==== 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 13-SEP-07 2R9K . COMPND 2 MOLECULE: BETA-GALACTOSIDE-SPECIFIC LECTIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR A.MEYER,W.RYPNIEWSKI,L.CELEWICZ,V.A.ERDMANN,W.VOELTER,C.BETZ . 511 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 65.8 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 . 118 23.1 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 . 2 0.4 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 . 38 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 15.9 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 2 1 0 0 1 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 . 12 5 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 87 0, 0.0 53,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 157.3 59.9 65.7 30.2 2 2 A E E -a 54 0A 89 51,-0.5 53,-2.8 25,-0.1 2,-0.5 -0.520 360.0-156.9 -63.6 134.1 58.6 67.3 27.1 3 3 A R E -a 55 0A 108 51,-0.2 2,-0.3 -2,-0.1 53,-0.2 -0.998 3.6-162.0-120.0 110.3 54.9 68.2 27.4 4 4 A L E -a 56 0A 17 51,-3.2 53,-2.4 -2,-0.5 2,-0.4 -0.754 12.3-149.9 -86.1 145.3 52.8 68.6 24.2 5 5 A R E +a 57 0A 161 -2,-0.3 2,-0.4 51,-0.2 53,-0.2 -0.978 19.0 174.5-126.3 128.9 49.5 70.4 24.5 6 6 A L E -a 58 0A 11 51,-2.8 53,-1.5 -2,-0.4 2,-0.5 -0.978 19.4-150.0-134.3 120.0 46.3 70.1 22.6 7 7 A R E -a 59 0A 147 -2,-0.4 2,-0.6 51,-0.2 53,-0.2 -0.763 19.8-156.7 -89.8 115.5 43.1 71.9 23.4 8 8 A T E +a 60 0A 1 51,-2.6 53,-0.5 -2,-0.5 2,-0.3 -0.949 34.3 111.1-100.4 116.6 40.2 69.7 22.4 9 9 A D S > S- 0 0 5 -2,-0.6 3,-3.2 51,-0.2 124,-0.1 -0.964 79.4 -68.7-164.0-173.2 36.8 71.2 21.6 10 10 A Q T 3 S+ 0 0 123 1,-0.3 123,-0.0 -2,-0.3 122,-0.0 0.522 128.9 51.3 -71.1 6.2 34.2 72.0 18.9 11 11 A Q T 3 S+ 0 0 141 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.300 77.0 119.9-118.9 3.5 36.6 74.6 17.5 12 12 A T < - 0 0 12 -3,-3.2 2,-0.3 168,-0.1 -4,-0.1 -0.521 56.5-143.9 -68.7 124.2 39.7 72.3 17.2 13 13 A T > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.702 19.6-115.6 -89.7 157.4 40.7 72.2 13.6 14 14 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.947 118.3 54.3 -53.4 -41.6 42.1 69.3 11.7 15 15 A A H > S+ 0 0 51 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.928 106.5 51.9 -63.3 -35.9 45.3 71.2 11.2 16 16 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 112.9 43.4 -67.3 -41.7 45.6 71.8 14.9 17 17 A Y H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.930 114.3 