==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ONCOGENE PROTEIN 26-DEC-97 1A2B . COMPND 2 MOLECULE: TRANSFORMING PROTEIN RHOA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.IHARA,S.MURAGUCHI,M.KATO,T.SHIMIZU,M.SHIRAKAWA,S.KURODA, . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 0 0 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 1 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 0 0 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 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 4 A I 0 0 105 0, 0.0 50,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.1 21.7 30.4 0.7 2 5 A R E +a 51 0A 170 48,-0.2 2,-0.3 50,-0.1 50,-0.2 -0.785 360.0 174.0-100.6 137.2 18.8 31.4 2.9 3 6 A K E -a 52 0A 46 48,-2.3 50,-2.4 -2,-0.4 2,-0.4 -0.983 19.4-141.9-139.7 149.7 16.8 29.0 5.1 4 7 A K E -a 53 0A 24 -2,-0.3 71,-2.1 69,-0.2 72,-1.4 -0.924 17.8-176.5-115.5 137.5 14.0 29.4 7.7 5 8 A L E -ab 54 76A 1 48,-2.9 50,-2.6 -2,-0.4 2,-0.4 -0.994 10.5-156.9-138.8 141.9 13.6 27.5 10.9 6 9 A V E -ab 55 77A 0 70,-1.6 72,-2.1 -2,-0.4 2,-0.4 -0.959 7.7-150.6-119.4 133.8 11.0 27.3 13.7 7 10 A I E + b 0 78A 0 48,-1.8 2,-0.3 -2,-0.4 50,-0.2 -0.832 21.3 171.8-104.3 138.6 11.5 26.2 17.3 8 11 A V E + b 0 79A 0 70,-2.2 72,-2.9 -2,-0.4 2,-0.3 -0.990 13.9 107.9-146.5 152.9 8.7 24.6 19.4 9 12 A G E - b 0 80A 0 -2,-0.3 72,-0.2 70,-0.2 3,-0.1 -0.890 59.6 -39.6 161.1 176.5 8.1 22.8 22.7 10 13 A D S > S- 0 0 29 70,-0.5 3,-1.0 -2,-0.3 5,-0.3 0.204 74.7 -69.0 -57.2 174.3 6.7 23.2 26.3 11 14 A V T 3 S- 0 0 75 48,-0.4 -1,-0.1 1,-0.2 77,-0.1 -0.437 114.1 -1.4 -69.9 135.8 6.8 26.2 28.6 12 15 A A T 3 S+ 0 0 48 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.834 84.8 134.6 52.0 41.6 10.2 27.1 29.9 13 16 A C S < S- 0 0 2 -3,-1.0 -1,-0.1 -4,-0.1 68,-0.1 0.366 83.0 -96.8 -97.2 4.7 12.0 24.2 28.2 14 17 A G S > S+ 0 0 21 -4,-0.1 4,-2.3 100,-0.1 5,-0.2 0.485 77.7 140.4 96.2 7.2 14.8 26.5 27.1 15 18 A K H > S+ 0 0 13 -5,-0.3 4,-1.7 1,-0.2 43,-0.1 0.894 76.9 38.9 -45.7 -55.2 13.6 27.3 23.5 16 19 A T H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.941 111.2 53.7 -64.9 -56.0 14.7 31.0 23.7 17 20 A C H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.927 108.8 53.6 -48.2 -44.7 17.9 30.7 25.7 18 21 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.950 111.2 43.8 -54.5 -55.8 19.1 28.2 23.0 19 22 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.813 115.5 48.0 -61.1 -35.0 18.4 30.6 20.1 20 23 A I H X S+ 0 0 15 -4,-2.6 4,-1.8 2,-0.2 5,-0.5 0.911 110.3 51.2 -73.1 -44.4 19.9 33.6 21.8 21 24 A V H >X S+ 0 0 4 -4,-2.9 4,-2.7 -5,-0.3 3,-1.0 0.987 110.9 49.0 -54.7 -57.8 23.1 31.8 22.9 22 25 A F H 3< S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 