==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 17-MAY-02 1LSH . COMPND 2 MOLECULE: LIPOVITELLIN (LV-1N, LV-1C); . SOURCE 2 ORGANISM_SCIENTIFIC: ICHTHYOMYZON UNICUSPIS; . AUTHOR J.R.THOMPSON,L.J.BANASZAK . 1129 5 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 836 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 393 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 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 . 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 . 73 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 5 1 2 3 0 1 0 5 4 4 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 3 3 2 7 4 3 3 3 2 2 0 2 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 17 A X 0 0 19 0, 0.0 2,-0.7 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 -13.6 64.4 -2.8 71.9 2 18 A F - 0 0 18 87,-0.2 39,-0.3 37,-0.1 43,-0.1 -0.785 360.0-125.6 -75.6 118.3 60.8 -2.3 72.8 3 19 A Q > - 0 0 90 -2,-0.7 3,-2.3 37,-0.1 37,-0.6 -0.581 23.6-109.5 -63.1 128.8 60.1 -5.2 75.1 4 20 A P B 3 S+a 40 0A 65 0, 0.0 37,-0.2 0, 0.0 3,-0.1 -0.241 108.9 27.3 -60.0 131.7 57.0 -7.3 74.0 5 21 A G T 3 S+ 0 0 36 35,-1.6 243,-3.2 1,-0.3 2,-0.4 0.439 101.5 112.8 94.9 -5.9 54.2 -6.6 76.5 6 22 A K E < -B 247 0A 61 -3,-2.3 34,-3.2 241,-0.2 2,-0.5 -0.881 50.9-158.6-109.4 139.6 55.6 -3.2 77.3 7 23 A V E -BC 246 39A 3 239,-3.0 239,-2.9 -2,-0.4 2,-0.5 -0.978 7.7-162.0-109.1 121.9 54.0 0.1 76.6 8 24 A Y E -BC 245 38A 6 30,-3.5 30,-2.8 -2,-0.5 2,-0.4 -0.972 7.7-155.1-106.2 126.2 56.4 3.1 76.5 9 25 A R E +BC 244 37A 64 235,-2.8 234,-3.2 -2,-0.5 235,-1.3 -0.846 17.0 175.3-107.1 131.8 54.6 6.5 76.9 10 26 A Y E -BC 242 36A 2 26,-2.7 26,-2.6 -2,-0.4 2,-0.4 -0.913 28.1-138.6-131.9 149.2 56.3 9.6 75.4 11 27 A S E -BC 241 35A 17 230,-2.5 230,-2.0 -2,-0.3 2,-0.4 -0.905 27.4-166.3 -99.3 147.7 55.4 13.3 75.1 12 28 A Y E +BC 240 34A 3 22,-3.1 22,-2.5 -2,-0.4 2,-0.4 -0.998 13.2 175.3-138.5 126.8 56.5 14.6 71.6 13 29 A D E +BC 239 33A 63 226,-2.5 226,-2.8 -2,-0.4 2,-0.3 -0.985 9.9 167.3-130.8 140.3 56.7 18.3 70.5 14 30 A A E +BC 238 32A 7 18,-2.3 18,-2.2 -2,-0.4 2,-0.3 -0.993 6.2 174.3-148.1 148.5 58.1 19.4 67.2 15 31 A F E -BC 237 31A 25 222,-3.2 222,-2.0 -2,-0.3 2,-0.4 -0.995 16.5-158.3-151.0 165.3 58.2 22.5 65.1 16 32 A S E -BC 236 30A 0 14,-2.3 14,-1.8 -2,-0.3 2,-0.4 -0.992 17.5-175.5-143.5 119.1 59.6 23.9 61.9 17 33 A I E -BC 235 29A 3 218,-2.8 218,-2.3 -2,-0.4 2,-0.3 -0.993 7.1-156.8-121.5 138.8 60.0 27.6 61.4 18 34 A S E +BC 234 28A 0 10,-2.8 10,-1.9 -2,-0.4 2,-0.3 -0.871 37.3 78.9-110.9 152.9 61.1 29.7 58.4 19 35 A G E S-B 233 0A 0 214,-2.0 214,-3.3 -2,-0.3 8,-0.1 -0.978 77.8 -33.7 151.4-171.6 62.6 33.1 58.0 20 36 A L - 0 0 0 6,-0.4 2,-2.2 -2,-0.3 5,-0.2 -0.714 58.5-120.6 -73.0 141.9 65.5 35.3 58.3 21 37 A P S S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 210,-0.1 -0.437 74.5 111.7 -81.5 65.6 67.8 34.3 61.2 22 38 A E S > S- 0 0 26 -2,-2.2 3,-1.3 3,-0.1 40,-0.4 -0.984 71.6-115.6-139.6 138.4 67.6 37.5 63.1 23 39 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.346 99.4 29.0 -70.4 141.7 65.9 38.2 66.5 24 40 A G T 3 S+ 0 0 13 38,-0.6 2,-0.2 1,-0.3 854,-0.0 0.249 90.3 103.3 101.1 -31.7 63.0 40.5 66.0 25 41 A V S < S- 0 0 4 -3,-1.3 37,-1.0 37,-0.2 -1,-0.3 -0.590 78.3-100.8 -86.9 158.7 61.8 39.9 62.5 26 42 A N E - D 0 61A 12 846,-1.9 -6,-0.4 845,-0.4 2,-0.3 -0.559 40.2-177.8 -78.8 146.3 58.7 37.8 62.0 27 43 A R E - D 0 60A 14 33,-2.5 33,-2.2 -2,-0.2 2,-0.4 -0.901 9.7-151.2-134.1 161.1 58.9 34.2 61.1 28 44 A A E +CD 18 59A 0 -10,-1.9 -10,-2.8 -2,-0.3 2,-0.3 -0.999 25.9 131.9-135.6 150.8 56.3 31.7 60.3 29 45 A G E -CD 17 58A 0 29,-2.7 29,-3.4 -2,-0.4 2,-0.3 -0.892 41.9 -91.7-172.4-168.1 55.9 28.0 60.7 30 46 A L E +CD 16 57A 13 -14,-1.8 -14,-2.3 27,-0.3 2,-0.3 -0.956 33.9 173.3-119.4 157.7 54.0 24.8 61.8 31 47 A S E -CD 15 56A 17 25,-2.8 25,-3.4 -2,-0.3 2,-0.3 -0.973 11.3-163.8-161.2 150.8 54.1 22.8 65.1 32 48 A G E -CD 14 55A 9 -18,-2.2 -18,-2.3 -2,-0.3 2,-0.4 -0.996 8.4-158.9-141.2 161.1 52.6 20.0 66.9 33 49 A E E +CD 13 54A 76 21,-2.5 21,-2.7 -2,-0.3 2,-0.3 -0.985 26.5 165.0-136.5 126.3 52.4 18.6 70.4 34 50 A M E -CD 12 53A 12 -22,-2.5 -22,-3.1 -2,-0.4 2,-0.4 -0.959 34.5-137.2-134.2 161.4 51.4 14.9 70.9 35 51 A K E -CD 11 52A 72 17,-1.7 16,-2.3 -2,-0.3 17,-1.4 -0.972 33.1-173.2-117.3 136.6 51.4 12.2 73.4 36 52 A I E -CD 10 50A 2 -26,-2.6 -26,-2.7 -2,-0.4 2,-0.4 -0.939 15.7-157.7-133.7 154.9 52.4 8.9 71.9 37 53 A E E -CD 9 49A 20 12,-2.6 12,-2.6 -2,-0.3 2,-0.5 -0.997 4.1-161.6-133.0 138.7 52.5 5.3 73.1 38 54 A I E -CD 8 48A 0 -30,-2.8 -30,-3.5 -2,-0.4 2,-0.5 -0.983 5.7-160.7-124.4 126.9 54.7 2.6 71.7 39 55 A H E -CD 7 47A 43 8,-2.7 8,-1.9 -2,-0.5 -32,-0.2 -0.946 15.7-134.4-108.0 