==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN KINASE 03-JUN-96 1HCL . COMPND 2 MOLECULE: HUMAN CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.SCHULZE-GAHMEN,H.L.DE BONDT,S.-H.KIM . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.3 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 . 40 13.6 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 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 4 0 0 1 0 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 . 1 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 49 0, 0.0 3,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 172.2 104.1 112.2 94.2 2 2 A E T 3 + 0 0 147 1,-0.2 22,-0.1 3,-0.1 0, 0.0 0.817 360.0 60.5 -67.5 -40.6 105.5 115.8 94.1 3 3 A N T 3 S+ 0 0 63 20,-0.1 21,-2.0 21,-0.1 22,-0.5 0.350 103.7 66.8 -72.0 8.8 108.6 115.3 92.1 4 4 A F E < -A 23 0A 13 -3,-0.9 2,-0.7 19,-0.2 19,-0.2 -0.993 66.6-152.7-136.7 131.0 106.3 114.1 89.3 5 5 A Q E -A 22 0A 95 17,-2.5 17,-2.6 -2,-0.4 2,-0.4 -0.908 26.2-135.5 -99.8 113.9 103.7 115.9 87.2 6 6 A K E -A 21 0A 86 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.617 23.4-178.2 -69.5 124.5 101.1 113.3 86.1 7 7 A V E - 0 0 65 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.810 60.8 -28.9 -93.2 -36.7 100.5 113.9 82.5 8 8 A E E -A 20 0A 108 12,-1.8 12,-2.7 0, 0.0 2,-0.6 -0.984 60.2 -95.2-172.8 160.8 97.8 111.2 82.1 9 9 A K E -A 19 0A 111 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.790 29.0-173.9 -86.4 121.0 96.4 107.8 83.2 10 10 A I E - 0 0 79 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.663 56.9 -54.2 -88.9 -19.1 97.8 105.1 80.9 11 11 A G E -A 18 0A 25 7,-1.6 7,-2.1 2,-0.0 2,-0.9 -0.932 47.2 -79.1 162.1 171.5 95.7 102.4 82.5 12 12 A E E -A 17 0A 71 -2,-0.3 5,-0.2 5,-0.2 145,-0.1 -0.844 53.6-173.5-102.3 92.0 94.2 100.2 85.2 13 13 A G - 0 0 23 3,-1.6 143,-0.4 -2,-0.9 144,-0.3 0.081 38.9 -96.3 -76.5-169.2 96.8 97.6 86.0 14 14 A T S S+ 0 0 22 141,-0.1 142,-0.7 1,-0.1 3,-0.1 0.934 121.9 29.6 -73.3 -47.2 96.9 94.5 88.2 15 15 A Y S S- 0 0 15 1,-0.2 21,-2.2 140,-0.1 2,-0.3 0.743 128.0 -56.9 -89.2 -26.4 98.5 96.3 91.1 16 16 A G S S- 0 0 6 19,-0.2 -3,-1.6 -5,-0.0 -1,-0.2 -0.975 78.8 -27.7 171.9-165.0 97.2 99.9 90.8 17 17 A V E -A 12 0A 22 -2,-0.3 17,-2.1 -5,-0.2 2,-0.4 -0.408 47.4-151.1 -74.8 152.2 97.0 102.9 88.5 18 18 A V E -AB 11 33A 18 -7,-2.1 -8,-2.4 15,-0.2 -7,-1.6 -0.995 16.8-175.2-126.0 126.8 99.7 103.5 85.9 19 19 A Y E -AB 9 32A 40 13,-2.5 13,-2.9 -2,-0.4 2,-0.5 -0.936 28.3-131.0-123.1 150.5 100.4 107.1 84.8 20 20 A K E +AB 8 31A 46 -12,-2.7 -13,-2.8 -2,-0.3 -12,-1.8 -0.838 46.6 168.9 -92.7 131.7 102.6 108.7 82.2 21 21 A A E -AB 6 30A 0 9,-2.2 9,-2.8 -2,-0.5 2,-0.5 -0.986 35.7-125.6-147.1 158.5 104.4 111.4 84.2 22 22 A R E -AB 5 29A 105 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.7 -0.923 23.1-131.6-110.7 123.2 107.3 113.8 83.9 23 23 A N E > -A 4 0A 11 5,-3.0 4,-2.9 -2,-0.5 -19,-0.2 -0.629 14.3-150.6 -72.2 115.3 110.0 113.8 86.5 24 24 A K T 4 S+ 0 0 130 -21,-2.0 -1,-0.2 -2,-0.7 -20,-0.1 0.697 91.1 45.2 -62.3 -21.4 110.3 117.4 87.4 25 25 A L T 4 S+ 0 0 121 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.906 126.1 25.3 -90.2 -45.5 114.0 117.0 88.3 26 26 A T T 4 S- 0 0 96 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.725 93.7-137.1 -87.7 -23.5 115.4 114.9 85.4 27 27 A G < + 0 0 32 -4,-2.9 2,-0.2 1,-0.3 -3,-0.1 0.460 56.0 140.7 79.3 2.8 112.7 116.1 