==== 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 1CKI . COMPND 2 MOLECULE: CASEIN KINASE I DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.L.LONGENECKER,P.J.ROACH,T.D.HURLEY . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 67.0 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 . 92 15.9 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 5 0 0 2 0 0 3 2 1 0 1 1 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 5 3 0 1 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 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 237 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.3 63.0 -20.8 77.9 2 2 A E - 0 0 106 1,-0.1 2,-0.5 8,-0.0 8,-0.0 -0.515 360.0-125.8 -73.7 135.9 59.5 -19.3 78.4 3 3 A L + 0 0 112 8,-0.2 8,-1.3 -2,-0.2 2,-0.3 -0.749 35.2 176.1 -87.4 126.8 59.7 -15.9 80.1 4 4 A R E -A 10 0A 116 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.964 22.2-137.5-133.5 149.4 57.6 -15.6 83.3 5 8 A V E >> -A 9 0A 0 4,-3.2 4,-1.6 -2,-0.3 3,-0.8 -0.898 69.5 -24.6-110.9 132.4 57.1 -12.9 85.9 6 9 A G T 34 S- 0 0 33 -2,-0.4 -2,-0.1 1,-0.2 4,-0.0 -0.586 113.9 -49.9 76.0-110.2 56.8 -13.6 89.6 7 10 A N T 34 S+ 0 0 132 -2,-0.7 -1,-0.2 3,-0.0 3,-0.1 0.499 130.4 14.1-136.5 -16.5 55.7 -17.2 90.0 8 11 A R T <4 S+ 0 0 50 -3,-0.8 21,-2.6 1,-0.1 2,-0.9 0.474 90.2 99.9-141.9 -11.2 52.6 -17.6 87.8 9 12 A Y E < -AB 5 28A 22 -4,-1.6 -4,-3.2 19,-0.2 2,-0.5 -0.760 56.6-152.9 -91.8 103.7 52.2 -14.8 85.3 10 13 A R E -AB 4 27A 87 17,-3.0 17,-2.3 -2,-0.9 -6,-0.2 -0.621 19.5-131.7 -72.8 122.8 53.5 -15.8 81.9 11 14 A L E + B 0 26A 31 -8,-1.3 15,-0.2 -2,-0.5 -8,-0.2 -0.506 31.3 174.6 -79.9 143.7 54.6 -12.6 80.1 12 15 A G E - 0 0 36 13,-2.8 3,-0.1 1,-0.3 -1,-0.1 -0.468 37.5 -31.9-128.4-159.4 53.5 -12.0 76.5 13 16 A R E - 0 0 203 -2,-0.2 12,-2.9 11,-0.1 2,-0.9 -0.067 65.0 -98.5 -59.7 158.5 53.6 -9.4 73.8 14 17 A K E - B 0 24A 105 10,-0.2 10,-0.2 1,-0.2 -1,-0.1 -0.730 36.8-177.5 -82.5 107.0 53.7 -5.6 74.5 15 18 A I E - 0 0 79 -2,-0.9 2,-0.3 8,-0.7 9,-0.2 0.518 56.9 -54.7 -83.4 -7.2 50.1 -4.4 74.0 16 19 A G E - B 0 23A 29 7,-1.4 7,-2.9 9,-0.0 -1,-0.2 -0.942 51.0 -89.9 158.1-179.6 50.8 -0.8 74.6 17 20 A S E + B 0 22A 90 5,-0.3 5,-0.3 -2,-0.3 2,-0.2 -0.594 28.5 175.7-115.5 180.0 52.3 2.0 76.8 18 21 A G - 0 0 31 3,-2.8 3,-0.4 -2,-0.2 5,-0.0 -0.738 51.1 -74.4-159.4-157.3 51.0 4.3 79.5 19 22 A S S S+ 0 0 45 -2,-0.2 2,-1.7 1,-0.2 -1,-0.1 0.941 127.1 45.5 -81.2 -53.2 52.3 6.9 81.9 20 23 A F S S- 0 0 16 -3,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.351 128.9 -79.0 -87.2 55.7 54.1 4.6 84.2 21 24 A G S S- 0 0 29 -2,-1.7 -3,-2.8 -3,-0.4 2,-0.3 -0.629 75.7 -25.5 96.3-147.5 55.7 2.6 81.4 22 25 A D E -BC 17 39A 56 17,-0.7 17,-1.6 -5,-0.3 2,-0.4 -0.833 44.2-135.4-115.9 154.1 54.3 -0.1 79.2 23 26 A I E -BC 16 38A 29 -7,-2.9 -7,-1.4 -2,-0.3 -8,-0.7 -0.896 22.4-167.8-108.8 132.9 51.5 -2.7 79.5 24 27 A Y E -BC 14 37A 48 13,-3.2 13,-3.1 -2,-0.4 -10,-0.2 -0.900 25.9-112.6-120.5 151.2 52.2 -6.2 78.4 25 28 A L E + C 0 36A 58 -12,-2.9 -13,-2.8 -2,-0.3 2,-0.3 -0.551 44.2 177.5 -78.4 145.4 49.7 -9.1 77.8 26 29 A G E -BC 11 35A 0 9,-2.1 9,-2.7 -15,-0.2 2,-0.4 -0.944 23.5-137.2-145.9 166.7 50.2 -11.8 80.4 27 30 A T E -BC 10 34A 25 -17,-2.3 -17,-3.0 -2,-0.3 2,-1.7 -0.970 14.6-136.8-136.3 118.8 48.7 -15.1 81.4 28 31 A D E >>> -BC 9 33A 15 5,-3.0 4,-2.3 -2,-0.4 3,-2.3 -0.584 21.5-170.2 -70.8 91.4 47.9 -16.3 84.9 29 32 A I T 345S+ 0 0 73 -21,-2.6 -1,-0.2 -2,-1.7 -20,-0.1 0.852 80.3 67.1 -54.1 -32.5 49.3 -19.8 84.3 30 33 A A T 345S+ 0 0 78 -22,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.563 126.5 4.1 -66.3 -12.7 47.8 -20.8 87.6 31 34 A A T <45S- 0 0 79 -3,-2.3 -2,-0.2 -23,-0.2 -1,-0.2 0.298 99.1-110.7-154.8 8.5 44.2 -20.3 86.3 32 35 A G T <5 + 0 0 47 -4,-2.3 2,-0.6 1,-0.2 -3,-0.2 0.837 63.1 149.0 60.4 38.5 44.5 -19.5 82.6 33 36 A E E < -C 28 0A 56 -5,-1.0 -5,-3.0 50,-0.0 2,-0.3 -0.903 43.6-138.8-107.2 117.2 43.4 -15.8 82.9 34 37 A E E +C 27 0A 110 -2,-0.6 50,-0.6 -7,-0.2 -7,-0.3 -0.600 36.9 171.3 -71.5 131.6 44.9 -13.5 80.3 35 38 A V E -CD 26 83A 0 -9,-2.7 -9,-2.1 -2,-0.3 2,-0.4 -0.641 35.3-105.8-129.8-173.6 45.8 -10.3 82.3 36 39 A A E -CD 25 82A 5 46,-2.7 46,-3.2 -11,-0.2 2,-0.5 -0.983 28.9-161.5-121.8 129.9 47.6 -7.0 81.7 37 40 A I E -CD 24 81A 0 -13,-3.1 -13,-3.2 -2,-0.4 2,-0.5 -0.970 2.0-158.8-116.3 128.6 51.0 -6.6 83.4 38 41 A K E -CD 23 80A 6 42,-3.3 42,-2.4 -2,-0.5 2,-0.4 -0.950 13.8-162.4-108.6 126.4 52.5 -3.2 83.9 39 42 A L E -CD 22 79A 19 -17,-1.6 -17,-0.7 -2,-0.5 2,-0.4 -0.889 12.6-177.2-113.7 145.2 56.3 -3.1 84.3 40 43 A E E - D 0 78A 28 38,-1.9 38,-2.8 -2,-0.4 2,-0.2 -0.986 26.6-124.6-141.2 122.9 58.6 -0.4 85.7 41 44 A C E - D 0 77A 50 -2,-0.4 36,-0.3 36,-0.2 35,-0.1 -0.461 27.8-113.4 -70.5 138.7 62.4 -0.6 85.9 42 45 A V S S+ 0 0 75 34,-1.6 2,-0.8 -2,-0.2 -1,-0.1 0.513 73.6 128.9 -48.5 -8.3 64.0 -0.1 89.3 43 46 A K > - 0 0 147 33,-0.3 2,-1.7 1,-0.2 3,-0.8 -0.335 55.3-148.3 -58.7 101.9 65.7 3.1 88.2 44 47 A T T 3 + 0 0 111 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.112 63.6 119.9 -62.3 27.9 64.6 5.4 91.1 45 48 A K T 3 S- 0 0 166 -2,-1.7 -1,-0.3 1,-0.2 -3,-0.1 0.969 103.6 -22.6 -57.1 -54.5 64.5 8.4 88.6 46 49 A H S < S- 0 0 77 -3,-0.8 -1,-0.2 0, 0.0 -2,-0.1 -0.357 77.4-165.5-155.9 60.8 60.8 8.9 89.3 47 50 A P + 0 0 42 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.365 25.3 150.7 -56.8 126.6 59.4 5.6 90.7 48 51 A Q >> + 0 0 30 -2,-0.1 3,-2.0 2,-0.1 4,-1.6 0.630 40.2 91.2-131.2 -29.3 55.6 5.8 90.5 49 52 A L H 3> S+ 0 0 6 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.740 88.3 59.3 -46.4 -28.0 53.9 2.4 89.9 50 53 A H H 3> S+ 0 0 74 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.877 108.1 45.5 -69.1 -36.2 53.7 2.1 93.7 51 54 A I H X> S+ 0 0 61 -3,-2.0 4,-2.0 2,-0.2 3,-0.7 0.978 112.2 46.8 -70.1 -60.3 51.6 5.2 93.9 52 55 A E H 3X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.3 -2,-0.2 0.873 110.3 58.0 -52.4 -35.0 49.2 4.5 91.0 53 56 A S H 3X S+ 0 0 11 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.3 0.909 103.7 50.2 -62.5 -42.6 48.8 1.0 92.6 54 57 A K H < S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.1 -1,-0.2 0.323 88.4 131.1 -78.1 0.8 39.2 3.1 93.8 60 63 A Q T 3 + 0 0 60 1,-0.2 3,-0.1 -5,-0.2 -3,-0.1 -0.222 62.1 27.0 -58.0 149.2 38.6 -0.6 94.2 61 64 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 4,-0.2 3,-0.1 -0.015 89.8 121.6 89.4 -31.4 35.0 -1.7 94.3 62 65 A G S X S- 0 0 14 -3,-1.3 3,-1.2 1,-0.1 -1,-0.3 -0.292 75.6 -93.1 -67.6 151.2 33.6 1.2 92.2 63 66 A V T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -3,-0.1 55,-0.1 -0.427 109.1 13.0 -63.7 129.0 31.8 0.5 88.9 64 67 A G T 3 S+ 0 0 5 1,-0.2 83,-2.4 -2,-0.1 -1,-0.2 0.745 91.8 121.5 77.8 23.5 34.2 0.7 86.0 65 68 A I < - 0 0 10 -3,-1.2 -1,-0.2 81,-0.2 -4,-0.2 -0.980 65.3-117.7-116.0 124.3 37.5 0.6 87.9 66 69 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.351 24.2-118.0 -66.1 146.3 39.7 -2.4 86.9 67 70 A T - 0 0 53 -7,-0.1 16,-2.8 -6,-0.1 2,-0.4 -0.704 22.4-132.5 -83.8 128.3 40.6 -5.0 89.6 68 71 A I E -E 82 0A 23 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.688 16.3-165.3 -81.8 132.3 44.3 -5.2 90.4 69 72 A R E - 0 0 97 12,-2.7 2,-0.3 -2,-0.4 13,-0.2 0.923 59.6 -24.6 -81.9 -52.1 45.5 -8.9 90.4 70 73 A W E -E 81 0A 78 11,-1.5 11,-3.2 2,-0.0 -1,-0.3 -0.968 50.3-154.5-159.5 163.4 48.9 -8.7 92.1 71 74 A C E +E 80 0A 52 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 35.3 105.8-145.6 147.0 51.8 -6.4 92.8 72 75 A G E -E 79 0A 29 7,-1.7 7,-2.6 -2,-0.3 2,-0.3 -0.945 56.0 -73.4 176.8-154.5 55.5 -7.0 93.5 73 76 A A E -E 78 0A 72 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.999 23.8-176.9-140.4 138.4 59.0 -7.0 92.2 74 77 A E E > -E 77 0A 51 3,-2.9 3,-0.9 -2,-0.3 -2,-0.0 -0.906 63.3 -64.3-136.7 101.0 60.9 -9.2 89.7 75 78 A G T 3 S- 0 0 70 -2,-0.4 2,-0.2 1,-0.3 -1,-0.2 -0.265 124.5 -0.4 57.2-131.1 64.5 -8.3 89.3 76 79 A D T 3 S+ 0 0 122 -3,-0.1 -34,-1.6 -35,-0.1 2,-0.4 0.087 123.3 91.2 -76.8 29.0 64.9 -4.8 87.9 77 80 A Y E < -DE 41 74A 97 -3,-0.9 -3,-2.9 -36,-0.3 2,-0.4 -0.976 59.8-155.6-138.9 139.5 61.1 -4.5 87.7 78 81 A N E -DE 40 73A 53 -38,-2.8 -38,-1.9 -2,-0.4 2,-0.5 -0.845 31.7-154.7 -97.3 136.5 58.1 -3.4 89.8 79 82 A V E -DE 39 72A 2 -7,-2.6 -7,-1.7 -2,-0.4 2,-0.6 -0.965 21.9-177.5-128.7 123.5 55.1 -5.3 88.6 80 83 A M E -DE 38 71A 1 -42,-2.4 -42,-3.3 -2,-0.5 2,-0.5 -0.978 13.9-165.1-113.7 118.3 51.4 -4.4 88.7 81 84 A V E +DE 37 70A 0 -11,-3.2 -12,-2.7 -2,-0.6 -11,-1.5 -0.925 17.7 170.2-105.3 128.6 49.2 -7.1 87.4 82 85 A M E -DE 36 68A 17 -46,-3.2 -46,-2.7 -2,-0.5 -14,-0.2 -0.951 40.2 -72.9-142.7 161.9 45.6 -6.2 86.6 83 86 A E E -D 35 0A 43 -16,-2.8 2,-0.3 -2,-0.3 -48,-0.1 -0.190 47.9-130.7 -50.2 124.0 42.4 -7.3 85.0 84 87 A L - 0 0 46 -50,-0.6 54,-0.2 -58,-0.1 2,-0.1 -0.650 