==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-APR-11 3RJC . 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) . 14722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 60.2 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 . 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 . 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 . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.8 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 1 0 1 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 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 56 0, 0.0 3,-0.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-165.2 132.5 56.0 -47.2 2 2 A E + 0 0 163 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.673 360.0 55.7 -92.4 -22.2 133.1 59.6 -48.2 3 3 A N S S+ 0 0 63 20,-0.0 21,-2.1 21,-0.0 22,-0.4 0.270 104.1 68.5 -93.8 11.5 130.9 59.5 -51.3 4 4 A F E -A 23 0A 26 -3,-0.2 2,-0.6 19,-0.2 19,-0.2 -0.957 64.4-147.1-135.2 152.3 127.9 58.4 -49.2 5 5 A Q E -A 22 0A 100 17,-1.2 17,-0.5 -2,-0.3 2,-0.1 -0.832 28.6-135.5-116.2 88.7 125.5 59.7 -46.5 6 6 A K E -A 21 0A 87 -2,-0.6 15,-0.3 -5,-0.2 3,-0.1 -0.224 24.0-175.7 -46.9 107.3 124.6 56.7 -44.3 7 7 A V E - 0 0 60 13,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.951 60.7 -25.2 -73.3 -52.5 120.9 57.3 -44.0 8 8 A E E -A 20 0A 124 12,-1.3 12,-2.6 -3,-0.1 2,-0.7 -0.950 67.0 -95.9-154.2 169.3 120.2 54.4 -41.6 9 9 A K E -A 19 0A 134 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.858 28.0-168.4 -97.6 113.5 121.6 51.0 -40.5 10 10 A I E - 0 0 83 8,-1.4 2,-0.3 -2,-0.7 9,-0.2 0.823 53.7 -81.7 -68.7 -34.7 119.7 48.3 -42.4 11 11 A G E -A 18 0A 29 7,-1.7 7,-2.9 0, 0.0 2,-0.8 -0.982 49.9 -56.5 160.5-169.7 121.2 45.5 -40.2 12 12 A E E -A 17 0A 56 -2,-0.3 5,-0.2 5,-0.2 143,-0.1 -0.868 54.1-165.4-108.6 95.2 124.0 43.2 -39.4 13 13 A G - 0 0 16 3,-1.0 142,-0.1 -2,-0.8 -1,-0.1 0.654 39.9 -80.6 -53.2-139.4 124.7 41.2 -42.6 14 14 A T S S+ 0 0 17 141,-0.1 3,-0.1 3,-0.1 -1,-0.1 0.447 123.0 14.8-114.2 -3.7 126.9 38.1 -42.6 15 15 A Y S S- 0 0 28 1,-0.4 21,-0.8 19,-0.1 2,-0.3 0.342 133.3 -14.9-144.8 -9.9 130.4 39.6 -42.6 16 16 A G S S- 0 0 0 19,-0.2 -3,-1.0 140,-0.1 -1,-0.4 -0.929 84.3 -56.7-172.1-166.7 129.6 43.2 -41.6 17 17 A V E -A 12 0A 6 17,-0.4 17,-2.9 -2,-0.3 2,-0.4 -0.589 40.1-143.1 -94.2 157.9 127.0 45.9 -41.2 18 18 A V E -AB 11 33A 23 -7,-2.9 -7,-1.7 15,-0.2 -8,-1.4 -0.971 15.8-171.6-124.4 135.7 124.6 47.1 -43.9 19 19 A Y E -AB 9 32A 28 13,-3.0 13,-3.3 -2,-0.4 2,-0.6 -0.881 28.6-126.6-124.3 154.8 123.5 50.7 -44.4 20 20 A K E +AB 8 31A 54 -12,-2.6 -13,-2.1 -2,-0.3 -12,-1.3 -0.890 48.1 178.3 -92.9 128.4 120.9 52.4 -46.5 21 21 A A E -AB 6 30A 0 9,-3.3 9,-3.6 -2,-0.6 2,-0.5 -0.962 29.1-138.3-137.6 156.3 123.1 55.1 -48.1 22 22 A R E -AB 5 29A 94 -17,-0.5 -17,-1.2 -2,-0.3 2,-0.7 -0.958 25.4-123.8-118.3 119.1 122.7 57.9 -50.7 23 23 A N E > -A 4 0A 26 5,-3.0 4,-2.9 -2,-0.5 -19,-0.2 -0.448 18.5-143.7 -62.0 106.2 125.4 58.5 -53.3 24 24 A K T 4 S+ 0 0 130 -21,-2.1 -1,-0.2 -2,-0.7 -20,-0.1 0.580 