==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 03-SEP-04 1XD2 . COMPND 2 MOLECULE: TRANSFORMING PROTEIN P21/H-RAS-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.SONDERMANN,S.M.SOISSON,S.BOYKEVISCH,S.S.YANG,D.BAR-SAGI, . 801 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 46 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 3 1 1 1 3 2 2 4 2 1 1 1 2 2 2 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 1 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 1 0 2 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 83 0, 0.0 2,-0.2 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 149.5 37.8 40.3 53.5 2 2 A T E -a 51 0A 70 48,-1.0 50,-2.3 2,-0.0 2,-0.4 -0.594 360.0-140.0 -89.7 147.9 37.7 41.8 57.0 3 3 A E E -a 52 0A 64 -2,-0.2 2,-0.5 48,-0.2 50,-0.2 -0.899 13.5-166.0-109.7 135.6 34.7 41.6 59.3 4 4 A Y E -a 53 0A 14 48,-2.3 50,-2.9 -2,-0.4 2,-0.8 -0.969 10.0-151.4-125.8 119.0 33.7 44.6 61.5 5 5 A K E -a 54 0A 59 -2,-0.5 71,-2.8 48,-0.2 72,-1.7 -0.796 19.9-176.2 -92.7 107.9 31.1 44.3 64.3 6 6 A L E -ab 55 77A 1 48,-2.2 50,-3.2 -2,-0.8 2,-0.4 -0.859 9.0-157.0-105.5 135.9 29.4 47.6 64.8 7 7 A V E -ab 56 78A 1 70,-2.3 72,-3.3 -2,-0.4 2,-0.6 -0.945 4.8-150.2-115.7 131.0 26.9 48.2 67.6 8 8 A V E +ab 57 79A 0 48,-2.5 50,-1.3 -2,-0.4 2,-0.2 -0.889 26.5 170.8-103.4 115.6 24.2 50.9 67.5 9 9 A V E + b 0 80A 0 70,-2.7 72,-2.6 -2,-0.6 2,-0.2 -0.752 14.3 101.4-120.9 167.1 23.2 52.3 70.9 10 10 A G - 0 0 0 -2,-0.2 72,-0.1 70,-0.2 3,-0.1 -0.621 69.0 -46.2 139.7 161.3 21.1 55.1 72.4 11 11 A A S > S- 0 0 14 70,-0.4 3,-1.5 78,-0.3 5,-0.3 -0.133 72.2 -87.0 -55.4 152.4 17.8 55.8 74.0 12 12 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.1 48,-0.1 47,-0.1 -0.264 110.8 28.1 -60.8 146.1 14.7 54.4 72.4 13 13 A G T 3 S+ 0 0 36 -3,-0.1 -1,-0.2 69,-0.0 -2,-0.1 0.222 83.0 109.3 88.8 -14.6 13.1 56.4 69.6 14 14 A V S < S- 0 0 3 -3,-1.5 68,-0.2 67,-0.1 70,-0.1 0.785 95.6-101.9 -67.6 -24.8 16.3 58.2 68.5 15 15 A G S > S+ 0 0 15 -4,-0.2 4,-2.7 66,-0.1 5,-0.3 0.604 70.3 146.1 114.8 18.4 16.3 56.2 65.3 16 16 A K H > S+ 0 0 9 -5,-0.3 4,-1.6 1,-0.2 5,-0.1 0.890 81.4 43.2 -52.9 -41.4 18.9 53.4 65.8 17 17 A S H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.849 110.9 52.7 -76.1 -34.3 16.8 51.0 63.7 18 18 A A H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 110.3 48.5 -66.4 -45.4 15.8 53.5 60.9 19 19 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.940 113.4 49.0 -58.0 -47.1 19.5 54.4 60.3 20 20 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.935 114.6 42.0 -59.7 -50.5 20.4 50.7 60.3 21 21 A I H X S+ 0 0 24 -4,-2.8 4,-2.7 1,-0.2 6,-1.1 0.803 111.1 57.1 -69.7 -26.9 17.6 49.7 57.8 