==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-09 3FXO . COMPND 2 MOLECULE: PROTEIN PHOSPHATASE 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.HU,L.WANG,K.WANG,H.JIANG,X.SHEN . 363 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 24 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 0 1 1 1 1 0 1 1 0 0 0 0 0 1 0 0 0 1 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 4 0 1 2 3 2 1 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 . 1 2 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 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 2 A G 0 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.4 -29.6 37.9 52.1 2 3 A A - 0 0 65 0, 0.0 31,-1.1 0, 0.0 2,-0.3 -0.989 360.0-142.0-147.8 150.6 -32.4 39.0 49.7 3 4 A F E -A 32 0A 100 -2,-0.3 29,-0.2 29,-0.2 28,-0.1 -0.794 33.0-109.1-101.8 151.8 -34.8 38.0 47.0 4 5 A L E - 0 0 41 27,-3.2 -1,-0.1 -2,-0.3 29,-0.1 -0.305 24.5-120.9 -65.4 160.4 -35.8 40.0 43.9 5 6 A D E S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.0 26,-0.1 0.865 100.8 13.0 -69.7 -39.6 -39.3 41.6 43.7 6 7 A K E S- 0 0 170 24,-0.1 -1,-0.3 25,-0.0 2,-0.1 -0.975 96.4 -99.4-136.5 146.2 -40.0 39.6 40.5 7 8 A P E - 0 0 28 0, 0.0 2,-1.0 0, 0.0 24,-0.3 -0.357 23.3-125.3 -70.2 143.6 -37.9 36.7 39.1 8 9 A K E +A 30 0A 113 22,-2.5 22,-2.6 24,-0.2 21,-0.4 -0.811 32.6 177.1 -82.9 103.2 -35.4 37.2 36.3 9 10 A M + 0 0 109 -2,-1.0 -1,-0.1 20,-0.2 2,-0.1 0.315 29.4 131.8 -93.7 7.9 -36.7 34.6 33.9 10 11 A E - 0 0 138 20,-0.1 19,-0.5 1,-0.1 2,-0.4 -0.377 49.8-136.0 -65.7 135.5 -34.2 35.3 31.1 11 12 A K - 0 0 45 17,-0.1 2,-0.5 -2,-0.1 17,-0.2 -0.754 13.5-161.9 -99.7 135.1 -32.6 32.2 29.6 12 13 A H E +B 27 0B 109 15,-2.1 15,-1.8 -2,-0.4 2,-0.3 -0.982 26.6 179.8-110.8 124.2 -28.9 31.6 28.8 13 14 A N E +B 26 0B 58 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.790 19.9 178.4-122.5 160.5 -28.5 28.7 26.5 14 15 A A E -B 25 0B 32 11,-0.9 11,-1.8 -2,-0.3 2,-0.3 -0.960 6.9-178.6-150.8 159.4 -25.9 26.7 24.6 15 16 A Q E +B 24 0B 114 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 4.7 166.0-152.6 161.4 -26.0 23.7 22.3 16 17 A G E -B 23 0B 27 7,-1.8 7,-2.3 -2,-0.3 2,-0.3 -0.987 18.8-144.6-170.9 173.6 -23.6 21.4 20.3 17 18 A Q E +B 22 0B 158 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.995 36.7 107.5-153.0 139.1 -23.1 18.2 18.4 18 19 A G E > +B 21 0B 23 3,-1.9 3,-2.0 -2,-0.3 26,-0.1 -0.716 60.5 40.7 155.8 154.1 -20.2 15.7 18.0 19 20 A N T 3 S- 0 0 61 1,-0.3 3,-0.1 -2,-0.2 25,-0.1 0.869 130.1 -60.7 52.9 39.7 -18.8 12.3 18.9 20 21 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 270,-0.1 2,-0.2 0.466 114.4 118.9 70.3 3.8 -22.4 11.0 18.4 21 22 A L E < -B 18 0B 1 -3,-2.0 -3,-1.9 269,-0.1 2,-0.4 -0.663 45.5-165.4-102.4 152.2 -23.7 13.3 21.1 22 23 A R E -BC 17 289B 96 267,-1.8 267,-3.5 -2,-0.2 2,-0.4 -0.995 14.6-176.6-128.5 140.1 -26.1 16.2 21.2 23 24 A Y E +BC 16 288B 29 -7,-2.3 -7,-1.8 -2,-0.4 2,-0.3 -0.994 13.8 179.4-138.1 147.6 -26.4 18.6 24.1 24 25 A G E -BC 15 287B 0 263,-2.2 263,-3.1 -2,-0.4 2,-0.3 -0.947 10.2-170.0-130.9 156.7 -28.5 21.6 25.2 25 26 A L E -BC 14 286B 2 -11,-1.8 -11,-0.9 -2,-0.3 2,-0.3 -0.984 6.1-168.7-143.5 157.9 -28.3 23.7 28.3 26 27 A S E -BC 13 285B 1 259,-2.4 259,-2.7 -2,-0.3 2,-0.4 -0.974 2.9-176.7-148.5 133.8 -30.3 26.4 30.1 27 28 A S E +BC 12 284B 10 -15,-1.8 -15,-2.1 -2,-0.3 2,-0.3 -0.985 4.0 179.5-131.2 143.0 -29.6 28.7 33.0 28 29 A M E - C 0 283B 1 255,-2.6 255,-2.3 -2,-0.4 -17,-0.1 -0.998 27.2-145.4-143.8 141.8 -31.8 31.2 34.7 29 30 A Q > + 0 0 29 -19,-0.5 3,-0.9 -21,-0.4 -20,-0.2 0.919 39.3 173.4 -74.0 -43.5 -31.3 33.6 37.6 30 31 A G E 3 -A 8 0A 0 -22,-2.6 -22,-2.5 1,-0.2 -1,-0.2 -0.429 58.9 -17.6 74.0-143.7 -34.8 33.3 39.0 31 32 A W E 3 S+ 0 0 59 250,-0.3 -27,-3.2 -24,-0.3 -1,-0.2 0.617 106.7 104.5 -73.8 -16.3 -35.9 34.9 42.3 32 33 A R E < S-A 3 0A 96 -3,-0.9 -24,-0.2 -29,-0.2 -29,-0.2 -0.442 74.3-130.2 -77.7 142.9 -32.3 35.4 43.6 33 34 A V S S+ 0 0 62 -31,-1.1 2,-0.2 -2,-0.2 -1,-0.1 0.784 91.4 32.5 -56.2 -31.9 -30.6 38.7 43.7 34 35 A E S S- 0 0 114 -5,-0.1 2,-0.6 -30,-0.0 -2,-0.1 -0.775 73.8-126.9-123.4 165.2 -27.5 37.2 42.0 35 36 A M + 0 0 52 -2,-0.2 -6,-0.1 1,-0.1 29,-0.1 -0.937 35.3 161.1-112.0 107.6 -26.6 34.5 39.4 36 37 A E + 0 0 36 -2,-0.6 24,-1.6 24,-0.2 2,-0.2 0.318 38.2 105.4-112.8 6.0 -24.0 32.2 41.1 37 38 A D E -G 59 0C 15 22,-0.2 2,-0.3 -9,-0.1 22,-0.2 -0.592 43.8-179.9 -81.0 147.7 -24.3 29.1 38.9 38 39 A A E -G 58 0C 9 20,-2.7 20,-3.3 -2,-0.2 2,-0.3 -0.895 3.1-169.3-137.0 170.7 -21.7 28.2 36.2 39 40 A H E -G 57 0C 61 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.987 14.5-147.3-155.6 161.0 -21.2 25.4 33.7 40 41 A T E +G 56 0C 20 16,-2.4 16,-2.5 -2,-0.3 2,-0.3 -0.983 15.4 172.5-130.2 146.8 -18.9 23.7 31.2 41 42 A A E +G 55 0C 27 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.858 11.7 156.7-153.9 115.3 -19.8 22.0 28.0 42 43 A V E -G 54 0C 40 12,-2.3 12,-2.9 -2,-0.3 2,-0.6 -0.951 24.4-162.7-149.3 120.9 -17.2 20.8 25.6 43 44 A I E S+G 53 0C 44 -2,-0.3 10,-0.2 10,-0.2 -24,-0.1 -0.937 76.9 24.4-101.5 119.7 -17.3 18.1 22.9 44 45 A G E S- 0 0 23 8,-2.1 6,-0.3 -2,-0.6 9,-0.1 0.648 77.9-142.8 89.4 112.0 -13.7 17.1 21.9 45 46 A L E > -G 49 0C 8 4,-2.1 4,-1.1 7,-0.3 7,-0.2 -0.795 19.4 -99.4-111.6 148.9 -10.9 17.7 24.4 46 47 A P T 4 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.012 