95.5 36.0 -48.1 -11.9 126.3 62.1 -52.7 25 25 A L T 4 S+ 0 0 149 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.814 125.6 29.8-109.9 -54.5 126.8 62.5 -56.4 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.655 91.7-138.4 -80.9 -14.7 124.2 60.4 -58.4 27 27 A G < + 0 0 38 -4,-2.9 -3,-0.1 1,-0.3 2,-0.1 0.452 52.4 148.5 71.1 -1.8 121.8 60.9 -55.5 28 28 A E - 0 0 91 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.4 -0.406 47.4-128.0 -68.8 140.6 120.9 57.2 -56.0 29 29 A V E +B 22 0A 47 -7,-0.2 50,-0.7 -3,-0.1 2,-0.3 -0.765 37.5 169.1 -91.6 130.5 119.9 55.3 -52.9 30 30 A V E -BC 21 78A 0 -9,-3.6 -9,-3.3 -2,-0.4 2,-0.6 -0.853 39.4-112.1-136.3 170.3 121.8 52.1 -52.3 31 31 A A E -BC 20 77A 13 46,-2.6 46,-2.8 -2,-0.3 2,-0.5 -0.942 35.2-160.0-104.3 125.1 122.4 49.4 -49.7 32 32 A L E -BC 19 76A 0 -13,-3.3 -13,-3.0 -2,-0.6 2,-0.5 -0.936 5.2-163.4-114.7 120.8 126.0 49.5 -48.5 33 33 A K E -BC 18 75A 7 42,-2.2 42,-1.7 -2,-0.5 2,-0.4 -0.898 6.6-155.6-104.7 125.6 127.7 46.5 -46.9 34 34 A K E - C 0 74A 31 -17,-2.9 -17,-0.4 -2,-0.5 2,-0.4 -0.839 8.2-164.1-100.9 135.9 130.9 47.1 -44.9 35 35 A I E C 0 73A 10 38,-1.9 38,-1.6 -2,-0.4 -19,-0.2 -0.930 360.0 360.0-121.0 146.3 133.4 44.3 -44.4 36 36 A R 0 0 105 -21,-0.8 -20,-0.1 -2,-0.4 -1,-0.1 0.328 360.0 360.0 -12.6 360.0 136.2 44.0 -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 71 0, 0.0 34,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.7 142.1 42.2 -41.4 39 42 A E - 0 0 179 32,-0.0 32,-0.0 0, 0.0 0, 0.0 -0.206 360.0 -20.4-132.7 42.4 145.8 42.5 -42.4 40 43 A G S S- 0 0 43 31,-0.1 31,-0.1 2,-0.0 0, 0.0 -0.023 85.6-119.0 151.0 -41.8 145.6 42.6 -46.2 41 44 A V - 0 0 40 30,-0.1 31,-0.0 108,-0.0 30,-0.0 0.526 38.6 -77.6 78.7 133.7 142.3 41.1 -47.5 42 45 A P > - 0 0 50 0, 0.0 4,-0.8 0, 0.0 -2,-0.0 -0.168 26.3-158.4 -60.4 153.2 142.1 38.0 -49.8 43 46 A S H > S+ 0 0 63 2,-0.2 4,-0.5 3,-0.1 5,-0.1 0.717 95.3 54.0-101.1 -33.3 142.9 38.2 -53.5 44 47 A T H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.795 108.5 53.8 -70.0 -28.6 140.9 35.1 -54.4 45 48 A A H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.989 102.6 51.9 -68.3 -62.5 138.0 36.7 -52.7 46 49 A I H X S+ 0 0 44 -4,-0.8 4,-1.1 1,-0.3 -1,-0.2 0.637 113.4 49.7 -51.2 -14.7 137.9 40.0 -54.5 47 50 A R H X S+ 0 0 142 -4,-0.5 4,-0.7 2,-0.2 -1,-0.3 0.857 109.7 45.4 -92.1 -43.6 137.9 37.9 -57.7 48 51 A E H < S+ 0 0 49 -4,-1.9 4,-0.3 -3,-0.4 -2,-0.2 0.684 116.6 51.2 -71.6 -16.1 135.1 35.5 -56.8 49 52 A I H >X S+ 0 0 14 -4,-2.2 3,-1.7 2,-0.2 4,-0.7 0.892 103.7 54.8 -82.5 -46.9 133.4 38.7 -55.7 50 53 A S H 3< S+ 0 0 54 -4,-1.1 4,-0.3 -5,-0.3 -2,-0.2 0.645 101.4 62.0 -61.4 -14.7 134.0 40.5 -59.0 51 54 A L T >< S+ 0 0 97 -4,-0.7 3,-0.7 1,-0.2 4,-0.3 0.755 95.4 59.4 -81.7 -26.2 132.3 37.5 -60.6 52 55 A L G X4 S+ 0 0 22 -3,-1.7 3,-0.8 -4,-0.3 11,-0.4 0.740 91.5 68.8 -73.0 -23.2 129.1 38.3 -58.8 53 56 A K G 3< S+ 0 0 42 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 101.8 46.6 -64.7 -27.7 129.0 41.7 -60.5 54 57 A E G < S+ 0 0 142 -3,-0.7 2,-1.9 -4,-0.3 -1,-0.3 0.533 87.1 95.6 -90.5 -9.3 128.3 40.0 -63.7 55 58 A L < + 0 0 14 -3,-0.8 2,-0.5 -4,-0.3 8,-0.2 -0.542 56.0 162.8 -82.7 73.7 125.7 37.8 -62.1 56 59 A N + 0 0 77 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.846 1.6 144.6-102.8 127.6 122.7 40.0 -63.2 57 60 A H > - 0 0 43 -2,-0.5 3,-2.2 3,-0.5 5,-0.0 -0.979 57.8-111.6-155.5 148.2 119.2 38.6 -63.1 58 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.743 119.7 46.5 -56.2 -24.9 115.7 40.1 -62.2 59 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.136 100.3 80.1-106.1 19.7 115.6 37.9 -59.1 60 63 A I B < S-e 140 0B 6 -3,-2.2 -3,-0.5 79,-0.3 2,-0.3 -0.993 88.3-113.8-126.3 126.5 119.1 38.6 -58.0 61 64 A V - 0 0 8 79,-2.9 2,-0.1 -2,-0.4 -2,-0.1 -0.427 41.5-114.2 -61.5 119.2 119.9 41.8 -56.1 62 65 A K - 0 0 104 -2,-0.3 16,-2.1 -4,-0.1 2,-0.7 -0.337 19.1-144.4 -61.1 125.3 122.2 43.8 -58.4 63 66 A L E -D 77 0A 6 -11,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.826 19.6-178.1 -90.1 116.3 125.7 44.2 -57.1 64 67 A L E - 0 0 27 12,-3.3 2,-0.3 -2,-0.7 13,-0.2 0.933 56.7 -7.2 -82.0 -50.5 126.7 47.7 -58.3 65 68 A D E -D 76 0A 86 11,-1.3 11,-3.3 2,-0.0 2,-0.5 -0.996 44.1-150.5-151.1 154.6 130.3 48.0 -57.0 66 69 A V E -D 75 0A 35 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.973 22.1-173.7-125.8 111.0 133.0 46.4 -55.0 67 70 A I E -D 74 0A 45 7,-2.2 7,-2.8 -2,-0.5 2,-0.7 -0.928 7.1-169.8-112.9 116.1 135.4 48.9 -53.4 68 71 A H E +D 73 0A 84 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.913 30.5 134.5-104.7 114.5 138.5 47.7 -51.5 69 72 A T E > +D 72 0A 55 3,-2.3 3,-1.7 -2,-0.7 -2,-0.1 -0.969 57.5 10.3-159.6 144.8 140.2 50.5 -49.7 70 73 A E T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.897 123.8 -61.0 53.8 48.2 141.7 51.2 -46.2 71 74 A N T 3 S+ 0 0 93 1,-0.2 2,-0.3 -31,-0.1 -1,-0.3 0.435 118.8 106.9 62.6 -3.5 141.6 47.5 -45.1 72 75 A K E < - D 0 69A 92 -3,-1.7 -3,-2.3 -31,-0.0 2,-0.5 -0.789 59.1-149.5-106.9 150.4 137.8 47.8 -45.5 73 76 A L E -CD 35 68A 14 -38,-1.6 -38,-1.9 -2,-0.3 2,-0.4 -0.979 11.9-165.7-121.5 124.9 135.7 46.2 -48.2 74 77 A Y E -CD 34 67A 19 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.5 -0.873 7.2-165.3-112.1 143.5 132.5 47.8 -49.5 75 78 A L E -CD 33 66A 14 -42,-1.7 -42,-2.2 -2,-0.4 2,-0.6 -0.993 10.5-154.4-126.1 121.0 129.8 46.2 -51.6 76 79 A V E -CD 32 65A 4 -11,-3.3 -12,-3.3 -2,-0.5 -11,-1.3 -0.873 19.0-179.5-102.4 119.8 127.3 48.5 -53.2 77 80 A F E -CD 31 63A 34 -46,-2.8 -46,-2.6 -2,-0.6 -14,-0.2 -0.838 36.3 -97.6-117.9 155.2 123.9 47.0 -53.9 78 81 A E E -C 30 0A 49 -16,-2.1 2,-0.4 -2,-0.3 -48,-0.2 -0.414 51.2-113.3 -62.9 143.7 120.7 48.2 -55.5 79 82 A F - 0 0 56 -50,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.697 30.0-164.0 -90.3 128.8 118.3 49.1 -52.6 80 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 3,-0.1 -0.852 23.0-124.6-108.8 152.2 115.2 47.0 -52.0 81 84 A H S S- 0 0 69 51,-0.3 2,-0.3 -2,-0.3 52,-0.2 0.811 77.9 -9.2 -63.7 -41.0 112.3 48.2 -49.9 82 85 A Q E -F 132 0B 18 50,-1.6 50,-2.9 213,-0.1 2,-0.2 -0.984 62.5-117.8-158.2 