==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAR-06 2GHG . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.PARK . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 64.7 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 . 37 13.8 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 . 1 0.4 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-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 . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 21.9 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+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 1 0 0 1 0 0 1 1 0 0 0 0 1 0 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 . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 2 A A 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 -20.4 19.3 -41.1 2 3 A V > - 0 0 92 1,-0.1 3,-0.7 2,-0.0 2,-0.1 -0.422 360.0-116.3 -65.8 135.0 -16.7 18.6 -41.7 3 4 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.442 88.4 14.7 -76.2 148.3 -16.0 15.1 -43.0 4 5 A F T 3 S+ 0 0 111 -2,-0.1 24,-0.4 1,-0.1 3,-0.2 0.761 82.4 125.1 63.6 31.3 -14.0 12.5 -41.0 5 6 A V < + 0 0 50 -3,-0.7 -1,-0.1 1,-0.2 24,-0.1 0.452 66.2 57.2 -98.5 -0.5 -14.2 14.4 -37.7 6 7 A E S S+ 0 0 160 21,-0.1 2,-0.6 22,-0.0 -1,-0.2 0.415 85.8 96.5-105.8 -2.5 -15.7 11.5 -35.7 7 8 A D - 0 0 71 -3,-0.2 21,-0.5 2,-0.0 2,-0.5 -0.810 50.3-177.5 -96.7 117.5 -12.8 9.1 -36.5 8 9 A W E -A 27 0A 65 -2,-0.6 19,-0.2 19,-0.2 2,-0.2 -0.956 20.0-134.7-116.8 129.0 -10.0 8.8 -33.9 9 10 A D E -A 26 0A 87 17,-2.7 17,-1.9 -2,-0.5 2,-0.9 -0.491 13.4-130.0 -79.7 148.2 -7.0 6.5 -34.5 10 11 A L E +A 25 0A 117 15,-0.2 15,-0.2 1,-0.2 3,-0.1 -0.782 37.5 161.9-102.9 90.8 -5.8 4.2 -31.8 11 12 A V E - 0 0 100 13,-1.4 2,-0.3 -2,-0.9 -1,-0.2 0.959 57.6 -17.2 -70.0 -89.7 -2.0 4.8 -31.5 12 13 A Q E - 0 0 110 12,-0.3 12,-2.8 2,-0.0 2,-0.3 -0.770 66.4-102.5-121.1 166.7 -0.8 3.4 -28.2 13 14 A T E -A 23 0A 58 -2,-0.3 10,-0.2 10,-0.2 3,-0.0 -0.648 16.5-159.0 -86.4 141.5 -2.2 2.4 -24.8 14 15 A L S S- 0 0 65 8,-2.6 2,-0.2 -2,-0.3 9,-0.2 0.702 72.8 -22.6 -91.5 -22.8 -1.9 4.8 -21.9 15 16 A G - 0 0 32 7,-0.8 2,-0.2 2,-0.0 -2,-0.1 -0.579 56.5-139.9-153.4-144.0 -2.4 2.1 -19.3 16 17 A E + 0 0 186 -2,-0.2 2,-0.3 -3,-0.0 5,-0.2 -0.525 36.0 109.1 163.2 128.5 -3.8 -1.4 -18.7 17 18 A G S S- 0 0 55 3,-0.9 3,-0.1 -2,-0.2 -2,-0.0 -0.981 74.2 -55.2 179.4-166.9 -5.7 -3.0 -15.8 18 19 A A S S+ 0 0 122 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.387 121.1 64.7 -78.6 2.7 -8.8 -4.4 -14.1 19 20 A Y S S- 0 0 108 1,-0.1 21,-0.5 20,-0.1 2,-0.2 0.865 114.4 -98.7 -90.7 -46.1 -10.5 -1.1 -14.9 20 21 A G - 0 0 30 19,-0.2 -3,-0.9 -3,-0.1 19,-0.1 -0.704 50.3 -56.0 168.4-111.8 -10.4 -1.4 -18.7 21 22 A E - 0 0 93 -2,-0.2 2,-1.1 -5,-0.2 17,-0.4 -0.491 34.1-161.1-171.6 91.2 -8.1 0.0 -21.3 22 23 A V - 0 0 45 15,-0.2 -8,-2.6 -2,-0.1 -7,-0.8 -0.680 21.7-171.8 -82.6 102.3 -7.5 3.7 -21.7 23 24 A Q E -AB 13 36A 18 13,-2.6 13,-3.7 -2,-1.1 2,-0.8 -0.590 28.0-113.1 -92.9 156.5 -6.1 4.1 -25.2 24 25 A L E - B 0 35A 14 -12,-2.8 -13,-1.4 11,-0.2 2,-0.4 -0.806 35.7-162.0 -91.4 108.9 -4.6 7.3 -26.7 25 26 A A E -AB 10 34A 1 9,-3.4 9,-4.1 -2,-0.8 2,-0.4 -0.745 6.3-167.5 -95.7 138.9 -6.9 8.5 -29.4 26 27 A V E -AB 9 33A 30 -17,-1.9 -17,-2.7 -2,-0.4 7,-0.2 -0.967 27.2-108.1-123.8 139.0 -5.8 11.0 -32.1 27 28 A N E -A 8 0A 6 5,-1.6 -18,-0.2 -2,-0.4 -19,-0.2 -0.030 13.7-138.7 -58.9 170.6 -8.2 12.8 -34.5 28 29 A R S S+ 0 0 125 -21,-0.5 -1,-0.1 -24,-0.4 -23,-0.1 0.530 99.0 23.8-106.7 -14.4 -8.3 11.8 -38.2 29 30 A V S S+ 0 0 63 -22,-0.2 -24,-0.1 -24,-0.1 -25,-0.0 0.750 137.2 22.9-115.3 -54.9 -8.5 15.4 -39.4 30 31 A T S S- 0 0 91 2,-0.1 3,-0.1 -25,-0.1 -25,-0.1 0.577 91.1-130.1 -93.0 -13.9 -7.1 17.8 -36.8 31 32 A E + 0 0 151 1,-0.2 2,-0.4 -5,-0.1 -3,-0.0 0.780 42.6 173.9 66.4 26.5 -4.9 15.2 -35.0 32 33 A E - 0 0 99 -6,-0.1 -5,-1.6 1,-0.1 2,-0.3 -0.532 26.0-133.7 -67.2 121.5 -6.4 16.4 -31.8 33 34 A A E +B 26 0A 40 -2,-0.4 52,-0.6 -7,-0.2 2,-0.3 -0.636 34.4 160.7 -86.4 137.1 -5.1 14.0 -29.1 34 35 A V E -BC 25 84A 2 -9,-4.1 -9,-3.4 -2,-0.3 2,-0.4 -0.982 34.1-122.4-149.3 156.1 -7.5 12.5 -26.5 35 36 A A E -BC 24 83A 11 48,-2.2 48,-2.3 -2,-0.3 2,-0.5 -0.821 22.4-158.5-102.3 140.8 -7.5 9.5 -24.1 36 37 A V E -BC 23 82A 6 -13,-3.7 -13,-2.6 -2,-0.4 2,-0.5 -0.959 5.2-153.6-127.3 119.1 -10.3 6.9 -24.3 37 38 A K E - C 0 81A 14 44,-2.2 44,-2.3 -2,-0.5 2,-0.6 -0.757 5.1-160.2 -88.6 126.9 -11.2 4.6 -21.4 38 39 A I + 0 0 25 -2,-0.5 42,-0.2 -17,-0.4 -16,-0.1 -0.512 16.9 179.8-107.3 63.7 -12.8 1.4 -22.6 39 40 A V - 0 0 6 -2,-0.6 40,-2.7 40,-0.4 2,-0.5 -0.345 16.6-144.6 -63.9 143.0 -14.6 0.2 -19.5 40 41 A D B -D 78 0A 64 -21,-0.5 2,-0.9 38,-0.2 38,-0.2 -0.938 4.3-152.7-118.9 114.4 -16.5 -3.1 -20.0 41 42 A M + 0 0 27 36,-1.8 2,-0.1 -2,-0.5 37,-0.0 -0.740 33.8 174.5 -84.4 106.5 -19.8 -3.8 -18.3 42 43 A K > - 0 0 102 -2,-0.9 3,-0.6 35,-0.0 5,-0.2 -0.401 33.6 -3.5-107.7-176.3 -19.8 -7.6 -17.9 43 44 A R T 3 S- 0 0 193 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.040 98.2 -66.0 35.3-124.3 -21.9 -10.4 -16.3 44 45 A A T 3 S+ 0 0 94 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.093 112.1 32.4-150.1 31.9 -25.0 -9.2 -14.3 45 46 A V S < S+ 0 0 113 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.1 -0.225 