==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ANTIBODY/ANTIGEN) 19-JAN-95 1FBI . COMPND 2 MOLECULE: IGG1 F9.13.7 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.LESCAR,P.M.ALZARI . 1128 6 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 759 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 328 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 9 0.8 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 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 . 152 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 2 1 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 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 0 PARALLEL BRIDGES PER LADDER . 23 18 7 7 7 12 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 4 4 4 1 1 1 0 0 0 0 1 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 L D 0 0 107 0, 0.0 2,-0.5 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0-168.2 7.3 41.5 17.0 2 2 L I - 0 0 12 93,-0.5 2,-0.6 91,-0.1 88,-0.1 -0.753 360.0-133.1 -80.6 123.0 3.6 41.1 18.1 3 3 L Q - 0 0 121 -2,-0.5 23,-1.0 2,-0.0 2,-0.8 -0.706 16.8-163.7 -80.9 115.7 3.0 37.4 18.9 4 4 L M E -A 25 0A 14 -2,-0.6 2,-0.4 94,-0.3 96,-0.4 -0.881 15.5-170.0-100.5 107.3 -0.2 36.1 17.3 5 5 L T E -A 24 0A 67 19,-2.0 19,-2.6 -2,-0.8 2,-0.5 -0.845 21.5-176.6-105.6 136.7 -1.0 32.8 19.1 6 6 L Q - 0 0 19 -2,-0.4 17,-0.1 17,-0.2 94,-0.1 -0.986 13.9-159.9-124.8 111.0 -3.7 30.2 18.1 7 7 L T S S+ 0 0 124 -2,-0.5 2,-0.7 1,-0.2 -1,-0.1 0.718 72.9 61.3 -65.4 -26.9 -3.6 27.5 20.8 8 8 L T - 0 0 59 1,-0.1 -1,-0.2 14,-0.1 14,-0.1 -0.886 57.5-173.3-111.6 110.7 -5.3 24.7 18.9 9 9 L S S S+ 0 0 94 -2,-0.7 94,-2.6 93,-0.2 2,-0.3 0.664 76.4 22.5 -71.3 -25.5 -3.5 23.5 15.7 10 10 L S E -d 103 0B 56 92,-0.2 2,-0.4 75,-0.0 94,-0.2 -0.985 67.1-175.4-142.4 144.5 -6.3 21.2 14.5 11 11 L L E -d 104 0B 54 92,-2.7 94,-1.8 -2,-0.3 2,-0.3 -0.996 6.5-160.2-142.9 142.7 -10.0 21.3 15.3 12 12 L S E +d 105 0B 43 -2,-0.4 2,-0.3 92,-0.2 94,-0.2 -0.922 23.4 135.8-129.8 152.9 -12.7 18.9 14.3 13 13 L A E -d 106 0B 19 92,-1.4 94,-1.4 -2,-0.3 2,-0.3 -0.925 48.6 -84.9-172.0 179.1 -16.5 18.9 14.1 14 14 L S > - 0 0 63 -2,-0.3 3,-2.6 92,-0.2 2,-2.1 -0.773 47.0 -88.1-110.1 152.9 -19.1 17.8 11.7 15 15 L L T 3 S+ 0 0 95 -2,-0.3 64,-0.1 1,-0.3 65,-0.1 -0.247 119.9 32.4 -53.1 77.0 -20.6 19.5 8.6 16 16 L G T 