==== 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 4EOS . 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, . 1106 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 63.0 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 . 82 7.4 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 . 2 0.2 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 . 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 . 39 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 407 36.8 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 3 1 3 0 4 0 9 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 . 0 4 2 2 0 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 -2 A P 0 0 120 0, 0.0 2,-0.2 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 157.8 -21.4 -7.8 27.3 2 -1 A G - 0 0 28 68,-0.3 2,-0.4 979,-0.0 976,-0.0 -0.629 360.0-122.5-135.7 171.6 -19.2 -8.3 30.3 3 0 A S > - 0 0 41 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.991 19.1-138.8-126.1 131.5 -16.9 -7.2 33.0 4 1 A M T 3 S+ 0 0 50 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.657 100.5 74.8 -61.9 -14.1 -13.4 -8.4 33.6 5 2 A E T 3 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.898 90.3 55.7 -59.9 -42.9 -14.4 -8.3 37.3 6 3 A N S < S+ 0 0 6 -3,-1.3 21,-3.7 20,-0.1 2,-0.3 0.693 98.6 77.7 -65.5 -21.7 -16.4 -11.5 36.8 7 4 A F E -A 26 0A 27 -3,-0.5 2,-0.5 -4,-0.5 19,-0.2 -0.725 60.1-163.5 -98.6 140.8 -13.4 -13.3 35.4 8 5 A Q E -A 25 0A 96 17,-2.4 17,-2.6 -2,-0.3 2,-0.1 -0.987 21.9-128.3-122.4 121.3 -10.5 -14.9 37.4 9 6 A K E +A 24 0A 75 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.419 27.7 173.9 -69.5 139.7 -7.3 -15.8 35.5 10 7 A V E - 0 0 75 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.782 57.2 -25.0-110.0 -53.3 -6.0 -19.3 36.1 11 8 A E E -A 23 0A 106 12,-1.3 12,-3.3 0, 0.0 2,-0.5 -0.990 55.7-104.0-161.8 158.3 -3.0 -19.8 33.7 12 9 A K E -A 22 0A 109 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.812 29.4-176.9 -90.7 125.5 -1.3 -18.7 30.5 13 10 A I E - 0 0 68 8,-2.4 2,-0.3 -2,-0.5 9,-0.2 0.917 45.8 -80.5 -90.2 -52.2 -1.8 -21.3 27.7 14 11 A G E -A 21 0A 19 7,-1.4 7,-2.5 0, 0.0 -1,-0.3 -0.896 41.0 -68.1 164.4 169.0 0.2 -19.8 24.8 15 12 A E E +A 20 0A 117 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.439 43.8 179.4 -74.6 153.8 0.5 -17.4 21.8 16 13 A G - 0 0 34 3,-1.4 3,-0.2 -2,-0.1 -1,-0.1 -0.145 58.6 -48.4-122.6-139.0 -1.6 -17.9 18.7 17 14 A T S S- 0 0 40 1,-0.3 2,-0.3 -2,-0.1 3,-0.1 0.866 128.2 -8.4 -66.5 -39.2 -1.9 -16.0 15.4 18 15 A Y S S+ 0 0 25 1,-0.1 -1,-0.3 30,-0.1 130,-0.1 -0.970 116.6 15.2-156.2 151.1 -2.1 -12.8 17.5 19 16 A G S S- 0 0 25 -2,-0.3 -3,-1.4 -3,-0.2 2,-0.4 0.192 83.8 -76.8 69.4 167.4 -2.4 -12.1 21.2 20 17 A V E -AB 15 37A 15 17,-1.4 17,-2.5 -5,-0.2 2,-0.4 -0.869 38.6-137.0-104.7 137.7 -1.9 -14.4 24.2 21 18 A V E -AB 14 36A 36 -7,-2.5 -8,-2.4 -2,-0.4 -7,-1.4 -0.797 22.9-172.0 -97.6 132.2 -4.5 -17.0 25.2 22 19 A Y E -AB 12 35A 38 13,-3.2 13,-2.6 -2,-0.4 2,-0.4 -0.869 24.1-127.6-119.6 152.0 -5.3 -17.5 28.9 23 20 A K E +AB 11 34A 60 -12,-3.3 -13,-3.0 -2,-0.3 -12,-1.3 -0.860 41.5 167.5 -91.2 134.8 -7.4 -20.0 30.9 24 21 A A E -AB 9 33A 0 9,-2.6 9,-3.3 -2,-0.4 2,-0.4 -0.947 27.9-134.1-145.2 166.3 -9.9 -18.2 33.2 25 22 A R E -AB 8 32A 118 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.5 -0.983 17.6-128.9-128.3 131.1 -13.0 -18.9 35.3 26 23 A N E > -A 7 0A 7 5,-3.1 4,-1.1 -2,-0.4 -19,-0.2 -0.683 18.5-152.9 -74.0 124.9 -16.3 -17.0 35.5 27 24 A K T 4 S+ 0 0 82 -21,-3.7 -1,-0.1 -2,-0.5 -20,-0.1 0.745 86.8 37.6 -75.6 -24.5 -16.9 -16.2 39.2 28 25 A L T 4 S+ 0 0 6 -22,-0.3 -1,-0.1 3,-0.1 908,-0.1 0.860 126.2 30.4 -97.5 -43.4 -20.7 -16.1 39.1 29 26 A T T 4 S- 0 0 0 2,-0.1 901,-2.7 900,-0.1 904,-0.2 0.678 96.4-130.6 -88.1 -22.0 -21.7 -18.8 36.7 30 27 A G < + 0 0 8 -4,-1.1 2,-0.2 1,-0.3 -3,-0.1 0.419 53.6 150.9 85.4 0.1 -18.7 -21.1 37.4 31 28 A E - 0 0 28 897,-0.3 -5,-3.1 -6,-0.1 2,-0.4 -0.448 44.6-132.6 -73.9 133.6 -18.0 -21.5 33.7 32 29 A V E -B 25 0A 58 -7,-0.2 51,-1.4 -2,-0.2 2,-0.3 -0.700 35.3-178.8 -81.5 131.4 -14.4 -22.1 32.6 33 30 A V E -BC 24 82A 2 -9,-3.3 -9,-2.6 -2,-0.4 2,-0.4 -0.815 29.3-125.0-128.6 165.8 -13.4 -19.8 29.7 34 31 A A E -BC 23 81A 12 47,-2.7 47,-3.1 -2,-0.3 2,-0.5 -0.960 24.6-158.0-109.4 132.9 -10.6 -19.0 27.3 35 32 A L E -BC 22 80A 0 -13,-2.6 -13,-3.2 -2,-0.4 2,-0.7 -0.958 5.6-161.8-115.3 127.0 -9.4 -15.3 27.2 36 33 A K E -BC 21 79A 9 43,-2.2 43,-1.4 -2,-0.5 2,-0.4 -0.918 15.7-159.7-108.3 107.9 -7.5 -13.9 24.2 37 34 A K E -BC 20 78A 26 -17,-2.5 -17,-1.4 -2,-0.7 2,-0.4 -0.723 11.6-177.0 -94.2 133.2 -5.8 -10.7 25.2 38 35 A I E - C 0 77A 11 39,-2.0 39,-2.2 -2,-0.4 2,-0.6 -0.992 19.3-142.0-129.0 124.6 -4.6 -8.0 22.7 39 36 A R E + C 0 76A 165 -2,-0.4 37,-0.2 37,-0.2 -20,-0.1 -0.762 20.0 177.1 -86.8 118.2 -2.7 -4.9 23.8 40 37 A L 0 0 18 35,-1.9 4,-0.3 -2,-0.6 36,-0.2 0.830 360.0 360.0 -88.3 -36.3 -3.9 -1.9 21.8 41 38 A D 0 0 170 34,-1.4 -1,-0.1 2,-0.1 35,-0.1 0.107 360.0 360.0 40.6 360.0 -1.7 0.8 23.5 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 42 A E 0 0 120 0, 0.0 356,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 2.4 -2.0 1.7 14.9 44 43 A G - 0 0 16 -4,-0.3 3,-0.1 2,-0.1 373,-0.1 -0.127 360.0 -8.1 75.1-173.0 -5.4 0.8 16.3 45 44 A V S S- 0 0 0 371,-0.2 -5,-0.0 1,-0.1 2,-0.0 -0.350 81.3-115.0 -57.4 125.2 -7.2 -2.5 16.3 46 45 A P >> - 0 0 48 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.366 15.8-123.2 -63.3 144.1 -5.2 -5.0 14.2 47 46 A S H 3> S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.763 111.4 64.3 -59.6 -26.3 -6.9 -6.3 11.1 48 47 A T H 3> S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.922 106.9 40.7 -61.4 -45.5 -6.4 -9.8 12.5 49 48 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.876 114.3 53.3 -70.1 -39.9 -8.7 -9.0 15.4 50 49 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.931 114.6 42.1 -58.3 -46.5 -11.1 -7.1 13.2 51 50 A R H X S+ 0 0 11 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.962 115.8 47.8 -65.2 -52.3 -11.3 -10.1 10.9 52 51 A E H X S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.894 113.7 45.9 -59.7 -45.3 -11.6 -12.8 13.6 53 52 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.964 115.0 44.6 -64.2 -53.1 -14.3 -11.0 15.7 54 53 A S H X S+ 0 0 0 -4,-1.6 4,-0.5 -5,-0.3 -2,-0.2 0.899 119.2 41.7 -61.4 -43.4 -16.6 -10.1 12.8 55 54 A L H >X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 3,-1.0 0.900 112.8 53.0 -70.8 -40.4 -16.4 -13.6 11.1 56 55 A L H 3< S+ 0 0 2 -4,-2.3 11,-0.4 -5,-0.3 -1,-0.2 0.754 101.6 60.3 -70.0 -25.5 -16.6 -15.6 14.4 57 56 A K H 3< S+ 0 0 78 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.701 109.4 44.2 -69.5 -23.2 -19.8 -13.7 15.4 58 57 A E H << S+ 0 0 28 -3,-1.0 2,-1.2 -4,-0.5 -2,-0.2 0.735 97.8 81.4 -89.7 -27.4 -21.4 -15.1 12.2 59 58 A L < + 0 0 3 -4,-1.3 2,-0.7 6,-0.1 8,-0.2 -0.676 49.0 162.5 -92.2 92.4 -20.1 -18.7 12.5 60 59 A N + 0 0 103 -2,-1.2 5,-0.1 6,-0.1 6,-0.1 -0.894 21.3 134.0-110.2 101.9 -22.2 -20.6 15.0 61 60 A H > - 0 0 36 -2,-0.7 3,-1.2 3,-0.4 54,-0.0 -0.957 64.6-116.1-142.3 151.9 -21.6 -24.3 14.4 62 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.738 116.3 46.6 -61.2 -21.6 -20.9 -27.3 16.8 63 62 A N T 3 S+ 0 0 7 48,-0.1 81,-2.5 80,-0.1 2,-0.4 0.199 97.3 78.8-111.7 15.1 -17.4 -27.7 15.3 64 63 A I B < S-e 144 0B 2 -3,-1.2 -3,-0.4 79,-0.3 81,-0.2 -0.983 94.2 -95.5-119.6 136.5 -16.2 -24.0 15.3 65 64 A V - 0 0 5 79,-2.6 2,-0.6 -2,-0.4 -2,-0.1 -0.175 42.2-119.5 -53.5 134.9 -14.9 -22.4 18.5 66 65 A K - 0 0 63 16,-0.1 16,-1.6 -4,-0.1 2,-0.6 -0.689 17.9-154.7 -87.9 115.2 -17.7 -20.5 20.3 67 66 A L E +D 81 0A 26 -2,-0.6 14,-0.2 -11,-0.4 3,-0.1 -0.821 16.8 176.0 -86.6 119.3 -17.1 -16.8 20.8 68 67 A L E - 0 0 69 12,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.872 54.4 -7.9 -92.3 -44.4 -19.1 -15.7 23.8 69 68 A D E -D 80 0A 33 11,-1.1 11,-2.3 2,-0.0 2,-0.4 -0.969 47.5-137.5-155.4 160.0 -18.3 -12.1 24.4 70 69 A V E -D 79 0A 25 -2,-0.3 2,-0.7 9,-0.2 -68,-0.3 -0.990 15.2-159.9-126.5 120.3 -16.1 -9.1 23.4 71 70 A I E -D 78 0A 6 7,-2.1 7,-2.5 -2,-0.4 2,-0.5 -0.903 6.6-173.3-105.1 114.7 -14.7 -6.8 26.2 72 71 A H + 0 0 56 -2,-0.7 5,-0.2 5,-0.2 3,-0.1 -0.431 20.6 158.7-110.3 54.0 -13.7 -3.5 24.7 73 72 A T - 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0 0 32 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.2 -0.959 67.4-140.2-120.8 129.3 -25.9 8.1 16.1 371 247 B S - 0 0 28 -2,-0.4 215,-0.4 -3,-0.1 2,-0.4 -0.666 22.3-170.2 -84.6 142.3 -26.2 11.9 15.6 372 248 B V - 0 0 2 -2,-0.3 -42,-0.4 213,-0.1 -43,-0.3 -0.998 19.5-129.4-138.8 131.7 -23.2 13.7 14.1 373 249 B L >> - 0 0 77 211,-2.4 3,-2.0 -2,-0.4 4,-0.5 -0.480 33.7-110.5 -74.0 152.8 -22.4 17.4 13.6 374 250 B R G >4 S+ 0 0 143 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.796 116.1 58.7 -56.2 -32.9 -21.2 18.5 10.1 375 251 B G G 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.571 109.3 44.3 -73.6 -10.3 -17.6 19.2 11.3 376 252 B K G <> S+ 0 0 51 -3,-2.0 4,-1.6 