50.8 -71.3 -39.0 45.2 68.1 15.7 18 18 A F H X S+ 0 0 28 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.940 108.4 52.1 -64.6 -39.3 47.6 67.1 12.8 19 19 A S H X S+ 0 0 70 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.872 108.5 51.1 -67.0 -33.9 50.2 69.5 14.1 20 20 A F H X S+ 0 0 8 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.889 111.6 46.8 -69.9 -36.7 50.0 68.1 17.6 21 21 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.969 111.2 52.7 -74.8 -36.3 50.5 64.5 16.2 22 22 A T H X S+ 0 0 43 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.920 108.3 48.7 -62.4 -47.3 53.4 65.7 14.1 23 23 A V H X S+ 0 0 59 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.913 110.0 53.9 -66.7 -26.3 55.2 67.3 17.0 24 24 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.924 111.9 43.5 -69.7 -44.8 54.7 64.0 18.9 25 25 A R H X S+ 0 0 35 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.893 112.3 52.5 -58.4 -55.8 56.3 62.1 16.1 26 26 A D H >< S+ 0 0 101 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.989 112.4 47.2 -44.7 -48.3 59.1 64.6 15.7 27 27 A Y H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.707 114.5 43.4 -69.8 -32.4 59.7 64.2 19.4 28 28 A V H 3< S+ 0 0 0 -4,-1.6 13,-0.5 -5,-0.2 -1,-0.3 0.637 86.3 112.5 -95.1 -2.4 59.7 60.4 19.6 29 29 A S << - 0 0 43 -4,-1.8 11,-0.2 -3,-1.0 4,-0.1 -0.390 57.5-154.8 -69.3 121.0 61.8 60.1 16.4 30 30 A S - 0 0 37 9,-2.7 -1,-0.2 2,-0.3 10,-0.1 0.796 36.9-116.2 -72.0 -18.6 65.2 58.6 17.3 31 31 A G S S+ 0 0 59 1,-0.5 2,-0.3 8,-0.4 9,-0.1 0.048 86.3 106.3 98.3 -27.4 66.8 60.2 14.3 32 32 A S - 0 0 51 7,-0.3 7,-2.1 8,-0.1 -1,-0.5 -0.674 52.1-164.4 -74.0 157.1 67.6 56.7 13.0 33 33 A F B -F 38 0B 88 -2,-0.3 218,-2.0 5,-0.2 209,-0.0 -0.837 14.1-159.0-132.2 161.8 65.7 55.0 10.1 34 34 A S S S- 0 0 0 3,-2.2 -1,-0.1 -2,-0.3 5,-0.0 0.795 89.4 -8.6-108.0 -63.0 65.4 51.4 8.9 35 35 A N S S- 0 0 39 2,-0.3 217,-0.0 215,-0.1 202,-0.0 -0.494 126.6 -60.6-127.1 53.2 64.3 51.4 5.3 36 36 A N S S+ 0 0 122 1,-0.2 433,-0.2 432,-0.0 0, 0.0 0.372 114.3 115.6 77.8 11.3 63.6 55.1 5.1 37 37 A I S S- 0 0 0 1,-0.1 -3,-2.2 205,-0.0 -2,-0.3 -0.871 71.6-113.4-110.5 124.8 61.0 54.6 7.9 38 38 A P B -F 33 0B 16 0, 0.0 205,-1.3 0, 0.0 2,-0.4 -0.139 28.5-142.4 -57.5 155.6 61.7 56.4 11.2 39 39 A L B -g 243 0C 0 -7,-2.1 -9,-2.7 203,-0.2 -8,-0.4 -0.925 8.5-125.3-123.1 144.0 62.5 54.5 14.4 40 40 A L - 0 0 0 203,-2.7 33,-0.1 -2,-0.4 -11,-0.1 -0.275 51.1 -81.0 -72.7 