==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-FEB-01 1GII . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.IKUTA,S.NISHIMURA . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 1 0 2 0 0 0 1 0 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 1 2 1 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 1 A M > 0 0 63 0, 0.0 3,-1.4 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 171.0 4.7 -2.4 40.4 2 2 A E T 3 + 0 0 145 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.714 360.0 62.3 -67.4 -24.4 4.1 -6.2 40.2 3 3 A N T 3 S+ 0 0 59 20,-0.1 21,-2.4 21,-0.1 22,-0.4 0.498 98.2 73.7 -81.0 -1.2 1.1 -5.8 37.8 4 4 A F E < -A 23 0A 21 -3,-1.4 2,-0.6 19,-0.2 19,-0.2 -0.948 61.7-158.7-123.4 132.4 3.4 -4.2 35.2 5 5 A Q E -A 22 0A 98 17,-2.2 17,-2.6 -2,-0.4 2,-0.3 -0.925 22.7-139.8-103.9 117.7 6.1 -5.7 33.0 6 6 A K E -A 21 0A 72 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.616 21.1-179.3 -77.9 135.4 8.5 -3.0 31.8 7 7 A V E - 0 0 57 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.735 60.7 -36.0-103.8 -33.4 9.5 -3.5 28.2 8 8 A E E -A 20 0A 126 12,-1.3 12,-3.0 0, 0.0 2,-0.6 -0.926 66.2 -77.0 178.8 160.1 11.9 -0.5 27.9 9 9 A K E -A 19 0A 106 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.533 32.0-173.0 -73.0 113.9 12.8 3.1 28.9 10 10 A I E - 0 0 81 8,-1.7 2,-0.3 -2,-0.6 9,-0.2 0.927 58.4 -75.6 -70.0 -47.4 10.6 5.5 26.9 11 11 A G E -A 18 0A 26 7,-1.7 7,-2.3 2,-0.0 -1,-0.2 -0.890 43.1-110.1 179.5-149.0 12.5 8.5 28.2 12 12 A E E -A 17 0A 117 5,-0.3 5,-0.3 -2,-0.3 2,-0.1 -0.725 19.3-168.7-177.9 121.8 12.8 10.6 31.3 13 13 A G - 0 0 36 3,-2.3 3,-0.4 -2,-0.2 5,-0.0 -0.137 49.1 -85.4 -98.1-162.2 11.9 14.1 32.3 14 14 A T S S+ 0 0 117 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.836 129.3 51.2 -75.3 -32.7 12.8 16.2 35.3 15 15 A Y S S- 0 0 83 1,-0.2 2,-0.2 20,-0.1 -1,-0.2 0.419 122.8 -58.2 -85.6 1.4 10.0 14.6 37.3 16 16 A G - 0 0 15 -3,-0.4 -3,-2.3 19,-0.2 2,-0.3 -0.835 57.3 -56.5 149.8 173.3 11.0 11.0 36.5 17 17 A V E -AB 12 34A 40 17,-1.0 17,-2.6 -5,-0.3 2,-0.4 -0.641 41.4-150.6 -88.8 142.1 11.7 8.0 34.3 18 18 A V E -AB 11 33A 22 -7,-2.3 -7,-1.7 -2,-0.3 -8,-1.7 -0.964 13.5-173.9-118.7 135.0 9.2 6.8 31.8 19 19 A Y E -AB 9 32A 57 13,-2.5 13,-3.3 -2,-0.4 2,-0.4 -0.950 27.3-127.4-125.6 149.6 8.8 3.2 30.6 20 20 A K E +AB 8 31A 56 -12,-3.0 -13,-3.0 -2,-0.3 -12,-1.3 -0.780 48.8 166.6 -90.8 135.0 6.7 1.4 28.0 21 21 A A E -AB 6 30A 0 9,-2.5 9,-3.1 -2,-0.4 2,-0.5 -0.973 37.6-120.9-149.8 163.8 5.1 -1.4 29.9 22 22 A R E -AB 5 29A 100 -17,-2.6 -17,-2.2 -2,-0.3 2,-1.0 -0.935 19.2-139.4-114.5 129.8 2.4 -4.0 29.8 23 23 A N E >> -A 4 