==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-03 1NVR . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHAO,M.J.BOWER,P.J.MCDEVITT,H.ZHAO,S.T.DAVIS,K.O.JOHANSON, . 269 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 1 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 . 2 3 2 0 0 2 1 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 . 2 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 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 3 A V > 0 0 144 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.9 17.3 16.9 42.4 2 4 A P T 3 + 0 0 92 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.260 360.0 17.8 -66.3 153.4 16.9 13.2 43.0 3 5 A F T > S+ 0 0 109 1,-0.1 3,-2.1 25,-0.0 25,-0.3 0.254 81.5 119.8 76.4 -8.7 14.7 11.0 40.9 4 6 A V T < S+ 0 0 55 -3,-1.2 25,-0.1 1,-0.3 -1,-0.1 0.618 72.6 56.4 -65.6 -10.0 14.5 13.4 37.9 5 7 A E T 3 S+ 0 0 118 21,-0.1 266,-2.5 22,-0.0 2,-0.5 0.311 86.5 101.5-101.6 9.0 16.1 10.8 35.6 6 8 A D E < -A 270 0A 54 -3,-2.1 21,-2.9 264,-0.2 22,-0.4 -0.798 48.8-176.5 -97.5 132.7 13.5 8.2 36.4 7 9 A W E -AB 269 26A 18 262,-2.5 262,-2.1 -2,-0.5 2,-0.5 -0.983 17.2-144.2-129.1 135.3 10.7 7.5 33.9 8 10 A D E -AB 268 25A 76 17,-2.8 17,-2.8 -2,-0.4 2,-0.8 -0.854 15.6-136.4 -97.6 135.2 7.7 5.2 34.2 9 11 A L E + B 0 24A 26 258,-2.3 15,-0.2 -2,-0.5 3,-0.1 -0.813 34.3 166.7 -89.9 109.6 6.6 3.4 31.0 10 12 A V E + 0 0 82 13,-2.3 2,-0.3 -2,-0.8 -1,-0.1 0.611 51.1 18.5-105.5 -11.8 2.8 3.7 31.2 11 13 A Q E - B 0 23A 104 12,-0.8 12,-2.6 0, 0.0 2,-0.6 -0.979 66.7-118.6-161.5 142.6 1.4 2.8 27.8 12 14 A T E + B 0 22A 66 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.750 25.1 179.8 -85.4 118.7 2.3 1.1 24.6 13 15 A L E S- 0 0 68 8,-2.9 2,-0.3 -2,-0.6 9,-0.2 0.817 70.6 -11.3 -84.8 -35.4 2.1 3.5 21.7 14 16 A G E - B 0 21A 23 7,-1.7 7,-2.9 2,-0.0 -1,-0.4 -0.948 58.3-169.5-164.6 143.6 3.1 1.0 19.1 15 17 A E E + B 0 20A 136 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.995 24.2 136.9-139.5 133.9 4.5 -2.5 18.9 16 18 A G E > - B 0 19A 33 3,-2.3 2,-3.5 -2,-0.4 3,-3.4 -0.987 67.0 -64.4-166.3 169.0 5.8 -4.4 15.9 17 19 A A T 3 S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.322 126.2 55.3 -60.4 72.5 8.5 -6.7 14.4 18 20 A Y T 3 S- 0 0 117 -2,-3.5 2,-0.4 1,-0.2 -1,-0.3 0.149 119.8 -88.8-178.7 -14.6 11.0 -3.9 15.0 19 21 A G E < -B 16 0A 21 -3,-3.4 -3,-2.3 19,-0.1 2,-0.3 -0.980 54.0 -71.8 130.2-142.0 10.6 -3.3 18.8 20 22 A E E -BC 15 37A 51 17,-2.0 17,-3.4 -2,-0.4 2,-0.5 -0.993 17.1-138.9-156.2 161.5 8.2 -0.9 20.6 21 23 A V E -BC 14 36A 32 -7,-2.9 -8,-2.9 -2,-0.3 -7,-1.7 -0.995 26.1-172.6-124.3 