==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-DEC-11 3UZP . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 66.7 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 . 93 16.1 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 . 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 . 31 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 0 2 0 1 0 2 2 0 3 0 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 6 2 0 0 2 5 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 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 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 3 A L 0 0 102 0, 0.0 8,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-161.0 16.8 6.6 4.8 2 4 A R E -A 8 0A 95 6,-0.2 2,-0.4 4,-0.0 6,-0.2 -0.943 360.0-176.2-119.2 111.9 17.8 2.9 4.8 3 5 A V E > -A 7 0A 15 4,-1.5 4,-2.4 -2,-0.5 3,-0.2 -0.908 63.8 -6.5-116.5 140.7 17.8 1.0 8.1 4 6 A G T 4 S- 0 0 15 -2,-0.4 2,-3.7 1,-0.2 -1,-0.2 0.765 102.1 -94.1 57.1 32.7 18.9 -2.5 9.0 5 7 A N T 4 S+ 0 0 71 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.054 126.6 63.1 53.6 -38.1 19.5 -3.2 5.2 6 8 A R T 4 S+ 0 0 77 -2,-3.7 21,-2.0 -3,-0.2 22,-0.7 0.708 95.1 64.0 -88.7 -21.9 16.0 -4.6 5.1 7 9 A Y E < -AB 3 26A 7 -4,-2.4 -4,-1.5 19,-0.2 2,-0.5 -0.671 58.8-148.5-111.2 160.5 14.0 -1.5 6.0 8 10 A R E -AB 2 25A 82 17,-1.7 17,-1.7 -2,-0.2 2,-0.3 -0.986 27.7-129.7-119.1 126.9 13.2 1.9 4.6 9 11 A L E - B 0 24A 36 -8,-2.0 15,-0.2 -2,-0.5 2,-0.1 -0.604 26.4-170.5 -79.2 138.2 12.6 4.6 7.2 10 12 A G E - 0 0 33 13,-3.3 2,-0.1 -2,-0.3 14,-0.1 -0.189 36.3 -54.9-107.6-158.8 9.4 6.7 6.8 11 13 A R E - 0 0 119 294,-0.3 12,-2.7 1,-0.1 -1,-0.2 -0.433 63.7 -86.6 -83.9 160.5 8.2 9.8 8.5 12 14 A K E + B 0 22A 93 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.369 43.5 172.5 -61.8 136.7 7.8 10.3 12.3 13 15 A I E - 0 0 79 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.514 57.0 -40.3-125.3 -12.3 4.4 9.1 13.6 14 16 A G E - B 0 21A 28 7,-1.4 7,-2.5 2,-0.0 -1,-0.3 -0.977 52.6-105.3 176.4-166.1 4.7 9.4 17.3 15 17 A S E - B 0 20A 79 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.946 18.0-166.7-144.3 163.2 6.8 8.9 20.4 16 18 A G E > - B 0 19A 20 3,-2.4 3,-0.8 -2,-0.3 2,-0.5 -0.648 52.8 -59.2-134.3-169.9 7.0 6.4 23.2 17 19 A S T 3 S+ 0 0 37 -2,-0.2 132,-0.1 1,-0.2 131,-0.1 -0.698 124.2 6.0 -80.5 126.8 8.8 6.6 26.5 18 20 A F T 3 S+ 0 0 98 -2,-0.5 2,-0.3 28,-0.0 -1,-0.2 0.398 124.9 36.4 85.9 -1.0 12.6 6.9 25.7 19 21 A G E < S-B 16 0A 11 -3,-0.8 -3,-2.4 19,-0.1 2,-0.3 -0.976 73.1 -98.5-175.9 161.2 12.4 7.3 21.9 20 22 A D E -BC 15 37A 57 17,-1.1 17,-2.4 -2,-0.3 2,-0.4 -0.632 32.7-142.8 -88.8 143.2 