22 22 A Q H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.905 111.7 43.6 -68.3 -38.0 18.3 52.8 55.7 23 23 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.929 121.6 38.3 -70.0 -45.9 21.9 51.5 55.4 24 24 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.889 136.1 13.8 -72.9 -45.8 21.0 47.9 54.8 25 25 A Q H < S- 0 0 45 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.426 88.4-123.8-114.0 -1.9 18.0 48.3 52.5 26 26 A N S < S+ 0 0 12 -4,-1.3 486,-2.5 -5,-0.5 2,-0.4 0.878 75.3 125.4 57.9 34.0 17.9 51.9 51.4 27 27 A H - 0 0 36 -6,-1.1 2,-0.6 484,-0.2 -1,-0.2 -0.972 58.4-136.3-127.7 140.6 14.5 52.0 52.9 28 28 A F - 0 0 57 -2,-0.4 2,-0.8 482,-0.2 482,-0.2 -0.866 11.4-143.5-101.9 125.5 13.0 54.2 55.6 29 29 A V - 0 0 43 -2,-0.6 -11,-0.1 1,-0.2 -7,-0.1 -0.756 18.4-179.4 -85.4 109.0 10.9 52.7 58.4 30 30 A D + 0 0 132 -2,-0.8 -1,-0.2 2,-0.0 2,-0.1 0.827 60.7 69.4 -79.7 -31.3 8.1 55.2 59.1 31 31 A E S S- 0 0 112 1,-0.0 2,-0.5 2,-0.0 -2,-0.0 -0.475 80.3-124.3 -86.5 159.4 6.5 53.2 61.9 32 32 A Y + 0 0 133 -2,-0.1 -2,-0.0 2,-0.0 -1,-0.0 -0.912 31.0 165.7-111.7 125.6 8.0 52.5 65.3 33 33 A D - 0 0 29 -2,-0.5 460,-0.1 464,-0.0 459,-0.0 -0.981 40.7-114.9-135.8 119.6 8.5 49.1 66.8 34 34 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 25,-0.1 -0.285 32.3-132.5 -54.5 129.5 10.7 48.6 69.9 35 35 A T - 0 0 10 23,-0.2 23,-0.1 1,-0.2 25,-0.1 -0.444 24.5-178.2 -80.8 159.4 13.8 46.6 69.0 36 36 A I - 0 0 6 -2,-0.1 23,-0.7 21,-0.1 2,-0.2 0.579 70.0 -38.1-116.6 -65.3 14.9 43.7 71.2 37 37 A E E +C 58 0A 15 21,-0.2 2,-0.3 415,-0.1 21,-0.2 -0.812 66.2 170.5-167.5 123.8 18.0 42.5 69.4 38 38 A D E -C 57 0A 16 19,-1.9 19,-3.5 -2,-0.2 2,-0.4 -0.995 15.2-155.8-140.9 148.0 18.8 42.3 65.7 39 39 A S E -C 56 0A 36 -2,-0.3 2,-0.4 346,-0.2 17,-0.2 -0.959 9.0-174.1-125.6 138.2 21.8 41.6 63.5 40 40 A Y E -C 55 0A 49 15,-2.1 15,-3.1 -2,-0.4 2,-0.4 -0.990 11.5-148.7-133.1 142.2 22.4 42.7 59.9 41 41 A R E -C 54 0A 106 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.884 14.5-177.5-110.4 140.8 25.2 41.8 57.5 42 42 A K E -C 53 0A 15 11,-2.0 11,-3.2 -2,-0.4 2,-0.6 -0.948 16.8-154.2-144.2 118.9 26.5 44.1 54.8 43 43 A Q E +C 52 0A 3 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.827 35.5 153.4 -90.4 119.8 29.2 43.6 52.2 44 44 A V E -C 51 0A 9 7,-2.0 7,-3.9 -2,-0.6 2,-0.7 -0.990 44.6-124.3-148.9 152.1 30.6 46.9 51.1 45 45 A V E -C 50 0A 47 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.894 29.8-177.1-101.5 113.6 33.9 48.3 49.7 46 46 A I E > -C 49 0A 5 3,-2.4 3,-2.0 -2,-0.7 -2,-0.0 -0.955 69.9 -16.1-114.8 122.8 35.2 51.1 51.9 47 47 A D T 3 S- 0 0 83 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.921 129.3 -51.4 