160.6 61.6 54.9 18.0 41 41 A R - 0 0 72 -13,-0.5 204,-0.4 31,-0.5 -1,-0.1 -0.364 60.0 -85.1 -67.5 142.2 64.6 55.0 20.4 42 42 A Q > - 0 0 92 1,-0.1 3,-1.6 202,-0.1 2,-1.4 -0.385 36.3-117.0 -46.9 142.4 65.9 51.6 21.5 43 43 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 202,-0.2 -2,-0.0 0.046 103.8 80.4 -77.2 29.0 64.1 50.0 24.4 44 44 A T T 3 + 0 0 107 -2,-1.4 -1,-0.3 2,-0.1 -2,-0.1 0.290 52.8 124.5-110.3 -10.5 67.3 50.2 26.5 45 45 A V S < S- 0 0 13 -3,-1.6 28,-0.1 1,-0.1 -4,-0.0 -0.549 74.8-112.4 -50.8 106.4 66.8 53.8 27.4 46 46 A P > - 0 0 79 0, 0.0 3,-2.1 0, 0.0 6,-0.1 -0.264 16.0-116.8 -54.8 142.1 67.0 53.4 31.2 47 47 A V T 3 S+ 0 0 38 1,-0.3 5,-0.2 47,-0.1 -2,-0.1 0.818 114.5 58.5 -49.0 -21.2 63.7 54.1 33.1 48 48 A S T 3 S+ 0 0 79 4,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.562 75.2 123.5 -86.6 -17.3 65.5 57.0 34.9 49 49 A E X - 0 0 56 -3,-2.1 3,-1.5 1,-0.2 4,-0.2 -0.166 68.2-127.9 -56.7 134.2 66.4 58.9 31.7 50 50 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.524 108.6 39.9 -61.3 -14.1 65.1 62.5 31.7 51 51 A Q T 3 S+ 0 0 99 -50,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.018 77.5 111.2-128.1 35.3 63.5 62.0 28.3 52 52 A R S < S+ 0 0 24 -3,-1.5 20,-2.4 -5,-0.2 21,-0.5 0.755 81.6 41.4 -80.4 -19.5 62.2 58.4 28.7 53 53 A F E - B 0 71A 0 -4,-0.2 -51,-0.5 18,-0.2 2,-0.4 -0.936 65.6-152.8-130.8 152.6 58.6 59.8 28.7 54 54 A V E -aB 2 70A 0 16,-2.6 16,-3.3 -2,-0.3 2,-0.6 -0.890 19.3-137.2-128.7 133.2 56.7 62.4 26.8 55 55 A L E -aB 3 69A 13 -53,-2.8 -51,-3.2 -2,-0.4 2,-0.5 -0.925 11.7-163.8 -98.9 119.1 53.7 64.1 28.3 56 56 A V E -aB 4 68A 1 12,-3.4 12,-3.5 -2,-0.6 2,-0.5 -0.932 9.1-164.7-102.7 116.7 50.5 64.7 26.3 57 57 A E E -aB 5 67A 19 -53,-2.4 -51,-2.8 -2,-0.5 2,-0.4 -0.963 3.6-169.2-104.7 131.8 48.2 67.3 27.9 58 58 A L E -aB 6 66A 3 8,-2.2 8,-2.0 -2,-0.5 2,-0.4 -0.855 4.7-178.7-121.5 134.0 44.6 67.6 26.8 59 59 A T E -aB 7 65A 14 -53,-1.5 -51,-2.6 -2,-0.4 6,-0.2 -0.989 9.9-155.0-136.0 122.3 42.3 70.5 27.7 60 60 A N E > -a 8 0A 5 4,-1.8 3,-2.5 -2,-0.4 -51,-0.2 -0.428 41.0 -89.2 -86.2-176.5 38.6 70.9 26.8 61 61 A A T 3 S+ 0 0 68 -53,-0.5 -52,-0.1 1,-0.3 -1,-0.0 0.879 125.0 62.2 -60.9 -29.0 36.4 74.1 26.5 62 62 A G T 3 S- 0 0 64 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.460 117.7-110.2 -79.9 -5.7 35.6 73.7 30.2 63 63 A G < + 0 0 49 -3,-2.5 2,-0.2 1,-0.3 -1,-0.1 0.346 67.4 149.9 88.6 -2.1 39.2 74.1 31.3 64 64 A D - 0 0 32 -5,-0.0 -4,-1.8 