==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-APR-13 4KBC . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU . 565 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 19 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 4 0 0 2 0 0 1 2 2 0 1 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 4 2 0 3 4 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 . 2 2 0 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 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 E 0 0 210 0, 0.0 2,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.1 -21.0 0.5 62.9 2 3 A L + 0 0 119 8,-0.1 8,-2.3 4,-0.0 2,-0.3 -0.760 360.0 160.2 -81.8 103.8 -18.7 -0.6 59.9 3 4 A R E -A 9 0A 100 -2,-1.0 2,-0.4 6,-0.2 6,-0.2 -0.827 38.7-142.6-125.0 162.1 -19.3 2.5 57.7 4 5 A V E >> S+A 8 0A 11 4,-1.6 4,-2.7 -2,-0.3 3,-2.2 -0.959 93.1 8.3-123.2 140.5 -17.7 4.4 54.8 5 6 A G T 34 S- 0 0 21 -2,-0.4 -1,-0.1 1,-0.3 62,-0.0 0.642 121.5 -84.2 62.5 14.3 -17.7 8.2 54.6 6 7 A N T 34 S+ 0 0 128 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.636 128.1 63.5 63.9 19.6 -19.1 7.8 58.2 7 8 A R T <4 S+ 0 0 104 -3,-2.2 18,-3.0 1,-0.2 2,-0.7 0.546 76.8 77.7-141.0 -28.0 -22.6 7.3 56.6 8 9 A Y E < -AB 4 24A 7 -4,-2.7 -4,-1.6 16,-0.2 16,-0.2 -0.886 68.4-139.9-107.7 108.9 -22.8 4.2 54.4 9 10 A R E -AB 3 23A 123 14,-2.8 14,-1.6 -2,-0.7 2,-0.4 -0.442 25.9-122.6 -60.6 128.1 -23.2 0.9 56.2 10 11 A L E + B 0 22A 39 -8,-2.3 12,-0.2 12,-0.2 -8,-0.1 -0.707 38.4 174.1 -83.8 127.0 -21.0 -1.8 54.5 11 12 A G E - 0 0 32 10,-3.0 11,-0.1 -2,-0.4 -1,-0.1 -0.190 39.9 -27.6-112.3-159.3 -22.8 -4.9 53.3 12 13 A R E - 0 0 203 8,-0.1 9,-2.8 -2,-0.1 2,-0.4 -0.261 60.2-115.7 -58.1 142.4 -22.1 -8.0 51.2 13 14 A K E + B 0 20A 90 7,-0.3 7,-0.3 1,-0.1 3,-0.1 -0.646 34.8 177.0 -75.9 127.9 -19.3 -8.0 48.6 14 15 A I E + 0 0 101 5,-3.1 2,-0.3 -2,-0.4 6,-0.2 0.585 62.4 23.4-109.6 -19.5 -21.1 -8.5 45.2 15 16 A G E B 0 19A 27 4,-1.8 4,-2.8 0, 0.0 -1,-0.3 -0.990 360.0 360.0-151.6 142.9 -18.1 -8.2 42.8 16 17 A S 0 0 124 -2,-0.3 4,-0.0 2,-0.2 -3,-0.0 -0.739 360.0 360.0 -94.3 360.0 -14.3 -8.7 43.0 17 ! 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 18 22 A D 0 0 65 0, 0.0 17,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.7 -14.2 -4.6 44.7 19 23 A I E -BC 15 34A 56 -4,-2.8 -5,-3.1 15,-0.2 -4,-1.8 -0.915 360.0-179.7-115.8 130.6 -18.0 -3.8 44.9 20 24 A Y E -BC 13 33A 32 13,-2.8 13,-2.9 -2,-0.4 -7,-0.3 -0.887 31.1-111.7-122.4 157.9 -20.2 -4.1 48.0 21 25 A L E + C 0 32A 61 -9,-2.8 -10,-3.0 -2,-0.3 2,-0.3 -0.512 44.4 179.8 -78.2 152.0 -23.8 -3.5 48.9 22 26 A G E -BC 10 31A 1 9,-2.0 9,-2.7 -12,-0.2 2,-0.4 -0.972 