==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUN-06 2IWI . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PIM-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.RUSSO,J.E.DEBRECZENI,A.AMOS,A.N.BULLOCK,O.FEDOROV,F.NIESEN . 493 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 6 0 2 0 4 0 0 0 0 0 0 0 2 0 0 2 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 . 2 2 3 3 2 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 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 32 A Y 0 0 93 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 151.1 -25.1 60.7 0.7 2 33 A R E -A 19 0A 67 17,-2.6 17,-2.3 0, 0.0 2,-0.1 -0.982 360.0-147.3-122.1 115.5 -24.6 59.0 -2.6 3 34 A L E +A 18 0A 93 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.336 24.2 170.7 -72.7 163.4 -21.3 57.1 -3.1 4 35 A G E - 0 0 34 13,-2.6 14,-0.1 1,-0.3 -1,-0.1 -0.327 39.3 -5.6-143.8-136.6 -19.8 57.0 -6.5 5 36 A P E S- 0 0 95 0, 0.0 12,-3.0 0, 0.0 -1,-0.3 -0.409 71.7-104.0 -74.8 149.5 -16.6 55.8 -8.3 6 37 A L E -A 16 0A 89 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.254 29.4-175.1 -65.1 155.7 -13.6 54.5 -6.3 7 38 A L E - 0 0 107 8,-1.9 2,-0.3 1,-0.4 9,-0.2 0.654 63.9 -18.9-116.1 -51.2 -10.6 56.8 -5.9 8 39 A G E -A 15 0A 28 7,-1.3 7,-1.9 2,-0.0 -1,-0.4 -0.985 53.5-153.3-157.3 153.4 -8.0 54.6 -4.1 9 40 A K E +A 14 0A 75 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.817 36.4 96.1-121.1 163.1 -7.8 51.4 -2.0 10 41 A G E > S-A 13 0A 15 3,-1.2 3,-1.7 -2,-0.3 397,-0.2 -0.953 82.1 -40.4 153.5-166.7 -5.3 50.2 0.6 11 42 A G T 3 S+ 0 0 67 395,-1.1 3,-0.1 1,-0.3 -1,-0.1 0.752 122.2 68.7 -63.7 -26.2 -4.5 49.8 4.3 12 43 A F T 3 S- 0 0 64 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.372 117.6-110.4 -67.3 3.4 -5.8 53.3 4.9 13 44 A G E < -A 10 0A 6 -3,-1.7 -3,-1.2 19,-0.1 2,-0.4 -0.797 50.1 -53.6 98.3-144.1 -9.3 51.7 4.1 14 45 A T E -AB 9 31A 45 17,-1.9 17,-3.3 -2,-0.3 2,-0.7 -0.947 42.1-155.9-143.7 119.8 -11.1 52.6 0.9 15 46 A V E -AB 8 30A 35 -7,-1.9 -8,-1.9 -2,-0.4 -7,-1.3 -0.855 13.3-172.6-104.7 113.0 -12.0 56.1 -0.3 16 47 A F E -AB 6 29A 60 13,-2.9 13,-3.1 -2,-0.7 -10,-0.2 -0.742 23.7-122.5 -97.1 145.9 -15.0 56.5 -2.7 17 48 A A E + B 0 28A 14 -12,-3.0 -13,-2.6 -2,-0.3 2,-0.3 -0.502 49.1 141.6 -75.5 157.9 -16.0 59.7 -4.5 18 49 A G E -AB 3 27A 12 9,-1.7 9,-2.3 -15,-0.3 2,-0.3 -0.969 36.2-119.2-176.1-176.0 -19.6 60.8 -3.8 19 50 A H E -AB 2 26A 22 -17,-2.3 -17,-2.6 -2,-0.3 2,-0.5 -0.980 24.4-108.3-146.6 158.2 -21.9 63.6 -3.1 20 51 A R > - 0 0 75 5,-2.3 4,-1.7 -2,-0.3 5,-0.4 -0.781 29.9-140.7 -86.6 124.4 -24.3 65.1 -0.6 21 52 A L T 4 