==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JAN-13 4IXP . COMPND 2 MOLECULE: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.S.CAO,J.WANG,Z.X.WANG,J.W.WU . 334 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 67.4 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 . 45 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 24 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 3 0 0 0 1 2 2 0 0 1 0 0 0 1 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 . 1 1 1 1 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 1 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 0 173 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 132.6 -47.1 73.7 35.5 2 3 A D T 3> + 0 0 34 1,-0.2 4,-0.6 2,-0.1 3,-0.4 0.686 360.0 63.9 -77.3 -19.4 -48.6 71.1 33.3 3 4 A Y H 3> S+ 0 0 52 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.706 76.4 85.1 -81.0 -20.1 -47.3 68.3 35.4 4 5 A D H <4 S+ 0 0 89 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.854 93.3 45.4 -56.1 -40.2 -49.3 69.1 38.5 5 6 A E H >4 S+ 0 0 89 -3,-0.4 3,-0.8 -4,-0.3 4,-0.3 0.931 118.4 42.9 -69.2 -43.2 -52.3 67.2 37.4 6 7 A L H >X S+ 0 0 1 -4,-0.6 3,-1.9 1,-0.2 4,-1.5 0.885 105.8 63.7 -65.8 -39.0 -50.3 64.2 36.3 7 8 A L T 3< S+ 0 0 66 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.591 92.5 63.6 -69.3 -10.7 -48.1 64.3 39.4 8 9 A K T <4 S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.629 112.9 33.3 -86.8 -11.8 -51.0 63.5 41.6 9 10 A Y T <4 S+ 0 0 56 -3,-1.9 21,-2.0 -4,-0.3 22,-0.4 0.610 124.4 33.7-109.9 -17.0 -51.5 60.1 40.0 10 11 A Y E < -A 29 0A 1 -4,-1.5 2,-0.5 19,-0.2 -1,-0.2 -0.991 58.1-145.4-142.4 143.2 -47.9 59.2 39.2 11 12 A E E -A 28 0A 107 17,-2.3 17,-2.9 -2,-0.3 2,-0.0 -0.948 36.4-121.6-104.1 134.1 -44.4 59.6 40.4 12 13 A L E -A 27 0A 55 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.277 25.4-167.6 -73.6 155.8 -41.8 59.9 37.5 13 14 A H E - 0 0 62 13,-1.7 13,-0.3 1,-0.1 3,-0.1 -0.862 44.0 -55.3-138.8 168.9 -38.8 57.6 36.9 14 15 A E E - 0 0 126 -2,-0.3 12,-1.0 11,-0.1 -1,-0.1 -0.149 69.9 -97.1 -57.5 140.2 -35.8 57.8 34.7 15 16 A T E -A 25 0A 57 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.225 28.8-161.6 -67.7 144.4 -36.7 58.3 31.0 16 17 A I E S+ 0 0 91 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.818 70.9 3.7 -95.5 -41.8 -36.9 55.3 28.7 17 18 A G E -A 24 0A 29 7,-1.5 7,-2.4 1,-0.1 -1,-0.3 -0.955 41.4-164.7-150.2 130.3 -36.7 56.9 25.2 18 19 A T + 0 0 110 -2,-0.3 4,-0.1 5,-0.2 -1,-0.1 0.921 46.7 159.0 -73.5 -46.9 -36.2 60.4 23.9 19 20 A G - 0 0 63 2,-0.1 4,-0.0 4,-0.1 -2,-0.0 0.220 51.5 -79.0 56.1-177.5 -37.4 59.2 20.5 20 21 A G S S+ 0 0 76 1,-0.1 3,-0.1 2,-0.0 -1,-0.0 0.971 115.2 21.8 -81.2 -68.9 -38.8 61.3 17.7 21 22 A F S S+ 0 0 80 1,-0.2 2,-0.3 20,-0.0 -2,-0.1 0.692 125.1 21.3 -85.0 -23.4 -42.4 62.2 18.4 22 23 A A - 0 0 12 -4,-0.1 2,-0.3 19,-0.1 19,-0.2 -0.998 65.1-126.1-149.7 140.0 -42.6 61.7 22.2 23 24 A K E - B 0 40A 90 17,-1.7 17,-3.6 -2,-0.3 2,-0.5 -0.677 31.5-153.0 -75.2 137.5 -40.5 61.6 25.3 24 25 A V E -AB 17 39A 32 -7,-2.4 -8,-2.5 -2,-0.3 -7,-1.5 -0.976 12.1-172.2-120.9 120.9 -41.3 58.4 