==== 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 4EOL . 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, . 1108 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 707 63.8 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 . 83 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 46 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 410 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 9 2 2 4 2 0 2 1 3 1 5 1 5 6 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 . 0 4 2 0 2 3 3 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 99 0, 0.0 3,-0.4 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0-177.5 -16.7 -8.5 35.3 2 1 A M > + 0 0 30 1,-0.2 3,-0.6 2,-0.1 70,-0.0 0.031 360.0 112.4-101.9 24.9 -14.6 -11.6 36.0 3 2 A E T 3 S+ 0 0 51 1,-0.2 -1,-0.2 3,-0.1 22,-0.0 0.872 80.1 46.2 -58.4 -39.8 -15.3 -11.5 39.7 4 3 A N T 3 S+ 0 0 32 -3,-0.4 21,-3.7 20,-0.1 2,-0.5 0.494 97.5 83.4 -91.0 -6.2 -17.3 -14.8 39.4 5 4 A F E < -A 24 0A 29 -3,-0.6 2,-0.6 19,-0.2 19,-0.2 -0.866 59.7-159.5-102.5 131.5 -14.8 -16.7 37.3 6 5 A Q E -A 23 0A 89 17,-2.7 17,-1.8 -2,-0.5 2,-0.4 -0.947 20.6-130.7-108.9 115.6 -11.8 -18.6 38.8 7 6 A K E +A 22 0A 77 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.517 25.9 179.4 -68.7 118.1 -9.0 -19.3 36.4 8 7 A V E - 0 0 70 13,-2.6 2,-0.3 -2,-0.4 14,-0.2 0.945 59.1 -34.0 -83.1 -57.8 -8.0 -23.0 36.7 9 8 A E E -A 21 0A 116 12,-1.7 12,-3.4 0, 0.0 2,-0.3 -0.980 53.8-103.0-163.9 152.4 -5.2 -23.1 34.1 10 9 A K E -A 20 0A 116 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.646 31.1-178.6 -73.7 132.8 -3.9 -21.8 30.7 11 10 A I E - 0 0 84 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.534 48.6 -71.7-114.1 -10.8 -4.5 -24.4 28.0 12 11 A G E -A 19 0A 27 7,-1.2 7,-3.0 2,-0.0 2,-0.4 -0.895 40.0 -84.6 151.0-178.0 -3.1 -22.7 24.9 13 12 A E E -A 18 0A 140 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.955 34.6-180.0-121.7 145.6 -3.2 -20.1 22.2 14 13 A G - 0 0 15 3,-0.8 2,-2.9 2,-0.5 133,-0.1 -0.840 62.7 -38.6-153.9 117.6 -5.1 -20.4 19.0 15 14 A T S S- 0 0 56 -2,-0.3 2,-0.3 131,-0.0 32,-0.1 -0.346 129.0 -1.4 71.5 -60.3 -5.5 -17.9 16.0 16 15 A Y S S+ 0 0 25 -2,-2.9 -2,-0.5 1,-0.1 131,-0.1 -0.975 112.5 6.4-154.3 153.0 -5.7 -15.0 18.5 17 16 A G S S- 0 0 29 -2,-0.3 -3,-0.8 -4,-0.1 2,-0.4 0.069 82.8 -70.8 66.8-177.4 -5.6 -14.5 22.3 18 17 A V E -AB 13 35A 8 17,-1.3 17,-2.5 -5,-0.2 2,-0.5 -0.963 37.8-142.4-120.2 129.4 -5.0 -17.0 25.1 19 18 A V E -AB 12 34A 30 -7,-3.0 -8,-2.4 -2,-0.4 -7,-1.2 -0.788 21.1-174.9 -95.7 129.9 -7.5 -19.7 26.1 20 19 A Y E -AB 10 33A 38 13,-3.2 13,-2.4 -2,-0.5 2,-0.5 -0.855 25.1-128.9-117.3 155.7 -7.9 -20.6 29.7 21 20 A K E +AB 9 32A 66 -12,-3.4 -13,-2.6 -2,-0.3 -12,-1.7 -0.910 43.2 163.2 -97.1 131.2 -9.9 -23.2 31.6 22 21 A A E -AB 7 31A 0 9,-3.0 9,-2.8 -2,-0.5 2,-0.4 -0.876 30.8-128.9-143.3 176.5 -12.0 -21.7 34.4 23 22 A R E -AB 6 30A 99 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.8 -0.991 20.1-125.1-134.4 133.5 -14.9 -22.2 36.8 24 23 A N E > -A 5 0A 6 5,-3.1 4,-2.6 -2,-0.4 -19,-0.2 -0.719 22.9-151.8 -76.5 113.1 -18.0 -20.1 37.5 25 24 A K T 4 S+ 0 0 89 -21,-3.7 -1,-0.1 -2,-0.8 -20,-0.1 0.653 89.1 42.4 -64.7 -17.3 -17.7 -19.7 41.3 26 25 A L T 4 S+ 0 0 6 -22,-0.4 -1,-0.2 3,-0.1 911,-0.1 0.803 127.1 24.7 -99.7 -35.2 -21.5 -19.4 41.8 27 26 A T T 4 S- 0 0 0 -3,-0.2 904,-2.9 2,-0.1 907,-0.3 0.548 94.5-126.7-107.6 -15.8 -22.9 -22.1 39.5 28 27 A G < + 0 0 6 -4,-2.6 -3,-0.1 1,-0.3 902,-0.1 0.244 53.6 155.2 85.8 -12.2 -19.9 -24.5 39.3 29 28 A E - 0 0 26 900,-0.4 -5,-3.1 -6,-0.1 2,-0.5 -0.211 40.7-136.0 -55.8 129.8 -20.0 -24.4 35.5 30 29 A V E +B 23 0A 57 -7,-0.2 52,-0.9 52,-0.1 2,-0.3 -0.767 35.2 174.4 -84.0 128.3 -16.6 -25.2 33.9 31 30 A V E -BC 22 81A 0 -9,-2.8 -9,-3.0 -2,-0.5 2,-0.4 -0.852 32.7-123.7-130.1 166.5 -15.9 -22.8 31.1 32 31 A A E -BC 21 80A 11 48,-2.1 48,-2.9 -2,-0.3 2,-0.5 -0.950 