==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-MAR-11 3QZF . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 61.9 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 12.9 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 . 1 0.3 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 . 1 0.3 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.5 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 1 0 1 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 0 4 0 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 86 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.0 105.7 128.6 -47.3 2 2 A E + 0 0 172 1,-0.1 22,-0.1 3,-0.1 0, 0.0 0.603 360.0 67.5 -96.1 -17.4 105.3 132.4 -47.9 3 3 A N S S+ 0 0 57 20,-0.1 21,-2.7 21,-0.1 22,-0.2 0.883 99.6 50.9 -70.3 -41.2 103.0 131.9 -50.9 4 4 A F - 0 0 32 19,-0.2 19,-0.2 20,-0.1 2,-0.1 -0.048 66.2-144.2 -89.1-170.9 100.1 130.6 -48.8 5 5 A Q - 0 0 82 3,-0.1 17,-0.7 17,-0.0 -3,-0.1 -0.623 28.9-122.0-161.2 90.1 98.2 131.6 -45.7 6 6 A K E +A 21 0A 121 1,-0.2 15,-0.2 15,-0.2 3,-0.1 -0.104 32.4 179.0 -39.0 99.2 97.0 128.7 -43.5 7 7 A V E - 0 0 51 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.920 64.0 -23.6 -73.5 -45.8 93.3 129.4 -43.5 8 8 A E E -A 20 0A 118 12,-1.4 12,-3.3 -3,-0.0 2,-0.8 -0.976 59.9-107.9-160.4 163.7 92.5 126.4 -41.2 9 9 A K E -A 19 0A 95 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.907 30.6-174.0-100.3 109.2 93.9 123.0 -40.2 10 10 A I E - 0 0 68 8,-1.1 2,-0.2 -2,-0.8 9,-0.2 0.210 58.2 -42.1 -91.5 16.8 91.6 120.5 -41.9 11 11 A G E -A 18 0A 25 7,-0.7 7,-1.7 2,-0.0 2,-0.4 -0.831 50.8-100.2 147.0 173.4 93.1 117.4 -40.2 12 12 A E E -A 17 0A 75 -2,-0.2 5,-0.3 5,-0.2 7,-0.0 -0.788 37.8-160.3-132.8 88.6 96.2 115.5 -39.1 13 13 A G E > -A 16 0A 8 3,-1.0 3,-0.9 -2,-0.4 143,-0.4 -0.003 31.4-111.4 -61.3 172.0 97.1 112.8 -41.5 14 14 A T T 3 S+ 0 0 21 1,-0.2 142,-0.5 141,-0.1 -1,-0.1 0.687 121.2 46.1 -78.4 -18.3 99.4 109.9 -40.6 15 15 A Y T 3 S- 0 0 20 1,-0.4 21,-0.5 140,-0.2 -1,-0.2 0.052 132.4 -51.4-109.8 21.9 102.1 111.4 -42.9 16 16 A G E < S-A 13 0A 1 -3,-0.9 -3,-1.0 19,-0.2 -1,-0.4 -0.698 71.8 -56.8 133.8 174.0 101.7 114.9 -41.6 17 17 A V E -AB 12 34A 18 17,-0.9 17,-2.4 -5,-0.3 2,-0.5 -0.719 43.5-141.9 -94.2 141.3 99.2 117.7 -40.9 18 18 A V E -AB 11 33A 29 -7,-1.7 -8,-1.1 -2,-0.3 -7,-0.7 -0.877 17.0-171.7-107.7 132.3 96.9 119.1 -43.6 19 19 A Y E -AB 9 32A 45 13,-2.6 13,-3.6 -2,-0.5 2,-0.6 -0.870 23.9-130.1-120.5 150.7 96.0 122.7 -43.9 20 20 A K E +AB 8 31A 42 -12,-3.3 -13,-2.5 -2,-0.3 -12,-1.4 -0.887 40.7 179.6 -96.0 128.7 93.5 124.6 -46.1 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.7 -2,-0.6 2,-0.5 -0.970 30.3-138.0-136.5 151.6 