27.1 25 26 A K E -AB 15 38A 47 13,-2.6 13,-2.8 -2,-0.5 2,-0.3 -0.910 22.7-129.8-113.6 138.3 -40.8 58.2 30.9 26 27 A L E + B 0 37A 15 -12,-1.0 -13,-1.7 -2,-0.4 2,-0.3 -0.674 42.1 173.7 -77.2 138.0 -41.0 55.1 33.1 27 28 A A E -AB 12 36A 0 9,-2.9 9,-3.0 -2,-0.3 2,-0.5 -0.955 33.8-121.6-148.2 164.1 -43.3 55.8 36.1 28 29 A C E -AB 11 35A 12 -17,-2.9 -17,-2.3 -2,-0.3 2,-0.7 -0.946 21.7-137.1-112.4 124.5 -45.1 54.5 39.2 29 30 A H E >>> -AB 10 34A 0 5,-2.7 4,-2.0 -2,-0.5 3,-0.8 -0.739 20.3-148.1 -79.3 114.1 -48.9 54.7 39.5 30 31 A I T 345S+ 0 0 66 -21,-2.0 3,-0.2 -2,-0.7 -1,-0.2 0.883 86.2 52.1 -58.4 -51.2 -49.3 55.8 43.0 31 32 A L T 345S+ 0 0 26 -22,-0.4 301,-3.6 1,-0.2 302,-0.3 0.769 125.5 24.4 -58.0 -32.1 -52.6 54.1 44.0 32 33 A T T <45S- 0 0 2 -3,-0.8 -1,-0.2 299,-0.2 -2,-0.2 0.490 94.1-131.0-112.3 -9.8 -51.6 50.6 42.8 33 34 A G T <5 + 0 0 22 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.662 59.5 142.9 62.1 17.9 -47.8 50.9 43.1 34 35 A E E < -B 29 0A 40 -5,-0.7 -5,-2.7 1,-0.1 -1,-0.2 -0.647 53.1-114.5 -92.0 143.7 -47.6 49.4 39.5 35 36 A M E +B 28 0A 62 -2,-0.3 52,-0.6 -7,-0.2 2,-0.3 -0.496 38.4 173.9 -75.2 142.1 -45.0 50.5 36.8 36 37 A V E -BC 27 86A 0 -9,-3.0 -9,-2.9 -2,-0.2 2,-0.4 -0.948 28.8-124.7-138.6 161.8 -46.3 52.2 33.7 37 38 A A E -BC 26 85A 13 48,-2.6 48,-3.3 -2,-0.3 2,-0.5 -0.905 23.8-155.8-104.6 140.8 -44.8 53.9 30.7 38 39 A I E -BC 25 84A 2 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.6 -0.972 5.1-153.2-122.5 124.2 -45.8 57.5 29.9 39 40 A R E -BC 24 83A 34 44,-3.6 44,-3.2 -2,-0.5 2,-0.5 -0.853 15.5-161.7 -93.4 123.9 -45.7 59.1 26.5 40 41 A I E -BC 23 82A 12 -17,-3.6 -17,-1.7 -2,-0.6 2,-0.3 -0.924 10.2-179.6-112.3 125.1 -45.3 62.8 26.8 41 42 A M E - C 0 81A 5 40,-2.2 40,-1.5 -2,-0.5 2,-0.6 -0.900 24.2-134.9-123.2 153.2 -46.1 65.1 23.9 42 43 A D E > - C 0 80A 40 -2,-0.3 4,-3.1 38,-0.2 5,-0.3 -0.922 8.8-158.8-109.3 112.0 -45.9 68.9 23.4 43 44 A K H > S+ 0 0 36 36,-2.3 4,-1.7 -2,-0.6 7,-0.2 0.778 95.3 49.0 -59.8 -30.5 -49.0 70.3 21.7 44 45 A N H 4 S+ 0 0 107 35,-0.6 -1,-0.2 2,-0.2 4,-0.1 0.873 113.5 46.5 -78.4 -36.6 -47.2 73.4 20.5 45 46 A T H 4 S+ 0 0 114 34,-0.3 -2,-0.2 -3,-0.2 3,-0.2 0.896 115.8 45.4 -65.7 -44.1 -44.3 71.3 19.2 46 47 A L H >< S+ 0 0 14 -4,-3.1 3,-2.6 1,-0.2 -2,-0.2 0.844 80.6 150.2 -71.4 -34.4 -46.7 68.9 17.4 47 48 A G G >< S+ 0 0 37 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 -0.121 70.6 22.4 44.0-104.6 -48.8 71.7 16.0 48 49 A S G 3 S+ 0 0 110 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.634 121.5 59.3 -69.4 -16.2 -50.3 70.5 12.8 49 50 A D G X> S+ 0 0 42 -3,-2.6 4,-2.4 1,-0.2 3,-0.5 0.683 81.0 90.3 -85.5 -19.4 -49.9 66.8 13.7 50 51 A L H <> S+ 0 0 38 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.821 81.1 54.1 -44.8 -47.7 -52.1 67.3 16.8 51 52 A P H 3> S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.942 112.6 44.7 -54.7 -46.9 -55.4 66.5 15.0 52 53 A R H <> S+ 0 0 36 -3,-0.5 4,-2.6 -4,-0.3 5,-0.2 0.873 107.7 57.8 -65.7 -39.9 -53.9 63.2 13.8 53 54 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.883 106.7 50.9 -55.3 -38.1 -52.5 62.4 17.2 54 55 A K H X