==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-05 2AYP . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.-H.LIN,P.XIA,P.KOVAR,Z.CHEN,H.ZHANG,S.H.ROSENBERG,H.L.SHAM . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 69.8 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 . 50 18.7 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 25.0 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 1 0 0 1 1 0 0 0 0 0 0 1 0 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 . 4 3 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 A 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.4 2.0 -15.6 33.4 2 3 A V + 0 0 110 10,-0.0 9,-0.1 2,-0.0 10,-0.1 -0.802 360.0 161.9-129.4 90.2 3.9 -12.5 34.4 3 4 A P - 0 0 62 0, 0.0 7,-2.8 0, 0.0 2,-0.3 -0.054 18.1-153.0 -87.8-166.7 7.6 -12.5 33.6 4 5 A F E -A 9 0A 129 5,-0.3 2,-0.5 21,-0.1 5,-0.3 -0.973 12.2-135.5-169.4 157.5 10.1 -9.5 33.3 5 6 A V E > S-A 8 0A 6 3,-3.0 3,-1.4 -2,-0.3 20,-0.0 -0.949 74.4 -39.0-128.9 113.4 13.3 -8.2 31.7 6 7 A E T 3 S- 0 0 94 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.891 129.8 -27.0 37.3 71.6 16.0 -6.4 33.6 7 8 A D T 3 S+ 0 0 112 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.388 119.8 105.5 80.0 -4.2 13.8 -4.3 36.0 8 9 A W E < -A 5 0A 38 -3,-1.4 -3,-3.0 19,-0.1 2,-0.4 -0.931 67.1-130.8-113.3 132.0 10.8 -4.2 33.5 9 10 A D E -AB 4 26A 52 17,-1.8 17,-2.9 -2,-0.4 2,-1.2 -0.633 14.6-133.8 -82.7 132.4 7.6 -6.3 34.0 10 11 A L E + B 0 25A 11 -7,-2.8 15,-0.2 -2,-0.4 3,-0.1 -0.708 29.7 174.6 -87.3 94.6 6.4 -8.3 31.0 11 12 A V E - 0 0 63 13,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.994 52.5 -29.1 -63.0 -78.8 2.7 -7.7 30.8 12 13 A Q E - B 0 24A 114 12,-0.5 12,-4.1 -10,-0.1 2,-0.6 -0.861 66.0 -84.8-139.2 173.6 1.4 -9.4 27.6 13 14 A T E - B 0 23A 51 10,-0.3 10,-0.3 -2,-0.3 3,-0.1 -0.707 29.2-175.8 -84.7 118.4 2.3 -10.5 24.1 14 15 A L E S- 0 0 68 8,-2.9 2,-0.3 -2,-0.6 9,-0.2 0.801 73.2 -18.3 -81.0 -31.8 2.0 -7.7 21.6 15 16 A G E - B 0 22A 30 7,-1.6 7,-2.8 2,-0.0 -1,-0.3 -0.960 61.0-174.7-166.7 162.2 2.8 -10.0 18.7 16 17 A E + 0 0 141 -2,-0.3 3,-0.2 5,-0.2 5,-0.2 -0.023 14.1 149.0-133.1-124.4 4.5 -13.3 18.1 17 18 A G S > S- 0 0 49 1,-0.2 3,-2.6 3,-0.1 -2,-0.0 0.045 71.0 -67.1 98.1 153.3 5.5 -15.3 15.0 18 19 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.591 123.7 78.9 -51.9 -7.4 8.2 -17.8 14.1 19 20 A Y T 3 S- 0 0 83 -3,-0.2 21,-0.5 1,-0.1 -1,-0.3 0.878 114.6-101.3 -68.2 -41.0 10.4 -14.7 14.5 20 21 A G < - 0 0 24 -3,-2.6 2,-0.2 19,-0.2 -3,-0.1 -0.764 55.1 -67.5 