0A 20 5,-2.7 4,-3.6 -2,-0.5 3,-1.9 -0.779 12.9-157.2 -85.2 101.6 -0.4 -4.0 32.4 24 24 A K T 34 S+ 0 0 137 -21,-2.4 -1,-0.2 -2,-1.0 -20,-0.1 0.758 87.6 58.3 -54.4 -24.3 -0.8 -7.7 33.1 25 25 A L T 34 S+ 0 0 125 -22,-0.4 -1,-0.3 1,-0.1 -21,-0.1 0.616 125.2 17.0 -84.0 -10.6 -4.4 -7.3 34.3 26 26 A T T <4 S- 0 0 90 -3,-1.9 -2,-0.2 2,-0.2 -1,-0.1 0.522 92.4-130.2-128.9 -20.1 -5.7 -5.7 31.1 27 27 A G < + 0 0 35 -4,-3.6 -3,-0.1 1,-0.3 -2,-0.0 0.259 61.0 139.8 82.8 -9.9 -2.9 -6.7 28.6 28 28 A E - 0 0 114 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.5 -0.218 54.3-125.8 -67.8 146.9 -2.8 -3.0 27.5 29 29 A V E +B 22 0A 35 -7,-0.2 46,-0.7 -3,-0.1 2,-0.3 -0.855 39.8 176.3 -90.7 144.9 0.6 -1.4 26.7 30 30 A V E -BC 21 74A 3 -9,-3.1 -9,-2.5 -2,-0.5 2,-0.6 -0.848 36.9-111.8-146.9 163.7 1.0 1.8 28.7 31 31 A A E -BC 20 73A 10 42,-2.7 42,-3.1 -2,-0.3 2,-0.6 -0.938 35.3-161.8-102.1 123.2 3.4 4.6 29.5 32 32 A L E -BC 19 72A 0 -13,-3.3 -13,-2.5 -2,-0.6 2,-0.6 -0.919 4.8-165.2-114.5 116.7 4.5 4.2 33.1 33 33 A K E -BC 18 71A 1 38,-2.8 38,-2.6 -2,-0.6 2,-0.7 -0.877 6.3-155.9-104.0 121.1 6.1 7.2 34.8 34 34 A K E BC 17 70A 63 -17,-2.6 -17,-1.0 -2,-0.6 36,-0.2 -0.867 360.0 360.0 -96.6 116.6 7.9 6.6 38.1 35 35 A I 0 0 57 34,-2.7 34,-0.5 -2,-0.7 -19,-0.2 -0.596 360.0 360.0 -79.8 360.0 8.0 9.9 40.1 36 ! 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 37 44 A V 0 0 64 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 115.8 4.6 11.8 48.7 38 45 A P >> - 0 0 85 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.230 360.0-140.0 -51.5 121.6 3.2 15.3 49.3 39 46 A S H 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.833 104.9 59.6 -51.8 -34.6 -0.5 15.1 50.0 40 47 A T H 3> S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.895 104.4 49.4 -61.8 -42.4 -0.8 18.3 48.0 41 48 A A H <> S+ 0 0 1 -3,-0.9 4,-2.8 2,-0.2 5,-0.3 0.948 106.8 53.4 -61.7 -52.7 0.7 16.4 45.0 42 49 A I H X S+ 0 0 34 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.886 112.1 47.7 -49.4 -43.0 -1.7 13.4 45.3 43 50 A R H X S+ 0 0 150 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.962 111.6 46.6 -62.9 -58.6 -4.6 15.9 45.2 44 51 A E H X S+ 0 0 53 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.841 112.7 51.5 -54.1 -40.7 -3.4 17.9 42.2 45 52 A I H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.4 0.930 101.6 59.4 -65.6 -43.1 -2.7 14.8 40.2 46 53 A S H X S+ 0 0 41 -4,-2.0 4,-0.6 -5,-0.3 3,-0.3 0.858 103.5 54.5 -55.5 -34.1 -6.1 13.3 40.9 47 54 A L H >X S+ 0 0 112 -4,-1.4 3,-1.4 1,-0.2 4,-0.8 0.919 102.1 55.1 -64.2 -47.3 -7.5 16.3 39.2 48 55 A L H 3< S+ 0 0 6 -4,-1.3 3,-0.4 -3,-0.4 11,-0.3 