==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(ANTIBODY-ANTIGEN) 04-MAY-93 1JHL . COMPND 2 MOLECULE: IGG1-KAPPA D11.15 FV (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR V.CHITARRA,P.M.ALZARI,G.A.BENTLEY,T.N.BHAT,J.-L.EISELE, . 353 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 28 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 3 4 3 4 1 6 0 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 2 0 0 0 0 0 0 0 0 0 1 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 L D 0 0 127 0, 0.0 2,-0.2 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 139.4 59.7 -24.7 13.9 2 2 L I - 0 0 5 93,-0.4 2,-0.5 91,-0.2 88,-0.1 -0.475 360.0-152.4 -70.4 135.2 62.2 -24.6 11.0 3 3 L E - 0 0 126 -2,-0.2 23,-1.1 94,-0.1 2,-0.5 -0.978 7.2-159.9-112.5 126.1 60.6 -23.2 8.0 4 4 L L E -A 25 0A 16 94,-0.5 2,-0.5 -2,-0.5 21,-0.2 -0.947 2.3-159.4-111.3 127.8 62.1 -24.5 4.8 5 5 L T E -A 24 0A 62 19,-2.4 19,-2.4 -2,-0.5 2,-0.3 -0.934 11.3-157.1 -98.1 125.3 61.6 -22.5 1.7 6 6 L Q E -A 23 0A 19 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.854 18.1-116.8-108.0 150.5 62.0 -24.6 -1.4 7 7 L S E S+A 22 0A 34 15,-2.6 15,-2.1 -2,-0.3 2,-0.1 -0.948 77.3 5.8-152.6 129.9 62.9 -23.0 -4.8 8 8 L P - 0 0 56 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.635 57.8-154.5 -85.6 174.1 61.5 -22.8 -7.3 9 9 L S S S+ 0 0 82 1,-0.2 94,-2.7 93,-0.2 2,-0.4 0.826 88.2 37.1 -76.6 -29.6 58.1 -24.3 -6.9 10 10 L Y E +d 103 0B 123 92,-0.2 2,-0.4 94,-0.1 -1,-0.2 -0.971 61.3 164.4-131.6 134.0 58.2 -25.1 -10.7 11 11 L L E -d 104 0B 42 92,-1.8 94,-2.0 -2,-0.4 2,-0.4 -0.983 13.8-165.9-135.8 135.6 61.0 -26.1 -12.9 12 12 L V E +d 105 0B 45 -2,-0.4 2,-0.3 92,-0.2 94,-0.2 -0.889 18.7 170.2-114.5 155.3 60.5 -27.6 -16.3 13 13 L A E -d 106 0B 0 92,-1.7 94,-2.6 -2,-0.4 6,-0.1 -0.990 31.5-118.3-157.7 163.9 63.4 -29.3 -18.0 14 14 L S > - 0 0 32 -2,-0.3 3,-2.2 92,-0.2 64,-0.3 -0.878 45.1 -94.4-112.7 143.5 64.4 -31.4 -20.9 15 15 L P T 3 S+ 0 0 70 0, 0.0 64,-0.2 0, 0.0 3,-0.1 -0.321 111.5 33.3 -61.3 139.1 65.9 -34.9 -20.5 16 16 L G T 3 S+ 0 0 51 62,-1.2 61,-0.5 1,-0.4 2,-0.1 -0.009 98.2 102.1 102.0 -22.5 69.7 -34.8 -20.5 17 17 L E S < S- 0 0 78 -3,-2.2 61,-1.7 59,-0.2 -1,-0.4 -0.438 70.7-115.3 -90.9 167.7 70.0 -31.4 -18.9 18 18 L T - 0 0 81 59,-0.2 58,-0.2 58,-0.1 2,-0.2 -0.881 26.2-171.2-100.5 137.9 70.8 -30.6 -15.2 19 19 L I E - B 0 75A 12 56,-2.3 56,-1.5 -2,-0.4 2,-0.3 -0.617 5.5-158.3-116.5 176.3 68.5 -29.0 -12.7 20 20 L T E - B 0 74A 62 54,-0.2 2,-0.4 -2,-0.2 54,-0.2 -0.926 2.5-166.2-160.9 123.4 69.1 -27.6 -9.1 21 21 L I E - B 0 73A 0 52,-3.0 52,-2.0 -2,-0.3 2,-0.3 -0.906 12.9-147.3-113.9 143.8 66.5 -27.1 -6.3 22 22 L N E -AB 7 72A 54 -15,-2.1 -15,-2.6 -2,-0.4 2,-0.4 -0.860 7.7-162.9-113.5 154.8 67.4 -25.0 -3.3 23 23 L a E -AB 6 71A 1 48,-2.3 48,-1.6 -2,-0.3 2,-0.5 -0.998 5.1-165.2-135.5 125.9 66.1 -25.5 0.2 24 24 L R E -AB 5 70A 147 -19,-2.4 -19,-2.4 -2,-0.4 46,-0.2 -0.982 6.7-154.3-118.6 116.1 66.5 -22.6 2.8 25 25 L A E -A 4 0A 5 44,-1.8 -21,-0.2 -2,-0.5 -23,-0.1 -0.610 20.8-129.4 -83.5 148.9 66.0 -23.4 6.6 26 26 L S S S+ 0 0 60 -23,-1.1 2,-0.3 -2,-0.2 -22,-0.1 0.640 97.3 13.2 -71.5 -18.5 64.8 -20.5 9.1 27 27 L K S S- 0 0 98 -24,-0.2 2,-0.2 41,-0.2 -24,-0.1 -0.935 105.8 -73.7-142.9 170.9 67.7 -21.6 11.3 28 28 L S - 0 0 66 -2,-0.3 41,-0.2 1,-0.1 40,-0.2 -0.486 35.4-170.0 -65.8 124.3 70.9 -23.8 10.8 29 29 L I > - 0 0 0 39,-2.3 3,-2.7 -2,-0.2 62,-0.2 -0.357 38.6-120.0-114.4 42.1 69.9 -27.4 10.8 30 30 L S T 3 S- 0 0 38 1,-0.3 38,-0.2 2,-0.1 39,-0.1 0.354 71.5 -50.8 29.6 31.4 73.6 -28.7 11.0 31 31 L K T 3 S+ 0 0 63 36,-0.9 2,-1.6 37,-0.2 20,-0.5 0.261 104.3 132.8 82.8 1.4 73.6 -30.6 7.6 32 32 L S < + 0 0 22 -3,-2.7 59,-2.8 35,-0.3 60,-0.3 -0.284 27.5 123.6 -74.8 58.6 70.4 -32.4 8.8 33 33 L L E -E 90 0B 0 -2,-1.6 18,-1.1 57,-0.2 17,-0.7 -0.884 39.2-165.5-112.8 148.6 68.2 -32.1 5.6 34 34 L A E -EF 89 49B 0 55,-2.0 55,-1.7 -2,-0.3 2,-0.4 -0.918 8.3-145.0-130.0 154.5 66.7 -35.0 3.6 35 35 L W E -EF 88 48B 0 13,-2.7 12,-2.0 -2,-0.3 13,-1.0 -0.953 11.1-164.6-128.1 142.7 65.2 -35.0 0.1 36 36 L Y E -EF 87 46B 0 51,-2.4 51,-1.5 -2,-0.4 2,-0.5 -0.914 13.1-148.1-125.6 143.7 62.3 -36.9 -1.4 37 37 L Q E -EF 86 45B 13 8,-2.1 8,-2.8 -2,-0.3 2,-0.5 -0.990 13.6-168.0-109.6 129.7 61.0 -37.7 -4.8 38 38 L E E +E 85 0B 45 47,-2.6 47,-2.3 -2,-0.5 6,-0.1 -0.926 9.2 175.1-119.0 104.0 57.1 -38.0 -5.2 39 39 L K > - 0 0 55 -2,-0.5 3,-0.8 4,-0.3 2,-0.2 -0.896 40.4-103.2-105.8 135.2 56.0 -39.6 -8.5 40 40 L P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.406 107.4 28.1 -62.1 128.5 52.2 -40.2 -8.9 41 41 L G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -2,-0.2 -3,-0.0 0.674 110.3 92.9 88.9 31.2 51.3 -43.9 -8.5 42 42 L K S < S- 0 0 136 -3,-0.8 -1,-0.3 177,-0.1 -3,-0.1 -0.987 78.7-109.3-163.9 136.9 54.2 -44.5 -6.2 43 43 L T - 0 0 71 -2,-0.3 -4,-0.3 1,-0.1 2,-0.1 -0.197 58.6 -82.2 -57.4 150.0 55.2 -44.5 -2.5 44 44 L N - 0 0 11 174,-0.4 2,-0.5 -6,-0.1 -6,-0.2 -0.388 45.3-142.7 -74.0 131.7 57.5 -41.5 -1.4 45 45 L N E -F 37 0B 62 -8,-2.8 -8,-2.1 -2,-0.1 2,-0.7 -0.828 3.4-144.3-101.2 121.3 61.2 -42.1 -2.2 46 46 L L E +F 36 0B 3 -2,-0.5 -10,-0.2 169,-0.4 3,-0.1 -0.808 26.0 170.7 -82.6 113.7 64.0 -41.0 0.2 47 47 L L E + 0 0 0 -12,-2.0 8,-2.4 -2,-0.7 2,-0.3 0.892 61.1 8.2 -82.4 -57.0 66.8 -39.9 -2.2 48 48 L I E -FG 35 54B 0 -13,-1.0 -13,-2.7 6,-0.2 2,-0.4 -0.933 60.6-165.8-137.5 149.7 69.3 -38.2 0.1 49 49 L Y E > +FG 34 53B 31 4,-2.4 4,-1.1 -2,-0.3 -15,-0.2 -0.993 64.0 16.2-146.4 143.8 69.7 -37.8 3.8 50 50 L S T >4 S- 0 0 26 -17,-0.7 3,-1.8 -2,-0.4 2,-1.8 0.981 118.0 -65.7 55.2 79.6 71.8 -35.6 6.0 51 51 L G T 34 S+ 0 0 1 -18,-1.1 -1,-0.2 -20,-0.5 21,-0.1 -0.192 130.2 11.6 60.1 -76.3 72.9 -32.9 3.6 52 52 L S T 34 S+ 0 0 62 -2,-1.8 12,-0.3 14,-0.1 -1,-0.3 0.652 90.4 113.3-104.4 -20.5 75.0 -35.2 1.4 53 53 L T E << -G 49 0B 57 -3,-1.8 -4,-2.4 -4,-1.1 2,-0.4 -0.233 57.4-130.2 -76.5 141.9 74.5 -39.0 2.1 54 54 L L E -G 48 0B 62 -6,-0.2 2,-0.2 1,-0.0 -6,-0.2 -0.684 13.4-127.2 -92.0 137.3 72.9 -41.2 -0.5 55 55 L Q > - 0 0 30 -8,-2.4 3,-1.4 -2,-0.4 2,-0.1 -0.526 46.4 -91.4 -70.1 144.8 70.1 -43.5 0.4 56 56 L S T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -2,-0.2 -8,-0.0 -0.413 106.6 24.1 -65.4 133.5 71.0 -46.9 -0.8 57 57 L G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -2,-0.1 -10,-0.0 0.176 87.3 127.8 104.5 -8.5 69.9 -47.9 -4.3 58 58 L I < - 0 0 22 -3,-1.4 -1,-0.3 -11,-0.2 2,-0.2 -0.510 66.5 -99.9 -89.8 144.5 69.6 -44.4 -5.9 59 59 L P > - 0 0 62 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.421 30.6-125.2 -68.3 129.0 71.3 -43.3 -9.1 60 60 L S T 3 S+ 0 0 105 1,-0.3 -2,-0.1 -2,-0.2 -6,-0.0 0.558 99.8 83.9 -38.2 -24.6 74.4 -41.3 -8.5 61 61 L R T 3 S+ 0 0 49 16,-0.1 15,-1.4 14,-0.1 2,-0.5 0.669 73.1 92.2 -66.0 -10.8 73.1 -38.4 -10.6 62 62 L F E < +C 75 0A 6 -3,-2.2 2,-0.4 13,-0.2 13,-0.2 -0.714 59.6 172.0 -86.2 123.2 71.3 -37.4 -7.4 63 63 L S E -C 74 0A 55 11,-2.7 11,-2.1 -2,-0.5 2,-0.4 -0.965 19.4-166.8-146.0 135.8 73.3 -34.9 -5.3 64 64 L G E +C 73 0A 14 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.948 7.2 174.7-126.6 142.2 73.0 -32.7 -2.2 65 65 L S E +C 72 0A 59 7,-1.1 7,-2.3 -2,-0.4 2,-0.2 -0.900 26.9 94.0-132.8 153.4 75.1 -30.0 -0.9 66 66 L G E -C 71 0A 25 5,-0.3 5,-0.2 -2,-0.3 -33,-0.1 -0.562 35.3-155.7 135.5 162.3 74.6 -27.5 2.1 67 67 L S S S- 0 0 90 3,-1.1 -36,-0.9 -2,-0.2 -35,-0.3 0.651 74.7 -8.4-138.7 -52.3 75.5 -27.1 5.7 68 68 L G S S- 0 0 14 2,-0.4 -39,-2.3 -38,-0.2 -37,-0.2 0.738 129.0 -5.0-121.6 -59.7 73.2 -24.8 7.9 69 69 L T S S+ 0 0 69 1,-0.2 -44,-1.8 -41,-0.2 2,-0.4 0.772 119.7 53.0-111.8 -45.3 70.6 -22.8 6.0 70 70 L D E +B 24 0A 94 -46,-0.2 -3,-1.1 -48,-0.1 -2,-0.4 -0.882 58.0 161.5-105.5 137.3 71.1 -23.3 2.2 71 71 L F E -BC 23 66A 1 -48,-1.6 -48,-2.3 -2,-0.4 2,-0.3 -0.921 17.8-154.6-141.2 157.5 71.2 -26.9 0.7 72 72 L T E -BC 22 65A 15 -7,-2.3 -7,-1.1 -2,-0.3 2,-0.5 -0.924 14.1-144.8-141.0 158.7 70.6 -28.0 -2.9 73 73 L L E -BC 21 64A 0 -52,-2.0 -52,-3.0 -2,-0.3 2,-0.4 -0.976 18.8-166.4-125.4 128.1 69.6 -31.0 -4.9 74 74 L T E -BC 20 63A 41 -11,-2.1 -11,-2.7 -2,-0.5 2,-0.5 -0.984 5.9-176.1-112.8 128.3 71.4 -31.4 -8.1 75 75 L I E -BC 19 62A 0 -56,-1.5 -56,-2.3 -2,-0.4 3,-0.2 -0.968 6.3-173.3-126.6 110.5 69.9 -33.8 -10.6 76 76 L S + 0 0 43 -15,-1.4 3,-0.2 -2,-0.5 -59,-0.2 -0.241 60.6 30.4 -87.1-166.8 72.0 -34.2 -13.8 77 77 L S S S- 0 0 60 -61,-0.5 -1,-0.2 1,-0.2 -59,-0.2 0.695 81.1-137.5 9.5 79.4 70.9 -36.3 -16.8 78 78 L L - 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0 0 7 1,-0.1 3,-1.3 -9,-0.1 -2,-0.3 -0.881 55.5-168.0-115.0 112.0 73.5 -62.4 33.8 296 70 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 0.639 84.0 60.5 -67.7 -17.0 72.6 -66.0 32.6 297 71 A G T 3 S+ 0 0 31 -11,-0.1 -10,-0.1 2,-0.0 -2,-0.0 0.371 77.5 143.4 -92.1 9.0 71.3 -64.8 29.2 298 72 A S < + 0 0 35 -3,-1.3 -10,-0.2 1,-0.2 -11,-0.1 -0.076 31.7 172.0 -59.4 144.1 74.6 -63.2 28.0 299 73 A K - 0 0 110 -11,-0.5 -11,-0.2 -12,-0.5 -1,-0.2 0.419 33.5-150.4-113.8 -19.3 75.9 -63.3 24.5 300 74 A N > + 0 0 36 -10,-0.3 3,-0.8 -12,-0.3 -11,-0.3 0.912 22.5 179.6 43.8 60.5 78.8 -60.8 25.5 301 75 A L T 3 S+ 0 0 79 -13,-2.3 -12,-0.2 1,-0.3 -11,-0.2 0.669 73.9 47.9 -74.0 -21.3 78.9 -59.4 22.1 302 76 A f T 3 S- 0 0 18 -13,-3.0 -1,-0.3 2,-0.1 -12,-0.2 0.686 108.0-133.1 -88.0 -10.6 81.6 -56.8 22.4 303 77 A H < + 0 0 133 -14,-0.8 -2,-0.1 -3,-0.8 -13,-0.1 0.999 60.8 117.5 57.6 75.3 83.4 -59.8 24.0 304 78 A I S S- 0 0 37 -15,-0.2 -13,-1.3 -13,-0.0 2,-0.6 -0.947 74.3 -94.3-155.6 161.6 84.8 -58.0 27.1 305 79 A P B >> -x 291 0G 73 0, 0.0 3,-3.1 0, 0.0 4,-0.7 -0.813 35.0-129.9 -77.1 120.5 84.4 -58.2 30.9 306 80 A e G >4 S+ 0 0 1 -15,-2.4 3,-1.0 -2,-0.6 -14,-0.2 0.801 107.6 71.0 -39.8 -31.7 81.7 -55.7 31.8 307 81 A S G >4 S+ 0 0 88 1,-0.3 3,-0.7 -16,-0.2 -1,-0.3 0.657 89.4 60.2 -52.6 -25.9 84.3 -54.5 34.5 308 82 A A G X4 S+ 0 0 35 -3,-3.1 3,-1.6 