==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 25-AUG-95 1CKJ . COMPND 2 MOLECULE: RECOMBINANT CASEIN KINASE I DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.L.LONGENECKER,P.J.ROACH,T.D.HURLEY . 589 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 2 0 1 0 1 1 3 0 0 3 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 2 0 1 3 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 2 0 0 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 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 1 A M 0 0 239 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.6 63.0 -20.8 77.7 2 2 A E - 0 0 112 1,-0.0 2,-0.6 2,-0.0 8,-0.0 -0.500 360.0-124.2 -83.2 151.3 59.8 -19.1 78.5 3 3 A L + 0 0 109 8,-0.2 8,-2.1 -2,-0.2 2,-0.5 -0.862 31.1 176.9-101.2 119.4 59.7 -15.8 80.4 4 4 A R E -A 10 0A 105 -2,-0.6 6,-0.2 6,-0.2 2,-0.2 -0.934 16.0-152.3-131.9 112.1 57.5 -15.7 83.6 5 8 A V E > S-A 9 0A 3 4,-2.0 4,-1.6 -2,-0.5 2,-1.5 -0.544 79.1 -5.1 -78.6 143.3 57.2 -12.8 85.9 6 9 A G T 4 S- 0 0 21 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.0 -0.667 112.7 -83.2 76.1 -94.8 56.3 -13.5 89.6 7 10 A N T 4 S+ 0 0 124 -2,-1.5 -1,-0.2 3,-0.0 22,-0.1 0.067 125.6 45.4-167.2 -51.6 55.8 -17.2 89.0 8 11 A R T 4 S+ 0 0 65 1,-0.1 21,-2.8 21,-0.1 2,-1.0 0.631 92.3 87.2 -81.5 -19.4 52.2 -17.5 87.8 9 12 A Y E < -AB 5 28A 16 -4,-1.6 -4,-2.0 19,-0.3 2,-0.4 -0.708 61.9-158.0 -95.9 96.6 52.3 -14.6 85.2 10 13 A R E -AB 4 27A 86 17,-3.0 17,-2.0 -2,-1.0 -6,-0.2 -0.538 22.6-132.0 -69.6 118.3 53.6 -15.7 81.8 11 14 A L E + B 0 26A 40 -8,-2.1 -8,-0.2 -2,-0.4 15,-0.2 -0.363 35.6 165.3 -70.9 155.1 54.8 -12.6 80.0 12 15 A G E - 0 0 35 13,-1.1 14,-0.1 1,-0.3 -1,-0.1 -0.543 34.0 -16.9-145.3-151.9 53.7 -11.8 76.5 13 16 A R E - 0 0 201 -2,-0.2 12,-3.2 11,-0.1 2,-1.1 -0.187 62.3-109.2 -61.9 151.2 53.4 -9.3 73.7 14 17 A K E + B 0 24A 109 10,-0.2 10,-0.2 1,-0.2 -1,-0.1 -0.771 39.6 177.9 -85.2 102.3 53.7 -5.6 74.3 15 18 A I E - 0 0 77 -2,-1.1 2,-0.3 8,-0.7 9,-0.2 0.572 54.2 -48.2 -83.6 -11.9 50.1 -4.6 73.7 16 19 A G E - B 0 23A 29 7,-1.7 7,-3.3 -3,-0.1 2,-0.3 -0.992 52.3 -95.2 168.3-171.6 50.6 -0.9 74.5 17 20 A S E + B 0 22A 85 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.978 25.7 177.9-140.8 148.5 52.0 1.9 76.7 18 21 A G E > - B 0 21A 23 3,-3.1 3,-0.8 -2,-0.3 5,-0.0 -0.470 50.8 -68.2-126.8-157.0 50.7 4.1 79.5 19 22 A S T 3 S+ 0 0 48 1,-0.2 3,-0.1 -2,-0.2 130,-0.0 0.963 126.1 40.8 -66.5 -57.3 52.0 6.8 81.8 20 23 A F T 3 S- 0 0 20 1,-0.1 2,-0.4 28,-0.1 -1,-0.2 0.058 127.0 -74.3 -83.6 25.3 54.4 4.8 84.0 21 24 A G E < S-B 18 0A 22 -3,-0.8 -3,-3.1 19,-0.1 2,-0.2 -0.921 79.0 -10.4 128.5-151.2 55.8 2.7 81.1 22 25 A D E -BC 17 39A 57 17,-0.8 17,-1.4 -2,-0.4 2,-0.5 -0.590 45.1-141.0 -97.9 156.0 54.7 -0.1 78.9 23 26 A I E -BC 16 38A 28 -7,-3.3 -7,-1.7 -2,-0.2 -8,-0.7 -0.973 21.1-169.3-118.4 120.4 51.8 -2.5 79.2 24 27 A Y E -BC 14 37A 40 13,-3.1 13,-2.7 -2,-0.5 2,-0.3 -0.840 24.5-118.0-110.6 151.0 52.4 -6.1 78.3 25 28 A L E + C 0 36A 47 -12,-3.2 -13,-1.1 -2,-0.3 2,-0.3 -0.687 43.4 173.5 -85.0 137.3 49.9 -8.9 77.8 26 29 A G E -BC 11 35A 1 9,-2.4 9,-2.6 -2,-0.3 2,-0.4 -0.882 25.1-135.5-140.0 172.0 50.4 -11.7 80.3 27 30 A T E -BC 10 34A 26 -17,-2.0 -17,-3.0 -2,-0.3 2,-1.5 -0.998 12.8-139.1-136.3 129.5 48.8 -14.9 81.4 28 31 A D E >>> -BC 9 33A 17 5,-3.2 4,-2.2 -2,-0.4 3,-2.0 -0.731 24.6-173.8 -83.6 89.6 48.1 -16.1 85.0 29 32 A I T 345S+ 0 0 76 -21,-2.8 -1,-0.2 -2,-1.5 -20,-0.1 0.854 79.9 59.8 -55.3 -36.8 49.1 -19.7 84.2 30 33 A A T 345S+ 0 0 84 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.343 124.8 21.2 -75.1 7.8 48.0 -20.9 87.7 31 34 A A T <45S- 0 0 68 -3,-2.0 -2,-0.2 -23,-0.2 -1,-0.2 0.351 98.8-125.6-149.3 -9.7 44.5 -19.7 86.8 32 35 A G T <5 + 0 0 62 -4,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.840 60.9 143.0 59.9 34.8 44.5 -19.6 83.0 33 36 A E E < -C 28 0A 61 -5,-1.3 -5,-3.2 50,-0.0 2,-0.4 -0.921 51.2-133.6-110.7 126.6 43.4 -15.9 83.0 34 37 A E E +C 27 0A 127 -2,-0.5 50,-0.6 -7,-0.2 -7,-0.3 -0.659 40.2 172.1 -75.4 128.9 44.8 -13.5 