0.772 97.8 67.6 -57.0 -26.4 -5.5 15.7 36.1 49 56 A K H 3< S+ 0 0 58 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.814 98.7 49.0 -65.8 -31.3 -7.0 12.3 35.9 50 57 A E H << S+ 0 0 123 -3,-1.4 2,-0.9 -4,-0.6 -1,-0.2 0.714 84.9 100.4 -84.3 -16.5 -10.4 13.7 35.2 51 58 A L < + 0 0 18 -4,-0.8 2,-0.5 -3,-0.4 8,-0.3 -0.532 52.0 176.2 -73.0 103.4 -9.3 16.0 32.3 52 59 A N + 0 0 90 -2,-0.9 5,-0.1 6,-0.1 3,-0.0 -0.923 11.4 142.2-118.0 131.9 -10.1 14.2 29.1 53 60 A H > - 0 0 49 -2,-0.5 3,-1.9 3,-0.4 54,-0.0 -0.969 54.9-114.7-160.2 148.4 -9.7 15.5 25.6 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.782 114.9 48.5 -59.0 -26.0 -8.6 14.0 22.3 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.144 98.0 79.5-104.2 17.2 -5.4 16.1 22.2 56 63 A I B < S-e 136 0B 3 -3,-1.9 -3,-0.4 79,-0.3 2,-0.3 -0.990 86.7-114.0-123.5 130.9 -4.2 15.4 25.7 57 64 A V - 0 0 5 79,-2.8 2,-0.2 -2,-0.4 82,-0.1 -0.494 42.8-117.2 -60.6 120.1 -2.4 12.1 26.6 58 65 A K - 0 0 104 -2,-0.3 16,-2.2 -4,-0.1 2,-0.9 -0.484 11.2-139.1 -66.8 131.9 -4.8 10.3 29.0 59 66 A L E -D 73 0A 6 -11,-0.3 14,-0.3 -8,-0.3 3,-0.1 -0.856 24.1-176.8 -90.5 106.2 -3.8 9.7 32.6 60 67 A L E - 0 0 54 12,-1.7 2,-0.3 -2,-0.9 13,-0.2 0.915 56.1 -11.0 -71.3 -47.8 -5.1 6.2 33.1 61 68 A D E -D 72 0A 95 11,-2.0 11,-3.1 2,-0.0 2,-0.5 -0.995 49.1-139.8-157.1 159.4 -4.3 5.6 36.7 62 69 A V E -D 71 0A 32 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.985 16.6-165.3-124.9 119.9 -2.3 6.8 39.7 63 70 A I E -D 70 0A 26 7,-2.6 7,-2.3 -2,-0.5 2,-0.9 -0.924 8.0-179.5-112.5 106.8 -0.6 4.3 41.9 64 71 A H E +D 69 0A 86 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.890 27.4 155.4-103.2 101.5 0.5 5.7 45.3 65 72 A T E > -D 68 0A 43 3,-1.6 3,-1.4 -2,-0.9 -2,-0.1 -0.992 56.5 -6.7-139.8 138.8 2.1 2.6 46.8 66 73 A E T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.849 128.4 -57.1 48.4 40.2 4.8 1.9 49.5 67 74 A N T 3 S+ 0 0 131 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.781 116.9 111.8 62.6 33.2 5.3 5.7 49.6 68 75 A K E < - D 0 65A 108 -3,-1.4 -3,-1.6 -31,-0.1 2,-0.4 -0.880 58.0-138.8-127.3 161.3 6.1 5.8 45.9 69 76 A L E + D 0 64A 6 -34,-0.5 -34,-2.7 -2,-0.3 2,-0.4 -0.984 18.2 179.0-130.4 122.8 4.1 7.4 43.1 70 77 A Y E -CD 34 63A 37 -7,-2.3 -7,-2.6 -2,-0.4 2,-0.5 -0.962 13.6-154.3-119.9 138.6 3.6 6.0 39.6 71 78 A L E -CD 33 62A 1 -38,-2.6 -38,-2.8 -2,-0.4 2,-0.6 -0.944 6.6-156.1-111.3 132.0 1.5 7.6 36.8 72 79 A V E +CD 32 61A 4 -11,-3.1 -11,-2.0 -2,-0.5 -12,-1.7 -0.953 19.5 176.6-112.7 117.9 0.0 5.3 34.3 73 80 A F E -CD 31 59A 14 -42,-3.1 -42,-2.7 -2,-0.6 -14,-0.2 -0.745 38.0 -93.5-113.4 162.0 -0.7 7.0 31.0 74 81 A