123.1 30.2 -53.8 -35.7 23.6 30.5 19.3 23 26 A S H 3< S+ 0 0 25 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.445 135.7 21.8-108.2 0.7 23.1 34.0 17.7 24 27 A K H << S- 0 0 105 -4,-1.8 -3,-0.2 -3,-1.0 -2,-0.2 0.329 86.7-133.0-143.0 -4.7 24.4 36.4 20.3 25 28 A D S < S+ 0 0 109 -4,-2.7 2,-0.3 -5,-0.5 -4,-0.2 0.305 71.5 112.5 63.9 -9.5 26.6 34.4 22.6 26 29 A Q - 0 0 134 -6,-0.5 -2,-0.2 -5,-0.1 -1,-0.2 -0.666 64.9-135.9 -96.4 148.8 24.9 35.8 25.7 27 30 A F - 0 0 78 -2,-0.3 -10,-0.1 -3,-0.1 -9,-0.1 -0.910 33.8-112.9-105.6 105.9 22.7 33.8 28.0 28 31 A P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.022 21.6-156.0 -40.1 129.9 19.5 35.8 28.9 29 32 A E S S+ 0 0 180 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 0.901 74.9 46.7 -77.6 -50.8 19.4 36.9 32.6 30 33 A V S S- 0 0 115 2,-0.0 2,-0.6 0, 0.0 -1,-0.1 -0.877 79.6-132.6-103.0 128.3 15.6 37.3 33.1 31 34 A Y + 0 0 146 -2,-0.5 -2,-0.0 -3,-0.1 0, 0.0 -0.676 30.2 173.6 -79.6 117.1 13.1 34.7 31.9 32 35 A V - 0 0 101 -2,-0.6 -2,-0.0 0, 0.0 0, 0.0 -0.995 34.7-116.3-125.6 122.0 10.3 36.3 30.0 33 36 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 25,-0.1 -0.340 35.5-118.7 -57.0 140.9 7.7 34.1 28.3 34 37 A T + 0 0 23 23,-0.2 26,-0.3 1,-0.2 25,-0.2 -0.679 32.5 176.7 -88.7 138.5 7.7 34.5 24.5 35 38 A V S S- 0 0 66 1,-0.4 23,-0.5 -2,-0.3 2,-0.3 0.793 76.4 -49.3 -96.4 -52.3 4.7 35.7 22.4 36 39 A F E +C 57 0A 142 21,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.902 62.4 175.5-178.1 153.8 6.8 35.6 19.2 37 40 A E E -C 56 0A 96 19,-1.3 19,-2.3 -2,-0.3 2,-0.4 -0.976 16.6-139.5-163.1 160.7 10.2 36.8 18.0 38 41 A N E +C 55 0A 76 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.984 19.4 172.5-132.9 144.7 12.6 36.7 15.1 39 42 A Y E -C 54 0A 51 15,-1.2 15,-3.1 -2,-0.4 2,-0.3 -0.934 14.7-151.0-144.0 165.6 16.4 36.3 14.8 40 43 A V E +C 53 0A 89 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.954 17.9 161.5-139.3 153.1 19.1 35.9 12.2 41 44 A A E -C 52 0A 14 11,-1.0 11,-3.1 -2,-0.3 2,-0.3 -0.938 28.3-125.1-165.5 154.3 22.5 34.2 12.2 42 45 A D E +C 51 0A 94 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.759 25.5 179.6-108.2 155.9 25.0 32.9 9.6 43 46 A I E -C 50 0A 5 7,-1.4 7,-2.7 -2,-0.3 2,-0.5 -0.985 20.8-148.0-158.4 143.5 26.6 29.4 9.4 44 47 A E E +C 49 0A 144 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.964 24.1 167.6-114.0 125.1 29.0 27.5 7.2 45 48 A V E > S-C 48 0A 8 3,-1.7 3,-2.0 -2,-0.5 -2,-0.1 -0.990 70.9 -9.7-140.1 128.5 28.4 23.8 6.9 46 49 A D T 3 S- 0 0 109 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.825 129.3 -56.1 52.8 36.5 30.1 21.5 4.3 47 50 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.070 