80.4 35 38 A V E -CD 26 83A 0 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.5 -0.706 34.2-110.5-129.3-178.6 45.8 -10.4 82.3 36 39 A A E -CD 25 82A 5 46,-2.7 46,-2.8 -2,-0.2 2,-0.4 -0.987 26.2-165.0-121.5 122.6 47.6 -7.1 81.8 37 40 A I E -CD 24 81A 0 -13,-2.7 -13,-3.1 -2,-0.5 2,-0.5 -0.913 0.9-167.1-108.1 133.7 51.0 -6.6 83.4 38 41 A K E -CD 23 80A 3 42,-2.9 42,-2.7 -2,-0.4 2,-0.4 -0.994 9.1-171.7-120.8 126.8 52.5 -3.1 83.6 39 42 A L E -CD 22 79A 10 -17,-1.4 -17,-0.8 -2,-0.5 2,-0.4 -0.973 10.0-164.3-131.1 125.2 56.2 -2.8 84.5 40 43 A E E - D 0 78A 14 38,-1.3 38,-1.4 -2,-0.4 2,-0.7 -0.827 39.6-100.1-102.8 137.0 58.3 0.3 85.3 41 44 A C E - D 0 77A 68 -2,-0.4 36,-0.3 36,-0.2 3,-0.1 -0.462 40.4-123.3 -59.8 102.9 62.1 0.2 85.2 42 45 A V S S+ 0 0 50 34,-2.3 2,-0.8 -2,-0.7 3,-0.2 0.650 99.2 23.7 -12.8 -72.2 62.9 -0.1 89.0 43 46 A K S S+ 0 0 151 1,-0.2 -1,-0.2 33,-0.1 -2,-0.0 -0.822 72.2 136.9-113.4 93.9 65.0 2.9 89.2 44 47 A T S S- 0 0 65 -2,-0.8 -1,-0.2 -3,-0.1 -2,-0.1 0.842 78.6 -89.2 -89.0 -75.3 64.2 5.4 86.4 45 48 A K S S+ 0 0 144 -3,-0.2 -3,-0.0 0, 0.0 -2,-0.0 0.105 116.0 35.5-168.9 -42.7 64.2 8.7 88.3 46 49 A H S S- 0 0 117 0, 0.0 2,-2.4 0, 0.0 3,-0.1 -0.786 72.1-160.2-128.1 82.9 60.6 9.0 89.6 47 50 A P > + 0 0 32 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.388 27.1 159.9 -65.8 77.0 59.3 5.5 90.4 48 51 A Q T >> + 0 0 64 -2,-2.4 4,-1.7 1,-0.2 3,-1.2 0.594 46.7 86.3 -79.1 -12.1 55.6 6.4 90.3 49 52 A L H 3> S+ 0 0 6 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.803 82.1 58.1 -62.8 -32.3 54.1 3.0 89.8 50 53 A H H <> S+ 0 0 107 -3,-0.6 4,-0.9 1,-0.2 -1,-0.3 0.753 108.3 51.3 -69.0 -19.6 53.9 2.1 93.5 51 54 A I H <> S+ 0 0 56 -3,-1.2 4,-1.8 -4,-0.2 3,-0.2 0.918 104.7 52.6 -80.5 -47.8 51.8 5.2 93.8 52 55 A E H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.928 106.7 54.4 -54.5 -46.3 49.3 4.3 91.0 53 56 A S H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.891 103.9 56.0 -54.4 -42.0 48.7 0.9 92.6 54 57 A K H X S+ 0 0 119 -4,-0.9 4,-1.2 -3,-0.2 -1,-0.2 0.932 109.4 45.7 -55.8 -48.8 47.8 2.7 95.8 55 58 A I H >X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 3,-0.7 0.923 109.7 53.0 -61.6 -48.7 45.1 4.7 94.0 56 59 A Y H 3X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.877 110.6 49.5 -54.4 -40.0 43.7 1.7 92.1 57 60 A K H 3< S+ 0 0 102 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.731 108.2 52.0 -72.5 -25.1 43.4 -0.0 95.5 58 61 A M H << S+ 0 0 64 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.836 115.6 42.2 -76.1 -34.8 41.6 3.0 97.0 59 62 A M H >< S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.1 -2,-0.2 0.552 86.3 127.5 -84.7 -15.5 39.2 2.9 94.0 60 63 A Q T 3< + 0 0 133 -4,-0.8 3,-0.1 1,-0.3 7,-0.1 -0.189 68.6 31.6 -47.2 132.9 38.9 -0.9 94.2 61 64 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 4,-0.3 3,-0.1 -0.055 89.8 122.4 107.1 -31.3 35.2 -1.9 94.4 62 65 A G S X S- 0 0 15 -3,-2.4 3,-1.1 1,-0.1 -1,-0.4 -0.158 73.7 -94.1 -62.7 158.1 33.9 1.1 92.3 63 66 A V T 3 S+ 0 0 93 1,-0.2 -1,-0.1 -3,-0.1 55,-0.1 -0.571 108.1 10.4 -73.8 133.9 31.9 0.5 89.2 64 67 A G T 3 S+ 0 0 5 -2,-0.3 83,-2.5 1,-0.2 -1,-0.2 0.694 93.6 126.1 71.9 20.8 34.1 0.6 86.0 65 68 A I < - 0 0 9 -3,-1.1 -4,-0.3 81,-0.2 -1,-0.2 -0.954 65.1-113.9-111.6 122.9 37.4 0.5 87.9 66 69 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.294 29.2-120.4 -58.8 138.9 39.9 -2.3 86.8 67 70 A T - 0 0 67 -7,-0.1 16,-2.6 -6,-0.1 2,-0.5 -0.577 21.5-129.2 -80.0 140.9 40.6 -4.9 89.4 68 71 A I E -E 82 0A 37 -2,-0.2 14,-0.3 14,-0.2 3,-0.1 -0.821 20.1-173.9 -95.1 130.0 44.2 -5.3 90.5 69 72 A R E - 0 0 91 12,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.871 64.5 -20.4 -86.4 -45.8 45.6 -8.9 90.5 70 73 A W E -E 81 0A 73 11,-1.6 11,-3.7 2,-0.0 2,-0.3 -0.981 48.0-159.4-165.1 152.8 49.1 -8.4 92.0 71 74 A C E +E 80 0A 48 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 41.9 97.9-135.8 143.7 51.7 -5.7 92.7 72 75 A G E -E 79 0A 30 7,-1.4 7,-0.8 -2,-0.3 2,-0.3 -0.984 58.5 -69.9 171.8-157.6 55.3 -6.4 93.4 73 76 A A E +E 78 0A 63 5,-0.3 5,-0.3 -2,-0.3 2,-0.3 -0.966 23.0 176.4-135.7 150.9 58.9 -6.7 92.1 74 77 A E E > -E 77 0A 71 3,-3.5 3,-1.1 -2,-0.3 2,-0.1 -0.799 64.6 -61.8-153.8 96.4 60.8 -8.9 89.7 75 78 A G T 3 S- 0 0 62 1,-0.3 -1,-0.2 -2,-0.3 -33,-0.0 -0.324 122.3 -0.9 64.3-131.2 64.4 -7.9 89.1 76 79 A D T 3 S+ 0 0 123 -3,-0.1 -34,-2.3 -2,-0.1 2,-0.3 0.229 127.8 74.2 -76.6 17.0 64.9 -4.4 87.5 77 80 A Y E < -DE 41 74A 91 -3,-1.1 -3,-3.5 -36,-0.3 2,-0.6 -0.971 62.2-154.7-137.8 144.9 61.1 -4.2 87.4 78 81 A N E -DE 40 73A 52 -38,-1.4 -38,-1.3 -2,-0.3 2,-0.4 -0.987 32.9-152.6-111.5 115.9 58.2 -3.5 89.8 79 82 A V E -DE 39 72A 0 -7,-0.8 -7,-1.4 -2,-0.6 2,-0.5 -0.784 18.0-165.5-105.2 138.8 55.1 -5.2 88.2 80 83 A M E -DE 38 71A 0 -42,-2.7 -42,-2.9 -2,-0.4 2,-0.5 -0.967 11.1-160.7-114.1 128.1 51.4 -4.4 88.6 81 84 A V E +DE 37 70A 0 -11,-3.7 -12,-2.8 -2,-0.5 -11,-1.6 -0.951 19.6 167.3-110.4 127.0 49.1 -7.0 87.3 82 85 A M E -DE 36 68A 16 -46,-2.8 -46,-2.7 -2,-0.5 -14,-0.2 -0.897 42.8 -71.1-138.5 166.1 45.5 -6.0 86.5 83 86 A E E -D 35 0A 45 -16,-2.6 2,-0.4 -2,-0.3 -48,-0.2 -0.336 47.1-126.9 -56.0 125.7 42.4 -7.2 84.8 84 87 A L - 0 0 38 -50,-0.6 2,-0.1 -2,-0.1 54,-0.1 -0.674 35.9-171.4 -77.3 129.8 42.7 -7.3 81.0 85 88 A L - 0 0 19 -2,-0.4 52,-0.2 1,-0.2 3,-0.1 -0.394 22.5 -84.9-112.6-170.5 39.8 -5.4 79.5 86 89 A G - 0 0 16 50,-2.8 -1,-0.2 1,-0.2 52,-0.1 0.148 67.8 -49.4 -80.1-161.2 38.3 -4.8 76.0 87 90 A P - 0 0 59 0, 0.0 49,-2.3 0, 0.0 -1,-0.2 -0.308 58.3-112.5 -71.8 158.7 39.4 -2.2 73.4 88 91 A S B > -F 135 0B 9 47,-0.2 4,-2.2 1,-0.1 47,-0.2 -0.378 31.2-105.8 -80.7 170.4 39.8 1.5 74.3 89 92 A L H > S+ 0 0 0 45,-1.7 4,-1.7 42,-1.5 43,-0.2 0.750 122.5 57.8 -71.5 -21.1 37.4 4.1 72.9 90 93 A E H > S+ 0 0 28 41,-0.8 4,-2.8 44,-0.3 5,-0.3 0.960 106.4 47.6 -71.0 -48.4 40.2 5.2 70.6 91 94 A D H > S+ 0 0 88 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.953 114.7 46.3 -54.8 -53.8 40.5 1.7 69.1 92 95 A L H X S+ 0 0 13 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.840 110.0 55.4 -59.7 -33.8 36.7 1.5 68.7 93 96 A F H <>S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 6,-0.7 0.974 112.4 40.2 -64.2 -53.3 36.7 4.9 67.2 94 97 A N H ><5S+ 0 0 73 -4,-2.8 3,-2.5 3,-0.2 -2,-0.2 0.925 110.5 59.5 -59.8 -43.5 39.2 4.0 64.5 95 98 A F H 3<5S+ 0 0 126 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.890 105.7 49.4 -51.2 -41.9 37.4 0.6 64.1 96 99 A C T ><5S- 0 0 8 -4,-2.0 3,-0.5 -3,-0.2 -1,-0.3 0.010 127.9-103.0 -88.2 29.3 34.3 2.7 63.2 97 100 A S T < 5S- 0 0 83 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.833 71.7 -63.5 53.6 35.1 36.4 4.7 60.7 98 101 A R T 3 > - 0 0 53 -2,-0.4 4,-2.5 1,-0.1 3,-0.7 -0.524 27.9-105.3 -81.9 157.0 26.8 8.5 65.8 102 105 A L H 3> S+ 0 0 40 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.866 119.1 55.2 -47.6 -47.2 25.0 10.9 68.3 103 106 A K H 3> S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.890 109.9 45.5 -57.2 -44.0 23.3 8.0 70.1 104 107 A T H <> S+ 0 0 1 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.919 112.4 50.5 -67.5 -42.6 26.7 6.3 70.8 105 108 A V H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.965 116.0 43.0 -58.5 -48.1 28.2 9.6 71.9 106 109 A L H X S+ 0 0 5 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.900 113.7 50.8 -62.7 -43.0 25.2 10.2 74.2 107 110 A L H X S+ 0 0 1 -4,-2.9 4,-0.7 -5,-0.3 -1,-0.2 0.862 117.1 41.4 -62.5 -37.3 25.3 6.5 75.4 108 111 A L H >X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 3,-0.8 0.922 107.9 58.9 -76.7 -47.1 29.0 6.9 76.1 109 112 A A H 3X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.3 5,-0.2 0.862 99.5 60.2 -50.5 -42.1 28.9 10.4 77.7 110 113 A D H 3X S+ 0 0 13 -4,-1.8 4,-0.6 1,-0.2 -1,-0.3 0.873 111.6 37.7 -57.2 -42.7 26.5 9.1 80.3 111 114 A Q H XX S+ 0 0 13 -3,-0.8 4,-2.1 -4,-0.7 3,-0.6 0.915 112.3 56.6 -78.6 -39.3 29.0 6.6 81.6 112 115 A M H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.892 106.4 50.4 -60.6 -38.7 32.1 8.8 81.2 113 116 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.793 110.2 51.8 -68.3 -27.4 30.6 11.5 83.4 114 117 A S H <>S+ 0 0 1 -4,-1.9 5,-1.7 -3,-0.3 3,-0.9 0.943 110.7 50.2 -59.9 -41.9 37.0 9.3 91.0 120 123 A H H ><5S+ 0 0 2 -4,-1.9 3,-2.4 1,-0.3 -2,-0.2 0.875 100.7 60.4 -65.2 -40.3 36.2 12.7 92.5 121 124 A S H 3<5S+ 0 0 65 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.751 102.5 56.1 -60.2 -22.0 34.0 11.3 95.3 122 125 A K T <<5S- 0 0 66 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.117 126.9-102.1 -95.4 19.0 37.2 9.5 96.4 123 126 A N T < 5S+ 0 0 15 -3,-2.4 33,-2.7 1,-0.2 34,-0.7 0.519 84.5 112.2 73.9 13.2 39.1 12.8 96.6 124 127 A F E < -H 155 0C 15 -5,-1.7 2,-0.4 31,-0.3 31,-0.2 -0.827 53.1-150.1-121.2 155.2 41.0 12.5 93.3 125 128 A I E -H 154 0C 1 29,-2.7 29,-1.8 -2,-0.3 67,-0.1 -0.897 15.6-144.8-114.0 141.7 41.2 14.3 89.9 126 129 A H - 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0 0 82 -2,-0.4 3,-0.1 1,-0.1 2,-0.1 -0.561 7.6-141.0 -99.6 162.8 50.5 17.8 82.5 175 180 A G - 0 0 25 -48,-0.2 2,-0.3 1,-0.2 -1,-0.1 -0.090 55.0 -25.3-103.3-153.2 48.5 15.4 80.2 176 181 A T >> - 0 0 45 1,-0.2 3,-1.0 -2,-0.1 4,-0.7 -0.413 50.8-148.4 -61.9 118.6 47.6 15.4 76.5 177 182 A A T 34 S+ 0 0 11 -2,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.745 92.5 67.3 -60.7 -23.7 47.6 19.1 75.3 178 183 A R T 34 S+ 0 0 72 1,-0.2 -1,-0.2 54,-0.0 35,-0.1 0.842 112.1 27.5 -66.7 -37.4 44.9 18.2 72.8 179 184 A Y T <4 S+ 0 0 4 -3,-1.0 22,-0.2 2,-0.0 -1,-0.2 0.306 94.0 128.2-107.3 7.2 42.2 17.5 75.4 180 185 A A < - 0 0 8 -4,-0.7 2,-0.1 -3,-0.2 -3,-0.0 -0.263 60.9-114.3 -66.0 147.9 43.6 19.9 78.1 181 186 A S > - 0 0 0 1,-0.1 4,-1.6 13,-0.0 3,-0.5 -0.440 27.7-108.2 -78.1 159.6 41.4 22.5 79.7 182 187 A I H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.874 119.2 55.4 -55.6 -40.1 42.0 26.2 79.1 183 188 A N H >>S+ 0 0 18 2,-0.2 5,-2.5 1,-0.2 4,-0.5 0.870 101.2 56.7 -61.5 -41.2 43.3 26.6 82.7 184 189 A T H >45S+ 0 0 21 -3,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.955 109.8 47.1 -55.4 -44.2 45.8 23.9 82.2 185 190 A H H 3<5S+ 0 0 17 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.790 107.7 55.3 -67.0 -31.4 47.1 26.0 79.3 186 191 A L H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.436 120.1-109.7 -81.0 -2.0 47.0 29.2 81.5 187 192 A G T <<5S+ 0 0 21 -3,-1.4 -17,-1.7 -4,-0.5 2,-0.3 0.669 70.1 142.8 82.5 20.7 49.3 27.4 84.0 188 193 A I B < -J 169 0E 5 -5,-2.5 -1,-0.3 -19,-0.3 -19,-0.2 -0.641 58.9 -94.1 -96.3 148.8 46.6 27.1 86.7 189 194 A E - 0 0 26 -21,-2.3 2,-0.2 -2,-0.3 -1,-0.1 -0.291 44.3-120.9 -59.2 140.7 46.2 24.1 89.1 190 195 A Q + 0 0 7 -6,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.592 38.6 163.2 -86.8 148.7 43.7 21.5 87.8 191 196 A S >> - 0 0 1 -2,-0.2 3,-1.4 -67,-0.0 4,-1.0 -0.784 55.3 -56.8-147.3-170.9 40.6 20.5 89.8 192 197 A R H >> S+ 0 0 16 1,-0.3 4,-1.2 68,-0.2 3,-0.8 0.848 126.8 55.4 -42.9 -50.0 37.2 18.8 89.3 193 198 A R H 3> S+ 0 0 15 67,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.810 100.6 58.9 -56.9 -35.0 36.0 21.1 86.6 194 199 A D H <> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.848 100.5 54.8 -68.2 -31.9 39.0 20.5 84.4 195 200 A D H - 0 0 5 -2,-0.3 3,-2.0 1,-0.1 -6,-0.0 -0.599 29.3-119.8 -85.9 151.3 39.5 18.8 66.9 212 217 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 20,-0.0 0.789 115.2 49.4 -58.6 -31.6 40.2 22.2 65.2 213 218 A W T 3 S+ 0 0 4 -35,-0.1 3,-0.4 22,-0.0 2,-0.4 0.196 88.6 119.8 -91.7 13.5 43.5 22.6 67.1 214 219 A Q S < S+ 0 0 47 -3,-2.0 -4,-0.0 1,-0.2 -36,-0.0 -0.681 75.6 2.2 -87.4 130.1 44.6 19.1 66.1 215 220 A G + 0 0 63 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.963 65.3 159.3 65.4 59.1 47.7 18.6 64.1 216 221 A L - 0 0 39 -3,-0.4 -2,-0.1 8,-0.1 -1,-0.1 0.742 35.6-149.3 -81.4 -23.0 49.0 22.2 63.7 217 222 A K - 0 0 169 2,-0.0 2,-0.0 1,-0.0 -3,-0.0 0.971 22.8-175.0 50.4 83.6 52.5 20.9 62.9 218 223 A A - 0 0 33 1,-0.2 6,-0.1 3,-0.1 2,-0.0 -0.050 25.9 -70.4 -91.0-163.5 54.8 23.6 64.3 219 224 A A - 0 0 82 4,-0.2 -1,-0.2 1,-0.1 -2,-0.0 -0.089 50.6 -90.4 -83.0-176.4 58.6 24.1 64.1 220 225 A T S S+ 0 0 154 