93.0 54.7 171.0 91.1 -23.8 -7.3 -11.2 46 47 A D S > S+ 0 0 83 -3,-0.1 4,-0.6 -4,-0.1 3,-0.4 -0.250 101.5 19.7-178.6 -84.4 -20.6 -5.1 -10.9 47 48 A C H >>S+ 0 0 14 -5,-0.2 4,-3.1 1,-0.2 5,-0.6 0.827 96.0 84.8 -83.2 -35.9 -19.7 -2.2 -13.2 48 49 A P H 45S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 0.668 107.5 31.8 -41.3 -20.7 -23.1 -1.3 -14.8 49 50 A E H >5S+ 0 0 93 -3,-0.4 4,-1.2 2,-0.1 -2,-0.2 0.701 118.7 51.7-108.7 -32.6 -23.7 0.9 -11.7 50 51 A N H X5S+ 0 0 93 -4,-0.6 4,-1.0 -3,-0.3 -3,-0.1 0.718 111.5 46.8 -79.0 -24.4 -20.1 1.9 -10.9 51 52 A I H X5S+ 0 0 3 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.769 107.7 57.9 -86.5 -29.0 -19.4 3.2 -14.4 52 53 A K H >X S+ 0 0 6 -4,-1.0 4,-2.8 2,-0.2 3,-0.6 0.977 116.2 41.7 -58.6 -56.8 -18.3 7.9 -12.8 55 56 A I H 3< S+ 0 0 5 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.876 113.7 55.7 -57.2 -37.0 -19.9 9.0 -16.0 56 57 A C H 3< S+ 0 0 83 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.813 112.9 40.6 -66.3 -31.5 -22.6 10.7 -14.0 57 58 A I H XX S+ 0 0 6 -4,-2.1 3,-1.6 -3,-0.6 4,-0.9 0.864 100.9 65.9 -85.9 -41.6 -19.9 12.7 -12.0 58 59 A N T 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.596 90.1 74.1 -58.4 -6.5 -17.5 13.6 -14.8 59 60 A K T 34 S+ 0 0 130 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.087 97.5 44.6 -93.8 22.0 -20.5 15.6 -16.1 60 61 A M T <4 S+ 0 0 90 -3,-1.6 -2,-0.2 0, 0.0 -1,-0.2 0.532 87.2 102.6-129.4 -35.8 -19.9 18.2 -13.4 61 62 A L < + 0 0 15 -4,-0.9 8,-0.2 6,-0.1 5,-0.0 -0.135 31.6 152.9 -54.2 146.6 -16.2 18.7 -13.5 62 63 A N + 0 0 136 6,-0.1 2,-0.3 -3,-0.0 5,-0.1 -0.197 26.5 113.4-178.1 71.0 -14.9 21.9 -15.2 63 64 A H > - 0 0 42 3,-0.3 3,-1.6 1,-0.0 53,-0.0 -0.990 69.2-118.6-147.4 150.0 -11.5 23.1 -14.0 64 65 A E T 3 S+ 0 0 137 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.429 113.9 57.2 -71.0 5.0 -8.0 23.4 -15.5 65 66 A N T 3 S+ 0 0 14 79,-0.1 80,-1.6 50,-0.1 2,-0.4 0.060 96.5 69.9-121.5 22.7 -6.9 21.0 -12.8 66 67 A V B < S-f 145 0B 3 -3,-1.6 -3,-0.3 78,-0.2 80,-0.2 -0.991 99.1 -87.4-144.0 133.3 -9.2 18.1 -13.4 67 68 A V - 0 0 4 78,-1.9 -6,-0.1 -2,-0.4 -2,-0.1 -0.105 54.7-124.1 -39.1 105.5 -9.2 15.6 -16.3 68 69 A K - 0 0 88 17,-0.1 16,-2.8 15,-0.1 2,-0.3 -0.245 23.6-135.4 -58.0 143.6 -11.5 17.5 -18.8 69 70 A F E +E 83 0A 37 14,-0.2 14,-0.2 -8,-0.2 -1,-0.1 -0.741 31.1 166.1-104.1 151.6 -14.5 15.6 -19.9 70 71 A Y E - 0 0 92 12,-1.4 2,-0.3 1,-0.3 13,-0.1 0.598 50.9 -88.9-127.3 -51.8 -15.9 15.2 -23.4 71 72 A G E -E 82 0A 22 11,-0.9 11,-2.0 2,-0.0 -1,-0.3 -0.988 28.3-116.1 167.6-159.0 -18.4 12.5 -23.5 72 73 A H E -E 81 0A 46 