109.8 123.9 88.2 -26.1 31.5 24.6 2.6 48 51 A K E < - C 0 45A 110 -3,-2.0 -3,-1.7 1,-0.0 2,-0.6 -0.417 55.9-139.1 -72.4 142.8 28.1 26.2 2.1 49 52 A Q E - C 0 44A 85 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.909 27.1-177.1-102.3 121.3 27.2 29.7 3.4 50 53 A V E - C 0 43A 0 -7,-2.7 -7,-1.4 -2,-0.6 2,-0.4 -0.971 22.1-150.1-130.9 125.1 23.7 29.9 4.9 51 54 A E E -aC 2 42A 40 -50,-1.9 -48,-2.3 -2,-0.4 2,-0.5 -0.735 26.0-148.2 -85.9 132.5 21.7 32.8 6.4 52 55 A L E -aC 3 41A 5 -11,-3.1 -11,-1.0 -2,-0.4 2,-0.7 -0.898 12.5-153.2-115.4 131.2 19.3 31.5 9.0 53 56 A A E -aC 4 40A 25 -50,-2.4 -48,-2.9 -2,-0.5 2,-0.8 -0.868 14.8-162.2 -97.7 113.7 15.9 32.8 10.0 54 57 A L E -aC 5 39A 0 -15,-3.1 -15,-1.2 -2,-0.7 2,-0.7 -0.817 4.4-169.5-103.8 97.5 15.2 31.9 13.6 55 58 A W E -aC 6 38A 70 -50,-2.6 -48,-1.8 -2,-0.8 2,-0.3 -0.782 8.7-156.6 -90.5 112.8 11.5 32.2 14.4 56 59 A D E - C 0 37A 4 -19,-2.3 -19,-1.3 -2,-0.7 2,-0.3 -0.626 12.9-168.1 -87.2 143.2 10.9 31.9 18.2 57 60 A T E - C 0 36A 3 -2,-0.3 2,-0.3 -50,-0.2 -23,-0.2 -0.863 21.7-103.4-129.5 171.2 7.4 30.7 19.4 58 61 A A - 0 0 3 -23,-0.5 -49,-0.2 -2,-0.3 -23,-0.1 -0.669 11.5-161.7 -95.8 144.2 5.4 30.5 22.6 59 62 A G + 0 0 14 -2,-0.3 -48,-0.4 -25,-0.2 2,-0.1 0.433 59.4 110.0 -99.9 -5.6 4.9 27.3 24.5 60 63 A Q S > S- 0 0 56 -26,-0.3 3,-1.3 -50,-0.1 4,-0.1 -0.456 71.5-132.5 -74.7 146.5 1.9 28.7 26.4 61 64 A E G > S+ 0 0 125 1,-0.3 3,-2.9 2,-0.2 4,-0.2 0.924 102.3 70.1 -58.9 -46.5 -1.7 27.5 25.8 62 65 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.630 100.5 48.5 -47.8 -19.5 -2.9 31.1 25.6 63 66 A Y G X> + 0 0 64 -3,-1.3 4,-2.1 1,-0.1 3,-1.4 0.399 69.4 114.0-110.0 8.4 -1.1 31.5 22.3 64 67 A D T <4 S+ 0 0 47 -3,-2.9 -1,-0.1 1,-0.3 -2,-0.1 0.771 77.8 55.5 -47.4 -33.0 -2.2 28.4 20.4 65 68 A R T 34 S+ 0 0 211 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.815 112.4 37.6 -73.8 -34.7 -4.0 30.6 17.9 66 69 A L T X4 S+ 0 0 58 -3,-1.4 3,-2.2 1,-0.1 4,-0.2 0.768 98.3 76.1 -89.7 -27.6 -1.1 32.8 16.8 67 70 A R G >< S+ 0 0 8 -4,-2.1 3,-1.8 1,-0.3 4,-0.5 0.869 86.6 63.7 -50.4 -41.4 1.7 30.2 16.8 68 71 A P G 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.501 85.8 76.1 -64.8 -2.7 0.4 28.7 13.5 69 72 A L G < S+ 0 0 131 -3,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.618 91.1 52.9 -83.7 -11.9 1.2 32.0 11.8 70 73 A S S < S+ 0 0 14 -3,-1.8 3,-0.3 -4,-0.2 -1,-0.2 0.720 90.7 77.0 -95.1 -19.1 4.9 31.3 11.7 71 74 A Y > + 0 0 4 -4,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.689 63.9 103.9 -63.9 -25.5 4.7 27.9 10.1 72 75 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.752 95.0 8.7 -23.3 -78.9 4.0 29.1 6.5 73 76 A D T 3 S+ 0 0 136 -3,-0.3 2,-0.2 -68,-0.0 -69,-0.2 -0.280 