3 S+ 0 0 47 -2,-2.1 -1,-0.3 1,-0.4 2,-0.2 0.285 93.8 102.6 152.9 -3.6 -23.4 21.4 10.2 17 17 L D S < S- 0 0 44 -3,-2.6 61,-2.5 60,-0.1 -1,-0.4 -0.619 75.8-105.0 -98.8 161.9 -22.0 22.3 13.6 18 18 L R - 0 0 68 -2,-0.2 2,-0.4 59,-0.2 58,-0.2 -0.731 33.5-159.1 -89.0 136.3 -20.7 25.7 14.6 19 19 L V E - B 0 75A 3 56,-2.6 56,-1.7 -2,-0.4 2,-0.5 -0.948 5.0-160.7-118.2 140.4 -16.9 26.1 14.9 20 20 L T E - B 0 74A 78 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.884 3.9-164.8-125.2 102.1 -15.0 28.7 16.8 21 21 L I E - B 0 73A 2 52,-2.3 52,-2.3 -2,-0.5 2,-0.1 -0.721 14.7-147.0 -87.1 125.2 -11.3 29.4 16.0 22 22 L S E + B 0 72A 55 -2,-0.5 2,-0.2 50,-0.2 50,-0.2 -0.426 18.6 177.9 -89.2 165.1 -9.4 31.5 18.6 23 23 L a E - B 0 71A 2 48,-1.3 48,-1.7 -2,-0.1 2,-0.5 -0.808 4.6-172.3-167.4 119.4 -6.6 34.0 18.2 24 24 L R E -AB 5 70A 122 -19,-2.6 -19,-2.0 -2,-0.2 46,-0.2 -0.951 8.3-156.0-127.6 117.9 -4.9 36.0 21.0 25 25 L A E -A 4 0A 0 44,-1.8 -21,-0.2 -2,-0.5 4,-0.1 -0.485 23.6-121.1 -89.3 157.7 -2.3 38.7 20.4 26 26 L S S S+ 0 0 59 -23,-1.0 2,-0.3 -2,-0.2 -1,-0.1 0.820 91.3 21.1 -64.6 -40.6 0.3 40.0 22.8 27 27 L Q S S- 0 0 92 41,-0.1 2,-0.2 -24,-0.1 41,-0.1 -0.892 100.2 -78.2-130.7 160.8 -0.8 43.6 23.1 28 28 L D - 0 0 96 -2,-0.3 41,-0.2 1,-0.2 -2,-0.1 -0.431 42.1-179.8 -57.5 115.9 -4.0 45.5 22.5 29 29 L I > - 0 0 0 39,-1.5 3,-2.5 -2,-0.2 62,-0.3 -0.050 41.2-124.4-107.8 23.0 -4.0 45.8 18.6 30 30 L S T 3 - 0 0 41 1,-0.3 39,-0.1 38,-0.1 -2,-0.1 0.787 66.6 -46.0 29.3 73.0 -7.3 47.7 18.9 31 31 L N T 3 S+ 0 0 52 1,-0.2 2,-1.5 37,-0.1 -1,-0.3 0.587 98.3 133.7 56.9 13.1 -9.6 45.6 16.7 32 32 L Y < + 0 0 23 -3,-2.5 59,-2.3 18,-0.2 60,-0.6 -0.491 33.0 131.8 -91.6 70.7 -7.0 45.5 13.9 33 33 L L E -E 90 0B 0 -2,-1.5 18,-3.2 57,-0.2 2,-0.3 -0.974 34.0-172.2-126.2 130.7 -7.5 41.7 13.4 34 34 L N E -E 89 0B 0 55,-2.8 55,-2.2 -2,-0.4 2,-0.5 -0.917 11.6-146.2-122.7 150.5 -8.0 40.0 10.1 35 35 L W E -EF 88 48B 0 13,-2.0 12,-2.2 -2,-0.3 13,-1.2 -0.965 13.6-171.1-119.1 129.8 -8.9 36.3 9.3 36 36 L Y E -EF 87 46B 0 51,-2.4 51,-2.8 -2,-0.5 2,-0.5 -0.944 12.6-146.4-120.6 143.0 -7.6 34.4 6.3 37 37 L Q E -EF 86 45B 5 8,-2.2 8,-1.9 -2,-0.4 2,-0.6 -0.915 7.9-165.3-108.5 125.5 -8.6 31.0 5.0 38 38 L K E -EF 85 44B 42 47,-2.8 47,-2.5 -2,-0.5 6,-0.2 -0.944 13.4-155.8-111.9 110.0 -6.0 28.8 3.3 39 39 L K > - 0 0 44 4,-1.4 