==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUL-03 1PXO . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WANG,C.MEADES,G.WOOD,A.OSNOWSKI,S.ANDERSON,R.YUILL, . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.2 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 . 39 13.3 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 . 2 0.7 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 2 0 1 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 1 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 1 A M > 0 0 61 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.4 26.5 -20.7 12.8 2 2 A E T 3 + 0 0 149 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.849 360.0 58.0 -62.7 -37.8 26.5 -24.4 13.8 3 3 A N T 3 S+ 0 0 80 20,-0.1 21,-3.6 21,-0.1 22,-0.4 0.544 103.9 66.8 -71.7 -5.9 24.3 -23.8 16.9 4 4 A F E < -A 23 0A 18 -3,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.947 63.2-157.5-124.9 141.6 21.6 -22.4 14.6 5 5 A Q E -A 22 0A 98 17,-2.2 17,-2.4 -2,-0.4 2,-0.2 -0.961 23.7-132.8-113.6 118.4 19.4 -23.8 11.9 6 6 A K E +A 21 0A 111 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.481 23.9 179.0 -72.3 139.8 18.1 -21.3 9.3 7 7 A V E - 0 0 80 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.751 61.6 -27.6-107.7 -40.6 14.4 -21.7 8.6 8 8 A E E -A 20 0A 100 12,-1.3 12,-3.1 0, 0.0 2,-0.5 -0.939 60.8 -99.1-174.2 151.6 13.8 -18.8 6.1 9 9 A K E +A 19 0A 95 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.700 38.0 170.1 -81.2 124.3 15.0 -15.4 5.0 10 10 A I E + 0 0 75 8,-2.4 2,-0.3 -2,-0.5 9,-0.2 0.442 57.5 27.5-113.9 -3.9 12.8 -12.8 6.5 11 11 A G E -A 18 0A 20 7,-1.7 7,-2.1 2,-0.0 2,-0.3 -1.000 44.8-166.9-159.9 157.2 14.7 -9.7 5.7 12 12 A E E +A 17 0A 55 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.896 36.9 131.2-146.3 109.2 17.2 -7.9 3.5 13 13 A G - 0 0 22 3,-1.9 143,-0.7 -2,-0.3 144,-0.4 -0.590 66.6 -74.5-139.5-158.4 18.8 -4.6 4.6 14 14 A T S S+ 0 0 19 1,-0.2 140,-0.1 -2,-0.2 3,-0.1 0.858 123.6 53.5 -76.2 -38.5 22.0 -2.5 5.0 15 15 A Y S S- 0 0 16 1,-0.3 21,-3.0 20,-0.1 2,-0.3 0.691 122.1-101.9 -70.5 -18.1 23.2 -4.5 8.0 16 16 A G E - B 0 35A 2 19,-0.2 -3,-1.9 17,-0.0 -1,-0.3 -0.882 59.3 -19.6 132.0-163.9 22.9 -7.6 6.0 17 17 A V E -AB 12 34A 10 17,-0.5 17,-1.9 -2,-0.3 2,-0.4 -0.554 50.3-150.1 -84.7 146.8 20.5 -10.6 5.6 18 18 A V E -AB 11 33A 27 -7,-2.1 -8,-2.4 -2,-0.2 -7,-1.7 -0.972 15.0-174.0-119.7 128.8 18.0 -11.6 8.4 19 19 A Y E -AB 9 32A 50 13,-2.9 13,-3.5 -2,-0.4 2,-0.5 -0.921 27.8-127.8-124.3 147.3 16.9 -15.2 8.9 20 20 A K E +AB 8 31A 40 -12,-3.1 -13,-3.3 -2,-0.3 -12,-1.3 -0.790 48.3 171.7 -85.6 133.2 14.3 -16.8 11.1 21 21 A A E -AB 6 30A 