18,-0.0 2,-0.4 -0.436 25.2-170.1 -62.5 135.1 39.5 70.4 32.3 65 65 A T E +B 59 0A 36 -6,-0.2 18,-0.5 -2,-0.2 2,-0.3 -0.958 14.3 170.4-138.6 123.1 43.0 69.2 31.8 66 66 A I E -B 58 0A 2 -8,-2.0 -8,-2.2 -2,-0.4 2,-0.4 -0.954 19.7-143.3-125.4 161.3 44.6 65.7 32.0 67 67 A T E -BC 57 81A 0 14,-1.8 14,-2.0 -2,-0.3 2,-0.4 -0.989 4.9-156.6-131.6 120.5 48.0 64.5 31.1 68 68 A A E -BC 56 80A 3 -12,-3.5 -12,-3.4 -2,-0.4 2,-0.6 -0.827 12.5-142.3 -95.4 130.8 49.0 61.2 29.5 69 69 A A E -BC 55 79A 0 10,-3.2 9,-3.2 -2,-0.4 10,-1.1 -0.921 18.0-163.2 -94.0 116.5 52.5 59.8 30.0 70 70 A I E -BC 54 77A 0 -16,-3.3 -16,-2.6 -2,-0.6 2,-0.4 -0.942 19.8-127.5-107.7 121.4 53.8 58.1 26.8 71 71 A D E >> -B 53 0A 3 5,-2.3 4,-2.5 -2,-0.5 3,-1.2 -0.589 16.3-148.7 -65.9 113.3 56.7 55.8 26.9 72 72 A V T 34 S+ 0 0 2 -20,-2.4 -31,-0.5 -2,-0.4 -1,-0.2 0.805 91.1 61.7 -59.8 -20.7 59.0 57.1 24.2 73 73 A T T 34 S+ 0 0 5 -21,-0.5 172,-0.5 1,-0.2 -1,-0.2 0.440 127.0 6.2 -84.1 -14.7 60.4 53.7 23.3 74 74 A N T <4 S- 0 0 24 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.415 91.7-116.3-149.7 2.5 57.0 52.2 22.2 75 75 A L < + 0 0 0 -4,-2.5 -3,-0.1 1,-0.2 89,-0.1 0.387 62.2 153.2 59.8 12.9 54.4 55.0 22.2 76 76 A Y - 0 0 99 -5,-0.2 -5,-2.3 -6,-0.1 2,-0.5 -0.210 49.6-126.7 -66.4 136.5 52.5 53.2 25.0 77 77 A V E +C 70 0A 8 -7,-0.2 -7,-0.2 1,-0.1 3,-0.1 -0.871 36.3 171.0 -79.3 121.0 50.3 55.3 27.3 78 78 A V E - 0 0 6 -9,-3.2 11,-2.8 -2,-0.5 2,-0.3 0.623 56.0 -2.7-107.5 -27.9 51.6 54.2 30.7 79 79 A A E -CD 69 88A 0 -10,-1.1 -10,-3.2 9,-0.2 -1,-0.4 -0.957 53.2-152.1-162.0 155.5 50.0 56.7 33.0 80 80 A Y E -CD 68 87A 4 7,-1.8 7,-2.6 -2,-0.3 2,-0.4 -0.966 10.9-145.2-133.0 160.2 47.7 59.7 33.2 81 81 A E E -CD 67 86A 31 -14,-2.0 -14,-1.8 -2,-0.3 2,-0.4 -0.993 13.1-179.9-132.8 125.2 47.4 62.6 35.7 82 82 A A E > - D 0 85A 1 3,-2.7 3,-2.4 -2,-0.4 -16,-0.1 -0.975 63.8 -52.0-129.2 113.3 44.1 64.4 36.8 83 83 A G T 3 S- 0 0 29 -18,-0.5 61,-0.0 -2,-0.4 -1,-0.0 -0.284 124.4 -17.9 58.4-122.7 44.4 67.2 39.4 84 84 A N T 3 S+ 0 0 107 -3,-0.1 21,-2.0 20,-0.1 2,-0.4 0.137 123.3 92.3 -96.4 17.2 46.3 65.8 42.3 85 85 A Q E < -De 82 105A 44 -3,-2.4 -3,-2.7 19,-0.2 2,-0.4 -0.899 50.5-173.3-115.3 140.9 45.7 62.1 41.2 86 86 A S E -De 81 106A 0 19,-2.3 21,-1.9 -2,-0.4 2,-0.4 -0.998 4.8-163.0-134.6 140.3 47.8 59.9 39.0 87 87 A Y E -De 80 107A 24 -7,-2.6 -7,-1.8 -2,-0.4 2,-0.4 -0.991 4.2-156.8-127.5 135.1 47.0 56.5 37.7 88 88 A F E -De 79 108A 2 19,-1.9 21,-2.7 -2,-0.4 -9,-0.2 -0.859 19.5-118.9-117.6 137.6 49.4 53.9 36.3 89 89 A L > - 0 0 4 -11,-2.8 3,-1.8 -2,-0.4 23,-0.2 -0.420 32.7-106.7 -70.6 161.6 48.7 51.0 33.9 90 90 A S T 3 S+ 0 0 73 21,-2.5 22,-0.2 1,-0.3 -1,-0.1 0.733 116.4 38.6 -68.7 -30.3 49.3 47.4 35.0 91 91 A D T 3 S+ 0 0 82 20,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.219 79.5 149.1-111.5 32.2 52.4 46.8 32.9 92 92 A A < - 0 0 24 -3,-1.8 3,-0.1 1,-0.1 4,-0.1 -0.478 63.5 -86.0 -60.5 136.3 53.9 50.2 33.3 93 93 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.339 55.4 -90.0 -52.6 133.2 57.8 49.9 33.2 94 94 A A T 3 S+ 0 0 91 1,-0.3 -47,-0.1 2,-0.1 -3,-0.0 -0.173 114.8 21.1 -49.4 119.4 59.4 49.1 36.6 95 95 A G T 3 S+ 0 0 35 -3,-0.1 4,-0.4 -47,-0.0 -1,-0.3 0.590 82.9 123.2 95.0 13.6 60.2 52.3 38.4 96 96 A A X> + 0 0 2 -3,-1.6 3,-1.7 1,-0.2 4,-1.6 0.944 67.4 60.9 -70.5 -34.1 57.8 54.5 36.5 97 97 A E T 34 S+ 0 0 85 1,-0.3 5,-0.4 -4,-0.2 -1,-0.2 0.741 99.3 54.8 -70.0 -20.9 56.0 55.7 39.6 98 98 A T T 34 S+ 0 0 104 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.681 113.9 40.6 -89.2 -5.5 59.1 57.3 41.2 99 99 A Q T <4 S+ 0 0 68 -3,-1.7 2,-0.4 -4,-0.4 -2,-0.2 0.734 103.9 55.2-112.5 -42.2 59.7 59.5 38.1 100 100 A D S < S- 0 0 1 -4,-1.6 2,-1.6 2,-0.1 -1,-0.1 -0.893 111.6 -1.6-115.4 135.7 56.5 61.0 36.7 101 101 A F S S+ 0 0 41 -2,-0.4 2,-2.3 1,-0.1 -3,-0.1 -0.581 75.9 171.4 91.4 -58.6 53.8 63.0 38.3 102 102 A S + 0 0 93 -2,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.278 59.2 61.3 77.3 -70.2 55.5 62.9 41.6 103 103 A G S S+ 0 0 73 -2,-2.3 2,-0.3 2,-0.1 -1,-0.2 -0.366 96.0 83.3 -87.7 43.4 53.5 65.3 43.9 104 104 A T S S- 0 0 31 -2,-0.4 -19,-0.2 -18,-0.0 2,-0.2 -0.977 90.1 -90.7-142.5 158.2 50.3 63.2 43.5 105 105 A T E -e 85 0A 85 -21,-2.0 -19,-2.3 -2,-0.3 2,-0.6 -0.499 42.7-145.9 -73.0 133.1 48.6 60.2 44.9 106 106 A S E +e 86 0A 54 -2,-0.2 2,-0.3 -21,-0.2 -19,-0.2 -0.851 26.7 164.2-115.6 91.7 49.7 57.1 42.9 107 107 A S E -e 87 0A 49 -21,-1.9 -19,-1.9 -2,-0.6 2,-0.3 -0.683 24.8-139.3-102.9 150.0 47.2 54.3 42.3 108 108 A S E -e 88 0A 85 -2,-0.3 -19,-0.2 -21,-0.2 -29,-0.0 -0.888 14.3-121.1-104.2 166.1 47.5 51.6 39.7 109 109 A Q - 0 0 12 -21,-2.7 40,-0.0 -2,-0.3 -22,-0.0 -0.482 14.1-125.8-111.5 156.8 44.9 50.0 37.5 110 110 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.696 91.4 64.9 -76.4 -4.8 43.7 46.4 37.0 111 111 A F - 0 0 0 -21,-0.0 -21,-2.5 7,-0.0 -2,-0.2 -0.777 66.5-147.8-123.4 141.1 44.5 46.7 33.3 112 112 