124.5 53.8 -1.0 72.4 40 56 A G E -aD 4 46A 2 -34,-3.2 -35,-1.6 -37,-0.6 2,-0.3 -0.534 27.1-177.6 -82.6 137.9 56.5 -3.6 72.0 41 57 A H - 0 0 29 4,-2.0 3,-0.4 -39,-0.3 4,-0.4 -0.787 29.3 -90.8-121.0-179.3 55.6 -6.7 70.1 42 58 A T S S+ 0 0 75 -2,-0.3 3,-0.2 1,-0.2 -1,-0.0 -0.479 100.2 46.2 -86.6 170.9 57.2 -9.9 69.2 43 59 A H S S- 0 0 166 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.782 127.9 -71.3 66.1 28.4 59.1 -10.4 66.0 44 60 A N S S+ 0 0 98 -3,-0.4 45,-1.8 1,-0.2 2,-0.3 0.922 102.6 119.2 56.9 48.3 60.9 -7.1 66.3 45 61 A Q E - E 0 88A 34 -4,-0.4 -4,-2.0 43,-0.3 2,-0.3 -0.952 37.2-176.8-132.9 162.3 57.9 -4.9 65.6 46 62 A A E -DE 40 87A 2 41,-2.3 41,-3.3 -2,-0.3 2,-0.4 -0.920 19.7-129.6-152.2 164.5 56.2 -2.4 67.6 47 63 A T E -DE 39 86A 9 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.4 -0.988 13.1-155.3-124.2 134.7 53.1 -0.2 67.2 48 64 A L E -DE 38 85A 1 37,-2.7 37,-2.6 -2,-0.4 2,-0.4 -0.874 11.1-175.2-111.1 129.8 53.0 3.5 67.7 49 65 A K E -D 37 0A 71 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.6 -0.985 18.2-145.4-125.4 131.1 49.8 5.1 68.6 50 66 A I E -D 36 0A 1 31,-0.5 -14,-0.3 -2,-0.4 3,-0.1 -0.849 18.2-178.7 -92.7 125.7 49.4 8.8 68.9 51 67 A T E + 0 0 59 -16,-2.3 2,-0.3 -2,-0.6 -15,-0.2 0.587 65.1 17.4-108.6 -16.6 46.8 9.4 71.7 52 68 A Q E -D 35 0A 106 -17,-1.4 -17,-1.7 2,-0.0 2,-0.3 -0.961 63.5-176.8-158.8 131.5 46.6 13.2 71.7 53 69 A V E -D 34 0A 12 -2,-0.3 2,-0.5 -19,-0.2 -19,-0.2 -0.986 9.3-175.5-138.5 131.0 47.5 15.9 69.1 54 70 A N E -D 33 0A 70 -21,-2.7 -21,-2.5 -2,-0.3 2,-0.4 -0.995 17.3-154.7-121.9 113.6 47.4 19.6 69.1 55 71 A L E +D 32 0A 30 -2,-0.5 15,-2.8 15,-0.3 2,-0.3 -0.812 17.8 177.5 -91.3 142.1 48.4 21.3 65.8 56 72 A K E -DF 31 69A 37 -25,-3.4 -25,-2.8 -2,-0.4 2,-0.3 -0.853 22.0-145.7-141.1 160.4 49.8 24.8 65.8 57 73 A Y E -DF 30 68A 35 11,-2.4 11,-2.1 -2,-0.3 2,-0.4 -0.886 17.5-137.9-120.8 155.4 51.2 27.4 63.5 58 74 A F E +DF 29 67A 0 -29,-3.4 -29,-2.7 -2,-0.3 2,-0.3 -0.973 30.0 160.4-115.2 132.3 53.9 29.9 64.4 59 75 A L E +D 28 0A 16 7,-2.1 -31,-0.2 -2,-0.4 -2,-0.0 -0.808 41.8 52.0-152.7 99.1 53.5 33.5 63.3 60 76 A G E S-D 27 0A 3 -33,-2.2 -33,-2.5 -2,-0.3 2,-0.1 -0.960 89.0 -30.5 161.6-172.5 55.5 36.2 65.1 61 77 A P E S-D 26 0A 41 0, 0.0 5,-0.3 0, 0.0 -35,-0.2 -0.382 70.1 -99.1 -76.2 149.0 59.1 37.2 66.2 62 78 A W S S+ 0 0 30 -37,-1.0 -38,-0.6 -40,-0.4 -37,-0.2 -0.967 105.2 34.7-119.7 127.3 61.6 34.5 67.1 63 79 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 0.506 98.7 103.3 -73.1 147.9 62.2 33.7 70.0 64 80 A S S S- 0 0 42 -2,-0.1 2,-0.3 -4,-0.1 -4,-0.0 -0.923 77.9-106.6-178.4 167.1 58.7 34.2 71.2 65 81 A D + 0 0 136 -2,-0.3 2,-0.9 1,-0.1 -3,-0.1 -0.434 61.3 141.3-104.1 56.3 55.7 32.2 72.1 66 82 A S + 0 0 13 -5,-0.3 -7,-2.1 -2,-0.3 2,-0.4 -0.361 25.1 133.2 -93.4 53.7 53.7 33.0 69.0 67 83 A F E +F 58 0A 41 -2,-0.9 -9,-0.2 -9,-0.2 -37,-0.0 -0.865 30.7 178.4-104.1 136.1 52.3 29.6 68.6 68 84 A Y E -F 57 0A 100 -11,-2.1 -11,-2.4 -2,-0.4 -2,-0.0 -0.983 33.7 -88.3-140.0 151.7 48.5 29.3 68.0 69 85 A P E -F 56 0A 79 0, 0.0 2,-0.8 0, 0.0 -13,-0.3 -0.207 28.3-134.5 -58.8 135.3 46.0 26.6 67.3 70 86 A L - 0 0 20 -15,-2.8 -15,-0.3 1,-0.2 4,-0.1 -0.865 36.7-178.0 -89.3 119.0 45.5 25.5 63.8 71 87 A T > + 0 0 97 -2,-0.8 3,-0.6 1,-0.1 -1,-0.2 0.975 36.7 40.3 -87.9 -86.0 41.7 25.4 63.9 72 88 A G T 3 S+ 0 0 30 1,-0.2 793,-0.3 2,-0.1 -1,-0.1 -0.414 101.9 22.7 -84.4 148.9 39.5 24.3 61.0 73 89 A G T 3 S+ 0 0 41 -2,-0.1 4,-0.2 791,-0.1 -1,-0.2 0.398 92.0 96.3 89.5 3.6 39.8 21.6 58.4 74 90 A Y <> + 0 0 9 -3,-0.6 4,-3.2 1,-0.1 5,-0.2 0.516 48.9 94.9-105.3 -4.4 42.1 19.3 60.4 75 91 A D H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 88.9 46.2 -57.2 -44.2 39.6 16.8 62.0 76 92 A H H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 114.6 48.5 -66.8 -37.7 40.0 14.1 59.3 77 93 A F H > S+ 0 0 29 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.933 110.2 50.8 -69.2 -43.7 43.8 14.5 59.4 78 94 A I H X S+ 0 0 39 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.921 107.5 53.3 -60.0 -35.9 43.9 14.3 63.2 79 95 A Q H < S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.855 109.0 50.5 -68.1 -34.3 41.8 11.1 63.1 80 96 A Q H >< S+ 0 0 36 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.913 106.1 54.3 -68.3 -37.4 44.4 9.6 60.6 81 97 A L H 3< S+ 0 0 4 -4,-2.4 -31,-0.5 1,-0.3 -1,-0.2 0.777 103.9 59.4 -67.3 -22.5 47.3 10.5 62.8 82 98 A E T 3< S+ 0 0 71 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.494 78.3 104.0 -89.1 1.3 45.5 8.6 65.6 83 99 A V S < S- 0 0 43 -3,-1.5 -33,-0.2 -4,-0.2 -35,-0.1 -0.579 83.8-101.9 -80.5 137.9 45.4 5.2 63.8 84 100 A P - 0 0 37 0, 0.0 172,-0.6 0, 0.0 2,-0.5 -0.223 35.3-154.2 -63.0 141.4 48.0 2.7 65.2 