1,-0.2 -1,-0.3 0.846 92.7 67.2 -70.9 -38.0 86.5 -53.1 31.6 309 83 A L G << S+ 0 0 0 -3,-1.0 -28,-0.3 -4,-0.7 -27,-0.3 0.478 94.8 57.8 -63.1 -3.8 83.5 -50.9 30.7 310 84 A L G < S+ 0 0 62 -3,-0.7 -1,-0.3 -30,-0.1 -2,-0.1 -0.109 75.9 128.4-112.2 15.1 84.0 -49.0 34.0 311 85 A S S < S- 0 0 55 -3,-1.6 6,-0.1 2,-0.2 -3,-0.1 -0.383 70.9-118.5 -70.5 161.5 87.6 -47.9 33.4 312 86 A S S S+ 0 0 70 1,-0.1 2,-0.6 -45,-0.1 -1,-0.1 0.744 103.5 72.0 -67.5 -16.5 88.5 -44.1 33.8 313 87 A D S > S- 0 0 94 1,-0.1 3,-0.6 -47,-0.1 4,-0.3 -0.879 78.8-146.8-105.2 113.8 89.5 -44.3 30.3 314 88 A I T 3> + 0 0 4 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.447 65.9 109.1 -60.1 1.5 86.6 -44.6 27.6 315 89 A T H 3> S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.826 83.4 36.5 -51.3 -47.2 88.4 -46.8 25.1 316 90 A A H <> S+ 0 0 29 -3,-0.6 4,-2.3 2,-0.2 5,-0.3 0.870 113.4 57.2 -74.2 -36.5 86.4 -50.0 25.6 317 91 A S H > S+ 0 0 3 -4,-0.3 4,-3.5 -3,-0.2 5,-0.2 0.986 112.3 44.3 -61.2 -48.8 83.2 -48.2 26.1 318 92 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.944 111.9 48.6 -66.5 -43.5 83.7 -46.7 22.7 319 93 A N H X S+ 0 0 77 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.873 119.1 42.1 -70.2 -24.3 84.8 -49.8 20.8 320 94 A f H >X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 3,-1.9 0.954 108.6 56.7 -80.1 -53.1 81.9 -51.6 22.2 321 95 A A H 3X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.3 -2,-0.2 0.780 106.6 55.5 -45.3 -31.9 79.5 -48.6 21.7 322 96 A K H 3X S+ 0 0 33 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.3 0.804 102.0 51.9 -71.2 -37.7 80.6 -49.0 18.1 323 97 A K H << S+ 0 0 89 -3,-1.9 3,-0.5 -4,-0.7 4,-0.4 0.935 113.3 50.6 -59.4 -41.9 79.6 -52.7 18.1 324 98 A I H >< S+ 0 0 7 -4,-2.3 3,-3.0 1,-0.2 6,-0.3 0.988 107.8 45.1 -62.1 -64.6 76.2 -51.5 19.3 325 99 A V H 3< S+ 0 0 5 -4,-2.3 4,-0.2 1,-0.3 -1,-0.2 0.596 106.0 62.5 -59.8 -9.6 75.3 -48.6 16.9 326 100 A S T 3< S+ 0 0 32 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.3 0.615 87.5 87.8 -92.5 -9.0 76.2 -50.7 13.9 327 101 A D S X S- 0 0 95 -3,-3.0 3,-1.7 -4,-0.4 2,-0.3 -0.795 103.0 -87.6 -98.7 123.2 73.5 -53.3 14.8 328 102 A G T 3 S+ 0 0 58 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.001 119.1 61.9 -34.0 84.4 70.0 -52.5 13.3 329 103 A D T > S- 0 0 40 -2,-0.3 3,-1.2 -4,-0.2 -1,-0.3 -0.024 82.2-163.1-177.6 -38.7 68.6 -50.4 15.9 330 104 A G G X - 0 0 4 -3,-1.7 3,-1.3 -6,-0.3 -3,-0.1 -0.344 64.8 -20.0 76.5-148.8 71.2 -47.5 15.7 331 105 A M G > S+ 0 0 0 -121,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.544 120.1 86.8 -74.2 1.2 71.4 -45.0 18.6 332 106 A N G < + 0 0 0 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.611 68.2 78.4 -74.8 -16.0 67.8 -46.1 19.7 333 107 A A G < S+ 0 0 43 -3,-1.3 2,-0.5 1,-0.1 -1,-0.3 0.384 83.1 76.3 -69.2 0.7 69.5 -48.8 21.7 334 108 A W S X> S- 0 0 3 -3,-1.5 4,-1.8 1,-0.2 3,-1.4 -0.939 70.6-162.5-115.8 110.0 70.2 -45.9 24.2 335 109 A V H 3> S+ 0 0 72 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.890 89.4 50.5 -54.7 -47.6 67.0 -45.1 26.1 336 110 A A H 3> S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.609 108.5 54.0 -68.9 -18.8 68.2 -41.7 27.2 337 111 A W H <>>S+ 0 0 8 -3,-1.4 5,-3.7 -6,-0.2 4,-2.0 0.835 110.1 44.2 -84.9 -43.8 69.2 -40.8 23.7 338 112 A R H <5S+ 0 0 30 -4,-1.8 -2,-0.2 3,-0.2 -3,-0.1 0.868 123.5 37.6 -76.0 -31.4 65.8 -41.5 22.2 339 113 A K H <5S+ 0 0 85 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.826 133.5 21.9 -82.2 -41.4 64.1 -39.8 25.0 340 114 A H H <5S+ 0 0 98 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.608 133.4 26.0-102.8 -18.5 66.5 -36.9 25.6 341 115 A d T ><5S+ 0 0 1 -4,-2.0 3,-2.1 -5,-0.1 -3,-0.2 0.770 87.1 98.2-116.2 -40.3 68.5 -36.4 22.4 342 116 A K T 3 - 0 0 28 -2,-0.3 3,-1.6 1,-0.2 4,-0.1 -0.590 38.2-171.0 -79.4 100.4 69.9 -30.0 18.4 346 120 A V G > S+ 0 0 9 -2,-1.4 3,-1.7 -254,-0.3 -1,-0.2 0.639 72.5 81.9 -70.4 -8.7 72.7 -32.1 19.7 347 121 A N G >> S+ 0 0 46 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.761 73.8 78.2 -65.7 -23.2 75.4 -29.6 18.6 348 122 A V G <4 S+ 0 0 79 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.682 85.9 63.6 -57.1 -21.2 74.6 -27.7 21.8 349 123 A W G <4 S+ 0 0 42 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.555 106.8 36.0 -79.6 -12.6 76.8 -30.3 23.5 350 124 A I T X4 S+ 0 0 28 -3,-1.8 3,-1.4 -4,-0.2 -1,-0.2 0.445 84.3 120.9-122.2 2.2 80.1 -29.5 21.8 351 125 A R T 3< S+ 0 0 135 -4,-0.7 3,-0.1 1,-0.3 -119,-0.1 -0.368 76.2 24.6 -69.2 138.7 79.9 -25.8 21.5 352 126 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 -120,-0.0 2,-0.1 0.012 98.7 111.4 99.5 -29.4 82.6 -23.9 23.2 353 127 A c < - 0 0 19 -3,-1.4 2,-0.6 1,-0.0 -1,-0.4 -0.425 64.9-141.9 -67.8 146.3 84.8 -26.9 23.0 354 128 A R 0 0 258 1,-0.1 -118,-0.1 -3,-0.1 -3,-0.0 -0.980 360.0 360.0-105.5 120.6 87.8 -26.6 20.6 355 129 A L 0 0 99 -2,-0.6 -1,-0.1 -120,-0.0 -116,-0.0 0.723 360.0 360.0-122.8 360.0 87.9 -30.0 19.1