4,-0.0 4,-0.1 2,-0.0 -1,-0.1 0.641 88.4 114.0 -70.5 -19.3 61.5 22.3 65.9 221 226 A K S S- 0 0 182 2,-0.1 -3,-0.1 1,-0.1 0, 0.0 -0.073 84.0 -97.9 -52.8 160.5 61.3 24.7 68.8 222 227 A R S S+ 0 0 246 1,-0.1 2,-0.6 2,-0.1 3,-0.2 0.731 101.1 59.0 -53.8 -36.2 60.3 23.4 72.3 223 228 A Q + 0 0 69 1,-0.2 4,-0.2 2,-0.1 -4,-0.2 -0.857 32.9 149.1-116.0 113.1 56.7 24.4 72.3 224 229 A K S >> S+ 0 0 90 -2,-0.6 4,-1.5 2,-0.1 3,-1.1 0.647 77.4 74.4 -95.8 -25.4 54.0 23.3 69.8 225 230 A Y H 3> S+ 0 0 134 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.685 81.9 69.0 -62.1 -19.4 51.5 23.5 72.7 226 231 A E H 3> S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.907 101.8 45.0 -67.0 -40.3 51.7 27.3 72.4 227 232 A R H <> S+ 0 0 111 -3,-1.1 4,-3.3 2,-0.2 5,-0.3 0.943 113.3 49.4 -67.3 -47.7 49.9 27.0 69.0 228 233 A I H X S+ 0 0 14 -4,-1.5 4,-3.3 1,-0.2 5,-0.3 0.966 109.3 52.8 -54.5 -53.5 47.4 24.5 70.4 229 234 A S H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.887 114.7 42.7 -47.1 -49.9 46.8 26.9 73.4 230 235 A E H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.973 113.9 47.5 -64.0 -58.4 46.1 29.7 70.9 231 236 A K H X S+ 0 0 90 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.901 114.9 51.1 -50.7 -41.3 44.0 27.8 68.4 232 237 A K H < S+ 0 0 1 -4,-3.3 3,-0.4 -5,-0.3 -1,-0.2 0.902 112.9 40.8 -65.1 -47.4 42.0 26.5 71.4 233 238 A M H < S+ 0 0 10 -4,-2.4 350,-0.8 -5,-0.3 -1,-0.2 0.736 114.7 54.6 -75.4 -21.5 41.3 29.9 73.1 234 239 A S H < S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.602 91.5 81.6 -84.5 -18.0 40.6 31.5 69.7 235 240 A T S < S- 0 0 18 -4,-0.9 2,-0.1 -3,-0.4 -1,-0.1 -0.828 77.4-144.3 -94.4 106.6 38.0 28.9 68.8 236 241 A P >> - 0 0 36 0, 0.0 4,-2.4 0, 0.0 3,-1.5 -0.415 19.1-118.6 -70.3 145.6 34.7 29.9 70.4 237 242 A I H 3> S+ 0 0 1 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.842 113.3 60.1 -49.5 -38.6 32.4 27.1 71.6 238 243 A E H 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.2 11,-0.1 0.811 110.8 40.6 -63.8 -30.0 29.6 28.2 69.2 239 244 A V H X4 S+ 0 0 91 -3,-1.5 3,-1.0 2,-0.2 -2,-0.2 0.871 114.1 52.4 -84.6 -41.2 32.0 27.6 66.3 240 245 A L H 3< S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.920 116.0 39.6 -60.3 -47.7 33.4 24.4 67.7 241 246 A C T >< S+ 0 0 8 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.2 0.302 85.2 142.4 -88.0 10.2 30.0 22.8 68.2 242 247 A K T < + 0 0 149 -3,-1.0 -3,-0.1 1,-0.3 -4,-0.0 -0.263 68.8 20.2 -56.2 128.2 28.5 24.2 65.0 243 248 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -2,-0.0 -4,-0.0 0.551 108.6 95.9 89.2 9.3 26.2 21.8 63.3 244 249 A Y S < S- 0 0 84 -3,-1.8 -1,-0.3 1,-0.0 5,-0.1 -0.829 87.0 -72.5-128.9 163.7 25.5 19.8 66.5 245 250 A P > - 0 0 35 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.352 43.9-123.5 -56.6 132.0 22.9 19.6 69.2 246 251 A S T 3> S+ 0 0 76 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.721 101.0 82.8 -48.7 -26.8 23.2 22.6 71.6 247 252 A E H 3> S+ 0 0 17 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.788 89.1 54.3 -52.3 -28.5 23.6 20.3 74.6 248 253 A F H <> S+ 0 0 4 -3,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.921 110.4 42.0 -73.3 -43.9 27.3 20.0 73.7 249 254 A A H > S+ 0 0 15 -3,-0.5 4,-2.7 -4,-0.4 5,-0.2 0.884 113.8 53.4 -69.2 -38.8 28.0 23.7 73.6 250 255 A T H X S+ 0 0 52 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.797 107.8 54.0 -64.5 -29.3 25.9 24.1 76.8 251 256 A Y H X S+ 0 0 2 -4,-1.0 4,-1.8 -5,-0.3 -2,-0.2 0.975 111.5 41.2 -68.7 -57.1 28.1 21.3 78.3 252 257 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.906 113.8 52.4 -58.3 -46.1 31.5 23.1 77.6 253 258 A N H X S+ 0 0 28 -4,-2.7 4,-1.7 1,-0.2 3,-0.4 0.949 107.6 52.1 -56.7 -48.9 30.2 26.5 78.6 254 259 A F H X S+ 0 0 52 -4,-1.6 4,-1.1 1,-0.3 -1,-0.2 0.882 110.2 48.4 -55.5 -43.8 29.0 25.2 81.9 255 260 A C H < S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.823 108.9 52.9 -65.9 -36.0 32.3 23.6 82.7 256 261 A R H < S+ 0 0 34 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.767 106.8 54.3 -69.0 -30.1 