==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-APR-12 4EOI . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.ECHALIER,E.COT,A.CAMASSES,E.HODIMONT,F.HOH,F.SHEINERMAN, . 1105 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 714 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 411 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 8 2 2 4 0 2 2 0 4 1 4 1 8 4 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 2 1 1 2 4 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 . 2 0 2 2 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 0 A S > 0 0 67 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 130.3 -16.5 6.9 -32.0 2 1 A M G > + 0 0 49 1,-0.2 3,-1.0 2,-0.1 66,-0.0 0.561 360.0 83.2 -74.6 -9.5 -13.3 8.3 -33.3 3 2 A E G 3 S+ 0 0 57 1,-0.2 -1,-0.2 3,-0.0 22,-0.1 0.878 88.2 52.6 -58.9 -41.7 -14.4 8.1 -37.0 4 3 A N G < S+ 0 0 17 -3,-0.9 21,-3.7 20,-0.1 2,-0.4 0.517 97.1 83.7 -77.5 -6.7 -16.3 11.5 -36.8 5 4 A F E < -A 24 0A 29 -3,-1.0 2,-0.5 19,-0.2 19,-0.2 -0.835 56.1-164.7-106.3 136.3 -13.3 13.4 -35.4 6 5 A Q E -A 23 0A 98 17,-2.2 17,-1.9 -2,-0.4 2,-0.2 -0.978 22.9-133.5-115.0 115.5 -10.4 14.9 -37.4 7 6 A K E -A 22 0A 74 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.468 22.4-178.3 -68.5 136.9 -7.4 15.8 -35.3 8 7 A V E - 0 0 82 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.836 57.2 -32.0-101.7 -50.7 -6.0 19.3 -36.0 9 8 A E E -A 21 0A 108 12,-1.2 12,-3.1 0, 0.0 -1,-0.4 -0.986 57.3 -95.4-164.7 161.0 -2.9 19.6 -33.6 10 9 A K E -A 20 0A 110 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.704 28.9-175.8 -81.2 138.3 -1.4 18.6 -30.3 11 10 A I E - 0 0 74 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.792 47.7 -86.9-101.5 -43.1 -1.9 21.2 -27.6 12 11 A G E -A 19 0A 19 7,-1.5 7,-3.1 0, 0.0 2,-0.4 -0.987 44.3 -62.7 163.1-164.5 0.1 19.7 -24.7 13 12 A E E -A 18 0A 119 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.955 40.4-166.3-119.4 135.9 0.1 17.4 -21.7 14 13 A G - 0 0 29 3,-1.0 3,-0.1 2,-0.5 -1,-0.0 -0.012 57.2 -55.3 -95.1-157.0 -2.0 17.7 -18.6 15 14 A T S S- 0 0 41 1,-0.2 2,-0.3 110,-0.1 30,-0.1 0.847 129.9 -4.7 -48.9 -38.9 -2.0 16.1 -15.2 16 15 A Y S S+ 0 0 23 29,-0.1 -2,-0.5 27,-0.0 -1,-0.2 -0.962 118.0 14.6-150.5 160.2 -2.2 12.9 -17.2 17 16 A G S S- 0 0 28 -2,-0.3 -3,-1.0 -4,-0.1 2,-0.4 0.042 83.2 -73.8 68.4-177.8 -2.5 12.1 -20.9 18 17 A V E -AB 13 35A 14 17,-1.8 17,-2.7 -5,-0.2 2,-0.5 -0.972 35.7-139.7-123.1 134.8 -2.1 14.3 -24.0 19 18 A V E -AB 12 34A 34 -7,-3.1 -8,-3.2 -2,-0.4 -7,-1.5 -0.819 21.4-177.1 -99.7 127.4 -4.6 17.0 -25.2 20 19 A Y E -AB 10 33A 40 13,-3.2 13,-2.9 -2,-0.5 2,-0.4 -0.876 26.2-125.4-118.1 151.8 -5.3 17.5 -28.9 21 20 A K E +AB 9 32A 61 -12,-3.1 -13,-3.2 -2,-0.3 -12,-1.2 -0.816 42.4 165.8 -88.6 136.2 -7.4 20.0 -30.8 22 21 A A E -AB 7 31A 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.4 -0.934 28.8-133.5-146.5 170.7 -10.0 18.3 -33.1 23 22 A R E -AB 6 30A 99 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.7 -0.994 19.3-127.5-133.8 127.6 -13.1 18.9 -35.2 24 23 A N E > -A 5 0A 4 5,-3.3 4,-2.4 -2,-0.4 -19,-0.2 -0.661 21.6-153.7 -69.1 113.4 -16.4 16.9 -35.3 25 24 A K T 4 S+ 0 0 80 -21,-3.7 -1,-0.2 -2,-0.7 -20,-0.1 0.719 88.7 44.0 -65.4 -23.2 -16.7 16.3 -39.1 26 25 A L T 4 S+ 0 0 7 -22,-0.4 -1,-0.2 3,-0.1 906,-0.1 0.846 126.4 24.9 -92.6 -40.1 -20.5 16.0 -38.9 27 26 A T T 4 S- 0 0 0 2,-0.1 899,-2.7 898,-0.1 902,-0.3 0.617 94.8-128.0 -99.5 -17.2 -21.5 18.9 -36.6 28 27 A G < + 0 0 3 -4,-2.4 -3,-0.1 1,-0.3 897,-0.1 0.337 54.6 154.0 82.7 -5.6 -18.4 21.1 -37.2 29 28 A E - 0 0 24 895,-0.4 -5,-3.3 -6,-0.1 2,-0.5 -0.347 41.8-136.0 -63.1 127.4 -17.9 21.4 -33.5 30 29 A V E +B 23 0A 62 -7,-0.2 50,-1.5 50,-0.1 2,-0.3 -0.738 33.7 179.6 -82.5 128.1 -14.4 22.1 -32.4 31 30 A V E -BC 22 79A 0 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.5 -0.875 30.8-125.3-129.7 158.4 -13.4 19.8 -29.5 32 31 A A E -BC 21 78A 11 46,-2.4 46,-3.2 -2,-0.3 2,-0.5 -0.916 24.8-155.7 -99.4 131.1 -10.5 19.0 -27.2 33 32 A L E -BC 20 77A 0 -13,-2.9 -13,-3.2 -2,-0.5 2,-0.7 -0.943 4.9-162.3-108.6 125.3 -9.4 15.4 -27.1 34 33 A K E -BC 19 76A 7 42,-2.6 42,-2.2 -2,-0.5 2,-0.3 -0.909 16.9-161.0-105.7 103.4 -7.6 14.0 -24.0 35 34 A K E -BC 18 75A 18 -17,-2.7 -17,-1.8 -2,-0.7 2,-0.4 -0.682 11.2-175.4 -89.2 136.6 -6.0 10.7 -25.0 36 35 A I E - C 0 74A 11 38,-2.5 38,-2.6 -2,-0.3 2,-0.4 -0.998 16.5-143.3-128.6 129.3 -4.8 8.1 -22.6 37 36 A R E C 0 73A 167 -2,-0.4 36,-0.2 36,-0.2 -20,-0.1 -0.769 360.0 360.0 -90.0 136.7 -2.9 4.9 -23.5 38 37 A L 0 0 75 34,-1.8 4,-0.1 -2,-0.4 -2,-0.0 -0.808 360.0 360.0-103.3 360.0 -3.8 1.8 -21.5 39 ! 