24.3-141.7-150.5 164.0 -24.3 -0.5 51.2 23 27 A T E -BC 9 30A 18 -14,-1.6 -14,-2.8 -2,-0.3 2,-0.7 -0.981 18.7-133.1-135.2 123.6 -27.0 1.5 53.0 24 28 A D E > -B 8 0A 0 5,-3.2 4,-2.5 -2,-0.4 -16,-0.2 -0.643 18.5-158.8 -70.9 110.7 -27.0 5.3 53.4 25 29 A I T 4 S+ 0 0 68 -18,-3.0 -1,-0.2 -2,-0.7 -17,-0.1 0.791 87.2 53.5 -66.9 -28.3 -27.8 5.5 57.2 26 30 A A T 4 S+ 0 0 78 -19,-0.3 -1,-0.2 1,-0.1 -18,-0.0 0.981 125.4 19.9 -70.0 -56.9 -29.1 9.1 56.8 27 31 A A T 4 S- 0 0 58 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.665 94.5-127.1 -83.6 -29.2 -31.7 8.5 54.0 28 32 A G < + 0 0 52 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.305 61.3 147.5 88.2 -5.9 -32.1 4.7 54.4 29 33 A E - 0 0 105 -5,-0.1 -5,-3.2 -6,-0.1 -1,-0.3 -0.315 50.8-117.6 -67.3 141.4 -31.3 4.4 50.6 30 34 A E E +C 23 0A 85 -7,-0.2 50,-1.4 -3,-0.1 2,-0.3 -0.598 39.0 177.6 -80.1 134.5 -29.5 1.4 49.1 31 35 A V E -CD 22 79A 0 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.4 -0.854 28.9-124.6-132.7 172.6 -26.1 2.1 47.5 32 36 A A E -CD 21 78A 17 46,-3.0 46,-3.1 -2,-0.3 2,-0.5 -0.964 24.6-154.2-120.5 134.3 -23.1 0.3 45.8 33 37 A I E -CD 20 77A 0 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.5 -0.955 4.0-161.7-115.6 125.1 -19.7 0.8 47.3 34 38 A K E -CD 19 76A 46 42,-3.2 42,-1.9 -2,-0.5 2,-0.4 -0.922 10.4-165.6-108.2 128.2 -16.5 0.5 45.3 35 39 A L E - D 0 75A 14 -17,-2.6 2,-0.4 -2,-0.5 40,-0.2 -0.926 8.8-172.1-116.1 138.0 -13.2 0.0 47.2 36 40 A E E - D 0 74A 28 38,-2.4 38,-3.0 -2,-0.4 2,-0.1 -0.997 33.1-115.7-128.0 121.5 -9.6 0.4 45.9 37 41 A C E > - D 0 73A 54 -2,-0.4 3,-1.8 36,-0.2 36,-0.3 -0.402 19.1-139.6 -57.0 125.3 -6.7 -0.7 48.1 38 42 A V T 3 S+ 0 0 54 34,-3.1 -1,-0.2 1,-0.3 35,-0.1 0.813 102.3 59.4 -57.7 -29.6 -4.7 2.6 48.8 39 43 A K T 3 S+ 0 0 163 33,-0.4 -1,-0.3 3,-0.0 -2,-0.1 0.156 77.9 132.7 -85.8 16.0 -1.5 0.5 48.3 40 44 A T < - 0 0 58 -3,-1.8 -4,-0.0 1,-0.1 0, 0.0 -0.401 64.0-124.6 -69.8 149.5 -2.4 -0.6 44.7 41 45 A K S S+ 0 0 186 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.898 100.2 28.5 -58.8 -47.6 0.4 -0.2 42.0 42 46 A H S S- 0 0 154 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.860 81.4-145.2-124.0 95.4 -1.7 2.0 39.6 43 47 A P + 0 0 83 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.394 33.8 153.6 -63.0 130.7 -4.4 4.2 41.3 44 48 A Q > + 0 0 90 -2,-0.1 4,-2.8 3,-0.1 5,-0.2 0.529 50.3 80.1-129.2 -27.1 -7.5 4.6 39.1 45 49 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.880 94.7 47.2 -62.8 -43.7 -10.5 5.3 41.5 46 50 A H H > S+ 0 0 125 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.891 115.2 47.3 -64.4 -39.8 -9.9 9.1 42.0 47 51 A I H > S+ 0 0 99 