A N - 0 0 36 -2,-0.3 -34,-0.1 -23,-0.2 -20,-0.0 -0.397 34.7-110.1 -86.8 175.7 47.5 47.0 31.1 113 113 A G S S+ 0 0 22 -2,-0.2 5,-0.1 -36,-0.1 -36,-0.0 0.530 76.1 122.4 -89.3 2.2 47.3 48.9 27.8 114 114 A S S > S- 0 0 46 4,-0.1 4,-2.1 3,-0.1 5,-0.3 -0.148 73.4 -98.5 -66.2 165.2 47.8 45.7 25.7 115 115 A Y H >> S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 3,-1.0 0.861 110.5 27.7 -55.8 -81.4 45.2 44.7 23.1 116 116 A P H 3> S+ 0 0 83 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.858 120.6 55.5 -56.3 -33.8 42.9 42.0 24.4 117 117 A D H 3> S+ 0 0 23 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.720 102.7 51.0 -66.8 -47.1 43.3 43.2 28.1 118 118 A L H XX S+ 0 0 2 -4,-2.1 4,-2.4 -3,-1.0 3,-1.3 0.977 110.9 51.6 -57.8 -36.9 42.3 46.8 27.7 119 119 A E H 3X S+ 0 0 20 -4,-1.4 4,-3.1 1,-0.3 -2,-0.2 0.777 94.3 71.0 -70.6 -29.2 39.1 45.6 25.9 120 120 A R H 3< S+ 0 0 191 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.893 117.8 22.5 -57.5 -29.2 38.3 43.2 28.8 121 121 A Y H << S+ 0 0 68 -3,-1.3 -2,-0.3 -4,-0.9 -1,-0.2 0.728 131.0 43.5-103.8 -32.2 37.5 46.4 30.8 122 122 A A H < S- 0 0 2 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.809 100.2-126.4 -90.6 -20.2 36.8 48.9 28.0 123 123 A G < - 0 0 18 -4,-3.1 2,-0.3 -5,-0.2 -1,-0.2 -0.407 54.0 -29.9 90.0-175.7 34.6 46.8 25.6 124 124 A H > - 0 0 111 -2,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.485 45.0-144.8 -81.5 134.6 35.3 46.3 21.9 125 125 A R G > S+ 0 0 23 1,-0.3 3,-1.3 -2,-0.3 -1,-0.1 0.806 100.8 65.1 -73.8 -14.6 37.0 49.1 20.0 126 126 A D G 3 S+ 0 0 78 1,-0.3 -1,-0.3 61,-0.1 -2,-0.1 0.286 107.2 44.3 -79.9 -0.8 34.9 48.3 16.9 127 127 A Q G < S+ 0 0 141 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.227 95.3 89.4-121.9 6.5 32.0 49.4 19.1 128 128 A I S < S- 0 0 14 -3,-1.3 58,-0.1 -4,-0.1 -1,-0.1 -0.881 72.1-136.7-112.6 110.6 33.6 52.6 20.6 129 129 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.112 18.1-160.8 -64.5 142.3 33.1 55.8 18.6 130 130 A L B +H 186 0D 0 56,-2.8 56,-2.0 4,-0.0 2,-0.2 -0.777 35.4 93.3-114.4 173.5 36.1 58.2 18.2 131 131 A G S > S- 0 0 0 -2,-0.3 4,-1.8 54,-0.2 54,-0.1 -0.792 87.1 -51.2 136.7-170.3 36.2 61.9 17.3 132 132 A I H > S+ 0 0 5 52,-0.4 4,-3.0 -2,-0.2 5,-0.2 0.939 130.3 53.8 -71.1 -38.2 36.3 65.3 19.0 133 133 A D H > S+ 0 0 54 50,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.894 110.7 47.1 -61.0 -37.0 33.3 64.6 21.2 134 134 A Q H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 