30.4-169.9 -79.9 138.8 42.7 -7.2 81.1 85 88 A L - 0 0 17 -2,-0.3 52,-0.2 1,-0.2 3,-0.1 -0.366 20.6 -89.1-116.2-163.6 39.8 -5.4 79.4 86 89 A G - 0 0 14 50,-2.6 -1,-0.2 1,-0.3 52,-0.1 -0.110 67.8 -39.1 -93.7-160.7 38.4 -4.9 76.0 87 90 A P - 0 0 57 0, 0.0 49,-3.0 0, 0.0 -1,-0.3 -0.061 58.9-119.6 -60.0 157.4 39.1 -2.3 73.3 88 91 A S B > -F 135 0B 7 47,-0.3 4,-2.6 -3,-0.1 47,-0.3 -0.493 29.6-105.5 -90.0 170.8 39.7 1.4 74.2 89 92 A L H > S+ 0 0 0 45,-2.3 4,-2.0 42,-1.2 43,-0.2 0.743 123.0 54.6 -70.7 -20.0 37.4 4.1 72.9 90 93 A E H > S+ 0 0 24 41,-0.6 4,-2.7 44,-0.3 5,-0.3 0.925 108.5 47.5 -76.0 -44.7 40.2 5.1 70.5 91 94 A D H > S+ 0 0 90 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.960 116.0 45.6 -58.4 -49.3 40.5 1.6 69.1 92 95 A L H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.894 110.1 54.0 -62.7 -38.3 36.7 1.5 68.8 93 96 A F H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 6,-0.6 0.904 114.2 40.9 -64.8 -39.9 36.7 5.0 67.2 94 97 A N H ><5S+ 0 0 76 -4,-2.7 3,-2.1 3,-0.2 -2,-0.2 0.905 109.2 59.0 -74.3 -37.1 39.2 3.9 64.6 95 98 A F H 3<5S+ 0 0 127 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.857 107.6 49.1 -57.2 -33.0 37.5 0.5 64.2 96 99 A C T ><5S- 0 0 1 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.3 -0.020 126.5-100.3 -95.8 26.0 34.4 2.6 63.2 97 100 A S T < 5S- 0 0 79 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.842 70.7 -66.4 60.0 34.4 36.3 4.8 60.7 98 101 A R T 3 - 0 0 28 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.494 29.5-104.8 -85.6 162.7 26.7 8.4 65.8 102 105 A L H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 121.2 55.7 -54.0 -37.3 24.9 10.8 68.3 103 106 A K H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.955 109.2 43.9 -62.2 -52.1 23.4 7.7 70.0 104 107 A T H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.926 112.7 53.5 -61.4 -41.3 26.8 6.1 70.7 105 108 A V H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.952 113.1 42.2 -57.9 -51.0 28.2 9.5 71.8 106 109 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.844 112.2 53.9 -65.0 -37.2 25.4 10.0 74.3 107 110 A L H X S+ 0 0 1 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.978 116.1 40.1 -61.8 -47.1 25.5 6.4 75.5 108 111 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 3,-0.4 0.936 110.8 57.1 -66.1 -46.4 29.3 6.9 76.2 109 112 A A H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.3 -1,-0.2 0.833 102.8 57.0 -54.1 -36.3 28.9 10.4 77.6 110 113 A D H X S+ 0 0 10 -4,-1.9 4,-1.1 -3,-0.2 -1,-0.3 0.912 113.4 36.7 -64.4 -47.6 26.5 9.0 80.2 111 114 A Q H X S+ 0 0 11 -4,-1.3 4,-2.2 -3,-0.4 5,-0.2 0.927 113.7 56.5 -73.4 -42.2 29.0 6.5 81.6 112 115 A M H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 3,-0.4 0.946 105.6 50.7 -55.4 -51.8 32.1 8.7 81.2 113 116 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.904 111.0 50.0 -52.7 -43.6 30.6 11.5 83.3 114 117 A S H X S+ 0 0 30 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.854 108.0 52.4 -65.0 -35.9 29.7 8.9 86.1 115 118 A R H X S+ 0 0 18 -4,-2.2 4,-2.5 -3,-0.4 -1,-0.2 0.928 112.6 45.7 -64.3 -44.5 33.3 7.4 86.0 116 119 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.948 111.2 52.9 -63.2 -45.8 34.7 10.9 86.5 117 120 A E H X S+ 0 0 58 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.923 109.3 49.2 -56.3 -45.9 32.1 11.6 89.2 118 121 A Y H X S+ 0 0 54 -4,-2.7 4,-1.1 1,-0.2 3,-0.5 0.961 108.0 52.9 -59.0 -52.2 33.1 8.5 91.1 119 122 A I H ><>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.3 3,-0.8 0.900 110.3 49.3 -50.2 -43.4 36.8 9.3 90.9 120 123 A H H ><5S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.3 -1,-0.3 0.828 101.5 60.2 -67.0 -36.2 36.1 12.7 92.4 121 124 A S H 3<5S+ 0 0 66 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.756 101.2 58.1 -62.8 -23.1 34.0 11.3 95.3 122 125 A K T <<5S- 0 0 70 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.148 124.1-106.1 -92.7 17.8 37.2 9.5 96.2 123 126 A N T < 5S+ 0 0 18 -3,-2.0 33,-2.6 1,-0.2 34,-0.8 0.532 84.5 107.7 71.8 13.9 39.1 12.8 96.5 124 127 A F E < -H 155 0C 15 -5,-1.5 2,-0.4 31,-0.3 31,-0.2 -0.830 54.8-149.7-122.8 156.5 41.1 12.5 93.3 125 128 A I E -H 154 0C 0 29,-2.6 29,-2.0 -2,-0.3 67,-0.1 -0.966 16.8-140.9-120.4 135.9 41.1 14.2 89.9 126 129 A H - 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0 0 69 1,-0.1 2,-0.1 -2,-0.1 3,-0.1 -0.446 6.1-140.9 -98.2 164.3 50.6 17.7 82.4 