24.9-158.4-107.2 133.2 -13.2 -21.8 28.6 33 32 A L E -BC 20 79A 0 -13,-2.4 -13,-3.2 -2,-0.4 2,-0.6 -0.962 5.6-161.3-114.7 125.7 -12.1 -18.2 28.6 34 33 A K E -BC 19 78A 6 44,-2.4 44,-2.1 -2,-0.5 2,-0.3 -0.929 17.0-155.4-104.5 113.5 -10.5 -16.5 25.6 35 34 A K E -BC 18 77A 29 -17,-2.5 -17,-1.3 -2,-0.6 2,-0.4 -0.673 11.2-171.0 -92.3 139.8 -8.6 -13.4 26.7 36 35 A I E - C 0 76A 10 40,-1.6 40,-2.4 -2,-0.3 2,-0.5 -0.988 14.6-145.8-129.3 121.1 -7.8 -10.4 24.4 37 36 A R E C 0 75A 165 -2,-0.4 38,-0.2 38,-0.2 -20,-0.1 -0.774 360.0 360.0 -85.4 124.1 -5.6 -7.6 25.5 38 37 A L 0 0 36 36,-2.3 3,-0.3 -2,-0.5 6,-0.1 -0.668 360.0 360.0 -90.6 360.0 -6.7 -4.3 24.0 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 40 A E 0 0 117 0, 0.0 2,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 105.3 -2.1 -3.5 20.2 41 41 A T + 0 0 60 -3,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.519 360.0 115.2 -85.3 65.8 -4.2 -0.4 20.9 42 42 A E S S- 0 0 68 -2,-1.6 -1,-0.2 1,-0.6 2,-0.1 0.057 82.9-112.0-115.5 18.5 -6.1 -0.6 17.6 43 43 A G S S- 0 0 8 -3,-0.2 -1,-0.6 2,-0.0 372,-0.1 -0.419 74.4 -7.6 78.4-161.0 -9.3 -1.3 19.4 44 44 A V S S- 0 0 0 371,-0.2 2,-0.1 -2,-0.1 345,-0.1 -0.528 85.0-116.1 -68.3 128.9 -11.2 -4.6 19.2 45 45 A P >> - 0 0 43 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.378 12.9-121.1 -71.6 147.3 -9.4 -6.8 16.6 46 46 A S H 3> S+ 0 0 37 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.770 113.5 59.9 -56.0 -28.3 -11.2 -7.9 13.5 47 47 A T H 3> S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.887 109.2 41.6 -68.6 -39.6 -10.6 -11.6 14.6 48 48 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.926 115.0 51.5 -71.1 -45.4 -12.6 -11.0 17.8 49 49 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 380,-0.2 0.901 114.7 43.0 -56.7 -43.9 -15.2 -9.0 15.9 50 50 A R H X S+ 0 0 10 -4,-2.5 4,-1.9 -5,-0.2 5,-0.3 0.916 113.7 49.3 -72.3 -46.4 -15.6 -11.7 13.3 51 51 A E H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.911 112.5 49.0 -60.3 -42.8 -15.6 -14.7 15.7 52 52 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.961 113.1 42.1 -68.2 -52.2 -18.2 -13.1 18.0 53 53 A S H X S+ 0 0 1 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.849 119.7 45.2 -64.2 -33.0 -20.9 -12.0 15.5 54 54 A L H >X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 3,-0.7 0.944 111.8 49.7 -76.1 -45.8 -20.5 -15.3 13.6 55 55 A L H 3< S+ 0 0 5 -4,-2.6 11,-0.3 -5,-0.3 -2,-0.2 0.803 109.6 53.8 -61.3 -29.5 -20.6 -17.5 16.7 56 56 A K H 3< S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.755 110.1 47.7 -75.0 -25.4 -23.7 -15.7 17.8 57 57 A E H << S+ 0 0 33 -4,-0.8 2,-0.9 -3,-0.7 -2,-0.2 0.830 101.8 75.1 -77.1 -33.5 -25.3 -16.4 14.5 58 58 A L < + 0 0 4 -4,-2.0 2,-0.6 6,-0.1 -1,-0.1 -0.696 49.9 167.6 -96.8 99.2 -24.4 -20.1 14.6 59 59 A N + 0 0 131 -2,-0.9 5,-0.1 6,-0.1 6,-0.1 -0.928 25.1 134.2-105.2 112.7 -26.3 -22.4 16.9 60 60 A H > - 0 0 37 -2,-0.6 3,-2.0 3,-0.4 54,-0.0 -0.979 63.3-119.3-156.8 141.4 -25.5 -26.0 16.1 61 61 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.684 115.9 47.4 -57.0 -18.1 -24.7 -29.2 18.2 62 62 A N T 3 S+ 0 0 6 80,-0.1 81,-3.0 48,-0.1 2,-0.4 0.211 97.8 78.0-113.0 14.9 -21.3 -29.4 16.3 63 63 A I B < S-e 143 0B 2 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.989 92.9-101.8-118.5 135.3 -20.3 -25.8 16.6 64 64 A V - 0 0 5 79,-2.7 2,-0.6 -2,-0.4 -2,-0.1 -0.195 37.2-119.3 -55.3 140.8 -18.8 -24.6 20.0 65 65 A K - 0 0 105 -4,-0.1 16,-1.9 -6,-0.1 2,-0.6 -0.740 16.0-150.4 -91.3 120.2 -21.2 -22.6 22.1 66 66 A L E -D 80 0A 31 -2,-0.6 14,-0.3 -11,-0.3 3,-0.1 -0.818 15.6-178.6 -87.2 123.2 -20.3 -19.0 23.0 67 67 A L E - 0 0 67 12,-3.5 2,-0.3 -2,-0.6 13,-0.2 0.790 54.6 -16.0 -95.1 -31.2 -21.9 -18.3 26.4 68 68 A D E -D 79 0A 86 11,-1.3 11,-2.6 2,-0.0 2,-0.4 -0.987 46.3-135.5-169.9 160.9 -21.0 -14.7 27.0 69 69 A V E -D 78 0A 34 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 