83.0 28 28 A E - 0 0 112 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.4 -0.527 54.9-125.0 -81.9 141.2 112.3 112.5 81.8 29 29 A V E +B 22 0A 27 -7,-0.2 50,-0.7 -2,-0.2 2,-0.3 -0.714 42.0 173.6 -83.5 138.4 108.9 111.0 81.0 30 30 A V E -BC 21 78A 4 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.6 -0.883 39.3-106.9-144.1 164.0 108.4 107.9 82.9 31 31 A A E -BC 20 77A 12 46,-3.5 46,-3.3 -2,-0.3 2,-0.5 -0.925 35.8-163.1 -98.3 119.0 105.8 105.2 83.7 32 32 A L E -BC 19 76A 0 -13,-2.9 -13,-2.5 -2,-0.6 2,-0.5 -0.929 4.6-169.2-108.6 117.4 104.7 105.7 87.4 33 33 A K E -BC 18 75A 35 42,-2.8 42,-2.5 -2,-0.5 2,-0.5 -0.948 11.0-153.6-113.2 121.7 102.9 102.8 89.0 34 34 A K E - C 0 74A 38 -17,-2.1 2,-0.5 -2,-0.5 40,-0.2 -0.814 21.5-140.5 -88.5 129.2 101.1 103.2 92.3 35 35 A I E C 0 73A 7 38,-2.8 38,-0.5 -2,-0.5 -19,-0.2 -0.861 360.0 360.0-101.6 133.1 101.0 99.8 94.0 36 36 A R 0 0 162 -21,-2.2 -19,-0.2 -2,-0.5 -2,-0.1 -0.252 360.0 360.0 48.8 360.0 98.0 98.6 96.0 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 0 157 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.8 97.2 98.0 103.9 39 42 A E - 0 0 197 32,-0.0 32,-0.0 0, 0.0 0, 0.0 0.506 360.0 -61.3-120.6 -6.3 99.4 97.9 107.0 40 43 A G S S- 0 0 26 31,-0.1 31,-0.1 2,-0.0 32,-0.1 0.641 84.9 -73.2 125.2 37.3 102.5 99.9 106.1 41 44 A V - 0 0 34 30,-0.2 2,-0.1 1,-0.1 5,-0.1 0.939 53.5-100.9 45.9 112.6 104.2 97.9 103.3 42 45 A P >> - 0 0 84 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.307 18.9-140.6 -60.7 125.3 106.0 94.6 104.0 43 46 A S H 3> S+ 0 0 62 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.761 101.4 63.7 -55.5 -29.4 109.8 94.9 104.2 44 47 A T H 3> S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.922 103.3 45.9 -63.2 -44.7 110.0 91.6 102.3 45 48 A A H <> S+ 0 0 2 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.836 108.8 58.7 -66.2 -32.9 108.4 93.1 99.2 46 49 A I H X S+ 0 0 41 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.906 108.8 43.7 -63.3 -41.1 110.7 96.1 99.7 47 50 A R H X S+ 0 0 149 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.878 111.3 53.0 -72.8 -38.0 113.7 93.8 99.4 48 51 A E H >X S+ 0 0 64 -4,-2.2 3,-1.3 1,-0.2 4,-1.1 0.976 113.2 43.8 -59.8 -54.0 112.3 91.8 96.5 49 52 A I H >X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.3 3,-0.6 0.893 107.2 58.3 -59.3 -43.3 111.7 95.0 94.5 50 53 A S H 3< S+ 0 0 35 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.641 103.0 55.6 -65.8 -10.7 115.1 96.6 95.3 51 54 A L H XX S+ 0 0 105 -3,-1.3 3,-1.3 -4,-0.7 4,-0.7 0.803 100.9 57.2 -86.4 -33.2 116.8 93.5 93.8 52 55 A L H << S+ 0 0 12 -4,-1.1 11,-0.3 -3,-0.6 3,-0.2 0.745 91.2 71.8 -67.2 -24.2 115.0 94.0 90.5 53 56 A K T 3< S+ 0 0 65 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.752 100.2 49.8 -62.2 -23.4 116.4 97.6 90.4 54 57 A E T <4 S+ 0 0 135 -3,-1.3 2,-1.3 -4,-0.1 -1,-0.2 0.773 86.4 82.4 -90.4 -32.3 119.7 95.8 89.6 55 58 A L < + 0 0 24 -4,-0.7 2,-0.4 -3,-0.2 8,-0.1 -0.636 60.0 173.4 -84.1 98.3 118.9 93.4 86.8 56 59 A N + 0 0 76 -2,-1.3 5,-0.1 6,-0.1 -3,-0.0 -0.816 7.5 158.9-104.7 140.7 119.1 95.5 83.7 57 60 A H > - 0 0 44 3,-0.4 3,-2.0 -2,-0.4 54,-0.0 -0.950 49.7-114.5-156.8 145.8 118.9 94.1 80.1 58 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.705 118.1 49.7 -57.1 -21.5 118.0 95.9 76.8 59 62 A N T 3 S+ 0 0 12 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.200 97.0 81.6-106.8 18.3 114.9 93.7 76.6 