91.6 36.8 -54.4 162.3 -7.2 18.8 23.9 47 48 A S T 4 S- 0 0 102 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.919 135.1 -40.4 60.0 56.5 -4.1 16.5 23.8 48 49 A G T 4 S+ 0 0 75 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.760 113.2 105.1 69.5 27.1 -5.4 13.4 22.0 49 50 A L E >< +G 45 0C 15 -4,-1.1 -4,-2.1 1,-0.1 3,-1.9 -0.136 32.1 131.1-123.9 34.6 -8.8 13.3 23.7 50 51 A E E 3 S+ 0 0 150 -6,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.808 73.5 53.0 -54.8 -34.9 -10.8 14.6 20.7 51 52 A S E 3 S+ 0 0 48 -7,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.466 96.3 88.2 -85.7 -1.7 -13.2 11.7 21.1 52 53 A W E < - 0 0 32 -3,-1.9 -8,-2.1 -7,-0.2 -7,-0.3 -0.651 59.5-162.7 -89.2 152.8 -13.8 12.6 24.8 53 54 A S E -GH 43 133C 1 80,-2.2 80,-2.8 -2,-0.2 2,-0.3 -0.902 2.6-158.3-128.7 163.0 -16.5 15.1 26.0 54 55 A F E +GH 42 132C 2 -12,-2.9 -12,-2.3 -2,-0.3 2,-0.4 -0.968 11.3 173.2-146.8 129.5 -17.0 16.9 29.3 55 56 A F E +GH 41 131C 0 76,-2.4 76,-2.2 -2,-0.3 2,-0.3 -0.991 9.4 165.5-133.7 141.5 -20.1 18.5 30.8 56 57 A A E -GH 40 130C 1 -16,-2.5 -16,-2.4 -2,-0.4 2,-0.4 -0.980 24.7-149.9-158.5 145.2 -20.5 20.1 34.3 57 58 A V E -GH 39 129C 0 72,-2.8 72,-2.1 -2,-0.3 2,-0.5 -0.932 14.2-161.8-112.8 138.8 -22.8 22.3 36.5 58 59 A Y E -G 38 0C 1 -20,-3.3 -20,-2.7 -2,-0.4 2,-0.8 -0.978 5.7-161.8-124.7 119.3 -21.4 24.5 39.3 59 60 A D E -G 37 0C 14 -2,-0.5 68,-1.7 68,-0.3 -22,-0.2 -0.852 20.6-157.9-101.8 99.4 -23.6 25.8 42.0 60 61 A G E -K 126 0D 3 -24,-1.6 2,-0.3 -2,-0.8 66,-0.3 -0.426 7.3-164.0 -79.8 148.4 -21.7 28.7 43.6 61 62 A H E +K 125 0D 38 64,-3.3 64,-2.6 1,-0.1 5,-0.2 -0.989 67.8 12.5-136.7 151.0 -22.3 30.1 47.1 62 63 A A S S- 0 0 70 -2,-0.3 61,-0.5 62,-0.2 2,-0.2 0.818 136.3 -17.8 53.6 38.4 -21.3 33.3 48.9 63 64 A G S S- 0 0 13 -3,-0.1 62,-0.4 61,-0.1 4,-0.2 -0.555 70.4-103.6 120.9 171.2 -20.3 34.5 45.4 64 65 A S S > S+ 0 0 26 -2,-0.2 4,-3.1 -4,-0.1 5,-0.3 0.434 86.7 98.0-112.9 -3.9 -19.5 33.2 41.9 65 66 A Q H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 87.8 43.0 -53.2 -51.6 -15.7 33.5 41.8 66 67 A V H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 116.6 47.7 -62.4 -47.5 -15.0 29.8 42.7 67 68 A A H > S+ 0 0 0 58,-0.3 4,-2.5 -4,-0.2 -2,-0.2 0.922 113.3 48.0 -59.5 -48.0 -17.8 28.5 40.4 68 69 A K H X S+ 0 0 117 -4,-3.1 4,-0.7 2,-0.2 -1,-0.2 0.864 111.8 48.7 -62.0 -41.3 -16.6 30.7 37.5 69 70 A Y H >X S+ 0 0 51 -4,-2.3 4,-1.4 -5,-0.3 3,-0.6 0.920 112.8 49.6 -65.4 -41.0 -12.9 29.7 37.9 70 71 A C H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 3,-0.5 0.923 103.9 57.6 -61.5 -46.7 -13.9 26.0 38.0 71 72 A C H 3< S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.679 116.2 