==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-13 4BKZ . COMPND 2 MOLECULE: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.CANEVARI,S.RE DEPAOLINI,U.CUCCHI,B.FORTE,P.CARPINELLI,J.A. . 309 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 0 2 0 2 1 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K > 0 0 208 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -11.4 37.1 19.2 8.5 2 3 A D T 3 + 0 0 37 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.664 360.0 50.7 -68.2 -19.1 34.0 17.8 10.3 3 4 A Y T 3> S+ 0 0 48 1,-0.1 4,-2.5 2,-0.1 -1,-0.2 0.342 81.5 99.0-100.6 4.5 33.5 15.4 7.3 4 5 A D T <4 S+ 0 0 87 -3,-0.8 4,-0.4 2,-0.2 -1,-0.1 0.878 85.2 42.1 -62.1 -47.8 37.1 14.1 7.2 5 6 A E T >> S+ 0 0 70 -4,-0.3 3,-1.6 1,-0.2 4,-0.7 0.949 115.4 50.9 -66.3 -48.8 36.5 10.8 9.0 6 7 A L H >> S+ 0 0 0 -4,-0.3 4,-2.8 1,-0.3 3,-1.4 0.870 103.6 58.1 -54.0 -46.0 33.3 10.2 7.1 7 8 A L H 3< S+ 0 0 89 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.583 94.5 67.0 -68.2 -10.1 34.9 10.8 3.7 8 9 A K H <4 S+ 0 0 136 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.827 117.8 23.0 -72.3 -32.5 37.4 7.9 4.5 9 10 A Y H << S+ 0 0 54 -3,-1.4 20,-2.3 -4,-0.7 21,-0.4 0.735 124.9 38.1-105.2 -31.3 34.4 5.5 4.3 10 11 A Y E < -A 28 0A 1 -4,-2.8 2,-0.5 18,-0.2 18,-0.2 -0.961 60.2-138.7-131.9 146.1 31.7 7.1 2.2 11 12 A E E -A 27 0A 111 16,-1.8 16,-2.1 -2,-0.4 2,-0.1 -0.912 37.5-131.2 -97.2 116.1 31.4 9.2 -0.9 12 13 A L E +A 26 0A 45 -2,-0.5 14,-0.2 14,-0.2 2,-0.1 -0.424 28.0 176.9 -76.9 145.5 28.7 11.9 -0.2 13 14 A H E - 0 0 60 12,-2.9 2,-0.1 1,-0.2 -1,-0.1 -0.341 44.3 -30.2-122.4-154.6 25.8 12.7 -2.5 14 15 A E E - 0 0 118 -2,-0.1 11,-2.2 10,-0.1 2,-0.3 -0.396 57.7-117.0 -66.4 139.9 22.8 15.0 -2.4 15 16 A T E -A 24 0A 60 9,-0.3 9,-0.3 1,-0.2 3,-0.1 -0.617 30.0-176.3 -68.9 129.9 21.1 15.9 0.9 16 17 A I E + 0 0 120 7,-2.2 2,-0.3 -2,-0.3 8,-0.2 0.707 63.9 30.5-103.1 -27.0 17.6 14.6 0.7 17 18 A G E -A 23 0A 25 6,-1.6 6,-2.5 2,-0.0 2,-0.3 -0.975 64.9-174.9-138.1 150.4 16.2 15.9 4.0 18 19 A T 0 0 126 -2,-0.3 4,-0.2 4,-0.2 6,-0.0 -0.920 360.0 360.0-143.8 162.4 16.8 18.9 6.2 19 20 A G 0 0 95 -2,-0.3 3,-0.1 0, 0.0 -2,-0.0 -0.052 360.0 360.0 58.0 360.0 15.9 20.5 9.5 20 ! 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 21 23 A A 0 0 67 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 142.5 19.2 16.5 11.9 22 24 A K E - B 0 39A 71 17,-2.1 17,-3.1 -4,-0.2 2,-0.4 -0.919 360.0-137.6-126.7 163.2 19.8 16.4 8.1 23 25 A V E -AB 17 38A 36 -6,-2.5 -7,-2.2 -2,-0.3 -6,-1.6 -0.976 14.6-171.6-130.6 125.1 20.1 13.4 5.8 24 26 A K E -AB 15 37A 33 13,-2.9 13,-3.6 -2,-0.4 -9,-0.3 -0.960 22.7-129.8-117.9 132.8 22.5 12.8 3.0 25 27 A L E + B 0 36A 13 -11,-2.2 -12,-2.9 -2,-0.4 2,-0.3 -0.562 