155.8-102.1 10.3 -15.0 18.3 21 22 A E - 0 0 86 17,-0.3 17,-2.8 -2,-0.2 2,-0.5 -0.841 22.3-145.2 176.8 145.2 8.0 -12.8 20.3 22 23 A V E -BC 15 37A 34 -7,-2.8 -8,-2.9 -2,-0.2 -7,-1.6 -0.929 20.8-172.8-124.6 106.2 7.3 -9.2 21.4 23 24 A Q E -BC 13 36A 26 13,-1.3 13,-1.5 -2,-0.5 2,-0.7 -0.770 32.1-113.1 -98.6 142.3 5.8 -8.8 24.9 24 25 A L E -BC 12 35A 15 -12,-4.1 -13,-1.8 -2,-0.3 -12,-0.5 -0.646 38.3-161.9 -73.8 115.7 4.7 -5.4 26.1 25 26 A A E +BC 10 34A 0 9,-2.1 9,-2.8 -2,-0.7 2,-0.3 -0.887 19.4 159.5-106.6 129.6 7.1 -4.5 28.9 26 27 A V E -BC 9 33A 27 -17,-2.9 -17,-1.8 -2,-0.5 2,-0.6 -0.973 32.7-133.7-141.5 151.6 6.3 -1.9 31.4 27 28 A N >> - 0 0 3 5,-1.0 4,-4.5 -2,-0.3 3,-0.8 -0.921 5.4-149.8-114.9 113.7 7.7 -1.3 34.9 28 29 A R T 34 S+ 0 0 170 -2,-0.6 -1,-0.1 1,-0.2 -20,-0.1 0.666 96.6 64.7 -50.5 -16.4 5.2 -0.6 37.6 29 30 A V T 34 S+ 0 0 95 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.960 127.1 5.8 -72.3 -53.9 7.9 1.6 39.2 30 31 A T T <4 S- 0 0 78 -3,-0.8 -2,-0.2 2,-0.1 3,-0.1 0.750 90.4-148.7 -95.0 -33.9 8.1 4.2 36.5 31 32 A E < + 0 0 149 -4,-4.5 2,-0.3 1,-0.3 -3,-0.2 0.458 41.8 150.1 75.3 5.9 5.2 2.7 34.6 32 33 A E - 0 0 127 -5,-0.3 -5,-1.0 -6,-0.0 2,-0.3 -0.540 41.4-139.3 -66.3 128.2 6.6 3.9 31.3 33 34 A A E +C 26 0A 37 -2,-0.3 52,-0.5 -7,-0.2 2,-0.3 -0.724 28.2 172.6 -93.2 143.2 5.3 1.3 28.8 34 35 A V E -CD 25 84A 7 -9,-2.8 -9,-2.1 -2,-0.3 2,-0.5 -0.959 33.2-112.2-145.7 164.5 7.6 -0.0 26.1 35 36 A A E -CD 24 83A 10 48,-4.0 48,-4.2 -2,-0.3 2,-0.5 -0.849 28.2-166.5-100.0 130.2 7.8 -2.7 23.4 36 37 A V E -CD 23 82A 0 -13,-1.5 -13,-1.3 -2,-0.5 2,-0.6 -0.942 5.3-162.3-123.8 111.3 10.3 -5.4 23.9 37 38 A K E -CD 22 81A 16 44,-2.1 44,-3.3 -2,-0.5 2,-0.9 -0.812 6.6-158.7 -92.2 124.3 11.3 -7.7 21.0 38 39 A I E - D 0 80A 14 -17,-2.8 2,-0.7 -2,-0.6 -17,-0.3 -0.748 6.4-161.0-106.0 84.0 12.9 -10.8 22.3 39 40 A V E - D 0 79A 2 40,-1.0 40,-2.1 -2,-0.9 2,-1.7 -0.536 6.6-151.9 -70.8 112.3 14.8 -12.2 19.3 40 41 A D E - D 0 78A 78 -2,-0.7 38,-0.2 -21,-0.5 7,-0.1 -0.556 18.2-158.1 -85.5 73.9 15.5 -15.9 20.1 41 42 A M - 0 0 24 -2,-1.7 2,-0.3 36,-1.5 3,-0.1 -0.064 9.2-168.7 -49.4 154.8 18.7 -16.3 18.1 42 43 A K >> - 0 0 93 1,-0.1 3,-0.8 36,-0.0 4,-0.7 -0.971 48.2 -30.3-151.5 134.1 19.6 -19.8 17.1 43 44 A R T 34 S- 0 0 200 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.138 87.0 -78.3 53.9-150.0 22.9 -21.1 15.6 44 45 A A T 34 S+ 0 0 77 -3,-0.1 -1,-0.2 3,-0.1 -3,-0.0 -0.314 113.9 72.4-140.9 48.7 24.9 -18.7 13.5 45 46 A V T <4 S+ 0 0 117 -3,-0.8 -2,-0.1 0, 0.0 -1,-0.0 0.466 105.3 