175 180 A G - 0 0 25 1,-0.3 -47,-0.1 -48,-0.1 -1,-0.1 -0.221 56.9 -30.8-105.1-156.2 48.4 15.4 80.3 176 181 A T - 0 0 45 1,-0.1 4,-0.4 -2,-0.1 -1,-0.3 -0.331 48.0-146.8 -61.2 137.7 47.6 15.5 76.5 177 182 A A S S+ 0 0 19 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.740 93.3 67.2 -77.6 -22.9 47.5 19.1 75.2 178 183 A R S S+ 0 0 78 1,-0.2 -1,-0.2 48,-0.0 35,-0.1 0.853 113.1 27.5 -64.8 -39.1 44.7 18.1 72.7 179 184 A Y S S+ 0 0 6 -3,-0.2 22,-0.2 2,-0.0 -1,-0.2 0.338 93.9 129.1-105.1 2.6 42.1 17.5 75.5 180 185 A A - 0 0 6 -4,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.222 59.4-120.7 -60.2 145.8 43.6 19.9 78.0 181 186 A S > - 0 0 0 1,-0.1 4,-1.4 20,-0.0 3,-0.4 -0.496 27.3-106.8 -82.4 161.1 41.3 22.5 79.5 182 187 A I H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.913 119.7 57.2 -54.0 -47.0 42.1 26.2 79.1 183 188 A N H 4>S+ 0 0 20 1,-0.2 5,-2.5 2,-0.2 4,-0.5 0.874 101.7 55.9 -51.4 -43.8 43.2 26.5 82.7 184 189 A T H >45S+ 0 0 15 -3,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.919 109.7 46.3 -56.1 -43.9 45.8 23.8 82.1 185 190 A H H 3<5S+ 0 0 3 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.795 108.1 55.5 -68.2 -34.4 47.2 25.9 79.3 186 191 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.478 119.9-112.5 -77.1 -4.4 47.1 29.0 81.4 187 192 A G T < 5 + 0 0 20 -3,-1.0 -17,-2.2 -4,-0.5 2,-0.3 0.823 65.9 146.3 78.8 33.1 49.3 27.2 83.9 188 193 A I B < -J 169 0E 2 -5,-2.5 -1,-0.2 -19,-0.3 -19,-0.2 -0.720 57.9 -96.6-103.4 148.6 46.7 26.9 86.7 189 194 A E - 0 0 28 -21,-2.3 2,-0.1 -2,-0.3 -1,-0.1 -0.433 48.0-121.3 -60.8 134.3 46.4 24.0 89.2 190 195 A Q + 0 0 9 -2,-0.1 2,-0.2 -6,-0.1 -1,-0.1 -0.441 35.4 171.1 -81.6 153.7 43.7 21.6 87.9 191 196 A S >> - 0 0 0 -2,-0.1 3,-1.9 -67,-0.0 4,-1.0 -0.765 53.8 -61.1-142.4-168.9 40.5 20.7 89.8 192 197 A R H >> S+ 0 0 13 1,-0.3 4,-1.5 62,-0.2 3,-0.7 0.876 126.5 59.7 -49.2 -44.3 37.2 18.8 89.2 193 198 A R H 3> S+ 0 0 17 61,-0.4 4,-2.2 63,-0.2 -1,-0.3 0.746 99.1 58.9 -58.4 -27.0 36.1 21.2 86.5 194 199 A D H <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.874 101.1 52.0 -73.8 -36.4 39.1 20.4 84.4 195 200 A D H - 0 0 3 -2,-0.3 3,-2.0 1,-0.1 -6,-0.0 -0.489 32.2-115.9 -74.7 147.4 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 14,-0.0 0.626 114.9 52.3 -57.1 -18.1 40.2 22.1 65.1 213 218 A W T 3 S+ 0 0 5 -35,-0.1 3,-0.3 16,-0.0 2,-0.3 0.081 87.4 109.4-105.9 18.4 43.6 22.5 66.9 214 219 A Q < + 0 0 51 -3,-2.0 -4,-0.0 1,-0.2 0, 0.0 -0.681 69.0 29.2 -94.5 147.4 44.7 19.0 65.9 215 220 A G 0 0 81 -2,-0.3 -1,-0.2 1,-0.0 -5,-0.0 0.950 360.0 360.0 70.7 54.7 47.5 18.6 63.3 216 221 A L 0 0 69 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.0 0.670 360.0 360.0-122.5 360.0 49.5 21.8 63.8 217 ! 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 0.0 218 229 A K > 0 0 170 0, 0.0 4,-2.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -25.0 53.3 23.3 68.9 219 230 A Y H > + 0 0 66 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.859 360.0 52.0 -51.7 -44.6 51.9 23.6 72.5 220 231 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.887 112.6 47.4 -61.0 -38.8 51.9 27.4 72.3 221 232 A R H > S+ 0 0 145 -3,-0.4 4,-3.5 2,-0.2 5,-0.3 0.973 109.5 50.4 -66.5 -54.9 49.9 27.1 69.1 222 233 A I H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.898 110.4 52.9 -48.9 -43.5 47.4 24.6 70.4 223 234 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.947 114.4 41.1 -56.1 -53.1 46.9 26.9 73.4 224 235 A E H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 115.4 48.2 -62.1 -53.2 46.2 29.8 71.0 225 236 A K H X S+ 0 0 91 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.915 113.4 49.7 -56.4 -44.0 44.0 27.9 68.5 226 237 A K H < S+ 0 0 1 -4,-3.0 3,-0.4 -5,-0.3 -2,-0.2 0.913 114.7 42.8 -62.7 -43.2 42.0 26.4 71.4 227 238 A M H < S+ 0 0 11 -4,-2.3 347,-0.8 -5,-0.2 -1,-0.2 0.761 114.8 52.3 -74.8 -23.4 41.5 29.8 73.0 228 239 A S H < S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.610 90.9 81.6 -84.8 -21.5 40.8 31.3 69.6 229 240 A T S < S- 0 0 19 -4,-1.3 -1,-0.1 -3,-0.4 5,-0.1 -0.777 79.2-141.2 -90.8 96.3 38.1 28.8 68.6 230 241 A P >> - 0 0 38 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.223 16.5-118.9 -58.9 143.9 34.8 29.9 70.2 231 242 A I H >> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.938 111.6 55.0 -45.1 -59.4 32.6 27.2 71.6 232 243 A E H 34 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.2 