85 101 A V E -E 48 0A 3 -37,-2.6 -37,-2.7 170,-0.1 2,-0.4 -0.981 2.7-147.0-121.8 132.8 51.1 2.3 63.0 86 102 A R E +EG 47 98A 10 12,-2.2 12,-2.9 -2,-0.5 2,-0.3 -0.748 21.0 178.7 -97.3 142.8 53.1 -0.8 63.0 87 103 A F E -EG 46 97A 0 -41,-3.3 -41,-2.3 -2,-0.4 2,-0.3 -0.983 28.7-124.2-141.5 149.5 56.8 -0.6 62.5 88 104 A D E +E 45 0A 35 8,-2.5 7,-2.5 -2,-0.3 2,-0.3 -0.614 35.1 171.4 -86.0 136.3 59.8 -3.0 62.4 89 105 A Y E + G 0 94A 7 -45,-1.8 2,-0.4 -2,-0.3 5,-0.2 -0.913 3.9 164.1-149.9 121.8 62.5 -2.1 64.8 90 106 A S E > S- G 0 93A 58 3,-1.9 3,-2.4 -2,-0.3 -2,-0.0 -0.984 71.2 -12.0-147.9 128.2 65.5 -4.2 65.7 91 107 A A T 3 S- 0 0 88 -2,-0.4 31,-0.2 1,-0.3 -1,-0.1 0.889 129.5 -54.4 49.1 42.7 68.7 -3.3 67.4 92 108 A G T 3 S+ 0 0 4 1,-0.2 28,-2.4 29,-0.1 2,-0.5 0.572 110.4 121.1 77.2 -0.2 67.7 0.3 67.0 93 109 A R E < -G 90 0A 132 -3,-2.4 -3,-1.9 26,-0.2 2,-0.3 -0.924 55.4-141.0-103.1 125.6 67.1 0.2 63.1 94 110 A I E +G 89 0A 3 -2,-0.5 -5,-0.2 -5,-0.2 169,-0.2 -0.614 25.7 174.9 -73.5 137.2 63.7 1.1 61.8 95 111 A G E - 0 0 24 -7,-2.5 168,-0.2 1,-0.4 -1,-0.1 0.112 50.6 -7.2-112.8-110.5 62.7 -1.2 58.9 96 112 A D E - 0 0 59 166,-0.1 -8,-2.5 -2,-0.1 -1,-0.4 -0.377 57.1-148.1 -89.7 155.5 59.2 -1.0 57.2 97 113 A I E -G 87 0A 0 164,-2.4 163,-3.2 -10,-0.2 2,-0.4 -0.949 11.8-161.5-116.4 138.0 56.3 1.1 58.5 98 114 A Y E +GH 86 259A 31 -12,-2.9 -12,-2.2 -2,-0.4 161,-0.2 -0.991 19.4 155.1-129.1 130.7 52.6 -0.2 58.0 99 115 A A - 0 0 0 159,-1.4 -14,-0.1 -2,-0.4 -2,-0.0 -0.975 48.4 -90.9-151.5 147.9 49.5 2.0 58.2 100 116 A P > - 0 0 33 0, 0.0 3,-2.5 0, 0.0 -17,-0.1 -0.218 40.0-111.2 -57.9 154.4 46.0 1.6 56.6 101 117 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.792 116.9 64.4 -62.2 -25.7 45.4 3.2 53.1 102 118 A Q T 3 S+ 0 0 172 2,-0.1 2,-1.0 1,-0.0 -22,-0.1 0.634 83.4 82.7 -70.4 -16.5 43.1 5.8 54.7 103 119 A V S < S- 0 0 4 -3,-2.5 -4,-0.1 -23,-0.0 5,-0.1 -0.860 90.4-134.6 -84.8 106.1 46.0 7.1 56.7 104 120 A T >> - 0 0 57 -2,-1.0 4,-2.6 1,-0.1 3,-0.7 -0.149 16.1-109.8 -63.1 154.5 47.5 9.4 54.0 105 121 A D H 3> S+ 0 0 49 1,-0.3 4,-3.3 2,-0.2 161,-0.2 0.860 119.7 62.0 -54.2 -26.0 51.2 9.5 53.2 106 122 A T H 3> S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.919 106.1 44.3 -64.5 -41.8 51.3 12.9 54.8 107 123 A A H <> S+ 0 0 1 -3,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.932 113.3 50.5 -72.7 -34.8 50.2 11.3 58.0 108 124 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 107.4 54.8 -69.1 -35.3 52.7 8.5 57.6 109 125 A N H X S+ 0 0 1 -4,-3.3 4,-1.6 1,-0.3 -1,-0.2 0.867 105.3 52.3 -66.4 -39.5 55.5 11.0 56.9 110 126 A I H X S+ 0 0 23 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.3 0.915 109.4 49.9 -59.7 -37.8 54.8 12.8 60.1 111 127 A V H X S+ 0 0 3 -4,-2.0 4,-3.3 1,-0.2 5,-0.3 0.921 105.0 56.7 -63.8 -36.4 55.0 9.4 61.9 112 128 A R H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.889 101.3 59.7 -65.4 -28.9 58.4 8.8 60.1 113 129 A G H X S+ 0 0 0 -4,-1.6 4,-0.8 629,-0.3 -1,-0.2 0.944 109.9 40.7 -65.5 -37.1 59.5 12.1 61.8 114 130 A I H >X S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 4,-0.5 0.928 114.8 50.7 -71.4 -51.0 58.9 10.6 65.2 115 131 A L H >< S+ 0 0 0 -4,-3.3 3,-1.4 1,-0.2 4,-0.4 0.829 97.0 70.9 -57.9 -29.6 60.3 7.2 64.3 116 132 A N H >< S+ 0 0 2 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.884 91.4 59.2 -54.1 -32.7 63.4 8.9 63.0 117 133 A L H << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.785 99.4 56.7 -66.8 -29.3 64.4 9.8 66.5 118 134 A F T << S+ 0 0 1 -3,-1.4 2,-0.7 -4,-0.5 -1,-0.3 0.463 76.7 110.4 -81.3 -2.3 64.4 6.1 67.5 119 135 A Q < + 0 0 2 -3,-1.5 2,-0.4 -4,-0.4 -26,-0.2 -0.636 43.4 165.2 -76.2 114.0 67.0 5.3 64.7 120 136 A L - 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0 0 24 -2,-0.3 2,-0.2 452,-0.2 -4,-0.1 -0.605 42.3-123.6 -76.5 132.9 45.4 44.4 33.0 306 322 A H > - 0 0 62 -2,-0.4 3,-2.3 -9,-0.1 -5,-0.0 -0.522 25.6-119.4 -69.0 138.5 44.0 44.0 36.5 307 323 A E T 3 S+ 0 0 97 1,-0.3 4,-0.2 -2,-0.2 -1,-0.1 0.859 111.8 39.5 -48.1 -43.1 46.8 44.4 39.0 308 324 A D T 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.1 3,-0.4 0.228 80.4 111.5 -92.5 13.0 46.4 40.9 40.4 309 325 A A H <> S+ 0 0 0 -3,-2.3 4,-2.6 1,-0.3 5,-0.2 0.920 76.6 51.4 -62.1 -41.5 45.8 39.1 37.1 310 326 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.876 110.3 50.1 -62.5 -32.9 49.1 37.2 37.1 311 327 A A H > S+ 0 0 25 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.910 110.4 48.6 -74.8 -30.6 48.3 36.0 40.6 312 328 A K H X S+ 0 0 42 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.844 109.6 53.4 -74.0 -31.9 44.8 34.8 39.6 313 329 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.865 107.1 50.5 -65.1 -41.2 46.4 33.1 36.6 314 330 