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 3,-0.0 0.880 92.0 48.6 -55.0 -47.2 -27.9 64.6 -1.8 22 53 A T T 4 S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.950 127.4 17.5 -63.2 -58.0 -29.3 68.0 -0.6 23 54 A D T 4 S- 0 0 83 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.363 95.6-123.7 -99.6 2.0 -26.8 70.5 -2.0 24 55 A R < + 0 0 103 -4,-1.7 2,-0.2 1,-0.2 -3,-0.1 0.761 50.3 167.8 56.5 29.5 -25.0 68.3 -4.5 25 56 A L - 0 0 73 -5,-0.4 -5,-2.3 1,-0.1 2,-0.5 -0.521 39.1-117.3 -73.7 138.6 -21.6 69.0 -2.8 26 57 A Q E +B 19 0A 92 -7,-0.2 50,-1.2 -2,-0.2 -7,-0.3 -0.669 45.6 167.9 -79.7 120.4 -18.7 66.7 -3.9 27 58 A V E -BC 18 75A 0 -9,-2.3 -9,-1.7 -2,-0.5 2,-0.4 -0.755 32.4-126.6-126.5 171.5 -17.4 64.7 -0.9 28 59 A A E -BC 17 74A 11 46,-2.8 46,-3.4 -2,-0.2 2,-0.7 -0.991 15.1-153.5-120.8 131.3 -15.1 61.7 -0.3 29 60 A I E -BC 16 73A 5 -13,-3.1 -13,-2.9 -2,-0.4 2,-0.6 -0.908 8.3-162.6-109.5 105.9 -16.4 58.7 1.7 30 61 A K E -BC 15 72A 12 42,-2.9 42,-3.1 -2,-0.7 2,-0.6 -0.804 7.9-154.8 -90.2 120.3 -13.5 56.9 3.4 31 62 A V E -BC 14 71A 52 -17,-3.3 -17,-1.9 -2,-0.6 40,-0.2 -0.867 12.1-175.0-103.4 122.0 -14.6 53.4 4.5 32 63 A I - 0 0 25 38,-2.7 5,-0.1 -2,-0.6 -19,-0.1 -0.966 21.0-129.6-119.1 125.8 -12.7 51.8 7.4 33 64 A P - 0 0 67 0, 0.0 38,-0.0 0, 0.0 0, 0.0 -0.275 19.8-127.5 -57.8 156.8 -13.2 48.2 8.7 34 65 A R S > S+ 0 0 187 1,-0.1 4,-0.6 3,-0.1 3,-0.5 0.993 102.0 22.9 -73.3 -67.7 -13.8 47.7 12.5 35 66 A N T 4 S+ 0 0 171 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.422 118.3 64.9 -83.8 1.0 -11.1 45.1 13.5 36 67 A R T 4 S+ 0 0 72 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.324 102.3 44.2-118.0 47.4 -8.8 45.9 10.5 37 68 A V T 4 0 0 57 -3,-0.5 -2,-0.1 -5,-0.1 -3,-0.1 0.243 360.0 360.0-142.2 -77.6 -7.9 49.5 11.4 38 69 A L < 0 0 126 -4,-0.6 6,-0.4 105,-0.0 -3,-0.1 -0.040 360.0 360.0 156.9 360.0 -7.1 50.2 15.1 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 78 A V 0 0 152 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.5 -18.2 58.4 23.2 41 79 A T + 0 0 140 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.448 360.0 139.4-114.5 56.5 -16.6 55.4 21.4 42 80 A C - 0 0 39 -2,-0.4 5,-0.1 1,-0.1 25,-0.0 -0.597 63.8 -78.3 -90.8 158.2 -15.8 56.7 17.9 43 81 A P >> - 0 0 33 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.203 39.1-117.6 -52.6 146.3 -12.6 55.9 16.0 44 82 A L H 3> S+ 0 0 86 -6,-0.4 4,-2.8 1,-0.3 5,-0.2 0.932 114.6 61.9 -51.3 -48.5 -9.5 57.9 17.0 45 83 A E H 3> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.834 104.4 47.6 -46.6 -42.6 -9.4 59.4 13.5 46 84 A V H <> S+ 0 0 5 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.952 