122.5 7.3 2.6 21.4 22 24 A Q E -BC 12 35A 16 13,-2.3 13,-3.1 -2,-0.5 2,-0.5 -0.873 27.3-120.4-117.0 150.6 6.2 3.4 25.0 23 25 A L E -BC 11 34A 13 -12,-2.6 -13,-2.3 -2,-0.3 -12,-0.8 -0.780 34.5-161.2 -85.8 124.8 4.8 6.6 26.6 24 26 A A E -BC 9 33A 0 9,-3.4 9,-2.5 -2,-0.5 2,-0.5 -0.925 6.6-160.7-112.4 139.8 7.2 7.5 29.4 25 27 A V E -BC 8 32A 33 -17,-2.8 -17,-2.8 -2,-0.4 7,-0.2 -0.968 25.4-116.1-122.6 128.5 6.2 9.8 32.2 26 28 A N E > -B 7 0A 6 5,-2.7 4,-1.8 -2,-0.5 -19,-0.2 -0.402 16.3-138.4 -66.1 129.5 8.8 11.5 34.4 27 29 A R T 4 S+ 0 0 125 -21,-2.9 -1,-0.1 -24,-0.3 -23,-0.1 0.816 99.5 26.0 -57.2 -32.8 8.7 10.4 38.0 28 30 A V T 4 S+ 0 0 63 -22,-0.4 -1,-0.2 -25,-0.3 -24,-0.1 0.889 133.0 28.6 -98.5 -51.0 9.2 13.9 39.3 29 31 A T T 4 S- 0 0 86 -25,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.652 86.7-134.7 -88.0 -17.5 8.0 16.4 36.6 30 32 A E < + 0 0 156 -4,-1.8 -3,-0.1 1,-0.2 2,-0.1 0.595 47.9 159.3 68.7 15.8 5.3 14.2 35.0 31 33 A E - 0 0 96 -6,-0.1 -5,-2.7 1,-0.1 2,-0.5 -0.423 34.2-136.2 -64.9 142.2 6.7 15.3 31.6 32 34 A A E +C 25 0A 38 -7,-0.2 46,-0.5 -3,-0.1 2,-0.3 -0.897 30.7 163.7-108.1 131.8 5.6 12.9 28.9 33 35 A V E -CD 24 77A 2 -9,-2.5 -9,-3.4 -2,-0.5 2,-0.4 -0.943 35.5-118.4-138.2 158.5 8.0 11.6 26.2 34 36 A A E -CD 23 76A 9 42,-3.1 42,-3.0 -2,-0.3 2,-0.5 -0.804 25.3-157.6 -96.1 141.8 7.9 8.7 23.8 35 37 A V E -CD 22 75A 0 -13,-3.1 -13,-2.3 -2,-0.4 2,-0.5 -0.960 4.1-153.4-123.5 118.3 10.6 6.1 24.1 36 38 A K E -CD 21 74A 25 38,-2.9 38,-3.0 -2,-0.5 2,-0.5 -0.798 14.8-162.5 -88.3 128.0 11.5 3.9 21.2 37 39 A I E -CD 20 73A 17 -17,-3.4 -17,-2.0 -2,-0.5 2,-0.4 -0.956 9.9-179.8-116.6 122.4 13.0 0.6 22.5 38 40 A V E - D 0 72A 8 34,-2.1 34,-2.2 -2,-0.5 2,-0.9 -0.977 25.3-142.0-128.2 129.3 14.9 -1.6 20.2 39 41 A D E - D 0 71A 96 -2,-0.4 32,-0.2 32,-0.2 31,-0.0 -0.776 15.7-150.2 -85.0 109.2 16.6 -5.0 20.9 40 42 A M 0 0 85 30,-3.7 -1,-0.1 -2,-0.9 31,-0.1 0.389 360.0 360.0 -64.6 9.8 19.8 -4.8 18.9 41 43 A K 0 0 195 29,-0.2 -2,-0.1 0, 0.0 29,-0.0 -0.739 360.0 360.0 -92.8 360.0 19.7 -8.6 18.4 42 ! 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 43 51 A N > 0 0 177 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.0 20.7 0.9 11.0 44 52 A I H > + 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 360.0 53.3 -62.3 -45.7 20.2 2.1 14.6 45 53 A K H > S+ 0 0 179 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 110.7 48.5 -58.1 -38.6 23.4 4.2 14.4 46 54 A K H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 109.2 49.2 -70.6 -46.7 22.0 5.8 11.2 47 55 A E H X S+ 0 0 19 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.932 