6.7-141.7 -9.6 22.9 -18.9 10.3 46 47 A D S >X S+ 0 0 47 -4,-0.7 4,-1.5 0, 0.0 3,-0.6 0.457 127.1 19.7-137.6 -75.7 19.5 -17.1 10.7 47 48 A C T 34 S+ 0 0 19 -5,-0.5 4,-0.4 1,-0.2 -6,-0.2 0.880 108.7 71.3 -74.2 -42.6 18.5 -15.1 13.8 48 49 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.283 118.9 18.7 -60.5 12.6 22.0 -14.4 15.3 49 50 A E T X> S+ 0 0 80 -3,-0.6 4,-1.4 3,-0.1 3,-1.2 0.410 104.4 76.9-150.5 -34.8 22.7 -12.0 12.4 50 51 A N T 3< S+ 0 0 99 -4,-1.5 -3,-0.1 1,-0.3 4,-0.1 0.418 106.4 47.4 -65.7 6.6 19.3 -11.0 10.9 51 52 A I T 3> S+ 0 0 1 -4,-0.4 4,-2.4 2,-0.1 -1,-0.3 0.507 94.5 68.9-121.0 -20.1 19.3 -8.9 14.0 52 53 A K H <> S+ 0 0 119 -3,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.920 109.2 39.8 -66.3 -41.7 22.8 -7.4 13.9 53 54 A K H X S+ 0 0 98 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.885 112.5 58.0 -72.3 -39.3 21.7 -5.4 10.9 54 55 A E H > S+ 0 0 6 -5,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.890 108.5 44.2 -58.9 -43.1 18.3 -4.7 12.6 55 56 A I H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.894 111.6 52.6 -71.8 -40.0 19.8 -3.1 15.6 56 57 A C H X S+ 0 0 80 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.974 107.5 51.6 -58.9 -53.8 22.3 -1.0 13.7 57 58 A I H >X S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.2 4,-1.7 0.935 108.2 53.5 -46.9 -54.3 19.6 0.4 11.5 58 59 A N H 3< S+ 0 0 7 -4,-1.7 3,-0.3 1,-0.3 11,-0.3 0.911 99.6 58.4 -49.0 -54.3 17.5 1.4 14.5 59 60 A K H 3< S+ 0 0 127 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.656 109.0 49.1 -53.7 -14.6 20.3 3.4 16.2 60 61 A M H << S+ 0 0 90 -3,-2.0 -1,-0.3 -4,-0.8 -2,-0.2 0.856 96.5 86.9 -88.1 -44.2 20.3 5.5 13.0 61 62 A L < + 0 0 13 -4,-1.7 8,-0.4 -3,-0.3 2,-0.2 -0.363 40.1 149.7 -66.5 129.7 16.6 6.0 13.0 62 63 A N + 0 0 113 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.658 21.8 126.2-160.3 93.8 14.9 8.9 14.9 63 64 A H B > -F 66 0B 36 3,-0.5 3,-2.5 -2,-0.2 53,-0.0 -0.984 65.9-114.4-153.5 143.6 11.7 10.3 13.5 64 65 A E T 3 S+ 0 0 133 -2,-0.3 52,-0.1 1,-0.3 3,-0.1 0.414 117.7 50.5 -60.5 4.6 8.3 11.0 14.9 65 66 A N T 3 S+ 0 0 6 1,-0.1 80,-3.6 79,-0.1 2,-0.4 0.151 95.6 77.0-129.1 19.1 7.0 8.4 12.4 66 67 A V B < S-Fg 63 145B 2 -3,-2.5 -3,-0.5 78,-0.3 80,-0.2 -0.956 93.4-107.6-132.3 110.5 9.4 5.6 13.1 67 68 A V - 0 0 11 78,-2.2 -2,-0.1 -2,-0.4 -6,-0.1 -0.082 50.0-112.6 -36.6 118.2 8.8 3.5 16.2 68 69 A K - 0 0 107 15,-0.1 16,-2.4 1,-0.1 2,-0.7 -0.237 19.1-138.7 -64.6 146.7 11.7 4.7 18.4 69 70 A F E +E 83 0A 20 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.919 