95.4 127.5 -47.7 22 22 A R E - B 0 29A 104 -17,-0.7 2,-0.8 -2,-0.3 7,-0.2 -0.920 27.1-130.0-106.2 124.6 94.8 130.4 -50.1 23 23 A N > - 0 0 15 5,-3.0 4,-2.1 -2,-0.5 -19,-0.2 -0.648 6.9-150.2 -76.9 110.0 97.5 130.9 -52.6 24 24 A K T 4 S+ 0 0 146 -21,-2.7 -1,-0.2 -2,-0.8 -20,-0.1 0.693 93.8 45.1 -51.6 -19.4 98.5 134.6 -52.5 25 25 A L T 4 S+ 0 0 121 -22,-0.2 -1,-0.0 3,-0.1 -2,-0.0 0.792 126.2 18.0 -87.7 -98.9 99.3 134.1 -56.2 26 26 A T T 4 S- 0 0 99 1,-0.2 -2,-0.2 2,-0.0 3,-0.1 0.657 92.7-138.0 -48.8 -16.2 96.8 132.2 -58.2 27 27 A G < + 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.267 56.6 142.1 73.6 -16.2 94.4 133.0 -55.3 28 28 A E - 0 0 87 -6,-0.2 -5,-3.0 1,-0.1 2,-0.5 -0.186 52.1-128.7 -56.3 147.1 93.3 129.4 -55.7 29 29 A V E +B 22 0A 63 -7,-0.2 50,-0.6 -3,-0.1 2,-0.2 -0.879 38.1 165.9-102.3 133.5 92.5 127.7 -52.5 30 30 A V E -BC 21 78A 0 -9,-2.7 -9,-2.8 -2,-0.5 2,-0.6 -0.792 40.6 -99.6-137.0 177.9 94.2 124.3 -52.0 31 31 A A E -BC 20 77A 10 46,-3.1 46,-3.0 -2,-0.2 2,-0.6 -0.930 34.4-157.0-105.8 125.6 95.0 121.7 -49.4 32 32 A L E -BC 19 76A 5 -13,-3.6 -13,-2.6 -2,-0.6 2,-0.6 -0.896 5.4-165.7-110.2 112.3 98.6 122.0 -48.1 33 33 A K E -BC 18 75A 1 42,-2.9 42,-2.5 -2,-0.6 2,-0.8 -0.841 7.0-156.4-101.2 121.0 100.1 118.9 -46.5 34 34 A K E -BC 17 74A 36 -17,-2.4 -17,-0.9 -2,-0.6 40,-0.2 -0.826 18.8-159.0 -95.7 107.2 103.3 119.2 -44.5 35 35 A I E C 0 73A 10 38,-3.8 38,-0.6 -2,-0.8 -19,-0.2 -0.271 360.0 360.0 -80.8 170.2 105.1 115.9 -44.4 36 36 A R 0 0 137 -21,-0.5 -1,-0.1 36,-0.1 5,-0.1 0.918 360.0 360.0 -66.3 360.0 107.7 114.6 -41.9 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 93 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.8 113.8 112.4 -40.2 39 42 A E - 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.385 360.0 -21.9-125.2 -4.6 116.9 114.4 -40.9 40 43 A G S S- 0 0 14 31,-0.0 31,-0.1 0, 0.0 32,-0.1 0.354 97.8 -92.5 172.1 7.5 116.2 115.8 -44.4 41 44 A V - 0 0 14 30,-0.1 31,-0.1 -5,-0.1 30,-0.1 0.680 52.2 -79.7 68.5 127.2 113.6 113.5 -46.0 42 45 A P > - 0 0 70 0, 0.0 4,-1.1 0, 0.0 106,-0.0 -0.115 28.3-141.8 -54.0 150.0 114.6 110.5 -48.2 43 46 A S T 4 S+ 0 0 82 2,-0.2 4,-0.4 1,-0.2 5,-0.1 0.780 101.2 55.5 -86.2 -31.0 115.6 111.1 -51.8 44 47 A T T > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.731 106.5 57.5 -71.9 -20.6 113.9 108.0 -53.3 45 48 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.945 100.3 51.4 -73.1 -52.3 110.8 109.4 -51.7 46 49 A I H X S+ 0 0 43 -4,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.572 112.3 51.0 -64.2 -7.9 110.8 112.8 -53.4 47 50 A R H > S+ 0 0 161 -4,-0.4 4,-1.0 2,-0.1 -1,-0.2 0.802 109.7 46.5 -96.5 -37.6 111.1 110.9 -56.7 48 51 A E H >X S+ 0 0 58 -4,-1.4 