36.5 -62.2 -18.7 -16.1 26.2 34.9 72 73 A E H << S+ 0 0 144 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.659 132.1 22.2-103.6 -19.2 -13.1 27.4 32.9 73 74 A H H X S+ 0 0 59 -4,-1.4 4,-1.7 -3,-0.5 -3,-0.2 0.504 90.2 88.9-133.0 -8.7 -10.3 25.4 34.5 74 75 A L H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 5,-0.1 0.917 88.9 58.2 -60.8 -41.3 -11.4 22.3 36.3 75 76 A L H > S+ 0 0 23 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.870 108.9 41.5 -58.5 -45.7 -11.1 20.2 33.1 76 77 A D H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.824 110.8 55.9 -78.1 -28.2 -7.4 20.9 32.5 77 78 A H H < S+ 0 0 33 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.867 113.3 45.3 -61.8 -35.0 -6.6 20.5 36.2 78 79 A I H < S+ 0 0 1 -4,-2.0 3,-0.5 -5,-0.2 6,-0.3 0.940 123.6 30.3 -71.6 -50.9 -8.2 17.1 35.8 79 80 A T H < S+ 0 0 9 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.761 112.1 64.1 -84.7 -26.9 -6.5 16.0 32.5 80 81 A N S < S+ 0 0 85 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.2 -0.222 83.8 92.1 -96.4 42.7 -3.2 17.8 32.9 81 82 A N S > S- 0 0 9 -3,-0.5 4,-1.4 -2,-0.3 3,-0.3 -0.904 83.2-114.2-126.6 162.7 -1.9 16.0 35.9 82 83 A Q H > S+ 0 0 160 -2,-0.3 4,-0.8 1,-0.2 17,-0.1 0.751 110.9 60.3 -69.9 -26.5 0.3 12.9 36.1 83 84 A D H 4 S+ 0 0 63 2,-0.2 16,-0.4 1,-0.2 3,-0.2 0.890 107.8 44.5 -66.7 -42.0 -2.3 10.6 37.7 84 85 A F H 4 S+ 0 0 7 -3,-0.3 -2,-0.2 -6,-0.3 -1,-0.2 0.852 120.8 41.8 -65.8 -36.1 -4.7 11.1 34.7 85 86 A K H < S+ 0 0 122 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.476 83.5 126.4 -90.4 -5.5 -1.7 10.6 32.4 86 87 A G < + 0 0 50 -4,-0.8 -1,-0.1 -3,-0.2 -2,-0.1 0.676 58.1 47.7 -18.3 -87.7 -0.1 7.7 34.4 87 88 A S S S- 0 0 58 -4,-0.2 5,-0.0 -3,-0.1 0, 0.0 -0.310 90.7-109.3 -72.6 150.3 0.4 4.7 32.0 88 89 A A S S+ 0 0 116 -2,-0.0 -1,-0.1 3,-0.0 -2,-0.0 0.813 97.2 35.1 -47.7 -49.3 2.0 5.2 28.6 89 90 A G S S- 0 0 61 1,-0.3 3,-0.1 0, 0.0 0, 0.0 0.407 117.7 -19.8 -83.8-142.9 -1.0 4.7 26.3 90 91 A A S S- 0 0 79 1,-0.1 -1,-0.3 0, 0.0 -3,-0.1 -0.405 83.3 -93.7 -63.1 142.8 -4.7 5.6 26.8 91 92 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.332 38.7-133.1 -61.4 138.2 -5.6 6.3 30.5 92 93 A S > - 0 0 44 -3,-0.1 4,-2.7 -8,-0.1 5,-0.2 -0.243 30.9 -96.0 -79.9 175.7 -7.0 3.4 32.5 93 94 A V H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.956 129.4 47.3 -57.6 -51.6 -10.2 3.5 34.7 94 95 A E H > S+ 0 0 124 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.875 110.3 54.4 -54.5 -43.6 -8.0 4.1 37.8 95 96 A N H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.954 111.9 42.2 -54.6 -56.4 -6.0 6.7 35.8 96 97 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.906 116.5 