0 9,-3.0 9,-2.9 -2,-0.5 2,-0.5 -0.927 34.0-124.9-143.4 167.0 16.3 -19.6 12.8 22 22 A R E -AB 5 29A 113 -17,-2.4 -17,-2.2 -2,-0.3 2,-0.7 -0.967 24.3-127.7-118.5 130.5 16.1 -22.2 15.5 23 23 A N E > -A 4 0A 19 5,-3.1 4,-2.1 -2,-0.5 -19,-0.2 -0.650 15.4-146.0 -75.3 113.2 18.7 -22.4 18.3 24 24 A K T 4 S+ 0 0 111 -21,-3.6 -1,-0.2 -2,-0.7 -20,-0.1 0.789 94.1 35.6 -49.6 -32.7 19.9 -26.0 18.3 25 25 A L T 4 S+ 0 0 140 -22,-0.4 -1,-0.1 1,-0.1 -21,-0.0 0.942 123.7 32.6 -86.8 -77.7 20.3 -25.9 22.1 26 26 A T T 4 S- 0 0 91 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.720 93.9-135.5 -54.9 -22.7 17.5 -23.8 23.7 27 27 A G < + 0 0 32 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.443 55.8 145.1 78.5 -1.4 15.2 -24.9 20.9 28 28 A E - 0 0 111 -6,-0.1 -5,-3.1 -5,-0.1 2,-0.5 -0.295 51.1-127.1 -71.4 153.4 14.0 -21.3 20.7 29 29 A V E +B 22 0A 33 -7,-0.2 50,-0.6 -3,-0.1 2,-0.3 -0.884 39.7 169.5-101.1 129.7 13.0 -19.6 17.4 30 30 A V E -BC 21 78A 3 -9,-2.9 -9,-3.0 -2,-0.5 2,-0.6 -0.844 40.4-111.2-136.7 171.1 14.9 -16.4 16.8 31 31 A A E -BC 20 77A 13 46,-2.6 46,-2.4 -2,-0.3 2,-0.5 -0.894 36.7-159.6 -99.7 127.3 15.6 -13.7 14.3 32 32 A L E -BC 19 76A 4 -13,-3.5 -13,-2.9 -2,-0.6 2,-0.5 -0.914 8.1-168.1-118.6 121.6 19.3 -13.9 13.2 33 33 A K E -BC 18 75A 8 42,-2.5 42,-2.9 -2,-0.5 2,-0.6 -0.940 7.0-158.0-106.4 119.1 21.1 -11.0 11.5 34 34 A K E -BC 17 74A 44 -17,-1.9 -17,-0.5 -2,-0.5 40,-0.2 -0.914 28.8-128.0 -98.7 135.8 24.5 -11.7 9.9 35 35 A I E B 16 0A 15 38,-3.5 38,-0.4 -2,-0.6 -19,-0.2 -0.418 360.0 360.0-102.1 146.2 26.1 -8.5 9.8 36 36 A R 0 0 134 -21,-3.0 -1,-0.1 -2,-0.2 36,-0.0 -0.901 360.0 360.0-115.1 360.0 27.8 -6.8 6.8 37 ! 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 38 41 A T 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 38.8 -6.0 4.5 39 42 A E - 0 0 158 1,-0.0 2,-0.2 0, 0.0 0, 0.0 0.089 360.0-110.4 -74.5-168.2 39.2 -5.9 8.2 40 43 A G - 0 0 25 1,-0.2 31,-0.1 32,-0.0 32,-0.1 -0.537 69.5 -54.1-132.8 71.4 37.4 -8.2 10.7 41 44 A V - 0 0 36 -2,-0.2 -1,-0.2 32,-0.0 2,-0.1 0.849 65.8-107.5 63.8 111.9 34.8 -6.3 12.8 42 45 A P > - 0 0 70 0, 0.0 4,-1.6 0, 0.0 3,-0.3 -0.369 16.5-126.7 -70.0 144.9 36.1 -3.1 14.6 43 46 A S H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 109.2 59.3 -57.9 -39.6 36.5 -3.2 18.4 44 47 A T H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 104.3 50.5 -57.6 -42.6 34.3 -0.0 18.7 45 48 A A H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.896 108.8 52.7 -63.0 -40.5 31.4 -1.9 17.1 46 49 A I H X S+ 0 0 38 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.936 111.5 43.6 -62.4 -48.9 31.8 -4.8 19.5 47 50 A R H X S+ 0 0 142 