110.7 51.0 -65.6 -49.1 -12.8 60.9 14.0 47 85 A A H X S+ 0 0 38 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.906 113.9 45.9 -52.0 -45.0 -11.8 62.3 17.4 48 86 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-0.2 0.958 110.0 50.7 -66.5 -53.6 -8.7 63.8 15.8 49 87 A L H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 15,-0.3 0.811 109.3 52.6 -57.7 -32.4 -10.4 65.4 12.7 50 88 A W H X S+ 0 0 131 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.901 110.2 47.2 -70.3 -40.4 -13.0 67.0 14.9 51 89 A K H >< S+ 0 0 93 -4,-1.6 3,-0.6 -3,-0.2 -2,-0.2 0.935 117.9 43.1 -63.1 -45.5 -10.4 68.6 17.1 52 90 A V H 3< S+ 0 0 0 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.892 115.6 48.7 -64.3 -43.6 -8.5 69.7 14.0 53 91 A G H 3< S+ 0 0 20 -4,-2.9 -1,-0.2 -5,-0.2 4,-0.2 0.451 80.2 122.8 -81.3 -2.1 -11.7 70.8 12.2 54 92 A A S << S- 0 0 45 -4,-0.8 2,-2.1 -3,-0.6 -3,-0.0 -0.355 90.8 -8.1 -61.0 140.6 -13.0 72.9 15.2 55 93 A G S S- 0 0 95 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.512 136.6 -35.9 67.7 -82.6 -13.6 76.5 14.1 56 94 A G - 0 0 39 -2,-2.1 -2,-0.1 -4,-0.2 -3,-0.0 -0.907 68.6 -94.4-170.6 146.4 -12.0 75.9 10.7 57 95 A G - 0 0 15 -2,-0.3 -4,-0.1 -4,-0.2 5,-0.1 0.127 42.3-100.0 -62.9 178.6 -9.1 73.9 9.3 58 96 A H - 0 0 24 1,-0.2 -1,-0.1 4,-0.1 53,-0.1 0.265 60.3-119.9 -75.3 2.5 -5.5 75.2 8.7 59 97 A P S S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.495 108.8 74.7 -82.7 39.3 -7.1 75.3 5.9 60 98 A G S S+ 0 0 8 44,-0.2 78,-3.7 77,-0.1 2,-0.4 -0.208 83.9 87.5 -98.0 36.9 -4.6 72.9 4.4 61 99 A V B S-e 138 0B 0 76,-0.3 78,-0.2 47,-0.1 -4,-0.1 -0.989 83.6-122.3-134.1 126.5 -6.3 70.2 6.4 62 100 A I - 0 0 6 76,-1.6 2,-0.4 -2,-0.4 -4,-0.1 -0.401 29.6-131.0 -67.7 144.1 -9.3 68.3 5.0 63 101 A R - 0 0 105 -4,-0.1 12,-2.1 -2,-0.1 2,-0.5 -0.793 7.2-126.3-103.1 138.9 -12.4 68.5 7.1 64 102 A L E -D 74 0A 17 -2,-0.4 10,-0.3 -15,-0.3 3,-0.1 -0.742 21.6-173.5 -80.5 125.0 -14.6 65.7 8.3 65 103 A L E - 0 0 33 8,-2.9 2,-0.3 -2,-0.5 9,-0.2 0.789 62.5 -28.1 -88.4 -33.1 -18.2 66.4 7.3 66 104 A D E -D 73 0A 63 7,-1.7 7,-2.7 2,-0.0 -1,-0.3 -0.957 53.5-141.1-174.0 160.5 -19.9 63.5 9.0 67 105 A W E D 72 0A 93 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.996 360.0 360.0-140.7 148.8 -19.3 59.9 10.2 68 106 A F 0 0 129 3,-2.2 3,-2.4 -2,-0.3 -2,-0.0 -0.891 360.0 360.0-138.7 360.0 -21.5 56.8 10.2 69 ! 