==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 19-AUG-11 3TI1 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ALAM,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.9 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 . 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 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 2 0 0 1 0 0 1 1 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 1 0 1 2 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 47 0, 0.0 3,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.8 -106.1 -20.2 -83.6 2 2 A E T 3 + 0 0 162 1,-0.3 3,-0.0 3,-0.1 0, 0.0 0.714 360.0 61.2 -72.6 -21.5 -106.5 -23.9 -84.7 3 3 A N T 3 S+ 0 0 98 20,-0.1 21,-1.4 21,-0.0 2,-0.3 0.638 109.0 51.9 -72.0 -13.3 -104.9 -23.2 -88.1 4 4 A F E < -A 23 0A 21 -3,-1.2 2,-0.6 19,-0.2 19,-0.2 -0.937 67.7-142.7-136.4 141.9 -101.7 -22.2 -86.3 5 5 A Q E -A 22 0A 70 17,-1.7 17,-1.7 -2,-0.3 2,-0.4 -0.930 28.1-133.8-101.3 119.3 -99.3 -23.5 -83.7 6 6 A K E -A 21 0A 113 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.593 22.9-178.8 -69.3 124.1 -98.0 -20.7 -81.4 7 7 A V E - 0 0 64 13,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.764 65.8 -38.0 -81.4 -34.3 -94.3 -21.0 -81.0 8 8 A E E -A 20 0A 115 12,-1.3 12,-2.3 -3,-0.1 2,-0.7 -0.978 55.3 -96.0 179.4 161.2 -94.2 -18.0 -78.7 9 9 A K E +A 19 0A 102 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.901 38.2 178.4-101.0 109.9 -95.5 -14.5 -77.8 10 10 A I E + 0 0 64 8,-1.3 2,-0.3 -2,-0.7 9,-0.2 0.514 57.6 0.3 -97.0 -4.5 -93.0 -12.2 -79.4 11 11 A G E -A 18 0A 26 7,-1.2 7,-2.3 2,-0.0 2,-0.5 -0.969 54.3-128.5-174.7 157.9 -94.5 -8.8 -78.5 12 12 A E E -A 17 0A 52 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.953 40.6-154.8-120.8 110.5 -97.3 -7.0 -76.8 13 13 A G - 0 0 13 3,-3.0 143,-0.2 -2,-0.5 4,-0.0 0.329 30.3-113.2 -76.4-169.3 -98.8 -4.5 -79.2 14 14 A T S S+ 0 0 28 141,-0.1 140,-0.1 128,-0.1 -1,-0.1 0.727 122.2 26.8 -82.0 -42.6 -100.7 -1.2 -79.0 15 15 A Y S S- 0 0 19 1,-0.1 21,-0.7 127,-0.1 2,-0.2 0.840 132.0 -42.3 -82.7 -39.1 -103.6 -3.1 -80.5 16 16 A G E S- B 0 35A 2 19,-0.2 -3,-3.0 20,-0.1 2,-0.4 -0.749 73.9 -49.1-168.2-161.9 -103.1 -6.7 -79.4 17 17 A V E -AB 12 34A 4 17,-1.5 17,-2.5 -5,-0.2 2,-0.5 -0.865 39.7-145.0-105.6 141.0 -100.6 -9.5 -78.9 18 18 A V E -AB 11 33A 25 -7,-2.3 -8,-1.3 -2,-0.4 -7,-1.2 -0.893 18.0-173.2-107.0 132.1 -98.1 -10.8 -81.5 19 19 A Y E -AB 9 32A 31 13,-2.8 13,-3.7 -2,-0.5 2,-0.5 -0.951 26.9-129.7-123.7 142.7 -97.2 -14.4 -81.8 20 20 A K E +AB 8 31A 47 -12,-2.3 -13,-3.2 -2,-0.4 -12,-1.3 -0.802 45.8 174.8 -82.1 130.3 -94.7 -16.4 -83.8 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.2 -2,-0.5 2,-0.4 -0.981 28.9-138.2-145.8 151.3 -96.7 -19.1 -85.4 22 22 A R E -AB 5 29A 97 -17,-1.7 -17,-1.7 -2,-0.3 2,-0.5 -0.919 19.8-129.3-114.9 135.9 -96.4 -21.9 -87.9 23 23 A N E > -A 4 0A 35 5,-2.6 4,-2.3 -2,-0.4 -19,-0.2 -0.719 12.1-150.0 -81.2 122.9 -99.0 -22.8 -90.6 24 24 A K T 4 S+ 0 0 112 -21,-1.4 -1,-0.1 -2,-0.5 -20,-0.1 0.778 94.0 39.7 -67.3 -28.1 -99.8 -26.6 -90.5 25 25 A L T 4 S+ 0 0 160 -22,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.957 129.6 24.9 -80.7 -64.7 -100.5 -26.8 -94.2 26 26 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.812 88.6-138.1 -73.6 -32.9 -97.8 -24.6 -95.7 27 27 A G < + 0 0 44 -4,-2.3 2,-0.1 1,-0.3 -3,-0.1 0.497 52.2 147.8 81.1 3.2 -95.2 -24.9 -92.9 28 28 A E - 0 0 90 -6,-0.1 -5,-2.6 -5,-0.1 2,-0.5 -0.460 45.8-133.1 -68.6 139.0 -94.6 -21.2 -93.3 29 29 A V E +B 22 0A 63 -7,-0.2 50,-0.6 -2,-0.1 2,-0.3 -0.861 35.1 170.5 -97.8 131.4 -93.6 -19.3 -90.1 30 30 A V E -BC 21 78A 0 -9,-3.2 -9,-2.7 -2,-0.5 2,-0.6 -0.802 38.9-110.3-132.3 167.9 -95.5 -16.1 -89.6 31 31 A A E -BC 20 77A 11 46,-2.9 46,-3.1 -2,-0.3 2,-0.6 -0.940 34.7-159.9-100.3 126.2 -96.2 -13.3 -87.1 32 32 A L E -BC 19 76A 3 -13,-3.7 -13,-2.8 -2,-0.6 2,-0.6 -0.925 5.2-165.6-114.2 118.9 -99.8 -13.5 -85.9 33 33 A K E -BC 18 75A 3 42,-2.8 42,-2.7 -2,-0.6 2,-0.5 -0.906 5.3-163.3-106.3 123.0 -101.4 -10.4 -84.3 34 34 A