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 40 42 A E 0 0 115 0, 0.0 2,-0.1 0, 0.0 358,-0.0 0.000 360.0 360.0 360.0 4.4 -2.1 -1.5 -14.5 41 43 A G - 0 0 21 2,-0.0 374,-0.1 357,-0.0 375,-0.0 -0.358 360.0 -2.4 78.9-159.2 -5.4 -0.9 -16.1 42 44 A V S S- 0 0 0 373,-0.2 -4,-0.1 -4,-0.1 347,-0.0 -0.516 84.8-112.2 -71.1 126.1 -7.3 2.5 -16.2 43 45 A P > - 0 0 41 0, 0.0 4,-2.2 0, 0.0 3,-0.2 -0.201 12.4-125.2 -62.4 148.6 -5.4 5.1 -14.2 44 46 A S H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 111.4 57.7 -54.9 -44.2 -6.8 6.5 -10.9 45 47 A T H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 109.2 43.5 -56.8 -43.1 -6.5 10.0 -12.3 46 48 A A H > S+ 0 0 0 2,-0.2 4,-2.7 -3,-0.2 5,-0.3 0.899 112.1 52.7 -70.5 -44.0 -8.7 9.2 -15.3 47 49 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 382,-0.3 0.925 114.3 43.3 -56.6 -47.1 -11.3 7.3 -13.3 48 50 A R H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.951 113.9 49.4 -64.8 -52.0 -11.6 10.3 -10.9 49 51 A E H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.935 114.6 44.2 -55.5 -51.4 -11.7 12.9 -13.6 50 52 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.952 114.8 47.3 -59.4 -53.7 -14.3 11.2 -15.7 51 53 A S H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.917 120.1 38.4 -56.4 -46.4 -16.6 10.3 -12.7 52 54 A L H >X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 3,-0.5 0.899 114.1 52.3 -74.7 -41.4 -16.5 13.8 -11.2 53 55 A L H 3< S+ 0 0 4 -4,-3.0 11,-0.4 -5,-0.3 -1,-0.2 0.803 105.3 56.9 -68.4 -28.1 -16.6 15.8 -14.5 54 56 A K H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.809 110.5 45.4 -66.9 -31.6 -19.7 13.8 -15.5 55 57 A E H << S+ 0 0 31 -4,-0.8 2,-0.9 -3,-0.5 -2,-0.2 0.849 99.1 80.3 -76.5 -37.2 -21.4 15.0 -12.3 56 58 A L < + 0 0 2 -4,-1.9 2,-0.6 6,-0.1 -1,-0.1 -0.638 50.0 167.2 -87.0 105.1 -20.2 18.6 -12.6 57 59 A N + 0 0 102 -2,-0.9 5,-0.1 6,-0.1 6,-0.1 -0.937 23.0 130.3-117.1 107.5 -22.3 20.7 -14.9 58 60 A H > - 0 0 39 -2,-0.6 3,-1.7 3,-0.4 54,-0.0 -0.985 64.9-114.9-154.6 145.2 -21.6 24.4 -14.5 59 61 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.725 116.1 46.7 -54.1 -25.3 -20.8 27.4 -16.8 60 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.123 97.4 78.6-112.3 21.0 -17.3 27.7 -15.3 61 63 A I B < S-e 141 0B 3 -3,-1.7 -3,-0.4 79,-0.3 81,-0.2 -1.000 93.5-101.8-124.5 128.7 -16.3 24.1 -15.3 62 64 A V - 0 0 3 79,-2.9 2,-0.6 -2,-0.4 -2,-0.1 -0.148 39.2-117.9 -50.3 135.7 -15.0 22.6 -18.6 63 65 A K - 0 0 71 -4,-0.1 16,-1.9 -6,-0.1 2,-0.7 -0.708 16.6-152.2 -85.8 116.5 -17.7 20.5 -20.3 64 66 A L E +D 78 0A 26 -2,-0.6 14,-0.3 -11,-0.4 3,-0.1 -0.810 17.2 179.7 -82.7 115.6 -16.9 16.8 -20.8 65 67 A L E - 0 0 55 12,-3.2 2,-0.3 -2,-0.7 13,-0.2 0.818 55.7 -10.7 -89.7 -36.2 -19.0 15.8 -23.9 66 68 A D E -D 77 0A 79 11,-1.4 11,-3.2 2,-0.0 2,-0.5 -0.986 48.0-136.2-162.7 156.2 -18.1 12.1 -24.3 67 69 A V E -D 76 0A 26 -2,-0.3 2,-0.8 9,-0.2 9,-0.2 -0.991 18.3-155.5-121.5 116.9 -15.9 9.3 -23.3 68 70 A I E -D 75 0A 10 7,-3.5 7,-2.4 -2,-0.5 2,-0.7 -0.844 15.5-169.3 -98.8 106.7 -14.6 7.2 -26.2 69 71 A H E +D 74 0A 50 -2,-0.8 5,-0.2 5,-0.2 2,-0.2 -0.843 15.7 157.1-109.6 103.9 -13.8 3.8 -24.6 70 72 A T - 0 0 50 3,-1.8 -2,-0.0 -2,-0.7 0, 0.0 -0.508 53.3 -91.7-117.8-174.7 -11.9 1.3 -26.7 71 73 A E S S+ 0 0 80 -2,-0.2 3,-0.1 1,-0.2 348,-0.0 0.889 117.5 8.9 -68.6 -41.2 -9.7 -1.7 -26.2 72 74 A N S S+ 0 0 115 1,-0.1 -34,-1.8 -35,-0.0 2,-0.4 0.488 124.3 52.3-120.3 -7.7 -6.3 0.0 -26.1 73 75 A K E -C 37 0A 68 -36,-0.2 -3,-1.8 2,-0.0 2,-0.5 -0.987 55.2-158.3-138.6 142.1 -7.1 3.8 -26.0 74 76 A L E -CD 36 69A 0 -38,-2.6 -38,-2.5 -2,-0.4 2,-0.5 -0.977 12.3-171.9-121.3 121.4 -9.2 6.1 -24.0 75 77 A Y E -CD 35 68A 13 -7,-2.4 -7,-3.5 -2,-0.5 2,-0.5 -0.950 9.7-159.0-113.5 128.0 -10.4 9.5 -25.3 76 78 A L E -CD 34 67A 0 -42,-2.2 -42,-2.6 -2,-0.5 2,-0.6 -0.914 14.9-147.9 -99.0 129.6 -12.1 12.2 -23.3 77 79 A V E +CD 33 66A 3 -11,-3.2 -12,-3.2 -2,-0.5 -11,-1.4 -0.889 21.7 176.6-103.9 119.5 -14.0 14.6 -25.5 78 80 A F E -CD 32 64A 15 -46,-3.2 -46,-2.4 -2,-0.6 -14,-0.2 -0.828 37.6 -99.1-114.6 154.9 -14.2 18.2 -24.2 79 81 A E E -C 31 0A 37 -16,-1.9 2,-0.4 -2,-0.3 -48,-0.2 -0.488 43.0-125.9 -59.0 139.8 -15.7 21.4 -25.6 80 82 