S+ 0 0 79 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.910 110.5 46.2 -69.8 -39.4 -56.0 62.7 18.6 55 56 A T H X S+ 0 0 88 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.838 110.0 54.8 -71.8 -30.7 -57.4 60.3 16.0 56 57 A E H X S+ 0 0 59 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.857 108.9 49.0 -67.3 -34.5 -54.5 57.9 16.6 57 58 A I H X S+ 0 0 7 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.889 107.4 53.4 -70.4 -40.0 -55.5 57.9 20.3 58 59 A E H < S+ 0 0 98 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.897 110.3 49.1 -61.9 -37.3 -59.1 57.3 19.5 59 60 A A H >< S+ 0 0 12 -4,-2.0 3,-2.6 1,-0.2 -2,-0.2 0.970 108.1 52.0 -63.3 -53.6 -57.9 54.3 17.5 60 61 A L H >< S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.3 11,-0.3 0.811 100.2 64.9 -54.5 -32.5 -55.7 53.0 20.4 61 62 A K T 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.669 99.4 53.6 -63.8 -17.6 -58.8 53.3 22.7 62 63 A N T < S+ 0 0 90 -3,-2.6 2,-0.6 -4,-0.4 -1,-0.3 0.225 89.3 93.7-105.5 15.2 -60.5 50.6 20.7 63 64 A L < + 0 0 6 -3,-1.6 2,-0.4 -4,-0.1 8,-0.4 -0.933 36.5 159.8-115.0 118.5 -57.7 48.0 20.9 64 65 A R + 0 0 45 -2,-0.6 2,-0.3 6,-0.1 212,-0.1 -0.898 24.8 138.4-136.3 101.8 -57.7 45.4 23.6 65 66 A H > - 0 0 1 3,-0.4 3,-1.2 -2,-0.4 209,-0.1 -0.989 60.9-116.9-149.2 151.2 -55.5 42.5 22.7 66 67 A Q T 3 S+ 0 0 35 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.659 116.2 38.2 -65.6 -18.2 -53.0 40.1 24.3 67 68 A H T 3 S+ 0 0 24 205,-0.1 80,-3.6 79,-0.1 2,-0.5 0.213 97.8 90.6-121.1 16.6 -50.2 41.3 22.0 68 69 A I B < S-e 147 0B 1 -3,-1.2 -3,-0.4 78,-0.3 80,-0.2 -0.958 85.5-113.1-110.5 127.6 -51.1 45.0 21.9 69 70 A C - 0 0 6 78,-2.6 80,-0.3 -2,-0.5 2,-0.2 -0.369 42.1-118.1 -56.5 122.2 -49.5 47.3 24.4 70 71 A Q - 0 0 6 -2,-0.2 16,-2.7 -4,-0.1 2,-0.4 -0.401 14.4-139.4 -76.4 135.8 -52.4 48.5 26.6 71 72 A L E +D 85 0A 1 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.788 25.0 170.3 -92.4 136.6 -53.5 52.1 27.0 72 73 A Y E + 0 0 17 12,-3.4 2,-0.3 -2,-0.4 13,-0.2 0.775 56.9 4.6-112.8 -44.2 -54.5 53.2 30.5 73 74 A H E -D 84 0A 7 11,-1.3 11,-3.1 240,-0.1 2,-0.5 -0.996 46.9-161.7-157.4 132.9 -54.9 56.9 30.8 74 75 A V E -D 83 0A 32 235,-3.0 2,-0.5 -2,-0.3 9,-0.2 -0.977 16.1-178.1-124.2 119.7 -54.9 59.9 28.5 75 76 A L E -D 82 0A 25 7,-2.2 7,-3.3 -2,-0.5 2,-0.4 -0.965 8.8-157.9-121.3 125.4 -54.5 63.3 30.2 76 77 A E E +D 81 0A 91 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.871 11.6 178.4-107.6 134.6 -54.5 66.6 28.3 77 78 A T - 0 0 26 3,-3.5 -34,-0.1 -2,-0.4 -75,-0.1 -0.734 48.1 -93.9-118.5 170.4 -53.0 69.9 29.4 78 79 A A S S+ 0 0 74 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.879 125.0 11.7 -43.5 -46.4 -52.7 73.3 27.9 79 80 A N S S+ 0 0 64 -36,-0.1 -36,-2.3 -37,-0.1 -35,-0.6 0.596 125.1 53.4-114.0 -17.5 -49.3 72.4 26.5 80 81 A K E -C 42 0A 33 -38,-0.2 -3,-3.5 -37,-0.1 2,-0.4 -0.835 51.1-158.2-125.0 155.0 -49.0 68.6 26.9 81 82 A I E -CD 41 76A 2 -40,-1.5 -40,-2.2 -2,-0.3 2,-0.5 -0.992 18.3-158.6-126.4 127.9 -50.7 65.4 26.2 82 83 A F E -CD 40 75A 0 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.5 -0.925 