K E -BC 17 74A 48 -17,-2.5 -17,-1.5 -2,-0.6 2,-0.4 -0.902 6.6-149.0-109.1 130.1 -104.6 -11.0 -82.4 35 35 A I E BC 16 73A 19 38,-2.7 38,-1.1 -2,-0.5 -19,-0.2 -0.849 360.0 360.0-104.3 136.3 -107.0 -8.1 -81.5 36 36 A R 0 0 124 -21,-0.7 -1,-0.1 -2,-0.4 -20,-0.1 0.400 360.0 360.0 -9.0 360.0 -109.1 -8.3 -78.3 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 68 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 36.0 -115.4 -7.5 -79.5 39 42 A E - 0 0 157 1,-0.1 32,-0.0 3,-0.0 0, 0.0 0.471 360.0 -49.7 -90.1 -1.0 -118.5 -5.3 -79.8 40 43 A G S S- 0 0 62 2,-0.1 3,-0.2 3,-0.0 -1,-0.1 0.228 79.6-129.3 109.4 2.2 -119.5 -5.7 -83.4 41 44 A V - 0 0 31 1,-0.2 31,-0.1 2,-0.1 30,-0.1 0.521 39.4 -84.1 42.5 76.3 -116.0 -5.1 -84.2 42 45 A P > - 0 0 51 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.433 23.8-153.8 -46.9 144.2 -116.3 -2.3 -86.9 43 46 A S H > S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.900 98.5 61.9 -67.8 -45.2 -116.9 -3.0 -90.6 44 47 A T H > S+ 0 0 92 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.775 99.2 56.6 -52.6 -33.9 -115.2 0.3 -91.3 45 48 A A H > S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.984 103.7 48.8 -62.7 -57.7 -111.9 -1.0 -89.7 46 49 A I H X S+ 0 0 61 -4,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.662 103.1 65.1 -66.3 -18.8 -111.4 -4.0 -91.9 47 50 A R H >< S+ 0 0 173 -4,-1.2 3,-1.7 1,-0.2 4,-0.3 0.999 107.9 37.0 -57.4 -65.6 -112.0 -2.0 -95.0 48 51 A E H 3X S+ 0 0 98 -4,-1.2 4,-0.5 1,-0.3 -2,-0.2 0.428 101.2 72.8 -80.4 -1.1 -108.9 0.2 -94.6 49 52 A I H >X S+ 0 0 9 -4,-0.9 4,-1.2 2,-0.2 3,-0.9 0.812 92.8 60.1 -68.3 -33.9 -106.8 -2.7 -93.2 50 53 A S H - 0 0 28 -2,-0.5 3,-1.9 3,-0.4 54,-0.0 -0.989 58.4-122.6-148.0 145.8 -92.2 -2.3 -100.3 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.728 115.0 49.9 -61.1 -23.4 -88.9 -3.9 -99.2 59 62 A N T 3 S+ 0 0 5 80,-0.1 81,-3.1 48,-0.1 2,-0.5 0.233 97.9 76.9 -98.3 6.4 -89.0 -1.7 -96.1 60 63 A I B < S-e 140 0B 6 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.989 86.6-117.3-118.6 126.8 -92.6 -2.4 -95.1 61 64 A V - 0 0 11 79,-2.9 2,-0.3 -2,-0.5 -2,-0.1 -0.403 38.5-112.8 -62.6 135.7 -93.4 -5.7 -93.3 62 65 A K - 0 0 55 -2,-0.1 16,-2.3 -4,-0.1 2,-0.7 -0.563 17.3-146.2 -80.5 128.5 -95.8 -7.6 -95.5 63 66 A L E -D 77 0A 7 -11,-0.4 14,-0.3 -2,-0.3 3,-0.1 -0.859 18.7-177.7 -90.7 113.9 -99.4 -8.1 -94.3 64 67 A L E - 0 0 54 12,-2.8 2,-0.3 -2,-0.7 13,-0.2 0.870 55.7 -9.9 -82.3 -43.4 -100.4 -11.6 -95.6 65 68 A D E -D 76 0A 84 11,-1.5 11,-3.0 2,-0.0 2,-0.4 -0.995 46.9-142.8-154.0 153.9 -104.0 -11.9 -94.5 66 69 A V E -D 75 0A 32 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.985 19.3-171.9-116.6 136.3 -106.7 -10.5 -92.3 67 70 A I E +D 74 0A 44 7,-2.8 7,-3.1 -2,-0.4 5,-0.1 -0.955 11.9 178.4-132.7 115.6 -109.1 -12.9 -90.5 68 71 A H > + 0 0 76 -2,-0.4 4,-0.7 5,-0.2 3,-0.4 0.567 34.0 136.2 -92.1 -8.8 -112.2 -11.7 -88.7 69 72 A T T >4 + 0 0 78 1,-0.2 3,-0.8 2,-0.2 -2,-0.1 0.136 63.1 7.3 -55.4 149.1 -113.7 -15.0 -87.5 70 73 A E T 34 S- 0 0 130 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.798 122.8 -61.5 55.3 44.1 -115.1 -15.7 -84.0 71 74 A N T 34 S+ 0 0 70 -3,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.821 114.5 86.0 52.9 41.9 -115.0 -12.2 -82.5 72 75 A K S << S- 0 0 49 -3,-0.8 2,-0.5 -4,-0.7 -36,-0.2 -0.924 71.1-128.3-148.4 158.8 -111.3 -11.5 -82.6 73 76 A L E -C 35 0A 3 -38,-1.1 -38,-2.7 -2,-0.3 2,-0.5 -0.954 19.1-163.4-111.9 128.5 -109.3 -10.1 -85.5 74 77 A Y E -CD 34 67A 10 -7,-3.1 -7,-2.8 -2,-0.5 2,-0.5 -0.932 3.1-165.6-110.0 129.8 -106.2 -11.8 -86.7 75 78 A L E -CD 33 66A 9 -42,-2.7 -42,-2.8 -2,-0.5 2,-0.6 -0.968 10.6-152.4-111.1 125.4 -103.6 -10.2 -88.9 76 79 A V E +CD 32 65A 6 -11,-3.0 -12,-2.8 -2,-0.5 -11,-1.5 -0.888 22.5 175.3-102.0 119.4 -101.1 -12.5 -90.5 77 80 A F E -CD 31 63A 28 -46,-3.1 -46,-2.9 -2,-0.6 -14,-0.2 -0.832 37.7 -95.3-121.3 156.3 -97.7 -10.9 -91.2 78 81 A E E -C 30 0A 49 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.396 48.0-121.5 -62.0 150.4 -94.4 -12.1 -92.5 79 82 A F - 0 0 36 -50,-0.6 2,-0.3 -58,-0.1 -50,-0.1 -0.818 25.0-169.4-103.6 135.1 -92.0 -12.9 -89.7 80 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.892 25.1-127.3-119.3 156.4 -88.6 -11.2 -89.1 81 84 A H S S+ 0 0 101 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.670 79.5 19.6 -86.3 -15.9 -86.1 -12.5 -86.6 82 85 A Q E -F 132 0B 17 50,-1.3 50,-3.3 211,-0.0 2,-0.3 -0.997 60.8-135.7-153.0 151.0 -85.4 -9.4 -84.5 83 86 A D E > -F 131 0B 42 -2,-0.3 4,-2.1 48,-0.3 3,-0.3 -0.705 30.3-117.7-103.7 150.5 -86.7 -6.0 -83.5 84 87 A L H > S+ 0 0 0 46,-3.1 4,-2.9 43,-0.8 5,-0.2 0.808 112.5 60.8 -59.4 -31.2 -84.5 -2.9 -83.4 85 88 A K H > S+ 0 0 64 42,-0.9 4,-2.2 45,-0.3 -1,-0.2 0.957 107.8 44.1 -57.3 -49.7 -85.2 -2.5 -79.6 86 89 A K H > S+ 0 0 114 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.921 114.0 50.9 -62.6 -43.3 -83.6 -5.9 -78.9 87 90 A F H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.889 109.3 49.7 -62.8 -42.6 -80.7 -5.1 -81.3 88 91 A M H < S+ 0 0 17 -4,-2.9 4,-0.2 2,-0.2 -1,-0.2 0.907 111.8 48.8 -62.9 -41.0 -80.0 -1.7 -79.7 89 92 A D H >< S+ 0 0 88 -4,-2.2 3,-1.2 -5,-0.2 4,-0.2 0.941 113.2 47.4 -62.3 -45.5 -80.0 -3.4 -76.3 90 93 A A H 3< S+ 0 0 72 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.774 116.5 44.3 -64.6 -28.3 -77.7 -6.1 -77.6 91 94 A S T 3X S+ 0 0 14 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.296 81.6 108.0 -95.9 5.4 -75.4 -3.4 -79.2 92 95 A A T <4 S+ 0 0 39 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 0.782 76.0 50.8 -60.2 -31.3 -75.4 -1.1 -76.2 93 96 A L T 4 S+ 0 0 159 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.911 127.4 19.3 -74.7 -48.6 -71.8 -1.8 -75.2 94 97 A T T 4 S- 0 0 114 -3,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.595 105.3-130.4 -92.9 -15.2 -70.1 -1.2 -78.5 95 98 A G < - 0 0 6 -4,-3.0 -3,-0.1 -7,-0.2 99,-0.1 0.195 33.5 -70.3 76.1 156.3 -72.9 0.8 -80.1 96 99 A I - 0 0 13 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.671 61.8-104.5 -78.3 132.4 -74.3 0.2 -83.6 97 100 A P >> - 0 0 80 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.319 26.5-120.6 -59.4 140.7 -71.7 1.1 -86.2 98 101 A L H 3> S+ 0 0 63 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.877 111.8 57.3 -52.9 -42.8 -72.4 4.4 -87.9 99 102 A P H 3> S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.860 110.5 44.7 -58.9 -31.7 -72.6 2.9 -91.4 100 103 A L H <> S+ 0 0 6 -3,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.910 111.2 51.4 -77.1 -44.6 -75.3 0.5 -90.1 101 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.944 112.7 49.0 -51.2 -47.7 -77.2 3.3 -88.3 102 105 A K H X S+ 0 0 14 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.892 110.1 48.2 -63.3 -43.1 -77.1 5.2 -91.6 103 106 A S H X S+ 0 0 3 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.933 112.9 50.0 -63.4 -43.8 -78.3 2.3 -93.8 104 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.928 111.8 46.6 -61.7 -46.9 -81.1 1.7 -91.3 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.941 112.6 51.0 -58.8 -48.1 -82.2 5.4 -91.3 106 109 A F H X S+ 0 0 53 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.901 112.2 45.8 -54.9 -47.7 -82.0 5.5 -95.1 107 110 A Q H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.889 111.4 52.0 -65.4 -42.2 -84.2 2.4 -95.5 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.888 108.9 50.8 -61.9 -40.1 -86.7 3.6 -93.0 109 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.857 108.9 51.9 -63.7 -37.9 -87.0 6.9 -94.8 110 113 A Q H X S+ 0 0 63 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 110.6 48.5 -61.1 -48.7 -87.6 5.0 -98.1 111 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 114.8 44.8 -54.7 -46.4 -90.3 3.0 -96.3 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.896 109.2 55.2 -68.2 -40.8 -91.9 6.2 -95.0 113 116 A A H X S+ 0 0 26 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.893 112.0 46.0 -56.4 -41.4 -91.6 8.0 -98.3 114 117 A F H X S+ 0 0 48 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.955 