A F + 0 0 58 -50,-1.5 2,-0.2 -2,-0.1 -50,-0.1 -0.822 32.2 176.2 -93.4 134.1 -12.9 23.5 -27.1 81 83 A L - 0 0 21 -2,-0.4 53,-0.2 53,-0.1 3,-0.1 -0.276 42.6 -89.8-112.3-155.0 -12.5 27.0 -25.8 82 84 A H S S- 0 0 40 51,-1.6 2,-0.3 1,-0.3 52,-0.2 0.921 79.7 -27.9 -90.3 -46.1 -9.7 29.3 -26.9 83 85 A Q E -F 133 0B 20 50,-1.7 50,-3.3 213,-0.1 -1,-0.3 -0.974 57.8-100.5-170.3 150.0 -6.6 29.1 -24.7 84 86 A D E > -F 132 0B 22 -2,-0.3 4,-2.2 48,-0.3 48,-0.3 -0.496 39.3-112.1 -78.9 160.0 -5.4 28.3 -21.2 85 87 A L H > S+ 0 0 1 46,-3.1 4,-2.3 43,-1.1 44,-0.2 0.782 113.6 57.2 -66.6 -31.3 -4.7 31.2 -18.8 86 88 A K H > S+ 0 0 92 42,-0.8 4,-2.1 45,-0.3 -1,-0.2 0.952 110.8 43.3 -62.6 -49.9 -1.0 30.6 -18.7 87 89 A D H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.880 112.2 54.6 -62.2 -39.7 -0.7 30.9 -22.4 88 90 A F H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.925 110.7 45.2 -59.7 -45.0 -3.0 33.9 -22.3 89 91 A M H < S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.0 50.5 -67.5 -38.3 -0.7 35.6 -19.8 90 92 A D H < S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 115.3 43.9 -65.8 -32.0 2.4 34.7 -21.8 91 93 A A H < S+ 0 0 12 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.650 96.5 96.5 -86.9 -18.4 0.7 36.1 -24.9 92 94 A S S < S- 0 0 9 -4,-1.3 5,-0.1 -5,-0.2 2,-0.0 -0.564 73.9-127.5 -78.6 133.3 -0.5 39.3 -23.2 93 95 A A > - 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0 0 5 42,-0.3 2,-0.2 -6,-0.1 -3,-0.1 -0.590 54.8-162.7 -97.3 158.5 -26.2 -16.6 -8.5 330 207 B T > - 0 0 65 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.774 37.9-102.2-129.5 170.4 -28.0 -16.2 -5.1 331 208 B N H > S+ 0 0 57 -2,-0.2 4,-2.3 1,-0.2 136,-0.3 0.842 123.0 56.5 -60.5 -36.4 -28.1 -13.9 -2.1 332 209 B S H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 106.8 47.8 -60.8 -43.4 -26.0 -16.5 -0.3 333 210 B M H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.860 112.0 49.6 -67.2 -38.7 -23.3 -16.4 -3.0 334 211 B R H X S+ 0 0 5 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.884 107.9 54.5 -64.9 -40.7 -23.3 -12.6 -2.8 335 212 B A H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 108.0 49.4 -60.6 -42.0 -23.0 -12.8 1.0 336 213 B I H X S+ 0 0 91 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.909 112.3 49.0 -60.8 -44.3 -19.9 -15.0 0.5 337 214 B L H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.936 111.8 46.3 -61.5 -49.7 -18.5 -12.5 -2.0 338 215 B V H X S+ 0 0 2 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.890 111.6 52.0 -65.6 -38.8 -19.0 -9.5 0.3 339 216 B D H X S+ 0 0 17 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.875 109.7 50.4 -61.2 -38.6 -17.6 -11.3 3.3 340 217 B W H X S+ 0 0 40 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.884 106.8 53.6 -68.0 -39.1 -14.5 -12.1 1.1 341 218 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.845 104.3 56.5 -61.2 -37.1 -14.2 -8.4 0.1 342 219 B V H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.911 107.8 48.0 -57.9 -44.9 -14.2 -7.6 3.9 343 220 B E H X S+ 0 0 95 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.905 110.5 50.8 -61.4 -46.4 -11.2 -10.0 4.3 344 221 B V H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 109.3 51.2 -57.2 -45.5 -9.4 -8.4 1.3 345 222 B G H <>S+ 0 0 5 -4,-2.5 5,-3.0 1,-0.2 -1,-0.2 0.833 112.4 47.2 -60.6 -35.2 -10.0 -4.9 2.8 346 223 B E H ><5S+ 0 0 67 -4,-1.6 3,-0.6 3,-0.2 -2,-0.2 0.879 109.8 51.9 -73.1 -41.9 -8.5 -6.2 6.1 347 224 B E H 3<5S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.878 120.5 33.5 -62.9 -40.4 -5.5 -7.8 4.4 348 225 B Y T 3<5S- 0 0 50 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.287 107.9-120.8-102.9 10.7 -4.5 -4.6 2.5 349 226 B K T < 5 + 0 0 180 -3,-0.6 -3,-0.2 -4,-0.2 2,-0.2 0.935 49.9 174.7 49.8 54.7 -5.7 -2.2 5.2 350 227 B L < - 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0 0 17 -4,-2.1 -235,-0.1 -5,-0.4 -42,-0.0 -0.518 57.3-149.2 -85.1 140.6 -7.3 4.9 -1.7 393 270 B I S S+ 0 0 56 1,-0.3 -1,-0.1 -2,-0.2 -236,-0.0 0.938 103.7 23.8 -60.9 -47.8 -4.2 7.1 -1.4 394 271 B Y S S- 0 0 178 -3,-0.0 -1,-0.3 3,-0.0 -5,-0.1 -0.792 84.5-162.5-123.7 85.8 -2.2 3.9 -2.2 395 272 B P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.333 30.5-105.4 -61.6 146.1 -4.3 1.3 -4.1 396 273 B P - 0 0 10 0, 0.0 -4,-0.1 0, 0.0 -7,-0.0 -0.452 46.4-102.2 -64.3 150.9 -3.0 -2.2 -4.0 397 274 B E >> - 0 0 105 1,-0.1 4,-1.4 -2,-0.1 