50.7 49.4 38.4 53.0 50.8 48 48 A G T 3 S+ 0 0 72 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.422 118.2 105.3 73.2 -3.3 39.2 50.3 48.3 49 49 A E E < S- C 0 46A 93 -3,-2.0 -3,-2.4 -48,-0.0 2,-0.5 -0.928 70.9-123.3-113.1 134.7 39.0 47.4 50.8 50 50 A T E - C 0 45A 28 -2,-0.4 -48,-1.0 -5,-0.2 2,-0.3 -0.620 33.9-167.6 -79.1 126.0 36.0 44.9 50.8 51 51 A C E -aC 2 44A 2 -7,-3.9 -7,-2.0 -2,-0.5 2,-0.6 -0.786 24.2-150.6-115.4 155.2 34.3 44.7 54.2 52 52 A L E -aC 3 43A 25 -50,-2.3 -48,-2.3 -2,-0.3 2,-0.3 -0.936 25.6-158.5-122.7 100.0 31.8 42.5 55.8 53 53 A L E -aC 4 42A 0 -11,-3.2 -11,-2.0 -2,-0.6 2,-0.6 -0.641 10.8-163.2 -85.6 136.6 29.9 44.6 58.3 54 54 A D E -aC 5 41A 13 -50,-2.9 -48,-2.2 -2,-0.3 2,-0.7 -0.913 12.5-166.3-118.9 98.9 28.0 43.1 61.2 55 55 A I E -aC 6 40A 0 -15,-3.1 -15,-2.1 -2,-0.6 2,-0.6 -0.804 3.3-160.6 -95.5 115.0 25.5 45.7 62.5 56 56 A L E -aC 7 39A 4 -50,-3.2 -48,-2.5 -2,-0.7 2,-0.5 -0.849 5.4-155.8 -97.5 115.9 24.0 44.9 65.9 57 57 A D E -aC 8 38A 0 -19,-3.5 -19,-1.9 -2,-0.6 2,-0.2 -0.808 16.0-164.7 -93.3 125.7 20.8 46.8 66.6 58 58 A T E - C 0 37A 4 -50,-1.3 2,-0.4 -2,-0.5 -23,-0.2 -0.699 20.6-121.1-113.1 163.2 20.1 47.2 70.3 59 59 A A - 0 0 3 -23,-0.7 9,-0.1 -2,-0.2 -49,-0.1 -0.822 16.6-153.8 -97.1 138.8 17.1 48.2 72.4 60 60 A G + 0 0 10 -2,-0.4 -48,-0.1 -51,-0.1 2,-0.1 0.430 56.8 106.6 -96.7 2.5 17.6 51.2 74.6 61 61 A Q S > S- 0 0 24 -50,-0.1 3,-1.5 1,-0.1 4,-0.1 -0.431 78.3-114.0 -83.4 158.8 15.2 50.5 77.4 62 62 A E G > S+ 0 0 132 1,-0.3 3,-2.7 2,-0.2 4,-0.3 0.832 110.2 66.7 -56.5 -41.4 16.1 49.4 80.9 63 63 A E G 3 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.711 101.7 53.4 -56.1 -18.7 14.5 45.9 80.6 64 64 A A G <> S+ 0 0 2 -3,-1.5 4,-3.2 1,-0.1 -1,-0.3 0.412 75.4 110.3 -96.5 -0.2 17.2 45.3 78.1 65 65 A S H <> S+ 0 0 25 -3,-2.7 4,-2.2 1,-0.2 5,-0.2 0.888 80.9 43.2 -37.8 -67.2 20.2 46.3 80.3 66 66 A A H > S+ 0 0 24 377,-0.3 4,-1.7 -4,-0.3 -1,-0.2 0.932 118.0 48.2 -48.1 -51.7 21.6 42.8 80.7 67 67 A M H > S+ 0 0 4 -4,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.893 107.7 51.8 -57.2 -49.4 21.1 42.1 77.0 68 68 A R H >X S+ 0 0 16 -4,-3.2 4,-2.3 1,-0.2 3,-0.8 0.924 107.3 54.5 -56.3 -45.8 22.6 45.3 75.7 69 69 A D H 3X S+ 0 0 39 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.904 105.5 54.0 -54.0 -43.8 25.8 44.7 77.7 70 70 A Q H 3X S+ 0 0 17 -4,-1.7 4,-0.7 -5,-0.2 313,-0.3 0.801 109.4 47.2 -63.0 -29.4 26.0 41.3 76.1 71 71 A Y H - d 0 116A 2 3,-0.4 3,-1.9 -2,-0.3 7,-0.3 -0.932 13.8-136.5-110.7 135.8 17.9 62.8 68.2 84 84 A I T 3 S+ 0 0 1 32,-2.5 40,-3.6 -2,-0.5 41,-1.8 0.552 105.7 51.7 -65.0 -6.4 18.5 66.5 67.6 85 85 A N T 3 S+ 0 0 50 31,-0.3 2,-0.3 38,-0.3 -1,-0.3 