E E -C 30 0A 50 -16,-2.2 2,-0.4 -2,-0.3 -44,-0.2 -0.413 46.7-118.8 -70.1 149.6 -2.0 5.8 27.6 75 82 A H - 0 0 39 -46,-0.7 2,-0.4 -54,-0.1 -46,-0.1 -0.780 26.6-162.4 -93.4 141.5 0.9 4.9 25.3 76 83 A V - 0 0 13 -2,-0.4 52,-0.1 1,-0.1 53,-0.1 -0.971 22.7-120.6-126.6 139.5 1.2 6.9 22.0 77 84 A H S S- 0 0 97 -2,-0.4 2,-0.3 50,-0.1 52,-0.2 0.764 77.3 -1.7 -53.3 -41.6 3.3 5.6 19.1 78 85 A Q E -F 128 0B 34 50,-1.8 50,-2.5 203,-0.1 2,-0.3 -0.953 62.5-121.3-150.3 158.2 5.9 8.3 18.4 79 86 A D E > -F 127 0B 35 -2,-0.3 4,-1.5 48,-0.3 48,-0.3 -0.730 28.2-117.3 -98.8 161.5 7.0 11.7 19.6 80 87 A L H > S+ 0 0 0 46,-3.1 4,-2.9 43,-0.9 44,-0.2 0.856 109.7 61.4 -65.9 -34.7 7.2 14.9 17.4 81 88 A K H > S+ 0 0 51 42,-0.8 4,-2.4 45,-0.3 -1,-0.2 0.927 105.0 46.2 -59.5 -47.2 11.0 15.3 17.8 82 89 A T H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 113.5 49.9 -65.5 -34.4 11.8 11.8 16.2 83 90 A F H X S+ 0 0 4 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.907 110.0 50.9 -70.2 -39.0 9.3 12.6 13.4 84 91 A M H < S+ 0 0 20 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.915 111.9 47.0 -64.9 -41.5 11.0 16.0 12.8 85 92 A D H >< S+ 0 0 102 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.908 111.5 50.7 -66.1 -40.1 14.4 14.3 12.7 86 93 A A H 3< S+ 0 0 85 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.749 116.0 44.1 -67.3 -23.8 13.1 11.7 10.3 87 94 A S T >X S+ 0 0 13 -4,-1.4 4,-3.6 -3,-0.2 3,-0.7 0.274 79.0 108.4-103.4 8.1 11.7 14.5 8.2 88 95 A A T <4 S+ 0 0 48 -3,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.720 74.2 56.5 -61.8 -23.0 14.7 16.9 8.2 89 96 A L T 34 S+ 0 0 168 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.847 128.9 13.0 -77.4 -32.2 15.6 16.3 4.6 90 97 A T T <4 S- 0 0 112 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.1 0.547 102.6-131.3-117.5 -19.5 12.2 17.3 3.2 91 98 A G < - 0 0 9 -4,-3.6 89,-0.1 -7,-0.2 -3,-0.1 0.053 37.9 -63.5 81.6 160.6 10.6 18.9 6.1 92 99 A I - 0 0 14 87,-0.6 2,-0.1 1,-0.1 5,-0.1 -0.658 64.0-102.3 -80.1 136.7 7.1 18.2 7.3 93 100 A P >> - 0 0 57 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.357 27.2-120.6 -59.3 143.2 4.4 19.1 4.7 94 101 A L H 3> S+ 0 0 70 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.848 110.4 57.1 -52.8 -46.4 2.6 22.4 5.4 95 102 A P H 3> S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 178,-0.4 0.833 110.6 45.1 -57.1 -30.0 -0.9 20.8 5.6 96 103 A L H <> S+ 0 0 3 -3,-1.3 4,-2.7 2,-0.2 5,-0.2 0.853 110.9 52.6 -79.5 -39.7 0.4 18.5 8.4 97 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.968 112.7 46.6 -57.8 -45.0 2.2 21.4 10.2 98 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.863 