3,-0.9 -3,-0.3 4,-0.7 0.964 113.5 48.6 -66.7 -54.2 108.2 108.5 -56.1 49 52 A I H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.3 4,-0.4 0.908 105.4 59.1 -51.5 -48.8 105.8 111.2 -55.0 50 53 A S H >< S+ 0 0 46 -4,-0.5 3,-1.3 -5,-0.3 -1,-0.3 0.834 98.2 59.9 -51.7 -36.2 106.8 113.3 -58.0 51 54 A L H X< S+ 0 0 105 -4,-1.0 3,-1.3 -3,-0.9 -1,-0.3 0.771 92.9 66.8 -65.2 -26.2 105.6 110.5 -60.3 52 55 A L G X< S+ 0 0 24 -3,-1.7 3,-1.2 -4,-0.7 11,-0.3 0.644 79.4 78.3 -70.8 -15.7 102.1 110.7 -58.8 53 56 A K G < S+ 0 0 58 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.730 95.3 50.5 -64.2 -19.6 101.6 114.2 -60.3 54 57 A E G < S+ 0 0 139 -3,-1.3 2,-1.9 -4,-0.2 -1,-0.3 0.540 85.1 91.8 -93.2 -10.6 100.9 112.3 -63.5 55 58 A L < + 0 0 14 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.2 -0.489 60.9 166.0 -84.9 68.6 98.4 110.0 -61.9 56 59 A N + 0 0 79 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.730 4.5 146.5 -94.9 133.0 95.4 112.2 -62.7 57 60 A H > - 0 0 42 3,-0.5 3,-2.2 -2,-0.4 54,-0.0 -0.966 54.2-117.7-160.0 143.9 91.8 110.9 -62.5 58 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.688 117.4 48.8 -58.5 -19.4 88.4 112.5 -61.5 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.3 2,-0.1 2,-0.4 0.133 99.5 78.3-108.1 19.6 88.2 110.2 -58.5 60 63 A I B < S-e 140 0B 8 -3,-2.2 -3,-0.5 79,-0.3 81,-0.2 -0.995 90.4-113.0-128.6 122.9 91.7 110.9 -57.3 61 64 A V - 0 0 8 79,-2.6 2,-0.3 -2,-0.4 82,-0.2 -0.378 43.4-114.6 -55.2 122.9 92.5 114.0 -55.3 62 65 A K - 0 0 100 -2,-0.1 16,-2.0 -4,-0.1 2,-1.0 -0.444 16.7-141.7 -69.3 126.2 94.8 116.0 -57.7 63 66 A L E -D 77 0A 10 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.771 21.0-178.3 -87.3 104.4 98.3 116.5 -56.5 64 67 A L E - 0 0 30 12,-2.0 2,-0.3 -2,-1.0 13,-0.2 0.856 58.1 -5.0 -74.3 -36.9 99.1 120.0 -57.7 65 68 A D E -D 76 0A 86 11,-1.7 11,-2.9 2,-0.0 2,-0.4 -0.998 45.9-148.0-159.7 157.7 102.7 120.3 -56.5 66 69 A V E -D 75 0A 30 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.988 21.8-175.5-130.1 116.7 105.6 118.7 -54.5 67 70 A I E -D 74 0A 49 7,-2.7 7,-2.3 -2,-0.4 2,-0.8 -0.926 10.3-173.8-123.5 111.0 108.0 121.1 -52.8 68 71 A H E +D 73 0A 73 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.869 27.6 150.7-102.0 103.0 111.1 119.9 -50.9 69 72 A T E > +D 72 0A 43 3,-1.8 3,-1.0 -2,-0.8 -2,-0.1 -0.999 61.5 0.7-139.7 138.1 112.6 122.9 -49.2 70 73 A E T 3 S- 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.850 128.4 -60.8 55.5 37.4 114.6 123.3 -46.0 71 74 A N T 3 S+ 0 0 100 1,-0.2 2,-0.3 -31,-0.1 -1,-0.3 0.863 114.8 121.0 57.3 37.1 114.5 119.5 -45.6 72 75 A K E < - D 0 69A 86 -3,-1.0 -3,-1.8 -32,-0.1 2,-0.5 -0.953 55.3-142.5-127.3 145.6 110.7 119.8 -45.4 