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.946 113.0 48.6 -64.3 -48.1 -9.4 9.6 38.2 48 52 A E H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.869 106.3 56.9 -60.4 -40.3 -12.6 7.5 37.5 49 53 A S H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.855 104.2 54.1 -56.7 -40.6 -14.6 9.6 40.2 50 54 A K H X S+ 0 0 108 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.879 108.0 49.0 -63.7 -40.4 -13.6 12.8 38.2 51 55 A I H X S+ 0 0 7 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.953 111.4 48.6 -65.3 -48.5 -15.1 11.3 35.0 52 56 A Y H >X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 3,-0.6 0.913 110.5 52.3 -55.9 -46.2 -18.3 10.3 36.7 53 57 A K H >< S+ 0 0 124 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.902 108.3 49.6 -57.5 -44.6 -18.6 13.8 38.2 54 58 A M H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.4 51.3 -65.7 -24.8 -18.1 15.4 34.7 55 59 A M H X< S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.6 -1,-0.2 0.571 81.3 128.0 -86.8 -17.6 -20.9 13.1 33.4 56 60 A Q T << + 0 0 54 -3,-0.9 3,-0.1 -4,-0.8 7,-0.1 -0.092 66.0 31.0 -48.9 135.6 -23.5 14.0 36.1 57 61 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.2 4,-0.3 2,-0.2 0.184 88.2 124.8 98.4 -16.3 -26.9 15.0 34.9 58 62 A G S X S- 0 0 11 -3,-1.7 3,-1.6 1,-0.1 -1,-0.4 -0.507 74.2 -95.2 -76.2 146.3 -26.8 12.8 31.7 59 63 A V T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 55,-0.1 -0.399 110.2 8.4 -59.5 129.5 -29.6 10.3 31.1 60 64 A G T 3 S+ 0 0 5 1,-0.2 83,-2.1 82,-0.1 -1,-0.3 0.741 92.5 130.6 68.2 25.9 -28.5 6.9 32.4 61 65 A I < - 0 0 9 -3,-1.6 -4,-0.3 81,-0.2 -1,-0.2 -0.961 60.9-122.6-105.8 119.4 -25.4 8.2 34.2 62 66 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.340 24.5-110.8 -64.1 149.1 -25.4 6.8 37.7 63 67 A T - 0 0 65 -7,-0.1 16,-2.0 -6,-0.1 2,-0.6 -0.654 21.1-142.9 -80.2 129.2 -25.2 9.4 40.6 64 68 A I E +E 78 0A 4 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.864 20.7 179.6 -92.1 118.2 -21.9 9.4 42.6 65 69 A R E - 0 0 65 12,-2.6 2,-0.3 -2,-0.6 13,-0.2 0.706 59.8 -1.2 -91.5 -33.9 -22.8 10.1 46.2 66 70 A W E +E 77 0A 109 11,-1.3 11,-3.2 2,-0.0 -1,-0.3 -0.976 53.3 179.0-159.2 149.7 -19.4 10.0 47.9 67 71 A C E +E 76 0A 51 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 27.0 107.3-155.6 141.5 -15.7 9.6 47.3 68 72 A G E -E 75 0A 32 7,-2.2 7,-3.6 -2,-0.3 2,-0.5 -0.952 60.3 -78.0 172.1 176.1 -12.6 9.7 49.5 69 73 A A E +E 74 0A 76 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.884 40.6 173.4-103.4 131.2 -9.8 7.8 51.2 70 74 A E E > -E 73 0A 73 3,-3.1 3,-2.2 -2,-0.5 -32,-0.1 -0.964 57.7 -50.9-142.1 116.6 -10.6 6.0 54.5 71 75 A G T 