208,-0.2 -1,-0.2 0.384 86.2 91.8-113.4 -1.3 -17.3 15.6 12.5 377 253 B L H S+ 0 0 52 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.835 105.4 56.6 -66.2 -34.0 -15.4 13.5 7.7 379 255 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 108.2 47.3 -64.7 -39.9 -14.0 11.9 10.9 380 256 B V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.955 112.9 49.5 -61.7 -50.5 -16.7 9.2 10.8 381 257 B G H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.828 111.1 49.7 -59.2 -36.7 -16.0 8.7 7.1 382 258 B T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.966 111.1 46.9 -66.4 -54.2 -12.2 8.4 7.7 383 259 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.855 112.8 50.6 -58.9 -38.8 -12.6 5.8 10.5 384 260 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.895 110.6 48.4 -65.3 -42.2 -15.0 3.8 8.4 385 261 B M H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.828 110.5 52.6 -66.3 -33.2 -12.6 3.8 5.4 386 262 B L H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.872 112.8 44.1 -68.0 -39.6 -9.8 2.8 7.8 387 263 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 111.7 52.2 -71.7 -44.1 -11.9 -0.2 9.0 388 264 B A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.924 111.4 48.0 -56.5 -45.9 -13.1 -1.1 5.5 389 265 B S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 110.2 51.0 -63.6 -42.3 -9.4 -1.2 4.4 390 266 B K H < S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.9 41.2 -62.6 -39.9 -8.3 -3.3 7.4 391 267 B F H < S+ 0 0 7 -4,-2.3 -239,-0.2 -5,-0.1 -2,-0.2 0.911 130.3 23.2 -72.0 -43.4 -11.1 -5.8 6.7 392 268 B E H < S+ 0 0 10 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.816 101.1 81.9-100.6 -34.7 -10.8 -5.9 2.9 393 269 B E < - 0 0 19 -4,-2.3 -42,-0.0 -5,-0.3 -233,-0.0 -0.454 56.6-149.1 -87.1 148.0 -7.3 -4.8 1.7 394 270 B I S S+ 0 0 55 1,-0.3 -1,-0.1 -2,-0.2 -234,-0.0 0.949 102.1 21.4 -72.6 -53.7 -4.1 -6.9 1.5 395 271 B Y S S- 0 0 170 3,-0.0 -1,-0.3 -234,-0.0 -5,-0.1 -0.845 86.9-166.7-113.7 91.1 -1.9 -3.8 2.1 396 272 B P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.434 31.9 -98.3 -72.4 150.8 -4.1 -1.2 3.8 397 273 B P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.480 45.6-110.3 -63.0 139.8 -2.8 2.4 4.1 398 274 B E >> - 0 0 109 -2,-0.1 3,-1.7 1,-0.1 4,-0.9 -0.361 29.5-103.8 -69.6 155.1 -1.3 3.0 7.5 399 275 B V H >> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.832 117.0 63.3 -47.4 -45.0 -3.2 5.3 9.9 400 276 B A H 3> S+ 0 0 54 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.774 100.3 53.6 -55.1 -31.5 -0.8 8.3 9.3 401 277 B E H <> S+ 0 0 66 -3,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.816 105.1 52.9 -74.7 -33.3 -1.9 8.4 5.7 402 278 B F H << S+ 0 0 3 -4,-0.9 4,-0.3 -3,-0.8 -2,-0.2 0.780 108.0 51.4 -69.7 -29.6 -5.6 8.6 6.6 403 279 B V H ><>S+ 0 0 21 -4,-1.6 5,-0.9 1,-0.2 3,-0.5 0.805 107.0 57.2 -70.9 -30.9 -4.6 11.6 8.9 404 280 B Y H ><5S+ 0 0 177 -4,-1.0 3,-0.7 -5,-0.2 4,-0.2 0.914 103.0 49.4 -67.2 -46.8 -2.9 13.1 5.8 405 281 B I T 3<5S+ 0 0 34 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.481 92.7 77.1 -77.5 -2.6 -5.9 13.1 3.5 406 282 B T T X 5S- 0 0 0 -3,-0.5 3,-1.8 -4,-0.3 4,-0.3 0.007 109.5-115.7 -92.1 27.8 -8.1 14.8 6.1 407 283 B D T < 5 - 0 0 150 -3,-0.7 -2,-0.1 1,-0.3 -3,-0.1 0.736 64.0 -69.5 42.8 32.8 -6.4 18.1 5.2 408 284 B D T 3 - 0 0 78 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.378 29.6-106.5 -89.4 173.2 -5.5 14.3 14.9 412 288 B K H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.957 119.3 51.5 -62.4 -52.6 -4.2 10.7 15.0 413 289 B K H > S+ 0 0 148 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 107.2 54.2 -54.6 -41.9 -5.8 9.9 18.4 414 290 B Q H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 108.9 47.8 -59.3 -43.1 -9.2 11.3 17.2 415 291 B V H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.927 113.8 47.5 -63.9 -45.5 -9.1 8.9 14.2 416 292 B L H X S+ 0 0 37 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.766 112.3 49.5 -67.6 -28.8 -8.2 6.0 16.4 417 293 B R H X S+ 0 0 110 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.769 110.3 50.2 -81.4 -27.3 -10.9 6.8 19.0 418 294 B M H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.813 106.0 56.3 -76.6 -32.8 -13.5 7.1 16.2 419 295 B E H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 108.3 49.1 -58.9 -48.1 -12.4 3.7 14.9 420 296 B H H X S+ 0 0 42 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.908 111.2 48.5 -53.8 -49.7 -13.2 2.4 18.4 421 297 B L H X S+ 0 0 9 -4,-1.7 4,-2.7 