73 76 A L E -CD 35 68A 0 -38,-0.6 -38,-3.8 -2,-0.3 2,-0.5 -0.947 17.3-178.5-117.3 117.1 108.1 118.2 -47.7 74 77 A Y E -CD 34 67A 24 -7,-2.3 -7,-2.7 -2,-0.5 2,-0.5 -0.953 7.8-164.2-114.3 128.2 104.9 120.0 -48.8 75 78 A L E -CD 33 66A 1 -42,-2.5 -42,-2.9 -2,-0.5 2,-0.6 -0.942 8.6-152.5-111.0 129.3 102.3 118.4 -51.0 76 79 A V E +CD 32 65A 7 -11,-2.9 -12,-2.0 -2,-0.5 -11,-1.7 -0.913 21.0 176.3-105.8 122.5 99.8 120.7 -52.6 77 80 A F E -CD 31 63A 24 -46,-3.0 -46,-3.1 -2,-0.6 -14,-0.2 -0.807 38.1 -94.8-120.2 160.4 96.5 119.1 -53.4 78 81 A E E -C 30 0A 47 -16,-2.0 2,-0.4 -2,-0.3 -48,-0.2 -0.435 50.5-114.7 -68.0 152.1 93.1 120.3 -54.8 79 82 A F - 0 0 32 -50,-0.6 2,-0.4 -2,-0.1 -50,-0.1 -0.806 30.8-175.6 -99.2 131.5 90.8 121.2 -51.9 80 83 A L - 0 0 13 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.939 25.9-132.2-117.9 144.2 87.6 119.3 -51.2 81 84 A H S S+ 0 0 104 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.663 77.0 22.4 -74.6 -19.1 85.3 120.5 -48.4 82 85 A Q E -F 132 0B 17 50,-1.1 50,-2.8 211,-0.0 2,-0.2 -0.998 60.6-138.8-153.6 146.4 84.5 117.3 -46.5 83 86 A D E > -F 131 0B 34 -2,-0.3 4,-1.9 48,-0.2 3,-0.3 -0.638 32.7-111.9 -99.0 160.0 85.8 113.8 -45.8 84 87 A L H > S+ 0 0 0 46,-2.5 4,-2.5 43,-1.0 44,-0.2 0.802 113.5 58.6 -61.0 -33.3 83.6 110.7 -45.6 85 88 A K H > S+ 0 0 88 42,-0.7 4,-2.1 45,-0.3 -1,-0.2 0.911 110.0 44.6 -64.4 -40.5 84.1 110.1 -41.9 86 89 A K H > S+ 0 0 114 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.877 113.2 50.3 -70.6 -37.6 82.7 113.5 -41.3 87 90 A F H X S+ 0 0 8 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.839 111.4 49.3 -69.8 -33.4 79.8 113.0 -43.7 88 91 A M H X S+ 0 0 19 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.909 108.4 51.4 -72.4 -41.8 79.0 109.6 -42.1 89 92 A D H >< S+ 0 0 106 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.921 113.4 47.1 -59.4 -41.5 79.0 111.1 -38.6 90 93 A A H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.768 117.4 42.3 -69.7 -28.7 76.6 113.7 -39.9 91 94 A S H >X S+ 0 0 15 -4,-1.4 4,-5.3 1,-0.1 3,-0.6 0.394 86.6 98.1 -98.3 1.5 74.5 111.1 -41.7 92 95 A A T << S+ 0 0 41 -4,-1.0 -1,-0.1 -3,-0.6 -2,-0.1 0.868 77.4 55.0 -59.5 -42.8 74.5 108.5 -38.8 93 96 A L T 34 S+ 0 0 171 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.832 130.0 18.4 -60.3 -29.9 71.1 109.4 -37.3 94 97 A T T <4 S- 0 0 103 -3,-0.6 -2,-0.2 -4,-0.1 -1,-0.2 0.697 105.5-127.4-112.4 -30.3 69.5 108.9 -40.7 95 98 A G < - 0 0 8 -4,-5.3 -3,-0.1 -7,-0.2 99,-0.1 0.308 32.4 -78.4 87.3 139.3 72.1 106.8 -42.6 96 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.534 59.2-104.9 -69.0 131.1 73.5 107.6 -46.1 97 100 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.293 