3,-2.7 -2,-0.6 45,-0.2 -0.535 32.3-108.9 -82.7 156.7 -7.7 26.0 1.4 40 40 L P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.716 117.1 75.3 -54.8 -19.3 -5.9 22.7 0.6 41 41 L D T 3 S- 0 0 122 2,-0.1 3,-0.1 1,-0.1 43,-0.0 0.832 110.4-120.2 -60.9 -36.1 -5.9 24.1 -2.9 42 42 L G S < S+ 0 0 20 -3,-2.7 -1,-0.1 1,-0.5 0, 0.0 -0.129 73.8 119.1 120.3 -34.5 -3.1 26.6 -2.0 43 43 L T - 0 0 40 -5,-0.1 -4,-1.4 1,-0.0 -1,-0.5 -0.221 53.4-142.8 -60.9 152.1 -5.0 29.8 -2.6 44 44 L V E -F 38 0B 6 284,-0.5 283,-0.5 -6,-0.2 2,-0.4 -0.947 16.0-168.4-119.6 140.6 -5.5 32.3 0.3 45 45 L K E -F 37 0B 91 -8,-1.9 -8,-2.2 -2,-0.4 2,-0.3 -0.993 22.1-123.8-136.4 135.9 -8.7 34.4 0.7 46 46 L L E +F 36 0B 8 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.548 31.8 167.7 -75.2 129.5 -9.7 37.3 3.0 47 47 L L E + 0 0 2 -12,-2.2 8,-2.5 1,-0.4 2,-0.3 0.761 62.7 8.9-109.4 -42.2 -12.7 36.6 5.1 48 48 L I E -FG 35 54B 0 -13,-1.2 -13,-2.0 6,-0.3 -1,-0.4 -0.998 57.7-166.0-147.0 138.4 -12.9 39.3 7.6 49 49 L Y E >> S+ G 0 53B 31 4,-2.6 4,-1.8 -2,-0.3 3,-0.5 -0.914 71.1 18.4-124.4 149.4 -11.1 42.6 8.2 50 50 L Y T 34 S- 0 0 62 -2,-0.3 2,-1.8 271,-0.3 -1,-0.2 0.914 124.8 -64.6 59.0 51.4 -11.1 44.8 11.3 51 51 L T T 34 S+ 0 0 2 -18,-3.2 -1,-0.2 1,-0.2 21,-0.2 -0.199 128.5 11.1 74.5 -47.4 -12.3 42.2 13.7 52 52 L S T <4 S+ 0 0 68 -2,-1.8 2,-0.7 -3,-0.5 12,-0.4 0.403 84.4 119.0-143.9 2.5 -15.8 41.6 12.3 53 53 L R E < -G 49 0B 98 -4,-1.8 -4,-2.6 -3,-0.2 2,-0.3 -0.632 61.4-131.9 -79.6 117.9 -16.2 43.2 9.0 54 54 L L E -G 48 0B 67 -2,-0.7 -6,-0.3 -6,-0.2 3,-0.1 -0.517 22.5-121.9 -66.7 125.3 -17.0 40.5 6.5 55 55 L H > - 0 0 46 -8,-2.5 3,-1.7 -2,-0.3 2,-0.1 -0.383 45.9 -83.9 -61.3 152.5 -14.8 41.0 3.4 56 56 L S T 3 S+ 0 0 102 1,-0.2 -1,-0.1 -3,-0.0 -10,-0.1 -0.417 116.5 27.5 -64.0 129.8 -17.0 41.5 0.4 57 57 L G T 3 S+ 0 0 74 1,-0.4 -1,-0.2 -2,-0.1 -10,-0.1 0.014 85.4 124.5 110.4 -25.9 -18.0 38.1 -1.0 58 58 L V < - 0 0 23 -3,-1.7 -1,-0.4 -11,-0.2 2,-0.2 -0.407 67.8-107.3 -73.3 145.6 -17.8 36.0 2.2 59 59 L P > - 0 0 58 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.542 28.0-117.0 -68.6 134.2 -21.0 34.0 3.2 60 60 L S T 3 S+ 0 0 109 1,-0.3 -2,-0.1 -2,-0.2 16,-0.0 0.588 104.6 86.2 -51.7 -10.3 -22.7 35.5 6.2 61 61 L R T 3 S+ 0 0 41 14,-0.1 15,-1.1 16,-0.1 -1,-0.3 0.897 72.2 78.9 -58.3 -45.6 -21.9 32.2 7.9 62 62 L F < - 