10.9 8.5 18.6 21 23 A I E -BC 14 36A 30 -7,-2.5 -8,-2.5 -2,-0.3 -7,-1.4 -0.844 17.1-174.0-113.8 139.1 8.8 6.3 16.5 22 24 A Y E -BC 12 35A 53 13,-2.8 13,-3.2 -2,-0.4 -10,-0.2 -0.925 26.0-117.0-130.1 152.1 8.7 6.2 12.6 23 25 A L E + C 0 34A 12 -12,-2.7 -13,-3.3 -2,-0.3 2,-0.3 -0.545 46.1 159.6 -81.6 153.5 6.7 4.6 9.9 24 26 A G E -BC 9 33A 1 9,-2.1 9,-2.6 -15,-0.2 2,-0.4 -0.953 33.7-121.4-161.0 179.3 8.7 2.2 7.7 25 27 A T E -BC 8 32A 14 -17,-1.7 -17,-1.7 -2,-0.3 2,-1.2 -0.993 13.5-139.7-138.4 129.3 8.6 -0.7 5.3 26 28 A D E >> -BC 7 31A 1 5,-3.7 5,-1.9 -2,-0.4 4,-1.3 -0.778 26.2-170.2 -82.9 101.4 10.3 -4.1 5.5 27 29 A I T 45S+ 0 0 5 -21,-2.0 3,-0.2 -2,-1.2 -1,-0.2 0.911 78.1 52.5 -62.8 -44.0 11.2 -4.1 1.8 28 30 A A T 45S+ 0 0 11 -22,-0.7 -1,-0.2 1,-0.2 545,-0.1 0.811 120.5 32.6 -64.4 -30.6 12.3 -7.7 1.7 29 31 A A T 45S- 0 0 42 -23,-0.2 395,-0.3 2,-0.1 -1,-0.2 0.512 103.5-121.5-106.3 -5.8 9.1 -9.0 3.2 30 32 A G T <5 + 0 0 9 -4,-1.3 394,-2.5 -3,-0.2 2,-0.4 0.950 64.9 138.8 64.3 50.3 6.6 -6.5 1.8 31 33 A E E < -C 26 0A 47 -5,-1.9 -5,-3.7 392,-0.2 2,-0.4 -0.966 52.7-132.7-130.0 141.3 5.5 -5.5 5.3 32 34 A E E -C 25 0A 22 -2,-0.4 50,-1.4 -7,-0.2 2,-0.3 -0.762 37.0-176.7 -89.6 141.7 4.7 -2.1 6.8 33 35 A V E -CD 24 81A 0 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.4 -0.860 30.4-127.4-137.0 168.8 6.4 -1.5 10.1 34 36 A A E -CD 23 80A 15 46,-2.7 46,-3.0 -2,-0.3 2,-0.5 -0.954 28.6-158.8-113.7 133.8 6.8 0.9 13.1 35 37 A I E -CD 22 79A 0 -13,-3.2 -13,-2.8 -2,-0.4 2,-0.5 -0.964 6.7-158.4-122.8 126.5 10.4 1.7 14.0 36 38 A K E -CD 21 78A 16 42,-2.6 42,-1.9 -2,-0.5 2,-0.5 -0.882 12.7-159.8-102.8 127.4 11.6 3.0 17.3 37 39 A L E +CD 20 77A 15 -17,-2.4 -17,-1.1 -2,-0.5 2,-0.4 -0.911 12.2 177.7-112.8 129.2 15.0 4.8 17.3 38 40 A E E - D 0 76A 13 38,-2.6 38,-4.1 -2,-0.5 -19,-0.1 -0.993 33.4-116.0-129.7 127.9 17.2 5.4 20.3 39 41 A C E - D 0 75A 57 -2,-0.4 36,-0.3 36,-0.2 35,-0.1 -0.309 13.5-141.1 -55.0 140.1 20.6 7.1 20.2 40 42 A V S S+ 0 0 85 34,-2.1 -1,-0.2 1,-0.1 35,-0.1 0.647 84.4 83.7 -82.6 -0.6 23.3 4.7 21.2 41 43 A K + 0 0 145 33,-0.4 -1,-0.1 2,-0.0 34,-0.0 0.967 67.5 59.2 -54.9-103.5 24.8 7.8 23.0 42 44 A T S S- 0 0 78 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.495 89.4 -68.6 -53.9 167.2 23.8 8.9 26.4 43 45 A K S S+ 0 0 94 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.612 109.6 51.3 -8.0 -40.0 23.4 8.3 29.8 44 46 A H - 0 0 56 1,-0.0 2,-1.1 3,-0.0 3,-0.2 -0.929 52.2-166.3-135.9 124.8 20.7 5.7 29.3 45 47 A P > + 0 0 85 0, 0.0 4,-0.6 0, 0.0 -5,-0.1 -0.688 34.4 145.7 -97.9 81.2 20.3 2.6 27.2 46 48 A Q H >> + 0 0 16 -2,-1.1 4,-2.5 -28,-0.2 3,-0.8 0.925 57.2 66.7 -87.5 -41.2 16.7 2.0 27.5 47 49 A L H 3> S+ 0 0 1 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.882 102.9 49.8 -47.5 -38.8 15.7 0.6 24.0 48 50 A H H 3> S+ 0 0 91 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.867 111.0 45.6 -74.8 -30.0 17.8 -2.6 24.6 49 51 A I H XX S+ 0 0 121 -3,-0.8 4,-1.4 -4,-0.6 3,-0.5 0.931 113.3 51.3 -73.8 -44.7 16.4 -3.4 28.0 50 52 A E H 3X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.3 3,-0.3 0.907 103.9 59.4 -57.8 -42.2 12.9 -2.8 26.8 51 53 A S H 3X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.3 0.868 102.1 52.4 -57.7 -37.4 13.6 -5.1 23.8 52 54 A K H X S+ 0 0 10 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.934 110.2 49.2 -56.5 -49.0 9.1 -7.7 24.6 55 57 A K H 3< S+ 0 0 92 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.843 107.9 53.8 -61.2 -33.2 10.8 -10.9 23.6 56 58 A M H 3< S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.769 115.1 42.3 -70.9 -22.7 10.0 -12.4 27.1 57 59 A M H X< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.8 -2,-0.2 0.434 86.3 123.2 -99.6 -5.2 6.4 -11.4 26.3 58 60 A Q T 3< + 0 0 104 -4,-0.7 3,-0.1 -3,-0.4 7,-0.1 -0.254 69.2 34.1 -58.8 148.6 6.4 -12.6 22.6 59 61 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 4,-0.3 3,-0.1 0.014 87.8 117.6 96.6 -30.1 3.8 -15.1 22.0 60 62 A G S X S- 0 0 12 -3,-1.9 3,-1.3 1,-0.1 -1,-0.3 -0.315 79.1 -89.1 -69.7 156.9 1.2 -13.7 24.4 61 63 A V T 3 S+ 0 0 96 1,-0.2 -1,-0.1 -3,-0.1 55,-0.1 -0.478 109.6 7.1 -68.9 129.4 -2.1 -12.5 23.0 62 64 A G T 3 S+ 0 0 4 1,-0.2 83,-1.7 -2,-0.2 -1,-0.2 0.739 91.5 127.6 74.8 22.7 -1.9 -8.8 22.0 63 65 A I < - 0 0 6 -3,-1.3 -4,-0.3 81,-0.2 -1,-0.2 -0.964 64.1-116.5-110.6 120.4 1.8 -8.3 22.5 64 66 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 -0.317 24.4-125.5 -61.4 132.5 3.5 -6.8 19.5 65 67 A T - 0 0 40 -2,-0.1 16,-1.3 -7,-0.1 2,-0.5 -0.550 16.5-135.8 -76.4 138.7 6.1 -9.0 17.8 66 68 A I E -E 80 0A 17 -2,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.851 16.7-171.0 -95.2 129.1 9.5 -7.5 17.4 67 69 A R E - 0 0 111 12,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.812 68.5 -1.2 -88.2 -35.5 10.9 -8.2 13.9 68 70 A W E -E 79 0A 80 11,-1.1 11,-3.2 2,-0.1 2,-0.4 -0.947 52.2-172.3-160.2 135.2 14.4 -6.9 14.4 69 71 A C E +E 78 0A 25 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.938 37.8 116.3-124.6 144.3 16.4 -5.3 17.2 70 72 A G E -E 77 0A 16 7,-1.9 7,-4.1 -2,-0.4 2,-0.3 -0.967 56.0-104.9 175.6-176.2 19.9 -4.0 16.3 71 73 A A E +E 76 0A 56 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.931 32.2 176.1-131.4 152.5 21.9 -0.8 16.1 72 74 A E E > -E 75 0A 79 3,-3.2 3,-2.9 -2,-0.3 -2,-0.1 -0.938 57.2 -28.1-159.0 138.6 22.8 1.0 13.0 73 75 A G T 3 S- 0 0 71 -2,-0.3 -70,-0.0 1,-0.3 -33,-0.0 -0.306 130.0 -19.2 54.9-124.5 24.6 4.2 12.4 74 76 A D T 3 S+ 0 0 120 -3,-0.1 -34,-2.1 -35,-0.1 -33,-0.4 0.376 124.0 80.2 -94.9 3.9 23.9 6.4 15.4 75 77 A Y E < -DE 39 72A 99 -3,-2.9 -3,-3.2 -36,-0.3 2,-0.4 -0.893 64.2-144.2-125.6 145.8 20.8 4.5 16.6 76 78 A N E -DE 38 71A 19 -38,-4.1 -38,-2.6 -2,-0.4 2,-0.4 -0.764 41.7-163.0 -86.0 143.9 19.8 1.4 18.4 77 79 A V E -DE 37 70A 1 -7,-4.1 -7,-1.9 -2,-0.4 2,-0.4 -0.998 22.7-169.7-139.1 139.9 16.7 0.4 16.5 78 80 A M E -DE 36 69A 6 -42,-1.9 -42,-2.6 -2,-0.4 2,-0.5 -0.997 13.1-154.1-127.7 127.6 13.7 -1.9 17.1 79 81 A V E -DE 35 68A 0 -11,-3.2 -12,-2.8 -2,-0.4 -11,-1.1 -0.873 15.7-176.9-105.9 133.4 11.4 -2.8 14.4 80 82 A M E -DE 34 66A 24 -46,-3.0 -46,-2.7 -2,-0.5 -14,-0.2 -0.895 36.1 -92.5-128.7 154.9 7.8 -3.8 15.1 81 83 A E E -D 33 0A 34 -16,-1.3 -48,-0.2 -2,-0.3 2,-0.1 -0.391 56.9-101.6 -60.6 138.8 4.7 -4.9 13.2 82 84 A L - 0 0 21 -50,-1.4 2,-0.3 -58,-0.1 54,-0.2 -0.440 44.4-164.4 -66.0 137.7 2.7 -1.8 12.3 83 85 A L - 0 0 14 1,-0.2 52,-0.2 -2,-0.1 3,-0.1 -0.787 12.1-115.7-119.1 165.8 -0.3 -1.4 14.6 84 86 A G - 0 0 4 50,-2.5 -1,-0.2 -2,-0.3 52,-0.1 0.280 55.3 -32.1 -81.6-151.4 -3.5 0.7 14.3 85 87 A P - 0 0 5 0, 0.0 49,-2.7 0, 0.0 -1,-0.2 -0.238 60.1-117.4 -64.8 150.5 -5.0 3.7 16.2 86 88 A S B > -F 133 0B 4 47,-0.3 4,-2.7 1,-0.1 47,-0.3 -0.492 27.9-108.8 -86.1 162.8 -4.5 4.1 20.0 87 89 A L H > S+ 0 0 0 45,-2.4 4,-2.4 42,-1.2 43,-0.2 0.838 122.4 53.4 -62.5 -31.9 -7.5 4.0 22.3 88 90 A E H > S+ 0 0 31 41,-0.6 4,-2.2 44,-0.3 -1,-0.2 0.937 109.0 49.4 -67.0 -44.2 -7.1 7.7 22.9 89 91 A D H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.953 114.2 44.9 -56.5 -52.0 -7.2 8.3 19.1 90 92 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.868 107.7 58.0 -62.1 -36.9 -10.3 6.2 18.8 91 93 A F H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 6,-0.6 0.932 109.4 45.5 -60.2 -43.8 -11.9 7.9 21.8 92 94 A N H ><5S+ 0 0 74 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.906 110.0 54.0 -64.9 -41.0 -11.6 11.2 20.0 93 95 A F H 3<5S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 105.1 55.4 -62.7 -29.9 -12.9 9.7 16.8 94 96 A C T ><5S- 0 0 17 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.3 -0.038 127.5 -98.3 -92.1 29.2 -15.9 8.5 18.6 95 97 A S T < 5 - 0 0 107 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.831 69.4 -70.1 57.6 35.4 -16.7 12.0 19.9 96 98 A R T 3 - 0 0 45 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.375 30.3-110.1 -73.4 160.5 -21.0 3.1 24.7 100 102 A L H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.918 