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 70 112 A F 0 0 68 0, 0.0 -38,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.2 -17.2 52.9 9.7 71 113 A M E -C 31 0A 28 -3,-2.4 -3,-2.2 -40,-0.2 2,-0.6 -0.959 360.0-164.5-131.2 113.0 -17.8 55.5 7.0 72 114 A L E -CD 30 67A 4 -42,-3.1 -42,-2.9 -2,-0.4 2,-0.7 -0.872 7.3-154.3-101.7 115.9 -16.2 59.0 7.2 73 115 A V E +CD 29 66A 2 -7,-2.7 -8,-2.9 -2,-0.6 -7,-1.7 -0.825 25.7 171.8 -87.8 113.4 -17.6 61.7 4.8 74 116 A L E -CD 28 64A 20 -46,-3.4 -46,-2.8 -2,-0.7 -10,-0.2 -0.739 39.4 -84.7-116.2 167.0 -14.8 64.2 4.3 75 117 A E E -C 27 0A 23 -12,-2.1 -48,-0.2 -2,-0.2 -1,-0.1 -0.419 38.9-160.1 -70.7 148.1 -14.5 67.2 1.9 76 118 A R - 0 0 35 -50,-1.2 2,-0.1 -2,-0.1 -50,-0.1 -0.940 7.1-146.5-133.7 106.5 -13.3 66.4 -1.6 77 119 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 54,-0.1 -0.504 25.4-119.5 -67.8 144.3 -11.8 69.2 -3.8 78 120 A L S S+ 0 0 66 1,-0.3 2,-0.1 -2,-0.1 52,-0.1 -0.993 98.5 28.6-129.1 123.1 -12.5 68.8 -7.5 79 121 A P S S+ 0 0 66 0, 0.0 52,-1.5 0, 0.0 53,-0.6 0.588 92.2 160.1 -83.6 150.4 -10.3 68.5 -9.3 80 122 A A E +F 130 0B 41 50,-0.2 2,-0.3 51,-0.1 50,-0.2 -0.910 14.4 166.8-132.0 162.0 -7.9 66.9 -6.9 81 123 A Q E -F 129 0B 64 48,-1.4 48,-2.9 -2,-0.3 2,-0.2 -0.898 32.2-116.7-167.9 140.9 -4.7 64.8 -7.0 82 124 A D E >> -F 128 0B 29 -2,-0.3 4,-2.5 46,-0.2 3,-0.7 -0.587 26.7-113.8 -92.0 154.7 -2.1 63.8 -4.4 83 125 A L H 3> S+ 0 0 0 44,-2.3 4,-3.0 41,-0.7 5,-0.3 0.843 113.7 61.1 -52.5 -41.7 1.5 64.9 -4.5 84 126 A F H 3> S+ 0 0 90 40,-0.9 4,-1.7 43,-0.3 -1,-0.3 0.944 112.9 36.5 -50.9 -51.0 2.7 61.4 -5.0 85 127 A D H <> S+ 0 0 73 -3,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.811 113.9 59.7 -75.0 -29.4 0.8 61.2 -8.3 86 128 A Y H >X>S+ 0 0 75 -4,-2.5 4,-3.0 2,-0.2 3,-1.3 0.991 109.4 40.9 -56.4 -63.0 1.6 64.8 -9.1 87 129 A I H 3X5S+ 0 0 12 -4,-3.0 4,-1.6 1,-0.3 -2,-0.2 0.841 110.1 60.3 -54.4 -36.8 5.3 64.2 -9.0 88 130 A T H 3<5S+ 0 0 99 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.773 115.4 33.0 -66.9 -24.9 4.9 60.9 -10.9 89 131 A E H <<5S+ 0 0 88 -3,-1.3 -2,-0.2 -4,-1.2 -1,-0.2 0.815 135.4 24.2 -97.7 -39.5 3.3 62.7 -13.9 90 132 A K H <5S- 0 0 78 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.804 97.2-141.2 -95.4 -37.2 5.2 66.0 -13.8 91 133 A G << + 0 0 19 -4,-1.6 -1,-0.2 -5,-0.5 101,-0.2 -0.584 61.6 4.4 97.5-166.1 8.4 65.0 -12.0 92 134 A P S S- 0 0 77 0, 0.0 98,-0.2 0, 0.0 97,-0.1 -0.103 71.8-130.8 -58.7 149.0 10.2 67.2 -9.4 93 135 A L - 0 0 25 96,-2.2 97,-0.2 1,-0.2 2,-0.1 0.727 35.3-113.0 -75.5 -24.7 8.2 70.4 -8.6 94 136 A G > - 0 0 38 95,-0.3 4,-1.8 96,-0.2 -1,-0.2 -0.186 32.1 -95.1 94.4 156.5 10.9 73.2 -8.9 95 137 A E H > S+ 0 0 37 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.680 121.5 61.1 -83.1 -20.1 11.9 75.1 -5.8 96 138 A G H > S+ 0 0 40 2,-0.2 4,-1.7 3,-0.1 3,-0.3 0.995 114.3 32.6 -61.7 -70.7 9.4 77.9 -6.5 