112.0 48.9 -66.7 -38.6 -1.1 23.3 10.1 99 106 A S H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.946 113.4 47.9 -64.0 -47.6 -3.2 20.3 11.3 100 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.917 112.4 47.7 -61.7 -44.2 -0.8 19.6 14.2 101 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.933 112.3 50.9 -63.3 -45.4 -0.7 23.3 15.3 102 109 A F H X S+ 0 0 54 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.892 113.1 44.2 -56.0 -49.9 -4.5 23.5 15.1 103 110 A Q H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 111.2 53.4 -64.4 -41.7 -4.9 20.3 17.3 104 111 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.886 108.4 51.3 -62.3 -37.1 -2.3 21.5 19.8 105 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.867 107.0 52.9 -68.8 -35.2 -4.2 24.8 20.2 106 113 A Q H X S+ 0 0 67 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.930 111.9 46.9 -64.5 -39.0 -7.5 22.9 20.8 107 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.912 114.3 45.1 -67.8 -43.7 -5.7 20.9 23.5 108 115 A L H X S+ 0 0 2 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.922 111.1 53.5 -67.7 -41.5 -4.2 24.0 25.1 109 116 A A H X S+ 0 0 19 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.894 110.9 47.4 -58.3 -43.8 -7.4 25.9 24.9 110 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.944 115.8 44.2 -61.3 -52.4 -9.1 23.0 26.7 111 118 A C H ><>S+ 0 0 4 -4,-2.6 5,-2.2 1,-0.2 3,-1.0 0.924 112.6 51.3 -57.9 -50.5 -6.4 22.9 29.4 112 119 A H H ><5S+ 0 0 26 -4,-3.5 3,-2.2 1,-0.2 -1,-0.2 0.874 102.7 59.3 -56.9 -39.2 -6.2 26.7 29.8 113 120 A S H 3<5S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 107.9 47.3 -62.5 -22.9 -10.0 26.9 30.3 114 121 A H T <<5S- 0 0 79 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.182 120.9-112.4 -99.1 11.7 -9.5 24.6 33.3 115 122 A R T < 5S+ 0 0 196 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.855 72.7 138.4 59.8 36.4 -6.6 26.7 34.5 116 123 A V < - 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0 0 7 -4,-2.4 24,-0.2 24,-0.5 -1,-0.2 0.219 43.8 -70.8 93.9 144.2 14.7 43.3 19.8 204 221 A T - 0 0 21 22,-2.5 24,-0.1 -4,-0.1 2,-0.0 -0.560 62.8-119.7 -63.9 133.4 15.7 44.1 23.3 205 222 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.365 36.1 177.6 -76.8 158.6 12.3 44.8 25.0 206 223 A D > - 0 0 73 -2,-0.0 4,-2.6 7,-0.0 7,-0.2 -0.803 48.2 -81.1-142.1-174.5 11.6 48.2 26.7 207 224 A E T 4 S+ 0 0 81 -2,-0.2 6,-0.1 1,-0.2 0, 0.0 0.679 122.4 59.3 -69.0 -19.2 8.7 49.8 28.4 208 225 A V T 4 S+ 0 0 124 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.954 117.5 28.4 -74.1 -51.3 7.0 50.7 25.2 209 226 A V