42.0 164.7 -69.0 141.6 22.5 10.1 0.4 26 28 A A E -AB 12 35A 0 9,-2.3 9,-3.4 -14,-0.2 2,-0.4 -0.964 34.0-121.3-155.1 166.3 26.0 8.4 0.2 27 29 A C E -AB 11 34A 19 -16,-2.1 -16,-1.8 -2,-0.3 2,-0.7 -0.955 20.0-131.8-118.5 134.0 27.9 5.4 -1.0 28 30 A H E >>> -AB 10 33A 0 5,-3.1 4,-2.7 -2,-0.4 3,-0.6 -0.808 19.5-153.1 -87.2 116.7 29.9 3.0 1.2 29 31 A I T 345S+ 0 0 71 -20,-2.3 -1,-0.2 -2,-0.7 -19,-0.1 0.883 85.3 54.1 -64.9 -46.7 33.2 2.6 -0.7 30 32 A L T 345S+ 0 0 27 -21,-0.4 282,-1.8 1,-0.2 -1,-0.2 0.757 127.2 20.6 -61.6 -29.0 34.3 -0.9 0.5 31 33 A T T <45S- 0 0 1 -3,-0.6 -2,-0.2 280,-0.2 -1,-0.2 0.618 94.4-128.8-110.7 -19.6 31.0 -2.6 -0.6 32 34 A G T <5 + 0 0 20 -4,-2.7 2,-0.2 1,-0.3 -3,-0.2 0.540 58.1 148.8 75.3 8.4 29.6 -0.1 -3.1 33 35 A E E < -B 28 0A 4 -5,-0.5 -5,-3.1 -6,-0.1 -1,-0.3 -0.517 49.3-119.0 -80.7 141.4 26.3 -0.1 -1.2 34 36 A M E +B 27 0A 61 -7,-0.2 50,-0.5 -2,-0.2 2,-0.3 -0.509 39.2 173.8 -72.5 139.1 24.1 3.0 -1.1 35 37 A V E -BC 26 83A 0 -9,-3.4 -9,-2.3 -2,-0.2 2,-0.4 -0.909 29.9-125.5-136.9 170.2 23.4 4.4 2.4 36 38 A A E -BC 25 82A 19 46,-2.4 46,-3.3 -2,-0.3 2,-0.6 -0.981 21.7-152.4-117.8 132.6 21.7 7.3 4.1 37 39 A I E -BC 24 81A 0 -13,-3.6 -13,-2.9 -2,-0.4 2,-0.7 -0.924 0.9-154.4-112.3 118.1 23.7 9.4 6.5 38 40 A K E -BC 23 80A 28 42,-3.4 42,-2.2 -2,-0.6 2,-0.5 -0.837 15.4-164.0 -94.5 114.5 21.9 11.3 9.3 39 41 A I E -BC 22 79A 7 -17,-3.1 -17,-2.1 -2,-0.7 2,-0.4 -0.875 8.5-178.1-107.3 121.2 24.1 14.2 10.3 40 42 A M E - C 0 78A 6 38,-2.8 38,-2.3 -2,-0.5 2,-0.3 -0.975 22.0-131.8-126.2 136.0 23.4 16.0 13.6 41 43 A D E - C 0 77A 39 -2,-0.4 36,-0.2 36,-0.2 35,-0.1 -0.604 9.5-161.6 -79.8 140.2 25.1 19.1 15.1 42 44 A K S > S+ 0 0 50 34,-2.5 3,-0.6 -2,-0.3 -1,-0.1 0.841 86.8 47.8 -90.9 -40.0 26.2 18.9 18.8 43 45 A N T 3 S+ 0 0 110 33,-0.4 2,-2.2 1,-0.3 -1,-0.1 0.960 107.2 55.4 -64.2 -55.5 26.6 22.6 19.6 44 46 A T T 3 0 0 110 1,-0.2 -1,-0.3 0, 0.0 -3,-0.2 -0.230 360.0 360.0 -75.2 48.2 23.2 23.6 18.2 45 47 A L < 0 0 111 -2,-2.2 -2,-0.2 -3,-0.6 -1,-0.2 0.037 360.0 360.0-178.1 360.0 21.6 21.0 20.4 46 ! 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 47 51 A L >> 0 0 90 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -51.7 21.0 16.0 22.5 48 52 A P H 3> + 0 0 94 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.667 360.0 74.5 -71.2 -9.1 20.4 13.0 24.8 49 53 A R H 3> S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 101,-0.2 0.839 96.4 48.2 -60.0 -34.7 17.5 12.4 22.3 50 54 A I H <> S+ 0 0 14 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.904 109.5 49.7 -74.6 -44.4 20.3 11.2 20.0 51 55 A K H X S+ 0 0 89 -4,-1.1 4,-2.4 2,-0.2 5,-0.2 0.891 108.7 55.1 -62.3 -40.3 22.0 9.0 22.5 52 56 A T H X S+ 0 0 55 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.973 