24.3-171.9-134.8 126.7 -18.8 -11.7 26.2 70 70 A I E -D 77 0A 15 7,-2.3 7,-2.9 -2,-0.4 2,-0.5 -0.956 10.8-161.6-128.2 133.4 -17.2 -9.6 28.9 71 71 A H E +D 76 0A 43 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.962 13.0 174.6-113.7 125.2 -15.3 -6.3 28.7 72 72 A T - 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0 0 4 42,-0.2 2,-0.2 -6,-0.1 -3,-0.1 -0.796 57.0-168.1-113.1 151.9 -29.0 -31.6 37.2 889 207 D T > - 0 0 69 -2,-0.3 4,-2.0 1,-0.0 5,-0.2 -0.742 41.7 -96.6-126.9 173.2 -32.3 -33.6 36.7 890 208 D N H > S+ 0 0 58 -2,-0.2 4,-2.2 1,-0.2 136,-0.3 0.829 122.6 57.1 -57.2 -34.9 -36.0 -33.2 37.2 891 209 D S H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 104.8 49.1 -67.2 -42.0 -35.7 -35.1 40.5 892 210 D M H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 111.5 49.8 -62.2 -45.8 -33.1 -32.6 41.9 893 211 D R H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.894 107.6 55.5 -57.6 -42.7 -35.4 -29.8 40.9 894 212 D A H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.937 107.5 48.0 -54.0 -51.4 -38.2 -31.6 42.7 895 213 D I H X S+ 0 0 94 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.860 112.5 51.0 -57.4 -39.2 -36.2 -31.8 45.9 896 214 D L H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.942 110.1 45.8 -66.4 -50.7 -35.4 -28.1 45.6 897 215 D V H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.917 111.8 52.5 -61.8 -43.9 -39.0 -26.8 45.1 898 216 D D H X S+ 0 0 21 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.869 108.2 51.6 -58.4 -39.2 -40.3 -29.0 48.0 899 217 D W H X S+ 0 0 43 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.883 105.5 55.5 -65.0 -39.2 -37.6 -27.5 50.2 900 218 D L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.815 102.6 56.2 -62.8 -32.1 -38.8 -24.1 49.2 901 219 D V H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.938 106.1 50.8 -62.0 -47.7 -42.3 -25.0 50.3 902 220 D E H X S+ 0 0 121 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.838 110.1 50.2 -55.9 -38.7 -40.8 -25.8 53.8 903 221 D V H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 6,-0.2 0.942 106.8 53.3 -68.7 -48.3 -39.1 -22.4 53.8 904 222 D G H <>S+ 0 0 2 -4,-2.4 5,-2.9 1,-0.2 -2,-0.2 0.836 113.6 44.2 -51.3 -37.9 -42.3 -20.5 52.9 905 223 D E H <5S+ 0 0 63 -4,-1.7 3,-0.4 3,-0.2 -1,-0.2 0.798 109.8 54.5 -82.5 -30.9 -44.0 -22.2 55.8 906 224 D E H <5S+ 0 0 137 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.8 33.9 -65.2 -37.5 -41.2 -21.7 58.3 907 225 D Y T <5S- 0 0 50 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.226 109.3-117.1-106.9 13.8 -41.3 -17.9 57.5 908 226 D K T 5 + 0 0 184 -3,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.810 54.4 173.0 55.2 35.3 -45.0 -17.5 57.0 909 227 D L < - 0 0 7 -5,-2.9 -1,-0.2 -6,-0.2 38,-0.0 -0.359 35.2-100.0 -74.9 152.2 -44.4 -16.5 53.3 910 228 D Q > - 0 0 80 1,-0.1 4,-1.2 -2,-0.1 3,-0.2 -0.321 22.9-124.0 -65.2 150.5 -47.2 -16.0 50.8 911 229 D N H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.842 112.5 62.2 -59.4 -36.0 -47.9 -18.7 48.3 912 230 D E H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 98.5 54.2 -60.7 -40.9 -47.3 -16.1 45.5 913 231 D T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 107.9 51.4 -55.6 -46.0 -43.7 -15.7 46.7 914 232 D L H X S+ 0 0 3 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.913 110.4 47.0 -60.6 -46.2 -43.2 -19.5 46.3 915 233 D H H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.916 111.7 51.7 -62.8 -43.6 -44.6 -19.5 42.8 916 234 D L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 106.5 53.1 -58.8 -49.7 -42.4 -16.5 41.8 917 235 D A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.921 107.6 51.5 -51.4 -49.3 -39.2 -18.1 43.1 918 236 D V H X S+ 0 0 3 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.901 108.2 51.9 -58.4 -43.1 -39.9 -21.2 41.0 919 237 D N H X S+ 0 0 20 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.915 