3,-0.9 -0.317 26.5-107.8 -75.3 161.4 -1.4 -3.1 -7.4 398 275 B V H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.881 119.9 57.9 -54.9 -42.3 -3.3 -5.2 -10.0 399 276 B A H 3> S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.801 103.1 53.8 -58.5 -33.0 -0.9 -8.1 -9.3 400 277 B E H <> S+ 0 0 73 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.852 107.6 49.5 -72.6 -35.1 -1.9 -8.1 -5.7 401 278 B F H < S+ 0 0 1 -4,-1.4 4,-0.3 -3,-0.3 -2,-0.2 0.829 109.8 52.4 -67.9 -33.6 -5.6 -8.3 -6.6 402 279 B V H ><>S+ 0 0 20 -4,-1.9 5,-1.1 -5,-0.2 3,-0.5 0.849 107.4 54.3 -68.0 -35.1 -4.7 -11.3 -8.9 403 280 B Y H ><5S+ 0 0 168 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.897 103.5 51.6 -67.2 -45.4 -2.9 -13.0 -5.9 404 281 B I T 3<5S+ 0 0 26 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.487 95.8 71.3 -77.8 -2.0 -5.9 -12.9 -3.5 405 282 B T T X 5S- 0 0 0 -3,-0.5 3,-2.5 -4,-0.3 4,-0.3 0.030 111.3-119.4 -93.0 23.8 -8.1 -14.5 -6.1 406 283 B D T < 5 - 0 0 148 -3,-1.0 -3,-0.1 1,-0.3 -2,-0.1 0.735 61.7 -68.8 43.2 34.0 -6.1 -17.8 -5.5 407 284 B D T 3 - 0 0 76 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.508 29.5-111.1 -90.9 164.8 -5.5 -14.0 -15.0 411 288 B K H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 119.8 54.2 -57.3 -47.2 -4.3 -10.4 -15.0 412 289 B K H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 107.0 51.6 -57.6 -37.2 -5.8 -9.9 -18.5 413 290 B Q H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 110.1 47.5 -65.4 -46.0 -9.2 -11.1 -17.2 414 291 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.940 114.3 47.6 -59.8 -48.7 -9.2 -8.7 -14.2 415 292 B L H X S+ 0 0 42 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.857 113.1 47.6 -61.4 -39.9 -8.2 -5.8 -16.5 416 293 B R H X S+ 0 0 87 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.852 111.7 50.4 -71.0 -35.0 -10.9 -6.7 -19.1 417 294 B M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.853 106.4 56.0 -69.2 -36.1 -13.5 -7.0 -16.3 418 295 B E H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 108.2 48.3 -58.0 -45.1 -12.4 -3.6 -15.0 419 296 B H H X S+ 0 0 33 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.918 112.8 47.7 -61.8 -46.2 -13.1 -2.2 -18.5 420 297 B L H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.898 110.1 51.1 -63.4 -44.6 -16.5 -3.9 -18.6 421 298 B V H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.954 111.3 49.7 -57.0 -48.3 -17.5 -2.7 -15.2 422 299 B L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 6,-0.2 0.877 111.9 47.9 -56.7 -43.5 -16.6 0.8 -16.2 423 300 B K H ><5S+ 0 0 99 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.923 114.3 45.5 -62.0 -47.2 -18.7 0.5 -19.4 424 301 B V H 3<5S+ 0 0 38 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.891 117.7 42.4 -68.6 -41.0 -21.7 -0.9 -17.6 425 302 B L T ><5S- 0 0 5 -4,-3.0 3,-2.1 -5,-0.2 -1,-0.3 0.421 108.1-129.9 -80.6 2.4 -21.5 1.7 -14.8 426 303 B T T < 5 - 0 0 72 -3,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.847 61.3 -66.6 43.3 46.2 -20.8 4.4 -17.5 427 304 B F T 3 - 0 0 6 1,-0.1 4,-1.3 -2,-0.1 5,-0.1 -0.851 37.3-105.8-132.9 166.4 -22.4 5.1 0.7 434 311 B V H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.906 121.4 57.6 -56.1 -43.1 -23.7 4.2 4.2 435 312 B N H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 101.5 53.7 -56.2 -43.9 -20.3 5.3 5.4 436 313 B Q H > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.2 -284,-0.3 0.819 111.8 44.8 -63.9 -34.8 -20.6 8.8 3.9 437 314 B F H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.909 110.1 56.0 -74.8 -41.0 -23.9 9.4 5.7 438 315 B L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 103.2 52.2 -54.7 -49.3 -22.6 8.0 9.0 439 316 B T H X S+ 0 0 31 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.852 111.3 49.2 -62.3 -32.8 -19.6 10.4 9.2 440 317 B Q H >< S+ 0 0 3 -4,-0.8 3,-1.0 -5,-0.2 -1,-0.2 0.922 111.3 48.5 -66.2 -45.6 -22.0 13.3 8.7 441 318 B Y H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.829 100.1 67.1 -63.3 -34.1 -24.4 11.9 11.4 442 319 B F H >< S+ 0 0 17 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.749 86.9 69.0 -59.8 -25.4 -21.4 11.5 13.8 443 320 B L T << S+ 0 0 98 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.557 91.4 62.8 -70.5 -6.9 -21.1 15.3 13.9 444 321 B H T < S+ 0 0 47 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.284 73.4 123.2-101.9 8.6 -24.4 15.4 15.8 445 