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.915 113.8 51.7 -64.2 -42.3 31.7 -2.7 22.6 48 51 A E H X S+ 0 0 59 -4,-2.3 4,-1.9 -5,-0.2 3,-0.4 0.944 112.4 44.2 -59.3 -50.5 28.8 -0.6 21.4 49 52 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.887 108.5 59.1 -62.5 -38.4 26.6 -3.6 20.5 50 53 A S H < S+ 0 0 41 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.852 107.2 47.3 -59.0 -35.3 27.5 -5.3 23.8 51 54 A L H >< S+ 0 0 117 -4,-1.6 3,-1.8 -3,-0.4 4,-0.4 0.894 106.5 56.0 -73.1 -41.1 26.0 -2.3 25.6 52 55 A L H >< S+ 0 0 24 -4,-1.9 3,-1.5 1,-0.3 11,-0.3 0.813 96.1 67.6 -59.9 -30.3 22.9 -2.3 23.5 53 56 A K T 3< S+ 0 0 61 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.724 93.4 59.9 -62.1 -22.3 22.4 -5.9 24.6 54 57 A E T < S+ 0 0 139 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.3 0.638 79.7 104.6 -82.4 -15.8 21.8 -4.6 28.1 55 58 A L < - 0 0 26 -3,-1.5 2,-0.5 -4,-0.4 8,-0.4 -0.547 48.2-179.7 -72.2 121.6 18.8 -2.5 27.1 56 59 A N + 0 0 97 -2,-0.4 5,-0.1 6,-0.1 -2,-0.0 -0.984 15.4 141.3-127.7 122.1 15.5 -4.1 28.2 57 60 A H > - 0 0 41 -2,-0.5 3,-1.9 3,-0.4 5,-0.1 -0.963 53.3-123.3-156.1 140.4 12.1 -2.6 27.4 58 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.720 112.9 49.8 -59.9 -19.4 8.8 -4.2 26.5 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.4 48,-0.1 2,-0.4 0.184 97.9 78.5-107.3 19.3 8.6 -2.0 23.3 60 63 A I B < S-e 140 0B 13 -3,-1.9 2,-0.5 79,-0.3 -3,-0.4 -0.993 87.4-115.3-126.7 129.8 12.2 -2.8 22.1 61 64 A V - 0 0 9 79,-2.6 81,-0.2 -2,-0.4 82,-0.2 -0.525 42.5-120.1 -65.0 116.9 13.0 -6.0 20.3 62 65 A K - 0 0 66 -2,-0.5 16,-2.2 1,-0.1 2,-1.0 -0.375 9.7-137.4 -66.5 131.3 15.4 -7.6 22.7 63 66 A L E -D 77 0A 8 -8,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.812 25.3-176.4 -88.0 106.3 19.0 -8.4 21.4 64 67 A L E - 0 0 52 12,-2.1 2,-0.3 -2,-1.0 13,-0.2 0.942 56.7 -0.0 -71.8 -54.2 19.4 -11.9 22.9 65 68 A D E -D 76 0A 79 11,-1.5 11,-3.0 2,-0.0 2,-0.5 -0.990 51.4-147.4-143.5 151.4 23.0 -12.7 22.0 66 69 A V E -D 75 0A 28 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.975 19.1-168.2-117.5 117.5 26.0 -11.3 20.2 67 70 A I E -D 74 0A 28 7,-2.9 7,-2.4 -2,-0.5 2,-0.8 -0.906 9.6-178.2-114.8 110.1 28.1 -13.8 18.4 68 71 A H E +D 73 0A 88 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.878 26.7 150.7-104.7 99.5 31.5 -12.7 17.1 69 72 A T E > +D 72 0A 55 3,-1.6 3,-2.5 -2,-0.8 -2,-0.1 -0.983 58.5 5.4-135.5 146.2 33.0 -15.8 15.4 70 73 A E T 3 S- 0 0 157 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.880 128.1 -64.0 51.8 39.4 35.4 -16.4 12.5 71 74 A N T 3 S+ 0 0 110 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.717 116.9 116.9 57.3 22.2 35.8 -12.6 12.5 72 75 A K E < - D 0 69A 89 -3,-2.5 -3,-1.6 -32,-0.1 2,-0.5 -0.806 59.5-134.1-115.6 158.4 32.1 -12.4 11.5 73 76 A L E + D 0 68A 3 -38,-0.4 -38,-3.5 -2,-0.3 2,-0.4 -0.960 20.1 178.6-122.8 127.4 29.3 -10.8 13.5 74 77 A Y E -CD 34 67A 42 -7,-2.4 -7,-2.9 -2,-0.5 2,-0.5 -0.986 12.6-155.8-125.7 131.6 25.8 -12.4 14.1 75 78 A L E -CD 33 66A 0 -42,-2.9 -42,-2.5 -2,-0.4 2,-0.7 -0.934 4.9-154.3-111.2 126.6 23.1 -10.8 16.2 76 79 A V E -CD 32 65A 0 -11,-3.0 -12,-2.1 -2,-0.5 -11,-1.5 -0.884 19.3-179.6-103.2 114.5 20.4 -12.9 17.8 77 80 A F E -CD 31 63A 18 -46,-2.4 -46,-2.6 -2,-0.7 -14,-0.2 -0.786 35.9 -97.5-112.6 155.2 17.1 -11.1 18.4 78 81 A E E -C 30 0A 49 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.1 -0.363 50.2-116.3 -63.9 151.5 13.8 -12.2 19.9 79 82 A F - 0 0 42 -50,-0.6 2,-0.4 -49,-0.0 -1,-0.1 -0.792 30.8-178.1-102.5 135.4 11.4 -13.2 17.1 80 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.974 25.2-135.1-125.2 142.4 8.1 -11.5 16.2 81 84 A H S S+ 0 0 99 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.695 76.8 24.6 -73.9 -22.6 5.8 -12.8 13.4 82 85 A Q E -F 132 0B 22 50,-1.1 50,-2.5 213,-0.1 2,-0.3 -0.986 61.2-141.0-145.4 154.5 4.8 -9.7 11.5 83 86 A D E > -F 131 0B 30 -2,-0.3 4,-1.9 48,-0.2 48,-0.3 -0.716 32.9-110.3-108.4 164.4 6.0 -6.1 10.9 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.5 43,-0.9 5,-0.2 0.826 113.8 62.2 -63.6 -32.4 3.9 -3.0 10.6 85 88 A K H > S+ 0 0 72 42,-0.7 4,-2.0 45,-0.3 -1,-0.2 0.946 108.4 41.0 -58.3 -50.2 4.5 -2.7 6.9 86 89 A K H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 113.0 55.5 -66.0 -39.0 2.8 -6.0 6.2 87 90 A F H X S+ 0 0 9 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.883 109.0 46.8 -62.1 -39.3 0.0 -5.3 8.7 88 91 A M H X S+ 0 0 20 -4,-2.5 4,-0.5 2,-0.2 3,-0.3 0.895 109.4 53.0 -70.3 -39.8 -0.9 -2.0 7.0 89 92 A D H >< S+ 0 0 98 -4,-2.0 3,-1.0 1,-0.2 4,-0.2 0.928 110.4 49.0 -59.2 -43.0 -0.9 -3.6 3.5 90 93 A A H 3< S+ 0 0 79 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.735 116.0 43.1 -67.3 -24.0 -3.3 -6.2 4.9 91 94 A S H 3X S+ 0 0 16 -4,-0.9 4,-3.7 -3,-0.3 3,-0.3 0.317 80.7 108.3-103.7 6.2 -5.4 -3.4 6.4 92 95 A A T << S+ 0 0 49 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.728 78.5 50.5 -56.1 -25.4 -5.3 -1.1 3.3 93 96 A L T 4 S+ 0 0 164 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.881 128.5 15.9 -82.8 -41.3 -8.9 -1.8 2.5 94 97 A T T 4 S- 0 0 119 -3,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.674 103.0-131.9-104.7 -24.8 -10.6 -1.1 5.8 95 98 A G < - 0 0 11 -4,-3.7 -3,-0.1 -7,-0.2 99,-0.1 0.082 31.8 -68.4 86.7 155.8 -7.8 0.8 7.6 96 99 A I - 0 0 13 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.689 