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.947 6.7-151.9-162.6 173.0 -19.1 8.8 -24.0 73 74 A R E -E 80 0A 131 7,-0.8 7,-0.5 -2,-0.3 2,-0.1 -0.713 17.9-139.0-163.0 103.4 -20.9 6.4 -26.3 74 75 A R E +E 79 0A 124 -2,-0.2 5,-0.2 5,-0.2 3,-0.1 -0.404 19.3 178.1 -69.5 136.5 -22.3 3.0 -25.2 75 76 A E E > -E 78 0A 94 3,-1.2 3,-1.0 -2,-0.1 2,-1.0 -0.447 62.8 -84.0-133.1 56.9 -22.0 -0.0 -27.5 76 77 A G T 3 S- 0 0 58 1,-0.3 -35,-0.1 -36,-0.0 -1,-0.1 -0.690 111.6 -5.1 81.1-104.9 -23.5 -2.7 -25.3 77 78 A N T 3 S+ 0 0 93 -2,-1.0 -36,-1.8 -3,-0.1 2,-0.8 0.858 120.3 81.6 -89.3 -41.9 -20.7 -3.8 -23.1 78 79 A I E < -DE 40 75A 62 -3,-1.0 -3,-1.2 -38,-0.2 2,-0.4 -0.560 61.7-176.7 -73.3 108.3 -17.9 -1.7 -24.6 79 80 A Q E - E 0 74A 0 -40,-2.7 2,-0.5 -2,-0.8 -40,-0.4 -0.876 10.7-153.0-107.7 137.2 -18.1 1.8 -23.2 80 81 A Y E - E 0 73A 62 -7,-0.5 -7,-0.8 -2,-0.4 2,-0.5 -0.940 3.8-162.2-116.0 129.3 -15.8 4.6 -24.3 81 82 A L E -CE 37 72A 1 -44,-2.3 -44,-2.2 -2,-0.5 2,-0.9 -0.942 6.4-155.0-113.5 118.4 -14.8 7.6 -22.2 82 83 A F E +CE 36 71A 45 -11,-2.0 -12,-1.4 -2,-0.5 -11,-0.9 -0.789 27.5 164.2 -95.9 100.9 -13.3 10.6 -23.9 83 84 A L E -CE 35 69A 20 -48,-2.3 -48,-2.2 -2,-0.9 -14,-0.2 -0.905 47.7 -79.4-121.5 147.1 -11.2 12.5 -21.4 84 85 A E E -C 34 0A 21 -16,-2.8 -50,-0.2 -2,-0.3 -1,-0.0 -0.128 50.8-129.2 -44.0 117.9 -8.5 15.2 -21.8 85 86 A Y - 0 0 62 -52,-0.6 2,-0.3 -60,-0.1 -17,-0.1 -0.134 17.0-152.6 -65.8 166.6 -5.2 13.6 -22.9 86 87 A C > - 0 0 13 52,-0.1 3,-0.7 1,-0.1 52,-0.2 -0.911 18.9-175.0-147.9 115.1 -2.0 14.3 -21.1 87 88 A S T 3 S+ 0 0 67 -2,-0.3 51,-0.2 1,-0.2 3,-0.1 0.562 83.3 73.4 -84.9 -8.8 1.5 14.2 -22.7 88 89 A G T 3 S- 0 0 9 49,-0.8 -1,-0.2 1,-0.2 50,-0.2 0.156 90.8-151.5 -89.9 20.0 3.0 14.9 -19.3 89 90 A G < - 0 0 40 -3,-0.7 48,-2.0 48,-0.2 -1,-0.2 0.040 41.5 -34.0 44.4-151.7 2.2 11.4 -18.1 90 91 A E B > -G 136 0C 66 46,-0.2 3,-0.6 1,-0.1 46,-0.2 -0.555 46.2-125.0 -96.8 163.2 1.6 10.8 -14.4 91 92 A L G > S+ 0 0 1 44,-1.5 3,-1.9 41,-1.2 4,-0.3 0.705 105.3 79.4 -77.1 -18.6 3.3 12.6 -11.5 92 93 A F G > S+ 0 0 95 40,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.820 92.5 45.8 -56.5 -36.2 4.2 9.1 -10.4 93 94 A D G < S+ 0 0 128 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.391 103.2 67.1 -89.6 3.7 7.0 8.9 -13.0 94 95 A R G < S+ 0 0 93 -3,-1.9 2,-0.5 2,-0.1 -1,-0.2 0.360 84.0 87.6-101.4 2.3 8.1 12.4 -11.9 95 96 A I S < S- 0 0 29 -3,-0.7 6,-0.2 -4,-0.3 105,-0.1 -0.906 71.1-142.6-106.9 123.6 9.2 11.2 -8.4 96 97 A E B >> -I 100 0D 117 4,-2.2 3,-1.5 -2,-0.5 4,-1.4 -0.613 30.6-102.9 -83.1 141.7 12.7 9.8 -7.9 97 98 A P T 34 S- 0 0 89 