0 0 6 -3,-2.1 2,-0.4 13,-0.2 13,-0.2 -0.469 65.8-173.8 -68.1 137.0 -18.5 33.5 8.9 63 63 L S - 0 0 65 11,-0.5 11,-2.5 -2,-0.2 2,-0.3 -0.996 8.5-156.1-135.4 137.1 -18.7 35.8 12.0 64 64 L G E +C 73 0A 10 -12,-0.4 2,-0.3 -2,-0.4 9,-0.2 -0.871 21.8 152.0-114.9 150.8 -15.9 37.8 13.6 65 65 L S E +C 72 0A 66 7,-1.3 7,-1.5 -2,-0.3 2,-0.2 -0.961 16.2 84.3-163.0 177.1 -15.6 39.1 17.1 66 66 L G E -C 71 0A 21 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.557 37.6-151.6 110.5-178.7 -13.3 40.1 19.9 67 67 L S + 0 0 80 3,-2.0 2,-0.5 -2,-0.2 3,-0.2 -0.389 63.7 20.5 165.9 110.6 -11.5 43.3 20.8 68 68 L G S S- 0 0 14 1,-0.2 -39,-1.5 -2,-0.1 -37,-0.1 -0.924 127.3 -23.6 128.8-110.5 -8.3 43.8 22.8 69 69 L T S S+ 0 0 42 -2,-0.5 -44,-1.8 -41,-0.2 2,-0.4 0.549 124.5 70.9-110.7 -19.7 -6.0 40.8 23.0 70 70 L D E +B 24 0A 93 -46,-0.2 -3,-2.0 -3,-0.2 2,-0.2 -0.850 55.6 151.3-105.2 137.4 -8.7 38.2 22.4 71 71 L Y E -BC 23 66A 6 -48,-1.7 -48,-1.3 -2,-0.4 -5,-0.2 -0.847 15.2-171.3-148.2 177.4 -10.4 37.5 19.1 72 72 L S E -BC 22 65A 26 -7,-1.5 -7,-1.3 -2,-0.2 2,-0.4 -0.872 22.0-136.0-179.3 142.2 -12.1 34.7 17.2 73 73 L L E -BC 21 64A 0 -52,-2.3 -52,-2.3 -2,-0.2 2,-0.4 -0.864 25.5-165.3 -99.0 138.1 -13.6 33.5 13.9 74 74 L T E -B 20 0A 41 -11,-2.5 -11,-0.5 -2,-0.4 2,-0.4 -0.854 7.1-158.6-133.9 102.3 -16.9 31.5 14.3 75 75 L I E -B 19 0A 0 -56,-1.7 -56,-2.6 -2,-0.4 3,-0.4 -0.654 5.7-158.9 -80.9 126.6 -18.3 29.5 11.4 76 76 L R S S+ 0 0 42 -15,-1.1 2,-0.6 -2,-0.4 -1,-0.1 0.972 79.0 15.3 -69.4 -61.2 -22.1 28.9 11.9 77 77 L N S S- 0 0 87 -59,-0.1 -1,-0.2 -62,-0.0 -59,-0.2 -0.785 85.5-136.5-121.4 88.4 -22.9 25.8 9.8 78 78 L L + 0 0 2 -61,-2.5 2,-0.2 -2,-0.6 3,-0.1 -0.027 36.3 170.7 -43.4 137.4 -19.6 24.1 8.8 79 79 L E - 0 0 88 -64,-0.1 4,-0.4 1,-0.1 -63,-0.1 -0.611 40.5 -64.8-136.8-163.0 -19.6 23.1 5.2 80 80 L Q S > S+ 0 0 72 1,-0.2 3,-2.0 -2,-0.2 -1,-0.1 0.969 122.9 30.1 -53.5 -85.8 -17.7 21.7 2.2 81 81 L E T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.612 101.3 85.2 -54.8 -14.7 -15.0 24.3 1.4 82 82 L D T 3 + 0 0 1 1,-0.1 2,-1.4 -43,-0.1 -1,-0.3 0.701 63.2 97.5 -61.9 -20.5 -14.8 25.4 5.0 83 83 L I < + 0 0 37 -3,-2.0 2,-0.2 -4,-0.4 -1,-0.1 -0.593 61.4 93.8 -75.8 95.0 -12.4 22.5 5.6 84 84 L A S S- 0 0 2 -2,-1.4 20,-2.3 -45,-0.2 2,-0.4 -0.754 81.2 -73.8-156.9-164.0 -9.1 24.4 5.4 85 85 L T E -EH 38 