109.9 49.7 -57.0 -44.0 -40.4 -19.1 37.8 920 238 D Y H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 111.6 48.2 -61.8 -49.3 -37.0 -17.4 38.5 921 239 D I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.942 112.5 47.3 -55.0 -53.8 -35.3 -20.7 39.0 922 240 D D H X S+ 0 0 6 -4,-2.8 4,-0.6 1,-0.2 -44,-0.3 0.892 114.7 46.3 -60.9 -40.4 -36.7 -22.3 35.8 923 241 D R H X S+ 0 0 32 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.850 112.5 51.6 -68.2 -35.9 -35.9 -19.1 33.8 924 242 D F H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-1.3 0.942 108.9 48.7 -65.0 -48.6 -32.4 -19.0 35.3 925 243 D L H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.610 100.5 67.7 -70.6 -11.2 -31.6 -22.7 34.4 926 244 D S H 3< S+ 0 0 21 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.800 116.0 24.9 -74.4 -28.7 -32.8 -22.0 30.9 927 245 D S H << S+ 0 0 85 -3,-1.3 2,-0.4 -4,-0.7 -2,-0.2 0.836 121.3 52.6 -97.6 -46.3 -29.8 -19.8 30.4 928 246 D M < - 0 0 35 -4,-2.8 2,-0.3 -5,-0.1 -1,-0.1 -0.783 69.8-134.0-106.3 136.1 -27.2 -21.1 32.9 929 247 D S - 0 0 33 -2,-0.4 -900,-0.4 -3,-0.1 2,-0.4 -0.681 28.7-167.5 -78.3 136.8 -25.8 -24.5 33.5 930 248 D V - 0 0 2 -2,-0.3 -43,-0.3 -902,-0.1 -902,-0.2 -0.994 17.1-131.4-132.8 131.9 -25.6 -25.3 37.3 931 249 D L > - 0 0 73 -904,-2.9 3,-1.9 -2,-0.4 4,-0.5 -0.493 32.2-110.6 -75.4 151.7 -23.9 -28.2 39.1 932 250 D R G > S+ 0 0 148 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.828 115.7 57.2 -53.8 -38.2 -26.0 -30.1 41.7 933 251 D G G 3 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.644 109.2 46.3 -69.5 -16.1 -24.1 -28.7 44.7 934 252 D K G <> S+ 0 0 53 -3,-1.9 4,-1.4 -907,-0.3 3,-0.3 0.400 86.7 90.9-103.8 -0.8 -24.9 -25.1 43.6 935 253 D L H <> S+ 0 0 9 -3,-1.1 4,-2.1 -4,-0.5 -2,-0.1 0.889 82.8 53.7 -66.8 -41.8 -28.6 -25.7 42.9 936 254 D Q H > S+ 0 0 55 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.798 104.9 58.1 -62.3 -28.3 -29.8 -24.9 46.5 937 255 D L H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.912 105.5 47.1 -68.7 -43.8 -27.9 -21.6 46.1 938 256 D V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.929 113.6 50.2 -60.1 -44.5 -29.9 -20.6 43.0 939 257 D G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.911 109.4 50.8 -60.1 -46.1 -33.1 -21.6 44.9 940 258 D T H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.932 112.1 45.3 -57.7 -51.4 -32.1 -19.5 47.9 941 259 D A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.892 112.6 51.7 -63.2 -41.6 -31.4 -16.3 45.9 942 260 D A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.900 111.0 47.6 -60.1 -43.4 -34.6 -16.8 43.9 943 261 D M H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.883 111.9 50.8 -66.0 -37.5 -36.6 -17.1 47.1 944 262 D L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 112.4 46.4 -63.9 -43.8 -34.9 -14.1 48.5 945 263 D L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.908 111.7 50.0 -65.3 -45.5 -35.7 -12.1 45.4 946 264 D A H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.4 0.886 111.0 50.6 -61.1 -39.1 -39.3 -13.2 45.3 947 265 D S H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.905 110.3 49.0 -65.1 -43.1 -39.7 -12.2 49.0 948 266 D K H < S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 118.1 40.9 -61.7 -42.6 -38.2 -8.8 48.3 949 267 D F H < S+ 0 0 7 -4,-2.5 -2,-0.2 -5,-0.1 -239,-0.2 0.936 130.5 22.8 -70.2 -47.5 -40.6 -8.3 45.3 950 268 D E H < S+ 0 0 11 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.861 100.6 84.3 -95.5 -40.3 -43.8 -9.8 46.9 951 269 D E < - 0 0 16 -4,-1.8 -42,-0.0 -5,-0.4 -233,-0.0 -0.396 56.2-151.5 -77.3 142.1 -43.6 -9.7 50.7 952 270 D I S S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.1 -234,-0.0 0.971 102.5 22.8 -64.3 -57.2 -44.5 -6.8 52.9 953 271 D Y S S- 0 0 176 3,-0.0 -1,-0.3 -234,-0.0 -5,-0.1 -0.827 86.4-169.2-112.4 88.9 -42.0 -8.0 55.5 954 272 D