119.5 58.8 -60.0 -40.7 -21.1 0.8 27.8 101 103 A K H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 107.6 45.3 -52.7 -47.9 -20.8 -2.2 25.5 102 104 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.1 52.8 -63.1 -41.2 -17.5 -0.9 24.1 103 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.943 113.0 44.4 -59.5 -47.4 -16.2 -0.1 27.5 104 106 A L H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.870 111.9 51.1 -65.9 -38.2 -16.9 -3.6 28.7 105 107 A L H X S+ 0 0 12 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.835 113.8 46.5 -72.4 -24.1 -15.5 -5.2 25.6 106 108 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.899 108.6 55.0 -78.5 -41.9 -12.3 -3.1 26.1 107 109 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.881 103.7 56.8 -57.2 -40.6 -12.1 -3.9 29.9 108 110 A D H X S+ 0 0 41 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.941 114.1 36.2 -57.9 -52.1 -12.2 -7.6 29.0 109 111 A Q H X S+ 0 0 26 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.878 115.8 55.0 -71.3 -37.6 -9.1 -7.5 26.8 110 112 A M H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.904 105.8 50.7 -63.5 -43.8 -7.3 -4.9 28.9 111 113 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.890 111.5 50.2 -62.7 -36.2 -7.6 -6.9 32.1 112 114 A S H X S+ 0 0 33 -4,-1.2 4,-2.7 -5,-0.3 -2,-0.2 0.885 106.2 53.5 -71.0 -35.9 -6.1 -9.9 30.2 113 115 A R H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 112.4 45.5 -62.5 -43.4 -3.2 -7.9 28.8 114 116 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.925 111.8 51.2 -65.9 -44.4 -2.2 -6.8 32.3 115 117 A E H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 110.2 50.9 -59.6 -41.2 -2.7 -10.4 33.6 116 118 A Y H X S+ 0 0 44 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.947 110.3 47.2 -60.1 -50.7 -0.4 -11.7 30.8 117 119 A I H ><>S+ 0 0 1 -4,-2.2 5,-1.8 1,-0.2 3,-0.7 0.897 113.3 49.6 -57.8 -41.5 2.4 -9.1 31.5 118 120 A H H ><5S+ 0 0 2 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.877 102.7 61.4 -65.8 -35.9 2.1 -10.0 35.2 119 121 A S H 3<5S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.721 101.8 53.6 -63.5 -22.1 2.3 -13.7 34.5 120 122 A K T <<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.065 126.0-100.0-102.1 24.6 5.7 -13.1 33.0 121 123 A N T < 5S+ 0 0 25 -3,-1.9 33,-2.1 1,-0.2 34,-0.8 0.508 85.9 108.0 75.5 7.7 7.0 -11.3 36.1 122 124 A F E < -H 153 0C 15 -5,-1.8 2,-0.4 31,-0.2 31,-0.2 -0.800 52.2-150.9-117.9 160.3 6.6 -7.7 35.1 123 125 A I E -H 152 0C 0 29,-2.2 29,-1.8 -2,-0.3 67,-0.1 -0.957 13.2-145.6-121.2 142.8 4.4 -4.8 35.9 124 126 A H - 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