322 B Q < - 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0 0 33 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.2 -0.900 67.9-139.1-113.1 124.2 -24.7 18.6 -29.5 924 247 D S - 0 0 32 -2,-0.5 2,-0.4 -3,-0.1 -895,-0.4 -0.635 29.4-168.7 -71.5 132.6 -23.2 21.9 -30.5 925 248 D V - 0 0 3 -2,-0.3 -43,-0.3 -897,-0.1 -897,-0.2 -0.992 17.9-130.1-131.4 133.2 -23.8 22.4 -34.2 926 249 D L >> - 0 0 80 -899,-2.7 3,-1.5 -2,-0.4 4,-0.7 -0.441 31.0-111.2 -73.5 155.0 -22.4 24.9 -36.7 927 250 D R G >4 S+ 0 0 160 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.813 116.3 57.8 -56.3 -36.5 -24.8 26.8 -39.0 928 251 D G G 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.640 111.4 43.0 -71.0 -15.5 -23.5 25.0 -42.1 929 252 D K G <> S+ 0 0 43 -3,-1.5 4,-1.7 -902,-0.3 3,-0.3 0.464 87.1 91.5-107.6 -5.0 -24.3 21.7 -40.6 930 253 D L H S+ 0 0 52 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.798 104.9 58.2 -68.9 -29.7 -29.6 21.4 -42.3 932 255 D L H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.887 106.6 49.0 -64.8 -39.5 -27.7 18.1 -42.3 933 256 D V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.933 113.4 46.8 -61.3 -48.3 -29.1 17.5 -38.8 934 257 D G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 112.1 49.5 -60.9 -45.7 -32.7 18.4 -40.0 935 258 D T H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.942 113.3 45.8 -61.3 -49.0 -32.4 16.2 -43.1 936 259 D A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.862 112.5 52.2 -61.1 -37.4 -31.1 13.2 -41.2 937 260 D A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.865 109.9 47.9 -67.9 -37.4 -33.9 13.8 -38.6 938 261 D M H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 111.0 51.8 -68.2 -42.2 -36.6 13.9 -41.3 939 262 D L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.932 112.3 45.9 -56.5 -49.0 -35.1 10.7 -42.8 940 263 D L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 112.0 50.2 -62.4 -43.7 -35.3 9.0 -39.4 941 264 D A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.863 111.1 50.1 -64.0 -38.5 -38.8 10.2 -38.7 942 265 D S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 109.6 50.0 -65.6 -44.2 -39.9 8.9 -42.1 943 266 D K H < S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 116.9 42.9 -60.0 -39.3 -38.3 5.5 -41.5 944 267 D F H < S+ 0 0 7 -4,-2.1 -236,-0.2 -5,-0.2 -2,-0.2 0.945 130.7 19.7 -70.2 -47.8 -40.1 5.3 -38.1 945 268 D E H < S+ 0 0 9 -4,-2.8 -3,-0.2 -5,-0.1 2,-0.2 0.764 100.9 85.8-101.1 -33.7 -43.5 6.6 -39.2 946 269 D E < - 0 0 17 -4,-2.3 -230,-0.1 -5,-0.3 -42,-0.0 -0.493 57.6-148.6 -84.0 143.5 -44.1 6.3 -43.0 947 270 D I S S+ 0 0 48 1,-0.3 -1,-0.1 -2,-0.2 -231,-0.0 0.922 103.7 19.9 -66.0 -45.9 -45.4 3.3 -44.9 948 271 D Y S S- 0 0 176 -3,-0.0 -1,-0.3 3,-0.0 -5,-0.1 -0.809 83.6-165.7-125.8 86.6 -43.2 4.3 -47.8 949 272 D P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -10,-0.1 -0.456 34.7 -99.4 -66.9 146.1 -40.4 6.7 -46.7 950 273 D P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -4,-0.1 -0.364 46.8-102.2 -59.2 146.2 -38.7 8.6 -49.5 951 274 D E >> - 0 0 112 1,-0.1 3,-0.9 -3,-0.1 4,-0.9 -0.242 32.3-104.9 -65.9 162.9 -35.4 6.9 -50.4 952 275 D V H >> S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.876 118.3 63.0 -59.3 -40.6 -32.1 8.5 -49.1 953 276 D A H 3> S+ 0 0 37 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.833 99.5 56.3 -52.3 -35.5 -31.3 10.0 -52.6 954 277 D E H <> S+ 0 0 73 -3,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.834 104.1 51.5 -68.8 -34.2 -34.4 12.0 -52.3 955 278 D F H << S+ 0 0 4 -4,-0.9 4,-0.3 -3,-0.8 -1,-0.2 0.762 108.6 52.5 -71.5 -26.8 -33.3 13.6 -49.0 956 279 D V H ><>S+ 0 0 22 -4,-1.5 5,-1.3 2,-0.1 3,-0.9 0.878 106.2 54.1 -72.4 -39.1 -30.0 14.5 -50.7 957 280 D Y H ><5S+ 0 0 168 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.888 100.6 57.9 -63.2 -42.7 -31.8 16.2 -53.6 958 281 D I T 3<5S+ 0 0 22 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.562 97.2 62.7 -69.9 -9.6 -33.9 18.6 -51.4 959 282 D T T X 5S- 0 0 2 -3,-0.9 3,-1.0 -4,-0.3 -1,-0.3 0.234 116.7-113.1 -93.3 11.6 -30.7 20.0 -49.8 960 283 D D T < 5 - 0 0 139 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.761 66.3 -67.1 59.5 29.6 -29.7 21.3 -53.3 961 284 D D T 3 - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.494 28.7-109.6 -87.3 164.8 -23.7 13.9 -50.0 965 288 D K H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 121.4 57.2 -58.0 -36.4 -25.6 10.7 -49.3 966 289 D K H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 106.5 47.3 -61.0 -44.9 -22.6 9.6 -47.2 967 290 D Q H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 112.0 50.5 -65.5 -41.8 -22.9 12.7 -45.0 968 291 D V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 113.6 44.7 -61.8 -45.4 -26.7 12.2 -44.6 969 292 D L H X S+ 0 0 10 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.854 112.2 51.2 -70.4 -36.4 -26.2 8.5 -43.6 970 293 D R H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 111.9 47.7 -66.6 -39.2 -23.4 9.3 -41.2 971 294 D M H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.887 106.2 58.0 -66.6 -39.7 -25.5 12.0 -39.5 972 295 D E H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 108.7 46.5 -52.6 -46.9 -28.4 9.5 -39.4 973 296 D H H X S+ 0 0 24 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.907 112.4 49.2 -62.5 -45.6 -26.1 7.2 -37.3 974 297 D L H X S+ 0 0 15 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.916 110.0 51.2 -61.7 -44.7 -25.0 10.1 -35.1 975 298 D V H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.929 109.8 50.3 -58.7 -45.9 -28.6 11.2 -34.4 976 299 D L H <>S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.2 6,-0.3 0.907 112.3 47.3 -57.9 -44.5 -29.5 7.6 -33.5 977 300 D K H ><5S+ 0 0 56 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.933 113.1 47.1 -63.2 -49.0 -26.6 7.4 -31.1 978 301 D V H 3<5S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.900 118.6 41.1 -60.9 -43.0 -27.2 10.8 -29.4 979 302 D L T ><5S- 0 0 6 -4,-2.7 3,-2.2 -5,-0.2 -1,-0.3 0.439 107.5-130.9 -82.2 1.3 -30.9 9.9 -29.1 980 303 D T T < 5 - 0 0 70 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.877 61.8 -67.0 43.0 46.7 -30.0 6.4 -28.0 981 304 D F T 3 - 0 0 5 -2,-0.2 4,-1.3 1,-0.1 3,-0.2 -0.812 36.7-110.1-122.0 163.2 -46.1 14.7 -30.4 988 311 D V H >> S+ 0 0 8 -2,-0.3 4,-2.2 1,-0.2 3,-0.5 0.916 121.3 58.3 -50.0 -47.0 -48.7 17.5 -30.5 989 312 D N H 3> S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 100.9 54.1 -51.9 -44.7 -50.2 15.6 -33.4 990 313 D Q H 3> S+ 0 0 22 1,-0.2 4,-0.9 2,-0.2 -279,-0.3 0.824 111.7 44.2 -64.0 -34.7 -50.7 12.4 -31.2 991 314 D F H < S+ 0 0 3 -4,-0.9 3,-0.5 -5,-0.2 4,-0.3 0.872 111.1 49.0 -61.9 -41.1 -57.1 11.8 -29.4 995 318 D Y H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 4,-0.2 0.834 100.4 65.2 -69.2 -34.1 -58.9 15.1 -28.7 996 319 D F H >< S+ 0 0 12 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.763 89.5 67.2 -61.1 -27.5 -60.7 15.1 -32.0 997 320 D L T << S+ 0 0 102 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.699 92.0 61.7 -66.7 -20.7 -62.7 11.9 -30.9 998 321 D H T < S+ 0 0 60 -3,-1.6 2,-0.5 -4,-0.3 -1,-0.3 0.530 81.7 100.9 -83.8 -8.2 -64.5 14.0 -28.3 999 322 D Q S < S- 0 0 19 -3,-1.4 -3,-0.0 -4,-0.2 0, 0.0 -0.699 71.0-135.2 -83.7 122.2 -66.0 16.3 -30.9 1000 323 D Q S S+ 0 0 179 -2,-0.5 2,-0.1 1,-0.2 -3,-0.0 -0.960 88.4 17.1-125.4 111.9 -69.6 15.5 -31.7 1001 324 D P S S- 0 0 101 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.628 103.6-104.1 -88.3 176.5 -70.1 15.5 -34.6 1002 325 D A - 0 0 78 -2,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.402 36.5-167.4 -60.7 120.9 -66.8 15.2 -36.4 1003 326 D N > - 0 0 38 -2,-0.2 4,-1.8 -7,-0.2 3,-0.2 -0.949 12.2-167.1-118.3 112.0 -65.8 18.6 -37.9 1004 327 D C H > S+ 0 0 63 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.812 86.7 59.7 -66.4 -35.2 -63.0 18.6 -40.4 1005 328 D K H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 108.5 45.1 -62.4 -40.2 -62.5 22.4 -40.4 1006 329 D V H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 113.4 50.5 -67.9 -43.4 -61.8 22.3 -36.6 1007 330 D E H X S+ 0 0 58 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 113.7 44.3 -61.4 -44.7 -59.4 19.3 -37.1 1008 331 D S H X S+ 0 0 8 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.891 114.4 48.8 -68.0 -41.5 -57.5 21.0 -39.9 1009 332 D L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.861 110.3 50.9 -68.3 -37.7 -57.3 24.3 -38.0 1010 333 D A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.922 111.3 49.0 -62.8 -45.4 -56.1 22.6 -34.8 1011 334 D M H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.879 109.4 53.3 -58.1 -42.4 -53.4 20.9 -36.9 1012 335 D F H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.943 112.2 43.4 -57.9 -51.9 -52.5 24.2 -38.5 1013 336 D