34.2 26.8 81.8 257 262 A S H < S+ 0 0 30 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.755 84.0 105.4 -75.1 -31.5 32.1 28.8 84.2 258 263 A L S < S- 0 0 12 -4,-1.1 2,-0.2 -5,-0.2 -3,-0.0 -0.190 71.8-121.8 -52.6 143.8 32.7 26.7 87.2 259 264 A R > - 0 0 21 1,-0.1 3,-1.9 4,-0.1 -66,-0.2 -0.566 31.0 -98.4 -86.9 156.1 35.0 28.1 89.8 260 265 A F T 3 S+ 0 0 11 1,-0.3 -67,-0.3 -2,-0.2 -68,-0.2 0.806 122.7 31.4 -41.3 -41.6 38.2 26.3 90.9 261 266 A D T 3 S+ 0 0 76 -70,-0.1 -1,-0.3 -69,-0.1 2,-0.1 0.402 86.2 121.8-104.6 1.9 36.5 24.8 94.0 262 267 A D < - 0 0 38 -3,-1.9 -69,-0.2 1,-0.1 -70,-0.0 -0.412 63.3-126.9 -65.9 138.9 32.8 24.4 92.9 263 268 A K - 0 0 151 -2,-0.1 2,-0.1 -71,-0.1 -4,-0.1 -0.766 36.1-117.4 -82.3 127.2 31.5 20.9 93.1 264 269 A P - 0 0 4 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.433 11.3-122.1 -70.7 146.4 30.1 20.2 89.6 265 270 A D > + 0 0 84 1,-0.2 4,-1.6 -2,-0.1 3,-0.2 -0.653 38.3 174.5 -85.8 82.7 26.4 19.4 89.1 266 271 A Y H > S+ 0 0 10 -2,-1.7 4,-2.6 1,-0.2 5,-0.2 0.913 73.1 54.7 -58.4 -46.6 27.0 16.0 87.5 267 272 A S H > S+ 0 0 72 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.868 104.8 55.1 -57.6 -38.1 23.3 15.1 87.3 268 273 A Y H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.933 109.7 47.6 -59.3 -45.5 22.6 18.3 85.4 269 274 A L H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.898 113.9 44.6 -64.7 -41.3 25.2 17.2 83.0 270 275 A R H X S+ 0 0 38 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.910 111.0 58.3 -68.1 -35.5 23.8 13.7 82.6 271 276 A Q H X S+ 0 0 102 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.860 99.9 55.3 -58.9 -45.0 20.4 15.4 82.4 272 277 A L H X S+ 0 0 22 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.924 114.1 39.8 -56.5 -49.0 21.3 17.5 79.3 273 278 A F H X S+ 0 0 3 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.927 113.7 52.3 -71.9 -42.8 22.4 14.4 77.3 274 279 A R H X S+ 0 0 106 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.911 107.5 52.6 -60.3 -43.3 19.6 12.1 78.5 275 280 A N H X S+ 0 0 72 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.885 112.5 45.7 -58.2 -39.2 16.9 14.6 77.6 276 281 A L H X S+ 0 0 1 -4,-1.3 4,-2.6 -5,-0.2 -1,-0.2 0.873 110.7 53.6 -69.6 -40.7 18.5 14.8 74.1 277 282 A F H <>S+ 0 0 7 -4,-2.7 5,-1.6 1,-0.2 4,-0.3 0.979 112.7 42.9 -57.2 -56.8 18.7 11.0 73.9 278 283 A H H ><5S+ 0 0 117 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.834 111.7 57.0 -59.8 -34.0 15.0 10.7 74.7 279 284 A R H 3<5S+ 0 0 139 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.958 103.0 50.3 -64.2 -52.8 14.1 13.5 72.4 280 285 A Q T 3<5S- 0 0 97 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.463 120.1-112.2 -66.2 -0.1 15.7 11.9 69.3 281 286 A G T < 5 + 0 0 60 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.883 56.1 168.0 71.6 44.4 13.7 8.8 70.2 282 287 A F < - 0 0 56 -5,-1.6 2,-0.2 1,-0.0 -1,-0.2 -0.725 32.6-130.5 -97.0 139.9 16.6 6.5 71.2 283 288 A S - 0 0 73 -2,-0.4 2,-1.4 1,-0.1 -1,-0.0 -0.570 19.6-126.7 -82.8 142.0 16.2 3.2 72.9 284 289 A Y + 0 0 94 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.406 64.0 130.5 -89.8 59.1 18.4 2.7 76.0 285 290 A D - 0 0 59 -2,-1.4 2,-0.2 2,-0.1 -178,-0.0 -0.644 70.0-117.2 -97.5 162.6 19.9 -0.6 74.8 286 291 A Y + 0 0 97 -2,-0.3 2,-0.8 2,-0.0 -2,-0.1 -0.189 67.4 136.5 -98.6 44.2 23.6 -0.9 74.9 287 292 A V - 0 0 49 -2,-0.2 2,-0.2 4,-0.0 -2,-0.1 -0.854 33.7-175.6 -92.8 108.6 23.8 -1.3 71.1 288 293 A F >> - 0 0 2 -2,-0.8 3,-2.2 1,-0.0 4,-1.2 -0.570 41.5 -95.1-101.4 167.8 26.7 0.9 70.0 289 294 A D H >> S+ 0 0 28 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.913 123.2 56.9 -45.6 -54.1 28.1 1.8 66.5 290 295 A W H 34 S+ 0 0 32 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.619 102.8 55.8 -58.2 -13.7 30.7 -1.0 66.7 291 296 A N H X4 S+ 0 0 65 -3,-2.2 3,-0.6 2,-0.1 -1,-0.3 0.811 109.5 45.0 -86.4 -34.0 27.9 -3.6 67.2 292 297 A M H X< S+ 0 0 105 -4,-1.2 3,-3.0 -3,-1.1 4,-0.2 0.731 90.3 84.7 -79.5 -26.7 26.1 -2.5 64.0 293 298 A L G >< S+ 0 0 74 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.732 77.2 70.9 -49.5 -24.8 29.2 -2.5 62.0 294 299 A K G < S+ 0 0 162 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.622 100.4 45.2 -71.3 -9.5 28.8 -6.2 61.4 295 300 A F G < 0 0 155 -3,-3.0 -1,-0.3 1,-0.5 -2,-0.2 0.267 360.0 360.0-115.1 8.4 25.8 -5.5 59.2 296 301 A G < 0 0 93 -3,-1.3 -1,-0.5 -4,-0.2 -2,-0.0 -0.338 360.0 360.0 110.9 360.0 27.4 -2.7 57.1 297 !