114.1 45.7 -66.7 -53.4 -93.5 5.1 -99.8 115 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.6 0.924 114.7 48.8 -53.4 -49.5 -96.2 5.0 -97.2 116 119 A H H ><5S+ 0 0 27 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.846 106.4 54.0 -65.7 -36.5 -96.7 8.7 -97.2 117 120 A S H 3<5S+ 0 0 87 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.700 110.8 49.8 -71.5 -18.3 -97.0 9.0 -101.0 118 121 A H T <<5S- 0 0 97 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.231 121.2-112.0 -95.8 6.3 -99.7 6.4 -100.6 119 122 A R T < 5S+ 0 0 222 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.904 72.9 135.1 62.9 43.7 -101.4 8.4 -97.9 120 123 A V < - 0 0 2 -5,-2.3 2,-0.4 -8,-0.2 -1,-0.2 -0.995 37.2-161.6-120.1 129.7 -100.7 5.9 -95.1 121 124 A L - 0 0 26 -2,-0.4 24,-0.3 1,-0.2 58,-0.1 -0.855 14.0-156.5-105.1 143.6 -99.4 7.2 -91.8 122 125 A H + 0 0 0 -2,-0.4 22,-1.9 21,-0.1 2,-0.2 0.931 19.5 176.2 -73.9 -54.5 -97.6 4.9 -89.3 123 126 A R + 0 0 44 20,-0.1 -1,-0.1 1,-0.1 20,-0.1 0.072 67.8 65.7 74.1 -22.2 -98.5 7.1 -86.2 124 127 A D + 0 0 14 -2,-0.2 5,-0.1 18,-0.1 -1,-0.1 0.096 64.9 159.0-107.0 6.3 -96.9 4.5 -83.9 125 128 A L + 0 0 4 40,-0.1 40,-0.1 3,-0.1 3,-0.1 -0.162 12.9 134.5 -52.0 138.1 -93.1 4.4 -84.7 126 129 A K > - 0 0 19 1,-0.1 3,-2.1 38,-0.1 4,-0.3 -0.952 67.8 -93.9-173.3 156.7 -90.8 3.0 -82.1 127 130 A P G > S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 -42,-0.9 0.840 122.7 58.0 -51.4 -34.2 -87.8 0.6 -81.9 128 131 A Q G 3 S+ 0 0 98 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.759 104.7 52.8 -65.7 -24.6 -90.2 -2.3 -81.0 129 132 A N G < S+ 0 0 7 -3,-2.1 12,-2.1 -5,-0.1 2,-0.5 0.293 92.8 84.9 -92.9 3.0 -92.0 -1.7 -84.3 130 133 A L E < - G 0 140B 0 -3,-1.5 -46,-3.1 -4,-0.3 2,-0.4 -0.960 64.6-162.1-112.2 124.0 -88.9 -1.8 -86.5 131 134 A L E -FG 83 139B 33 8,-2.6 8,-2.4 -2,-0.5 2,-0.3 -0.874 4.0-164.5-115.7 137.2 -87.8 -5.3 -87.6 132 135 A I E -FG 82 138B 0 -50,-3.3 -50,-1.3 -2,-0.4 -51,-0.4 -0.825 1.8-157.7-119.3 156.9 -84.5 -6.4 -88.9 133 136 A N > - 0 0 33 4,-1.5 3,-1.3 -2,-0.3 -53,-0.1 -0.727 37.2 -98.3-122.3 178.0 -83.1 -9.4 -90.8 134 137 A T T 3 S+ 0 0 75 1,-0.2 159,-0.1 -2,-0.2 -2,-0.0 0.675 115.2 62.2 -67.7 -19.2 -79.8 -11.1 -91.3 135 138 A E T 3 S- 0 0 124 155,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.389 119.7 -98.8 -93.2 4.2 -79.2 -9.5 -94.7 136 139 A G S < S+ 0 0 0 -3,-1.3 2,-0.1 1,-0.3 -2,-0.1 0.506 77.7 135.2 96.7 4.3 -79.2 -5.9 -93.4 137 140 A A - 0 0 11 151,-0.1 -4,-1.5 -30,-0.0 2,-0.3 -0.471 35.1-163.1 -79.1 155.2 -82.8 -4.9 -94.2 138 141 A I E - G 0 132B 0 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.992 8.5-164.6-136.5 143.3 -85.0 -3.0 -91.8 139 142 A K E - G 0 131B 28 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.985 22.5-121.0-136.3 142.4 -88.8 -2.8 -92.1 140 143 A L E +eG 60 130B 0 -81,-3.1 -79,-2.9 -2,-0.4 2,-0.3 -0.613 43.8 173.6 -74.3 132.3 -91.7 -0.8 -90.7 141 144 A A + 0 0 10 -12,-2.1 3,-0.1 -2,-0.3 -79,-0.0 -0.893 42.7 32.6-138.5 165.8 -94.2 -3.0 -88.8 142 145 A D S S- 0 0 22 -2,-0.3 -1,-0.2 1,-0.1 -128,-0.1 0.921 70.8-152.3 55.3 50.8 -97.3 -2.9 -86.7 143 146 A F - 0 0 19 1,-0.1 -1,-0.1 -3,-0.1 -20,-0.1 -0.315 1.5-148.3 -54.7 138.1 -98.7 0.2 -88.3 144 147 A G - 0 0 8 -22,-1.9 -1,-0.1 -3,-0.1 -22,-0.1 0.310 18.1-174.6 -95.4 15.8 -100.8 1.8 -85.6 145 148 A L - 0 0 18 -24,-0.3 5,-0.3 1,-0.2 -22,-0.1 0.370 12.2-169.4 -49.7 124.9 -103.5 3.4 -87.7 146 149 A A S >S+ 0 0 20 3,-0.1 5,-0.5 5,-0.1 2,-0.3 0.332 86.2 42.2 -95.6 -0.5 -105.7 5.4 -85.3 147 150 A R B 5S+H 150 0C 133 1,-0.3 3,-0.2 3,-0.2 -102,-0.0 -0.877 101.6 56.4-129.4 160.4 -108.1 5.8 -88.1 148 151 A A T 5S- 0 0 7 1,-0.6 2,-0.4 -2,-0.3 -1,-0.3 0.946 148.9 -14.9 61.0 75.5 -108.5 2.6 -90.0 149 152 A F T 5S- 0 0 62 -3,-0.2 -1,-0.6 2,-0.0 2,-0.3 -0.763 102.9-131.9 68.2-134.6 -109.4 1.5 -86.5 150 153 A G B 5 -H 147 0C 20 -2,-0.4 -3,-0.2 -5,-0.3 -4,-0.0 -0.972 24.1 -47.1 170.2-170.7 -108.4 4.0 -83.9 151 154 A V < + 0 0 118 -5,-0.5 2,-0.2 -2,-0.3 -5,-0.1 -0.790 34.3 179.2-109.5 