11,-0.1 0.750 110.8 46.7 -50.5 -29.6 29.6 28.0 69.4 233 244 A V H X4 S+ 0 0 83 -3,-1.0 3,-0.8 2,-0.2 -1,-0.3 0.867 112.1 50.7 -80.1 -39.8 31.9 27.7 66.3 234 245 A L H << S+ 0 0 14 -4,-2.2 -2,-0.2 -3,-0.6 -3,-0.2 0.939 114.9 41.3 -61.1 -50.3 33.4 24.4 67.6 235 246 A C T >< S+ 0 0 6 -4,-2.6 3,-1.7 -5,-0.1 -1,-0.2 0.275 86.4 145.8 -85.0 12.7 30.0 22.7 68.3 236 247 A K T < + 0 0 143 -3,-0.8 -3,-0.1 -5,-0.3 -4,-0.0 -0.243 66.5 16.5 -57.0 125.0 28.6 24.1 65.0 237 248 A G T 3 S+ 0 0 76 1,-0.4 -1,-0.3 -2,-0.0 -4,-0.0 0.545 109.4 95.3 88.2 9.5 26.1 21.8 63.3 238 249 A Y S < S- 0 0 84 -3,-1.7 -1,-0.4 1,-0.1 5,-0.1 -0.861 89.3 -69.5-128.8 160.9 25.5 19.7 66.4 239 250 A P >> - 0 0 34 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.221 44.1-121.9 -51.1 132.6 22.9 19.7 69.3 240 251 A S H 3> S+ 0 0 79 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.600 102.7 81.9 -53.0 -14.7 23.3 22.7 71.5 241 252 A E H 3> S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.833 88.0 53.7 -64.1 -29.5 23.8 20.4 74.5 242 253 A F H <> S+ 0 0 3 -3,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.960 112.2 42.4 -70.6 -43.6 27.5 20.0 73.5 243 254 A A H X S+ 0 0 12 -4,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.854 115.4 50.4 -70.2 -33.4 28.1 23.7 73.6 244 255 A T H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.859 109.0 52.9 -69.9 -37.6 26.0 24.1 76.7 245 256 A Y H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.970 112.6 43.2 -59.5 -55.5 28.0 21.3 78.3 246 257 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.879 113.7 50.4 -58.6 -45.0 31.4 23.0 77.5 247 258 A N H X S+ 0 0 28 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.936 108.4 52.9 -61.2 -45.6 30.2 26.4 78.5 248 259 A F H X S+ 0 0 54 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.933 111.5 47.1 -54.9 -47.6 28.9 25.1 81.8 249 260 A C H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.928 108.6 51.6 -60.7 -48.2 32.4 23.5 82.4 250 261 A R H 3< S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 108.4 59.2 -60.8 -23.2 34.3 26.7 81.5 251 262 A S H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.625 78.5 106.1 -79.7 -22.4 32.0 28.4 84.0 252 263 A L S << S- 0 0 9 -3,-1.4 2,-0.3 -4,-0.6 3,-0.0 -0.314 70.5-124.0 -61.7 146.0 32.8 26.4 87.1 253 264 A R > - 0 0 32 1,-0.1 3,-2.5 4,-0.1 -60,-0.2 -0.676 34.0 -98.8 -87.0 152.8 34.9 28.1 89.8 254 265 A F T 3 S+ 0 0 13 1,-0.3 -61,-0.4 -2,-0.3 -62,-0.2 0.841 121.6 27.8 -37.2 -57.5 38.2 26.4 90.8 255 266 A D T 3 S+ 0 0 81 -64,-0.1 -1,-0.3 -63,-0.1 -91,-0.1 0.276 91.2 125.1 -97.4 14.9 36.7 24.8 93.9 256 267 A D < - 0 0 40 -3,-2.5 -63,-0.2 1,-0.1 -64,-0.1 -0.351 62.2-125.4 -67.1 152.9 33.1 24.5 92.8 257 268 A K - 0 0 146 -65,-0.1 2,-0.1 -64,-0.0 -4,-0.1 -0.892 33.0-122.3 -98.6 125.5 31.5 21.1 93.0 258 269 A P - 0 0 5 0, 0.0 2,-1.4 0, 0.0 3,-0.2 -0.379 11.1-120.0 -71.8 153.4 30.0 20.2 89.6 259 270 A D > + 0 0 85 1,-0.2 4,-1.9 -2,-0.1 5,-0.1 -0.723 37.1 174.0 -90.4 85.4 26.4 19.4 89.0 260 271 A Y H > S+ 0 0 10 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.889 75.5 55.6 -63.8 -37.4 26.9 16.0 87.6 261 272 A S H > S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.914 107.2 50.3 -60.9 -43.8 23.2 15.2 87.5 262 273 A Y H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 110.2 49.6 -60.6 -44.8 22.6 18.3 85.3 263 274 A L H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.879 115.0 42.7 -63.5 -41.7 25.4 17.3 82.9 264 275 A R H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 111.2 58.5 -70.3 -38.1 24.0 13.8 82.5 265 276 A Q H X S+ 0 0 102 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.880 98.2 58.2 -56.7 -46.0 20.5 15.2 82.3 266 277 A L H X S+ 0 0 22 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.941 112.6 39.2 -50.4 -53.0 21.3 17.4 79.3 267 278 A F H X S+ 0 0 3 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.881 113.8 54.1 -69.8 -37.5 22.3 14.4 77.2 268 279 A R H X S+ 0 0 108 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.957 108.2 48.7 -63.6 -47.1 19.5 12.1 78.5 269 280 A N H X S+ 0 0 71 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.883 113.4 47.9 -58.6 -38.8 16.8 14.6 77.6 270 281 A L H X S+ 0 0 1 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.862 108.4 56.5 -68.1 -35.4 18.3 15.0 74.1 271 282 A F H >X>S+ 0 0 8 -4,-2.3 3,-1.5 2,-0.2 5,-1.4 0.989 111.0 41.4 -57.7 -63.0 18.5 