* 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 0.0 298 1 B M 0 0 242 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-177.1 80.4 52.2 78.1 299 2 B E - 0 0 90 1,-0.1 2,-0.6 8,-0.0 0, 0.0 -0.527 360.0-114.4 -73.0 134.2 77.1 50.3 78.2 300 3 B L + 0 0 110 -2,-0.3 8,-1.7 8,-0.2 2,-0.5 -0.522 41.3 179.5 -68.1 111.7 75.0 50.6 81.4 301 4 B R E > -K 307 0F 103 -2,-0.6 3,-0.6 6,-0.2 2,-0.4 -0.921 18.8-148.7-127.4 112.6 74.9 47.2 83.0 302 8 B V E >> S-K 306 0F 12 4,-2.1 4,-2.2 -2,-0.5 3,-1.9 -0.599 82.5 -16.7 -79.7 120.8 73.1 46.5 86.3 303 9 B G T 34 S- 0 0 3 -2,-0.4 -1,-0.2 1,-0.3 4,-0.1 0.622 108.4 -84.0 61.7 14.6 74.7 43.8 88.4 304 10 B N T <4 S+ 0 0 131 -3,-0.6 -1,-0.3 2,-0.3 -2,-0.1 0.650 126.2 76.2 62.7 18.1 76.7 42.6 85.3 305 11 B R T <4 S+ 0 0 128 -3,-1.9 21,-2.2 1,-0.3 22,-0.5 0.679 89.0 41.1-124.6 -37.3 73.6 40.6 84.3 306 12 B Y E < -KL 302 325F 14 -4,-2.2 -4,-2.1 19,-0.2 2,-0.4 -0.942 67.3-139.0-120.6 137.5 71.0 43.0 82.9 307 13 B R E -KL 301 324F 98 17,-2.0 17,-1.8 -2,-0.4 -6,-0.2 -0.770 30.0-126.1 -90.5 138.4 71.5 45.9 80.6 308 14 B L E + L 0 323F 30 -8,-1.7 15,-0.2 -2,-0.4 -8,-0.2 -0.597 34.5 174.4 -83.3 150.1 69.4 48.9 81.7 309 15 B G E - 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0 0 73 0, 0.0 4,-3.2 0, 0.0 3,-0.3 -0.282 10.2-133.0 -57.7 138.9 24.8 58.5 95.5 534 242 B I H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.879 109.1 58.3 -61.2 -37.1 25.8 55.0 94.4 535 243 B E H 4 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.2 11,-0.1 0.881 112.8 39.5 -59.6 -38.5 22.3 54.7 92.9 536 244 B V H >4 S+ 0 0 81 -3,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.921 113.2 55.4 -75.2 -46.7 23.0 57.7 90.8 537 245 B L H 3< S+ 0 0 9 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.919 112.5 41.6 -50.1 -54.4 26.6 56.7 90.1 538 246 B C T >< S+ 0 0 7 -4,-2.9 3,-2.7 -5,-0.1 -1,-0.3 0.257 84.8 154.3 -82.1 13.7 25.6 53.3 88.7 539 247 B K T < S+ 0 0 159 -3,-1.9 -3,-0.1 1,-0.3 -4,-0.0 -0.162 70.6 6.1 -49.5 122.4 22.7 54.9 86.8 540 248 B G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.328 106.0 107.4 87.2 -7.5 21.8 52.7 83.8 541 249 B Y S < S- 0 0 83 -3,-2.7 -1,-0.3 1,-0.1 5,-0.2 -0.753 87.8 -74.0-104.8 151.5 24.3 49.9 84.6 542 250 B P > - 0 0 33 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.178 45.9-122.6 -44.9 120.1 23.3 46.4 85.9 543 251 B S T 3> S+ 0 0 77 1,-0.3 4,-3.0 2,-0.2 3,-0.4 0.671 100.7 85.2 -36.1 -32.0 22.4 46.8 89.5 544 252 B E H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.844 87.0 52.6 -43.9 -42.1 25.1 44.3 90.5 545 253 B F H <> S+ 0 0 4 -3,-2.3 4,-2.4 2,-0.2 -1,-0.3 0.937 110.9 45.8 -64.3 -43.9 27.6 47.1 90.5 546 254 B A H > S+ 0 0 7 -4,-0.4 4,-2.4 -3,-0.4 -2,-0.2 0.902 112.6 51.9 -64.7 -39.5 25.5 49.2 92.9 547 255 B T H X S+ 0 0 49 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.894 109.5 51.1 -62.3 -40.8 25.0 46.0 94.9 548 256 B Y H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.970 111.6 43.6 -62.0 -58.0 28.7 45.5 95.0 549 257 B L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 114.0 52.6 -57.2 -42.2 29.7 49.0 96.2 550 258 B N H < S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.943 109.4 48.2 -58.1 -49.8 26.9 48.9 98.8 551 259 B F H >X S+ 0 0 51 -4,-2.5 3,-1.4 1,-0.2 4,-0.7 0.921 113.6 48.3 -56.2 -47.4 28.0 45.6 100.2 552 260 B C H >< S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.897 106.8 55.3 -61.9 -42.5 31.6 46.9 100.4 553 261 B R T 3< S+ 0 0 73 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.307 110.0 48.7 -76.4 12.2 30.6 50.2 102.1 554 262 B S T <4 S+ 0 0 81 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.487 