0.071 100.0 67.4-117.9 24.1 15.0 67.2 68.6 86 86 A N X> - 0 0 72 -3,-1.9 4,-1.2 1,-0.1 3,-0.6 -0.828 57.3-170.4-143.9 101.1 15.0 65.3 71.9 87 87 A T H 3> S+ 0 0 49 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.761 86.5 59.6 -66.5 -24.2 17.3 66.7 74.7 88 88 A K H 3> S+ 0 0 155 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.857 101.3 54.4 -73.2 -31.5 16.9 63.7 76.9 89 89 A S H <> S+ 0 0 2 -3,-0.6 4,-0.7 1,-0.2 -78,-0.3 0.879 109.1 48.4 -67.1 -36.0 18.3 61.5 74.2 90 90 A F H < S+ 0 0 14 -4,-1.2 4,-0.4 -7,-0.3 3,-0.4 0.833 111.4 50.3 -71.1 -31.7 21.3 63.8 74.1 91 91 A E H < S+ 0 0 113 -4,-1.6 4,-0.3 1,-0.2 3,-0.2 0.677 103.9 59.9 -79.7 -17.4 21.6 63.6 77.9 92 92 A D H >X S+ 0 0 46 -4,-1.2 4,-1.5 1,-0.2 3,-0.7 0.683 84.2 80.3 -81.7 -20.3 21.4 59.8 77.8 93 93 A I H 3X S+ 0 0 2 -4,-0.7 4,-2.4 -3,-0.4 5,-0.3 0.915 82.3 63.1 -50.9 -48.9 24.5 59.5 75.7 94 94 A H H 3> S+ 0 0 74 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.868 104.4 48.2 -44.8 -45.3 26.7 60.0 78.8 95 95 A Q H <> S+ 0 0 113 -3,-0.7 4,-2.8 -4,-0.3 -1,-0.2 0.907 110.0 49.1 -65.4 -46.6 25.3 56.7 80.2 96 96 A Y H X S+ 0 0 13 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.852 110.4 52.0 -62.6 -34.9 25.8 54.6 77.1 97 97 A R H X S+ 0 0 37 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 112.0 46.3 -66.6 -45.5 29.4 55.8 76.7 98 98 A E H X S+ 0 0 99 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.914 109.1 54.8 -63.1 -44.3 30.1 54.8 80.3 99 99 A Q H X S+ 0 0 23 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.922 111.1 45.5 -55.0 -47.0 28.4 51.5 79.8 100 100 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.910 110.7 52.7 -62.4 -46.1 30.7 50.8 76.8 101 101 A K H <>S+ 0 0 72 -4,-2.4 5,-1.4 1,-0.2 -1,-0.2 0.844 114.7 44.2 -58.7 -33.5 33.8 52.0 78.8 102 102 A R H <5S+ 0 0 159 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.943 114.4 44.6 -79.7 -51.7 32.9 49.5 81.6 103 103 A V H <5S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.986 123.0 35.2 -56.9 -61.4 32.0 46.5 79.6 104 104 A K T <5S- 0 0 65 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.504 102.8-137.5 -75.0 0.6 34.9 46.6 77.2 105 105 A D T 5 + 0 0 140 -3,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.919 62.7 110.1 40.8 64.0 37.0 47.9 80.1 106 106 A S < - 0 0 47 -5,-1.4 3,-0.3 -6,-0.2 -1,-0.2 -0.970 60.5-152.3-162.1 146.6 38.8 50.5 77.9 107 107 A D S S+ 0 0 103 -2,-0.3 -6,-0.1 1,-0.2 -5,-0.0 0.199 94.4 62.4-105.3 15.6 38.8 54.3 77.6 108 108 A D + 0 0 107 -7,-0.1 -1,-0.2 2,-0.1 -7,-0.0 -0.057 64.7 145.6-131.9 33.7 39.8 54.0 73.9 109 109 A V - 0 0 20 -3,-0.3 2,-0.3 1,-0.1 -32,-0.1 -0.546 54.5-109.3 -77.7 138.0 36.9 52.2 72.2 