49.3 -59.6 -44.8 -9.2 8.7 35.0 97 98 A K H X S+ 0 0 73 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.876 116.8 39.3 -64.9 -44.0 -10.6 8.2 38.5 98 99 A N H X S+ 0 0 78 -4,-3.1 4,-2.8 -15,-0.2 -14,-0.2 0.833 111.0 60.8 -74.5 -34.1 -7.4 9.3 40.3 99 100 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 -16,-0.4 -15,-0.2 0.920 106.5 45.9 -52.4 -49.5 -6.8 12.0 37.7 100 101 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.891 111.1 52.4 -63.0 -44.4 -10.2 13.6 38.7 101 102 A R H X S+ 0 0 92 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.975 113.7 43.1 -54.8 -56.6 -9.4 13.3 42.4 102 103 A T H X S+ 0 0 23 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.884 111.4 55.0 -56.8 -45.5 -6.0 15.1 41.9 103 104 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.4 46.6 -54.4 -45.8 -7.6 17.7 39.6 104 105 A F H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.915 116.6 43.1 -61.6 -46.6 -10.2 18.5 42.3 105 106 A L H X S+ 0 0 36 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.873 115.5 48.6 -70.7 -38.2 -7.5 18.8 45.1 106 107 A E H X S+ 0 0 87 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.873 110.4 48.8 -73.5 -38.2 -5.0 20.7 43.0 107 108 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.861 110.0 54.2 -67.3 -35.3 -7.4 23.3 41.7 108 109 A D H X S+ 0 0 10 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.945 114.4 38.8 -62.9 -49.7 -8.7 23.9 45.3 109 110 A E H X S+ 0 0 125 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.829 112.7 58.5 -69.5 -33.5 -5.2 24.5 46.6 110 111 A H H X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 108.7 44.6 -59.2 -46.3 -4.4 26.5 43.4 111 112 A M H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.854 110.0 57.3 -65.7 -36.9 -7.3 28.8 44.1 112 113 A R H X S+ 0 0 84 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.919 108.6 43.3 -62.6 -48.5 -6.2 29.0 47.8 113 114 A V H X S+ 0 0 65 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.934 113.3 54.1 -62.7 -43.7 -2.7 30.3 47.0 114 115 A M H X S+ 0 0 55 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 113.1 42.1 -53.2 -49.1 -4.1 32.7 44.4 115 116 A S H <>S+ 0 0 30 -4,-2.7 5,-2.3 2,-0.2 4,-0.4 0.866 114.5 51.5 -66.5 -39.0 -6.5 34.2 47.0 116 117 A E H <5S+ 0 0 150 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.873 113.7 44.2 -67.4 -37.7 -3.8 34.2 49.7 117 118 A K H <5S+ 0 0 151 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.928 118.4 41.1 -71.2 -46.8 -1.3 36.0 47.4 118 119 A K T <5S- 0 0 171 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.286 107.7-120.3 -88.4 9.5 -3.8 38.6 46.0 119 120 A H T 5 - 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