A L H X S+ 0 0 14 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.929 112.9 49.4 -60.4 -35.7 48.8 31.4 39.1 315 331 A R H X S+ 0 0 74 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 107.7 51.0 -68.0 -42.2 45.6 30.4 41.0 316 332 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.941 111.3 48.9 -58.3 -46.3 43.9 29.1 38.0 317 333 A T H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.882 107.7 54.2 -63.0 -41.3 46.9 27.0 37.1 318 334 A A H < S+ 0 0 6 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.900 112.5 44.7 -62.0 -41.4 47.1 25.6 40.7 319 335 A F H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.918 110.1 53.7 -68.6 -40.3 43.4 24.5 40.4 320 336 A L H >< S+ 0 0 12 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.855 99.4 63.1 -63.5 -36.4 43.7 23.1 37.0 321 337 A R T 3< S+ 0 0 18 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.712 100.8 55.2 -60.3 -17.1 46.6 20.9 38.2 322 338 A N T < S+ 0 0 34 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.398 98.6 70.8 -99.9 4.0 44.2 19.2 40.4 323 339 A V S < S- 0 0 13 -3,-1.9 33,-0.1 -4,-0.2 2,-0.1 -0.835 75.6-122.5-117.7 152.0 41.6 18.2 37.8 324 340 A D > - 0 0 87 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.283 36.6 -91.9 -87.3-176.3 41.8 15.5 35.1 325 341 A A H > S+ 0 0 1 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.858 122.6 62.6 -68.7 -26.4 41.4 15.8 31.4 326 342 A G H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.904 104.6 45.2 -61.1 -46.7 37.6 15.1 31.7 327 343 A V H > S+ 0 0 28 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.930 111.5 54.4 -65.1 -38.0 37.0 18.2 33.8 328 344 A L H X S+ 0 0 11 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.957 108.5 49.2 -55.9 -50.7 39.2 20.2 31.3 329 345 A Q H X S+ 0 0 64 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.885 108.6 52.1 -59.2 -37.1 36.9 18.9 28.5 330 346 A S H X S+ 0 0 51 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.821 112.1 46.6 -71.4 -30.9 33.7 19.9 30.3 331 347 A I H X S+ 0 0 5 -4,-2.2 4,-1.4 -3,-0.2 -1,-0.2 0.921 112.7 47.8 -73.2 -47.1 35.0 23.4 30.8 332 348 A W H X S+ 0 0 4 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.903 106.7 59.4 -58.2 -43.9 36.2 23.8 27.2 333 349 A H H < S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.3 4,-0.2 0.916 108.0 44.8 -51.9 -44.2 32.9 22.4 26.0 334 350 A K H < S+ 0 0 114 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 127.3 25.1 -75.7 -22.4 31.0 25.3 27.7 335 351 A L H >< S+ 0 0 29 -4,-1.4 3,-2.1 -3,-0.2 7,-0.5 0.524 81.0 103.1-127.6 4.9 33.3 28.1 26.7 336 352 A H T 3< S+ 0 0 49 -4,-2.7 -1,-0.1 1,-0.3 -3,-0.1 0.693 84.4 55.9 -66.2 -15.2 35.1 27.3 23.5 337 353 A Q T 3 S+ 0 0 162 -4,-0.2 2,-0.9 -5,-0.2 -1,-0.3 0.530 86.8 87.5 -92.7 -0.3 32.8 29.6 21.5 338 354 A Q S <> S- 0 0 111 -3,-2.1 4,-3.1 1,-0.2 3,-0.3 -0.825 76.2-145.7 -98.5 115.5 33.5 32.6 23.7 339 355 A K H > S+ 0 0 131 -2,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.783 93.1 41.0 -48.8 -40.7 36.6 34.2 22.2 340 356 A D H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.860 114.7 47.0 -82.9 -43.4 38.0 35.3 25.5 341 357 A Y H > S+ 0 0 32 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.958 113.3 53.8 -60.9 -39.9 37.3 32.3 27.7 342 358 A R H X S+ 0 0 36 -4,-3.1 4,-2.0 -7,-0.5 -2,-0.2 0.909 108.8 45.6 -59.6 -52.6 38.7 30.3 24.9 343 359 A R H X S+ 0 0 33 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.946 112.3 51.7 -60.4 -38.3 41.9 32.2 24.7 344 360 A W H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.847 110.1 50.0 -68.9 -36.1 42.4 32.2 28.5 345 361 A I H X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.890 108.8 48.3 -69.2 -44.7 41.9 28.5 28.7 346 362 A L H < S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.783 111.9 52.7 -66.5 -33.7 44.4 27.6 25.9 347 363 A D H X S+ 0 0 14 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.848 106.9 52.9 -61.9 -40.0 46.9 29.9 27.7 348 364 A A H X S+ 0 0 1 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.829 96.4 71.0 -68.8 -23.8 46.3 28.0 30.9 349 365 A V H X S+ 0 0 3 -4,-1.3 4,-0.6 1,-0.2 5,-0.3 0.839 98.0 43.1 -61.9 -52.3 47.0 24.6 29.3 350 366 A P H >4 S+ 0 0 12 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.835 112.3 57.4 -61.8 -37.0 50.8 24.8 28.8 351 367 A A H 3< S+ 0 0 5 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.798 92.4 68.5 -67.3 -30.9 51.1 26.3 32.3 352 368 A M H 3< S- 0 0 0 -4,-1.3 -1,-0.2 -3,-0.1 -3,-0.1 0.868 78.2-167.6 -53.4 -43.9 49.5 23.3 33.9 353 369 A A << + 0 0 0 -4,-0.6 34,-2.4 -3,-0.6 2,-0.3 0.598 41.5 120.4 71.5 6.4 52.5 21.2 33.1 354 370 A T S >> S- 0 0 13 -5,-0.3 4,-1.2 32,-0.2 3,-0.8 -0.712 75.9-115.0-101.7 165.6 50.7 17.9 33.9 355 371 A S H 