P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.445 31.9-101.5 -72.8 151.9 -39.5 -10.2 53.8 955 273 D P - 0 0 13 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.509 45.1-107.4 -66.8 143.5 -37.1 -12.2 55.9 956 274 D E >> - 0 0 106 -2,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.198 30.5-102.3 -66.4 164.4 -33.6 -10.5 56.0 957 275 D V H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.892 119.1 62.2 -56.4 -43.5 -30.7 -12.0 54.1 958 276 D A H 3> S+ 0 0 49 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.842 100.3 54.2 -50.7 -40.3 -29.2 -13.6 57.3 959 277 D E H <> S+ 0 0 74 -3,-0.7 4,-1.6 1,-0.2 -1,-0.3 0.811 106.9 50.0 -68.6 -32.3 -32.4 -15.7 57.7 960 278 D F H << S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.807 109.6 52.1 -72.2 -33.5 -32.0 -17.1 54.2 961 279 D V H >< S+ 0 0 28 -4,-1.9 3,-1.0 1,-0.1 7,-0.3 0.890 108.0 54.2 -64.8 -40.5 -28.4 -17.9 54.9 962 280 D Y H >< S+ 0 0 178 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.918 100.9 54.1 -62.5 -50.1 -29.5 -19.8 58.1 963 281 D I T 3< S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.421 102.8 62.9 -70.5 5.9 -32.0 -22.2 56.6 964 282 D T T X S- 0 0 3 -3,-1.0 3,-0.7 1,-0.3 -1,-0.3 0.526 98.1-145.2-101.5 -9.8 -29.3 -23.3 54.3 965 283 D D T < - 0 0 123 -3,-2.5 -1,-0.3 1,-0.2 3,-0.3 -0.525 58.2 -35.3 73.5-143.5 -27.1 -24.6 57.1 966 284 D D T 3 S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.188 115.5 98.1 -98.1 20.2 -23.3 -24.2 56.8 967 285 D T S < S+ 0 0 74 -3,-0.7 2,-0.3 -6,-0.2 -1,-0.2 0.946 84.8 22.5 -74.4 -51.5 -23.6 -24.7 53.0 968 286 D Y - 0 0 17 -7,-0.3 2,-0.2 -3,-0.3 -1,-0.1 -0.886 69.2-136.3-122.6 150.5 -23.5 -21.2 51.7 969 287 D T > - 0 0 76 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.489 30.7-107.1 -96.2 169.5 -22.3 -17.8 53.1 970 288 D K H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 120.7 54.6 -59.6 -46.7 -23.9 -14.4 53.0 971 289 D K H > S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 108.6 48.8 -51.4 -51.9 -21.4 -13.2 50.3 972 290 D Q H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 110.9 49.0 -57.0 -48.3 -22.4 -16.2 48.1 973 291 D V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.907 114.6 44.9 -62.0 -43.6 -26.2 -15.5 48.5 974 292 D L H X S+ 0 0 6 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.871 113.2 50.2 -68.0 -39.4 -25.8 -11.8 47.7 975 293 D R H X S+ 0 0 74 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.870 112.0 48.0 -67.3 -36.6 -23.5 -12.5 44.7 976 294 D M H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.877 105.8 58.3 -68.7 -40.0 -26.0 -15.1 43.4 977 295 D E H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.943 107.7 47.9 -50.7 -50.6 -28.8 -12.6 43.9 978 296 D H H X S+ 0 0 15 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 111.6 49.8 -54.6 -48.4 -26.9 -10.3 41.5 979 297 D L H X S+ 0 0 21 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.913 109.9 49.8 -61.7 -45.8 -26.3 -13.1 39.0 980 298 D V H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.945 111.9 48.7 -56.9 -50.8 -30.0 -14.1 38.9 981 299 D L H <>S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 4,-0.4 0.888 113.0 47.2 -54.7 -45.3 -31.1 -10.5 38.4 982 300 D K H <5S+ 0 0 72 -4,-2.3 3,-0.4 3,-0.2 -1,-0.2 0.890 114.4 46.3 -68.4 -39.5 -28.6 -10.1 35.6 983 301 D V H <5S+ 0 0 36 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 118.5 41.6 -68.3 -39.3 -29.6 -13.3 33.9 984 302 D L T ><5S- 0 0 6 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.2 0.440 108.6-128.8 -84.5 0.4 -33.3 -12.4 34.3 985 303 D T T 3 5 - 0 0 70 -3,-0.4 -3,-0.2 -4,-0.4 -4,-0.1 0.877 60.8 -67.9 45.8 45.1 -32.5 -8.9 33.3 986 304 D F T 3 - 0 0 6 -2,-0.2 4,-1.3 1,-0.1 3,-0.2 -0.828 37.6-110.4-123.3 163.6 -48.1 -17.3 38.2 993 311 D V H > S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.871 120.5 57.8 -52.2 -40.2 -50.6 -20.1 38.6 994 312 D N