21.0 177.2-108.8 109.6 14.6 2.4 19.4 70 71 A Y E - 0 0 116 12,-1.5 2,-0.3 -2,-0.7 -1,-0.2 0.958 52.9 -75.0 -75.7 -54.3 15.6 2.8 23.0 71 72 A G E -E 82 0A 18 11,-1.0 11,-2.1 2,-0.0 2,-0.3 -0.967 37.2-112.1 179.9-165.1 18.3 0.2 23.2 72 73 A H E -E 81 0A 48 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.994 15.7-175.5-155.7 153.0 19.3 -3.5 23.3 73 74 A R E -E 80 0A 93 7,-1.5 7,-0.6 -2,-0.3 2,-0.1 -0.602 12.9-148.0-131.9-166.9 20.9 -6.0 25.7 74 75 A R E -E 79 0A 150 5,-0.2 5,-0.2 -2,-0.2 -2,-0.0 -0.444 19.5-175.6-177.0 99.9 21.9 -9.7 25.3 75 76 A E S S- 0 0 134 3,-1.4 4,-0.1 -2,-0.1 -1,-0.1 0.980 70.8 -86.5 -56.8 -58.0 21.9 -12.6 27.7 76 77 A G S S+ 0 0 46 2,-0.7 3,-0.1 -35,-0.0 -1,-0.1 -0.058 111.3 13.5-177.0 -61.6 23.5 -14.8 25.0 77 78 A N S S+ 0 0 118 1,-0.1 -36,-1.5 -37,-0.0 2,-0.5 0.804 119.8 64.9 -98.6 -48.9 20.8 -16.5 22.8 78 79 A I E S-D 40 0A 38 -38,-0.2 -3,-1.4 2,-0.0 -2,-0.7 -0.678 71.4-169.2 -80.9 120.8 17.9 -14.4 23.9 79 80 A Q E -DE 39 74A 2 -40,-2.1 -40,-1.0 -2,-0.5 2,-0.6 -0.896 12.7-137.8-113.7 145.1 18.4 -10.7 22.9 80 81 A Y E -DE 38 73A 30 -7,-0.6 -7,-1.5 -2,-0.4 2,-0.8 -0.893 9.1-163.9-110.4 121.4 16.2 -7.8 24.0 81 82 A L E -DE 37 72A 0 -44,-3.3 -44,-2.1 -2,-0.6 2,-0.6 -0.825 12.7-151.9-101.7 97.3 15.1 -5.1 21.6 82 83 A F E +DE 36 71A 18 -11,-2.1 -12,-1.5 -2,-0.8 -11,-1.0 -0.567 29.6 170.5 -72.0 117.8 13.9 -2.1 23.7 83 84 A L E -DE 35 69A 26 -48,-4.2 -48,-4.0 -2,-0.6 -14,-0.2 -0.894 37.2 -90.4-132.8 160.4 11.3 -0.3 21.5 84 85 A E E -D 34 0A 28 -16,-2.4 2,-0.4 -2,-0.3 -50,-0.2 -0.378 40.7-127.1 -66.7 139.4 8.7 2.4 21.6 85 86 A Y - 0 0 66 -52,-0.5 2,-0.5 -2,-0.1 3,-0.1 -0.753 18.1-167.6 -93.4 135.8 5.1 1.3 22.6 86 87 A C > - 0 0 10 -2,-0.4 3,-1.8 1,-0.1 51,-0.3 -0.852 2.8-172.3-124.2 90.9 2.2 2.3 20.4 87 88 A S T 3 S+ 0 0 54 -2,-0.5 51,-0.2 1,-0.3 -1,-0.1 0.833 76.5 75.9 -48.9 -41.0 -1.1 1.6 22.2 88 89 A G T 3 S- 0 0 21 1,-0.2 2,-0.3 49,-0.1 -1,-0.3 0.753 91.9-146.4 -46.1 -31.8 -3.1 2.3 19.1 89 90 A G E < -H 137 0B 28 -3,-1.8 48,-2.6 48,-0.9 2,-0.3 -0.694 41.6 -22.7 98.1-152.2 -2.2 -1.1 17.7 90 91 A E E > -H 136 0B 61 -2,-0.3 3,-1.3 46,-0.3 46,-0.3 -0.726 47.4-129.5-100.4 148.0 -1.7 -1.8 14.0 91 92 A L G > S+ 0 0 0 44,-3.5 3,-2.4 41,-0.8 42,-0.2 0.870 108.0 72.6 -58.2 -32.5 -3.1 0.3 11.1 92 93 A F G > S+ 0 0 99 40,-1.4 3,-1.2 43,-0.3 -1,-0.3 0.821 90.4 55.4 -49.7 -38.9 -4.3 -3.1 9.9 93 94 A D G < S+ 0 0 117 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.248 99.6 60.7 -84.6 15.2 -6.9 -3.3 12.7 94 95 A R G < S+ 0 0 83 -3,-2.4 2,-0.6 