85.7 160.4-111.3 48.4 7.3 28.7 4.6 74 77 A T < - 0 0 12 -3,-1.6 -69,-0.2 1,-0.1 3,-0.1 -0.491 23.6-173.0 -73.2 135.8 9.4 26.7 7.1 75 78 A D S S+ 0 0 55 -71,-2.1 2,-0.3 1,-0.3 -70,-0.2 0.792 71.5 3.1 -96.3 -35.9 12.4 24.7 6.0 76 79 A V E -b 5 0A 2 -72,-1.4 -70,-1.6 31,-0.1 2,-0.4 -0.991 63.3-148.3-151.1 153.3 13.3 22.8 9.2 77 80 A I E -bd 6 109A 0 31,-2.0 33,-2.5 -2,-0.3 2,-0.7 -0.981 5.5-152.2-129.4 138.3 11.9 22.5 12.7 78 81 A L E -bd 7 110A 0 -72,-2.1 -70,-2.2 -2,-0.4 2,-0.9 -0.921 13.6-163.1-108.7 104.7 13.5 21.9 16.1 79 82 A M E -bd 8 111A 0 31,-1.4 33,-2.1 -2,-0.7 2,-0.2 -0.807 20.1-166.1 -92.3 104.3 11.1 20.2 18.4 80 83 A C E +bd 9 112A 0 -72,-2.9 -70,-0.5 -2,-0.9 2,-0.3 -0.596 20.6 168.2 -98.9 158.3 12.4 20.6 21.9 81 84 A F E - d 0 113A 0 31,-2.1 33,-1.9 -2,-0.2 2,-0.4 -0.854 33.2-102.7-148.2 174.7 11.8 19.2 25.4 82 85 A S E - d 0 114A 4 3,-0.5 3,-0.3 -2,-0.3 33,-0.2 -0.889 7.7-146.2-113.4 142.7 13.6 19.4 28.8 83 86 A I S S+ 0 0 0 31,-2.2 53,-2.3 -2,-0.4 32,-0.1 0.810 102.0 50.7 -74.4 -28.3 15.8 16.8 30.5 84 87 A D S S+ 0 0 44 30,-0.2 -1,-0.2 51,-0.2 31,-0.1 0.684 106.5 62.3 -81.8 -16.6 14.7 17.7 34.0 85 88 A S > - 0 0 45 -3,-0.3 3,-0.7 1,-0.1 -3,-0.5 -0.838 57.7-177.9-117.1 97.2 11.0 17.4 33.0 86 89 A P T >> S+ 0 0 29 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.744 82.6 63.8 -60.9 -27.3 9.9 13.9 31.8 87 90 A D H 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 92.9 60.6 -67.3 -37.9 6.4 15.2 31.1 88 91 A S H <4 S+ 0 0 4 -3,-0.7 -1,-0.2 1,-0.3 -78,-0.2 0.713 105.0 50.8 -61.7 -18.9 7.7 17.6 28.4 89 92 A L H X4 S+ 0 0 17 -3,-0.7 3,-1.5 -4,-0.5 -1,-0.3 0.861 107.0 53.2 -84.7 -36.8 8.9 14.5 26.6 90 93 A E H 3X S+ 0 0 100 -4,-1.5 4,-1.0 1,-0.3 -2,-0.2 0.915 102.4 59.0 -63.4 -38.3 5.5 12.8 26.9 91 94 A N H 3X>S+ 0 0 24 -4,-2.4 5,-1.6 1,-0.2 4,-1.2 0.343 84.2 86.7 -74.4 8.3 3.8 15.8 25.3 92 95 A I H <4>S+ 0 0 0 -3,-1.5 5,-3.2 -5,-0.2 -1,-0.2 0.987 100.7 26.8 -73.7 -55.6 5.9 15.4 22.2 93 96 A P H 45S+ 0 0 48 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.825 124.3 56.4 -75.1 -25.4 3.6 12.9 20.5 94 97 A E H <5S- 0 0 119 -4,-1.0 -2,-0.2 3,-0.1 -3,-0.1 0.988 128.1 -3.5 -65.1 -67.9 0.6 14.3 22.3 95 98 A K T X5S+ 0 0 51 -4,-1.2 4,-1.9 3,-0.1 5,-0.2 0.906 132.1 40.7 -96.8 -55.3 0.6 18.0 21.5 96 99 A W H > S+ 0 0 64 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.943 115.5 49.2 -57.8 -50.7 0.2 16.4 15.8 99 102 A E H X S+ 0 0 32 -4,-1.9 4,-1.9 1,-0.2 3,-0.5 0.939 118.9 37.9 -53.7 -54.1 0.2 20.2 15.6 100 103 A V H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.923 111.3 58.9 -64.7 -45.2 3.4 20.4 13.5 101 104 A K H < S+ 0 0 135 -4,-3.3 -1,-0.2 -5,-0.4 -2,-0.2 0.720 110.7 45.0 -58.4 -24.1 2.6 17.3 11.5 