L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.886 112.5 52.3 -63.5 -43.0 -52.0 25.9 -35.1 1014 337 D G H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.4 0.914 110.0 50.0 -57.8 -43.7 -50.1 22.9 -33.7 1015 338 D E H >X S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.5 0.852 104.4 58.4 -64.7 -36.8 -47.8 23.0 -36.7 1016 339 D L H >X S+ 0 0 17 -4,-1.8 3,-1.0 1,-0.2 4,-0.7 0.836 97.8 60.9 -60.7 -34.9 -47.2 26.8 -36.1 1017 340 D S H 3< S+ 0 0 4 -4,-1.4 3,-0.5 -3,-0.4 -1,-0.2 0.828 94.4 63.5 -63.3 -33.6 -45.9 26.1 -32.6 1018 341 D L H << S+ 0 0 19 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.731 94.7 62.3 -61.3 -27.3 -43.1 24.0 -34.0 1019 342 D I H << S+ 0 0 4 -3,-1.0 2,-0.7 -4,-0.5 -1,-0.2 0.899 100.2 53.1 -67.3 -43.3 -41.6 27.0 -35.9 1020 343 D D X - 0 0 31 -4,-0.7 4,-1.1 -3,-0.5 -1,-0.2 -0.855 54.5-173.1-109.3 108.9 -40.8 29.1 -32.8 1021 344 D A H > + 0 0 6 -2,-0.7 4,-2.8 -136,-0.2 5,-0.3 0.902 68.6 90.7 -61.6 -43.6 -38.7 27.6 -30.0 1022 345 D D H 4 S- 0 0 117 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 -0.902 107.5 -4.5 -91.8 117.2 -39.5 30.7 -28.0 1023 346 D P H >4 S+ 0 0 23 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.992 126.4 64.8-104.4 2.2 -41.9 30.3 -26.4 1024 347 D Y H >< S+ 0 0 8 -4,-1.1 3,-1.0 1,-0.3 -2,-0.2 0.601 86.2 73.9 -70.6 -12.9 -43.2 26.8 -27.4 1025 348 D L T 3< S+ 0 0 22 -4,-2.8 -1,-0.3 1,-0.2 -3,-0.1 0.778 92.1 57.2 -64.8 -28.7 -40.3 24.8 -26.0 1026 349 D K T < S+ 0 0 112 -3,-1.6 2,-0.4 -5,-0.3 -1,-0.2 0.535 95.4 82.3 -82.1 -5.7 -41.5 25.4 -22.5 1027 350 D Y S < S- 0 0 37 -3,-1.0 0, 0.0 -4,-0.2 0, 0.0 -0.849 79.9-125.0-105.1 134.8 -44.9 23.8 -23.2 1028 351 D L >> - 0 0 40 -2,-0.4 4,-2.2 1,-0.1 3,-0.9 -0.435 27.5-113.5 -70.1 147.4 -45.6 20.1 -23.3 1029 352 D P H 3> S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.838 117.2 54.9 -49.4 -40.4 -47.1 18.6 -26.5 1030 353 D S H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.815 109.5 47.0 -65.0 -33.2 -50.4 17.8 -24.6 1031 354 D V H <> S+ 0 0 22 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.896 112.9 47.8 -74.8 -43.2 -50.7 21.4 -23.5 1032 355 D I H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.926 113.2 49.3 -61.8 -44.5 -50.0 22.9 -27.0 1033 356 D A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.864 110.7 50.5 -62.5 -39.2 -52.5 20.4 -28.4 1034 357 D G H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.919 112.9 45.4 -62.3 -46.1 -55.0 21.4 -25.8 1035 358 D A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.778 114.8 49.6 -68.4 -28.7 -54.5 25.1 -26.6 1036 359 D A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.894 110.8 47.3 -76.3 -43.6 -54.7 24.3 -30.4 1037 360 D F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.912 114.0 46.8 -65.9 -45.2 -57.9 22.3 -30.2 1038 361 D H H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.917 113.1 48.9 -61.4 -46.1 -59.7 24.9 -28.1 1039 362 D L H X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.857 113.2 47.5 -65.1 -36.4 -58.6 27.8 -30.3 1040 363 D A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.848 113.1 48.6 -70.3 -37.3 -59.7 25.9 -33.4 1041 364 D L H X>S+ 0 0 3 -4,-2.1 5,-1.8 2,-0.2 4,-1.8 0.873 112.9 47.4 -70.4 -38.8 -63.0 25.1 -31.9 1042 365 D Y H <5S+ 0 0 62 -4,-2.6 -2,-0.2 4,-0.3 -1,-0.2 0.808 113.0 49.7 -72.2 -31.9 -63.6 28.6 -30.8 1043 366 D T H <5S+ 0 0 32 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 120.8 31.9 -72.3 -45.4 -62.6 30.0 -34.2 1044 367 D V H <5S+ 0 0 47 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.964 140.9 5.3 -79.2 -56.1 -64.9 27.7 -36.3 1045 368 D T T <5S- 0 0 61 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.711 89.4-119.2-107.1 -28.1 -67.9 27.0 -34.1 1046 369 D G < + 0 0 41 -5,-1.8 -4,-0.3 1,-0.4 -5,-0.1 0.349 69.1 132.1 97.8 -3.5 -67.5 29.2 -31.0 1047 370 D Q - 0 0 114 -6,-0.9 -1,-0.4 1,-0.1 2,-0.2 -0.330 44.4-139.4 -75.9 161.9 -67.5 26.2 -28.7 1048 371 D S - 0 0 46 1,-0.1 3,-0.1 -7,-0.1 -1,-0.1 -0.623 43.3 -43.8-119.0 175.9 -64.9 25.8 -25.9 1049 372 D W S S- 0 0 16 -2,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.162 72.7-115.5 -40.6 112.5 -62.7 23.1 -24.3 1050 373 D P >> - 0 0 27 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.211 7.0-128.7 -62.2 145.9 -65.1 20.2 -23.8 1051 374 D E H >> S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.863 109.7 59.3 -59.4 -40.9 -66.0 18.9 -20.4 1052 375 D S H 3> S+ 0 0 34 