11.2 73.9 272 283 A H H ><5S+ 0 0 127 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.894 110.8 57.0 -53.4 -46.4 14.8 10.7 74.5 273 284 A R H 3<5S+ 0 0 154 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.754 105.6 52.5 -58.2 -26.8 13.9 13.7 72.2 274 285 A Q H <<5S- 0 0 90 -3,-1.5 -1,-0.3 -4,-1.2 -2,-0.2 0.560 115.4-118.1 -84.5 -14.4 15.8 11.9 69.5 275 286 A G T <<5 + 0 0 66 -3,-2.0 -3,-0.2 -4,-0.6 2,-0.1 0.647 59.9 151.5 86.4 16.8 13.8 8.7 70.0 276 287 A F < - 0 0 55 -5,-1.4 2,-0.4 1,-0.0 -1,-0.2 -0.463 37.8-135.3 -79.3 153.8 16.7 6.5 71.0 277 288 A S - 0 0 78 -2,-0.1 2,-2.4 2,-0.0 -1,-0.0 -0.887 18.5-118.9-112.0 144.2 16.3 3.5 73.3 278 289 A Y + 0 0 86 -2,-0.4 2,-0.3 2,-0.1 -2,-0.0 -0.283 68.3 128.1 -78.4 52.7 18.6 2.7 76.1 279 290 A D S S- 0 0 64 -2,-2.4 2,-0.5 2,-0.1 -2,-0.0 -0.616 70.8-117.6 -91.3 163.9 19.7 -0.6 74.8 280 291 A Y + 0 0 93 -2,-0.3 2,-0.9 2,-0.0 -2,-0.1 -0.366 62.8 141.9-104.9 57.1 23.5 -0.8 74.7 281 292 A V - 0 0 48 -2,-0.5 2,-0.1 4,-0.0 -2,-0.1 -0.859 30.9-172.9 -96.8 101.2 23.7 -1.2 70.9 282 293 A F >> - 0 0 0 -2,-0.9 4,-1.5 1,-0.1 3,-1.1 -0.435 40.0 -97.7 -91.0 170.5 26.7 0.8 69.9 283 294 A D H 3> S+ 0 0 8 1,-0.3 4,-1.3 2,-0.2 10,-0.1 0.838 122.9 55.8 -54.2 -38.6 28.1 1.7 66.5 284 295 A W H 34 S+ 0 0 34 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.764 103.5 54.1 -67.0 -27.1 30.6 -1.2 66.7 285 296 A N H <4 S+ 0 0 69 -3,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.858 111.2 46.8 -74.3 -31.1 27.8 -3.7 67.3 286 297 A M H ><>S+ 0 0 83 -4,-1.5 3,-1.8 1,-0.2 5,-0.9 0.705 93.1 78.8 -80.9 -25.9 26.1 -2.4 64.2 287 298 A L G ><5S+ 0 0 47 -4,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.781 78.9 68.9 -56.2 -31.1 29.2 -2.5 62.0 288 299 A K G 3 5S+ 0 0 160 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.697 103.0 46.4 -64.1 -16.6 29.0 -6.3 61.5 289 300 A F G < 5S- 0 0 150 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.471 136.4 -73.5-101.4 -10.5 25.8 -5.7 59.4 290 301 A G T < 5S+ 0 0 56 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.041 100.4 45.7 146.8 -35.7 27.2 -2.8 57.3 291 302 A A < - 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0 0 20 -5,-2.5 -19,-0.2 -19,-0.2 -1,-0.2 -0.778 55.5 -97.6 -95.7 138.4 40.5 55.9 108.8 483 194 B E - 0 0 15 -21,-3.1 2,-0.2 -2,-0.4 -1,-0.1 -0.211 46.6-114.6 -49.7 137.8 42.9 52.9 108.9 484 195 B Q + 0 0 9 3,-0.1 2,-0.2 -6,-0.1 -1,-0.1 -0.480 39.6 165.6 -83.9 149.3 42.5 50.7 105.9 485 196 B S >> - 0 0 1 -2,-0.2 3,-1.0 -27,-0.0 4,-0.9 -0.807 56.5 -67.7-143.5-173.4 41.3 47.1 105.9 486 197 B R H 3> S+ 0 0 12 62,-0.3 4,-1.5 1,-0.2 3,-0.2 0.786 124.8 63.1 -55.3 -31.0 40.0 44.5 103.4 487 198 B R H 3> S+ 0 0 26 61,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.925 98.4 58.3 -59.7 -41.4 36.8 46.4 102.7 488 199 B D H <> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.851 101.8 50.3 -58.0 -43.7 38.9 49.2 101.3 489 200 B D H X S+ 0 0 1 -4,-0.9 4,-1.6 -3,-0.2 -1,-0.2 0.927 114.8 45.8 -62.9 -43.2 40.7 47.2 98.6 490 201 B L H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.910 109.8 53.2 -68.6 -37.8 37.3 45.9 97.4 491 202 B E H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 3,-0.2 0.933 110.0 48.3 -61.7 -45.4 35.6 49.3 97.5 492 203 B S H X S+ 0 0 8 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.842 107.1 55.6 -62.9 -35.9 38.4 50.8 95.3 493 204 B L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.855 101.9 60.2 -65.6 -30.6 38.0 47.9 92.9 494 205 B G H X S+ 0 0 3 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.922 105.3 45.5 -60.8 -46.9 34.4 49.0 92.8 495 206 B Y H X S+ 0 0 0 -4,-1.5 4,-2.9 -22,-0.2 -1,-0.2 0.847 109.4 56.1 -66.0 -33.9 35.4 52.3 91.5 496 207 B V H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.877 109.5 46.6 -65.8 -38.5 37.8 50.7 89.0 497 208 B L H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 3,-0.2 0.962 114.8 44.9 -68.7 -49.3 34.9 48.6 87.6 498 209 B M H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.936 110.0 56.0 -58.4 -45.5 32.6 51.6 87.3 499 210 B Y H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.855 106.2 51.6 -52.3 -39.5 35.4 53.7 85.8 500 211 B F H < S+ 0 0 0 -4,-1.4 -106,-0.9 -3,-0.2 -1,-0.3 0.907 115.1 42.4 -66.6 -39.5 35.6 50.9 83.2 501 212 B N H < S+ 0 0 25 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.971 123.2 34.2 -67.6 -61.5 31.9 51.2 82.5 502 213 B L H < S- 0 0 