97 139 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.852 116.8 57.5 -49.1 -48.1 6.4 75.6 -6.3 98 140 A S H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.911 106.5 48.7 -54.1 -48.6 8.0 73.3 -3.7 99 141 A R H X S+ 0 0 60 -4,-1.9 4,-1.7 -3,-0.3 -1,-0.3 0.843 110.6 54.6 -51.3 -40.8 8.4 76.3 -1.4 100 142 A C H >X S+ 0 0 62 -4,-1.7 4,-1.6 1,-0.2 3,-0.7 0.994 114.7 35.2 -63.1 -65.1 4.9 77.2 -2.0 101 143 A F H 3X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.816 113.4 61.2 -52.7 -35.9 3.4 73.8 -1.1 102 144 A F H 3X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.807 105.1 44.0 -72.3 -33.9 5.9 73.2 1.7 103 145 A G H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 3,-0.8 0.980 114.2 39.5 -43.0 -68.3 -1.3 72.8 8.2 109 151 A I H 3X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.876 109.1 62.0 -49.9 -47.8 0.7 70.7 10.7 110 152 A Q H 3X S+ 0 0 52 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.877 105.2 47.6 -46.5 -46.1 1.4 73.7 12.9 111 153 A H H S+ 0 0 1 -4,-1.7 5,-2.5 1,-0.3 4,-2.3 0.924 107.0 52.5 -49.7 -48.3 -2.9 70.3 14.3 113 155 A H H <5S+ 0 0 38 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.907 105.8 53.0 -56.8 -43.7 -0.2 70.6 16.9 114 156 A S H <5S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.8 46.8 -58.1 -38.4 -2.1 73.6 18.4 115 157 A R H <5S- 0 0 91 -4,-2.3 -2,-0.2 -3,-0.2 -1,-0.2 0.819 123.3-110.5 -70.5 -31.3 -5.2 71.4 18.5 116 158 A G T <5S+ 0 0 17 -4,-2.3 31,-2.2 1,-0.4 2,-0.3 0.640 75.3 127.3 106.6 25.8 -3.1 68.6 20.0 117 159 A V E < -H 146 0C 0 -5,-2.5 2,-0.4 29,-0.3 -1,-0.4 -0.849 41.7-160.2-113.0 145.7 -3.1 66.3 17.1 118 160 A V E -H 145 0C 1 27,-2.1 27,-1.9 -2,-0.3 -70,-0.0 -0.997 9.1-154.5-123.8 131.8 -0.0 64.7 15.4 119 161 A H - 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0 0 3 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.347 25.4-111.7 -78.0 159.4 8.1 40.3 2.4 417 206 B P H 3> S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.816 116.7 57.8 -65.5 -31.7 10.9 43.0 2.8 418 207 B E H 3> S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 6,-1.1 0.761 106.5 51.0 -67.5 -25.0 9.4 45.2 0.0 419 208 B W H <> S+ 0 0 28 -3,-1.1 4,-2.3 4,-0.2 -1,-0.2 0.946 114.1 41.8 -71.4 -52.2 6.2 45.3 2.1 420 209 B I H < S+ 0 0 2 -4,-1.8 -261,-2.0 1,-0.2 -2,-0.2 0.919 122.0 44.3 -54.5 -43.4 8.0 46.3 5.2 421 210 B S H < S+ 0 0 13 -4,-2.9 -261,-1.5 -263,-0.2 -260,-0.3 0.847 137.1 0.6 -76.0 -40.1 10.1 48.7 3.2 422 211 B R H < S- 0 0 126 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.349 84.2-117.8-134.6 3.2 7.5 50.4 0.9 423 212 B H S < S+ 0 0 51 -4,-2.3 2,-0.3 -5,-0.2 -4,-0.2 0.897 