5.5-166.9-110.1 123.8 -49.8 62.4 28.4 83 84 A M E -CD 39 74A 0 -44,-3.2 -44,-3.6 -2,-0.5 2,-0.6 -0.940 7.2-158.6-105.7 126.3 -50.4 58.8 27.3 84 85 A V E +CD 38 73A 0 -11,-3.1 -12,-3.4 -2,-0.5 -11,-1.3 -0.908 21.6 172.0-107.4 123.4 -50.1 56.2 30.0 85 86 A L E -CD 37 71A 13 -48,-3.3 -48,-2.6 -2,-0.6 -14,-0.2 -0.803 40.4 -75.6-129.3 164.2 -49.4 52.7 28.7 86 87 A E E -C 36 0A 27 -16,-2.7 2,-0.4 -2,-0.3 -50,-0.1 -0.302 51.9-122.7 -53.9 135.5 -48.6 49.2 29.8 87 88 A Y - 0 0 70 -52,-0.6 -1,-0.1 -60,-0.1 -52,-0.1 -0.740 21.5-161.5 -89.3 136.1 -44.9 49.0 30.8 88 89 A C > - 0 0 11 -2,-0.4 3,-1.7 1,-0.2 51,-0.3 -0.803 10.8-179.2-124.1 91.3 -42.8 46.4 28.9 89 90 A P T 3 S+ 0 0 61 0, 0.0 51,-0.2 0, 0.0 -1,-0.2 0.844 75.3 72.1 -61.0 -38.8 -39.5 45.5 30.6 90 91 A G T 3 S- 0 0 21 49,-1.3 50,-0.2 1,-0.2 55,-0.0 0.705 94.8-153.5 -55.0 -18.4 -38.3 43.1 28.0 91 92 A G E < -F 139 0B 14 -3,-1.7 48,-1.6 48,-0.7 -1,-0.2 -0.248 35.5 -15.7 79.3-165.9 -37.7 46.1 25.9 92 93 A E E >> S-F 138 0B 75 46,-0.2 4,-2.5 -3,-0.1 3,-0.7 -0.175 80.5 -88.7 -71.6 166.5 -37.6 46.5 22.1 93 94 A L H 3> S+ 0 0 1 41,-1.4 4,-0.7 44,-0.8 42,-0.1 0.812 130.4 38.7 -43.3 -44.0 -37.4 43.4 19.8 94 95 A F H 3>>S+ 0 0 93 2,-0.2 4,-0.8 1,-0.2 5,-0.8 0.672 109.7 59.1 -90.0 -19.4 -33.5 43.5 19.8 95 96 A D H <45S+ 0 0 109 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.817 113.3 42.4 -62.3 -38.4 -33.3 44.4 23.5 96 97 A Y H <5S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.683 102.0 69.2 -80.5 -21.9 -35.2 41.1 23.9 97 98 A I H ><5S- 0 0 19 -4,-0.7 3,-0.6 -5,-0.3 -1,-0.2 0.842 94.3-137.6 -63.2 -37.4 -33.1 39.3 21.3 98 99 A I T 3<5 - 0 0 135 -4,-0.8 -3,-0.1 1,-0.2 3,-0.1 0.741 54.3 -78.9 74.9 26.1 -30.1 39.4 23.6 99 100 A S T 3 - 0 0 46 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.222 36.8 -98.4 -72.8 169.7 -33.6 29.5 14.5 105 106 A E H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.919 126.5 42.8 -59.1 -44.1 -36.6 28.8 12.4 106 107 A E H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 111.1 55.8 -70.1 -36.8 -38.6 27.6 15.5 107 108 A E H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.904 112.0 43.1 -60.3 -40.2 -37.3 30.5 17.6 108 109 A T H X S+ 0 0 0 -4,-2.6 4,-3.9 1,-0.2 5,-0.2 0.877 107.3 60.2 -75.2 -33.9 -38.6 33.0 15.0 109 110 A R H X S+ 0 0 2 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.897 102.4 53.7 -57.9 -41.6 -41.9 31.1 14.6 110 111 A V H X S+ 0 0 63 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.926 117.7 34.9 -57.3 -51.0 -42.6 31.6 18.3 111 112 A V H >X S+ 0 0 7 -4,-1.3 4,-1.9 2,-0.2 3,-0.6 0.928 116.3 55.1 -68.1 -46.3 -42.2 35.4 18.0 112 113 A F H 3X S+ 0 0 0 -4,-3.9 4,-2.7 1,-0.3 5,-0.2 0.888 100.9 57.0 -62.6 -42.7 -43.6 35.7 14.5 113 114 A R H 3X S+ 0 0 19 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.3 0.884 107.4 51.1 -51.8 -38.0 -46.9 34.0 15.3 114 115 A Q H <>S+ 0 0 4 -4,-2.0 5,-1.9 1,-0.2 3,-0.7 0.926 111.3 46.6 -55.5 -49.0 -55.5 45.5 14.2 123 124 A H H ><5S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.869 106.3 58.9 -61.2 -37.2 -56.8 44.8 10.7 124 125 A S H 3<5S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 