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.763 103.0 53.6 -61.1 -27.3 -65.1 15.3 -21.4 1053 376 D L H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 6,-0.5 0.722 102.2 56.9 -81.6 -23.4 -61.6 16.6 -22.1 1054 377 D I H > - 0 0 66 -2,-0.4 4,-2.1 -3,-0.1 3,-0.7 -0.731 38.1-103.0-106.8 163.6 -58.8 23.3 -17.4 1061 384 D L T 34 S+ 0 0 58 1,-0.3 7,-0.1 -2,-0.3 4,-0.1 0.742 124.3 52.6 -58.1 -25.0 -59.1 26.4 -19.5 1062 385 D E T 34 S+ 0 0 159 2,-0.2 3,-0.4 1,-0.2 -1,-0.3 0.810 107.2 50.0 -79.1 -33.7 -57.2 28.3 -16.8 1063 386 D S T <4 S+ 0 0 57 -3,-0.7 4,-0.3 1,-0.2 -2,-0.2 0.835 113.7 46.6 -71.2 -31.9 -54.3 25.8 -16.8 1064 387 D L S X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.501 89.3 97.3 -83.1 -6.9 -54.2 26.1 -20.6 1065 388 D K H > S+ 0 0 92 -3,-0.4 4,-2.4 -5,-0.2 -1,-0.2 0.892 77.3 48.7 -54.1 -54.7 -54.3 29.9 -20.4 1066 389 D P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.895 117.2 42.5 -58.6 -42.7 -50.6 30.8 -20.7 1067 390 D C H > S+ 0 0 1 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.875 113.5 52.9 -66.9 -39.9 -50.1 28.6 -23.8 1068 391 D L H X S+ 0 0 9 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.800 105.4 55.8 -66.2 -32.1 -53.4 29.8 -25.2 1069 392 D M H X S+ 0 0 61 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.960 112.0 41.3 -61.1 -53.7 -52.2 33.4 -24.8 1070 393 D D H X S+ 0 0 47 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.869 114.3 51.4 -63.0 -41.7 -49.1 32.8 -26.9 1071 394 D L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.815 107.5 53.3 -69.9 -32.6 -50.8 30.7 -29.5 1072 395 D H H X S+ 0 0 14 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.905 110.9 47.2 -62.7 -43.6 -53.4 33.3 -30.0 1073 396 D Q H X S+ 0 0 90 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.846 111.4 50.0 -68.3 -36.9 -50.7 35.9 -30.6 1074 397 D T H X S+ 0 0 21 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.876 111.0 50.3 -67.4 -39.4 -48.8 33.6 -33.0 1075 398 D Y H < S+ 0 0 5 -4,-1.9 3,-0.2 2,-0.2 -2,-0.2 0.857 112.7 46.1 -65.8 -39.2 -52.1 33.0 -34.9 1076 399 D L H < S+ 0 0 60 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 117.3 42.9 -71.8 -37.8 -52.7 36.8 -35.2 1077 400 D K H >X S+ 0 0 118 -4,-2.1 3,-2.2 1,-0.2 4,-1.0 0.466 84.5 107.5 -85.8 -2.8 -49.2 37.5 -36.2 1078 401 D A G >< S+ 0 0 5 -4,-0.5 3,-0.5 1,-0.3 -1,-0.2 0.794 75.4 51.0 -50.3 -42.6 -49.1 34.5 -38.6 1079 402 D P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.689 112.6 49.1 -68.8 -16.2 -49.3 36.6 -41.9 1080 403 D Q G <4 S+ 0 0 141 -3,-2.2 -2,-0.2 -4,-0.1 -3,-0.1 0.573 85.1 112.6 -95.9 -13.8 -46.3 38.7 -40.6 1081 404 D H S << S- 0 0 55 -4,-1.0 -3,-0.0 -3,-0.5 -7,-0.0 -0.324 71.9-130.2 -62.9 140.1 -44.1 35.8 -39.6 1082 405 D A S S+ 0 0 85 2,-0.0 2,-0.4 -2,-0.0 -1,-0.1 0.833 94.8 69.9 -58.2 -34.5 -40.9 35.3 -41.7 1083 406 D Q + 0 0 36 1,-0.1 -2,-0.1 2,-0.0 4,-0.1 -0.761 53.2 161.0 -92.3 130.6 -41.8 31.6 -42.2 1084 407 D Q > + 0 0 43 -2,-0.4 4,-2.2 2,-0.1 5,-0.2 0.475 41.0 102.2-128.7 -8.3 -44.8 31.0 -44.4 1085 408 D S H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.822 85.9 50.7 -53.3 -38.7 -44.7 27.3 -45.6 1086 409 D I H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 109.2 50.0 -66.9 -45.9 -47.4 26.2 -43.1 1087 410 D R H 4 S+ 0 0 44 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.903 114.2 45.3 -57.5 -43.2 -49.8 29.0 -44.1 1088 411 D E H >< S+ 0 0 101 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.877 111.7 53.1 -68.3 -39.6 -49.4 28.1 -47.8 1089 412 D K H >< S+ 0 0 7 -4,-2.2 3,-1.0 1,-0.2 6,-0.3 0.896 107.9 50.1 -59.2 -45.2 -49.7 24.3 -47.0 1090 413 D Y T 3< S+ 0 0 0 -4,-2.4 9,-1.8 1,-0.2 10,-0.4 0.200 92.1 77.1 -88.0 15.2 -53.0 24.9 -45.2 1091 414 D K T < S+ 0 0 82 -3,-1.1 -1,-0.2 8,-0.2 -2,-0.2 0.661 76.5 101.3 -87.1 -23.1 -54.5 26.9 -48.0 1092 415 D N S X >S- 0 0 83 -3,-1.0 5,-2.0 -4,-0.4 3,-1.1 -0.213 86.2-116.5 -65.4 151.2 -55.1 23.7 -50.0 1093 416 D S G > 5S+ 0 0 110 1,-0.2 3,-1.1 3,-0.2 -1,-0.1 0.740 112.3 69.9 -54.5 -28.0 -58.5 21.9 -50.3 1094 417 D K G 3 5S+ 0 0 146 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.889 108.2 33.8 -58.5 -42.7 -56.9 19.0 -48.4 1095 418 D Y G X 5S- 0 0 19 -3,-1.1 3,-1.4 -6,-0.3 -1,-0.3 0.090 117.5-111.9-103.4 20.4 -56.8 21.0 -45.2 1096 419 D H T < 5 - 0 0 90 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.703 53.9 -81.9 61.5 25.2 -60.0 22.9 -46.0 1097 420 D G T >