160.2 111.9 45.4 -47.4 83 86 A D E > -F 131 0B 46 -2,-0.3 4,-2.3 48,-0.3 48,-0.3 -0.692 29.3-114.8-104.0 162.6 113.1 41.9 -46.6 84 87 A L H > S+ 0 0 0 46,-3.0 4,-3.3 43,-1.0 5,-0.3 0.864 113.0 60.7 -63.8 -35.4 110.9 38.8 -46.4 85 88 A K H > S+ 0 0 69 42,-1.0 4,-2.4 45,-0.3 -1,-0.2 0.959 109.7 42.6 -54.9 -52.8 111.6 38.3 -42.7 86 89 A K H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.927 114.2 51.0 -60.6 -44.0 109.9 41.7 -42.0 87 90 A F H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.892 110.1 49.7 -62.1 -40.7 107.1 41.0 -44.5 88 91 A M H < S+ 0 0 20 -4,-3.3 3,-0.3 2,-0.2 4,-0.3 0.935 111.5 47.9 -65.4 -43.7 106.4 37.6 -42.9 89 92 A D H >< S+ 0 0 102 -4,-2.4 3,-1.2 -5,-0.3 4,-0.2 0.920 112.0 50.7 -62.0 -39.7 106.3 39.2 -39.4 90 93 A A H 3< S+ 0 0 75 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.751 114.7 44.0 -67.9 -23.6 104.0 41.9 -40.8 91 94 A S T 3X S+ 0 0 14 -4,-1.4 4,-3.8 -3,-0.3 -1,-0.3 0.274 81.1 110.3-103.2 10.0 101.8 39.2 -42.3 92 95 A A T <4 S+ 0 0 49 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.802 76.6 48.1 -55.8 -36.3 101.7 37.0 -39.2 93 96 A L T 4 S+ 0 0 170 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.910 129.0 20.4 -73.7 -42.6 98.1 37.6 -38.3 94 97 A T T 4 S- 0 0 113 -4,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.740 102.6-130.2 -98.3 -28.1 96.6 37.0 -41.7 95 98 A G < - 0 0 8 -4,-3.8 -3,-0.1 -7,-0.2 99,-0.1 0.203 34.2 -71.8 86.2 146.2 99.3 35.0 -43.5 96 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.597 61.4-103.0 -71.6 130.5 100.8 35.8 -46.9 97 100 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.264 28.0-121.2 -54.7 139.2 98.1 35.0 -49.6 98 101 A L H 3> S+ 0 0 68 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.872 111.1 57.6 -53.4 -41.3 98.9 31.6 -51.3 99 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.852 110.6 44.7 -60.6 -28.1 99.2 33.2 -54.8 100 103 A L H <> S+ 0 0 6 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.884 110.9 52.1 -81.9 -40.2 101.9 35.5 -53.4 101 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.946 113.1 47.2 -56.3 -47.4 103.7 32.7 -51.6 102 105 A K H X S+ 0 0 13 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.905 111.0 49.9 -62.9 -41.5 103.6 30.8 -54.9 103 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.927 112.6 47.6 -64.6 -41.8 104.8 33.8 -56.9 104 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.921 112.6 48.1 -66.0 -43.8 107.7 34.4 -54.5 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.929 112.4 50.1 -60.9 -44.5 108.7 30.7 -54.5 106 109 A F H X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 112.1 46.1 -60.5 -48.2 108.6 30.6 -58.3 107 110 A Q H X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.895 111.5 51.8 -64.4 -40.5 110.7 33.8 -58.7 108 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.894 108.4 51.2 -65.5 -35.1 113.3 32.6 -56.2 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.874 109.0 51.9 -67.7 -34.3 113.6 29.2 -58.0 110 113 A Q H X S+ 0 0 69 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.958 