102 105 A H H < S+ 0 0 141 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.952 119.6 35.4 -82.2 -67.3 -0.6 19.1 10.3 103 106 A F H < S+ 0 0 97 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.780 131.1 28.2 -57.1 -34.9 0.7 22.6 9.5 104 107 A C S >< S+ 0 0 11 -4,-3.3 3,-0.7 -5,-0.2 -1,-0.2 -0.614 72.6 167.5-134.3 75.8 4.1 21.4 8.2 105 108 A P T 3 + 0 0 67 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.510 67.7 30.0 -84.6 159.2 4.2 17.9 6.6 106 109 A N T 3 S+ 0 0 168 1,-0.2 -5,-0.0 -2,-0.2 0, 0.0 0.704 93.0 123.8 67.6 18.0 7.2 16.7 4.6 107 110 A V < - 0 0 34 -3,-0.7 -1,-0.2 71,-0.1 -31,-0.1 -0.957 67.5-110.9-115.7 127.2 9.4 19.0 6.7 108 111 A P - 0 0 22 0, 0.0 -31,-2.0 0, 0.0 2,-0.4 -0.256 29.2-155.7 -56.3 138.3 12.4 17.6 8.6 109 112 A I E -d 77 0A 20 40,-0.3 42,-2.9 -33,-0.2 43,-0.9 -0.976 6.8-160.8-123.1 128.1 12.2 17.5 12.4 110 113 A I E -de 78 152A 0 -33,-2.5 -31,-1.4 -2,-0.4 2,-0.4 -0.929 16.0-144.2-109.2 110.4 15.2 17.5 14.8 111 114 A L E -de 79 153A 0 41,-1.7 43,-1.7 -2,-0.6 2,-0.5 -0.659 21.1-165.1 -75.7 129.1 14.2 16.3 18.3 112 115 A V E -de 80 154A 0 -33,-2.1 -31,-2.1 -2,-0.4 2,-0.5 -0.944 16.9-157.7-126.3 115.7 16.2 18.2 20.9 113 116 A G E -de 81 155A 0 41,-2.5 43,-1.1 -2,-0.5 3,-0.3 -0.770 26.0-163.4 -85.2 128.8 16.8 17.4 24.6 114 117 A N E +d 82 0A 6 -33,-1.9 -31,-2.2 -2,-0.5 -30,-0.2 -0.657 58.5 39.1-111.3 169.8 17.7 20.6 26.4 115 118 A K > + 0 0 59 -2,-0.2 3,-1.7 -33,-0.2 42,-0.2 0.853 60.9 168.8 60.8 37.6 19.2 21.5 29.8 116 119 A K G > + 0 0 64 40,-2.7 3,-1.2 1,-0.3 4,-0.3 0.749 68.2 66.1 -49.9 -30.6 21.6 18.6 29.5 117 120 A D G >> S+ 0 0 50 1,-0.2 3,-1.3 39,-0.2 4,-0.7 0.833 88.4 65.4 -64.8 -31.9 23.6 20.0 32.4 118 121 A L G <4 S+ 0 0 31 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.486 79.1 82.7 -72.4 -3.0 20.7 19.3 34.9 119 122 A R G <4 S+ 0 0 33 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 0.818 102.0 34.1 -70.3 -30.4 21.0 15.6 34.4 120 123 A N T <4 S+ 0 0 139 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.670 89.7 118.7 -95.6 -22.2 23.9 15.5 37.0 121 124 A D X - 0 0 66 -4,-0.7 4,-1.9 1,-0.1 5,-0.1 -0.219 54.0-153.2 -50.5 126.1 22.5 18.3 39.2 122 125 A E H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.863 93.3 55.9 -71.1 -39.7 21.8 16.9 42.7 123 126 A H H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 109.4 49.1 -59.1 -44.0 19.1 19.5 43.5 124 127 A T H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 110.1 48.6 -60.2 -54.0 17.2 18.3 40.4 125 128 A R H X S+ 0 0 112 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.835 110.9 52.6 -59.0 -32.5 17.5 14.6 41.2 126 129 A R H X S+ 0 0 103 -4,-2.1 4,-0.7 2,-0.2 3,-0.3 0.922 109.0 47.3 -71.3 -44.1 16.3 