H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 101.1 53.9 -60.7 -41.6 -51.6 -18.3 41.8 995 313 D Q H > S+ 0 0 22 -3,-0.2 4,-0.8 1,-0.2 -282,-0.4 0.797 112.3 43.8 -66.6 -32.0 -52.4 -15.0 40.0 996 314 D F H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.853 109.3 57.6 -79.9 -37.3 -54.8 -16.8 37.6 997 315 D L H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.889 103.3 52.2 -58.1 -43.9 -56.4 -18.8 40.4 998 316 D T H < S+ 0 0 31 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.844 110.7 48.6 -64.2 -35.0 -57.4 -15.7 42.4 999 317 D Q H >< S+ 0 0 3 -4,-0.8 3,-0.8 1,-0.2 -1,-0.2 0.898 112.8 48.1 -66.1 -43.6 -59.1 -14.3 39.3 1000 318 D Y H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.858 99.3 67.8 -65.6 -37.5 -60.9 -17.7 38.7 1001 319 D F G >< S+ 0 0 14 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.702 88.1 66.7 -58.2 -22.8 -62.1 -17.9 42.4 1002 320 D L G < S+ 0 0 96 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 0.520 90.3 65.7 -77.7 -5.2 -64.4 -14.9 41.9 1003 321 D H G < S+ 0 0 44 -3,-2.2 -1,-0.2 -4,-0.1 54,-0.2 0.211 72.9 125.5-102.0 11.8 -66.5 -17.0 39.5 1004 322 D Q < - 0 0 16 -3,-1.1 3,-0.5 1,-0.1 -3,-0.0 -0.476 66.1-124.4 -68.8 142.9 -67.6 -19.4 42.3 1005 323 D Q S S- 0 0 160 1,-0.6 2,-0.1 -2,-0.2 -1,-0.1 -0.789 102.4 -7.3-125.9 83.9 -71.4 -19.9 42.6 1006 324 D P S S- 0 0 113 0, 0.0 -1,-0.6 0, 0.0 -3,-0.1 0.740 102.6 -93.6 -97.1-177.1 -71.1 -19.1 45.5 1007 325 D A - 0 0 79 -3,-0.5 2,-0.5 -5,-0.1 -5,-0.1 -0.250 42.0-171.0 -54.5 120.4 -67.6 -18.6 47.0 1008 326 D N > - 0 0 61 -7,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.942 16.7-161.3-123.6 111.9 -66.5 -21.8 48.7 1009 327 D C H > S+ 0 0 69 -2,-0.5 4,-1.0 1,-0.2 -1,-0.1 0.567 91.3 58.4 -73.9 -10.5 -63.3 -21.8 50.9 1010 328 D K H > S+ 0 0 116 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.888 108.7 45.9 -74.5 -45.1 -62.8 -25.6 50.7 1011 329 D V H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.894 110.6 53.7 -63.5 -43.5 -62.7 -25.4 46.9 1012 330 D E H X S+ 0 0 47 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.916 108.8 48.2 -56.7 -47.7 -60.3 -22.5 47.0 1013 331 D S H X S+ 0 0 7 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.791 110.8 49.9 -68.9 -32.1 -57.8 -24.2 49.3 1014 332 D L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.853 107.8 53.4 -75.5 -37.2 -57.7 -27.4 47.2 1015 333 D A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.894 110.1 48.4 -62.0 -41.2 -57.1 -25.6 44.0 1016 334 D M H X S+ 0 0 36 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.908 110.9 51.5 -62.6 -43.2 -54.1 -23.9 45.6 1017 335 D F H X S+ 0 0 1 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.922 113.5 43.8 -57.7 -48.3 -52.9 -27.3 46.8 1018 336 D L H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.907 112.6 51.4 -67.1 -45.5 -53.2 -28.7 43.3 1019 337 D G H >X S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 4,-0.5 0.922 108.1 53.1 -54.0 -47.2 -51.6 -25.7 41.7 1020 338 D E H >< S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.3 4,-0.4 0.830 101.7 60.0 -61.2 -33.9 -48.7 -25.9 44.1 1021 339 D L H >X S+ 0 0 17 -4,-1.4 3,-1.0 1,-0.2 4,-0.7 0.786 94.2 64.5 -64.7 -28.8 -48.1 -29.6 43.2 1022 340 D S H << S+ 0 0 7 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.745 92.6 63.0 -67.2 -24.6 -47.5 -28.7 39.6 1023 341 D L T << S+ 0 0 18 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.705 95.0 61.3 -73.2 -21.5 -44.3 -26.7 40.6 1024 342 D I T <4 S+ 0 0 4 -3,-1.0 2,-0.7 -4,-0.4 -1,-0.2 0.874 100.7 52.5 -74.5 -39.4 -42.6 -29.9 41.9 1025 343 D D X - 0 0 33 -4,-0.7 4,-0.9 1,-0.2 -1,-0.2 -0.857 54.9-174.8-112.0 101.9 -42.5 -31.9 38.6 1026 344 D A H > + 0 0 5 -2,-0.7 4,-2.9 -136,-0.3 5,-0.3 0.903 66.7 93.5 -53.5 -46.0 -41.0 -30.1 35.6 1027 345 D D H 4 S- 0 0 115 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 -0.870 106.8 -7.8 -91.1 113.3 -42.1 -33.2 