101.6 55.6 -64.9 -24.5 -59.9 43.1 12.1 125 126 A Q T <<5S- 0 0 84 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.457 126.4-102.2 -88.4 -3.2 -60.7 46.4 13.8 126 127 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.3 1,-0.4 -3,-0.2 0.627 86.1 105.7 94.9 16.4 -60.5 48.2 10.5 127 128 A Y < - 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0 0 50 -2,-0.3 2,-0.1 -17,-0.1 -17,-0.1 -0.976 37.3 -93.4-149.5 159.1 -32.4 40.1 -1.9 226 227 A D - 0 0 132 -19,-0.4 0, 0.0 -2,-0.3 0, 0.0 -0.440 27.7-148.8 -74.0 149.4 -29.9 37.4 -0.7 227 228 A V - 0 0 69 -2,-0.1 -1,-0.0 4,-0.0 9,-0.0 -0.943 19.6-133.0-122.5 104.1 -31.2 34.1 0.5 228 229 A P > - 0 0 18 0, 0.0 3,-1.1 0, 0.0 -25,-0.0 -0.083 16.3-118.6 -58.2 156.7 -28.9 32.5 3.1 229 230 A K T 3 S+ 0 0 204 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.773 109.0 60.1 -66.8 -26.6 -27.9 28.9 2.9 230 231 A W T 3 S+ 0 0 112 -28,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.472 77.2 106.0 -88.5 -4.4 -29.5 28.1 6.3 231 232 A L < - 0 0 14 -3,-1.1 -4,-0.0 1,-0.1 -28,-0.0 -0.593 69.4-128.6 -75.1 135.6 -33.1 29.1 5.3 232 233 A S > - 0 0 29 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.380 22.9-109.5 -76.8 162.3 -35.4 26.2 4.8 233 234 A P H > S+ 0 0 107 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.932 121.2 52.2 -56.7 -49.3 -37.5 25.9 1.6 234 235 A S H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 110.7 47.8 -50.2 -47.6 -40.6 26.6 3.5 235 236 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.972 112.7 48.6 -59.5 -52.2 -39.0 29.8 5.1 236 237 A I H X S+ 0 0 43 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.863 111.5 50.2 -55.3 -44.2 -37.8 30.9 1.6 237 238 A L H X S+ 0 0 79 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.929 109.2 49.3 -59.5 -51.2 -41.3 30.4 0.1 238 239 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 5,-0.2 0.875 109.0 54.3 -62.2 -37.5 -43.1 32.3 2.8 239 240 A L H >X S+ 0 0 2 -4,-2.4 4,-3.5 -5,-0.2 3,-0.8 0.942 107.3 49.9 -57.6 -48.8 -40.6 35.1 2.4 240 241 A Q H 3< S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 108.0 53.9 -59.3 -37.0 -41.4 35.3 -1.3 241 242 A Q H 3< S+ 0 0 62 -4,-1.9 10,-3.1 1,-0.2 -1,-0.2 0.721 118.8 34.2 -73.5 -21.3 -45.1 35.4 -0.7 242 243 A M H << S+ 0 0 0 -4,-1.1 2,-1.8 -3,-0.8 -2,-0.2 0.800 108.3 65.3 -97.0 -41.2 -44.7 38.4 1.6 243 244 A L < + 0 0 8 -4,-3.5 2,-0.5 -5,-0.2 -1,-0.2 -0.447 68.1 139.6 -88.7 65.6 -41.9 40.2 -0.0 244 245 A Q - 0 0 63 -2,-1.8 6,-0.2 -3,-0.2 -21,-0.1 -0.944 48.1-150.8-107.8 123.3 -43.6 41.1 -3.2 245 246 A V S S+ 0 0 52 -2,-0.5 -68,-0.3 -23,-0.1 -1,-0.1 0.860 88.7 74.9 -59.5 -35.4 -43.0 44.6 -4.7 246 247 A D S > S- 0 0 71 1,-0.2 3,-1.1 -3,-0.1 4,-0.4 -0.735 76.3-155.0 -77.5 116.0 -46.5 44.3 -6.2 247 248 A P G > S+ 0 0 24 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.896 93.8 58.8 -58.0 -41.3 -48.9 44.9 -3.2 248 249 A K G 3 S+ 0 0 121 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.739 103.6 53.1 -61.2 -22.3 -51.6 42.9 -5.0 249 250 A K G < S+ 0 0 136 -3,-1.1 -1,-0.3 -5,-0.1 2,-0.2 0.483 84.9 108.1 -91.4 -5.6 -49.2 39.9 -5.1 250 251 A R S < S- 0 0 14 -3,-1.7 -8,-0.2 -4,-0.4 -9,-0.1 -0.499 83.8 -92.7 -75.1 143.6 -48.5 39.9 -1.4 251 252 A I - 0 0 15 -10,-3.1 -1,-0.1 -2,-0.2 2,-0.1 -0.209 43.6-118.1 -55.7 137.8 -50.0 37.0 0.7 252 253 A S > - 0 0 55 1,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.408 18.1-116.6 -74.3 159.0 -53.4 37.9 2.2 253 254 A M H > S+ 0 0 33 1,-0.2 4,-3.2 2,-0.2 3,-0.2 0.930 115.9 57.1 -56.0 -47.2 -53.8 38.0 6.0 254 255 A K H > S+ 0 0 165 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.891 111.4 40.7 -53.8 -46.1 -56.3 35.1 5.7 255 256 A N H 4 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.720 113.4 55.2 -76.0 -24.3 -53.8 32.9 4.0 256 257 A L H >< S+ 0 0 0 -4,-1.7 3,-2.1 -3,-0.2 -2,-0.2 0.931 99.1 61.9 -69.2 -46.3 -51.0 34.1 6.3 257 258 A L H 3< S+ 0 0 24 -4,-3.2 13,-1.9 1,-0.3 -2,-0.2 0.810 118.4 26.2 -50.9 -37.9 -53.0 33.1 9.4 258 259 A N T 3< S+ 0 0 84 -4,-0.8 -1,-0.3 11,-0.2 -2,-0.2 -0.002 86.7 149.0-120.5 28.8 -53.0 29.4 8.4 259 260 A H <> - 0 0 8 -3,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.307 55.9-121.6 -62.2 143.6 -49.9 29.3 6.3 260 261 A P H > S+ 0 0 95 0, 0.0 4,-0.6 0, 0.0 7,-0.2 0.880 115.2 50.9 -54.1 -42.6 -48.1 25.9 6.3 261 262 A W H >4 S+ 0 0 0 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.903 112.9 47.6 -59.1 -42.6 -44.9 27.6 7.6 262 263 A I H 34 S+ 0 0 0 1,-0.2 3,-0.4 -6,-0.2 -1,-0.2 0.880 116.8 41.0 -66.8 -39.8 -47.0 29.2 10.3 263 264 A M H >X S+ 0 0 56 -4,-2.7 4,-3.1 1,-0.2 3,-0.5 0.453 87.7 104.9 -86.9 0.1 -48.8 26.0 11.3 264 265 A Q T << S+ 0 0 102 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.842 92.5 19.1 -60.5 -44.3 -45.7 23.8 11.0 265 266 A D T 34 S+ 0 0 83 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.419 133.3 42.7-103.5 2.1 -44.9 23.3 14.7 266 267 A Y T <4 S- 0 0 66 -3,-0.5 -2,-0.2 -4,-0.2 -3,-0.1 0.685 80.8-147.8-118.0 -33.0 -48.3 24.1 16.1 267 268 A N S < S+ 0 0 129 -4,-3.1 -4,-0.1 -7,-0.2 -3,-0.1 0.770 75.3 81.2 58.7 26.3 -50.9 22.5 13.8 268 269 A Y S S- 0 0 101 -6,-0.2 -1,-0.1 -5,-0.1 3,-0.1 -0.932 84.3-110.5-152.0 142.8 -53.3 25.3 14.5 269 270 A P - 0 0 55 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.097 52.3 -69.0 -65.3 168.3 -53.3 28.8 12.8 270 271 A V - 0 0 6 -13,-1.9 2,-0.9 -14,-0.1 -156,-0.1 -0.362 44.3-135.8 -55.2 131.2 -52.4 32.0 14.6 271 272 A E + 0 0 91 1,-0.2 -1,-0.1 -3,-0.1 4,-0.1 -0.853 36.6 163.4 -95.2 107.0 -55.0 32.9 17.2 272 273 A W + 0 0 67 -2,-0.9 2,-0.2 2,-0.1 -1,-0.2 0.554 34.4 104.9-106.8 -14.4 -55.5 36.6 16.5 273 274 A Q S S- 0 0 126 1,-0.1 -207,-0.1 -208,-0.1 -152,-0.0 -0.524 86.7 -89.2 -76.8 140.1 -58.7 37.3 18.3 274 275 A S - 0 0 27 -2,-0.2 -209,-0.1 1,-0.2 -1,-0.1 -0.155 37.1-172.8 -43.2 124.0 -58.7 39.2 21.6 275 276 A K S S+ 0 0 119 1,-0.2 -1,-0.2 -4,-0.1 -210,-0.1 0.653 84.0 45.0 -98.1 -16.8 -58.4 36.6 24.4 276 277 A N S S+ 0 0 47 -212,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.414 80.8 162.4-118.5 46.6 -58.9 39.2 27.1 277 278 A P - 0 0 63 0, 0.0 2,-1.5 0, 0.0 3,-0.3 -0.388 48.8-101.9 -80.4 161.6 -61.8 41.3 25.8 278 279 A F + 0 0 87 1,-0.2 3,-0.1 -214,-0.1 -2,-0.0 -0.563 62.8 140.9 -78.8 84.5 -63.9 43.7 27.9 279 280 A I - 0 0 126 -2,-1.5 2,-0.3 1,-0.4 -1,-0.2 0.942 68.2 -4.4 -87.4 -67.1 -67.1 41.7 28.6 280 281 A H S S- 0 0 162 -3,-0.3 -1,-0.4 0, 0.0 2,-0.1 -0.931 79.8 -94.5-130.7 153.9 -68.0 42.4 32.2 281 282 A L - 0 0 36 -2,-0.3 2,-0.6 -3,-0.1 3,-0.0 -0.398 43.3-113.5 -66.2 138.5 -66.4 44.4 35.0 282 283 A D > - 0 0 33 1,-0.1 4,-1.8 -2,-0.1 3,-0.3 -0.671 22.2-143.8 -77.0 120.8 -64.3 42.2 37.3 283 284 A D H > S+ 0 0 93 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.858 94.9 53.3 -58.5 -42.0 -66.1 42.2 40.6 284 285 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 109.2 49.3 -58.8 -47.8 -63.0 42.3 42.8 285 286 A C H > S+ 0 0 0 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.851 112.5 49.2 -57.8 -39.1 -61.6 45.3 41.0 286 287 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 109.6 49.6 -69.0 -44.6 -65.0 47.0 41.5 287 288 A T H X S+ 0 0 52 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.931 111.1 51.4 -61.2 -42.5 -65.2 46.2 45.2 288 289 A E H X S+ 0 0 27 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.931 111.6 45.8 -60.0 -46.3 -61.7 47.6 45.7 289 290 A L H X S+ 0 0 1 -4,-1.8 4,-3.6 1,-0.2 5,-0.2 0.872 110.9 51.5 -65.3 -40.2 -62.4 50.8 43.9 290 291 A S H X>S+ 0 0 16 -4,-2.4 5,-2.0 2,-0.2 4,-0.7 0.801 106.2 55.8 -71.4 -27.8 -65.7 51.4 45.7 291 292 A V H <5S+ 0 0 89 -4,-2.0 3,-0.3 -5,-0.2 -2,-0.2 0.949 115.1 39.2 -60.0 -51.2 -63.9 50.9 49.0 292 293 A H H <5S+ 0 0 68 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 119.6 44.7 -64.4 -43.0 -61.6 53.7 47.9 293 294 A H H <5S- 0 0 74 -4,-3.6 -1,-0.2 -5,-0.1 -2,-0.2 0.561 104.2-133.6 -80.8 -5.3 -64.4 55.8 46.4 294 295 A R T <5 + 0 0 223 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.930 64.1 115.4 51.7 52.2 -66.5 55.1 49.4 295 296 A N < - 0 0 41 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.1 -0.838 67.6 -83.1-140.1 178.7 -69.5 54.3 47.3 296 297 A N > - 0 0 130 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.443 40.4-109.6 -88.7 162.4 -71.9 51.5 46.4 297 298 A R H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.889 112.1 45.8 -60.1 -50.4 -71.3 48.8 43.7 298 299 A Q H > S+ 0 0 107 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.939 114.6 49.4 -59.6 -49.1 -73.8 49.9 41.0 299 300 A T H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 112.6 49.0 -52.9 -43.1 -72.7 53.5 41.3 300 301 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.878 112.4 47.2 -67.8 -41.1 -69.1 52.4 41.0 301 302 A E H X S+ 0 0 39 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.933 109.6 52.5 -65.1 -48.9 -69.7 50.2 38.0 302 303 A D H X S+ 0 0 90 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.852 110.8 50.3 -57.5 -33.7 -71.7 52.9 36.2 303 304 A L H >< S+ 0 0 66 -4,-1.5 3,-0.5 -5,-0.3 4,-0.4 0.880 110.4 46.2 -73.9 -40.6 -68.7 55.2 36.8 304 305 A I H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.919 105.5 63.2 -66.1 -42.7 -66.1 52.8 35.4 305 306 A S H 3< S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.670 83.4 72.6 -59.0 -23.7 -68.3 52.1 32.4 306 307 A L T << S- 0 0 108 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.844 85.6-167.7 -58.8 -31.4 -68.1 55.7 31.3 307 308 A W < + 0 0 55 -3,-2.2 -2,-0.1 -4,-0.4 -3,-0.1 0.877 22.1 162.7 51.0 59.4 -64.6 54.4 30.5 308 309 A Q - 0 0 118 -4,-0.1 -234,-0.2 -235,-0.0 -1,-0.1 0.378 54.7-115.7 -93.9 1.8 -63.0 57.8 29.8 309 310 A Y S S+ 0 0 9 1,-0.1 -235,-3.0 -236,-0.1 2,-0.1 0.910 72.9 138.0 54.9 40.8 -59.4 56.7 30.1 310 311 A D S > S- 0 0 50 -237,-0.2 4,-2.1 -235,-0.0 3,-0.3 -0.270 79.1 -74.3 -92.1-170.9 -59.2 58.9 33.1 311 312 A H H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 133.6 58.3 -61.7 -27.3 -57.4 58.0 36.3 312 313 A L H > S+ 0 0 14 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.926 105.4 47.3 -65.1 -44.9 -60.3 55.7 37.1 313 314 A T H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.918 112.9 49.7 -65.2 -43.0 -59.9 53.7 34.0 314 315 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.931 111.7 48.0 -59.3 -48.2 -56.1 53.4 34.6 315 316 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.935 111.5 50.5 -61.2 -46.9 -56.7 52.3 38.2 316 317 A Y H X S+ 0 0 9 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.920 113.5 45.4 -52.7 -48.0 -59.3 49.7 37.1 317 318 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.881 111.4 50.7 -70.2 -39.0 -56.9 48.3 34.5 318 319 A L H X S+ 0 0 3 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.858 111.4 48.5 -68.1 -34.1 -53.8 48.2 36.8 319 320 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.904 110.4 53.3 -65.9 -41.7 -55.9 46.4 39.4 320 321 A L H X S+ 0 0 33 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.906 108.8 47.5 -58.7 -43.7 -57.0 44.0 36.6 321 322 A A H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.820 108.2 57.1 -67.4 -32.4 -53.4 43.4 35.6 322 323 A K H <>S+ 0 0 19 -4,-1.5 5,-2.5 2,-0.2 4,-0.5 0.902 104.9 49.5 -65.2 -44.6 -52.6 42.8 39.3 323 324 A K H ><5S+ 0 0 78 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.924 109.0 54.9 -58.6 -43.1 -55.2 40.0 39.5 324 325 A A H 3<5S+ 0 0 85 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.822 104.1 51.7 -65.0 -33.1 -53.7 38.5 36.4 325 326 A R T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.574 120.2-113.3 -72.9 -8.9 -50.2 38.4 37.9 326 327 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.616 73.6 139.0 83.9 14.0 -51.9 36.6 40.8 327 328 A K < - 0 0 127 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.342 65.6 -78.6 -83.2 165.7 -51.1 39.6 43.1 328 329 A P - 0 0 81 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.483 37.4-129.6 -64.7 138.5 -53.5 41.0 45.7 329 330 A V + 0 0 25 -2,-0.1 2,-0.3 -7,-0.1 -10,-0.1 -0.591 63.2 131.1 -89.5 75.0 -56.1 43.2 44.1 330 331 A R - 0 0 171 -2,-1.7 2,-0.2 -298,-0.1 -41,-0.0 -0.913 51.5-130.7-132.7 153.2 -55.5 46.1 46.5 331 332 A L - 0 0 17 -2,-0.3 -299,-0.2 -43,-0.1 -300,-0.1 -0.531 22.2-123.8 -98.4 169.4 -54.9 49.9 46.4 332 333 A R + 0 0 146 -301,-3.6 -300,-0.1 -2,-0.2 -301,-0.1 0.282 60.2 141.3 -94.6 8.5 -52.2 51.8 48.2 333 334 A L 0 0 66 -302,-0.3 -2,-0.1 0, 0.0 -41,-0.0 -0.212 360.0 360.0 -60.0 140.2 -54.6 54.0 50.0 334 335 A S 0 0 169 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.468 360.0 360.0 78.5 360.0 -53.7 54.9 53.6