2,-0.2 3,-0.3 0.928 109.1 51.0 -62.5 -49.6 -16.6 4.0 18.6 422 298 B V H X S+ 0 0 1 -4,-2.5 4,-3.7 1,-0.3 5,-0.3 0.928 109.2 52.3 -53.7 -50.0 -17.8 2.8 15.1 423 299 B L H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 -1,-0.3 0.830 110.9 48.2 -53.0 -38.1 -16.8 -0.7 16.1 424 300 B K H <5S+ 0 0 107 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.915 115.3 43.4 -70.0 -44.0 -18.9 -0.4 19.3 425 301 B V H <5S+ 0 0 37 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.930 119.0 41.8 -69.5 -45.9 -21.9 1.0 17.4 426 302 B L T ><5S- 0 0 7 -4,-3.7 3,-1.9 -5,-0.2 -1,-0.2 0.528 108.1-134.1 -73.0 -5.3 -21.6 -1.6 14.6 427 303 B T T 3 5 - 0 0 69 -5,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.846 61.0 -62.8 46.5 44.6 -20.9 -4.0 17.4 428 304 B F T 3 - 0 0 5 1,-0.1 4,-1.1 42,-0.1 3,-0.2 -0.877 38.5-105.8-135.2 167.8 -22.6 -5.1 -0.9 435 311 B V H >> S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 3,-0.6 0.913 121.8 57.2 -54.3 -44.0 -23.9 -4.2 -4.4 436 312 B N H 3> S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 101.1 54.7 -56.4 -39.0 -20.4 -5.3 -5.6 437 313 B Q H 3> S+ 0 0 20 -3,-0.2 4,-0.5 1,-0.2 -282,-0.3 0.766 112.0 42.7 -73.6 -28.1 -20.7 -8.8 -4.1 438 314 B F H < S+ 0 0 0 -4,-1.6 3,-2.3 -3,-0.3 -2,-0.2 0.862 98.2 65.5 -71.2 -36.5 -24.3 -12.0 -11.7 443 319 B F H >< S+ 0 0 16 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.763 87.4 70.8 -59.0 -26.1 -21.5 -11.6 -14.2 444 320 B L T 3< S+ 0 0 96 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.596 89.8 63.5 -65.7 -10.9 -21.0 -15.4 -14.2 445 321 B H T < S+ 0 0 52 -3,-2.3 -1,-0.3 -4,-0.1 2,-0.2 0.241 72.9 127.5 -99.9 11.3 -24.3 -15.6 -16.1 446 322 B Q < - 0 0 16 -3,-1.6 3,-0.5 1,-0.1 -3,-0.0 -0.477 57.8-135.5 -73.0 139.7 -23.2 -13.7 -19.2 447 323 B Q S S- 0 0 168 1,-0.7 2,-0.1 -2,-0.2 -1,-0.1 -0.700 100.8 -2.3-131.3 80.0 -23.7 -15.5 -22.6 448 324 B P S S- 0 0 113 0, 0.0 -1,-0.7 0, 0.0 -3,-0.1 0.618 102.3-106.6 -96.8 179.5 -21.0 -14.7 -23.4 449 325 B A - 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0 0 5 -6,-0.1 2,-0.2 42,-0.1 -3,-0.1 -0.863 56.3-164.1-120.0 155.0 -27.4 -29.0 34.1 888 207 D T > - 0 0 68 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.713 39.2 -99.7-125.7 175.5 -30.5 -31.0 33.0 889 208 D N H > S+ 0 0 69 -2,-0.2 4,-1.9 1,-0.2 136,-0.2 0.839 121.6 58.3 -62.6 -35.8 -34.2 -30.6 32.6 890 209 D S H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 106.5 46.9 -60.5 -44.7 -34.6 -32.5 36.0 891 210 D M H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 108.7 54.5 -64.3 -44.7 -32.5 -29.8 37.7 892 211 D R H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.869 106.6 53.2 -54.6 -40.2 -34.5 -27.0 36.1 893 212 D A H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 107.8 49.4 -64.0 -40.1 -37.6 -28.6 37.5 894 213 D I H X S+ 0 0 90 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.871 111.4 51.6 -65.9 -37.2 -36.2 -28.6 41.0 895 214 D L H X S+ 0 0 11 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.937 111.3 44.3 -63.7 -50.2 -35.3 -25.0 40.5 896 215 D V H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.910 111.1 54.0 -64.0 -43.8 -38.8 -23.8 39.4 897 216 D D H X S+ 0 0 12 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.823 108.5 50.7 -58.7 -34.4 -40.5 -25.9 42.2 898 217 D W H X S+ 0 0 36 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.882 106.3 53.2 -72.3 -40.4 -38.3 -24.1 44.7 899 218 D L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.810 106.4 55.7 -60.6 -32.0 -39.2 -20.7 43.3 900 219 D V H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.922 105.0 50.3 -64.8 -46.3 -42.8 -21.8 43.8 901 220 D E H X S+ 0 0 109 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.818 111.3 50.7 -58.9 -33.9 -42.1 -22.5 47.5 902 221 D V H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.931 106.9 52.2 -70.7 -48.4 -40.6 -19.0 47.6 903 222 D G H <>S+ 0 0 6 -4,-2.4 5,-2.7 1,-0.2 -2,-0.2 0.875 113.4 44.8 -53.4 -43.4 -43.7 -17.3 46.0 904 223 D E H ><5S+ 0 0 64 -4,-2.0 3,-0.9 3,-0.2 -1,-0.2 0.908 112.0 50.4 -69.2 -44.8 -46.0 -19.0 48.5 905 224 D E H 3<5S+ 0 0 145 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 120.5 35.8 -63.8 -35.4 -43.8 -18.2 51.6 906 225 D Y T 3<5S- 0 0 57 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.212 108.1-122.2-104.9 13.6 -43.6 -14.5 50.6 907 226 D K T < 5 + 0 0 185 -3,-0.9 -3,-0.2 1,-0.2 2,-0.1 0.847 49.9 172.0 49.1 43.9 -47.1 -14.2 49.2 908 227 D L < - 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0 