3> S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.870 113.5 65.2 -73.8 -22.7 50.0 15.0 31.7 356 372 A E H 3> S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.853 99.8 53.2 -62.9 -29.9 46.3 15.6 31.9 357 373 A A H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.868 109.5 48.2 -70.8 -41.0 46.8 18.9 30.1 358 374 A L H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.906 110.0 50.9 -71.0 -38.0 48.6 17.2 27.4 359 375 A L H X S+ 0 0 17 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.956 110.4 49.4 -62.7 -49.1 45.9 14.5 27.1 360 376 A F H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.921 112.8 49.7 -49.2 -49.2 43.2 17.3 26.8 361 377 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.898 107.9 51.3 -56.9 -50.2 45.4 18.9 24.1 362 378 A K H X S+ 0 0 42 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.975 113.9 45.8 -53.6 -48.9 45.8 15.6 22.2 363 379 A R H X S+ 0 0 98 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.900 112.1 49.8 -62.3 -44.2 42.0 15.2 22.2 364 380 A T H <>S+ 0 0 0 -4,-2.8 5,-2.0 -5,-0.2 6,-0.4 0.960 113.9 45.4 -63.7 -46.4 41.3 18.8 21.2 365 381 A L H ><5S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.952 111.6 51.8 -58.0 -53.3 43.7 18.7 18.3 366 382 A A H 3<5S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.725 108.2 51.1 -58.7 -30.8 42.5 15.3 17.0 367 383 A S T 3<5S- 0 0 63 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.255 114.4-120.3 -91.5 9.4 38.8 16.5 17.0 368 384 A E T < 5 + 0 0 135 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.706 69.1 136.3 62.8 34.8 39.9 19.5 15.0 369 385 A Q < + 0 0 64 -5,-2.0 2,-0.3 2,-0.0 -4,-0.2 0.731 53.0 67.2 -88.0 -16.1 38.8 22.1 17.5 370 386 A L S S- 0 0 6 -6,-0.4 2,-0.1 -5,-0.2 0, 0.0 -0.751 78.7-122.6-105.6 152.5 41.8 24.4 17.3 371 387 A T > - 0 0 72 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.315 32.0-105.7 -78.8 171.4 43.1 26.5 14.5 372 388 A S H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.880 120.9 51.0 -63.1 -40.7 46.6 26.1 13.1 373 389 A A H > S+ 0 0 61 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.902 112.2 44.2 -68.4 -42.7 47.7 29.3 14.8 374 390 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.925 112.4 54.1 -66.6 -41.7 46.4 28.3 18.2 375 391 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.891 108.1 49.6 -59.7 -36.8 47.8 24.8 17.8 376 392 A T H X S+ 0 0 49 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.771 110.4 48.9 -79.1 -22.2 51.2 26.2 17.1 377 393 A Q H X S+ 0 0 107 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.868 121.6 35.7 -75.5 -37.5 51.2 28.5 20.1 378 394 A I H X S+ 0 0 5 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.833 107.7 58.0 -89.7 -32.7 50.1 25.7 22.4 379 395 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.952 113.8 47.3 -66.3 -36.6 51.8 22.5 21.1 380 396 A A H X S+ 0 0 38 -4,-0.5 4,-1.3 -5,-0.4 -1,-0.2 0.938 114.2 42.2 -59.4 -71.2 54.9 24.5 21.7 381 397 A S H X S+ 0 0 46 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.966 117.2 49.3 -52.7 -44.9 54.1 25.8 25.1 382 398 A T H < S+ 0 0 0 -4,-3.6 4,-0.3 1,-0.2 -2,-0.2 0.821 106.4 47.4 -70.0 -47.0 52.7 22.4 26.3 383 399 A L H >< S+ 0 0 4 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.907 117.2 43.3 -62.1 -40.6 55.2 19.9 25.4 384 400 A S H 3< S+ 0 0 48 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.655 109.0 55.6 -81.3 -26.2 58.1 21.8 26.8 385 401 A N T 3< S+ 0 0 48 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.403 82.6 125.7 -85.7 7.0 56.5 23.0 30.0 386 402 A Q < - 0 0 0 -3,-0.7 2,-1.6 -4,-0.3 -32,-0.2 -0.292 66.8-134.6 -68.4 138.9 55.7 19.4 31.0 387 403 A Q - 0 0 44 -34,-2.4 -32,-0.2 -213,-0.1 5,-0.2 -0.786 50.7-126.9 -84.1 83.5 56.7 18.0 34.4 388 404 A A + 0 0 20 -2,-1.6 2,-0.3 -4,-0.1 -34,-0.0 -0.078 46.8 154.9 -49.0 126.5 57.8 15.0 32.3 389 405 A T > - 0 0 58 1,-0.0 4,-1.7 -35,-0.0 5,-0.1 -0.834 58.1 -92.9-132.4-179.5 56.6 11.6 33.3 390 406 A R H > S+ 0 0 109 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.832 125.8 52.3 -66.0 -36.6 56.1 8.4 31.3 391 407 A E H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.912 106.9 54.0 -65.6 -39.7 52.4 9.2 30.6 392 408 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 108.6 49.4 -53.1 -49.1 53.5 12.6 29.3 393 409 A L H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.931 111.3 49.5 -64.6 -36.8 55.9 10.8 26.9 394 410 A S H X S+ 0 0 52 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.958 112.7 45.0 -66.9 -50.5 53.2 8.5 25.7 395 411 A Y H X S+ 0 0 22 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.861 111.6 53.7 -63.7 -32.2 50.7 11.2 25.0 396 412 A A H X S+ 0 0 2 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.959 109.6 