110.5 47.9 -65.2 -46.4 114.2 31.2 -61.2 111 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 114.6 46.0 -60.1 -41.1 116.9 33.2 -59.5 112 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.936 108.0 55.8 -68.5 -44.7 118.4 30.0 -58.2 113 116 A A H X S+ 0 0 15 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.903 111.5 46.4 -52.4 -42.1 118.2 28.2 -61.5 114 117 A F H X S+ 0 0 47 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.957 113.8 45.3 -65.9 -52.8 120.2 31.1 -63.0 115 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.9 0.948 116.2 47.1 -55.2 -50.0 122.8 31.2 -60.2 116 119 A H H ><5S+ 0 0 29 -4,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.810 106.3 56.3 -63.0 -33.3 123.2 27.4 -60.3 117 120 A S H 3<5S+ 0 0 84 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.684 110.0 48.7 -72.5 -17.6 123.4 27.3 -64.1 118 121 A H T <<5S- 0 0 100 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.097 121.5-110.2-106.5 19.3 126.3 29.7 -63.7 119 122 A R T < 5S+ 0 0 206 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.711 75.2 132.1 60.7 26.0 128.0 27.6 -61.1 120 123 A V < - 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0 0 19 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.290 28.9-142.3 -56.5 139.4 109.9 28.4 -38.8 199 202 A L S S+ 0 0 28 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.955 90.6 15.1 -70.1 -50.5 110.1 24.7 -39.9 200 203 A F S S- 0 0 2 -36,-0.3 2,-1.8 -12,-0.1 -1,-0.3 -0.763 70.5-178.0-127.8 82.4 113.3 23.8 -38.0 201 204 A P + 0 0 44 0, 0.0 2,-0.2 0, 0.0 -37,-0.1 -0.463 15.3 174.8 -85.1 72.6 114.1 26.4 -35.4 202 205 A G - 0 0 4 -2,-1.8 -39,-0.5 1,-0.1 -38,-0.2 -0.493 25.7-162.4 -77.6 145.5 117.3 25.0 -34.0 203 206 A D S S+ 0 0 125 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.325 78.4 18.4-107.3 3.8 119.3 26.9 -31.5 204 207 A S S > S- 0 0 44 1,-0.1 4,-2.5 -41,-0.0 5,-0.2 -0.947 90.4 -96.7-161.2 165.8 122.6 25.0 -32.0 205 208 A E H > S+ 0 0 102 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.900 123.3 43.4 -60.8 -40.5 124.0 22.7 -34.7 206 209 A I H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.876 114.2 49.3 -73.8 -36.9 122.9 19.5 -33.0 207 210 A D H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.879 111.8 50.7 -66.8 -37.6 119.5 20.8 -32.0 208 211 A Q H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.968 112.9 46.5 -62.1 -51.9 119.0 21.9 -35.6 209 212 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 113.8 47.0 -56.3 -49.5 120.0 18.5 -36.8 210 213 A F H X S+ 0 0 34 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.823 107.5 55.8 -68.0 -29.8 117.8 16.7 -34.3 211 214 A R H X S+ 0 0 77 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.899 109.9 47.4 -65.3 -39.5 114.8 18.9 -35.1 212 215 A I H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 3,-0.4 0.954 112.9 48.8 -65.9 -46.8 115.2 17.9 -38.8 213 216 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.911 107.5 54.9 -59.1 -43.8 115.5 14.3 -37.8 214 217 A R H < S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.7 