112.3 42.3 -51.6 -59.0 18.6 7.4 23.3 53 57 A E H X S+ 0 0 3 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.931 113.5 50.0 -56.2 -55.1 18.1 6.6 19.6 54 58 A I H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.882 112.3 49.1 -53.8 -43.6 21.6 5.3 18.9 55 59 A E H X S+ 0 0 84 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.3 0.886 112.0 49.1 -66.3 -38.0 21.4 3.1 22.0 56 60 A A H >X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 3,-0.9 0.975 112.0 46.6 -63.0 -54.0 18.0 1.8 20.9 57 61 A L H 3< S+ 0 0 5 -4,-3.0 11,-0.3 1,-0.3 -1,-0.2 0.713 106.2 59.1 -64.5 -24.6 19.2 1.0 17.3 58 62 A K H 3< S+ 0 0 59 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.867 114.2 38.8 -67.6 -35.0 22.3 -0.7 18.5 59 63 A N H << S+ 0 0 81 -4,-1.1 2,-0.4 -3,-0.9 -2,-0.2 0.581 108.6 70.4 -91.6 -16.3 20.0 -3.1 20.4 60 64 A L < + 0 0 2 -4,-1.2 2,-0.3 -5,-0.1 59,-0.0 -0.909 51.1 167.0-111.5 136.4 17.3 -3.5 17.8 61 65 A R + 0 0 3 -2,-0.4 2,-0.3 6,-0.1 193,-0.1 -0.933 16.3 140.2-153.7 121.9 17.7 -5.4 14.6 62 66 A H > - 0 0 0 3,-0.4 3,-2.0 -2,-0.3 194,-0.1 -0.988 60.5-109.4-167.8 146.4 14.8 -6.4 12.3 63 67 A Q T 3 S+ 0 0 37 -2,-0.3 4,-0.1 1,-0.3 193,-0.1 0.687 120.0 42.5 -56.0 -25.2 13.6 -6.7 8.7 64 68 A H T 3 S+ 0 0 22 79,-0.1 80,-2.2 2,-0.1 2,-0.5 0.117 97.0 86.3-114.0 19.6 11.2 -3.8 9.3 65 69 A I B < S-e 144 0B 1 -3,-2.0 -3,-0.4 78,-0.3 2,-0.3 -0.989 87.9-112.7-117.1 129.3 13.5 -1.5 11.2 66 70 A C - 0 0 5 78,-2.0 2,-0.2 -2,-0.5 -2,-0.1 -0.437 45.1-120.3 -56.8 116.5 15.8 0.8 9.3 67 71 A Q - 0 0 10 -2,-0.3 16,-2.0 -4,-0.1 2,-0.6 -0.458 12.7-141.1 -74.6 126.7 19.2 -0.6 10.1 68 72 A L E +D 82 0A 1 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.776 25.1 171.3 -77.8 122.5 22.0 1.4 11.8 69 73 A Y E + 0 0 15 12,-3.4 2,-0.3 -2,-0.6 225,-0.2 0.783 58.4 9.2 -96.1 -33.2 25.3 0.5 10.2 70 74 A H E -D 81 0A 7 11,-1.2 11,-2.4 223,-0.1 2,-0.6 -0.974 48.1-156.5-163.8 121.8 27.8 3.0 11.7 71 75 A V E +D 80 0A 31 218,-2.8 2,-0.4 -2,-0.3 9,-0.2 -0.954 20.1 177.0-106.8 115.6 28.1 5.6 14.4 72 76 A L E -D 79 0A 9 7,-1.8 7,-3.0 -2,-0.6 2,-0.4 -0.913 7.0-167.3-109.3 145.4 30.8 8.3 13.9 73 77 A E E +D 78 0A 108 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.990 7.3 178.1-135.3 126.7 31.4 11.2 16.2 74 78 A T - 0 0 29 3,-2.8 -72,-0.1 -2,-0.4 -71,-0.0 -0.631 51.0 -90.5-110.8 179.2 33.5 14.4 15.7 75 79 A A S S+ 0 0 83 -2,-0.2 -73,-0.0 1,-0.2 -1,-0.0 0.917 126.6 16.9 -53.2 -44.5 34.0 17.4 18.0 76 80 A N S S+ 0 0 55 -34,-0.1 -34,-2.5 -35,-0.1 -33,-0.4 0.842 121.7 54.1 -95.2 -44.1 31.0 19.1 16.3 77 81 A K E -C 41 0A 39 -36,-0.2 -3,-2.8 -35,-0.1 2,-0.4 -0.574 50.9-157.2-104.0 156.6 29.1 16.4 14.4 78 82 A I E -CD 40 73A 5 -38,-2.3 -38,-2.8 -5,-0.2 2,-0.4 -0.999 18.2-162.5-123.1 130.6 