114.1 48.6 -59.3 -42.6 18.5 6.6 12.5 48 56 A I H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.944 109.4 51.5 -62.6 -45.5 20.1 8.2 15.6 49 57 A C H X S+ 0 0 82 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.938 114.4 43.5 -56.7 -45.9 22.5 10.2 13.5 50 58 A I H >< S+ 0 0 4 -4,-2.7 3,-1.3 1,-0.2 4,-0.5 0.929 110.0 55.4 -69.2 -41.0 19.7 11.5 11.4 51 59 A N H >< S+ 0 0 8 -4,-3.2 3,-1.2 1,-0.3 11,-0.5 0.835 99.5 62.0 -60.7 -31.4 17.4 12.2 14.4 52 60 A K H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.772 99.8 55.7 -66.1 -23.6 20.1 14.4 15.9 53 61 A M T << S+ 0 0 81 -3,-1.3 2,-0.7 -4,-0.6 -1,-0.3 0.610 84.6 105.3 -83.1 -10.5 19.9 16.7 13.0 54 62 A L < + 0 0 2 -3,-1.2 8,-0.5 -4,-0.5 2,-0.3 -0.626 28.7 148.5 -88.3 115.6 16.2 17.4 13.3 55 63 A N + 0 0 113 -2,-0.7 2,-0.3 6,-0.1 5,-0.1 -0.734 29.8 111.4-138.9 85.3 15.0 20.7 14.7 56 64 A H > - 0 0 48 3,-0.4 3,-1.7 -2,-0.3 53,-0.0 -0.982 68.3-118.0-157.7 145.2 11.7 21.9 13.4 57 65 A E T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.636 113.4 47.5 -60.3 -17.4 8.1 22.4 14.7 58 66 A N T 3 S+ 0 0 8 79,-0.1 80,-2.8 50,-0.1 2,-0.4 0.034 101.5 72.5-113.5 24.7 6.7 19.8 12.2 59 67 A V B < S-f 138 0B 1 -3,-1.7 -3,-0.4 78,-0.3 80,-0.2 -0.999 93.0-102.2-136.2 133.5 9.2 17.0 12.8 60 68 A V - 0 0 8 78,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.359 41.6-126.7 -57.0 126.9 9.4 14.8 15.9 61 69 A K - 0 0 71 -4,-0.1 16,-2.9 -2,-0.1 2,-0.5 -0.549 12.1-139.9 -80.3 144.6 12.2 16.1 18.1 62 70 A F E -E 76 0A 23 -8,-0.5 14,-0.2 -11,-0.5 3,-0.1 -0.913 16.2-176.2-103.6 124.0 15.0 13.7 19.3 63 71 A Y E - 0 0 118 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.759 52.1 -80.0 -93.7 -27.6 16.1 14.2 22.9 64 72 A G E -E 75 0A 22 11,-1.1 11,-2.7 2,-0.0 -1,-0.4 -0.899 39.7-110.6 150.4 179.8 18.9 11.6 23.1 65 73 A H E -E 74 0A 93 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.941 15.0-169.0-143.4 167.0 19.5 8.0 23.6 66 74 A R E -E 73 0A 93 7,-1.4 7,-2.7 -2,-0.3 2,-0.3 -0.980 9.6-157.6-153.1 142.9 20.9 5.6 26.1 67 75 A R E -E 72 0A 152 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.930 11.6-167.0-128.6 155.5 21.8 1.9 25.8 68 76 A E E > -E 71 0A 84 3,-2.0 3,-1.4 -2,-0.3 2,-0.7 -0.849 69.3 -58.4-138.2 94.1 22.2 -0.9 28.3 69 77 A G T 3 S- 0 0 54 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.546 123.5 -3.7 74.6-112.0 23.8 -3.8 26.6 70 78 A N T 3 S+ 0 0 86 -2,-0.7 -30,-3.7 -3,-0.1 2,-0.5 0.455 116.9 85.2 -96.6 -4.6 21.7 -4.9 23.7 71 79 A I E < -DE 39 68A 54 -3,-1.4 -3,-2.0 -32,-0.2 2,-0.4 -0.865 58.3-160.8-107.3 132.2 18.8 -2.5 24.2 72 80 A Q E -DE 38 67A 11 -34,-2.2 -34,-2.1 -2,-0.5 2,-0.5 -0.905 3.0-158.8-107.9 137.6 18.7 1.1 22.8 73 81 A Y E -DE 37 66A 30 -7,-2.7 -7,-1.4 -2,-0.4 2,-0.6 -0.950 5.6-167.1-118.5 111.3 16.3 3.6 24.3 74 82 A L E -DE 36 65A 2 -38,-3.0 -38,-2.9 -2,-0.5 2,-0.6 -0.877 10.7-148.3-101.5 123.8 15.6 6.6 22.0 75 83 A F E +DE 35 64A 14 -11,-2.7 -12,-3.2 -2,-0.6 -11,-1.1 -0.820 26.6 174.2 -94.2 121.9 13.8 9.5 23.8 76 84 A L E -DE 34 62A 24 -42,-3.0 -42,-3.1 -2,-0.6 -14,-0.2 -0.908 39.7 -86.3-130.0 153.7 11.5 11.4 21.4 77 85 A E E -D 33 0A 37 -16,-2.9 2,-0.4 -2,-0.3 -44,-0.1 -0.300 48.9-124.8 -56.7 134.0 8.9 14.2 21.5 78 86 A Y - 0 0 56 -46,-0.5 2,-0.7 -54,-0.1 -1,-0.1 -0.715 17.0-160.7 -89.6 131.7 5.5 12.8 22.4 79 87 A C > - 0 0 10 -2,-0.4 3,-1.8 1,-0.1 51,-0.3 -0.845 5.8-173.9-111.5 93.9 2.5 13.5 20.1 80 88 A S T 3 S+ 0 0 56 -2,-0.7 51,-0.2 1,-0.3 -1,-0.1 0.704 75.5 69.7 -66.7 -16.8 -0.6 12.9 22.2 81 89 A G T 3 S- 0 0 20 49,-2.0 -1,-0.3 1,-0.2 50,-0.2 0.560 91.9-150.5 -77.1 -7.6 -3.0 13.3 19.2 82 90 A G E < -G 130 0B 29 -3,-1.8 48,-1.8 48,-0.6 2,-0.2 -0.294 43.8 -5.0 77.3-160.6 -1.8 10.1 17.6 83 91 A E E > -G 129 0B 69 46,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.502 47.8-139.2 -77.5 141.8 -1.8 9.2 13.9 84 92 A L G > S+ 0 0 0 44,-3.0 3,-2.3 41,-0.8 4,-0.3 0.852 104.0 72.5 -61.1 -31.7 -3.1 11.5 11.2 85 93 A F G > S+ 0 0 92 40,-1.4 3,-1.3 43,-0.3 -1,-0.3 0.846 89.8 57.4 -51.5 -39.8 -4.4 8.2 9.8 86 94 A D G < S+ 0 0 117 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.522 98.7 58.9 -73.1 -4.6 -7.1 8.1 12.6 87 95 A R G < S+ 0 0 89 -3,-2.3 2,-0.7 -4,-0.2 -1,-0.2 0.370 86.3 94.4 -99.4 -2.4 -8.6 11.5 11.6 88 96 A I S < S- 0 0 23 -3,-1.3 6,-0.2 -4,-0.3 105,-0.1 -0.837 72.3-142.7 -94.6 119.4 -9.3 10.2 8.2 89 97 A E B >> -I 93 0C 115 4,-2.6 4,-2.8 -2,-0.7 3,-2.5 -0.673 30.7-104.7 -81.4 122.4 -12.8 8.8 7.8 90 98 A P T 34 S- 0 0 85 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.213 99.7 -4.2 -50.7 128.9 -13.0 5.8 5.6 91 99 A D T 34 S+ 0 0 107 105,-2.8 105,-0.2 1,-0.1 106,-0.1 0.401 134.4 61.9 66.0 4.6 -14.4 6.6 2.2 92 100 A I T <4 S- 0 0 114 -3,-2.5 2,-0.5 104,-0.2 104,-0.3 0.694 77.6-161.3-119.9 -49.8 -15.1 10.2 3.3 93 101 A G B < -I 89 0C 2 -4,-2.8 -4,-2.6 102,-0.3 101,-0.3 -0.833 36.6 -71.2 100.2-132.4 -11.8 11.9 4.2 94 102 A M - 0 0 23 99,-1.4 -6,-0.1 -2,-0.5 5,-0.1 -0.937 62.3 -58.8-154.6 171.0 -12.0 15.0 6.4 95 103 A P >> - 0 0 77 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.337 50.7-124.9 -57.8 135.6 -13.2 18.6 6.0 96 104 A E H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.854 107.7 54.7 -53.0 -39.9 -11.2 20.3 3.3 97 105 A P H 