33.6 1028 346 D P H >4 S+ 0 0 18 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.998 127.7 63.0-105.1 -9.3 -44.8 -32.6 32.5 1029 347 D Y H >< S+ 0 0 6 -4,-0.9 3,-1.4 1,-0.3 -2,-0.2 0.578 86.9 76.3 -57.6 -16.2 -46.1 -29.3 33.9 1030 348 D L T 3< S+ 0 0 21 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.699 90.9 56.3 -68.2 -20.7 -43.3 -27.1 32.4 1031 349 D K T < S+ 0 0 112 -3,-2.1 2,-0.4 -5,-0.3 -1,-0.3 0.428 95.0 83.9 -90.7 -2.0 -44.9 -27.3 29.0 1032 350 D Y S < S- 0 0 36 -3,-1.4 0, 0.0 -4,-0.2 0, 0.0 -0.886 80.3-124.0-106.1 134.6 -48.2 -25.9 30.4 1033 351 D L >> - 0 0 35 -2,-0.4 4,-2.2 1,-0.1 3,-1.4 -0.453 26.7-112.6 -71.9 144.0 -48.8 -22.2 30.8 1034 352 D P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.790 117.9 55.5 -44.3 -37.1 -49.8 -20.9 34.3 1035 353 D S H 3> S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -166,-0.0 0.819 109.6 45.8 -69.0 -33.4 -53.3 -20.0 33.0 1036 354 D V H <> S+ 0 0 22 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.928 112.7 48.9 -74.1 -48.6 -53.9 -23.6 31.7 1037 355 D I H X S+ 0 0 10 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.901 111.9 49.6 -57.0 -44.4 -52.6 -25.2 35.0 1038 356 D A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.832 109.2 53.6 -65.7 -34.4 -54.8 -22.9 37.1 1039 357 D G H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.943 112.7 42.1 -61.6 -50.2 -57.7 -23.8 34.9 1040 358 D A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.927 114.3 51.2 -64.6 -46.3 -57.2 -27.5 35.4 1041 359 D A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.899 110.9 48.4 -57.4 -45.9 -56.5 -27.2 39.1 1042 360 D F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.908 113.6 46.0 -64.1 -46.0 -59.6 -25.1 39.7 1043 361 D H H X S+ 0 0 3 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.945 113.0 50.8 -59.1 -49.2 -61.9 -27.6 37.8 1044 362 D L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.862 113.8 43.9 -58.7 -39.9 -60.3 -30.5 39.6 1045 363 D A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 5,-0.3 0.863 114.7 50.4 -71.4 -37.6 -60.9 -28.8 43.0 1046 364 D L H X>S+ 0 0 8 -4,-2.5 4,-1.8 -5,-0.2 5,-1.6 0.903 112.3 46.2 -66.3 -44.3 -64.4 -27.9 41.9 1047 365 D Y H <5S+ 0 0 66 -4,-3.4 -2,-0.2 4,-0.3 -1,-0.2 0.902 111.8 52.4 -64.6 -42.9 -65.2 -31.4 40.8 1048 366 D T H <5S+ 0 0 34 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.911 120.2 28.3 -61.7 -48.1 -63.8 -33.0 43.9 1049 367 D V H <5S+ 0 0 49 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.907 140.3 11.3 -84.9 -46.6 -65.7 -31.0 46.5 1050 368 D T T <5S- 0 0 63 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.726 89.0-122.7-107.8 -30.4 -69.0 -30.0 44.8 1051 369 D G < + 0 0 45 -5,-1.6 -4,-0.3 1,-0.3 2,-0.2 0.528 64.9 140.2 90.2 10.2 -69.1 -32.0 41.7 1052 370 D Q - 0 0 85 -6,-1.2 -1,-0.3 1,-0.1 2,-0.2 -0.510 44.4-129.2 -87.0 154.6 -69.4 -28.9 39.6 1053 371 D S - 0 0 73 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.617 45.2 -63.3-101.8 160.4 -67.6 -28.3 36.2 1054 372 D W S S- 0 0 13 -2,-0.2 -1,-0.2 1,-0.1 12,-0.1 -0.200 74.7-114.4 -35.1 114.9 -65.4 -25.5 34.8 1055 373 D P >> - 0 0 26 0, 0.0 3,-0.9 0, 0.0 4,-0.9 -0.206 8.0-119.3 -74.1 155.8 -68.1 -22.8 34.9 1056 374 D E H >> S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.838 110.6 60.1 -59.3 -37.8 -69.6 -21.1 31.9 1057 375 D S H 3> S+ 0 0 33 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.729 103.1 50.9 -67.5 -24.5 -68.3 -17.6 32.9 1058 376 D L H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 6,-0.5 0.690 103.7 58.6 -85.5 -21.0 -64.7 -18.8 32.9 1059 377 D I H - 0 0 59 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.603 35.0-108.5 -97.7 165.8 -62.7 -25.1 27.0 1066 384 D L H > S+ 0 0 61 1,-0.2 4,-0.6 -2,-0.2 7,-0.1 0.765 125.9 55.3 -62.0 -25.8 -62.9 -28.3 29.1 1067 385 D E H 4 S+ 0 0 170 2,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.845 