35.8 -61.4 -30.7 112.4 14.5 -35.5 215 218 A T H < S+ 0 0 34 -4,-1.4 28,-2.2 -3,-0.4 -2,-0.2 0.895 130.5 27.0 -89.7 -43.9 110.3 15.7 -38.4 216 219 A L H < S- 0 0 5 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.432 115.4-101.5-100.8 -0.1 111.7 13.9 -41.4 217 220 A G < - 0 0 6 -4,-2.2 24,-0.2 24,-0.4 -1,-0.2 0.218 45.9 -70.4 91.2 143.0 112.9 10.8 -39.6 218 221 A T - 0 0 23 22,-2.4 24,-0.1 -4,-0.1 -8,-0.0 -0.527 62.9-118.6 -65.8 129.5 116.5 10.1 -38.7 219 222 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.331 38.2 173.3 -72.7 152.8 118.3 9.4 -42.0 220 223 A D > - 0 0 71 -2,-0.0 4,-2.6 7,-0.0 3,-0.2 -0.832 51.5 -79.5-143.1-177.9 119.9 6.0 -42.8 221 224 A E T 4 S+ 0 0 81 -2,-0.3 6,-0.0 1,-0.2 0, 0.0 0.734 121.8 63.4 -62.1 -23.5 121.5 4.3 -45.8 222 225 A V T 4 S+ 0 0 122 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.970 118.1 22.7 -66.7 -54.3 118.1 3.5 -47.2 223 226 A V T 4 S+ 0 0 69 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.760 138.6 29.7 -86.3 -20.9 117.0 7.0 -47.8 224 227 A W S >< S- 0 0 10 -4,-2.6 3,-2.4 42,-0.1 4,-0.3 -0.668 78.0-150.2-141.1 83.1 120.4 8.6 -47.9 225 228 A P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.265 85.9 17.3 -53.9 130.3 123.3 6.3 -49.2 226 229 A G T > S+ 0 0 28 4,-0.0 3,-1.6 1,-0.0 4,-0.2 0.308 87.2 119.5 90.6 -9.0 126.6 7.3 -47.6 227 230 A V G X S+ 0 0 0 -3,-2.4 3,-1.6 1,-0.3 6,-0.1 0.872 70.1 56.4 -59.2 -37.9 125.0 9.2 -44.8 228 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 5,-0.0 0.587 104.3 55.2 -72.2 -7.3 126.5 7.0 -42.1 229 232 A S G < S+ 0 0 98 -3,-1.6 -1,-0.3 5,-0.0 -2,-0.2 0.364 81.4 121.8-105.1 6.3 130.0 7.7 -43.5 230 233 A M S X S- 0 0 33 -3,-1.6 3,-1.9 -4,-0.2 -57,-0.1 -0.392 76.2-108.8 -69.7 146.5 129.6 11.5 -43.2 231 234 A P T 3 S+ 0 0 60 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.792 113.7 29.0 -40.7 -49.4 132.2 13.4 -41.1 232 235 A D T 3 S+ 0 0 75 -60,-2.9 2,-0.4 2,-0.1 -59,-0.2 0.202 88.2 122.0-105.4 16.4 129.9 14.3 -38.2 233 236 A Y < - 0 0 40 -3,-1.9 3,-0.0 -61,-0.3 -61,-0.0 -0.642 43.6-163.4 -79.5 133.0 127.5 11.4 -38.3 234 237 A K > - 0 0 103 -2,-0.4 3,-2.4 1,-0.1 -2,-0.1 -0.971 23.6-142.3-119.1 131.1 127.3 9.4 -35.1 235 238 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.767 103.2 68.0 -58.3 -21.1 125.9 5.8 -34.9 236 239 A S T 3 + 0 0 101 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.398 69.1 125.5 -79.8 0.1 124.5 7.1 -31.6 237 240 A F S < S- 0 0 12 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.330 73.0-101.8 -57.0 141.7 122.1 9.6 -33.1 238 241 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.326 31.2-126.0 -65.1 153.2 118.6 9.0 -31.8 239 242 A K + 0 0 184 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.792 32.6 178.4-107.1 92.9 116.3 7.1 -34.2 240 243 A W - 0 0 81 -2,-0.8 -22,-2.4 -30,-0.0 2,-0.2 -0.698 26.9-124.7 -92.2 144.1 113.1 9.1 -34.9 241 244 A A - 0 0 77 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.525 38.9 -94.0 -81.2 154.3 110.4 7.8 -37.3 242 245 A R - 0 0 118 