85.7 101.9 44.2 45.0 4.0 49.0 1.7 424 213 B Q + 0 0 41 -6,-1.1 2,-0.3 -18,-0.1 -2,-0.2 -0.970 41.3 160.7-153.3 140.5 4.0 47.7 -2.0 425 214 B Y B -R 405 0H 6 -20,-1.6 -20,-3.0 -2,-0.3 2,-0.2 -0.978 30.2-127.0-159.4 145.9 4.6 44.3 -3.6 426 215 B H > - 0 0 93 -2,-0.3 4,-1.6 -22,-0.2 5,-0.2 -0.595 31.6-115.3 -90.8 159.5 3.9 42.5 -6.9 427 216 B A H > S+ 0 0 5 -26,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.942 104.8 43.0 -62.0 -59.4 2.2 39.1 -6.9 428 217 B L H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.956 116.0 44.1 -57.4 -57.5 4.8 36.7 -8.2 429 218 B P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.843 115.8 49.3 -64.7 -31.8 7.8 38.0 -6.3 430 219 B A H X S+ 0 0 13 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.867 111.2 49.6 -69.5 -39.0 5.8 38.2 -3.1 431 220 B T H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.923 108.5 52.8 -64.2 -43.5 4.5 34.6 -3.7 432 221 B V H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.919 107.1 52.8 -63.3 -42.0 8.0 33.3 -4.2 433 222 B W H X S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.969 108.8 49.7 -49.4 -55.6 9.1 34.9 -0.9 434 223 B S H X S+ 0 0 18 -4,-2.1 4,-3.6 1,-0.3 -2,-0.2 0.885 110.1 49.9 -57.1 -42.8 6.3 33.1 0.8 435 224 B L H X S+ 0 0 0 -4,-2.5 4,-3.7 2,-0.2 -1,-0.3 0.897 109.1 53.6 -58.9 -42.5 7.3 29.8 -0.8 436 225 B G H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.968 112.5 42.7 -53.8 -54.0 10.8 30.6 0.4 437 226 B I H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.927 114.8 52.2 -57.7 -46.1 9.4 31.0 3.9 438 227 B L H X S+ 0 0 2 -4,-3.6 4,-2.3 -5,-0.2 -2,-0.2 0.966 109.1 47.6 -55.2 -58.2 7.3 27.9 3.4 439 228 B L H X S+ 0 0 0 -4,-3.7 4,-2.1 1,-0.3 5,-0.3 0.884 111.4 51.6 -53.1 -43.9 10.1 25.7 2.3 440 229 B Y H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.2 6,-0.4 0.918 109.3 50.6 -59.5 -45.1 12.2 26.9 5.2 441 230 B D H X S+ 0 0 8 -4,-2.6 4,-2.8 -3,-0.2 5,-0.2 0.914 111.0 49.3 -57.9 -46.4 9.4 26.1 7.7 442 231 B M H < S+ 0 0 2 -4,-2.3 -96,-2.1 1,-0.2 -95,-0.3 0.972 120.0 32.8 -58.2 -61.3 9.0 22.6 6.3 443 232 B V H < S+ 0 0 3 -4,-2.1 -1,-0.2 -98,-0.2 -2,-0.2 0.801 129.2 37.9 -71.7 -29.6 12.6 21.5 6.4 444 233 B C H < S- 0 0 21 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.712 99.1-125.4 -97.2 -22.7 13.6 23.5 9.5 445 234 B G S < S+ 0 0 26 -4,-2.8 2,-0.3 -5,-0.3 -4,-0.2 0.578 84.1 42.6 86.6 11.6 10.5 23.2 11.7 446 235 B D S S- 0 0 104 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.1 -0.911 93.2 -83.8-176.2 155.7 9.9 26.9 12.1 447 236 B I - 0 0 21 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.354 34.3-130.0 -70.0 150.7 10.0 30.2 10.1 