24.5-119.6 -60.8 144.0 70.9 106.7 -48.7 98 101 A L H 3> S+ 0 0 73 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.872 111.4 56.5 -49.3 -46.8 71.6 103.5 -50.6 99 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.5 0, 0.0 188,-0.4 0.869 111.1 44.3 -56.8 -36.7 71.7 105.2 -54.0 100 103 A L H <> S+ 0 0 5 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.818 112.4 51.9 -77.5 -31.2 74.4 107.6 -52.7 101 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.927 111.3 47.7 -67.3 -42.9 76.3 104.7 -51.1 102 105 A K H X S+ 0 0 13 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.864 111.5 50.5 -66.0 -38.7 76.3 102.8 -54.4 103 106 A S H X S+ 0 0 4 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.931 111.4 47.3 -64.9 -48.2 77.4 105.8 -56.3 104 107 A Y H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.942 113.6 47.4 -59.7 -48.5 80.4 106.5 -54.0 105 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.926 111.6 52.1 -57.1 -46.6 81.5 102.9 -54.0 106 109 A F H X S+ 0 0 53 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.945 113.1 43.8 -54.8 -50.3 81.2 102.9 -57.8 107 110 A Q H X S+ 0 0 11 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.897 111.7 53.0 -65.1 -39.4 83.4 106.0 -58.1 108 111 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.929 108.6 50.6 -62.8 -42.4 85.9 104.7 -55.5 109 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.867 108.5 51.6 -63.9 -35.3 86.3 101.5 -57.5 110 113 A Q H X S+ 0 0 64 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.916 110.6 49.8 -65.6 -41.9 86.8 103.5 -60.7 111 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.946 113.4 44.7 -60.2 -50.2 89.5 105.5 -58.9 112 115 A L H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.908 109.5 55.8 -60.0 -45.3 91.2 102.3 -57.7 113 116 A A H X S+ 0 0 25 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.939 109.6 47.8 -53.0 -47.3 90.9 100.6 -61.1 114 117 A F H X S+ 0 0 40 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.950 115.8 42.5 -59.9 -51.5 92.8 103.6 -62.5 115 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.7 0.943 114.9 50.2 -60.7 -49.1 95.5 103.5 -59.9 116 119 A H H ><5S+ 0 0 26 -4,-3.6 3,-1.5 1,-0.3 -1,-0.2 0.829 105.8 55.5 -61.6 -32.8 95.9 99.8 -60.0 117 120 A S H 3<5S+ 0 0 87 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.792 107.7 50.8 -70.5 -25.7 96.2 99.8 -63.8 118 121 A H T <<5S- 0 0 99 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.175 122.1-111.7 -94.4 17.9 99.1 102.2 -63.3 119 122 A R T < 5S+ 0 0 212 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.890 75.2 134.4 54.7 43.6 100.6 99.7 -60.8 120 123 A V < - 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