106.6 49.4 -72.0 -38.7 -61.6 -29.9 25.8 1068 386 D S H 4 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -2,-0.2 0.870 113.2 45.7 -65.5 -39.9 -58.6 -27.5 25.8 1069 387 D L H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 3,-0.5 0.609 87.6 93.8 -82.3 -14.4 -57.7 -28.1 29.5 1070 388 D K H X S+ 0 0 95 -4,-0.6 4,-3.2 1,-0.2 5,-0.3 0.861 79.4 53.0 -51.6 -51.4 -57.9 -32.0 29.2 1071 389 D P H > S+ 0 0 73 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.907 118.0 39.0 -54.5 -42.3 -54.3 -32.8 28.5 1072 390 D C H > S+ 0 0 1 -3,-0.5 4,-2.5 -4,-0.3 -2,-0.2 0.878 115.7 52.3 -70.9 -40.8 -53.2 -30.8 31.6 1073 391 D L H X S+ 0 0 5 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.821 107.6 52.2 -65.0 -33.2 -56.2 -32.0 33.6 1074 392 D M H X S+ 0 0 79 -4,-3.2 4,-1.2 -5,-0.2 -1,-0.2 0.855 112.4 46.2 -69.8 -36.9 -55.3 -35.7 32.7 1075 393 D D H X S+ 0 0 47 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.904 113.7 47.3 -67.5 -45.3 -51.7 -35.0 33.9 1076 394 D L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.847 105.6 59.2 -70.5 -35.6 -52.8 -33.3 37.1 1077 395 D H H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.918 107.4 47.5 -54.2 -47.1 -55.3 -36.0 37.9 1078 396 D Q H X S+ 0 0 102 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.870 111.1 49.8 -65.0 -41.1 -52.4 -38.5 38.0 1079 397 D T H X S+ 0 0 20 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.890 111.9 49.3 -64.2 -40.8 -50.3 -36.3 40.2 1080 398 D Y H >< S+ 0 0 6 -4,-2.6 3,-0.5 2,-0.2 -2,-0.2 0.932 113.5 45.3 -63.0 -48.2 -53.2 -35.8 42.6 1081 399 D L H 3< S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.816 119.1 42.2 -64.8 -33.5 -53.9 -39.6 42.7 1082 400 D K H >X S+ 0 0 136 -4,-2.0 3,-2.0 1,-0.2 4,-1.1 0.528 84.3 109.1 -90.2 -7.7 -50.2 -40.4 43.2 1083 401 D A T << S+ 0 0 6 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.2 0.743 75.7 47.9 -45.8 -46.2 -49.5 -37.6 45.6 1084 402 D P T 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.746 112.0 51.5 -69.5 -21.3 -49.0 -39.7 48.8 1085 403 D Q T <4 S+ 0 0 145 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.683 86.6 111.0 -83.6 -20.3 -46.6 -42.0 47.0 1086 404 D H S < S- 0 0 52 -4,-1.1 -3,-0.0 -3,-0.4 -7,-0.0 -0.237 74.0-130.2 -58.3 138.9 -44.5 -39.0 45.7 1087 405 D A S S+ 0 0 88 2,-0.0 2,-0.5 1,-0.0 -1,-0.1 0.775 94.8 69.3 -61.7 -29.0 -41.0 -38.7 47.2 1088 406 D Q + 0 0 34 1,-0.1 4,-0.1 -5,-0.1 -2,-0.1 -0.836 54.8 162.7 -95.1 127.0 -41.7 -35.0 48.0 1089 407 D Q > + 0 0 53 -2,-0.5 4,-2.2 2,-0.1 5,-0.2 0.492 40.1 103.1-122.7 -6.8 -44.3 -34.5 50.7 1090 408 D S H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.774 84.4 51.0 -56.4 -33.3 -44.0 -30.9 52.0 1091 409 D I H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 109.5 48.8 -69.8 -49.0 -47.1 -29.6 50.2 1092 410 D R H 4 S+ 0 0 43 1,-0.2 -2,-0.2 -3,-0.2 12,-0.2 0.922 113.4 48.1 -53.8 -47.9 -49.3 -32.5 51.5 1093 411 D E H >< S+ 0 0 110 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.882 111.3 51.1 -60.4 -41.3 -48.1 -31.8 55.0 1094 412 D K H >< S+ 0 0 10 -4,-1.7 3,-1.1 1,-0.2 6,-0.2 0.900 108.6 50.1 -63.8 -45.1 -48.7 -28.0 54.6 1095 413 D Y T 3< S+ 0 0 0 -4,-2.5 9,-2.0 1,-0.2 10,-0.4 0.190 92.8 77.3 -86.1 17.4 -52.3 -28.5 53.3 1096 414 D K T < S+ 0 0 65 -3,-1.1 -1,-0.2 8,-0.2 -2,-0.2 0.590 76.7 97.7 -90.3 -16.9 -53.2 -30.8 56.3 1097 415 D N S X >S- 0 0 105 -3,-1.1 3,-2.4 -4,-0.3 5,-1.3 -0.462 86.2-117.0 -83.4 148.1 -53.5 -27.7 58.6 1098 416 D S T 3 5S+ 0 0 116 1,-0.3 3,-0.3 3,-0.2 -1,-0.1 0.491 109.9 72.7 -64.1 -4.7 -56.8 -26.0 59.5 1099 417 D K T 3 5S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.828 107.8 34.6 -72.1 -35.7 -55.5 -22.8 57.9 1100 418 D Y T X 5S- 0 0 18 -3,-2.4 3,-1.2 -6,-0.2 -2,-0.2 0.082 118.5-112.5-106.0 19.8 -56.0 -24.6 54.5 1101 419 D H T 3 5 - 0 0 98 -3,-0.3 -3,-0.2 1,-0.3 -5,-0.1 0.527 56.0 -81.1 65.5 9.9 -59.1 -26.5 55.8 1102 420 D G T >