T 4 S+ 0 0 69 1,-0.2 44,-0.4 -3,-0.1 -2,-0.2 0.813 138.1 25.5 -81.4 -24.5 6.6 47.2 23.9 210 227 A W S >< S- 0 0 5 -4,-2.6 3,-2.5 42,-0.1 4,-0.3 -0.676 77.4-152.2-141.5 85.1 6.5 45.6 27.4 211 228 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.306 86.0 20.2 -58.8 131.2 5.2 47.8 30.2 212 229 A G T > S+ 0 0 28 4,-0.0 3,-2.1 -2,-0.0 -5,-0.1 0.164 86.3 119.9 94.3 -9.6 6.7 46.7 33.5 213 230 A V G X + 0 0 0 -3,-2.5 3,-1.6 1,-0.3 6,-0.1 0.827 68.5 58.0 -57.8 -37.0 9.6 44.8 31.9 214 231 A T G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -4,-0.3 -7,-0.0 0.463 103.4 54.0 -74.4 -4.3 12.2 47.0 33.6 215 232 A S G < S+ 0 0 99 -3,-2.1 -1,-0.3 5,-0.0 -2,-0.2 0.144 77.9 121.8-113.8 19.3 10.9 46.1 37.0 216 233 A M S X S- 0 0 35 -3,-1.6 3,-1.9 1,-0.1 -57,-0.1 -0.608 77.2-108.6 -75.1 146.0 11.1 42.3 36.5 217 234 A P T 3 S+ 0 0 81 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.783 113.6 31.6 -45.2 -44.0 13.3 40.5 39.2 218 235 A D T 3 S+ 0 0 84 -60,-2.6 2,-0.3 2,-0.1 -59,-0.1 0.219 85.9 122.3-103.6 8.3 16.2 39.7 36.8 219 236 A Y < - 0 0 32 -3,-1.9 3,-0.0 -61,-0.4 -5,-0.0 -0.606 43.8-162.7 -67.5 140.0 16.0 42.5 34.4 220 237 A K > - 0 0 108 -2,-0.3 3,-2.0 1,-0.1 -2,-0.1 -0.992 23.4-142.3-128.1 130.8 19.3 44.5 34.2 221 238 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.799 101.4 68.6 -57.4 -27.2 19.6 48.0 32.7 222 239 A S T 3 + 0 0 104 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.423 68.7 123.8 -76.2 1.6 23.0 46.8 31.4 223 240 A F S < S- 0 0 14 -3,-2.0 -19,-0.0 1,-0.1 -4,-0.0 -0.369 71.7-104.3 -59.8 142.9 21.4 44.4 28.9 224 241 A P - 0 0 57 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.205 29.6-123.1 -67.0 158.6 22.6 45.1 25.3 225 242 A K + 0 0 164 -3,-0.1 2,-0.4 -22,-0.0 -25,-0.0 -0.899 34.2 176.6-109.6 109.2 20.2 46.9 23.0 226 243 A W - 0 0 81 -2,-0.7 -22,-2.5 -27,-0.0 2,-0.2 -0.856 26.8-122.0-109.5 149.3 19.5 45.0 19.8 227 244 A A - 0 0 77 -2,-0.4 -24,-0.5 -24,-0.2 2,-0.2 -0.539 34.9-100.6 -84.9 154.1 17.0 46.0 17.1 228 245 A R - 0 0 115 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.505 33.1-137.5 -76.7 139.7 14.2 43.7 16.1 229 246 A Q - 0 0 81 -28,-3.2 2,-0.3 -2,-0.2 -1,-0.1 -0.519 26.1-100.1 -92.4 161.0 14.6 41.6 12.9 230 247 A D >> - 0 0 102 -2,-0.2 3,-1.4 1,-0.1 4,-1.1 -0.675 21.5-133.8 -83.0 141.1 11.9 41.1 10.3 231 248 A F H 3> S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.3 -1,-0.1 0.703 102.8 69.8 -64.7 -25.1 10.0 37.7 10.5 232 249 A S H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.797 104.6 44.6 -63.2 -26.5 10.3 37.2 6.7 233 250 A K H <4 S+ 0 0 149 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.829 