116.9 -106.7 4.6 -80.6 152 155 A P - 0 0 46 0, 0.0 -137,-0.0 0, 0.0 -6,-0.0 -0.469 36.7-124.1 -90.5 177.4 -107.0 2.8 -77.2 153 156 A V S S+ 0 0 122 -2,-0.2 8,-0.4 2,-0.0 2,-0.2 0.349 94.1 24.6 -95.6 2.3 -105.0 3.8 -74.1 154 157 A R - 0 0 159 1,-0.2 6,-0.1 -140,-0.1 3,-0.0 -0.613 68.8-128.5-141.4-171.0 -103.8 0.2 -73.9 155 158 A T S S- 0 0 2 -2,-0.2 -119,-0.3 4,-0.1 -1,-0.2 0.522 79.4 -52.5-111.1 -72.5 -103.1 -2.9 -75.9 156 159 A Y S S+ 0 0 114 -143,-0.2 2,-0.4 -140,-0.2 -139,-0.0 0.491 113.7 9.0-129.6 -68.4 -104.9 -5.8 -74.1 157 160 A T S S- 0 0 50 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.961 116.3 -38.1-133.3 117.4 -104.0 -6.0 -70.4 158 161 A H S S+ 0 0 149 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.783 81.3 149.1 45.5 46.2 -102.1 -3.7 -68.2 159 162 A E - 0 0 72 -145,-0.1 2,-0.7 -146,-0.0 -1,-0.2 -0.927 42.6-129.6-116.2 139.6 -99.4 -2.6 -70.7 160 163 A V - 0 0 136 -2,-0.4 2,-0.1 -6,-0.1 -6,-0.1 -0.746 16.9-133.8-103.6 110.8 -97.8 0.8 -70.6 161 164 A V - 0 0 67 -2,-0.7 2,-0.4 -8,-0.4 -147,-0.0 -0.292 17.6-126.5 -67.4 128.3 -97.6 2.9 -73.8 162 165 A T - 0 0 38 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.592 23.6-178.3 -75.2 126.3 -94.3 4.6 -74.6 163 166 A L > + 0 0 18 39,-0.4 3,-1.7 -2,-0.4 -1,-0.1 0.412 56.4 103.2 -95.9 -2.9 -94.6 8.3 -75.2 164 167 A W T 3 S+ 0 0 75 1,-0.3 36,-0.2 38,-0.2 -1,-0.1 0.735 84.3 39.6 -58.1 -32.9 -91.0 8.7 -76.0 165 168 A Y T 3 S+ 0 0 17 -3,-0.2 2,-0.3 -40,-0.1 -1,-0.3 0.340 84.5 125.1 -99.2 1.9 -91.4 9.0 -79.8 166 169 A R < - 0 0 53 -3,-1.7 16,-0.1 1,-0.1 -42,-0.1 -0.482 62.3-120.2 -73.1 126.8 -94.6 11.1 -79.9 167 170 A A >> - 0 0 0 -2,-0.3 4,-1.6 14,-0.1 3,-0.9 -0.284 21.8-118.2 -62.1 147.2 -94.5 14.4 -82.0 168 171 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.848 111.5 62.3 -62.4 -32.3 -95.1 17.6 -80.0 169 172 A E H 34>S+ 0 0 8 1,-0.2 5,-2.5 2,-0.2 -3,-0.0 0.857 104.6 48.7 -62.8 -30.7 -98.2 18.4 -82.1 170 173 A I H X45S+ 0 0 23 -3,-0.9 3,-1.6 3,-0.2 -1,-0.2 0.933 110.5 50.0 -69.8 -45.3 -99.9 15.2 -80.8 171 174 A L H 3<5S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.767 106.6 56.1 -62.1 -27.8 -99.0 16.0 -77.2 172 175 A L T 3<5S- 0 0 0 -4,-1.8 60,-2.8 59,-0.0 61,-0.4 0.301 123.9-104.8 -91.5 5.2 -100.4 19.5 -77.6 173 176 A G T < 5 + 0 0 16 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.712 55.0 169.0 86.7 26.3 -103.7 18.0 -78.6 174 177 A C < - 0 0 35 -5,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.489 24.9-152.0 -69.3 138.4 -103.9 18.4 -82.4 175 178 A K S S+ 0 0 131 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.815 77.7 58.2 -80.7 -30.9 -106.8 16.3 -83.8 176 179 A Y S S- 0 0 190 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.886 72.1-155.2-108.5 113.3 -105.4 15.8 -87.3 177 180 A Y - 0 0 66 -2,-0.6 2,-0.3 -3,-0.1 -2,-0.0 -0.483 8.3-158.8 -77.7 154.0 -102.0 14.1 -87.7 178 181 A S > - 0 0 47 -2,-0.1 3,-2.0 -55,-0.0 4,-0.4 -0.769 39.8 -94.2-118.9 178.0 -99.8 14.7 -90.7 179 182 A T T >> S+ 0 0 56 1,-0.3 3,-1.2 -2,-0.3 4,-1.0 0.739 116.5 79.0 -60.0 -22.7 -97.0 12.6 -92.2 180 183 A A H 3> S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.776 78.2 68.4 -57.4 -28.5 -94.7 14.9 -90.2 181 184 A V H <> S+ 0 0 1 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.860 99.0 49.8 -62.5 -33.3 -95.5 12.8 -87.0 182 185 A D H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.4 -1,-0.2 0.836 107.1 53.2 -73.0 -35.0 -93.6 9.8 -88.4 183 186 A I H X S+ 0 0 2 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.913 107.9 52.3 -65.9 -42.0 -90.5 11.9 -89.3 184 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.968 111.1 46.0 -53.8 -54.4 -90.5 13.2 -85.7 185 188 A S H X S+ 0 0 6 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.885 112.6 50.3 -58.8 -41.5 -90.6 9.6 -84.3 186 189 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.864 107.8 54.0 -68.2 -35.0 -87.9 8.4 -86.7 187 190 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 76,-0.2 -1,-0.2 0.912 107.8 49.9 -62.4 -42.8 -85.7 11.4 -85.7 188 