27.4 13.1 15.0 79 83 A F E -CD 39 72A 1 -7,-3.0 -7,-1.8 -2,-0.4 2,-0.5 -0.925 8.6-170.8-113.9 136.3 26.9 10.8 12.0 80 84 A M E -CD 38 71A 0 -42,-2.2 -42,-3.4 -2,-0.4 2,-0.6 -0.993 11.3-154.6-124.3 118.2 24.5 7.9 11.8 81 85 A V E -CD 37 70A 0 -11,-2.4 -12,-3.4 -2,-0.5 -11,-1.2 -0.882 26.1-179.8 -97.8 121.2 24.8 5.7 8.7 82 86 A L E -CD 36 68A 19 -46,-3.3 -46,-2.4 -2,-0.6 -14,-0.2 -0.778 35.5 -77.8-126.4 157.8 21.5 4.0 8.1 83 87 A E E -C 35 0A 31 -16,-2.0 2,-0.5 -2,-0.3 -48,-0.1 -0.327 52.8-116.1 -56.5 137.1 19.9 1.6 5.7 84 88 A Y - 0 0 71 -50,-0.5 54,-0.3 -58,-0.0 -1,-0.1 -0.681 30.2-173.5 -86.7 121.0 19.0 3.4 2.4 85 89 A C > + 0 0 17 -2,-0.5 3,-1.2 1,-0.2 51,-0.2 -0.822 9.1 174.6-118.1 89.5 15.2 3.5 1.7 86 90 A P T 3 + 0 0 63 0, 0.0 51,-0.2 0, 0.0 -1,-0.2 0.874 66.6 79.8 -69.3 -31.0 14.6 5.0 -1.7 87 91 A G T 3 S- 0 0 41 49,-1.0 50,-0.2 1,-0.1 51,-0.0 0.549 91.9-140.6 -47.7 -16.1 10.8 4.4 -1.6 88 92 A G E < -F 136 0B 28 -3,-1.2 48,-2.3 48,-0.5 -1,-0.1 -0.152 38.1 -28.0 79.0-178.2 10.3 7.5 0.5 89 93 A E E > -F 135 0B 67 46,-0.2 4,-1.1 1,-0.1 46,-0.2 -0.352 43.8-130.5 -71.8 147.9 8.0 8.1 3.5 90 94 A L H >> S+ 0 0 0 44,-2.9 4,-1.9 41,-1.0 3,-0.6 0.916 109.4 64.8 -55.9 -45.7 4.6 6.3 4.0 91 95 A F H 3> S+ 0 0 74 40,-1.3 4,-2.0 43,-0.3 3,-0.4 0.906 102.3 44.1 -38.5 -62.4 3.3 9.9 4.5 92 96 A D H 3> S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.757 110.8 56.5 -61.5 -26.6 4.0 11.0 0.9 93 97 A Y H - 0 0 59 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.254 34.1-106.8 -68.3 166.0 -7.6 0.3 -0.0 102 106 A E H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.936 122.2 52.6 -60.2 -42.6 -8.2 -2.1 2.9 103 107 A E H > S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 114.2 40.5 -58.3 -50.6 -6.2 -4.8 1.0 104 108 A E H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 112.4 55.3 -71.0 -37.8 -3.2 -2.5 0.5 105 109 A T H X S+ 0 0 0 -4,-2.9 4,-3.5 1,-0.2 5,-0.2 0.917 107.1 52.2 -53.8 -43.5 -3.5 -1.0 4.1 106 110 A R H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.883 105.8 52.9 -62.0 -42.2 -3.3 -4.6 5.4 107 111 A V H X S+ 0 0 63 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.947 118.6 36.8 -56.6 -51.0 -0.1 -5.3 3.4 108 112 A V H X S+ 0 0 3 -4,-1.9 4,-1.7 1,-0.2 3,-0.5 0.909 114.2 54.9 -67.4 -46.9 1.5 -2.2 5.0 109 113 A F H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.3 5,-0.2 0.854 101.6 57.9 -65.7 -35.1 -0.1 -2.5 8.4 110 114 A R H X S+ 0 0 18 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.3 0.886 105.6 51.3 -59.1 -40.1 1.2 -6.1 8.9 111 115 A Q H X S+ 0 0 15 -4,-0.9 4,-2.4 -3,-0.5 -2,-0.2 0.900 109.4 49.9 -64.7 -39.7 4.8 -4.8 8.4 112 116 A I H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.934 111.5 48.2 -62.8 -47.6 4.2 -2.0 