48.4 -66.6 -38.1 53.4 13.2 23.3 397 413 A R H X S+ 0 0 96 -4,-2.4 4,-0.6 1,-0.3 3,-0.4 0.934 109.9 50.7 -64.6 -47.2 54.2 10.2 21.1 398 414 A E H >< S+ 0 0 82 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.885 105.8 59.2 -58.6 -32.1 50.6 9.7 20.2 399 415 A L H >< S+ 0 0 1 -4,-1.7 3,-1.6 -5,-0.3 6,-0.2 0.888 97.5 56.4 -66.4 -37.5 50.4 13.4 19.4 400 416 A L H 3< S+ 0 0 23 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.665 105.9 54.4 -64.4 -17.0 53.1 13.1 16.7 401 417 A N T << S+ 0 0 95 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.429 83.9 113.7 -93.9 -2.9 50.8 10.4 15.1 402 418 A T X> - 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0 0 35 -5,-1.8 4,-2.1 1,-0.2 3,-0.7 -0.812 29.0-164.4-103.0 104.8 64.6 13.3 2.3 454 470 A E H 3> S+ 0 0 0 -2,-0.8 4,-2.1 225,-0.5 -1,-0.2 0.818 84.6 52.9 -61.0 -42.7 67.1 15.9 3.4 455 471 A E H 3> S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.813 110.3 48.2 -59.6 -45.4 64.5 18.1 5.3 456 472 A E H <> S+ 0 0 44 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.853 109.7 51.4 -65.9 -40.9 63.3 15.2 7.3 457 473 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 -9,-0.3 5,-0.2 0.915 111.4 50.4 -58.6 -41.7 66.9 14.1 8.2 458 474 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.913 110.1 48.2 -62.9 -51.7 67.5 17.6 9.4 459 475 A L H X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.899 113.0 48.2 -56.8 -48.1 64.4 17.8 11.5 460 476 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.855 111.6 49.8 -63.5 -39.3 65.1 14.4 13.1 461 477 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.868 110.8 49.7 -64.4 -45.4 68.8 15.4 13.9 462 478 A K H X S+ 0 0 8 -4,-2.3 4,-1.7 -5,-0.2 233,-0.3 0.878 112.1 47.5 -60.4 -34.2 67.7 18.6 15.4 463 479 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.823 113.0 47.4 -76.3 -37.7 65.1 16.9 17.6 464 480 A L H X>S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.5 0.803 106.7 58.4 -68.5 -32.7 67.6 14.2 18.7 465 481 A G H <5S+ 0 0 7 -4,-2.0 39,-0.3 2,-0.2 -2,-0.2 0.919 109.5 45.9 -54.1 -46.7 69.9 17.2 19.3 466 482 A N H <5S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.938 106.9 55.1 -62.9 -45.3 67.1 18.3 21.7 467 483 A A H <5S- 0 0 0 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.909 89.6-165.0 -64.7 -32.7 66.7 14.9 23.3 468 484 A G T <5 + 0 0 2 -4,-2.3 -3,-0.1 1,-0.2 -1,-0.1 0.807 25.6 152.7 66.3 31.5 70.5 15.1 24.1 469 485 A Q > < - 0 0 14 -5,-0.5 3,-2.2 1,-0.1 -1,-0.2 -0.802 49.8-141.6-110.2 141.0 71.0 11.4 24.9 470 486 A P G > S+ 0 0 36 0, 0.0 3,-2.5 0, 0.0 4,-0.4 0.826 100.6 74.1 -60.3 -30.4 74.3 9.5 24.5 471 487 A N G 3 S+ 0 0 37 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.697 93.2 58.3 -55.7 -20.6 72.2 6.5 23.3 472 488 A S G <> S+ 0 0 0 -3,-2.2 4,-2.8 1,-0.1 -1,-0.3 0.478 77.7 90.3 -83.0 -13.9 71.9 8.6 20.1 473 489 A I H <> S+ 0 0 3 -3,-2.5 4,-2.3 1,-0.2 -1,-0.1 0.937 85.1 50.7 -57.9 -40.4 75.5 8.9 19.3 474 490 A K H > S+ 0 0 152 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.878 113.7 45.7 -66.6 -34.9 75.7 5.7 17.2 475 491 A K H >4 S+ 0 0 66 -4,-0.3 3,-0.7 1,-0.2 4,-0.3 0.920 113.6 48.5 -76.2 -38.9 72.7 6.9 15.1 476 492 A I H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 4,-0.3 0.869 99.6 68.0 -66.8 -35.2 74.0 10.4 14.7 477 493 A Q H >< S+ 0 0 49 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.788 85.2 69.6 -61.5 -24.4 77.5 9.2 13.6 478 494 A R T << S+ 0 0 186 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.783 104.2 43.5 -59.5 -30.0 76.2 7.8 10.4 479 495 A F T < S+ 0 0 7 -3,-2.1 -1,-0.3 -4,-0.3 19,-0.3 0.365 93.6 101.7 -97.2 1.1 75.6 11.4 9.3 480 496 A L S X S- 0 0 6 -3,-1.3 3,-0.6 -4,-0.3 16,-0.1 -0.647 77.9-103.6 -86.1 160.3 78.9 12.9 10.5 481 497 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 45,-0.1 -0.170 98.5 18.3 -74.6 155.4 81.8 13.7 8.2 482 498 A G T 3 S+ 0 0 36 1,-0.1 44,-0.0 43,-0.1 3,-0.0 0.781 73.6 136.8 54.0 37.8 84.9 11.3 8.3 483 499 A Q S < S- 0 0 84 -3,-0.6 2,-0.2 -5,-0.1 -1,-0.1 0.575 79.8 -18.2 -92.2 -2.5 83.2 8.2 9.9 484 500 A G S S- 0 0 51 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.709 114.7 -39.7-163.6-149.2 84.8 5.7 7.5 485 501 A K S S- 0 0 201 -2,-0.2 -3,-0.0 1,-0.2 2,-0.0 0.430 102.2 -96.8 -70.3 7.2 86.6 5.9 4.1 486 502 A S - 0 0 64 1,-0.1 2,-0.2 -5,-0.0 -1,-0.2 0.392 34.8-155.2 76.3 129.4 83.8 8.4 3.5 487 503 A L - 0 0 104 -3,-0.1 2,-0.5 3,-0.0 -1,-0.1 -0.713 22.7-147.3-127.1 73.6 80.6 7.3 1.8 488 504 A D + 0 0 120 1,-0.2 189,-0.1 -2,-0.2 3,-0.1 -0.305 55.3 124.4 -52.0 99.1 79.7 10.7 0.5 489 505 A E + 0 0 42 -2,-0.5 189,-1.4 1,-0.1 2,-0.4 0.273 54.5 71.2-139.6 3.2 75.9 10.5 0.6 490 506 A Y S S- 0 0 25 187,-0.1 -1,-0.1 -3,-0.1 187,-0.1 -0.993 76.2-119.1-126.4 140.0 