60 63 A I B < S-e 140 0B 9 -3,-2.0 -3,-0.4 79,-0.3 2,-0.4 -0.988 86.9-115.6-125.3 126.0 113.6 94.4 80.1 61 64 A V - 0 0 8 79,-2.6 82,-0.2 -2,-0.4 2,-0.2 -0.498 44.1-117.7 -61.0 116.1 111.6 97.5 81.0 62 65 A K - 0 0 100 -2,-0.4 16,-2.3 -4,-0.1 2,-0.9 -0.399 10.9-140.3 -66.2 130.5 114.0 99.3 83.4 63 66 A L E +D 77 0A 9 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.820 25.2 178.9 -88.5 102.5 112.9 100.0 87.0 64 67 A L E - 0 0 50 12,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.932 57.5 -4.1 -73.2 -48.6 114.3 103.5 87.5 65 68 A D E -D 76 0A 82 11,-1.6 11,-3.1 2,-0.0 2,-0.5 -0.969 48.7-146.2-148.3 160.7 113.2 104.2 91.0 66 69 A V E -D 75 0A 35 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.997 18.7-165.1-129.7 120.2 111.2 102.8 94.0 67 70 A I E +D 74 0A 24 7,-3.3 7,-2.6 -2,-0.5 2,-0.7 -0.927 15.4 172.1-114.9 107.3 109.5 105.4 96.1 68 71 A H E +D 73 0A 80 -2,-0.6 2,-0.4 5,-0.2 3,-0.3 -0.817 24.2 156.8-111.7 81.3 108.2 104.3 99.5 69 72 A T E > -D 72 0A 49 3,-0.8 3,-2.1 -2,-0.7 -2,-0.1 -0.881 63.2 -1.8-109.8 142.3 107.2 107.7 100.8 70 73 A E T 3 S- 0 0 164 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.869 129.8 -57.1 43.8 54.4 104.6 108.1 103.6 71 74 A N T 3 S+ 0 0 103 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.725 114.7 115.1 52.0 28.9 104.0 104.3 103.8 72 75 A K E < - D 0 69A 71 -3,-2.1 -3,-0.8 -32,-0.1 2,-0.5 -0.911 57.7-138.0-124.7 151.9 103.0 104.2 100.1 73 76 A L E +CD 35 68A 6 -38,-0.5 -38,-2.8 -2,-0.3 2,-0.4 -0.956 22.2 170.9-118.7 122.3 104.8 102.4 97.3 74 77 A Y E -CD 34 67A 38 -7,-2.6 -7,-3.3 -2,-0.5 2,-0.5 -0.990 16.4-155.7-126.2 132.3 105.4 103.8 93.7 75 78 A L E -CD 33 66A 0 -42,-2.5 -42,-2.8 -2,-0.4 2,-0.6 -0.914 6.6-152.0-111.0 131.7 107.6 102.2 91.1 76 79 A V E -CD 32 65A 1 -11,-3.1 -12,-2.3 -2,-0.5 -11,-1.6 -0.914 19.2-180.0-106.0 113.5 109.1 104.4 88.4 77 80 A F E -CD 31 63A 11 -46,-3.3 -46,-3.5 -2,-0.6 -14,-0.2 -0.825 36.5 -95.2-111.0 155.2 109.7 102.5 85.1 78 81 A E E -C 30 0A 46 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.312 51.6-110.5 -61.9 149.8 111.2 103.8 81.8 79 82 A F + 0 0 35 -50,-0.7 2,-0.4 -18,-0.0 -1,-0.1 -0.712 34.5 179.0 -95.9 135.9 108.4 104.8 79.4 80 83 A L - 0 0 19 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.984 23.9-138.2-129.4 139.0 107.4 102.9 76.2 81 84 A H S S+ 0 0 104 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.782 73.9 21.0 -70.7 -36.0 104.6 104.1 74.0 82 85 A Q E -F 132 0B 21 50,-1.1 50,-2.7 213,-0.0 2,-0.2 -0.967 61.4-140.2-139.7 154.1 102.7 101.0 72.9 83 86 A D E > -F 131 0B 26 -2,-0.3 4,-1.9 48,-0.3 3,-0.4 -0.701 33.4-108.3-106.0 166.8 102.2 97.4 74.0 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.6 43,-0.9 5,-0.2 0.786 115.1 63.5 -63.5 -30.2 102.0 94.3 71.8 85 88 A K H > S+ 0 0 70 42,-0.7 4,-1.6 45,-0.3 -1,-0.2 0.924 106.6 41.9 -63.3 -43.2 98.3 94.0 72.6 86 89 A K H > S+ 0 0 96 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.917 113.9 52.9 -68.7 -43.8 97.5 97.3 70.8 87 90 A F H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.891 107.9 50.4 -60.8 -42.1 99.9 96.5 68.0 88 91 A M H < S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.890 109.3 51.6 -63.2 -39.0 98.2 93.2 67.3 89 92 A D H >< S+ 0 0 96 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.811 111.1 48.6 -67.3 -28.9 94.8 94.8 67.3 90 93 A A H 3< S+ 0 0 75 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.807 113.2 45.9 -78.1 -33.5 96.1 97.3 64.7 91 94 A S T 3X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 -0.041 79.4 115.9 -99.4 29.5 97.7 94.6 62.5 92 95 A A T <4 S+ 0 0 48 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.1 0.905 76.1 42.4 -65.3 -43.9 94.5 92.5 62.7 93 96 A L T 4 S+ 0 0 159 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.876 129.5 24.3 -72.6 -44.0 93.7 92.7 59.0 94 97 A T T 4 S- 0 0 110 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.750 103.0-138.3 -92.0 -29.6 97.1 92.2 57.5 95 98 A G < - 0 0 5 -4,-1.8 -1,-0.1 -7,-0.2 -3,-0.1 -0.172 33.3 -66.0 88.1 168.4 98.7 90.4 60.4 96 99 A I - 0 0 16 97,-0.6 2,-0.1 -4,-0.1 5,-0.0 -0.788 61.0-107.9 -90.8 133.7 102.2 91.0 61.8 97 100 A P >> - 0 0 68 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.416 22.3-122.1 -63.7 141.7 104.8 90.0 59.2 98 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.808 110.3 58.9 -51.2 -42.0 106.7 86.8 60.1 99 102 A P H 3> S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 188,-0.4 0.869 110.4 44.0 -59.0 -33.9 110.1 88.5 60.0 100 103 A L H <> S+ 0 0 7 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.904 112.4 52.3 -75.7 -39.6 108.9 90.9 62.8 101 104 A I H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 111.5 46.6 -59.2 -46.7 107.3 88.0 64.7 102 105 A K H X S+ 0 0 13 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.858 112.4 50.2 -64.9 -38.0 110.6 86.1 64.6 103 106 A S H X S+ 0 0 4 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.934 112.5 46.8 -65.8 -47.2 112.6 89.3 65.7 104 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 112.6 48.7 -63.1 -43.6 110.2 89.9 68.6 105 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.898 111.3 51.5 -63.9 -38.7 110.3 86.2 69.8 106 109 A F H X S+ 0 0 63 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.901 112.5 44.4 -63.6 -45.7 114.1 86.2 69.6 107 110 A Q H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 3,-0.3 0.908 111.6 53.8 -67.3 -42.1 114.4 89.4 71.7 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.925 107.4 50.9 -57.0 -44.9 111.8 88.1 74.2 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.784 107.3 54.7 -65.1 -28.7 113.8 84.9 74.6 110 113 A Q H X S+ 0 0 69 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.924 110.5 44.9 -69.4 -46.1 117.0 87.1 75.3 111 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.906 115.4 48.2 -63.0 -43.1 115.2 89.0 78.1 112 115 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.946 109.5 51.5 -62.5 -50.9 113.8 85.7 79.5 113 116 A A H X S+ 0 0 21 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.912 110.8 50.1 -52.9 -45.6 117.2 83.9 79.4 114 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.924 115.4 40.4 -59.2 -51.5 118.8 86.8 81.3 115 118 A C H ><>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 3,-0.7 0.885 113.9 54.6 -64.6 -41.4 116.2 86.9 84.1 116 119 A H H ><5S+ 0 0 26 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.797 100.3 58.5 -64.5 -31.9 116.0 83.1 84.3 117 120 A S H 3<5S+ 0 0 74 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.770 107.1 49.1 -70.9 -21.3 119.7 82.9 84.8 118 121 A H T <<5S- 0 0 85 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.253 120.3-112.8 -96.7 10.5 119.2 85.1 87.9 119 122 A R T < 5S+ 0 0 201 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.782 71.7 140.8 62.3 31.0 116.4 82.8 89.0 120 123 A V < - 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