11.1 113 117 A V H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.913 109.8 53.4 -60.4 -42.4 2.8 -4.6 13.6 114 118 A S H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.946 112.9 42.6 -57.7 -50.1 5.8 -6.8 12.9 115 119 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 118.8 43.8 -64.3 -50.2 8.3 -4.0 13.6 116 120 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.862 111.1 53.3 -66.4 -39.2 6.4 -2.7 16.7 117 121 A A H X S+ 0 0 9 -4,-3.5 4,-2.3 -5,-0.3 -1,-0.2 0.950 111.6 47.3 -60.4 -47.3 5.7 -6.2 18.1 118 122 A Y H X S+ 0 0 12 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.925 108.2 54.6 -58.3 -45.2 9.4 -6.9 17.9 119 123 A V H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 -2,-0.2 0.921 111.1 46.5 -54.6 -44.4 10.3 -3.5 19.5 120 124 A H H ><5S+ 0 0 33 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.878 106.2 58.1 -64.6 -39.7 8.1 -4.4 22.4 121 125 A S H 3<5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.4 52.9 -58.6 -33.0 9.6 -7.9 22.7 122 126 A Q T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.405 125.7-100.9 -82.6 -2.2 13.0 -6.2 23.2 123 127 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.587 83.8 113.7 93.7 11.2 11.8 -4.1 26.1 124 128 A Y < - 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0 0 8 -13,-2.3 2,-1.1 -14,-0.1 3,-0.1 -0.398 41.7-132.3 -56.1 126.6 2.1 -11.5 11.8 251 272 A E + 0 0 129 1,-0.2 -1,-0.1 -2,-0.1 -137,-0.1 -0.765 41.7 159.7 -82.4 96.6 5.7 -12.8 11.7 252 273 A W + 0 0 76 -2,-1.1 -1,-0.2 2,-0.1 2,-0.1 0.623 33.4 107.8 -98.2 -21.0 7.2 -10.3 14.2 253 274 A Q S S- 0 0 133 -3,-0.1 2,-0.1 1,-0.1 -135,-0.1 -0.413 77.4-106.3 -64.3 134.8 10.3 -12.3 15.2 254 275 A S - 0 0 38 -2,-0.1 2,-0.2 -193,-0.1 -1,-0.1 -0.345 25.9-168.7 -61.8 131.2 13.4 -10.9 13.7 255 276 A K S S+ 0 0 130 1,-0.1 -192,-0.1 -2,-0.1 -194,-0.1 -0.245 71.9 76.9 -82.9-162.8 15.3 -12.5 10.9 256 277 A N S S- 0 0 57 -2,-0.2 -1,-0.1 -194,-0.1 -2,-0.1 0.998 81.7-151.2 63.2 63.4 18.6 -10.5 10.9 257 278 A P - 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -195,-0.1 -0.134 27.4-154.0 -67.7 161.5 20.3 -12.2 13.9 258 279 A F S S+ 0 0 54 -197,-0.1 29,-0.1 3,-0.1 -2,-0.0 0.709 98.6 37.8 -87.9 -37.9 22.8 -10.8 16.4 259 280 A I S S+ 0 0 154 2,-0.0 2,-0.1 0, 0.0 26,-0.0 0.974 100.7 69.1 -84.1 -61.4 24.2 -14.3 17.1 260 281 A H S S- 0 0 125 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.408 70.6-158.6 -60.3 131.9 24.2 -16.3 13.9 261 282 A L - 0 0 18 -2,-0.1 2,-0.4 4,-0.0 -3,-0.1 -0.886 20.4-110.7-108.3 149.1 26.9 -14.9 11.5 262 283 A D > - 0 0 22 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.650 19.5-149.2 -78.4 127.3 27.0 -15.3 7.8 263 284 A D H > S+ 0 0 91 -2,-0.4 4,-2.8 1,-0.2 -1,-0.1 0.904 95.2 50.5 -65.6 -44.1 29.9 -17.6 6.7 