77.1 112.4-126.2 -11.8 28.8 48.2 104.8 555 263 B L S << S- 0 0 13 -3,-0.9 2,-0.1 -4,-0.7 -3,-0.0 -0.413 72.9-114.5 -64.2 137.2 31.4 45.6 105.9 556 264 B R > - 0 0 172 1,-0.1 3,-2.6 -2,-0.1 -66,-0.2 -0.422 34.7 -97.0 -69.9 155.7 32.6 46.4 109.4 557 265 B F T 3 S+ 0 0 22 1,-0.3 -67,-0.4 -2,-0.1 -68,-0.1 0.850 125.1 34.2 -38.4 -53.8 36.3 47.3 109.8 558 266 B D T 3 S+ 0 0 94 -70,-0.1 -1,-0.3 -69,-0.1 -97,-0.1 0.253 90.3 136.7 -92.1 12.1 37.5 43.8 110.7 559 267 B D < - 0 0 30 -3,-2.6 -69,-0.2 1,-0.1 -70,-0.1 -0.301 54.7-132.7 -62.5 139.9 34.9 42.1 108.5 560 268 B K - 0 0 123 -71,-0.1 -1,-0.1 -70,-0.0 -2,-0.1 -0.852 31.3-127.9 -93.6 109.4 36.1 39.1 106.4 561 269 B P - 0 0 0 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.226 7.0-127.9 -58.2 148.5 34.6 39.9 102.9 562 270 B D > + 0 0 77 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.803 31.0 178.2 -98.4 87.4 32.6 37.2 101.2 563 271 B Y H > S+ 0 0 7 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.751 75.2 59.9 -63.4 -26.0 34.5 37.1 97.9 564 272 B S H > S+ 0 0 46 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.901 105.6 46.1 -70.6 -41.4 32.4 34.3 96.5 565 273 B Y H > S+ 0 0 102 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.969 111.7 51.7 -65.0 -51.8 29.1 36.3 96.8 566 274 B L H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.878 115.9 41.8 -52.6 -37.6 30.8 39.3 95.3 567 275 B R H X S+ 0 0 22 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.837 107.0 61.5 -77.2 -35.3 31.9 37.1 92.4 568 276 B Q H X S+ 0 0 62 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.826 97.3 60.8 -60.6 -34.0 28.6 35.2 92.2 569 277 B L H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.981 111.5 36.7 -55.9 -59.8 26.9 38.5 91.4 570 278 B F H X S+ 0 0 5 -4,-0.9 4,-2.9 1,-0.2 -2,-0.2 0.854 114.3 54.6 -65.2 -38.7 28.9 39.0 88.2 571 279 B R H X S+ 0 0 32 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.847 110.7 48.5 -65.1 -30.5 29.0 35.4 87.2 572 280 B N H X S+ 0 0 75 -4,-2.0 4,-2.5 -3,-0.2 -2,-0.2 0.860 112.8 46.9 -74.2 -37.2 25.2 35.4 87.5 573 281 B L H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.859 109.4 53.9 -71.1 -34.9 25.1 38.6 85.4 574 282 B F H <>S+ 0 0 5 -4,-2.9 5,-1.9 1,-0.2 -2,-0.2 0.924 112.5 46.7 -63.8 -41.3 27.5 37.0 82.9 575 283 B H H ><5S+ 0 0 143 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.915 108.2 51.1 -67.8 -48.6 25.1 34.1 82.7 576 284 B R H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.3 58.6 -62.5 -26.3 21.8 36.1 82.3 577 285 B Q T 3<5S- 0 0 81 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.345 113.5-120.4 -83.2 3.3 23.4 38.1 79.4 578 286 B G T < 5 + 0 0 63 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.722 52.6 168.2 65.1 21.2 23.9 34.8 77.6 579 287 B F < - 0 0 49 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.479 24.0-144.5 -71.2 133.4 27.7 35.5 77.6 580 288 B S - 0 0 21 -2,-0.2 2,-1.5 -3,-0.1 -1,-0.0 -0.670 23.1-103.5 -96.9 155.6 29.7 32.5 76.5 581 289 B Y + 0 0 36 -2,-0.3 2,-0.3 2,-0.1 -344,-0.2 -0.586 62.8 138.6 -85.7 83.9 33.2 31.6 78.0 582 290 B D - 0 0 24 -2,-1.5 2,-0.3 2,-0.2 -348,-0.1 -0.890 54.6-131.2-119.4 148.6 35.7 32.6 75.3 583 291 B Y + 0 0 60 -350,-0.8 2,-0.5 -2,-0.3 -2,-0.1 -0.270 67.7 120.1 -97.6 48.9 38.9 34.3 76.1 584 292 B V - 0 0 53 -2,-0.3 2,-0.2 -144,-0.0 -2,-0.2 -0.957 44.8-168.0-111.5 124.1 38.4 37.0 73.4 585 293 B F > - 0 0 0 -2,-0.5 3,-1.8 1,-0.1 4,-0.5 -0.606 38.1 -92.1-110.2 174.8 38.4 40.5 74.9 586 294 B D G > S+ 0 0 9 1,-0.3 3,-2.8 -2,-0.2 4,-0.3 0.932 124.7 54.5 -46.7 -56.8 37.5 44.0 73.7 587 295 B W G > S+ 0 0 32 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.680 100.8 61.9 -54.7 -20.0 41.0 44.7 72.6 588 296 B N G < S+ 0 0 90 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.551 96.3 58.1 -83.5 -11.7 40.9 41.5 70.5 589 297 B M G < 0 0 131 -3,-2.8 -1,-0.2 -4,-0.5 -2,-0.2 0.371 360.0 360.0 -96.6 1.8 38.1 42.9 68.3 590 298 B L < 0 0 118 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.1 0.813 360.0 360.0 -92.5 360.0 40.1 45.9 67.2