 64.4 35.1 81 81 A A - 0 0 11 3,-2.0 -1,-0.1 -2,-0.4 -17,-0.1 0.692 64.8 -25.2-115.7 -77.2 43.7 66.1 35.7 82 82 A G S S- 0 0 24 -17,-0.0 57,-0.0 56,-0.0 56,-0.0 0.611 124.1 -34.7-103.7-100.9 43.4 68.5 38.6 83 83 A S S S+ 0 0 98 -3,-0.1 17,-1.9 2,-0.0 2,-0.3 -0.275 122.5 100.2-110.6 36.5 45.8 67.8 41.3 84 84 A Q B -h 100 0D 55 15,-0.2 -3,-2.0 2,-0.0 2,-0.3 -0.880 52.5-165.1-119.9 157.5 45.4 64.1 40.4 85 85 A S E -D 80 0A 0 15,-1.8 2,-0.4 -2,-0.3 -5,-0.2 -0.978 3.6-160.8-138.3 146.9 47.5 61.7 38.4 86 86 A Y E -D 79 0A 36 -7,-2.0 -7,-1.2 -2,-0.3 2,-0.5 -0.941 5.3-163.6-140.4 111.4 46.4 58.3 37.1 87 87 A F E -De 78 103A 21 15,-3.0 17,-2.6 -2,-0.4 -9,-0.2 -0.827 4.5-156.6-101.8 122.4 49.0 55.8 36.0 88 88 A L - 0 0 10 -11,-2.3 2,-1.3 -2,-0.5 19,-0.3 -0.137 53.0 -66.3 -80.1-167.4 48.0 52.8 33.9 89 89 A S S S+ 0 0 79 17,-1.0 18,-0.1 14,-0.1 -1,-0.1 -0.396 96.1 98.5 -90.8 64.7 50.2 49.7 34.1 90 90 A G - 0 0 56 -2,-1.3 3,-0.1 -13,-0.3 -13,-0.0 -0.290 63.4 -16.5-123.5-147.7 53.6 50.9 32.5 91 91 A P S S- 0 0 55 0, 0.0 2,-3.5 0, 0.0 -1,-0.2 0.502 86.7 -45.6 -72.5-172.4 57.2 52.1 33.6 92 92 A G S S- 0 0 52 1,-0.0 2,-0.1 0, 0.0 0, 0.0 0.025 79.3-122.4 -47.9 30.8 59.2 53.5 36.6 93 93 A T + 0 0 60 -2,-3.5 -46,-0.0 1,-0.1 -1,-0.0 -0.314 61.3 87.8 77.6-144.6 56.4 56.2 37.7 94 94 A H + 0 0 129 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.055 19.2 127.5 50.2-139.0 56.6 60.1 38.2 95 95 A L S S+ 0 0 21 1,-0.1 -93,-0.1 -43,-0.0 -1,-0.1 0.183 78.9 61.1 79.3 -14.9 56.1 63.0 35.8 96 96 A F S S- 0 0 11 3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 -0.300 71.3-178.1-147.5 48.8 53.5 64.9 37.9 97 97 A T S S+ 0 0 120 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.098 70.0 35.0 -49.3 154.5 55.5 65.6 41.0 98 98 A G S S+ 0 0 84 1,-0.2 2,-0.3 -15,-0.0 -1,-0.2 0.981 99.8 108.1 54.4 56.3 53.3 67.5 43.6 99 99 A T S S- 0 0 21 -14,-0.0 2,-0.7 -19,-0.0 -1,-0.2 -0.949 79.2-107.0-153.5 144.4 50.2 65.5 42.6 100 100 A T B -h 84 0D 87 -17,-1.9 -15,-1.8 -2,-0.3 2,-0.1 -0.671 42.2-143.6 -74.0 117.3 48.3 62.7 44.3 101 101 A R + 0 0 149 -2,-0.7 2,-0.3 -17,-0.2 -15,-0.2 -0.433 24.0 172.9 -80.4 156.6 49.1 59.6 42.4 102 102 A S - 0 0 42 -17,-0.1 -15,-3.0 -2,-0.1 2,-0.5 -0.956 24.9-129.8-159.3 147.5 46.6 56.8 41.6 103 103 A S B -e 87 0A 107 -2,-0.3 -15,-0.2 -17,-0.2 -14,-0.1 -0.917 13.3-143.5-111.4 130.9 46.9 53.7 39.5 104 104 A L - 0 0 9 -17,-2.6 -2,-0.0 -2,-0.5 -18,-0.0 -0.557 21.5-122.8 -81.6 155.5 44.3 52.7 36.9 105 105 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 0.104 84.6 61.5 -91.5 25.8 43.6 48.9 36.5 106 106 A F - 0 0 2 10,-0.0 -17,-1.0 37,-0.0 2,-0.2 -0.984 65.9-140.6-142.5 154.7 44.4 48.7 32.7 107 107 A N - 0 0 56 -2,-0.3 2,-0.2 -19,-0.3 6,-0.1 -0.607 39.6 -97.4-104.6 175.9 47.4 49.2 30.4 108 108 A G S S+ 0 0 26 -2,-0.2 2,-0.3 -32,-0.2 -32,-0.1 0.026 81.7 128.4 -80.4 28.7 47.4 50.8 26.9 109 109 A S > - 0 0 51 -2,-0.2 4,-3.4 1,-0.1 5,-0.4 -0.726 65.9-114.9-102.4 143.1 47.3 47.4 25.4 110 110 A Y H > S+ 0 0 129 -2,-0.3 4,-1.9 1,-0.2 5,-0.4 0.829 105.7 28.0 -39.9 -85.1 44.9 46.1 22.8 111 111 A P H > S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 125.9 48.8 -51.6 -39.7 42.8 43.3 24.3 112 112 A D H > S+ 0 0 49 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.918 107.8 47.6 -68.5 -53.8 43.1 44.7 27.8 113 113 A L H >X S+ 0 0 4 -4,-3.4 4,-2.8 1,-0.2 3,-1.3 0.921 114.7 49.0 -57.6 -42.9 42.2 48.4 27.4 114 114 A E H 3X S+ 0 0 23 -4,-1.9 4,-3.0 -5,-0.4 -1,-0.2 0.937 98.5 68.1 -59.1 -44.0 39.2 47.3 25.4 115 115 A Q H 3< S+ 0 0 161 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.712 114.5 31.0 -52.3 -18.1 38.3 44.9 28.2 116 116 A Y H << S+ 0 0 72 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.783 127.9 37.3-100.4 -45.1 37.7 48.0 30.1 117 117 A A H < S- 0 0 7 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.655 104.2-113.6 -87.8 -13.4 36.5 50.5 27.4 118 118 A G < - 0 0 31 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.212 58.9 -38.6 88.5 165.6 34.4 48.3 25.1 119 119 A H > - 0 0 87 1,-0.1 3,-1.3 -2,-0.1 0, 0.0 -0.292 43.7-138.0 -65.2 139.4 35.4 47.6 21.5 120 120 A R G > S+ 0 0 37 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.688 98.1 78.0 -64.5 -17.6 37.0 50.4 19.4 121 121 A K G 3 S+ 0 0 108 1,-0.2 -1,-0.2 60,-0.1 -2,-0.1 0.570 106.9 30.9 -71.3 -3.4 34.8 49.3 16.5 122 122 A Q G < S+ 0 0 116 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.208 90.4 100.5-144.5 22.7 32.0 51.1 18.2 123 123 A I S < S- 0 0 12 -3,-1.0 57,-0.1 -5,-0.1 -5,-0.0 -0.911 70.9-132.5-102.5 105.2 33.6 54.1 20.1 124 124 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.244 18.9-156.3 -52.1 151.0 33.0 57.1 17.9 125 125 A L B +I 180 0E 2 55,-2.9 55,-1.6 30,-0.1 2,-0.2 -0.945 38.0 93.5-122.2 151.5 35.9 59.6 17.2 126 126 A G S > S- 0 0 0 -2,-0.3 4,-2.3 53,-0.2 3,-0.3 -0.864 87.0 -61.3 155.8-179.7 35.8 63.3 16.2 127 127 A I H >> S+ 0 0 5 51,-0.3 4,-3.0 -2,-0.2 3,-0.5 0.970 129.7 58.0 -52.5 -51.2 36.0 66.7 17.9 128 128 A D H 3> S+ 0 0 61 49,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.837 110.8 44.1 -46.9 -42.5 32.8 66.0 19.9 129 129 A Q H 3> S+ 0 0 23 -3,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.871 112.7 49.6 -73.3 -35.4 34.5 63.0 21.3 130 130 A L H XX S+ 0 0 6 -4,-2.3 4,-1.5 -3,-0.5 3,-0.7 0.979 114.3 46.1 -65.4 -51.6 37.8 64.7 22.0 131 131 A I H >X S+ 0 0 15 -4,-3.0 4,-1.5 1,-0.3 3,-0.8 0.950 113.8 48.2 -50.3 -57.2 36.0 67.6 23.7 132 132 A Q H 3X S+ 0 0 106 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.3 0.706 107.8 60.6 -62.2 -19.7 33.8 65.1 25.7 133 133 A S H <>S+ 0 0 25 -4,-1.6 3,-0.6 1,-0.3 5,-0.5 0.918 117.4 46.3 -67.5 -35.4 35.3 63.1 31.5 137 137 A L H 3<5S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.878 107.6 57.4 -69.6 -36.9 39.0 62.8 32.2 138 138 A R H 3<5S+ 0 0 83 -4,-4.0 -1,-0.2 -5,-0.2 -2,-0.2 0.709 104.8 72.7 -64.9 -17.4 39.0 66.1 34.1 139 139 A F T <<5S- 0 0 93 -4,-1.2 2,-3.9 -3,-0.6 -57,-0.0 -0.692 104.9 -60.3-119.3 161.0 36.3 64.7 36.4 140 140 A P T 5S- 0 0 125 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.180 71.4-147.9 -10.6 -5.2 35.6 62.2 39.4 141 141 A G < - 0 0 29 -2,-3.9 2,-0.2 -5,-0.5 -4,-0.1 0.823 29.9-179.4 45.4 106.9 36.7 59.2 37.4 142 142 A N > - 0 0 136 1,-0.0 3,-1.0 0, 0.0 2,-0.6 -0.644 43.7-103.4-146.2 112.0 35.5 55.6 37.5 143 143 A T T >> S+ 0 0 37 1,-0.2 4,-2.5 -2,-0.2 3,-0.6 -0.158 105.6 58.6 11.1 -57.3 37.1 53.2 35.2 144 144 A R H 3> S+ 0 0 200 -2,-0.6 4,-2.4 1,-0.3 -1,-0.2 0.908 116.4 40.5 -56.8 -37.0 34.8 52.3 32.1 145 145 A T H <> S+ 0 0 63 -3,-1.0 4,-1.2 2,-0.2 -1,-0.3 0.682 112.5 51.8 -91.8 -19.5 34.8 56.0 31.2 146 146 A Q H <> S+ 0 0 11 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.823 113.8 47.7 -78.0 -35.6 38.4 56.7 31.9 147 147 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.975 109.9 49.5 -63.9 -59.6 39.2 53.8 29.7 148 148 A R H X S+ 0 0 61 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.874 113.0 49.7 -50.4 -43.1 36.9 54.9 26.8 149 149 A S H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 3,-0.4 0.967 112.3 44.6 -64.8 -58.8 38.4 58.4 27.0 150 150 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 3,-0.4 0.962 110.6 55.3 -39.1 -66.8 42.0 57.2 26.9 151 151 A L H X S+ 0 0 6 -4,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.808 109.5 49.1 -38.8 -41.6 41.2 54.8 24.1 152 152 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.4 -1,-0.3 0.935 110.5 48.3 -67.9 -47.7 39.9 57.8 22.3 153 153 A L H X>S+ 0 0 5 -4,-2.4 4,-1.2 -3,-0.4 5,-0.7 0.832 109.3 54.7 -60.0 -37.6 43.0 59.8 22.9 154 154 A I H <>S+ 0 0 21 -4,-3.0 5,-2.9 3,-0.2 6,-0.4 0.946 112.0 43.0 -60.1 -48.6 45.2 56.9 21.8 155 155 A Q H <5S+ 0 0 4 -4,-1.6 5,-0.3 -5,-0.3 -2,-0.2 0.854 118.5 41.9 -74.5 -33.3 43.4 56.7 18.5 156 156 A M H <5S+ 0 0 1 -4,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.573 133.6 18.7 -84.0 -11.7 43.2 60.4 17.7 157 157 A I T X5S+ 0 0 8 -4,-1.2 4,-1.3 -3,-0.3 -3,-0.2 0.714 129.3 33.6-124.1 -65.1 46.8 61.1 18.9 158 158 A S H >> S+ 0 0 3 68,-2.3 4,-3.8 -2,-0.4 5,-0.3 0.869 98.1 57.7 -77.2 -35.0 49.0 58.8 7.9 165 165 A P H > S+ 0 0 14 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.845 111.0 45.3 -60.0 -34.9 45.6 57.2 6.9 166 166 A I H > S+ 0 0 0 -7,-0.2 4,-2.5 2,-0.2 5,-0.3 0.953 115.9 46.6 -69.0 -50.8 44.6 57.6 10.6 167 167 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 -7,-0.4 -3,-0.2 0.952 114.9 44.8 -51.4 -55.4 46.0 61.1 10.6 168 168 A W H X S+ 0 0 27 -4,-3.8 4,-1.6 1,-0.2 -1,-0.2 0.803 113.5 52.1 -62.2 -33.6 44.4 62.2 7.3 169 169 A R H X S+ 0 0 55 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.941 110.1 45.6 -74.6 -48.0 41.0 60.6 8.3 170 170 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.865 109.9 58.0 -61.1 -35.7 40.8 62.3 11.7 171 171 A R H X S+ 0 0 51 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.905 106.6 46.2 -62.7 -38.0 41.7 65.6 10.0 172 172 A Q H X S+ 0 0 65 -4,-1.6 4,-2.7 2,-0.2 6,-0.2 0.882 112.8 48.7 -75.1 -36.2 38.8 65.5 7.5 173 173 A Y H X>S+ 0 0 55 -4,-1.8 4,-1.4 2,-0.2 5,-0.9 0.905 111.0 51.0 -68.8 -39.9 36.2 64.6 10.1 174 174 A I H <5S+ 0 0 8 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.925 