264 285 A D H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 112.8 47.3 -59.6 -44.7 30.5 -15.9 3.3 265 286 A C H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 111.9 50.1 -63.5 -44.7 30.6 -12.5 5.0 266 287 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.942 111.5 51.0 -55.8 -46.5 33.0 -13.8 7.7 267 288 A T H X S+ 0 0 57 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.931 110.5 45.0 -58.9 -51.3 35.2 -15.3 4.9 268 289 A E H X S+ 0 0 26 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.877 115.0 48.6 -68.0 -36.3 35.5 -12.1 2.8 269 290 A L H X S+ 0 0 1 -4,-2.1 4,-3.5 -5,-0.2 -1,-0.2 0.908 107.2 57.6 -66.7 -40.8 36.2 -10.0 5.9 270 291 A S H X>S+ 0 0 12 -4,-2.9 5,-1.5 2,-0.2 4,-0.8 0.888 106.5 48.3 -51.0 -48.1 38.8 -12.7 7.1 271 292 A V H <5S+ 0 0 83 -4,-2.1 3,-0.2 2,-0.2 -1,-0.2 0.884 113.6 46.7 -64.3 -40.9 40.8 -12.2 3.8 272 293 A H H <5S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.960 120.4 38.8 -60.8 -49.3 40.6 -8.4 4.2 273 294 A H H <5S- 0 0 78 -4,-3.5 -2,-0.2 -5,-0.1 -1,-0.2 0.473 101.4-137.7 -78.6 -4.6 41.7 -8.7 7.9 274 295 A R T <5 + 0 0 222 -4,-0.8 2,-0.2 -3,-0.2 -3,-0.2 0.870 63.6 117.1 39.3 50.5 44.2 -11.5 7.1 275 296 A N S > - 0 0 102 -2,-0.2 4,-2.2 -3,-0.1 3,-0.6 -0.563 41.4-105.6 -92.7 161.9 41.3 -16.7 10.9 277 298 A R H 3> S+ 0 0 94 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.818 117.4 53.0 -61.8 -35.1 37.6 -17.2 10.9 278 299 A Q H 3> S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.876 110.2 47.9 -66.7 -39.0 37.2 -17.5 14.7 279 300 A T H <> S+ 0 0 67 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.923 112.3 50.2 -62.1 -45.4 39.1 -14.2 15.2 280 301 A M H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.897 110.5 49.9 -62.2 -42.2 36.9 -12.5 12.6 281 302 A E H X S+ 0 0 39 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.921 110.4 48.1 -61.0 -50.1 33.7 -13.8 14.2 282 303 A D H < S+ 0 0 91 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.915 113.2 50.2 -56.1 -43.9 34.7 -12.6 17.7 283 304 A L H >< S+ 0 0 71 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.940 113.6 43.8 -62.5 -49.3 35.6 -9.2 16.2 284 305 A I H >< S+ 0 0 1 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.915 106.8 60.9 -59.9 -43.7 32.2 -8.9 14.4 285 306 A S T 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.471 85.2 75.1 -74.9 -2.1 30.1 -10.1 17.3 286 307 A L T < S- 0 0 105 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.712 85.8-156.6 -73.7 -23.3 31.3 -7.2 19.5 287 308 A W < + 0 0 32 -3,-2.2 -2,-0.1 -4,-0.3 -3,-0.1 0.916 28.4 163.4 48.5 60.6 28.9 -5.0 17.4 288 309 A Q - 0 0 122 -4,-0.1 -217,-0.2 -218,-0.0 -1,-0.1 0.480 47.4-126.5 -89.2 -3.5 30.7 -1.7 18.0 289 310 A Y + 0 0 4 1,-0.1 -218,-2.8 -219,-0.1 