110 110 A P + 0 0 15 0, 0.0 -32,-2.0 0, 0.0 2,-0.3 -0.493 56.2 146.0 -67.5 123.5 36.2 53.3 68.6 111 111 A M E -d 78 0A 2 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.995 37.8-143.1-158.1 160.3 32.9 55.2 68.3 112 112 A V E -d 79 0A 0 -34,-2.2 -32,-2.7 -2,-0.3 2,-0.6 -0.986 20.3-131.8-126.7 136.7 31.0 58.0 66.6 113 113 A L E -de 80 141A 0 27,-2.4 29,-2.5 -2,-0.4 2,-0.5 -0.782 28.1-161.5 -87.7 122.1 28.5 60.4 68.1 114 114 A V E -de 81 142A 0 -34,-3.2 -32,-2.0 -2,-0.6 2,-0.9 -0.932 15.0-166.3-112.6 121.3 25.4 60.4 65.9 115 115 A G E -de 82 143A 0 27,-1.4 29,-2.4 -2,-0.5 3,-0.3 -0.859 26.9-167.5-103.6 100.2 22.8 63.2 66.0 116 116 A N E +de 83 144A 3 -34,-3.0 -32,-2.5 -2,-0.9 -31,-0.3 -0.397 52.7 43.5 -91.0 167.5 20.0 61.8 64.1 117 117 A K > + 0 0 66 27,-0.7 3,-2.0 -34,-0.2 28,-0.2 0.721 57.8 153.4 74.4 30.7 16.7 63.2 62.6 118 118 A C T 3 + 0 0 22 26,-2.4 27,-0.2 -3,-0.3 5,-0.1 0.440 59.3 75.8 -70.6 1.1 18.4 66.3 61.1 119 119 A D T 3 S+ 0 0 56 25,-0.2 -1,-0.3 31,-0.1 2,-0.1 0.663 80.2 89.3 -82.9 -18.2 15.7 66.5 58.4 120 120 A L < - 0 0 71 -3,-2.0 3,-0.1 1,-0.1 -36,-0.0 -0.476 69.9-147.3 -78.1 152.2 13.3 67.8 61.0 121 121 A A S S+ 0 0 106 1,-0.2 2,-2.0 -2,-0.1 -1,-0.1 0.724 79.8 84.3 -91.0 -23.3 13.1 71.6 61.6 122 122 A A + 0 0 69 2,-0.0 -1,-0.2 -37,-0.0 2,-0.1 -0.383 63.5 175.0 -82.3 64.1 12.3 71.4 65.4 123 123 A R + 0 0 77 -2,-2.0 -38,-0.3 1,-0.1 3,-0.1 -0.426 19.2 169.4 -72.9 140.0 15.8 71.2 66.7 124 124 A T + 0 0 63 -40,-3.6 2,-0.4 1,-0.2 -39,-0.2 0.411 62.6 65.4-127.1 -6.2 16.5 71.2 70.4 125 125 A V S S- 0 0 0 -41,-1.8 2,-0.3 -39,-0.0 -1,-0.2 -0.981 80.2-129.8-119.6 131.6 20.2 70.2 70.6 126 126 A E > - 0 0 101 -2,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.616 9.1-133.2 -85.6 138.4 22.8 72.5 69.2 127 127 A S H > S+ 0 0 47 -2,-0.3 4,-3.5 1,-0.3 5,-0.2 0.918 111.9 52.6 -49.3 -48.0 25.4 71.2 66.8 128 128 A R H > S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.843 107.1 53.4 -56.1 -38.1 28.0 73.1 68.8 129 129 A Q H > S+ 0 0 85 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.924 115.5 38.1 -63.6 -49.6 26.7 71.4 72.0 130 130 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.897 112.7 57.7 -67.2 -44.4 27.1 67.9 70.5 131 131 A Q H X S+ 0 0 78 -4,-3.5 4,-2.5 -5,-0.3 -2,-0.2 0.901 106.0 50.6 -53.4 -44.1 30.3 68.8 68.8 132 132 A D H X S+ 0 0 52 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.862 109.5 50.3 -66.2 -35.3 31.8 69.7 72.2 133 133 A L H X S+ 0 0 20 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.922 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0.0 4,-2.4 0, 0.0 5,-0.2 0.864 76.6 46.9 -63.6 -39.0 8.0 28.7 42.7 579 820 C N