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.461 41.1-121.9 -70.5 139.9 109.4 10.2 -40.0 243 246 A Q - 0 0 80 -28,-2.2 5,-0.1 -2,-0.1 -1,-0.1 -0.570 34.0 -92.3 -83.6 147.3 106.3 12.3 -39.2 244 247 A D > - 0 0 107 -2,-0.2 3,-1.2 1,-0.2 4,-0.4 -0.380 37.1-138.1 -54.5 129.1 103.3 12.2 -41.4 245 248 A F G >> S+ 0 0 32 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.788 97.0 68.0 -65.9 -30.1 103.9 15.0 -43.9 246 249 A S G 34 S+ 0 0 53 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.667 97.5 57.3 -62.6 -16.3 100.3 16.4 -43.8 247 250 A K G <4 S+ 0 0 140 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.730 99.3 62.5 -84.6 -25.4 101.1 17.4 -40.3 248 251 A V T <4 S+ 0 0 22 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.926 118.0 12.0 -68.1 -54.6 104.1 19.5 -41.5 249 252 A V S >< S- 0 0 0 -4,-1.1 3,-1.8 3,-0.1 -1,-0.2 -0.479 85.4-162.7-128.8 62.4 102.6 22.1 -43.6 250 253 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.681 70.9 20.8 -80.9 147.8 98.8 22.2 -43.2 251 254 A P T 3 S+ 0 0 119 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 -0.831 86.9 122.3-102.7 32.1 96.9 23.5 -45.0 252 255 A L < - 0 0 8 -3,-1.8 -3,-0.1 1,-0.1 -61,-0.0 -0.200 66.5-112.9 -49.8 135.7 99.2 23.5 -48.1 253 256 A D > - 0 0 58 1,-0.1 4,-2.7 -3,-0.1 3,-0.2 -0.166 30.0 -98.2 -68.3 167.1 97.5 21.6 -51.0 254 257 A E H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.798 121.9 56.9 -59.1 -31.4 99.0 18.3 -52.2 255 258 A D H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.941 111.6 42.5 -65.0 -46.5 100.8 20.0 -55.2 256 259 A G H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.913 115.0 50.8 -64.7 -42.1 102.6 22.3 -52.8 257 260 A R H X S+ 0 0 52 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.894 109.4 49.8 -64.9 -38.8 103.3 19.4 -50.3 258 261 A S H X S+ 0 0 43 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.916 112.7 47.1 -67.4 -40.3 104.7 17.2 -53.0 259 262 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.944 112.6 50.2 -64.7 -44.5 107.0 20.0 -54.3 260 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.5 0.933 106.9 53.9 -58.7 -45.0 108.1 20.7 -50.7 261 264 A S H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.867 108.7 50.5 -59.5 -34.1 108.9 17.0 -50.0 262 265 A Q H >< S+ 0 0 68 -4,-1.6 10,-2.1 1,-0.2 3,-0.6 0.806 108.4 50.7 -74.7 -26.4 111.1 17.0 -53.1 263 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.3 -3,-0.5 -1,-0.2 0.670 112.8 49.0 -80.5 -15.3 113.0 20.1 -51.9 264 267 A L T 3< S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.140 74.0 137.2-111.3 18.3 113.5 18.5 -48.5 265 268 A H < - 0 0 67 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.416 54.6-135.1 -62.9 138.3 114.8 15.1 -49.6 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.959 87.8 75.2 -59.9 -53.1 117.7 14.1 -47.4 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.3 1,-0.2 4,-1.8 -0.495 75.2-147.9 -66.8 113.7 120.0 12.9 -50.2 268 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.808 99.6 57.1 -52.1 -29.8 121.3 16.0 -52.0 269 272 A N