110.4 52.3 -82.1 -22.1 34.9 61.4 22.5 135 135 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.972 113.3 43.9 -78.6 -39.9 38.2 63.2 23.0 136 136 A I H X S+ 0 0 28 -4,-3.0 4,-2.1 1,-0.2 3,-0.4 0.968 112.9 51.9 -67.8 -48.5 36.4 65.9 25.1 137 137 A Q H X S+ 0 0 119 -4,-3.3 4,-3.3 1,-0.2 -1,-0.2 0.850 107.9 52.9 -55.5 -38.7 34.4 63.2 27.0 138 138 A S H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.932 106.7 51.7 -69.5 -35.3 37.6 61.4 27.8 139 139 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -3,-0.4 3,-0.4 0.976 115.0 43.0 -62.3 -48.1 39.1 64.5 29.2 140 140 A T H X S+ 0 0 58 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.901 113.4 50.6 -59.8 -49.6 36.1 65.0 31.4 141 141 A A H < S+ 0 0 34 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.0 41.5 -68.3 -26.4 35.7 61.4 32.5 142 142 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.842 108.1 62.4 -89.5 -25.4 39.3 61.1 33.5 143 143 A R H < S+ 0 0 68 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.877 96.5 57.8 -66.9 -46.8 39.5 64.5 35.2 144 144 A F S < S- 0 0 102 -4,-1.6 3,-0.3 -5,-0.2 -61,-0.0 -0.778 85.8-124.1 -99.2 123.0 36.9 64.0 37.9 145 145 A P S S+ 0 0 96 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.363 84.3 66.4 -63.0 139.1 37.4 61.1 40.5 146 146 A G + 0 0 84 1,-0.2 -4,-0.1 -4,-0.1 -5,-0.0 0.522 62.7 134.0 121.6 13.7 34.5 58.7 40.6 147 147 A G - 0 0 45 -3,-0.3 -1,-0.2 -6,-0.2 2,-0.1 -0.289 59.6-106.4 -78.0 162.8 34.3 56.9 37.3 148 148 A Q > - 0 0 123 1,-0.1 4,-1.2 -2,-0.0 -1,-0.1 -0.335 30.2-116.7 -69.9 163.2 33.9 53.1 36.8 149 149 A T H > S+ 0 0 45 2,-0.2 4,-3.4 3,-0.1 5,-0.3 0.865 119.0 65.0 -72.6 -26.1 37.1 51.4 35.7 150 150 A K H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 104.4 44.9 -53.7 -43.3 35.1 50.6 32.5 151 151 A T H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 112.2 50.4 -70.3 -41.5 35.1 54.4 31.9 152 152 A Q H X S+ 0 0 30 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.976 114.3 45.1 -60.5 -45.7 38.8 54.8 32.7 153 153 A A H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.860 112.9 49.9 -66.8 -37.6 39.7 52.0 30.3 154 154 A R H X S+ 0 0 80 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.927 110.8 50.0 -73.2 -32.3 37.4 53.3 27.6 155 155 A S H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 110.4 49.6 -75.6 -31.6 38.9 56.8 27.9 156 156 A I H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 -2,-0.2 0.968 108.0 