0 39 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.2 -0.882 66.6-138.3-117.4 126.5 -25.0 -18.6 29.4 928 247 D S - 0 0 28 -2,-0.5 2,-0.4 -3,-0.1 -897,-0.3 -0.592 28.9-170.1 -72.1 136.9 -23.4 -21.9 30.5 929 248 D V - 0 0 2 -2,-0.3 -43,-0.4 -899,-0.1 -899,-0.2 -0.993 15.5-126.7-136.0 137.4 -23.8 -22.4 34.3 930 249 D L >> - 0 0 80 -901,-2.7 3,-1.2 -2,-0.4 4,-0.6 -0.285 33.1-100.1 -75.1 165.6 -22.4 -25.0 36.7 931 250 D R G >4 S+ 0 0 154 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.940 118.5 46.2 -42.7 -65.9 -24.3 -27.2 39.1 932 251 D G G 34 S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.407 111.0 54.1 -71.1 2.5 -23.8 -25.2 42.3 933 252 D K G <> S+ 0 0 49 -3,-1.2 4,-1.6 -904,-0.2 -1,-0.3 0.456 79.4 87.1-116.0 -5.1 -24.7 -21.9 40.6 934 253 D L H S+ 0 0 66 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.845 105.1 54.9 -60.6 -35.8 -29.9 -21.7 42.3 936 255 D L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 106.9 49.9 -65.7 -40.3 -28.1 -18.3 42.3 937 256 D V H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.937 113.0 47.7 -60.8 -46.7 -29.4 -17.6 38.8 938 257 D G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.825 109.1 53.4 -62.0 -34.8 -32.9 -18.5 40.0 939 258 D T H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.903 111.2 44.7 -71.2 -40.6 -32.5 -16.3 43.1 940 259 D A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.868 109.9 56.2 -69.8 -38.2 -31.6 -13.2 41.1 941 260 D A H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 109.3 46.0 -58.6 -47.7 -34.3 -13.9 38.6 942 261 D M H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.847 112.0 52.4 -62.7 -36.5 -37.0 -13.9 41.3 943 262 D L H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.878 112.1 45.1 -66.3 -39.4 -35.4 -10.7 42.8 944 263 D L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.862 113.0 49.8 -72.8 -38.3 -35.6 -9.0 39.4 945 264 D A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.884 110.5 50.6 -66.5 -40.8 -39.2 -10.1 38.7 946 265 D S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 109.7 49.8 -62.9 -46.1 -40.3 -8.9 42.2 947 266 D K H < S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 117.7 41.9 -60.7 -34.6 -38.7 -5.5 41.7 948 267 D F H < S+ 0 0 7 -4,-1.4 -239,-0.2 -5,-0.1 -2,-0.2 0.931 129.4 21.9 -77.3 -47.0 -40.5 -5.3 38.3 949 268 D E H < S+ 0 0 13 -4,-3.0 -3,-0.2 -5,-0.1 2,-0.2 0.689 102.7 80.3-104.7 -25.2 -43.9 -6.7 39.2 950 269 D E < - 0 0 19 -4,-2.5 -232,-0.1 -5,-0.3 -233,-0.0 -0.537 61.1-144.0 -90.0 153.6 -44.6 -6.4 43.0 951 270 D I S S+ 0 0 49 1,-0.3 -1,-0.1 -2,-0.2 -234,-0.0 0.918 103.4 20.2 -73.1 -49.5 -45.7 -3.4 45.0 952 271 D Y S S- 0 0 186 3,-0.0 -1,-0.3 -234,-0.0 -5,-0.1 -0.830 82.9-164.7-122.5 89.7 -43.5 -4.4 47.9 953 272 D P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -10,-0.1 -0.489 34.1 -98.4 -70.9 144.7 -40.8 -6.8 46.7 954 273 D P - 0 0 16 0, 0.0 5,-0.1 0, 0.0 -7,-0.1 -0.349 47.0-100.4 -61.0 143.5 -39.0 -8.7 49.6 955 274 D E >> - 0 0 114 1,-0.1 3,-0.8 -3,-0.1 4,-0.8 -0.175 31.4-107.0 -62.4 159.2 -35.7 -7.1 50.6 956 275 D V H >> S+ 0 0 0 -357,-0.3 4,-1.2 1,-0.3 3,-1.1 0.878 118.3 60.0 -57.1 -42.6 -32.4 -8.6 49.3 957 276 D A H 3> S+ 0 0 39 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.830 100.9 55.7 -53.9 -35.8 -31.5 -10.1 52.7 958 277 D E H <> S+ 0 0 73 -3,-0.8 4,-1.1 1,-0.2 -1,-0.3 0.733 104.5 52.3 -73.3 -22.9 -34.7 -12.1 52.5 959 278 D F H << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.697 109.0 50.9 -79.5 -24.1 -33.6 -13.6 49.1 960 279 D V H ><>S+ 0 0 23 -4,-1.2 5,-1.0 -3,-0.2 3,-0.9 0.836 106.6 55.6 -76.5 -36.5 -30.4 -14.6 50.8 961 280 D Y H ><5S+ 0 0 166 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.883 99.4 58.2 -64.1 -42.5 -32.2 -16.3 53.7 962 281 D I T 3<5S+ 0 0 26 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.561 99.3 60.1 -68.8 -9.2 -34.3 -18.6 51.4 963 282 D T T X 5S- 0 0 3 -3,-0.9 3,-0.8 -4,-0.2 -1,-0.3 0.356 112.7-118.2 -97.1 4.0 -31.1 -20.1 50.0 964 283 D D T < 5 - 0 0 140 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.857 65.4 -59.8 60.3 42.0 -30.0 -21.3 53.5 965 284 D D T 3 - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.464 25.7-113.1 -86.7 161.9 -23.9 -14.1 49.9 969 288 D K H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 119.8 54.8 -56.0 -41.4 -25.7 -10.8 49.4 970 289 D K H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 107.0 50.0 -60.5 -44.9 -22.8 -9.6 47.3 971 290 D Q H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.880 