58 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.820 96.7-129.7 -65.9 -38.6 31.5 55.0 82.6 503 214 B G S < S+ 0 0 15 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.1 0.386 83.2 14.2 97.6 -1.2 34.9 55.9 81.0 504 215 B S S S- 0 0 56 -6,-0.2 -2,-0.2 -5,-0.1 -1,-0.2 -0.948 80.0-109.1-178.3-176.1 35.5 58.4 83.9 505 216 B L > - 0 0 7 -2,-0.3 3,-1.2 1,-0.1 15,-0.0 -0.938 23.5-114.0-137.7 157.2 34.3 59.4 87.3 506 217 B P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.906 118.2 44.2 -52.2 -49.4 32.4 62.3 88.9 507 218 B W T 3 S+ 0 0 5 -35,-0.1 2,-0.7 9,-0.1 3,-0.4 0.479 93.7 104.7 -78.6 0.9 35.3 63.4 91.1 508 219 B Q S < S+ 0 0 51 -3,-1.2 -3,-0.1 1,-0.2 -1,-0.0 -0.728 78.5 21.8 -90.7 112.8 37.6 63.0 88.1 509 220 B G 0 0 79 -2,-0.7 -1,-0.2 -5,-0.0 -2,-0.0 0.867 360.0 360.0 100.2 53.3 38.6 66.3 86.5 510 221 B L 0 0 124 -3,-0.4 -2,-0.1 0, 0.0 -3,-0.0 0.591 360.0 360.0-114.7 360.0 38.2 69.0 89.1 511 ! 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 0.0 512 229 B K >> 0 0 194 0, 0.0 3,-2.4 0, 0.0 4,-1.4 0.000 360.0 360.0 360.0 -89.1 42.4 68.9 94.7 513 230 B Y H 3> + 0 0 103 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.741 360.0 52.9 -35.4 -50.2 41.9 65.9 97.0 514 231 B E H 3> S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.815 107.1 53.4 -62.6 -30.4 39.2 67.5 99.2 515 232 B R H <> S+ 0 0 148 -3,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.913 108.0 51.0 -66.6 -44.6 37.2 68.3 96.0 516 233 B I H X S+ 0 0 12 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.928 109.6 49.5 -58.3 -48.3 37.4 64.7 95.1 517 234 B S H X S+ 0 0 11 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.936 108.7 54.5 -56.7 -48.3 36.2 63.7 98.5 518 235 B E H X S+ 0 0 96 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 112.3 41.5 -51.2 -56.3 33.3 66.1 98.2 519 236 B K H >X S+ 0 0 91 -4,-2.5 4,-0.7 2,-0.2 3,-0.6 0.985 114.7 50.3 -55.3 -63.8 32.1 64.6 94.9 520 237 B K H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.841 116.0 42.7 -42.5 -48.6 32.6 61.0 95.9 521 238 B M H 3< S+ 0 0 113 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.836 117.2 46.2 -70.4 -34.8 30.6 61.6 99.1 522 239 B S H << S+ 0 0 97 -4,-2.4 -1,-0.2 -3,-0.6 -2,-0.2 0.273 95.8 87.0 -92.4 8.7 27.9 63.7 97.4 523 240 B T S << S- 0 0 17 -3,-0.8 -1,-0.1 -4,-0.7 -16,-0.0 -0.930 76.8-136.0-113.8 107.9 27.5 61.2 94.5 524 241 B P > - 0 0 69 0, 0.0 4,-3.5 0, 0.0 3,-0.2 -0.302 14.3-126.0 -61.9 142.9 25.0 58.4 95.3 525 242 B I H > S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.846 114.2 55.5 -58.2 -31.7 25.8 54.9 94.3 526 243 B E H 4 S+ 0 0 120 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.915 111.7 41.3 -66.6 -43.7 22.5 54.8 92.5 527 244 B V H >4 S+ 0 0 88 -3,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.953 114.1 53.7 -67.9 -47.0 23.5 57.9 90.5 528 245 B L H 3< S+ 0 0 7 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.906 119.7 32.3 -51.9 -52.0 27.1 56.6 90.0 529 246 B C T >< S+ 0 0 7 -4,-2.6 3,-2.1 -5,-0.2 2,-0.4 0.274 85.0 141.5 -92.1 10.0 25.9 53.3 88.6 530 247 B K T < S+ 0 0 165 -3,-1.4 -3,-0.1 1,-0.3 -4,-0.0 -0.365 70.9 22.7 -60.8 113.3 22.7 54.7 86.9 531 248 B G T 3 S+ 0 0 71 1,-0.4 -1,-0.3 -2,-0.4 -4,-0.1 0.374 106.4 90.1 112.6 -1.1 22.3 52.9 83.6 532 249 B Y S < S- 0 0 80 -3,-2.1 -1,-0.4 1,-0.1 5,-0.2 -0.887 92.8 -69.6-125.6 156.0 24.3 49.7 84.3 533 250 B P > - 0 0 35 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.142 47.1-122.4 -44.7 128.8 23.3 46.3 85.8 534 251 B S T 3> S+ 0 0 81 1,-0.3 4,-3.1 2,-0.2 3,-0.2 0.591 100.0 87.2 -51.9 -15.6 22.5 46.8 89.4 535 252 B E H 3> S+ 0 0 18 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.910 84.7 55.1 -53.7 -40.4 25.2 44.3 90.3 536 253 B F H <> S+ 0 0 4 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.904 110.8 44.2 -61.0 -39.3 27.7 47.1 90.3 537 254 B A H > S+ 0 0 8 -4,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.924 112.5 52.3 -69.8 -44.7 25.6 49.0 92.9 538 255 B T H X S+ 0 0 44 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.912 109.1 51.7 -55.0 -44.2 25.1 45.8 94.8 539 256 B Y H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.950 113.5 41.4 -58.7 -54.6 28.9 45.3 94.9 540 257 B L H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.830 112.5 54.3 -64.0 -39.0 29.6 48.8 96.2 541 258 B N H X S+ 0 0 74 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.915 110.4 