191 A C H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 11,-0.4 0.883 111.8 49.2 -62.1 -37.2 -86.1 10.3 -82.1 189 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.910 108.0 53.2 -68.1 -42.2 -85.1 6.8 -83.1 190 193 A F H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.905 109.4 49.2 -57.5 -48.5 -82.0 8.0 -85.1 191 194 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.884 110.2 51.5 -59.4 -40.7 -80.7 9.9 -82.0 192 195 A E H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 5,-0.3 0.870 106.8 52.0 -68.1 -38.3 -81.2 6.9 -79.8 193 196 A M H < S+ 0 0 3 -4,-2.2 -97,-0.6 2,-0.2 -1,-0.2 0.920 114.8 45.5 -60.7 -41.3 -79.3 4.6 -82.2 194 197 A V H < S+ 0 0 18 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.946 124.7 26.8 -70.0 -52.3 -76.4 7.1 -82.1 195 198 A T H < S- 0 0 45 -4,-2.8 -1,-0.2 2,-0.3 -3,-0.2 0.663 95.8-128.8 -89.2 -14.5 -76.2 7.9 -78.4 196 199 A R S < S+ 0 0 128 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.769 79.0 94.5 65.2 27.3 -77.5 4.6 -77.0 197 200 A R S S- 0 0 203 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.2 -0.989 87.2-100.3-142.1 143.7 -80.0 6.5 -74.9 198 201 A A - 0 0 22 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.331 29.8-144.2 -55.8 138.0 -83.6 7.5 -75.5 199 202 A L S S+ 0 0 30 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.937 89.3 17.6 -74.4 -45.2 -83.7 11.1 -76.5 200 203 A F S S+ 0 0 3 -36,-0.2 2,-1.8 2,-0.1 -1,-0.3 -0.722 70.8 179.0-130.1 77.3 -86.9 12.1 -74.8 201 204 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 -37,-0.0 -0.482 13.2-179.1 -87.7 75.3 -87.8 9.5 -72.1 202 205 A G - 0 0 5 -2,-1.8 -39,-0.4 1,-0.1 -38,-0.2 -0.410 24.5-161.8 -71.5 141.5 -91.0 11.0 -70.7 203 206 A D S S+ 0 0 129 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.484 79.7 15.9 -97.1 -5.2 -92.8 9.2 -67.9 204 207 A S S > S- 0 0 45 1,-0.1 4,-2.2 -41,-0.0 5,-0.2 -0.929 88.9 -95.7-152.2 176.7 -96.0 11.1 -68.5 205 208 A E H > S+ 0 0 107 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.937 124.3 39.7 -65.8 -45.1 -97.6 13.2 -71.2 206 209 A I H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.843 114.6 52.6 -74.6 -33.7 -96.5 16.5 -69.7 207 210 A D H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 109.7 51.2 -66.9 -34.8 -93.1 15.2 -68.7 208 211 A Q H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.952 112.6 45.2 -62.7 -51.1 -92.7 14.1 -72.3 209 212 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.910 114.2 48.4 -56.1 -46.2 -93.7 17.6 -73.5 210 213 A F H X S+ 0 0 36 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.805 107.4 55.2 -73.0 -29.2 -91.4 19.3 -71.0 211 214 A R H X S+ 0 0 88 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.884 109.7 47.2 -65.5 -41.2 -88.5 17.0 -71.8 212 215 A I H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.941 113.7 48.7 -62.7 -48.0 -88.8 18.1 -75.5 213 216 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.900 106.7 55.0 -58.6 -44.4 -89.1 21.8 -74.4 214 217 A R H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.832 118.5 35.0 -61.3 -36.3 -86.0 21.6 -72.1 215 218 A T H < S+ 0 0 32 -4,-1.3 28,-2.4 -3,-0.3 -2,-0.2 0.901 130.1 28.1 -81.2 -48.9 -83.9 20.3 -75.0 216 219 A L H < S- 0 0 8 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.476 115.3-102.8 -96.8 -2.8 -85.3 22.1 -78.1 217 220 A G < - 0 0 6 -4,-2.1 24,-0.2 24,-0.4 -1,-0.2 0.158 45.2 -69.9 93.3 147.1 -86.5 25.2 -76.3 218 221 A T - 0 0 5 22,-2.6 24,-0.1 -4,-0.1 -8,-0.0 -0.579 62.4-119.0 -68.8 127.1 -90.1 26.0 -75.4 219 222 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.357 37.1 177.9 -72.5 151.5 -91.8 26.7 -78.7 220 223 A D > - 0 0 51 -3,-0.0 4,-2.5 -2,-0.0 7,-0.2 -0.763 49.0 -83.0-135.7-175.2 -93.4 30.1 -79.4 221 224 A E T 4 S+ 0 0 78 -2,-0.2 6,-0.1 1,-0.2 0, 0.0 0.746 122.4 62.5 -65.8 -25.0 -95.1 31.8 -82.3 222 225 A V T 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.968 117.5 24.6 -62.7 -56.3 -91.8 32.7 -83.9 223 226 A V T 4 S+ 0 0 68 1,-0.2 44,-0.4 -3,-0.1 -2,-0.2 0.798 138.3 28.7 -80.1 -26.0 -90.6 29.1 -84.4 224 227 A W S >< S- 0 0 10 -4,-2.5 3,-2.6 42,-0.1 4,-0.3 -0.642 76.4-153.6-141.3 77.8 -94.1 27.6 -84.6 225 228 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.287 86.5 21.7 -55.0 129.9 -96.9 29.9 -85.8 226 229 A G T > S+ 0 0 35 41,-0.0 3,-2.0 4,-0.0 4,-0.3 0.109 87.7 116.2 100.0 -20.8 -100.2 28.7 -84.3 227 230 A V G X S+ 0 0 0 -3,-2.6 3,-1.8 1,-0.3 6,-0.1 0.853 70.9 55.1 -52.2 -42.9 -98.6 26.9 -81.4 228 231 A T G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -4,-0.3 -7,-0.0 0.564 105.1 56.1 -72.6 -8.7 -100.1 29.1 -78.7 229 232 A S G < S+ 0 0 105 -3,-2.0 -1,-0.3 5,-0.1 -2,-0.2 0.393 80.3 120.5 -97.2 -0.2 -103.6 28.4 -80.1 230 233 A M S X S- 0 0 24 -3,-1.8 3,-1.6 -4,-0.3 -57,-0.1 -0.340 75.4-110.8 -74.4 151.7 -103.3 24.6 -79.8 231 234 A P T 3 S+ 0 0 66 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.767 113.5 31.3 -53.4 -41.9 -105.9 22.7 -77.7 232 235 A D T 3 S+ 0 0 71 -60,-2.8 2,-0.2 2,-0.0 -59,-0.2 0.290 90.0 117.9 -99.6 3.1 -103.5 21.6 -74.9 233 236 A Y < - 0 0 44 -3,-1.6 3,-0.0 -61,-0.4 -5,-0.0 -0.549 44.5-166.8 -68.3 135.7 -101.1 24.6 -75.0 234 237 A K > - 0 0 102 -2,-0.2 3,-2.2 1,-0.1 -5,-0.1 -0.994 26.1-140.7-123.9 138.6 -101.0 26.6 -71.8 235 238 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.736 102.5 70.0 -63.1 -18.2 -99.5 30.1 -71.4 236 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.452 68.5 122.8 -82.6 -1.0 -98.3 28.8 -68.1 237 240 A F S < S- 0 0 20 -3,-2.2 -19,-0.0 1,-0.1 -4,-0.0 -0.367 73.6-105.6 -54.8 135.9 -95.8 26.4 -69.7 238 241 A P - 0 0 55 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.349 30.0-123.1 -62.6 149.6 -92.3 27.2 -68.4 239 242 A K - 0 0 133 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.823 32.8-178.4-100.8 108.1 -90.0 28.9 -70.9 240 243 A W - 0 0 68 -2,-0.8 -22,-2.6 -21,-0.0 2,-0.2 -0.803 24.3-125.5-101.2 141.8 -86.8 26.9 -71.5 241 244 A A - 0 0 79 -2,-0.4 -24,-0.4 -24,-0.2 2,-0.1 -0.617 37.1 -97.2 -81.1 146.7 -84.1 28.1 -73.8 242 245 A R - 0 0 118 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.392 38.8-124.2 -62.0 136.0 -83.0 25.8 -76.6 243 246 A Q - 0 0 77 -28,-2.4 2,-0.1 1,-0.1 -1,-0.1 -0.506 35.3 -90.9 -75.4 150.4 -79.8 23.7 -75.8 244 247 A D > - 0 0 105 -2,-0.2 3,-1.4 1,-0.1 4,-0.4 -0.443 38.3-132.4 -55.2 133.3 -76.9 23.9 -78.1 245 248 A F G >> S+ 0 0 26 1,-0.3 4,-0.9 2,-0.2 3,-0.9 0.725 99.2 69.3 -69.2 -21.0 -77.5 21.0 -80.5 246 249 A S G 34 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.620 93.9 58.4 -72.9 -15.5 -74.0 19.6 -80.2 247 250 A K G <4 S+ 0 0 141 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.734 99.2 64.0 -75.6 -28.8 -74.8 18.5 -76.7 248 251 A V T <4 S+ 0 0 22 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.1 0.922 116.0 10.5 -71.5 -52.9 -77.7 16.4 -78.0 249 252 A V S >< S- 0 0 0 -4,-0.9 3,-2.8 3,-0.1 -1,-0.2 -0.373 85.9-161.8-131.0 58.5 -76.2 13.7 -80.2 250 253 A P T 3 + 0 0 67 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.596 70.0 22.8 -78.2 151.6 -72.5 13.6 -79.7 251 254 A P T 3 S+ 0 0 127 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.543 87.6 122.0 -98.4 60.4 -70.5 12.4 -81.4 252 255 A L < - 0 0 4 -3,-2.8 -3,-0.1 -6,-0.1 5,-0.0 -0.566 64.5-114.9 -73.7 140.6 -72.7 12.5 -84.6 253 256 A D > - 0 0 62 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.103 30.4 -95.9 -71.8 176.5 -71.0 14.5 -87.4 254 257 A E H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.827 122.8 55.2 -67.3 -34.0 -72.4 17.8 -88.7 255 258 A D H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.938 111.8 44.8 -61.8 -46.2 -74.3 16.2 -91.7 256 259 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.915 114.6 47.7 -62.7 -44.9 -76.1 13.9 -89.2 257 260 A R H X S+ 0 0 56 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.889 110.6 52.5 -64.4 -39.0 -76.9 16.7 -86.8 258 261 A S H X S+ 0 0 38 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.950 112.4 44.4 -62.8 -48.8 -78.1 18.9 -89.6 259 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.934 113.8 50.5 -60.3 -45.3 -80.5 