103B 29 -47,-2.5 -47,-2.8 -2,-0.2 2,-0.5 -0.895 39.9-142.6-111.0 144.3 -6.7 26.1 7.8 86 86 L Y E -E 37 0B 0 16,-2.5 2,-0.3 -2,-0.4 -49,-0.2 -0.932 15.3-173.0-114.5 123.0 -7.5 29.5 9.4 87 87 L F E -E 36 0B 4 -51,-2.8 -51,-2.4 -2,-0.5 2,-0.4 -0.748 8.2-157.4-108.7 152.4 -5.0 32.3 10.1 88 88 L a E -E 35 0B 0 -2,-0.3 11,-3.4 -53,-0.2 2,-0.3 -0.944 12.7-172.0-125.8 147.3 -5.5 35.6 12.0 89 89 L Q E -EI 34 98B 0 -55,-2.2 -55,-2.8 -2,-0.4 2,-0.3 -0.947 17.5-128.4-138.0 156.6 -3.2 38.6 11.5 90 90 L Q E -E 33 0B 0 7,-1.5 7,-0.3 -2,-0.3 -57,-0.2 -0.757 11.5-170.2-105.7 150.1 -2.9 41.9 13.2 91 91 L G + 0 0 2 -59,-2.3 -58,-0.1 -2,-0.3 231,-0.1 0.575 62.4 99.3-110.5 -16.0 -2.9 45.3 11.5 92 92 L Y S S- 0 0 31 -60,-0.6 2,-0.3 -63,-0.2 -1,-0.1 0.591 91.3 -25.8 -50.1 -20.3 -1.8 47.4 14.4 93 93 L T S S- 0 0 26 4,-0.1 4,-0.1 2,-0.1 -91,-0.1 -0.964 78.4 -34.8 177.9 169.2 1.9 47.7 13.3 94 94 L L S S+ 0 0 23 416,-0.6 2,-0.1 -2,-0.3 -3,-0.0 -0.642 103.5 38.2 -90.7 141.1 5.0 46.6 11.5 95 95 L P S S- 0 0 25 0, 0.0 -93,-0.5 0, 0.0 2,-0.1 0.585 88.0-136.7 -82.2 151.0 6.1 43.9 11.1 96 96 L Y - 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0 0 30 -3,-0.5 -10,-0.2 1,-0.2 -1,-0.2 -0.618 18.3-175.3 -80.1 106.6 61.9 131.4 21.4 1077 73 Y R - 0 0 0 -12,-2.7 -416,-0.6 -2,-0.8 -11,-0.2 0.754 19.5-160.6 -68.3 -21.1 59.1 133.6 19.8 1078 74 Y N > + 0 0 26 -10,-0.4 3,-1.3 1,-0.1 -11,-0.3 0.857 22.7 167.5 39.6 54.4 56.7 131.5 21.9 1079 75 Y L T 3 S+ 0 0 6 -13,-3.5 -12,-0.2 1,-0.3 -1,-0.1 0.588 71.2 56.9 -70.7 -13.7 53.7 132.6 19.6 1080 76 Y p T 3 S- 0 0 3 -13,-1.1 -1,-0.3 -14,-0.2 -13,-0.1 0.566 99.2-138.2 -93.8 -10.3 51.5 129.9 21.2 1081 77 Y N < + 0 0 71 -3,-1.3 -2,-0.1 -14,-0.2 -13,-0.1 0.968 62.4 106.8 47.3 76.6 52.0 131.3 24.7 1082 78 Y I S S- 0 0 30 -15,-0.3 -13,-1.3 16,-0.0 2,-0.3 -0.891 72.1-108.1-176.7 141.7 52.4 127.9 26.4 1083 79 Y P B >> -f 1069 0h 69 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.694 33.7-120.0 -80.3 141.1 55.3 125.8 27.9 1084 80 Y o H >> S+ 0 0 1 -15,-2.1 3,-2.2 -2,-0.3 4,-0.8 0.846 109.5 66.8 -46.7 -44.2 56.3 122.8 25.8 1085 81 Y S H >4 S+ 0 0 79 -16,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.864 92.8 62.1 -48.1 -36.8 55.5 120.4 28.6 1086 82 Y A H <4 S+ 0 0 25 -3,-1.9 9,-0.4 1,-0.3 -1,-0.3 0.843 99.1 55.1 -61.5 -31.1 51.9 121.4 28.2 1087 83 Y L H << S+ 0 