75.0 13.5 2.8 491 507 A S > - 0 0 4 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.138 32.1-107.8 -65.3 165.3 75.2 17.3 2.1 492 508 A T H > S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.952 121.6 59.5 -58.5 -38.3 77.3 19.7 4.2 493 509 A R H > S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.841 106.3 43.5 -57.8 -47.4 74.0 20.9 5.6 494 510 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.931 115.5 49.1 -66.4 -44.3 73.1 17.5 7.0 495 511 A Q H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.881 109.5 52.2 -61.0 -43.2 76.6 16.9 8.3 496 512 A A H X S+ 0 0 3 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.904 110.8 47.6 -60.6 -43.5 76.6 20.3 10.0 497 513 A E H X S+ 0 0 24 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.845 108.7 54.9 -70.3 -30.6 73.3 19.5 11.7 498 514 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 -19,-0.3 -2,-0.2 0.908 109.9 46.8 -68.0 -35.7 74.7 16.1 12.8 499 515 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.960 112.6 48.6 -71.4 -41.2 77.7 17.9 14.4 500 516 A M H >< S+ 0 0 21 -4,-2.4 3,-1.9 1,-0.3 4,-0.3 0.825 99.2 69.5 -67.7 -29.2 75.4 20.5 16.2 501 517 A A T 3< S+ 0 0 2 -4,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.458 88.8 65.2 -61.6 -17.4 73.2 17.6 17.4 502 518 A L T <> S+ 0 0 0 -3,-1.9 4,-1.4 1,-0.1 -1,-0.3 0.459 77.8 89.2 -81.5 -10.1 76.0 16.5 19.7 503 519 A R T <4 S+ 0 0 11 -3,-1.9 4,-0.2 2,-0.2 3,-0.2 0.896 90.6 38.0 -60.6 -52.0 75.8 19.6 21.9 504 520 A N T >4 S+ 0 0 5 -39,-0.3 3,-1.4 -4,-0.3 4,-0.3 0.834 113.0 60.7 -71.9 -25.2 73.3 18.7 24.5 505 521 A I G >> S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.3 3,-1.6 0.869 97.0 59.7 -62.4 -33.1 74.7 15.2 24.5 506 522 A A G 3< S+ 0 0 9 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.563 89.4 70.6 -74.8 -14.2 78.0 16.7 25.6 507 523 A K G <4 S+ 0 0 63 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.585 114.1 27.2 -70.1 -22.0 76.5 18.1 28.7 508 524 A R T <4 S+ 0 0 136 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.1 0.619 138.6 22.2-107.3 -40.8 76.2 14.5 30.0 509 525 A D X + 0 0 41 -4,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.516 64.4 158.5-128.8 75.9 79.1 12.7 28.2 510 526 A P H > S+ 0 0 49 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.923 76.2 55.6 -67.4 -32.9 81.6 15.3 27.1 511 527 A R H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 107.8 48.1 -66.5 -39.8 84.4 12.8 26.8 512 528 A K H > S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.913 113.6 47.4 -71.3 -29.7 82.4 10.7 24.4 513 529 A V H >X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-1.2 0.925 109.7 53.4 -73.1 -44.7 81.6 13.8 22.3 514 530 A Q H 3X S+ 0 0 23 -4,-3.4 4,-2.3 1,-0.3 -2,-0.2 0.913 104.3 56.5 -56.5 -40.6 85.3 15.0 22.3 515 531 A E H 3< S+ 0 0 100 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.713 113.4 41.9 -59.6 -30.2 86.3 11.6 21.0 516 532 A I H S+ 0 0 76 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.785 112.6 53.2 -68.0 -26.1 89.2 13.6 14.9 520 536 A I H >< S+ 0 0 3 -4,-0.6 3,-1.0 2,-0.2 6,-0.2 0.952 110.5 44.7 -70.8 -46.1 86.8 15.5 12.8 521 537 A F H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.1 0.800 112.8 52.6 -59.5 -37.8 88.4 18.9 13.6 522 538 A L H 3< S+ 0 0 32 -4,-2.0 2,-1.0 -5,-0.2 -1,-0.2 0.616 85.9 98.0 -78.3 -12.2 91.9 17.4 13.0 523 539 A N X< - 0 0 65 -3,-1.0 3,-1.8 -4,-0.6 8,-0.1 -0.598 55.8-167.2 -86.6 107.4 90.9 16.0 9.5 524 540 A V T 3 S+ 0 0 70 -2,-1.0 -1,-0.2 1,-0.3 4,-0.1 0.709 81.8 66.2 -76.4 -6.4 92.2 18.5 7.0 525 541 A A T 3 S+ 0 0 89 2,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.584 82.6 96.7 -83.6 -14.9 90.2 16.9 4.2 526 542 A I S < S- 0 0 10 -3,-1.8 5,-0.1 -6,-0.2 -6,-0.0 -0.619 89.2 -93.8 -80.3 142.5 86.9 17.9 5.8 527 543 A K >> - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 -0.255 34.1-118.3 -52.2 145.7 85.1 21.1 4.7 528 544 A S H 3> S+ 0 0 19 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.815 110.9 56.0 -53.5 -48.9 85.9 24.2 6.8 529 545 A E H 3> S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.910 109.1 46.4 -57.5 -42.2 82.4 24.7 8.0 530 546 A L H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.861 112.9 48.5 -70.7 -37.8 82.2 21.2 9.4 531 547 A R H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.910 111.5 50.5 -65.8 -42.2 85.6 21.4 11.1 532 548 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.927 109.6 50.3 -63.4 -41.2 84.7 24.8 12.6 533 549 A R H X S+ 0 0 21 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.867 107.9 52.6 -63.2 -42.9 81.4 23.4 13.9 534 550 A S H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.924 108.6 52.5 -59.7 -32.1 83.3 20.4 15.4 535 551 A C H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.889 