47.6 -62.5 -42.9 26.8 48.7 98.7 542 259 B F H >X S+ 0 0 49 -4,-2.3 4,-0.8 -5,-0.2 3,-0.6 0.935 113.3 47.4 -63.1 -48.8 28.2 45.5 100.1 543 260 B C H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.948 112.6 48.1 -58.9 -49.0 31.7 46.8 100.3 544 261 B R H 3< S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.637 110.5 54.5 -68.2 -13.6 30.6 50.1 102.0 545 262 B S H << S+ 0 0 76 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.582 84.8 103.6 -94.1 -15.5 28.6 48.1 104.4 546 263 B L S << S- 0 0 13 -3,-1.2 2,-0.3 -4,-0.8 -3,-0.0 -0.214 70.9-123.4 -62.1 158.4 31.4 45.8 105.6 547 264 B R > - 0 0 169 1,-0.1 3,-1.7 4,-0.0 -60,-0.2 -0.694 29.7 -95.8-102.4 161.6 32.9 46.5 109.0 548 265 B F T 3 S+ 0 0 21 1,-0.3 -61,-0.4 -2,-0.3 -62,-0.3 0.879 123.3 28.9 -39.4 -62.6 36.6 47.3 109.7 549 266 B D T 3 S+ 0 0 99 -64,-0.1 -1,-0.3 -63,-0.1 -91,-0.1 0.329 91.3 136.0 -87.9 9.1 37.7 43.7 110.6 550 267 B D < - 0 0 32 -3,-1.7 -63,-0.2 1,-0.1 -64,-0.1 -0.313 55.8-133.6 -60.8 134.9 35.0 42.0 108.5 551 268 B K - 0 0 133 -65,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.818 32.8-130.6 -87.5 109.9 36.2 39.0 106.4 552 269 B P - 0 0 0 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.291 7.2-122.6 -64.0 153.2 34.6 39.8 103.0 553 270 B D > + 0 0 82 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.738 35.4 173.3 -96.6 85.7 32.6 37.3 101.1 554 271 B Y H > S+ 0 0 6 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.898 75.6 57.9 -59.0 -44.6 34.7 37.2 97.9 555 272 B S H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.922 105.6 49.9 -50.6 -51.5 32.6 34.3 96.6 556 273 B Y H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 109.3 49.5 -54.4 -55.7 29.4 36.2 96.9 557 274 B L H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.804 113.1 48.5 -56.8 -30.3 30.8 39.3 95.0 558 275 B R H X S+ 0 0 25 -4,-1.9 4,-2.1 -3,-0.2 -1,-0.2 0.887 105.3 58.5 -77.9 -35.0 32.0 36.9 92.3 559 276 B Q H X S+ 0 0 62 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.919 99.6 58.9 -58.2 -45.9 28.6 35.2 92.1 560 277 B L H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.3 3,-0.3 0.944 111.1 39.4 -46.3 -60.6 27.0 38.5 91.3 561 278 B F H X S+ 0 0 4 -4,-1.1 4,-1.9 1,-0.2 -1,-0.3 0.764 114.5 53.8 -65.6 -26.9 29.1 39.0 88.2 562 279 B R H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.874 108.3 50.5 -75.2 -32.6 28.9 35.3 87.3 563 280 B N H X S+ 0 0 73 -4,-3.0 4,-3.1 -3,-0.3 -2,-0.2 0.927 113.7 44.3 -66.7 -48.4 25.0 35.6 87.5 564 281 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 6,-0.2 0.864 110.7 54.1 -63.9 -39.1 25.0 38.6 85.2 565 282 B F H <>S+ 0 0 4 -4,-1.9 5,-1.8 -5,-0.2 4,-0.2 0.912 114.1 43.7 -61.7 -43.1 27.5 37.1 82.8 566 283 B H H ><5S+ 0 0 146 -4,-2.0 3,-2.5 3,-0.2 -2,-0.2 0.970 111.1 51.7 -66.5 -55.0 25.2 34.1 82.5 567 284 B R H 3<5S+ 0 0 149 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.848 104.6 57.0 -52.4 -39.5 22.0 36.0 82.2 568 285 B Q T 3<5S- 0 0 88 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.624 113.4-122.2 -67.4 -13.3 23.3 38.2 79.4 569 286 B G T < 5 + 0 0 61 -3,-2.5 -3,-0.2 -4,-0.2 -2,-0.1 0.744 53.3 162.2 78.5 22.9 24.0 34.9 77.6 570 287 B F < - 0 0 55 -5,-1.8 2,-0.2 -6,-0.2 -1,-0.2 -0.467 29.8-136.7 -74.2 148.8 27.7 35.5 77.2 571 288 B S - 0 0 22 -2,-0.1 2,-1.5 -321,-0.0 -1,-0.1 -0.654 22.3-102.3-103.8 162.0 29.8 32.5 76.4 572 289 B Y + 0 0 44 -2,-0.2 2,-0.3 2,-0.1 -341,-0.1 -0.567 65.1 135.2 -89.5 76.4 33.2 31.6 78.0 573 290 B D - 0 0 29 -2,-1.5 -345,-0.1 2,-0.1 2,-0.1 -0.780 57.5-128.0-111.7 160.6 35.7 32.6 75.3 574 291 B Y + 0 0 52 -347,-0.8 2,-0.6 -2,-0.3 -2,-0.1 -0.310 67.1 122.0-105.1 47.6 39.0 34.4 76.1 575 292 B V - 0 0 45 -2,-0.1 2,-0.2 5,-0.0 -2,-0.1 -0.958 41.6-170.9-112.0 118.2 38.4 37.2 73.5 576 293 B F >> - 0 0 0 -2,-0.6 3,-1.5 1,-0.0 4,-0.7 -0.535 40.2 -92.0-102.9 175.3 38.4 40.7 74.9 577 294 B D G >4 S+ 0 0 13 1,-0.3 3,-2.1 2,-0.2 -1,-0.0 0.915 122.9 57.2 -50.0 -52.2 37.5 44.0 73.4 578 295 B W G >4 S+ 0 0 30 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.684 100.9 58.1 -55.8 -22.0 41.1 44.7 72.4 579 296 B N G <4 S+ 0 0 90 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.681 99.9 58.7 -82.4 -19.3 41.2 41.5 70.3 580 297 B M G << 0 0 127 -3,-2.1 -1,-0.2 -4,-0.7 -2,-0.1 -0.258 360.0 360.0-103.3 44.3 38.3 42.7 68.2 581 298 B L < 0 0 119 -3,-0.6 -1,-0.2 -2,-0.0 -2,-0.1 0.594 360.0 360.0-117.4 360.0 39.9 45.9 67.0