110.2 50.1 -62.8 -42.0 -23.1 -12.7 45.0 972 291 D V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.945 113.1 45.1 -61.6 -50.5 -26.8 -12.2 44.5 973 292 D L H X S+ 0 0 6 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.864 113.1 50.0 -64.7 -38.9 -26.4 -8.5 43.6 974 293 D R H X S+ 0 0 51 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.913 112.7 48.0 -63.4 -42.5 -23.5 -9.3 41.2 975 294 D M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.857 106.3 58.2 -63.6 -38.1 -25.7 -12.0 39.7 976 295 D E H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.898 107.3 47.5 -56.7 -42.9 -28.6 -9.5 39.4 977 296 D H H X S+ 0 0 26 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.881 109.9 52.7 -67.8 -39.8 -26.3 -7.2 37.3 978 297 D L H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.928 107.6 50.7 -61.0 -47.6 -25.2 -10.1 35.1 979 298 D V H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 6,-0.2 0.886 109.5 50.9 -59.9 -41.2 -28.8 -11.2 34.3 980 299 D L H <>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 -1,-0.2 0.860 111.8 48.1 -63.9 -37.7 -29.7 -7.6 33.4 981 300 D K H ><5S+ 0 0 29 -4,-1.7 3,-0.6 3,-0.2 -2,-0.2 0.869 114.8 44.5 -69.2 -40.4 -26.7 -7.4 31.0 982 301 D V H 3<5S+ 0 0 36 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.936 117.0 43.9 -71.4 -47.0 -27.5 -10.8 29.4 983 302 D L T ><5S- 0 0 5 -4,-2.9 3,-3.1 -5,-0.2 -1,-0.2 0.319 107.4-132.0 -77.7 9.1 -31.2 -10.0 29.1 984 303 D T T < 5 - 0 0 68 -3,-0.6 -3,-0.2 1,-0.3 -4,-0.1 0.780 61.7 -65.5 38.4 38.7 -30.1 -6.6 27.8 985 304 D F T 3 - 0 0 6 -2,-0.1 4,-1.2 1,-0.1 3,-0.3 -0.838 39.1-107.8-128.6 164.8 -46.5 -14.8 30.2 992 311 D V H > S+ 0 0 8 -2,-0.3 4,-2.7 1,-0.2 3,-0.5 0.899 120.7 59.0 -52.6 -44.1 -49.1 -17.5 30.4 993 312 D N H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 101.5 52.6 -53.6 -43.8 -50.6 -15.5 33.3 994 313 D Q H > S+ 0 0 22 -3,-0.3 4,-0.7 1,-0.2 -282,-0.3 0.801 113.5 43.5 -67.4 -31.0 -51.1 -12.4 31.1 995 314 D F H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.5 -2,-0.2 0.849 110.7 55.0 -82.0 -36.7 -53.0 -14.4 28.5 996 315 D L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 3,-0.4 0.947 105.4 50.7 -60.1 -51.3 -55.1 -16.3 31.0 997 316 D T H X S+ 0 0 32 -4,-2.1 4,-0.5 1,-0.3 -1,-0.2 0.823 109.9 52.5 -58.5 -34.1 -56.4 -13.2 32.8 998 317 D Q H >< S+ 0 0 4 -4,-0.7 3,-0.5 -5,-0.2 -1,-0.3 0.867 110.1 48.0 -64.5 -40.1 -57.4 -11.9 29.3 999 318 D Y H >< S+ 0 0 0 -4,-1.6 3,-2.0 -3,-0.4 -2,-0.2 0.818 98.6 67.4 -72.9 -33.3 -59.3 -15.2 28.6 1000 319 D F H >< S+ 0 0 13 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.747 87.4 70.2 -58.4 -25.7 -61.2 -15.2 31.9 1001 320 D L T << S+ 0 0 94 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.557 85.0 68.4 -71.8 -8.5 -63.1 -12.1 30.8 1002 321 D H T < S+ 0 0 63 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.403 79.2 106.0 -90.0 2.1 -64.9 -14.3 28.2 1003 322 D Q < - 0 0 28 -3,-1.5 3,-0.2 -4,-0.1 -3,-0.0 -0.613 67.7-135.0 -82.5 140.6 -66.8 -16.1 31.0 1004 323 D Q S S+ 0 0 183 1,-0.4 2,-0.1 -2,-0.3 -3,-0.0 -0.869 93.0 5.1-136.7 100.3 -70.4 -15.4 31.7 1005 324 D P S S- 0 0 100 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.644 102.6 -97.0 -92.4-166.8 -70.4 -15.2 34.6 1006 325 D A - 0 0 72 -3,-0.2 2,-0.6 -2,-0.1 -5,-0.1 -0.484 33.7-164.8 -65.8 123.8 -67.1 -15.3 36.4 1007 326 D N > - 0 0 44 -2,-0.3 4,-1.9 -7,-0.2 3,-0.3 -0.931 6.4-169.8-114.1 107.0 -66.3 -18.8 37.7 1008 327 D C H > S+ 0 0 63 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.709 85.4 59.0 -71.1 -23.3 -63.5 -18.7 40.3 1009 328 D K H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 109.0 44.8 -70.4 -38.7 -63.1 -22.5 40.4 1010 329 D V H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.879 111.8 53.1 -70.8 -40.1 -62.4 -22.5 36.7 1011 330 D E H X S+ 0 0 56 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.886 110.6 46.6 -61.5 -42.0 -60.0 -19.5 37.0 1012 331 D S H X S+ 0 0 12 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.854 110.1 52.4 -71.5 -36.9 -57.9 -21.2 39.7 1013 332 D L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.875 107.5 52.5 -67.0 -38.1 -57.7 -24.6 37.9 1014 333 D A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.908 110.0 48.2 -63.3 -44.0 -56.4 -22.8 34.7 1015 334 D M H X S+ 0 0 33 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.865 111.0 51.5 -62.9 -39.9 -53.6 -21.1 36.8 1016 335 D F H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.910 113.5 44.2 -61.3 -45.0 -52.8 -24.4 38.4 1017 336 D L H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.853 112.9 50.7 -69.0 -37.9 -52.5 -26.1 35.0 1018 337 D G H < S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.726 108.8 53.2 -72.2 -23.4 -50.5 -23.2 33.5 1019 338 D E H >X S+ 0 0 0 -4,-1.3 3,-1.0 1,-0.2 4,-0.6 0.828 100.8 59.2 -80.8 -34.9 -48.1 -23.3 36.4 1020 339 D L H >X S+ 0 0 18 -4,-1.4 4,-0.8 1,-0.2 3,-0.6 0.775 97.7 61.8 -61.9 -28.6 -47.4 -27.1 36.0 1021 340 D S H 3< S+ 0 0 6 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.702 94.4 62.4 -72.6 -20.8 -46.2 -26.2 32.4 1022 341 D L H <4 S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.783 96.5 60.4 -71.6 -29.0 -43.4 -24.1 33.9 1023 342 D I H << S+ 0 0 7 -4,-0.6 2,-0.7 -3,-0.6 -127,-0.2 0.924 100.4 55.7 -64.5 -46.9 -41.9 -27.1 35.7 1024 343 D D X - 0 0 34 -4,-0.8 4,-0.8 1,-0.2 -1,-0.2 -0.810 52.0-175.2-105.8 109.0 -41.2 -29.2 32.6 1025 344 D A H > + 0 0 7 -2,-0.7 4,-2.3 -136,-0.2 5,-0.3 0.892 66.4 95.0 -60.7 -43.7 -39.0 -27.8 29.8 1026 345 D D H 4 S- 0 0 124 1,-0.2 -1,-0.1 2,-0.2 -147,-0.0 -0.877 108.1 -12.2 -89.0 116.7 -39.8 -30.9 27.8 1027 346 D P H >4 S+ 0 0 23 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.995 124.4 70.9-105.9 -1.4 -42.1 -30.3 26.1 1028 347 D Y H >< S+ 0 0 7 -4,-0.8 3,-1.2 1,-0.3 -2,-0.2 0.612 85.0 74.5 -58.9 -17.5 -43.6 -27.0 27.2 1029 348 D L T 3< S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.713 91.6 56.7 -64.1 -23.6 -40.7 -24.9 25.9 1030 349 D K T < S+ 0 0 115 -3,-2.5 2,-0.4 -5,-0.3 -1,-0.2 0.573 96.1 81.3 -83.8 -9.4 -41.9 -25.4 22.3 1031 350 D Y S < S- 0 0 39 -3,-1.2 0, 0.0 -4,-0.3 0, 0.0 -0.808 80.5-123.3-103.6 137.6 -45.3 -24.0 23.1 1032 351 D L > - 0 0 36 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.365 24.9-113.6 -73.3 153.5 -46.1 -20.2 23.2 1033 352 D P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.871 118.4 52.5 -52.8 -39.9 -47.5 -18.6 26.3 1034 353 D S H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.863 110.7 46.8 -64.5 -39.6 -50.8 -17.9 24.4 1035 354 D V H > S+ 0 0 21 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.919 112.2 49.0 -69.8 -46.9 -51.1 -21.5 23.3 1036 355 D I H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 111.9 50.5 -55.7 -47.3 -50.4 -22.9 26.8 1037 356 D A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.822 109.7 50.5 -61.5 -35.6 -53.0 -20.5 28.2 1038 357 D G H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.874 113.7 44.7 -66.9 -40.2 -55.5 -21.7 25.5 1039 358 D A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.786 114.5 49.5 -74.8 -29.0 -54.8 -25.3 26.5 1040 359 D A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.886 110.5 49.0 -75.1 -41.4 -55.0 -24.4 30.2 1041 360 D F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.883 112.2 48.5 -66.2 -40.9 -58.3 -22.5 30.0 1042 361 D H H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.921 112.3 47.1 -66.3 -46.9 -60.0 -25.3 28.0 1043 362 D L H X S+ 0 0 13 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.842 113.8 49.2 -64.0 -35.9 -58.9 -28.1 30.3 1044 363 D A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 5,-0.2 0.911 114.8 44.2 -67.8 -43.8 -60.0 -26.0 33.4 1045 364 D L H X>S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 5,-1.8 0.904 112.8 49.7 -69.5 -45.7 -63.4 -25.3 31.8 1046 365 D Y H <5S+ 0 0 86 -4,-2.8 -1,-0.2 4,-0.2 -2,-0.2 0.851 111.7 50.1 -62.4 -37.8 -64.1 -28.8 30.6 1047 366 D T H <5S+ 0 0 32 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.905 119.0 33.5 -68.5 -44.9 -63.3 -30.3 34.0 1048 367 D V H <5S+ 0 0 54 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.1 0.933 139.2 5.1 -82.2 -49.8 -65.4 -28.1 36.1 1049 368 D T T <5S- 0 0 74 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.817 89.2-117.4-107.2 -43.9 -68.5 -27.3 34.0 1050 369 D G < + 0 0 45 -5,-1.8 -4,-0.2 1,-0.3 2,-0.2 0.418 66.2 134.7 111.5 4.8 -68.3 -29.3 30.8 1051 370 D Q - 0 0 130 -6,-0.7 -1,-0.3 1,-0.1 2,-0.2 -0.491 45.8-129.6 -86.3 156.3 -68.1 -26.4 28.4 1052 371 D S - 0 0 70 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.486 44.5 -60.5-101.4 169.6 -65.6 -26.1 25.4 1053 372 D W S S- 0 0 13 -2,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.340 74.0-111.1 -49.9 111.7 -63.2 -23.4 24.2 1054 373 D P > - 0 0 32 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.024 7.3-124.5 -61.1 155.5 -65.6 -20.4 23.5 1055 374 D E H >> S+ 0 0 151 1,-0.2 4,-1.4 2,-0.2 3,-1.3 0.903 109.5 55.2 -61.9 -47.1 -66.6 -19.0 20.2 1056 375 D S H 3> S+ 