H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -21,-0.2 0.936 112.7 49.4 -70.2 -44.5 10.2 31.8 43.0 580 821 C L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 115.7 43.2 -56.6 -50.6 13.4 29.9 42.6 581 822 C L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.886 110.4 54.4 -64.3 -43.2 12.1 28.1 39.5 582 823 C K H X S+ 0 0 136 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.936 111.7 47.5 -56.2 -43.8 10.6 31.2 38.0 583 824 C M H X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.913 111.5 48.6 -65.2 -43.1 14.1 32.7 38.4 584 825 C I H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.827 109.1 54.0 -67.2 -33.3 16.0 29.7 36.9 585 826 C R H X S+ 0 0 95 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.876 103.6 54.7 -69.8 -37.1 13.6 29.6 33.9 586 827 C H H X S+ 0 0 27 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.929 108.8 49.9 -59.4 -45.5 14.2 33.2 33.0 587 828 C T H X S+ 0 0 6 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.933 112.7 46.2 -58.7 -46.5 17.9 32.5 32.9 588 829 C T H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.908 111.1 52.0 -63.8 -44.0 17.4 29.5 30.7 589 830 C N H X S+ 0 0 47 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.870 110.6 47.4 -60.0 -40.2 15.1 31.3 28.4 590 831 C L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.885 110.7 52.0 -72.1 -36.1 17.5 34.2 27.9 591 832 C T H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 112.4 45.9 -64.3 -45.2 20.4 31.8 27.2 592 833 C L H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.847 109.2 55.3 -65.4 -35.8 18.3 30.0 24.6 593 834 C W H X S+ 0 0 17 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.942 107.9 48.9 -61.6 -47.5 17.2 33.3 23.1 594 835 C F H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 112.6 48.5 -58.0 -45.3 20.9 34.4 22.7 595 836 C E H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.900 112.4 48.3 -60.9 -43.7 21.6 31.0 21.0 596 837 C K H X S+ 0 0 52 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.918 109.4 53.0 -64.3 -42.9 18.6 31.3 18.8 597 838 C C H < S+ 0 0 19 -4,-3.1 4,-0.2 2,-0.2 -2,-0.2 0.896 112.5 45.7 -58.8 -40.3 19.6 34.9 17.8 598 839 C I H >< S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.980 116.7 39.3 -68.3 -59.4 23.1 33.7 16.8 599 840 C V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.640 109.5 58.8 -69.9 -19.4 22.3 30.6 14.8 600 841 C E T 3< S+ 0 0 53 -4,-1.8 2,-1.1 -5,-0.2 -1,-0.3 0.473 86.4 84.2 -87.5 -2.1 19.2 31.9 13.0 601 842 C T < + 0 0 1 -3,-1.3 6,-0.1 -4,-0.2 -1,-0.1 -0.804 61.4 178.6 -98.5 88.8 21.4 34.7 11.6 602 843 C E + 0 0 51 -2,-1.1 -1,-0.2 185,-0.1 2,-0.1 0.888 50.7 89.8 -61.4 -44.8 22.7 32.7 8.6 603 844 C N S > S- 0 0 25 