3 S- 0 0 72 -2,-0.4 -33,-0.0 1,-0.3 -1,-0.0 -0.308 125.7 -6.7 57.1-122.6 -8.1 3.8 56.2 72 76 A D T 3 S+ 0 0 104 -3,-0.1 -34,-3.1 -34,-0.1 -33,-0.4 0.407 124.9 70.2 -84.1 1.2 -6.6 1.3 53.7 73 77 A Y E < -DE 37 70A 92 -3,-2.2 -3,-3.1 -36,-0.3 2,-0.4 -0.931 66.2-138.4-130.3 152.7 -9.0 2.2 50.9 74 78 A N E -DE 36 69A 38 -38,-3.0 -38,-2.4 -2,-0.3 2,-0.4 -0.840 41.6-155.1 -90.5 130.0 -10.0 4.8 48.3 75 79 A V E -DE 35 68A 4 -7,-3.6 -7,-2.2 -2,-0.4 2,-0.4 -0.920 22.1-179.8-118.3 140.1 -13.9 4.7 48.4 76 80 A M E -DE 34 67A 7 -42,-1.9 -42,-3.2 -2,-0.4 2,-0.5 -0.990 11.6-159.8-138.1 127.4 -16.6 5.7 45.8 77 81 A V E -DE 33 66A 0 -11,-3.2 -12,-2.6 -2,-0.4 -11,-1.3 -0.947 12.7-179.8-112.3 128.5 -20.3 5.4 46.6 78 82 A M E -DE 32 64A 25 -46,-3.1 -46,-3.0 -2,-0.5 -14,-0.2 -0.908 37.6 -92.5-123.4 156.0 -22.8 5.2 43.8 79 83 A E E -D 31 0A 41 -16,-2.0 2,-0.2 -2,-0.3 -48,-0.2 -0.325 55.3-100.2 -59.9 146.1 -26.7 4.9 43.8 80 84 A L - 0 0 38 -50,-1.4 54,-0.2 -58,-0.1 2,-0.2 -0.537 45.8-172.1 -73.0 136.0 -27.7 1.2 43.6 81 85 A L - 0 0 20 -2,-0.2 52,-0.2 1,-0.2 3,-0.1 -0.642 22.3-100.1-116.9 178.4 -28.7 -0.0 40.1 82 86 A G - 0 0 14 50,-3.0 -1,-0.2 1,-0.2 52,-0.1 0.035 59.6 -52.0 -83.9-166.9 -30.2 -3.3 38.8 83 87 A P - 0 0 59 0, 0.0 49,-2.4 0, 0.0 -1,-0.2 -0.278 58.9-106.9 -70.1 161.0 -28.5 -6.2 37.1 84 88 A S B > -F 131 0B 9 47,-0.2 4,-2.5 1,-0.1 47,-0.3 -0.370 28.1-109.6 -78.9 165.5 -26.2 -5.8 34.1 85 89 A L H > S+ 0 0 0 45,-2.1 4,-2.5 42,-1.1 43,-0.2 0.809 122.5 55.7 -66.7 -26.5 -27.2 -6.8 30.5 86 90 A E H > S+ 0 0 22 41,-0.7 4,-2.4 44,-0.3 -1,-0.2 0.939 108.5 46.2 -69.5 -45.1 -24.7 -9.7 30.9 87 91 A D H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 116.2 46.5 -60.3 -45.2 -26.5 -10.9 34.0 88 92 A L H X S+ 0 0 14 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.897 109.7 53.2 -67.0 -39.0 -29.8 -10.5 32.2 89 93 A F H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 6,-0.5 0.926 112.8 43.6 -61.3 -46.6 -28.6 -12.3 29.1 90 94 A N H ><5S+ 0 0 74 -4,-2.4 3,-1.8 3,-0.2 -2,-0.2 0.904 111.0 55.5 -65.7 -37.4 -27.4 -15.3 31.2 91 95 A F H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.2 50.1 -60.7 -35.6 -30.7 -15.2 33.1 92 96 A C T ><5S- 0 0 14 -4,-1.8 3,-0.9 -3,-0.2 -1,-0.3 0.038 125.4-104.5 -88.3 18.6 -32.6 -15.4 29.7 93 97 A S T < 5 - 0 0 106 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.796 68.9 -65.4 59.3 33.8 -30.4 -18.5 28.7 94 98 A R T 3 - 0 0 48 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.471 30.8-105.9 -76.3 160.0 -35.5 -11.7 21.0 98 102 A L H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 119.9 57.8 -53.9 -43.6 -35.0 -9.1 18.2 99 103 A K