T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.722 109.0 42.9 -75.0 -21.4 121.3 13.9 -55.2 270 273 A K T <4 S+ 0 0 96 -3,-2.3 -1,-0.2 2,-0.1 3,-0.1 0.686 89.9 107.3 -93.5 -22.6 117.6 13.1 -54.9 271 274 A R S < S- 0 0 13 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.318 82.1-104.3 -58.6 134.4 116.7 16.7 -53.9 272 275 A I - 0 0 21 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.216 31.6-124.3 -61.9 145.6 114.9 18.5 -56.8 273 276 A S > - 0 0 59 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.465 21.6-113.8 -84.2 167.7 116.9 21.0 -58.8 274 277 A A H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -161,-0.1 0.932 117.3 54.6 -65.5 -44.0 115.6 24.6 -59.2 275 278 A K H > S+ 0 0 161 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.932 112.4 41.1 -55.2 -51.4 115.1 23.9 -63.0 276 279 A A H >> S+ 0 0 48 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.904 109.6 59.7 -65.6 -40.1 112.9 20.9 -62.4 277 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.873 97.9 59.9 -54.4 -40.2 111.1 22.6 -59.5 278 281 A L H 3< S+ 0 0 40 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.778 104.0 51.3 -60.8 -26.3 110.0 25.3 -61.9 279 282 A A H << S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.520 82.8 120.8 -88.7 -7.0 108.2 22.6 -64.0 280 283 A H S X< S- 0 0 20 -3,-1.5 3,-2.2 -4,-0.5 4,-0.1 -0.261 75.0-119.3 -58.9 141.8 106.3 21.2 -61.0 281 284 A P G > S+ 0 0 80 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.728 105.7 80.0 -56.2 -22.7 102.5 21.2 -61.4 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.820 94.1 50.5 -54.0 -27.9 102.3 23.5 -58.3 283 286 A F G X S+ 0 0 12 -3,-2.2 3,-1.3 -6,-0.2 -1,-0.3 0.258 75.8 102.9 -96.8 14.0 103.2 26.3 -60.6 284 287 A Q T < S+ 0 0 174 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.877 94.3 32.8 -62.6 -36.8 100.6 25.6 -63.4 285 288 A D T 3 S+ 0 0 93 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.039 86.9 148.2-107.8 26.8 98.5 28.5 -62.1 286 289 A V < + 0 0 43 -3,-1.3 2,-0.2 -184,-0.1 -186,-0.1 -0.336 17.8 170.4 -63.4 142.4 101.3 30.8 -60.9 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.745 37.1-111.0-137.7-177.4 100.6 34.5 -61.2 288 291 A K + 0 0 131 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.710 36.6 178.2-128.1 82.6 102.3 37.7 -60.0 289 292 A P - 0 0 38 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.268 29.3-118.9 -73.0 164.7 100.2 39.4 -57.3 290 293 A V - 0 0 103 -154,-0.0 -155,-0.1 -2,-0.0 -156,-0.1 -0.907 26.4-123.8-108.8 138.2 101.6 42.6 -55.7 291 294 A P - 0 0 12 0, 0.0 2,-1.0 0, 0.0 -154,-0.1 -0.321 17.8-117.1 -74.6 162.1 102.2 42.6 -51.9 292 295 A H - 0 0 157 2,-0.0 2,-0.5 -2,-0.0 -158,-0.0 -0.869 43.0-171.3 -97.7 100.1 100.7 45.1 -49.5 293 296 A L - 0 0 26 -2,-1.0 2,-0.7 -159,-0.1 -159,-0.0 -0.854 20.8-161.4-103.4 130.4 103.9 46.8 -48.3 294 297 A R 0 0 210 -2,-0.5 -2,-0.0 -207,-0.0 -204,-0.0 -0.918 360.0 360.0-105.5 104.0 103.9 49.3 -45.5 295 298 A L 0 0 155 -2,-0.7 -213,-0.1 -213,-0.0 -214,-0.0 -0.714 360.0 360.0-103.2 360.0 107.2 51.2 -45.9