2,-0.2 0.903 67.3 128.9 54.5 45.6 28.9 0.0 15.1 290 311 A D S > S- 0 0 59 -220,-0.2 4,-2.3 -218,-0.0 3,-0.2 -0.323 84.4 -67.9-104.1-165.2 32.3 1.1 13.7 291 312 A H H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.797 134.5 58.1 -62.9 -26.7 33.3 0.6 10.1 292 313 A L H > S+ 0 0 22 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.941 106.5 46.7 -67.5 -45.4 33.5 -3.2 10.7 293 314 A T H > S+ 0 0 2 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.961 114.4 49.5 -59.3 -47.1 29.8 -3.3 11.7 294 315 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.936 114.3 43.5 -55.6 -54.0 29.0 -1.2 8.7 295 316 A T H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.918 115.1 48.4 -61.8 -46.6 31.0 -3.4 6.2 296 317 A Y H X S+ 0 0 7 -4,-3.2 4,-2.3 2,-0.2 3,-0.4 0.980 116.2 42.6 -55.9 -56.8 29.7 -6.7 7.7 297 318 A L H X S+ 0 0 13 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.860 115.4 50.5 -62.4 -35.5 26.1 -5.6 7.7 298 319 A L H X S+ 0 0 1 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.787 108.7 51.4 -74.0 -25.7 26.5 -4.0 4.2 299 320 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.4 -2,-0.2 0.887 109.3 51.2 -73.2 -38.7 28.1 -7.2 2.8 300 321 A L H X S+ 0 0 54 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.910 111.4 47.3 -62.0 -43.9 25.1 -9.1 4.2 301 322 A A H X S+ 0 0 27 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.839 108.0 55.5 -66.0 -36.5 22.8 -6.6 2.4 302 323 A K H <>S+ 0 0 14 -4,-1.8 5,-2.2 2,-0.2 -2,-0.2 0.926 109.6 48.3 -58.1 -42.5 24.8 -7.0 -0.8 303 324 A K H ><5S+ 0 0 70 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.931 108.4 50.8 -68.5 -48.1 24.2 -10.8 -0.5 304 325 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.5 59.3 -57.1 -34.0 20.4 -10.5 0.1 305 326 A R T 3<5S- 0 0 72 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.315 123.9-108.4 -78.9 12.3 20.2 -8.3 -2.9 306 327 A G T < 5S+ 0 0 70 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.810 76.9 132.8 66.8 33.1 21.6 -11.2 -4.9 307 328 A K < - 0 0 93 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.796 65.5 -87.6-110.6 156.4 25.0 -9.6 -5.4 308 329 A P - 0 0 83 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.385 37.4-114.7 -65.3 137.8 28.4 -11.2 -4.9 309 330 A V + 0 0 19 -2,-0.1 2,-0.4 -7,-0.1 -10,-0.1 -0.590 65.9 146.8 -68.7 86.4 29.9 -11.0 -1.3 310 331 A R - 0 0 147 -2,-1.6 2,-0.2 -279,-0.1 -45,-0.0 -0.990 40.5-152.7-137.5 126.1 32.8 -8.9 -2.4 311 332 A L - 0 0 15 -2,-0.4 2,-0.5 -43,-0.1 -280,-0.2 -0.536 20.1-131.3 -84.9 162.0 34.8 -6.1 -0.9 312 333 A R 0 0 138 -282,-1.8 -280,-0.1 -2,-0.2 -281,-0.1 -0.793 360.0 360.0-114.3 89.2 36.6 -3.4 -3.0 313 334 A L 0 0 141 -2,-0.5 -41,-0.0 -283,-0.0 0, 0.0 0.353 360.0 360.0 -88.9 360.0 40.1 -3.3 -1.7