58.4-107.4 -82.0 130.7 -6.4 0.3 11.1 97 100 A P >> - 0 0 84 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.268 26.1-120.1 -56.8 141.4 -9.0 1.2 13.8 98 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.883 110.7 58.3 -52.2 -44.8 -8.0 4.4 15.5 99 102 A P H 3> S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 188,-0.4 0.859 109.4 45.2 -56.0 -34.7 -7.8 2.8 19.0 100 103 A L H <> S+ 0 0 8 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.874 112.0 51.1 -76.0 -38.5 -5.2 0.4 17.6 101 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.959 112.3 47.8 -61.0 -47.9 -3.3 3.2 15.9 102 105 A K H X S+ 0 0 16 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.895 111.4 50.1 -59.4 -43.3 -3.3 5.1 19.2 103 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.941 112.3 47.0 -61.5 -47.8 -2.1 2.1 21.2 104 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.935 113.2 48.1 -61.2 -46.6 0.7 1.4 18.8 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 111.7 50.5 -59.4 -43.7 1.8 5.1 18.7 106 109 A F H X S+ 0 0 53 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.916 113.2 45.4 -61.2 -45.5 1.7 5.2 22.5 107 110 A Q H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.904 111.2 52.3 -66.2 -42.8 3.8 2.1 22.9 108 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.888 108.6 51.4 -62.0 -37.8 6.3 3.2 20.2 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.853 107.2 52.9 -67.6 -34.2 6.7 6.5 22.1 110 113 A Q H X S+ 0 0 59 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.935 110.1 49.5 -65.4 -42.4 7.4 4.6 25.3 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.911 113.5 44.4 -61.2 -44.1 10.1 2.7 23.5 112 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.8 2,-0.2 5,-0.3 0.910 110.1 55.5 -66.8 -42.9 11.7 5.8 22.1 113 116 A A H X S+ 0 0 18 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.928 110.5 46.1 -55.4 -47.4 11.5 7.6 25.5 114 117 A F H X S+ 0 0 43 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.960 117.0 42.3 -59.2 -55.7 13.4 4.7 27.0 115 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-1.1 0.923 114.7 50.8 -59.0 -47.5 16.1 4.5 24.3 116 119 A H H ><5S+ 0 0 25 -4,-3.8 3,-1.8 1,-0.3 -1,-0.2 0.839 102.2 60.5 -61.3 -34.4 16.4 8.3 24.1 117 120 A S H 3<5S+ 0 0 77 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.757 107.2 47.1 -65.4 -22.2 16.8 8.6 27.9 118 121 A H T <<5S- 0 0 76 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.277 121.0-112.5 -98.8 8.3 19.9 6.4 27.4 119 122 A R T < 5S+ 0 0 179 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.782 74.1 136.7 66.3 27.3 21.1 8.6 24.6 120 123 A V < - 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