==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/INHIBITOR 10-AUG-11 3TDB . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHANG,Y.ZHANG . 146 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A K 0 0 244 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.5 -4.8 13.9 23.2 2 7 A L - 0 0 42 30,-0.2 3,-0.2 2,-0.1 31,-0.1 0.662 360.0 -89.5 74.3 122.8 -5.4 17.3 21.6 3 8 A P > - 0 0 34 0, 0.0 3,-1.9 0, 0.0 121,-0.0 0.031 69.5 -55.9 -49.3 162.0 -2.8 19.0 19.4 4 9 A P T 3 S+ 0 0 102 0, 0.0 19,-0.1 0, 0.0 -2,-0.1 -0.203 125.1 13.6 -50.0 128.2 -0.2 21.3 21.0 5 10 A G T 3 S+ 0 0 13 1,-0.3 17,-2.2 -3,-0.2 2,-0.2 0.126 92.2 129.0 97.3 -18.4 -1.7 24.2 23.1 6 11 A W E < +A 21 0A 19 -3,-1.9 2,-0.3 15,-0.2 -1,-0.3 -0.489 27.6 170.2 -80.7 138.5 -5.3 22.8 23.3 7 12 A E E -A 20 0A 80 13,-2.7 13,-2.2 -2,-0.2 2,-0.3 -0.941 34.3-106.8-137.4 157.7 -7.2 22.5 26.6 8 13 A K E +A 19 0A 126 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.706 39.3 178.7 -85.1 138.8 -10.8 21.8 27.6 9 14 A A E -A 18 0A 25 9,-3.0 9,-2.4 -2,-0.3 2,-0.5 -0.885 25.3-124.7-133.0 171.1 -12.9 24.6 28.9 10 15 A M E -A 17 0A 111 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.969 26.9-121.7-119.9 122.6 -16.5 25.1 30.1 11 16 A S > - 0 0 13 5,-2.7 4,-1.5 -2,-0.5 6,-0.0 -0.439 13.3-150.9 -64.0 131.1 -18.8 27.7 28.5 12 17 A R T 4 S+ 0 0 251 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 0.815 93.7 39.6 -70.5 -34.6 -20.1 30.2 31.1 13 18 A S T 4 S+ 0 0 123 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.801 131.3 20.7 -88.2 -27.4 -23.3 30.9 29.2 14 19 A S T 4 S- 0 0 64 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.619 85.9-130.4-118.0 -19.5 -24.3 27.4 28.0 15 20 A G < + 0 0 48 -4,-1.5 2,-0.3 1,-0.3 -3,-0.1 0.447 62.9 135.8 75.6 0.7 -22.4 24.9 30.1 16 21 A R - 0 0 128 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.3 -0.589 59.6-112.9 -78.0 140.8 -21.2 23.1 27.0 17 22 A V E +A 10 0A 66 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.414 40.8 174.1 -66.0 145.7 -17.6 22.1 26.8 18 23 A Y E -A 9 0A 63 -9,-2.4 -9,-3.0 -2,-0.1 2,-0.4 -0.895 27.6-110.4-142.0 179.7 -15.3 23.8 24.3 19 24 A Y E -AB 8 28A 16 9,-3.3 9,-2.4 -2,-0.3 2,-0.4 -0.949 25.3-174.4-122.1 132.9 -11.7 23.9 23.3 20 25 A F E -AB 7 27A 51 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.5 -0.950 14.4-148.5-124.0 141.2 -9.2 26.7 23.8 21 26 A N E > -A 6 0A 0 5,-2.4 4,-2.0 -2,-0.4 5,-0.3 -0.969 2.2-159.8-112.9 121.0 -5.6 27.0 22.6 22 27 A H T 4 S+ 0 0 112 -17,-2.2 -16,-0.1 -2,-0.5 -1,-0.1 0.492 90.4 47.8 -83.0 -3.3 -3.3 29.0 25.0 23 28 A I T 4 S+ 0 0 57 -19,-0.1 98,-0.2 -18,-0.1 -1,-0.2 0.846 125.6 24.6 -95.5 -50.7 -0.7 29.6 22.2 24 29 A T T 4 S- 0 0 1 97,-0.1 108,-2.1 96,-0.1 119,-0.2 0.650 94.0-131.9 -89.9 -17.1 -3.0 30.8 19.4 25 30 A N < + 0 0 52 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.643 52.4 156.4 65.2 17.8 -5.9 32.0 21.5 26 31 A A - 0 0 10 -5,-0.3 -5,-2.4 106,-0.2 2,-0.4 -0.463 24.6-164.7 -70.1 148.4 -8.2 30.0 19.2 27 32 A S E +B 20 0A 46 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.998 15.8 157.6-137.7 129.4 -11.6 29.0 20.6 28 33 A Q E -B 19 0A 55 -9,-2.4 -9,-3.3 -2,-0.4 -2,-0.0 -0.996 43.6-139.2-153.5 152.8 -14.0 26.4 19.2 29 34 A W S S+ 0 0 111 -2,-0.3 -1,-0.1 -11,-0.2 2,-0.1 0.845 84.6 84.6 -69.3 -39.2 -16.9 24.0 20.1 30 35 A E S S- 0 0 123 1,-0.1 -11,-0.2 -11,-0.1 -2,-0.1 -0.349 91.2-106.7 -73.3 143.8 -15.5 21.3 17.9 31 36 A R - 0 0 139 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.587 43.6-114.9 -69.3 124.6 -12.8 18.8 19.2 32 37 A P 0 0 5 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.408 360.0 360.0 -69.4 131.1 -9.5 19.8 17.5 33 38 A S 0 0 143 -2,-0.2 -3,-0.0 -31,-0.1 0, 0.0 -0.954 360.0 360.0-166.9 360.0 -8.0 17.3 15.1 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 51 A E 0 0 156 0, 0.0 89,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 156.9 6.7 20.3 12.9 36 52 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 87,-0.0 -0.193 360.0-130.3 -64.4 156.5 7.3 21.9 9.5 37 53 A A S S+ 0 0 88 1,-0.2 74,-0.5 73,-0.1 2,-0.3 0.897 91.7 15.5 -67.5 -44.4 10.5 23.8 8.6 38 54 A R - 0 0 156 72,-0.2 2,-0.3 109,-0.1 72,-0.2 -0.936 63.5-163.1-131.4 152.1 8.4 26.7 7.3 39 55 A V E -C 109 0B 1 70,-2.4 70,-2.3 -2,-0.3 2,-0.4 -0.957 13.4-141.6-126.8 154.4 4.9 28.0 7.5 40 56 A R E +C 108 0B 79 -2,-0.3 106,-1.8 68,-0.3 107,-1.7 -0.966 29.8 170.7-111.8 133.2 3.0 30.6 5.4 41 57 A C E - D 0 145B 0 66,-1.2 65,-2.4 -2,-0.4 66,-0.4 -0.965 26.3-152.0-138.3 153.1 0.6 32.9 7.1 42 58 A S E -CD 105 144B 9 102,-2.8 102,-3.0 -2,-0.3 2,-0.3 -0.813 24.0-171.3-108.4 162.7 -1.5 36.0 6.6 43 59 A H E - D 0 143B 7 61,-1.8 2,-0.5 -2,-0.3 100,-0.2 -0.983 25.7-144.2-149.6 162.8 -2.4 38.4 9.4 44 60 A L E - D 0 142B 0 98,-1.9 98,-1.6 -2,-0.3 2,-0.4 -0.980 26.0-163.2-126.9 113.0 -4.5 41.4 10.3 45 61 A L E - D 0 141B 6 -2,-0.5 51,-3.1 96,-0.2 2,-0.5 -0.849 10.8-169.6-100.2 131.9 -2.6 43.7 12.7 46 62 A V E - D 0 140B 2 94,-2.6 94,-2.7 -2,-0.4 2,-0.2 -0.985 16.8-155.9-116.0 116.8 -4.4 46.4 14.8 47 63 A K - 0 0 11 -2,-0.5 2,-0.2 92,-0.2 92,-0.2 -0.483 9.7-169.7 -84.1 160.4 -1.9 48.7 16.4 48 64 A H > - 0 0 12 90,-0.3 3,-1.7 -2,-0.2 17,-0.2 -0.789 44.2 -80.3-136.4-178.4 -2.5 50.7 19.5 49 65 A S T 3 S+ 0 0 61 15,-2.9 16,-0.1 1,-0.3 13,-0.1 0.660 126.3 53.4 -62.7 -19.7 -0.7 53.5 21.4 50 66 A Q T 3 S+ 0 0 131 3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.277 81.1 124.3-100.0 9.9 1.7 51.1 23.1 51 67 A S S < S- 0 0 7 -3,-1.7 87,-0.2 11,-0.1 88,-0.1 -0.422 76.6-116.9 -64.4 141.9 2.8 49.6 19.8 52 68 A R S S+ 0 0 177 85,-3.5 86,-0.1 1,-0.3 -1,-0.1 0.691 114.0 26.1 -53.9 -18.9 6.6 49.7 19.2 53 69 A R S S- 0 0 140 84,-0.3 2,-3.8 85,-0.3 -1,-0.3 -0.638 75.9-161.9-146.4 81.7 5.7 52.0 16.2 54 70 A P + 0 0 54 0, 0.0 8,-3.0 0, 0.0 2,-0.3 -0.117 65.4 81.3 -68.1 55.6 2.4 53.8 16.8 55 71 A S + 0 0 34 -2,-3.8 2,-0.3 6,-0.2 5,-0.2 -0.990 47.8 161.5-156.0 147.0 2.1 54.6 13.0 56 72 A S - 0 0 11 3,-2.2 3,-0.3 -2,-0.3 41,-0.1 -0.941 55.2 -87.2-152.8 177.1 0.9 52.9 9.8 57 73 A W S S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.2 39,-0.1 0.676 123.9 57.2 -58.3 -23.2 -0.3 53.5 6.2 58 74 A R S S+ 0 0 92 1,-0.3 2,-0.3 37,-0.1 -1,-0.2 0.859 123.7 3.4 -79.4 -40.2 -3.8 53.9 7.6 59 75 A Q - 0 0 65 -3,-0.3 -3,-2.2 1,-0.1 -1,-0.3 -0.974 58.5-138.3-153.2 140.5 -3.0 56.7 10.0 60 76 A E S S+ 0 0 182 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.868 98.4 30.8 -66.3 -40.8 0.1 58.8 10.8 61 77 A K S S- 0 0 145 -6,-0.1 2,-0.7 0, 0.0 -6,-0.2 -0.983 74.6-153.9-121.3 120.8 -0.4 58.8 14.5 62 78 A I + 0 0 3 -8,-3.0 -11,-0.1 -2,-0.5 -14,-0.1 -0.867 23.2 164.4 -97.2 116.4 -2.1 55.8 16.1 63 79 A T + 0 0 93 -2,-0.7 -1,-0.1 -16,-0.1 -14,-0.1 0.385 30.5 116.5-114.0 -2.2 -3.8 56.8 19.3 64 80 A R - 0 0 53 -17,-0.1 -15,-2.9 1,-0.1 2,-0.1 -0.379 63.7-117.0 -69.9 151.9 -6.3 54.0 20.2 65 81 A T > - 0 0 53 -17,-0.2 4,-2.3 -16,-0.1 5,-0.2 -0.347 24.3-106.4 -81.9 165.0 -5.7 52.1 23.4 66 82 A K H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 123.1 54.7 -52.5 -43.5 -4.8 48.3 23.6 67 83 A E H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 109.4 45.2 -59.3 -45.8 -8.4 47.8 24.9 68 84 A E H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 112.1 52.2 -65.9 -39.8 -9.9 49.6 21.8 69 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.888 109.3 49.9 -63.0 -41.6 -7.6 47.6 19.5 70 86 A L H X S+ 0 0 52 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.906 107.1 54.9 -63.8 -42.5 -8.7 44.4 21.1 71 87 A E H X S+ 0 0 144 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.882 110.3 46.6 -52.5 -45.9 -12.4 45.4 20.6 72 88 A L H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 