16.2 -90.8 260 263 A L H >X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-0.6 0.940 106.1 55.2 -61.0 -45.8 -81.7 15.4 -87.3 261 264 A S H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 108.7 49.4 -56.0 -36.0 -82.3 19.0 -86.6 262 265 A Q H >< S+ 0 0 67 -4,-1.6 10,-2.2 1,-0.2 3,-0.7 0.788 108.9 50.7 -73.5 -26.7 -84.6 19.1 -89.6 263 266 A M H << S+ 0 0 0 -4,-1.5 -76,-0.2 -3,-0.6 -1,-0.2 0.665 112.2 50.6 -79.6 -22.6 -86.5 15.9 -88.6 264 267 A L T 3< S+ 0 0 3 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.099 74.8 136.7 -98.4 8.8 -87.0 17.6 -85.2 265 268 A H < - 0 0 65 -3,-0.7 6,-0.1 1,-0.1 -3,-0.1 -0.443 53.9-135.5 -56.2 139.1 -88.4 21.0 -86.2 266 269 A Y S S+ 0 0 20 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.950 87.0 75.3 -61.8 -51.8 -91.4 22.0 -84.0 267 270 A D S >> S- 0 0 13 -44,-0.4 4,-1.8 1,-0.2 3,-1.3 -0.506 75.6-146.4 -69.0 117.3 -93.6 23.2 -86.9 268 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.796 101.0 56.1 -52.7 -28.0 -95.0 20.2 -88.7 269 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.755 108.7 43.0 -76.6 -29.4 -94.8 22.3 -91.8 270 273 A K T <4 S+ 0 0 108 -3,-1.3 -1,-0.2 2,-0.1 3,-0.1 0.690 89.9 108.9 -83.2 -21.2 -91.1 23.1 -91.5 271 274 A R S < S- 0 0 13 -4,-1.8 -8,-0.2 -6,-0.1 -9,-0.1 -0.333 81.0-105.6 -63.1 131.2 -90.3 19.4 -90.5 272 275 A I - 0 0 21 -10,-2.2 2,-0.2 -13,-0.2 -1,-0.1 -0.198 31.1-122.7 -60.5 143.7 -88.4 17.7 -93.4 273 276 A S > - 0 0 59 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.496 20.2-116.2 -79.2 158.9 -90.3 15.2 -95.6 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -161,-0.2 0.915 117.7 53.7 -60.7 -40.9 -89.1 11.6 -95.9 275 278 A K H 4 S+ 0 0 171 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.936 112.2 41.8 -58.5 -49.1 -88.6 12.3 -99.6 276 279 A A H >4 S+ 0 0 47 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.872 108.5 60.7 -68.3 -35.2 -86.4 15.4 -99.0 277 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.864 96.6 60.6 -59.0 -36.7 -84.6 13.6 -96.1 278 281 A L T 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.725 102.9 52.6 -64.5 -20.3 -83.4 10.9 -98.6 279 282 A A T < S+ 0 0 82 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.474 81.4 120.4 -95.4 -2.9 -81.6 13.7 -100.6 280 283 A H S X S- 0 0 17 -3,-1.6 3,-2.0 -4,-0.4 4,-0.1 -0.323 75.3-118.9 -61.3 143.5 -79.7 15.1 -97.5 281 284 A P G > S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.606 106.1 80.3 -58.7 -16.3 -75.9 15.0 -97.9 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.2 -26,-0.1 0.828 93.7 48.6 -58.7 -31.8 -75.8 12.7 -94.8 283 286 A F G X S+ 0 0 10 -3,-2.0 3,-1.6 -6,-0.2 -1,-0.2 0.369 77.6 102.2 -93.2 3.8 -76.7 9.8 -97.2 284 287 A Q T < S+ 0 0 177 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.891 93.5 34.4 -53.4 -43.8 -74.1 10.6 -99.9 285 288 A D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.198 87.7 146.2 -95.0 8.5 -71.9 7.8 -98.6 286 289 A V < + 0 0 42 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.198 18.2 169.9 -51.6 137.7 -74.7 5.4 -97.6 287 290 A T - 0 0 83 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.783 38.2-110.5-134.4-179.2 -74.0 1.6 -98.0 288 291 A K - 0 0 134 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.710 39.5-178.6-122.0 80.6 -75.8 -1.6 -96.9 289 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.288 27.8-114.5 -75.5 162.7 -73.8 -3.3 -94.2 290 293 A V - 0 0 104 -154,-0.0 2,-0.1 -2,-0.0 -155,-0.1 -0.864 27.7-130.9 -99.7 129.1 -74.7 -6.6 -92.6 291 294 A P - 0 0 8 0, 0.0 2,-0.9 0, 0.0 -155,-0.1 -0.439 16.4-119.0 -76.0 153.2 -75.6 -6.6 -88.8 292 295 A H - 0 0 155 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.828 44.2-174.9 -91.9 109.3 -74.1 -9.1 -86.4 293 296 A L - 0 0 26 -2,-0.9 2,-0.7 -159,-0.1 -206,-0.0 -0.911 22.3-159.7-118.0 125.0 -77.3 -10.7 -85.2 294 297 A R 0 0 196 -2,-0.5 -204,-0.0 1,-0.1 -2,-0.0 -0.918 360.0 360.0-102.2 111.3 -77.6 -13.3 -82.5 295 298 A L 0 0 134 -2,-0.7 -1,-0.1 -213,-0.0 0, 0.0 0.698 360.0 360.0-102.6 360.0 -80.9 -15.2 -82.9