0 0 55 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.773 104.4 55.4 -60.8 -29.2 -65.5 -15.4 21.1 1057 376 D L H 3> S+ 0 0 0 -3,-0.2 4,-1.6 2,-0.2 6,-0.4 0.644 102.1 56.3 -79.2 -17.1 -62.0 -16.7 21.9 1058 377 D I H > - 0 0 63 -2,-0.4 4,-2.0 -3,-0.1 3,-0.8 -0.620 33.6-108.8 -91.4 160.8 -59.0 -23.5 16.8 1065 384 D L T 34 S+ 0 0 71 1,-0.3 4,-0.1 -2,-0.2 7,-0.1 0.602 124.9 57.0 -62.9 -10.8 -59.4 -26.4 19.2 1066 385 D E T 34 S+ 0 0 160 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.744 104.5 48.9 -88.6 -31.4 -57.5 -28.3 16.5 1067 386 D S T <4 S+ 0 0 73 -3,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.809 112.1 48.9 -74.4 -33.4 -54.5 -25.9 16.7 1068 387 D L S X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-0.2 0.615 89.1 94.4 -78.7 -14.2 -54.5 -26.2 20.5 1069 388 D K H > S+ 0 0 124 -5,-0.2 4,-2.7 1,-0.2 5,-0.3 0.880 77.2 51.5 -47.7 -59.8 -54.6 -30.0 20.2 1070 389 D P H > S+ 0 0 66 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.899 119.9 36.9 -49.1 -48.7 -50.8 -30.9 20.3 1071 390 D C H > S+ 0 0 1 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.879 114.0 56.9 -67.9 -42.2 -50.4 -28.8 23.5 1072 391 D L H X S+ 0 0 31 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.818 105.5 52.3 -58.3 -35.5 -53.8 -29.8 24.9 1073 392 D M H X S+ 0 0 97 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.870 111.5 45.4 -70.2 -39.9 -52.8 -33.5 24.6 1074 393 D D H X S+ 0 0 53 -4,-1.2 4,-1.8 -5,-0.3 3,-0.4 0.940 111.0 51.0 -68.2 -49.4 -49.5 -33.0 26.6 1075 394 D L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.808 106.3 56.9 -61.6 -32.4 -51.1 -30.9 29.4 1076 395 D H H X S+ 0 0 27 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.3 0.906 108.0 47.2 -61.3 -43.7 -53.8 -33.6 29.8 1077 396 D Q H X S+ 0 0 96 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.805 111.3 51.3 -69.5 -32.2 -51.0 -36.1 30.4 1078 397 D T H < S+ 0 0 22 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.873 110.3 48.5 -71.5 -40.8 -49.2 -33.8 32.9 1079 398 D Y H < S+ 0 0 8 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.865 114.7 46.4 -65.8 -38.7 -52.5 -33.2 34.8 1080 399 D L H < S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 119.0 39.5 -68.7 -44.2 -53.1 -37.0 34.9 1081 400 D K S >X S+ 0 0 137 -4,-2.3 3,-1.2 1,-0.2 4,-0.6 0.345 88.4 107.8 -87.1 6.2 -49.5 -37.8 35.9 1082 401 D A G >4 S+ 0 0 5 -3,-0.4 3,-1.1 -4,-0.3 -1,-0.2 0.857 73.1 49.9 -57.2 -47.2 -49.3 -34.8 38.3 1083 402 D P G 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.641 111.4 50.7 -71.5 -11.1 -49.4 -36.6 41.7 1084 403 D Q G <4 S+ 0 0 147 -3,-1.2 -2,-0.2 -4,-0.1 2,-0.1 0.467 85.5 113.0 -98.9 -6.3 -46.6 -39.0 40.6 1085 404 D H S << S- 0 0 55 -3,-1.1 -3,-0.0 -4,-0.6 -7,-0.0 -0.398 75.5-126.0 -65.9 142.1 -44.4 -36.1 39.5 1086 405 D A S S+ 0 0 87 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.803 95.8 68.9 -60.5 -32.5 -41.2 -35.6 41.6 1087 406 D Q + 0 0 39 1,-0.1 -2,-0.1 -5,-0.1 4,-0.1 -0.775 53.3 162.9 -93.7 135.3 -42.1 -32.0 42.1 1088 407 D Q > + 0 0 56 -2,-0.4 4,-2.3 2,-0.1 5,-0.2 0.385 42.1 101.0-133.9 -1.8 -45.1 -31.3 44.4 1089 408 D S H > S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.824 84.9 51.2 -64.4 -35.2 -45.1 -27.7 45.5 1090 409 D I H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 110.4 50.0 -68.1 -39.8 -47.7 -26.5 43.0 1091 410 D R H 4 S+ 0 0 51 1,-0.2 -2,-0.2 2,-0.2 12,-0.2 0.943 112.5 46.2 -60.7 -48.9 -50.1 -29.3 44.0 1092 411 D E H < S+ 0 0 107 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.678 111.7 54.6 -68.4 -18.6 -49.6 -28.4 47.7 1093 412 D K H >< S+ 0 0 7 -4,-0.9 3,-0.9 -5,-0.2 6,-0.3 0.894 108.0 46.0 -77.9 -45.6 -50.1 -24.7 46.8 1094 413 D Y T 3< S+ 0 0 0 -4,-2.2 9,-1.6 1,-0.2 10,-0.3 0.251 95.3 77.8 -86.7 12.3 -53.4 -25.2 45.0 1095 414 D K T 3 S+ 0 0 69 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.745 75.8 100.6 -81.5 -28.9 -54.8 -27.3 47.9 1096 415 D N S X >S- 0 0 76 -3,-0.9 5,-1.8 -4,-0.3 3,-1.1 -0.126 86.3-116.1 -63.4 153.2 -55.4 -24.2 50.0 1097 416 D S T 3 5S+ 0 0 122 1,-0.2 3,-0.3 3,-0.2 -1,-0.1 0.468 110.5 69.9 -67.2 -3.3 -58.8 -22.6 50.4 1098 417 D K T 3 5S+ 0 0 173 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.840 104.8 37.5 -81.4 -37.2 -57.4 -19.5 48.6 1099 418 D Y T X 5S- 0 0 36 -3,-1.1 3,-1.1 -6,-0.3 -1,-0.2 0.034 119.4-107.7-102.9 23.9 -57.2 -21.2 45.3 1100 419 D H T 3 5 - 0 0 93 -3,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.639 54.3 -84.7 62.1 20.0 -60.5 -23.2 45.9 1101 420 D G T >