448 237 B P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.905 79.5 53.0 -71.7 -43.7 13.3 32.0 9.6 449 238 B F + 0 0 3 -36,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.739 38.7 164.0-108.4 144.8 12.6 35.6 10.6 450 239 B E + 0 0 141 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.688 66.9 46.0-114.0 -49.8 11.2 37.2 13.7 451 240 B R S > S- 0 0 79 1,-0.1 4,-1.7 -38,-0.0 3,-0.4 -0.621 80.0-114.7-107.9 162.0 12.1 40.9 13.5 452 241 B D H > S+ 0 0 29 1,-0.2 4,-2.3 -2,-0.2 5,-0.3 0.881 112.3 59.3 -59.1 -45.1 12.0 43.5 10.8 453 242 B Q H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.902 108.0 46.7 -49.6 -46.9 15.8 44.0 10.6 454 243 B E H >>S+ 0 0 45 -3,-0.4 4,-1.8 2,-0.2 5,-1.4 0.866 109.6 52.3 -67.9 -40.3 16.1 40.3 9.7 455 244 B I H <5S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.945 114.5 40.7 -63.8 -49.4 13.4 40.2 7.1 456 245 B L H <5S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.677 120.7 45.6 -75.9 -17.4 14.8 43.2 5.1 457 246 B E H <5S- 0 0 90 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.665 97.3-141.6 -87.4 -21.5 18.3 41.8 5.6 458 247 B A T <5 - 0 0 13 -4,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.812 29.6-177.0 57.5 34.0 17.3 38.2 4.7 459 248 B E < - 0 0 77 -5,-1.4 2,-0.5 -6,-0.2 -1,-0.2 -0.503 3.6-173.2 -68.4 99.8 19.7 37.2 7.5 460 249 B L - 0 0 14 -2,-1.0 2,-0.5 -3,-0.2 -11,-0.0 -0.866 19.0-178.3-104.0 124.7 19.4 33.4 7.2 461 250 B H - 0 0 126 -2,-0.5 -2,-0.0 -13,-0.1 0, 0.0 -0.941 18.4-158.4-117.0 104.6 21.1 31.0 9.7 462 251 B F - 0 0 39 -2,-0.5 2,-0.1 1,-0.1 -2,-0.0 -0.556 17.0-117.3 -81.2 142.6 20.4 27.4 8.6 463 252 B P > - 0 0 52 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.336 36.7 -97.4 -66.1 167.0 20.6 24.5 10.9 464 253 B A T 3 S+ 0 0 111 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.723 115.3 58.4 -60.8 -28.4 23.2 21.8 10.3 465 254 B H T 3 S+ 0 0 116 2,-0.1 2,-0.7 -22,-0.1 -1,-0.2 0.519 73.3 104.7 -88.9 -5.9 20.9 19.3 8.5 466 255 B V S < S- 0 0 8 -3,-1.3 -4,-0.1 1,-0.1 -22,-0.0 -0.666 77.0-122.4 -78.6 115.9 19.7 21.5 5.6 467 256 B S >> - 0 0 28 -2,-0.7 4,-2.3 1,-0.1 3,-0.5 -0.247 15.1-120.9 -55.1 138.1 21.6 20.2 2.6 468 257 B P H 3> S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.884 117.2 58.5 -44.8 -39.9 23.6 22.9 0.8 469 258 B D H 3> S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 27,-0.3 0.901 109.9 43.0 -55.4 -47.1 21.5 22.1 -2.2 470 259 B C H X> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 3,-1.1 0.978 110.9 51.8 -63.3 -63.2 18.4 23.0 -0.2 471 260 B C H 3X S+ 0 0 16 -4,-2.3 4,-3.1 1,-0.3 5,-0.3 0.885 103.7 61.6 -38.9 -50.0 19.7 26.2 1.5 