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.403 99.7 -5.9 -65.6 136.5 13.0 6.8 -5.5 98 99 A D T 34 S+ 0 0 99 105,-2.7 105,-0.3 1,-0.2 106,-0.1 0.736 136.5 63.0 49.2 24.7 14.3 7.6 -2.1 99 100 A I T <4 S- 0 0 104 -3,-1.5 2,-0.5 104,-0.1 104,-0.3 0.521 72.9-164.5-135.0 -65.8 14.8 11.2 -3.4 100 101 A G B < -I 96 0D 3 -4,-1.4 -4,-2.2 102,-0.2 101,-0.2 -0.920 34.4 -75.3 110.8-124.8 11.8 13.1 -4.5 101 102 A M - 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0 0 192 -3,-0.1 -3,-0.2 2,-0.0 -1,-0.1 -0.552 56.2-147.9-141.5 72.9 -26.3 18.6 3.9 160 161 A E - 0 0 54 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.3 -0.093 10.5-151.0 -44.4 132.2 -23.0 16.8 4.3 161 162 A R - 0 0 107 -7,-3.8 2,-0.1 -8,-0.0 24,-0.1 -0.871 12.4-132.0-106.3 138.5 -23.5 13.1 4.4 162 163 A L - 0 0 54 -2,-0.4 22,-0.2 22,-0.1 2,-0.2 -0.428 23.1-131.7 -86.4 169.6 -20.9 11.1 6.4 163 164 A L B +K 183 0F 7 20,-3.4 20,-1.2 21,-0.1 -1,-0.1 -0.490 33.4 169.3-115.7-173.7 -19.2 8.0 4.9 164 165 A N + 0 0 101 18,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.248 45.2 116.7-166.0 -27.2 -18.4 4.4 5.8 165 166 A K - 0 0 98 1,-0.1 2,-1.5 2,-0.0 -1,-0.1 -0.432 53.4-151.8 -62.6 114.7 -17.2 2.8 2.6 166 167 A M + 0 0 116 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.1 -0.496 44.0 136.6 -88.1 66.6 -13.6 1.8 3.1 167 168 A C + 0 0 24 -2,-1.5 2,-0.2 -17,-0.1 -2,-0.0 -0.947 31.7 77.0-119.5 116.5 -12.4 2.1 -0.5 168 169 A G S S- 0 0 37 -2,-0.6 2,-0.4 -39,-0.1 -39,-0.1 -0.685 84.2 -52.5-170.1-133.1 -9.1 3.7 -1.2 169 170 A T > - 0 0 28 -2,-0.2 4,-2.1 -41,-0.1 3,-0.1 -0.934 39.7-136.4-140.1 110.9 -5.4 3.0 -0.9 170 171 A L T 4 S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.2 38,-0.1 0.744 101.9 40.4 -35.1 -49.5 -3.9 1.7 2.4 171 172 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 0.975 124.9 37.5 -69.0 -50.1 -0.8 3.8 2.4 172 173 A Y T 4 S+ 0 0 22 -3,-0.1 -2,-0.2 36,-0.1 -42,-0.2 0.510 97.4 105.8 -76.6 -8.4 -2.5 7.0 1.1 173 174 A V S < S- 0 0 11 -4,-2.1 16,-0.1 1,-0.1 -5,-0.1 -0.442 77.8-106.2 -76.5 149.1 -5.7 6.3 3.1 174 175 A A - 0 0 0 -2,-0.1 -1,-0.1 1,-0.1 14,-0.0 -0.162 21.8-123.4 -66.5 168.9 -6.5 8.3 6.2 175 176 A P S > S+ 0 0 5 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.779 107.5 55.0 -85.4 -33.9 -6.1 6.8 9.7 176 177 A E G >> S+ 0 0 9 1,-0.3 4,-2.3 2,-0.1 3,-1.6 0.740 93.9 71.5 -73.6 -20.4 -9.6 7.4 10.9 177 178 A L G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 6,-0.0 0.669 101.9 45.7 -67.2 -14.0 -10.9 5.5 7.9 178 179 A L G <4 S+ 0 0 58 -3,-1.1 -1,-0.3 32,-0.2 -2,-0.1 -0.189 121.9 34.3-117.8 37.3 -9.5 2.5 9.7 179 180 A K T <4 S+ 0 0 126 -3,-1.6 2,-0.4 1,-0.4 -2,-0.2 0.440 