3> S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.892 108.7 48.8 -63.8 -36.9 -10.0 23.1 5.5 98 106 A D H <> S+ 0 0 43 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.913 111.7 49.2 -65.4 -44.3 -8.6 20.7 8.0 99 107 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.902 109.8 52.5 -60.8 -42.9 -6.8 18.8 5.2 100 108 A Q H X S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.922 110.0 47.5 -61.5 -42.7 -5.4 22.0 3.9 101 109 A R H X S+ 0 0 60 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.926 113.5 47.0 -63.7 -46.4 -4.0 23.0 7.3 102 110 A F H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.909 112.1 52.2 -61.0 -39.2 -2.4 19.5 7.7 103 111 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.893 106.8 52.0 -64.4 -40.1 -1.1 19.7 4.2 104 112 A H H X S+ 0 0 59 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 112.4 46.5 -59.5 -42.6 0.5 23.1 4.9 105 113 A Q H X S+ 0 0 27 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.890 110.4 52.1 -70.4 -37.0 2.2 21.6 8.0 106 114 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.936 109.9 49.4 -62.5 -44.3 3.4 18.6 6.1 107 115 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.904 108.6 53.1 -64.3 -38.1 4.9 20.8 3.4 108 116 A A H X S+ 0 0 32 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.914 111.9 45.7 -61.4 -42.4 6.7 22.9 6.1 109 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.896 114.5 46.9 -68.3 -41.5 8.2 19.8 7.5 110 118 A V H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.914 110.4 52.4 -68.1 -42.2 9.2 18.4 4.1 111 119 A V H X S+ 0 0 50 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.921 110.8 50.0 -56.0 -43.4 10.7 21.7 3.0 112 120 A Y H X S+ 0 0 50 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.945 112.1 45.7 -60.4 -50.6 12.7 21.7 6.2 113 121 A L H ><>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 3,-0.7 0.944 113.9 47.7 -59.5 -47.7 14.0 18.1 5.7 114 122 A H H ><5S+ 0 0 8 -4,-3.2 3,-1.5 1,-0.3 -1,-0.2 0.882 106.1 60.6 -63.2 -33.2 14.9 18.7 2.1 115 123 A G H 3<5S+ 0 0 57 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.816 108.3 42.9 -64.0 -31.5 16.7 21.9 3.1 116 124 A I T <<5S- 0 0 55 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.299 123.2-105.6 -97.8 13.7 19.0 19.9 5.3 117 125 A G T < 5S+ 0 0 1 -3,-1.5 30,-2.9 1,-0.2 31,-1.1 0.695 76.5 130.1 77.9 21.4 19.5 17.2 2.7 118 126 A I E < -J 146 0D 0 -5,-2.6 2,-0.4 28,-0.2 -1,-0.2 -0.876 39.3-162.4-110.4 135.7 17.4 14.5 4.3 119 127 A T E -J 145 0D 1 26,-2.8 26,-2.0 -2,-0.4 60,-0.1 -0.966 8.2-156.5-113.2 137.5 14.6 12.5 2.5 120 128 A H - 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