2,-0.0 -1,-0.3 0.131 84.7 91.1-121.2 11.8 -8.4 0.0 11.6 95 96 A I S < S- 0 0 20 -3,-1.2 6,-0.2 -4,-0.1 105,-0.1 -0.954 73.4-140.5-109.9 119.7 -9.3 -1.3 8.1 96 97 A E B >> -J 100 0C 117 4,-2.6 3,-2.7 -2,-0.6 4,-2.5 -0.701 33.9 -99.9 -83.3 125.0 -12.7 -2.8 7.9 97 98 A P T 34 S- 0 0 96 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.147 101.7 -5.8 -45.7 128.1 -12.7 -5.9 5.8 98 99 A D T 34 S+ 0 0 94 105,-2.7 105,-0.2 1,-0.2 106,-0.1 0.474 136.8 58.2 61.6 6.7 -14.0 -5.2 2.3 99 100 A I T <4 S- 0 0 112 -3,-2.7 2,-0.5 104,-0.2 104,-0.3 0.644 77.6-164.0-126.6 -52.3 -14.9 -1.6 3.3 100 101 A G B < -J 96 0C 4 -4,-2.5 -4,-2.6 102,-0.3 101,-0.2 -0.859 32.1 -60.1 109.6-128.0 -11.9 0.3 4.6 101 102 A M - 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0 0 60 -2,-0.3 -33,-0.1 1,-0.2 -9,-0.1 -0.814 25.2-140.4 -95.0 118.5 -5.8 -6.3 -1.3 206 207 A P S S- 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.875 76.2 -9.1 -39.5 -55.9 -5.9 -5.7 -5.1 207 208 A W - 0 0 2 -36,-0.2 7,-0.0 -3,-0.1 8,-0.0 -0.909 61.4-113.8-143.6 168.8 -4.1 -8.9 -6.0 208 209 A D S S- 0 0 112 1,-0.3 -36,-0.2 -2,-0.3 -1,-0.1 0.751 101.1 -16.3 -74.9 -23.9 -2.1 -11.8 -4.5 209 210 A Q - 0 0 66 -38,-0.2 2,-0.7 2,-0.1 -1,-0.3 -0.911 68.7-104.0-174.4 151.3 1.0 -10.6 -6.3 210 211 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 0.036 65.4 150.4 -74.7 31.8 1.9 -8.2 -9.2 211 212 A S > - 0 0 24 -2,-0.7 3,-1.9 1,-0.2 6,-0.2 -0.491 56.3-129.5 -68.6 130.0 2.5 -11.2 -11.4 212 213 A D T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -2,-0.3 -33,-0.0 0.618 111.4 51.4 -55.6 -9.9 1.9 -10.4 -15.0 213 214 A S T 3 S+ 0 0 92 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.655 76.5 108.2-101.1 -21.2 -0.3 -13.5 -14.9 214 215 A C X> - 0 0 17 -3,-1.9 4,-1.9 1,-0.2 3,-1.3 -0.452 67.8-143.7 -61.8 110.9 -2.4 -12.7 -11.8 215 216 A Q H 3> S+ 0 0 112 -2,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.819 96.8 53.9 -46.1 -40.9 -5.7 -12.0 -13.6 216 217 A E H 3> S+ 0 0 89 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.820 108.3 49.3 -67.9 -31.0 -6.6 -9.2 -11.2 217 218 A Y H <> S+ 0 0 1 -3,-1.3 4,-1.6 -6,-0.2 3,-0.3 0.820 107.6 54.5 -76.9 -30.9 -3.3 -7.4 -11.8 218 219 A S H < S+ 0 0 19 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.869 105.0 54.8 -69.7 -32.5 -3.8 -7.7 -15.5 219 220 A D H <>S+ 0 0 30 -4,-1.6 5,-2.1 -5,-0.2 -1,-0.2 0.717 108.0 47.4 -72.9 -22.4 -7.2 -6.0 -15.1 220 221 A W H ><5S+ 0 0 13 -4,-0.7 3,-1.0 -3,-0.3 -1,-0.2 0.782 108.2 56.1 -84.7 -29.5 -5.7 -3.1 -13.4 221 222 A K T 3<5S+ 0 0 71 