99.2 65.3-154.7 -44.4 -10.9 3.2 13.1 180 181 A R < - 0 0 146 -4,-2.3 -1,-0.4 1,-0.1 3,-0.0 -0.778 64.3-140.8 -98.2 138.8 -14.3 4.9 13.2 181 182 A R S S+ 0 0 212 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.901 92.4 21.5 -61.2 -40.7 -17.4 3.2 11.9 182 183 A E S S+ 0 0 100 -3,-0.1 2,-0.3 -18,-0.0 -18,-0.2 -0.885 75.8 163.3-125.7 158.2 -18.6 6.5 10.4 183 184 A F B -K 163 0F 17 -20,-1.2 -20,-3.4 -2,-0.3 -6,-0.0 -0.982 38.0 -92.1-170.4 156.9 -16.7 9.6 9.4 184 185 A H - 0 0 99 -2,-0.3 4,-0.1 -22,-0.2 -21,-0.1 0.012 29.9-144.9 -62.6-179.3 -16.6 12.9 7.4 185 186 A A S > S+ 0 0 0 -24,-0.1 4,-1.0 2,-0.1 -57,-0.2 0.691 81.6 66.9-122.7 -34.3 -15.2 12.9 3.9 186 187 A E H >> S+ 0 0 61 1,-0.2 3,-1.4 2,-0.2 4,-1.2 0.972 100.2 52.0 -54.6 -60.0 -13.4 16.1 3.2 187 188 A P H >> S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 3,-1.3 0.901 99.3 61.7 -40.5 -64.0 -10.6 15.5 5.7 188 189 A V H 3> S+ 0 0 14 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.792 104.7 50.9 -34.7 -42.3 -9.7 12.0 4.4 189 190 A D H X S+ 0 0 0 -4,-2.1 3,-3.6 2,-0.2 4,-1.3 0.996 113.5 40.8 -59.1 -72.1 3.8 15.8 -0.7 198 199 A T H 3X>S+ 0 0 3 -4,-1.9 4,-3.9 1,-0.3 5,-0.7 0.834 110.6 62.7 -46.0 -33.4 6.2 13.7 1.3 199 200 A A H 3<5S+ 0 0 4 -4,-3.8 -1,-0.3 -5,-0.3 4,-0.3 0.801 112.5 34.5 -63.0 -27.9 6.0 11.3 -1.6 200 201 A M H <<5S+ 0 0 1 -3,-3.6 -99,-0.9 -4,-1.0 -1,-0.3 0.411 123.3 49.0-101.7 -4.6 7.4 14.1 -3.7 201 202 A L H <5S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.655 127.2 20.1-106.0 -23.9 9.5 15.2 -0.8 202 203 A A T <5S- 0 0 4 -4,-3.9 -102,-0.2 -5,-0.3 -3,-0.2 0.503 90.1-130.9-121.5 -14.3 11.1 11.9 0.2 203 204 A G S S- 0 0 22 -2,-3.4 3,-2.8 1,-0.1 7,-0.2 -0.942 71.3-124.9-123.2 143.0 -2.4 1.9 12.1 212 213 A D T 3 S+ 0 0 113 -2,-0.4 6,-0.1 1,-0.3 -1,-0.1 0.650 109.1 71.3 -55.4 -16.0 -0.7 1.7 15.4 213 214 A S T 3 S+ 0 0 104 1,-0.1 2,-0.7 4,-0.1 -1,-0.3 0.475 80.9 89.0 -81.3 -2.3 0.4 -1.8 14.3 214 215 A C S <> S- 0 0 11 -3,-2.8 4,-1.7 1,-0.2 -1,-0.1 -0.865 75.4-138.4-107.8 111.0 2.8 -0.3 11.8 215 216 A Q H >> S+ 0 0 119 -2,-0.7 3,-2.7 1,-0.2 4,-0.9 0.762 94.5 31.2 -19.3-100.9 6.3 0.4 13.0 216 217 A E H >> S+ 0 0 15 1,-0.3 4,-2.2 2,-0.2 3,-1.2 0.832 112.6 64.0 -35.7 -54.2 7.3 3.8 11.7 217 218 A Y H 3> S+ 0 0 4 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.851 101.1 53.4 -43.4 -39.0 3.8 5.1 11.7 218 219 A S H XX S+ 0 0 36 -3,-2.7 4,-1.2 -4,-1.7 3,-0.9 0.909 108.4 49.4 -63.1 -41.5 4.0 4.7 15.5 219 220 A D H <<>S+ 0 0 40 -3,-1.2 5,-2.4 -4,-0.9 4,-0.4 0.839 97.1 66.9 -67.4 -36.0 7.2 6.8 15.6 220 221 A W H 3<5S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.761 