H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 107.9 45.0 -54.1 -51.0 -37.5 -6.7 20.1 100 104 A T H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.6 53.1 -60.7 -43.9 -35.3 -6.7 23.3 101 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.911 112.2 45.7 -59.1 -41.8 -32.1 -6.2 21.2 102 106 A L H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.876 110.8 51.1 -69.7 -41.5 -33.7 -3.2 19.4 103 107 A L H X S+ 0 0 21 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.900 116.0 43.3 -61.0 -41.8 -35.0 -1.6 22.7 104 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.3 0.925 109.5 56.1 -69.3 -45.6 -31.5 -2.0 24.2 105 109 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.864 103.3 56.1 -53.7 -44.5 -29.7 -0.7 21.0 106 110 A D H X S+ 0 0 39 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.907 114.6 36.7 -56.8 -47.4 -31.7 2.5 21.1 107 111 A Q H X S+ 0 0 17 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.872 114.0 56.1 -75.9 -38.1 -30.6 3.4 24.6 108 112 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.899 106.1 50.7 -64.0 -39.2 -27.0 2.1 24.3 109 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.936 112.1 48.4 -61.4 -45.8 -26.3 4.3 21.2 110 114 A S H X S+ 0 0 30 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.828 109.2 52.4 -63.0 -37.7 -27.6 7.4 23.2 111 115 A R H X S+ 0 0 17 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.922 112.4 45.0 -64.4 -44.5 -25.4 6.5 26.3 112 116 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.918 112.4 52.2 -64.1 -44.3 -22.3 6.3 24.1 113 117 A E H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.878 108.2 51.7 -58.4 -44.0 -23.3 9.5 22.3 114 118 A Y H X S+ 0 0 43 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.928 108.6 49.3 -60.4 -46.9 -23.7 11.3 25.7 115 119 A I H ><>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-0.6 0.927 112.7 49.3 -56.4 -45.6 -20.2 10.2 26.9 116 120 A H H ><5S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.841 105.2 56.4 -62.7 -37.5 -18.8 11.5 23.5 117 121 A S H 3<5S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 104.2 55.0 -66.4 -24.1 -20.6 14.8 23.9 118 122 A K T <<5S- 0 0 87 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.087 125.9-105.2 -96.6 20.4 -18.7 15.1 27.3 119 123 A N T < 5S+ 0 0 23 -3,-1.7 33,-2.1 1,-0.2 34,-1.0 0.508 83.0 112.5 70.9 15.9 -15.4 14.7 25.4 120 124 A F E < -H 151 0C 13 -5,-1.9 2,-0.4 31,-0.3 31,-0.2 -0.846 53.8-149.3-117.2 154.7 -14.7 11.1 26.5 121 125 A I E -H 150 0C 0 29,-2.6 29,-1.9 -2,-0.3 67,-0.1 -0.922 12.9-147.9-111.7 141.8 -14.5 7.7 24.8 122 126 A H - 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