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.602 104.2 56.2 -74.1 -11.6 -3.1 -2.9 -16.1 222 223 A E T 3 5S- 0 0 114 -4,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.254 115.2-115.1-113.3 42.0 -6.0 -2.7 -18.5 223 224 A K T < 5 + 0 0 149 -3,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.726 63.6 152.0 28.7 41.3 -7.5 0.4 -16.8 224 225 A K < + 0 0 59 -5,-2.1 3,-0.5 1,-0.2 -1,-0.2 -0.216 4.2 149.0 -90.0 45.7 -10.5 -1.7 -15.9 225 226 A T + 0 0 41 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.507 47.5 93.7 -58.9 -0.8 -11.1 0.4 -12.8 226 227 A Y S S+ 0 0 165 -3,-0.2 2,-0.3 4,-0.1 -1,-0.3 0.138 84.5 63.1 -79.3 25.9 -14.8 -0.4 -13.3 227 228 A L S > S- 0 0 91 -3,-0.5 4,-0.7 -8,-0.1 3,-0.5 -0.957 89.3 -36.0-145.8 162.7 -14.2 -3.2 -10.8 228 229 A N T 4 S+ 0 0 76 1,-0.3 -2,-0.1 -2,-0.3 -26,-0.0 -0.298 113.4 13.1 -62.6 146.3 -13.1 -4.0 -7.2 229 230 A P T >> S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.989 126.3 55.2 -86.4 -8.5 -11.3 -2.7 -5.4 230 231 A W G >4 S+ 0 0 9 -3,-0.5 3,-0.5 1,-0.3 -2,-0.2 0.727 101.0 62.4 -53.1 -25.3 -11.0 0.3 -7.6 231 232 A K G 3< S+ 0 0 143 -4,-0.7 -1,-0.3 1,-0.2 -3,-0.1 0.815 98.1 54.4 -71.9 -31.6 -14.7 0.9 -7.6 232 233 A K G <4 S+ 0 0 54 -3,-1.6 2,-0.3 -5,-0.1 -1,-0.2 0.632 99.5 82.0 -76.4 -12.0 -14.9 1.4 -3.8 233 234 A I S << S- 0 0 12 -4,-0.6 2,-0.2 -3,-0.5 -31,-0.1 -0.686 85.8-115.0 -95.9 146.8 -12.2 4.2 -4.2 234 235 A D > - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.580 24.4-118.4 -82.0 141.8 -12.9 7.7 -5.3 235 236 A S H > S+ 0 0 92 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.803 110.0 59.0 -47.3 -37.5 -11.5 8.9 -8.6 236 237 A A H >> S+ 0 0 6 2,-0.2 3,-1.9 1,-0.2 4,-1.0 0.995 114.5 32.5 -58.9 -71.6 -9.4 11.6 -6.8 237 238 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.786 116.1 61.7 -57.1 -20.8 -7.4 9.3 -4.6 238 239 A L H 3X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.818 94.8 61.5 -72.9 -27.9 -7.7 6.8 -7.5 239 240 A A H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 3,-0.7 0.883 108.9 52.0 -70.1 -40.9 -2.8 9.0 -7.3 241 242 A L H >X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.3 3,-0.9 0.938 102.8 59.7 -61.8 -42.8 -3.0 5.2 -7.3 242 243 A H H 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.790 111.7 41.5 -53.2 -29.6 -2.9 5.3 -11.1 243 244 A K H << S+ 0 0 83 -4,-0.7 10,-2.2 -3,-0.7 3,-0.3 0.615 119.5 44.1 -93.9 -15.8 0.4 7.1 -10.7 244 245 A I H << S+ 0 0 1 -4,-1.3 2,-3.3 -3,-0.9 -2,-0.2 0.911 105.4 54.4 -92.7 -59.9 1.7 4.9 -8.0 245 246 A L S < S+ 0 0 5 -4,-2.4 2,-0.5 -5,-0.1 -1,-0.2 -0.172 79.9 143.8 -72.9 52.6 0.9 1.3 -9.0 246 247 A V - 0 0 36 -2,-3.3 6,-0.2 -3,-0.3 -3,-0.1 -0.821 47.8-140.3 -95.0 130.0 2.7 2.0 -12.3 247 248 A E S S+ 0 0 73 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.939 82.9 70.6 -59.2 -61.7 4.7 -0.9 -13.6 248 249 A N S >> S- 0 0 80 1,-0.2 3,-2.0 3,-0.1 4,-1.0 -0.474 75.4-148.4 -62.7 110.8 7.9 0.5 -15.0 249 250 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.529 96.0 60.9 -58.3 -1.2 9.6 1.4 -11.7 250 251 A S T 34 S+ 0 0 99 1,-0.1 -2,-0.1 -63,-0.0 -3,-0.1 0.731 107.4 39.5 -96.1 -27.6 11.2 4.2 -13.7 251 252 A A T <4 S+ 0 0 66 -3,-2.0 -1,-0.1 2,-0.1 3,-0.1 0.413 90.0 117.0-100.8 -2.4 8.0 5.9 -14.7 252 253 A R S < S- 0 0 11 -4,-1.0 -8,-0.2 -6,-0.2 2,-0.1 -0.259 79.0 -93.8 -64.6 155.0 6.4 5.3 -11.3 253 254 A I - 0 0 21 -10,-2.2 2,-0.3 -13,-0.1 -1,-0.1 -0.440 40.8-131.1 -71.7 147.2 5.5 8.5 -9.4 254 255 A T >> - 0 0 69 1,-0.1 4,-1.5 -2,-0.1 3,-0.7 -0.743 21.9-109.1 -99.2 149.1 8.2 9.5 -6.9 255 256 A I H >> S+ 0 0 12 -2,-0.3 4,-1.0 1,-0.3 3,-1.0 0.873 119.0 54.3 -41.6 -50.4 7.6 10.4 -3.3 256 257 A P H >4 S+ 0 0 75 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.907 109.2 46.8 -52.1 -47.7 8.2 14.2 -4.0 257 258 A D H X4 S+ 0 0 76 -3,-0.7 3,-0.7 1,-0.3 -2,-0.2 0.688 102.3 65.3 -71.0 -17.2 5.7 14.2 -6.8 258 259 A I H X< S+ 0 0 2 -4,-1.5 3,-1.2 -3,-1.0 -1,-0.3 0.772 94.5 59.6 -74.5 -23.7 3.2 12.4 -4.6 259 260 A K T << S+ 0 0 85 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.600 102.9 53.2 -79.2 -8.9 3.2 15.5 -2.4 260 261 A K T < S+ 0 0 156 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.2 0.072 82.8 120.0-110.1 20.5 2.0 17.5 -5.4 261 262 A D <> - 0 0 5 -3,-1.2 4,-1.8 1,-0.1 5,-0.1 -0.624 68.2-127.6 -86.4 146.9 -1.0 15.3 -6.1 262 263 A R T 4 S+ 0 0 146 -2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.958 108.9 45.3 -58.5 -52.6 -4.4 16.8 -6.1 263 264 A W T >4 S+ 0 0 0 -27,-0.3 3,-2.0 1,-0.2 -1,-0.2 0.926 109.2 57.8 -57.3 -44.2 -5.9 14.2 -3.7 264 265 A Y T 34 S+ 0 0 16 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.870 112.8 38.4 -52.7 -43.3 -2.9 14.5 -1.5 265 266 A N T 3< S+ 0 0 101 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.000 87.9 124.3 -99.3 27.6 -3.4 18.2 -0.9 266 267 A K < - 0 0 57 -3,-2.0 2,-0.2 -5,-0.1 -159,-0.0 -0.784 67.1-124.9 -93.9 111.3 -7.1 18.0 -0.8 267 268 A P 0 0 129 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.349 360.0 360.0 -54.0 116.4 -8.5 19.5 2.4 268 269 A L 0 0 102 -2,-0.2 0, 0.0 -164,-0.1 0, 0.0 -0.942 360.0 360.0-127.2 360.0 -10.6 16.6 3.8