103.0 51.0 -57.7 -21.5 5.7 9.6 13.5 221 222 A K H <<5S+ 0 0 78 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.925 101.5 55.3 -80.7 -48.9 3.5 10.2 16.6 222 223 A E T <5S- 0 0 131 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.470 119.4-114.2 -63.7 2.6 6.2 10.3 19.2 223 224 A K T 5 + 0 0 154 -4,-0.4 2,-1.8 1,-0.2 3,-0.3 0.758 58.5 164.2 67.9 26.1 7.5 13.0 16.9 224 225 A K < + 0 0 65 -5,-2.4 -1,-0.2 1,-0.2 6,-0.2 -0.575 14.0 141.0 -76.3 86.8 10.5 10.9 16.1 225 226 A T > + 0 0 44 -2,-1.8 3,-1.1 -3,-0.1 -1,-0.2 0.571 22.3 129.0-102.7 -13.2 11.7 12.8 13.0 226 227 A Y T 3 S- 0 0 145 -3,-0.3 5,-0.1 1,-0.3 4,-0.1 -0.210 97.1 -33.8 -48.8 116.2 15.4 12.5 13.7 227 228 A L T 3 S+ 0 0 132 3,-0.1 -1,-0.3 4,-0.1 4,-0.2 0.462 106.4 131.5 46.6 5.7 17.0 11.1 10.6 228 229 A N S X S- 0 0 31 -3,-1.1 3,-1.2 2,-0.2 4,-0.2 -0.062 87.2 -73.7 -71.3-177.0 13.8 9.1 9.8 229 230 A P G > S+ 0 0 37 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.743 135.5 67.9 -54.2 -17.4 12.3 9.2 6.3 230 231 A W G 3 S+ 0 0 6 1,-0.2 -2,-0.2 -6,-0.2 -3,-0.1 -0.081 77.9 87.9 -90.5 34.3 11.1 12.7 7.4 231 232 A K G < S+ 0 0 115 -3,-1.2 -1,-0.2 -4,-0.2 -4,-0.1 0.640 79.7 55.8-101.9 -23.7 14.8 13.7 7.3 232 233 A K S < S+ 0 0 79 -3,-0.9 2,-0.7 -4,-0.2 -2,-0.1 0.413 93.6 85.7 -87.8 0.5 14.9 14.6 3.7 233 234 A I S S- 0 0 8 -4,-0.1 -1,-0.1 -31,-0.0 -31,-0.1 -0.902 79.1-136.2-108.1 109.0 12.0 17.0 4.4 234 235 A D > - 0 0 88 -2,-0.7 4,-2.8 1,-0.1 5,-0.3 -0.070 28.3-103.3 -56.8 161.2 13.1 20.4 5.6 235 236 A S H > S+ 0 0 78 1,-0.2 4,-3.8 2,-0.2 5,-0.4 0.931 114.8 72.7 -51.6 -50.1 11.3 22.0 8.5 236 237 A A H 4 S+ 0 0 7 1,-0.2 27,-0.4 2,-0.2 4,-0.3 0.855 116.2 17.8 -31.7 -63.3 9.5 24.4 6.1 237 238 A P H >> S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-1.9 0.907 120.2 61.7 -82.9 -40.3 7.3 21.5 4.8 238 239 A L H 3X S+ 0 0 13 -4,-2.8 4,-1.3 1,-0.3 -2,-0.2 0.831 100.6 58.1 -53.9 -30.2 7.7 19.0 7.6 239 240 A A H 3X S+ 0 0 47 -4,-3.8 4,-0.8 -5,-0.3 -1,-0.3 0.766 107.5 47.3 -69.6 -24.3 6.2 21.6 9.8 240 241 A L H <> S+ 0 0 0 -3,-2.2 4,-2.5 -5,-0.4 -2,-0.2 0.783 108.3 53.3 -84.4 -31.8 3.2 21.5 7.5 241 242 A L H X S+ 0 0 0 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.715 101.5 61.0 -75.5 -22.7 3.0 17.7 7.5 242 243 A H H < S+ 0 0 78 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.928 113.7 36.1 -66.3 -44.0 3.0 17.9 11.3 243 244 A K H < S+ 0 0 91 -4,-0.8 10,-1.0 -5,-0.1 3,-0.3 0.828 122.1 47.2 -76.6 -37.0 -0.3 19.8 11.0 244 245 A I H < S+ 0 0 0 -4,-2.5 2,-3.4 1,-0.2 -3,-0.2 0.972 106.5 50.7 -66.6 -84.6 -1.5 17.9 7.9 245 246 A L S < S+ 0 0 3 -4,-0.8 2,-0.4 -54,-0.1 -1,-0.2 -0.222 83.3 161.0 -55.4 66.9 -0.9 14.2 8.8 246 247 A V - 0 0 32 -2,-3.4 5,-0.1 -3,-0.3 -3,-0.1 -0.801 43.6-136.9-101.2 136.6 -2.7 14.6 12.2 247 248 A E S S+ 0 0 78 -2,-0.4 -1,-0.1 1,-0.1 -71,-0.1 0.944 92.0 61.7 -49.9 -63.6 -4.1 11.7 14.2 248 249 A N > - 0 0 79 1,-0.2 3,-1.8 3,-0.2 -1,-0.1 -0.573 68.0-161.1 -73.7 103.2 -7.5 13.3 15.2 249 250 A P G > S+ 0 0 36 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.698 92.5 67.8 -56.7 -15.5 -9.3 13.9 11.9 250 251 A S G 3 S+ 0 0 109 1,-0.2 -2,-0.1 -63,-0.0 -3,-0.1 0.046 106.9 38.2 -91.7 24.7 -11.3 16.3 14.1 251 252 A A G < S+ 0 0 60 -3,-1.8 2,-0.6 -5,-0.1 -1,-0.2 -0.089 83.2 129.3-165.2 44.4 -8.2 18.5 14.4 252 253 A R < - 0 0 20 -3,-0.7 -8,-0.2 -5,-0.1 -9,-0.1 -0.927 65.5-105.3-116.2 114.9 -6.5 18.3 11.0 253 254 A I - 0 0 26 -10,-1.0 -7,-0.1 -2,-0.6 -2,-0.1 0.068 40.5-139.8 -33.0 134.1 -5.5 21.5 9.2 254 255 A T > - 0 0 60 1,-0.1 4,-1.0 -64,-0.0 -1,-0.1 0.044 21.0-102.3 -85.7-162.2 -7.9 22.3 6.4 255 256 A I H > S+ 0 0 13 2,-0.2 4,-3.5 3,-0.2 5,-0.3 0.861 117.9 60.9 -91.2 -47.5 -7.2 23.6 2.9 256 257 A P H 4 S+ 0 0 89 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.742 118.1 36.6 -51.9 -18.8 -8.3 27.3 3.6 257 258 A D H > S+ 0 0 77 2,-0.2 4,-1.0 3,-0.1 -2,-0.2 0.755 106.0 61.6-101.7 -38.4 -5.5 27.0 6.1 258 259 A I H >< S+ 0 0 0 -4,-1.0 3,-1.4 1,-0.3 6,-0.2 0.940 106.5 53.0 -52.5 -40.0 -3.1 24.8 4.1 259 260 A K T 3< S+ 0 0 97 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.867 105.6 52.3 -58.9 -38.8 -3.3 27.9 1.9 260 261 A K T 34 S+ 0 0 173 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.534 87.2 120.8 -76.4 -8.0 -2.4 30.0 4.9 261 262 A D << - 0 0 7 -3,-1.4 4,-0.5 -4,-1.0 -3,-0.0 -0.032 65.6-133.1 -55.2 160.5 0.7 27.9 5.6 262 263 A R S S+ 0 0 170 2,-0.2 3,-0.3 -26,-0.1 -1,-0.1 0.860 108.1 43.6 -85.2 -40.3 4.2 29.4 5.7 263 264 A W S > S+ 0 0 1 -27,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.844 110.6 60.7 -70.0 -31.8 5.9 26.8 3.5 264 265 A Y T 3 S+ 0 0 16 1,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.743 112.0 36.2 -65.9 -26.6 2.8 27.0 1.3 265 266 A N T 3 S+ 0 0 106 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.067 86.0 124.4-116.9 25.0 3.5 30.7 0.6 266 267 A K < - 0 0 58 -3,-1.1 -3,-0.0 2,-0.1 -159,-0.0 -0.765 65.7-110.7 -90.6 123.1 7.3 30.7 0.5 267 268 A P S S- 0 0 105 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.070 79.2 -28.0 -50.1 145.3 8.8 32.1 -2.7 268 269 A L 0 0 117 1,-0.3 -160,-0.1 -164,-0.1 -161,-0.1 -0.190 360.0 360.0 46.8 -82.3 10.6 29.8 -5.2 269 270 A K 0 0 103 -2,-1.5 -162,-0.3 -162,-0.1 -1,-0.3 0.746 360.0 360.0 -26.5 360.0 11.5 27.4 -2.4