109.2 53.0 -58.4 -43.6 37.6 67.4 12.3 175 175 A N H <5S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.980 118.0 35.0 -50.2 -56.8 37.2 69.6 9.3 176 176 A S H <5S- 0 0 81 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.520 103.5-128.2 -82.9 -5.6 33.6 68.7 8.9 177 177 A G T <5 + 0 0 32 -4,-1.4 -49,-0.3 -3,-0.4 -3,-0.2 0.494 62.3 135.2 75.4 2.6 32.8 68.3 12.6 178 178 A A < - 0 0 40 -5,-0.9 -51,-0.3 -6,-0.2 -1,-0.2 -0.406 51.6-125.6 -87.6 161.6 31.3 64.8 12.1 179 179 A S + 0 0 51 -53,-0.1 2,-0.3 -2,-0.1 -53,-0.2 -0.580 29.8 177.9 -94.6 165.1 31.9 61.7 14.1 180 180 A F B -I 125 0E 14 -55,-1.6 -55,-2.9 -2,-0.2 -7,-0.0 -0.979 26.3-125.3-160.1 158.1 33.0 58.4 12.7 181 181 A L - 0 0 80 -2,-0.3 -60,-0.1 -57,-0.2 -59,-0.1 -0.817 38.6-106.4 -99.0 148.9 33.9 54.9 13.7 182 182 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.397 38.5-130.7 -68.7 155.6 37.2 53.4 12.7 183 183 A D > - 0 0 68 1,-0.1 4,-2.0 -2,-0.0 5,-0.2 -0.576 27.4 -93.0-105.5 168.5 37.1 50.9 9.8 184 184 A V H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.927 126.3 48.9 -45.4 -49.2 38.5 47.3 9.4 185 185 A Y H > S+ 0 0 20 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.948 109.5 49.0 -55.0 -56.8 41.6 48.8 7.7 186 186 A M H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.793 111.4 53.5 -54.8 -26.7 42.2 51.5 10.3 187 187 A L H X S+ 0 0 32 -4,-2.0 4,-1.4 -3,-0.5 -1,-0.2 0.940 107.7 47.5 -77.8 -43.5 41.9 48.8 13.0 188 188 A E H X S+ 0 0 48 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.826 106.8 57.4 -68.2 -30.8 44.4 46.5 11.4 189 189 A L H >X S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 4,-1.2 0.987 106.3 51.4 -58.3 -57.1 47.0 49.4 11.0 190 190 A E H 3< S+ 0 0 23 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 115.3 39.4 -44.8 -41.4 46.8 50.0 14.7 191 191 A T H 3< S+ 0 0 76 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.330 116.1 50.1-103.5 8.2 47.5 46.5 15.7 192 192 A S H S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 112.5 45.7 -70.8 -46.5 54.7 46.6 15.6 195 195 A Q H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.866 113.0 51.4 -60.3 -40.4 54.9 43.9 12.9 196 196 A Q H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 3,-0.4 0.968 109.3 50.5 -62.5 -50.7 55.2 46.7 10.3 197 197 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.875 112.7 47.9 -47.2 -42.6 58.0 48.2 12.2 198 198 A T H X S+ 0 0 38 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.767 108.9 50.5 -77.1 -34.9 59.7 44.8 12.4 199 199 A Q H X S+ 0 0 13 -4,-1.9 4,-0.8 -3,-0.4 -1,-0.2 0.946 111.4 49.1 -72.9 -44.9 59.5 43.9 8.8 200 200 A V H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.974 113.3 44.9 -52.3 -58.9 60.9 47.2 7.7 201 201 A Q H 3< S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 119.9 42.0 -63.8 -27.0 63.9 47.0 10.0 202 202 A Q H 3< S+ 0 0 58 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.395 88.0 120.1 -99.1 0.9 64.5 43.4 9.1 203 203 A S << - 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