0 0 -3,-2.2 2,-0.6 -4,-0.6 -28,-0.4 0.672 101.8 62.3 -74.8 -16.9 52.1 120.0 24.6 1088 84 Y Q S << S+ 0 0 58 -3,-1.6 2,-0.3 -4,-0.8 -1,-0.2 -0.649 88.4 78.5-111.9 74.4 53.2 116.6 26.0 1089 85 Y S S S- 0 0 49 -2,-0.6 6,-0.1 -3,-0.3 -3,-0.0 -0.944 86.6 -85.3-160.4 177.6 50.4 115.3 28.1 1090 86 Y S S S+ 0 0 66 -2,-0.3 -1,-0.2 1,-0.1 -83,-0.0 0.979 95.9 78.4 -54.5 -80.9 47.0 113.7 28.0 1091 87 Y D S > S- 0 0 103 1,-0.2 3,-0.8 -3,-0.1 4,-0.3 -0.047 70.4-146.8 -42.3 107.3 44.5 116.5 27.5 1092 88 Y I T 3> S+ 0 0 7 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.512 74.7 97.9 -54.5 -10.5 44.6 117.5 23.8 1093 89 Y T H 3> S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.897 80.2 43.1 -47.7 -62.8 43.8 121.2 24.8 1094 90 Y A H <> S+ 0 0 14 -3,-0.8 4,-1.9 -8,-0.3 -1,-0.2 0.951 121.3 39.4 -53.9 -55.0 47.3 122.8 24.7 1095 91 Y T H > S+ 0 0 3 -9,-0.4 4,-1.0 -4,-0.3 -1,-0.2 0.886 113.1 57.3 -64.5 -40.6 48.5 121.1 21.5 1096 92 Y A H >X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 3,-0.6 0.955 112.3 36.7 -55.7 -59.3 45.1 121.4 19.7 1097 93 Y N H >X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 3,-0.9 0.948 113.0 56.1 -62.8 -50.8 44.8 125.2 20.0 1098 94 Y p H 3X S+ 0 0 6 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.741 100.6 63.0 -56.7 -18.0 48.4 126.0 19.5 1099 95 Y A H XX S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.6 3,-1.6 0.945 93.4 62.0 -70.7 -44.1 48.1 124.0 16.2 1100 96 Y K H << S+ 0 0 0 -4,-1.1 4,-0.3 -3,-0.9 -2,-0.2 0.869 98.3 54.7 -48.2 -45.9 45.6 126.5 14.9 1101 97 Y K H 3< S+ 0 0 8 -4,-1.0 -1,-0.3 1,-0.2 -215,-0.3 0.791 108.9 49.9 -62.4 -25.8 48.1 129.4 15.0 1102 98 Y I H X< S+ 0 0 14 -3,-1.6 3,-1.4 -4,-0.6 -1,-0.2 0.877 110.2 48.5 -77.8 -39.0 50.4 127.2 12.9 1103 99 Y V T 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.368 108.3 57.3 -81.7 2.2 47.6 126.5 10.4 1104 100 Y S T 3 S+ 0 0 3 -4,-0.3 -218,-2.3 -5,-0.3 -1,-0.3 0.109 92.0 91.0-114.4 13.5 46.9 130.3 10.4 1105 101 Y D S < S- 0 0 35 -3,-1.4 3,-0.3 -220,-0.3 -3,-0.1 -0.083 92.5 -88.1 -90.5-161.1 50.5 131.0 9.3 1106 102 Y G S S+ 0 0 53 1,-0.2 3,-0.1 -221,-0.1 2,-0.0 0.983 110.2 55.8 -78.9 -63.6 51.6 131.3 5.7 1107 103 Y N S > S- 0 0 124 1,-0.2 3,-0.8 2,-0.1 4,-0.2 0.266 97.3-133.0 -57.3 6.7 52.7 128.0 4.1 1108 104 Y G G > - 0 0 17 -3,-0.3 3,-1.4 1,-0.2 -1,-0.2 -0.154 58.2 -34.8 67.6-165.1 49.3 126.4 4.9 1109 105 Y M G > S+ 0 0 0 1,-0.3 3,-1.7 -6,-0.1 -1,-0.2 0.553 122.1 89.2 -67.4 -5.1 49.0 122.9 6.6 1110 106 Y N G X + 0 0 76 -3,-0.8 3,-1.1 1,-0.3 6,-0.5 0.853 68.8 73.7 -59.6 -36.6 52.1 122.1 4.5 1111 107 Y A G < S+ 0 0 56 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.536 75.6 83.4 -57.9 -5.9 54.3 123.3 7.3 1112 108 Y W G < S- 0 0 11 -3,-1.7 2,-1.2 1,-0.2 -1,-0.3 0.182 82.1-155.1 -86.4 21.1 53.3 120.1 9.1 1113 109 Y V S X> S+ 0 0 104 -3,-1.1 2,-2.6 1,-0.2 4,-0.9 -0.180 81.8 59.0 45.1 -80.8 56.0 118.1 7.2 1114 110 Y A T 34 S+ 0 0 15 -2,-1.2 -1,-0.2 1,-0.2 -76,-0.1 -0.499 108.7 47.6 -76.5 72.7 54.5 114.6 7.3 1115 111 Y W T 3>>S+ 0 0 25 -2,-2.6 5,-1.5 2,-0.3 4,-1.0 -0.006 89.5 72.0-172.0 -51.7 51.4 115.8 5.5 1116 112 Y R T <45S+ 0 0 143 -3,-0.5 2,-0.3 -6,-0.5 -2,-0.2 0.854 122.8 15.2 -46.4 -35.8 52.8 117.8 2.5 1117 113 Y K T <5S+ 0 0 115 -4,-0.9 -2,-0.3 -7,-0.1 4,-0.1 -0.928 128.9 32.5-136.3 151.2 53.7 114.3 1.4 1118 114 Y H T 45S+ 0 0 92 -2,-0.3 -2,-0.1 2,-0.2 -4,-0.1 0.224 130.2 29.8 84.2 -12.9 52.4 111.0 2.8 1119 115 Y n T <5S+ 0 0 1 -4,-1.0 3,-0.2 -81,-0.0 5,-0.2 0.443 84.6 110.5-148.2 -17.6 48.9 112.5 3.6 1120 116 Y K S - 0 0 99 1,-0.2 3,-2.0 -3,-0.1 -1,-0.2 -0.468 45.0-177.7 -71.9 79.4 40.7 110.6 1.3 1124 120 Y V G > + 0 0 12 -2,-2.7 3,-1.4 1,-0.3 4,-0.5 0.618 63.0 93.8 -55.6 -14.2 41.6 111.2 5.0 1125 121 Y R G >> S+ 0 0 181 1,-0.3 3,-1.8 2,-0.2 4,-1.1 0.819 70.7 74.1 -49.2 -30.2 37.9 110.6 5.7 1126 122 Y V G X4 S+ 0 0 87 -3,-2.0 3,-1.2 1,-0.3 -1,-0.3 0.910 85.8 59.7 -51.0 -48.0 39.0 107.0 6.3 1127 123 Y W G <4 S+ 0 0 44 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.687 102.4 53.7 -57.3 -22.4 40.6 107.9 9.6 1128 124 Y I G X> S+ 0 0 42 -3,-1.8 3,-1.7 -4,-0.5 4,-0.6 0.799 87.2 102.6 -82.7 -29.1 37.3 109.1 10.9 1129 125 Y K T << S+ 0 0 78 -3,-1.2 -119,-0.0 -4,-1.1 -3,-0.0 -0.245 82.7 21.4 -58.5 134.2 35.6 105.8 10.0 1130 126 Y G T 34 S+ 0 0 82 -120,-0.0 -1,-0.2 1,-0.0 -2,-0.1 0.121 104.1 84.5 95.4 -20.7 34.9 103.5 13.0 1131 127 Y m T <4 S- 0 0 25 -3,-1.7 -2,-0.2 -4,-0.1 -3,-0.1 0.765 89.9-133.6 -82.5 -29.8 35.1 106.2 15.6 1132 128 Y R < 0 0 213 -4,-0.6 -3,-0.1 -118,-0.0 -4,-0.0 0.993 360.0 360.0 69.6 75.7 31.5 107.2 15.2 1133 129 Y L 0 0 95 -5,-0.2 -4,-0.1 -116,-0.0 -5,-0.0 0.483 360.0 360.0-138.0 360.0 31.7 111.1 15.0