112.1 49.4 -62.4 -51.1 -11.7 45.9 16.9 73 89 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.890 110.1 51.8 -53.6 -46.5 -9.9 42.5 16.7 74 90 A N H X S+ 0 0 72 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.902 110.0 49.1 -61.1 -44.1 -12.8 40.8 18.4 75 91 A G H X S+ 0 0 16 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.845 110.4 50.4 -62.4 -39.9 -15.3 42.3 16.0 76 92 A Y H X S+ 0 0 23 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 109.3 51.5 -65.9 -41.9 -13.2 41.2 13.0 77 93 A I H X S+ 0 0 19 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.921 109.3 51.2 -60.4 -42.9 -13.0 37.7 14.3 78 94 A Q H X S+ 0 0 140 -4,-2.0 4,-2.5 1,-0.2 6,-0.3 0.924 111.2 46.9 -58.4 -48.6 -16.8 37.7 14.7 79 95 A K H X>S+ 0 0 86 -4,-2.1 6,-2.0 2,-0.2 5,-0.8 0.836 114.3 47.5 -63.1 -36.9 -17.4 38.8 11.1 80 96 A I H ><5S+ 0 0 30 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.945 114.2 46.1 -69.3 -48.1 -14.9 36.3 9.8 81 97 A K H 3<5S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.844 112.9 49.2 -65.5 -36.4 -16.4 33.4 11.9 82 98 A S H 3<5S- 0 0 69 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.661 110.4-122.8 -75.2 -15.1 -20.0 34.3 10.9 83 99 A G T <<5S+ 0 0 61 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.470 79.7 121.6 82.1 3.1 -19.0 34.5 7.2 84 100 A E S > - 0 0 98 -2,-0.3 4,-1.7 1,-0.1 3,-0.9 -0.686 25.2-115.7 -94.4 153.6 -13.7 37.1 4.8 87 103 A F H 3> S+ 0 0 9 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.858 112.3 53.2 -44.5 -46.0 -10.2 37.5 6.4 88 104 A E H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.780 106.6 52.0 -68.7 -32.9 -8.5 38.8 3.2 89 105 A S H <> S+ 0 0 39 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.885 113.0 43.5 -69.9 -44.3 -11.0 41.6 2.7 90 106 A L H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.776 111.4 53.9 -75.8 -31.0 -10.7 42.9 6.3 91 107 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 6,-0.2 0.918 109.7 49.6 -65.8 -43.3 -6.9 42.6 6.2 92 108 A S H < S+ 0 0 46 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.856 121.7 32.8 -60.8 -41.0 -6.8 44.7 3.0 93 109 A Q H < S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.771 133.7 21.0 -85.5 -32.1 -9.0 47.4 4.5 94 110 A F H < S+ 0 0 52 -4,-2.0 2,-0.3 -5,-0.1 -3,-0.2 0.500 81.2 115.4-128.1 -10.0 -8.0 47.4 8.1 95 111 A S < - 0 0 0 -4,-1.9 -49,-0.2 -5,-0.3 5,-0.2 -0.529 52.2-148.2 -73.2 132.5 -4.6 45.9 8.8 96 112 A D S S+ 0 0 3 -51,-3.1 2,-0.4 -2,-0.3 -1,-0.1 0.126 71.9 98.8 -83.8 18.9 -2.0 48.3 10.2 97 113 A C S > S- 0 0 28 -52,-0.2 3,-2.0 -6,-0.2 4,-0.2 -0.872 83.5-125.8-108.8 144.2 0.6 46.3 8.4 98 114 A S G > S+ 0 0 101 -2,-0.4 3,-1.5 1,-0.3 4,-0.1 0.742 107.7 72.5 -40.6 -35.1 2.3 46.9 5.1 99 115 A S G > > + 0 0 14 1,-0.3 5,-2.4 2,-0.2 3,-1.8 0.538 68.8 91.1 -73.3 -6.9 1.1 43.4 4.1 100 116 A A G X 5S+ 0 0 1 -3,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.829 78.7 62.5 -49.3 -36.5 -2.5 44.7 3.9 101 117 A K G < 5S+ 0 0 137 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.624 104.1 47.3 -69.7 -17.3 -1.7 45.4 0.2 102 118 A A G X 5S- 0 0 33 -3,-1.8 3,-2.2 3,-0.1 -1,-0.3 -0.200 130.1 -94.2-111.7 35.8 -1.2 41.6 -0.2 103 119 A R T < 5S- 0 0 131 -3,-1.5 -3,-0.2 1,-0.3 -12,-0.2 0.795 82.6 -57.7 56.2 28.0 -4.4 40.7 1.6 104 120 A G T 3 - 0 0 40 -2,-0.3 3,-1.1 -72,-0.2 4,-0.5 -0.576 46.2 -65.7-116.5 179.2 10.8 29.7 9.8 111 127 A R T 3 S+ 0 0 94 -74,-0.5 -1,-0.1 1,-0.2 5,-0.0 -0.468 116.8 40.0 -67.3 138.1 11.5 29.9 13.5 112 128 A G T 3 S+ 0 0 71 2,-0.3 -1,-0.2 -2,-0.2 4,-0.1 0.369 97.4 79.6 104.6 -3.0 13.7 32.8 14.4 113 129 A Q S < S+ 0 0 108 -3,-1.1 2,-0.2 2,-0.1 -2,-0.1 0.804 83.6 53.0-102.4 -40.5 12.3 35.4 12.0 114 130 A M S S- 0 0 57 -4,-0.5 -2,-0.3 1,-0.1 5,-0.0 -0.591 98.5 -80.6 -99.6 157.8 9.1 36.7 13.7 115 131 A Q >> - 0 0 46 -2,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.353 54.7-112.6 -47.8 133.0 8.3 38.1 17.1 116 132 A K H 3> S+ 0 0 109 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.760 111.4 49.7 -52.2 -44.4 8.0 35.0 19.3 117 133 A P H 3> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.924 114.1 47.3 -62.9 -41.8 4.3 35.1 20.2 118 134 A F H <> S+ 0 0 6 -3,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.929 115.3 46.4 -59.4 -48.7 3.4 35.5 16.5 119 135 A E H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.903 112.4 48.2 -61.0 -50.3 5.8 32.7 15.6 120 136 A D H X S+ 0 0 52 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.947 114.7 46.5 -58.3 -50.1 4.6 30.3 18.3 121 137 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 -98,-0.2 3,-0.4 0.923 112.4 50.8 -53.0 -50.9 1.0 31.0 17.3 122 138 A S H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.9 45.4 -59.3 -37.7 1.8 30.6 13.6 123 139 A F H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.679 109.9 54.1 -83.5 -21.5 3.5 27.2 14.2 124 140 A A H < S+ 0 0 18 -4,-1.6 2,-0.2 -3,-0.4 -2,-0.2 0.601 93.6 88.2 -84.0 -16.4 0.7 25.9 16.6 125 141 A L S < S- 0 0 2 -4,-1.2 2,-0.2 -5,-0.2 3,-0.1 -0.558 75.4-134.7 -75.3 147.1 -1.9 26.6 13.9 126 142 A R > - 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