114.9 48.9 -82.8 -32.5 14.0 36.7 7.5 234 251 A V H < S+ 0 0 32 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.884 122.9 21.8 -77.9 -40.2 13.3 34.4 10.5 235 252 A V S >< S- 0 0 0 -4,-2.8 3,-2.8 3,-0.1 -1,-0.2 -0.192 82.3-169.5-126.2 46.1 10.7 32.0 9.1 236 253 A P T 3 + 0 0 78 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.523 69.8 28.0 -67.9 147.3 10.9 31.7 5.3 237 254 A P T 3 S+ 0 0 119 0, 0.0 -5,-0.1 0, 0.0 2,-0.1 -0.756 85.8 119.8-100.3 33.5 8.9 30.3 3.6 238 255 A L < - 0 0 5 -3,-2.8 -3,-0.1 1,-0.1 5,-0.0 -0.370 65.1-120.0 -59.8 129.8 6.0 30.8 6.0 239 256 A D > - 0 0 66 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.155 29.0 -96.4 -64.3 170.3 3.2 32.8 4.3 240 257 A E H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.808 124.0 52.8 -64.0 -34.4 2.0 36.1 5.6 241 258 A D H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.942 112.0 47.0 -65.7 -41.9 -1.0 34.6 7.5 242 259 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.870 112.6 49.7 -65.7 -40.1 1.4 32.2 9.2 243 260 A R H X S+ 0 0 64 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.833 109.7 50.5 -67.9 -37.1 3.8 35.0 10.0 244 261 A S H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.927 112.1 46.5 -69.4 -42.7 1.1 37.2 11.5 245 262 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.966 113.7 50.0 -62.2 -47.7 -0.2 34.4 13.7 246 263 A L H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.6 0.875 106.6 54.1 -56.9 -43.1 3.4 33.6 14.8 247 264 A S H 3< S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.896 108.3 51.3 -63.0 -33.1 4.2 37.2 15.6 248 265 A Q H 3< S+ 0 0 72 -4,-1.8 10,-2.3 -3,-0.3 3,-0.4 0.705 107.8 50.4 -73.3 -24.4 1.2 37.2 17.9 249 266 A M H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.6 -76,-0.2 0.649 112.8 49.7 -81.6 -22.8 2.3 34.1 19.7 250 267 A L S < S+ 0 0 1 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.132 75.2 136.8-105.9 18.7 5.7 35.7 20.2 251 268 A H - 0 0 64 -3,-0.4 6,-0.2 1,-0.1 5,-0.1 -0.424 54.8-135.0 -62.0 139.5 4.6 39.1 21.6 252 269 A Y S S+ 0 0 12 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.947 87.3 73.8 -64.5 -46.5 6.9 40.0 24.5 253 270 A D S >> S- 0 0 16 -44,-0.4 3,-2.4 1,-0.2 4,-1.4 -0.572 75.2-146.8 -74.7 118.4 4.1 41.2 26.8 254 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.791 98.7 57.8 -55.3 -29.1 2.1 38.1 28.1 255 272 A N T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.693 108.9 43.2 -76.7 -17.7 -1.0 40.2 28.1 256 273 A K T <4 S+ 0 0 103 -3,-2.4 -1,-0.2 2,-0.1 3,-0.1 0.628 87.9 108.7 -99.0 -17.9 -0.8 41.0 24.4 257 274 A R S < S- 0 0 14 -4,-1.4 -8,-0.2 -6,-0.2 -9,-0.1 -0.350 