472 261 B A H 3X S+ 0 0 51 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.3 0.890 106.7 43.6 -47.1 -48.4 20.7 27.4 -2.0 473 262 B L H < S+ 0 0 95 -4,-1.8 3,-0.6 -5,-0.3 -1,-0.2 0.937 114.8 41.4 -61.6 -46.8 17.3 32.1 -3.9 477 266 B C H 3< S+ 0 0 0 -4,-2.7 2,-0.7 1,-0.3 -2,-0.2 0.853 110.8 56.1 -73.6 -37.1 13.7 32.6 -2.9 478 267 B L T 3< S+ 0 0 2 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.318 74.2 146.0 -91.8 51.3 14.4 34.8 0.2 479 268 B A < - 0 0 10 -2,-0.7 6,-0.2 -3,-0.6 -21,-0.1 -0.761 48.2-142.3 -83.9 127.8 16.3 37.4 -1.8 480 269 B P S S+ 0 0 57 0, 0.0 -62,-0.2 0, 0.0 -1,-0.1 0.924 89.1 69.2 -54.2 -48.0 15.7 40.9 -0.4 481 270 B K S > S- 0 0 43 1,-0.2 4,-0.7 -3,-0.1 3,-0.2 -0.634 79.9-146.8 -73.4 120.5 15.6 42.4 -3.9 482 271 B P T >4 S+ 0 0 47 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.901 97.4 55.9 -53.3 -46.3 12.4 41.2 -5.6 483 272 B S T 34 S+ 0 0 115 1,-0.2 -2,-0.0 -3,-0.1 -4,-0.0 0.876 100.0 61.7 -52.8 -41.1 14.1 41.1 -9.1 484 273 B S T 34 S+ 0 0 77 -3,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.780 86.5 96.7 -55.5 -31.0 16.8 38.8 -7.7 485 274 B R S << S- 0 0 16 -3,-1.2 -8,-0.2 -4,-0.7 -9,-0.1 -0.296 76.3-117.6 -71.1 147.5 14.2 36.1 -6.8 486 275 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.153 25.2-113.3 -74.3 172.4 13.5 33.2 -9.2 487 276 B S >> - 0 0 36 1,-0.1 4,-2.2 -55,-0.0 3,-0.6 -0.676 30.3-103.0-102.8 164.5 10.2 32.4 -10.9 488 277 B L H 3> S+ 0 0 2 1,-0.3 4,-1.7 -2,-0.2 5,-0.1 0.898 122.5 51.6 -50.8 -49.2 7.9 29.5 -10.3 489 278 B E H 3> S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.843 111.4 48.5 -58.1 -36.4 9.1 27.7 -13.4 490 279 B E H <> S+ 0 0 98 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.804 104.6 58.0 -76.6 -32.7 12.7 28.2 -12.3 491 280 B I H < S+ 0 0 0 -4,-2.2 6,-0.3 2,-0.2 -1,-0.2 0.888 105.4 52.4 -62.2 -36.6 12.0 26.9 -8.8 492 281 B L H < S+ 0 0 54 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 109.9 46.9 -71.1 -36.8 10.8 23.7 -10.5 493 282 B L H < S+ 0 0 135 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.779 84.8 123.3 -69.6 -26.8 14.0 23.4 -12.5 494 283 B D S >X S- 0 0 8 -4,-1.7 3,-1.3 1,-0.1 4,-0.9 -0.050 73.4-120.9 -42.3 129.4 16.2 24.1 -9.4 495 284 B P T 34 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.700 111.8 56.2 -45.0 -31.5 18.7 21.2 -8.7 496 285 B W T 34 S+ 0 0 5 -27,-0.3 -26,-0.1 1,-0.2 -2,-0.1 0.903 100.1 58.0 -70.1 -40.6 17.1 20.5 -5.3 497 286 B M T <4 0 0 20 -3,-1.3 -1,-0.2 -6,-0.3 -3,-0.1 0.769 360.0 360.0 -62.9 -28.2 13.7 20.0 -6.7 498 287 B Q < 0 0 177 -4,-0.9 -5,-0.0 -5,-0.2 -146,-0.0 -0.637 360.0 360.0 -71.8 360.0 15.0 17.2 -8.9