54.4 -73.6 -33.3 42.4 55.3 27.7 157 157 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.893 107.3 50.5 -66.5 -39.6 41.5 53.4 24.6 158 158 A I H X S+ 0 0 8 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.980 112.9 46.2 -65.2 -41.5 40.2 56.6 22.9 159 159 A L H X>S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.6 0.927 110.9 52.2 -64.4 -48.9 43.5 58.3 23.7 160 160 A I H <>S+ 0 0 19 -4,-3.4 5,-3.1 1,-0.2 6,-0.3 0.934 116.9 39.0 -55.1 -45.1 45.6 55.4 22.6 161 161 A Q H <>S+ 0 0 0 -4,-2.5 5,-0.7 -5,-0.2 -2,-0.2 0.924 121.0 41.6 -75.9 -38.7 43.8 55.2 19.2 162 162 A M H <5S+ 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.718 132.6 20.8 -85.3 -17.7 43.5 59.0 18.6 163 163 A I T X5S+ 0 0 4 -4,-2.7 4,-1.5 -5,-0.3 -3,-0.2 0.787 131.7 29.3-112.0 -72.6 47.0 59.9 19.8 164 164 A S H >> S+ 0 0 17 69,-2.5 4,-3.5 -2,-0.4 5,-0.3 0.799 98.7 58.8 -65.8 -29.5 49.1 57.9 8.6 171 171 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.991 110.7 42.8 -71.2 -30.1 45.8 56.3 7.7 172 172 A I H > S+ 0 0 3 -7,-0.2 4,-2.7 2,-0.2 5,-0.2 0.942 116.0 49.1 -75.2 -35.2 44.7 56.6 11.3 173 173 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -7,-0.4 -1,-0.2 0.951 113.7 45.0 -69.0 -43.6 46.1 60.2 11.4 174 174 A W H X S+ 0 0 32 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.933 112.9 52.0 -68.5 -34.2 44.4 61.2 8.2 175 175 A R H X S+ 0 0 43 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.915 111.1 46.1 -67.5 -44.5 41.1 59.5 9.3 176 176 A A H X S+ 0 0 2 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.918 111.4 52.0 -68.1 -37.9 41.1 61.4 12.7 177 177 A R H X S+ 0 0 73 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.969 107.9 52.6 -64.6 -43.3 41.9 64.7 11.1 178 178 A Q H X S+ 0 0 79 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.891 116.4 37.9 -55.0 -49.4 39.0 64.3 8.6 179 179 A Y H >X>S+ 0 0 64 -4,-2.0 4,-2.0 2,-0.2 3,-0.9 0.940 111.6 56.0 -77.2 -41.5 36.5 63.6 11.3 180 180 A I H ><5S+ 0 0 6 -4,-3.1 3,-0.6 1,-0.3 -1,-0.2 0.920 111.0 49.1 -56.2 -34.8 37.8 66.1 13.9 181 181 A N H 3<5S+ 0 0 104 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.763 115.0 40.4 -71.8 -42.5 37.4 68.6 11.2 182 182 A S H <<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.524 104.6-126.2 -84.4 -10.9 33.8 67.7 10.2 183 183 A G T <<5 + 0 0 38 -4,-2.0 -50,-0.3 -3,-0.6 -3,-0.2 0.327 64.5 135.7 79.9 0.5 32.8 67.2 13.9 184 184 A A < - 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