81.7-102.7 -58.7 136.4 0.2 37.4 23.4 258 275 A I - 0 0 21 -10,-2.3 2,-0.2 -13,-0.2 -1,-0.1 -0.265 33.7-124.2 -61.8 141.3 -2.7 35.7 21.5 259 276 A S > - 0 0 61 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.592 22.1-113.1 -82.2 161.5 -4.8 33.1 23.6 260 277 A A H > S+ 0 0 2 1,-0.2 4,-1.1 -2,-0.2 -151,-0.1 0.938 117.4 54.4 -61.1 -37.0 -5.1 29.5 22.3 261 278 A K H >> S+ 0 0 158 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.911 109.5 42.7 -62.8 -50.3 -8.8 30.2 21.8 262 279 A A H >4 S+ 0 0 53 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.846 108.0 61.2 -65.0 -35.9 -8.4 33.3 19.6 263 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.792 93.0 66.5 -62.3 -25.4 -5.6 31.6 17.7 264 281 A L H << S+ 0 0 41 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.808 101.6 48.3 -67.2 -24.5 -8.2 28.9 16.6 265 282 A A T << S+ 0 0 89 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.404 83.3 125.6 -97.6 6.4 -10.1 31.5 14.6 266 283 A H S X S- 0 0 19 -3,-1.2 3,-2.0 -4,-0.3 4,-0.1 -0.307 72.5-118.5 -65.7 141.6 -7.0 33.0 12.8 267 284 A P G > S+ 0 0 72 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.721 107.4 76.7 -51.8 -24.3 -7.2 33.1 9.0 268 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.800 94.8 48.5 -56.0 -32.4 -4.2 30.8 8.9 269 286 A F G X S+ 0 0 9 -3,-2.0 3,-1.8 -6,-0.2 -1,-0.3 0.278 77.1 105.7 -93.2 4.1 -6.4 27.9 9.8 270 287 A Q T < S+ 0 0 162 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.839 89.5 36.1 -53.4 -39.8 -9.1 28.6 7.1 271 288 A D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.002 84.9 146.8-103.1 27.0 -7.9 25.7 5.0 272 289 A V < + 0 0 41 -3,-1.8 2,-0.2 -174,-0.1 -176,-0.1 -0.366 16.4 168.3 -63.6 151.5 -7.0 23.2 7.7 273 290 A T - 0 0 84 -178,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.771 39.7-111.1-145.8 178.8 -7.5 19.5 7.0 274 291 A K - 0 0 122 -2,-0.2 -178,-0.1 -175,-0.0 -141,-0.1 -0.742 37.5-174.8-126.4 84.1 -6.4 16.4 8.8 275 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.284 26.5-117.7 -71.4 155.5 -3.7 14.6 6.6 276 293 A V - 0 0 107 -2,-0.0 -145,-0.1 1,-0.0 -146,-0.1 -0.874 31.9-123.1 -99.2 132.6 -2.3 11.2 7.7 277 294 A P - 0 0 11 0, 0.0 2,-1.0 0, 0.0 -145,-0.0 -0.340 9.4-123.3 -74.4 165.2 1.4 11.2 8.4 278 295 A H + 0 0 116 -2,-0.1 2,-0.3 2,-0.0 -148,-0.0 -0.738 49.7 169.7-104.8 77.4 4.0 9.0 6.7 279 296 A L - 0 0 17 -2,-1.0 2,-0.6 -149,-0.1 -196,-0.0 -0.774 32.8-154.9-110.8 146.4 5.5 7.3 9.8 280 297 A R 0 0 194 -2,-0.3 -2,-0.0 -197,-0.0 -194,-0.0 -0.934 360.0 360.0-113.8 112.5 7.8 4.4 10.6 281 298 A L 0 0 97 -2,-0.6 -203,-0.1 -203,-0.0 -204,-0.0 -0.668 360.0 360.0 -88.8 360.0 7.4 2.8 14.0