15.2 44.7 127 130 A E H >X S+ 0 0 106 -4,-2.0 4,-0.8 1,-0.2 3,-0.8 0.905 112.3 49.9 -64.0 -41.0 13.1 17.1 43.7 128 131 A L H 3<>S+ 0 0 23 -4,-2.2 5,-2.6 1,-0.2 -1,-0.2 0.709 97.4 69.9 -71.3 -20.1 12.2 14.5 41.0 129 132 A A H ><5S+ 0 0 62 -4,-0.9 3,-1.4 -3,-0.3 -1,-0.2 0.835 92.1 58.5 -66.5 -32.9 12.6 11.7 43.6 130 133 A K H <<5S+ 0 0 125 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.967 107.2 47.0 -58.5 -50.2 9.5 13.0 45.4 131 134 A M T 3<5S- 0 0 127 -4,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.349 117.6-118.4 -73.2 5.7 7.6 12.4 42.2 132 135 A K T < 5S+ 0 0 198 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.893 78.9 111.6 54.3 43.0 9.2 9.0 41.9 133 136 A Q < - 0 0 89 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.0 -0.723 49.5-157.7-129.8-176.5 10.8 10.1 38.6 134 137 A E - 0 0 95 -2,-0.2 3,-0.1 -3,-0.1 -15,-0.1 -0.952 38.1 -69.3-160.7 162.2 14.3 10.9 37.3 135 138 A P - 0 0 4 0, 0.0 -51,-0.2 0, 0.0 2,-0.2 -0.112 65.2 -84.2 -55.0 159.9 15.8 13.0 34.4 136 139 A V - 0 0 2 -53,-2.3 -53,-0.0 -54,-0.1 -51,-0.0 -0.456 41.0-133.4 -71.4 134.8 15.4 11.8 30.8 137 140 A K > - 0 0 70 -2,-0.2 4,-1.6 -3,-0.1 5,-0.2 -0.702 18.6-120.2 -87.7 142.0 17.9 9.1 29.7 138 141 A P H > S+ 0 0 34 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.799 111.1 58.5 -50.3 -31.5 19.5 9.6 26.2 139 142 A E H >> S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.986 103.3 47.9 -65.1 -57.2 18.0 6.3 25.1 140 143 A E H 3> S+ 0 0 82 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.809 110.1 54.0 -55.9 -30.0 14.4 7.2 25.7 141 144 A G H 3X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.871 109.3 48.0 -72.3 -34.5 14.8 10.5 23.9 142 145 A R H S+ 0 0 6 -4,-1.5 5,-3.3 1,-0.2 -1,-0.3 0.888 111.2 44.2 -65.7 -38.7 12.7 10.5 18.0 146 149 A N H ><5S+ 0 0 131 -4,-1.9 3,-1.9 -3,-0.4 -2,-0.2 0.908 107.1 60.1 -71.5 -40.8 12.4 7.3 16.0 147 150 A R H 3<5S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 112.7 37.7 -54.9 -38.2 8.8 6.8 17.0 148 151 A I T 3<5S- 0 0 31 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.175 115.8-112.8-101.4 14.0 7.9 10.2 15.3 149 152 A G T < 5 - 0 0 60 -3,-1.9 -40,-0.3 1,-0.1 -3,-0.2 0.898 48.8-178.8 57.1 46.1 10.2 9.7 12.4 150 153 A A < - 0 0 20 -5,-3.3 -40,-0.2 1,-0.1 3,-0.1 -0.401 36.3-126.4 -73.9 153.2 12.6 12.6 13.4 151 154 A F S S- 0 0 86 -42,-2.9 2,-0.3 1,-0.3 -41,-0.2 0.775 84.9 -27.9 -69.4 -27.3 15.6 13.3 11.1 152 155 A G E -e 110 0A 13 -43,-0.9 -41,-1.7 -7,-0.1 2,-0.3 -0.911 56.6-120.1 177.0 153.8 17.8 13.0 14.2 153 156 A Y E +e 111 0A 28 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.827 31.6 171.4-104.6 150.5 18.0 13.3 17.9 154 157 A M E -e 112 0A 45 -43,-1.7 -41,-2.5 -2,-0.3 2,-0.3 -0.978 16.3-153.4-155.6 153.3 20.4 15.6 19.7 155 158 A E E +e 113 0A 31 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.872 23.5 149.1-127.5 163.2 21.1 16.9 23.3 156 159 A C - 0 0 1 -43,-1.1 -40,-2.7 -2,-0.3 2,-0.4 -0.992 36.6-123.3-176.8 174.9 22.7 20.1 24.6 157 160 A S > - 0 0 0 5,-1.9 4,-1.3 -2,-0.3 7,-0.3 -0.969 5.2-168.5-140.9 119.6 23.1 22.8 27.2 158 161 A A T 4 S+ 0 0 15 -2,-0.4 -1,-0.1 2,-0.2 5,-0.0 0.716 91.7 59.0 -77.6 -21.8 22.6 26.5 26.4 159 162 A K T 4 S+ 0 0 138 1,-0.1 -1,-0.2 3,-0.1 -132,-0.1 0.945 120.7 22.1 -71.7 -49.9 24.0 27.2 29.9 160 163 A T T 4 S- 0 0 83 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.589 102.5-124.1 -92.6 -14.1 27.5 25.5 29.4 161 164 A K >< + 0 0 103 -4,-1.3 3,-1.8 1,-0.3 4,-0.5 0.282 52.8 160.9 83.5 -2.1 27.3 25.7 25.6 162 165 A D T 3 S- 0 0 82 1,-0.3 -5,-1.9 2,-0.1 -1,-0.3 -0.247 72.4 -14.2 -53.5 108.0 27.8 21.9 25.4 163 166 A G T 3> S+ 0 0 8 -7,-0.2 4,-1.5 -2,-0.2 -1,-0.3 0.477 93.2 126.0 78.2 2.7 26.6 20.8 22.0 164 167 A V H <> S+ 0 0 8 -3,-1.8 4,-1.3 -7,-0.3 -2,-0.1 0.907 74.6 49.7 -59.9 -43.3 24.8 24.0 20.9 165 168 A R H > S+ 0 0 111 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.893 106.4 54.5 -65.0 -37.5 26.7 24.3 17.7 166 169 A E H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 101.2 61.9 -66.1 -34.6 26.1 20.7 16.6 167 170 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.937 109.1 39.4 -55.5 -52.3 22.4 21.2 17.0 168 171 A F H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.842 110.8 57.0 -72.1 -31.7 22.2 23.9 14.3 169 172 A E H X S+ 0 0 61 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.950 108.7 47.9 -64.9 -42.5 24.7 22.3 11.9 170 173 A M H X S+ 0 0 44 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.917 111.7 51.3 -63.1 -38.5 22.4 19.2 11.9 171 174 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.955 112.8 44.0 -62.5 -48.4 19.5 21.5 11.3 172 175 A T H X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 5,-0.2 0.925 110.3 55.3 -62.6 -44.7 21.2 23.3 8.4 173 176 A R H X S+ 0 0 85 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.870 113.0 43.4 -56.2 -37.6 22.4 20.0 6.9 174 177 A A H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.773 108.5 57.2 -79.9 -28.8 18.7 18.8 7.0 175 178 A A H < S+ 0 0 10 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.675 110.7 44.7 -75.6 -21.1 17.3 22.1 5.6 176 179 A L H < S+ 0 0 66 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.1 0.905 117.3 36.9 -86.1 -55.8 19.5 21.9 2.5 177 180 A Q < 0 0 106 -4,-1.5 0, 0.0 -5,-0.2 0, 0.0 -0.121 360.0 360.0 -84.0-168.6 19.1 18.2 1.5 178 181 A A 0 0 128 -71,-0.0 -3,-0.1 -2,-0.0 -71,-0.1 -0.513 360.0 360.0 60.7 360.0 16.0 16.0 1.7