107.1 51.2 -68.7 -35.3 85.5 23.1 17.1 536 552 A I H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.977 113.4 45.5 -65.4 -44.2 82.4 24.9 18.5 537 553 A V H X S+ 0 0 1 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.933 112.2 52.0 -65.4 -44.7 81.2 21.6 19.9 538 554 A F H >< S+ 0 0 3 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.947 111.1 45.0 -56.9 -49.2 84.6 20.7 21.3 539 555 A F H >< S+ 0 0 7 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.892 108.8 55.3 -70.1 -35.5 85.2 23.9 23.2 540 556 A E H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 98.7 64.5 -67.7 -20.2 81.6 23.9 24.7 541 557 A S T << S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.319 113.3-118.9 -82.2 0.6 82.3 20.4 26.1 542 558 A K < - 0 0 76 -3,-1.7 -3,-0.1 1,-0.1 -2,-0.1 0.967 36.3-153.3 63.6 64.2 85.1 22.0 28.3 543 559 A P - 0 0 3 0, 0.0 45,-0.1 0, 0.0 -1,-0.1 -0.249 14.4-103.0 -67.1 158.6 88.1 20.1 27.0 544 560 A S > - 0 0 64 1,-0.1 4,-2.6 44,-0.1 5,-0.2 -0.230 32.7-104.2 -73.5 162.7 91.3 19.3 29.1 545 561 A V H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.834 121.6 52.1 -50.3 -43.6 94.6 21.2 28.7 546 562 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 110.4 46.3 -65.1 -45.6 96.1 18.4 26.9 547 563 A L H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.918 113.2 49.2 -62.3 -44.3 93.3 18.2 24.3 548 564 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 110.6 52.5 -66.2 -30.2 93.3 21.9 23.8 549 565 A S H X S+ 0 0 16 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.853 103.0 55.8 -69.8 -42.1 97.1 21.7 23.3 550 566 A M H X S+ 0 0 93 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 109.3 49.1 -51.0 -44.4 96.8 19.0 20.7 551 567 A V H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.934 110.5 49.5 -66.8 -38.7 94.6 21.4 18.8 552 568 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.929 110.1 49.4 -73.9 -37.2 97.0 24.3 19.2 553 569 A V H >< S+ 0 0 73 -4,-2.8 3,-1.9 1,-0.2 4,-0.5 0.975 108.1 54.0 -62.4 -47.0 99.9 22.3 18.0 554 570 A R H >< S+ 0 0 138 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.792 101.7 62.5 -54.4 -27.6 98.0 21.1 14.9 555 571 A L H >< S+ 0 0 7 -4,-1.6 3,-1.4 1,-0.2 -1,-0.3 0.773 83.9 73.5 -72.8 -20.8 97.2 24.7 14.1 556 572 A R T << S+ 0 0 160 -3,-1.9 -1,-0.2 -4,-0.7 -2,-0.2 0.884 113.9 26.2 -60.4 -30.4 100.9 25.6 13.6 557 573 A R T < S+ 0 0 227 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 -0.107 86.3 145.2-117.0 20.0 100.7 23.7 10.3 558 574 A E < - 0 0 23 -3,-1.4 -3,-0.1 1,-0.2 6,-0.1 -0.562 33.6-162.1 -65.9 123.3 96.9 24.1 9.5 559 575 A P S S+ 0 0 86 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.859 72.1 73.7 -75.6 -31.8 96.5 24.5 5.7 560 576 A N > - 0 0 42 1,-0.2 4,-2.5 2,-0.1 3,-0.3 -0.684 62.3-166.9 -89.8 116.9 92.9 25.9 5.9 561 577 A L H > S+ 0 0 78 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.766 85.5 60.0 -74.0 -29.5 93.0 29.5 7.1 562 578 A Q H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.929 110.6 43.6 -59.1 -48.7 89.3 29.7 7.8 563 579 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.938 115.5 49.0 -64.4 -40.5 89.7 26.9 10.3 564 580 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.880 109.8 49.8 -67.6 -45.7 92.9 28.4 11.7 565 581 A S H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 45,-0.3 0.885 113.0 48.0 -56.7 -43.7 91.5 31.9 12.2 566 582 A F H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 44,-0.3 0.939 114.8 42.8 -65.6 -56.5 88.4 30.5 14.0 567 583 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.868 113.6 51.1 -60.2 -40.7 90.3 28.2 16.3 568 584 A Y H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.922 112.6 46.0 -65.4 -39.5 93.0 30.7 17.2 569 585 A S H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.896 110.7 53.1 -75.2 -31.5 90.4 33.4 18.0 570 586 A Q H X S+ 0 0 10 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.933 113.5 43.7 -65.4 -44.5 88.2 31.0 20.1 571 587 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.949 115.2 47.1 -69.2 -46.2 91.3 30.0 22.2 572 588 A R H < S+ 0 0 24 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.911 116.1 45.9 -60.3 -39.8 92.6 33.5 22.5 573 589 A S H >< S+ 0 0 1 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.931 113.5 46.8 -72.4 -40.5 89.1 34.8 23.5 574 590 A L H >< S+ 0 0 7 -4,-2.9 3,-2.3 1,-0.3 -1,-0.2 0.834 100.4 68.1 -71.5 -27.7 88.3 32.1 25.9 575 591 A S T 3< S+ 0 0 23 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.682 98.3 53.6 -64.7 -19.4 91.7 32.4 27.6 576 592 A R T < S+ 0 0 118 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.396 78.7 130.0 -92.8 5.0 90.5 35.8 28.8 577 593 A S < - 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