184,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.373 74.1-140.8 -59.7 125.4 24.9 35.5 7.0 604 845 C L H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.936 97.9 47.4 -52.3 -57.5 28.4 35.3 8.5 605 846 C E H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 114.0 47.4 -55.1 -45.6 29.0 39.0 8.7 606 847 C E H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 110.0 53.4 -64.9 -37.4 25.6 39.7 10.3 607 848 C R H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.840 104.9 54.5 -66.5 -33.1 26.1 36.8 12.8 608 849 C V H X S+ 0 0 17 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.887 108.5 49.2 -67.4 -34.7 29.4 38.4 13.8 609 850 C A H X S+ 0 0 19 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.933 112.4 49.2 -66.8 -44.7 27.5 41.6 14.5 610 851 C V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.933 113.9 43.3 -58.7 -54.3 25.0 39.5 16.6 611 852 C V H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 3,-0.5 0.955 113.6 51.9 -58.0 -50.5 27.7 37.7 18.6 612 853 C S H X S+ 0 0 23 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.879 107.5 52.6 -55.2 -41.2 29.7 40.9 19.1 613 854 C R H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.850 107.9 51.6 -65.2 -34.6 26.6 42.8 20.4 614 855 C I H X S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.5 -1,-0.2 0.842 107.1 52.1 -70.7 -34.6 25.9 40.0 22.9 615 856 C I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.794 106.5 55.5 -71.2 -26.7 29.5 40.2 24.2 616 857 C E H X S+ 0 0 26 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.881 106.4 49.6 -71.0 -36.3 28.9 43.9 24.7 617 858 C I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.886 107.7 54.8 -67.0 -38.4 25.9 43.1 26.8 618 859 C L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.909 105.1 54.5 -59.5 -42.2 28.1 40.7 28.8 619 860 C Q H X S+ 0 0 49 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.886 109.2 45.4 -60.1 -42.7 30.5 43.6 29.3 620 861 C V H X S+ 0 0 4 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.887 108.9 57.4 -70.6 -37.4 27.8 45.8 30.8 621 862 C F H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 -1,-0.2 0.909 105.8 49.6 -56.2 -45.2 26.6 43.0 32.9 622 863 C Q H ><5S+ 0 0 55 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.883 109.2 52.5 -63.3 -36.4 30.0 42.7 34.4 623 864 C E H 3<5S+ 0 0 93 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.908 111.4 46.3 -65.4 -39.6 30.0 46.4 35.1 624 865 C L T 3<5S- 0 0 36 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.386 113.2-120.2 -83.7 6.0 26.6 46.1 36.9 625 866 C N T < 5 + 0 0 27 -3,-1.1 61,-2.2 -4,-0.2 2,-1.5 0.800 59.5 153.7 58.8 31.7 27.9 43.0 38.8 626 867 C N >< + 0 0 0 -5,-2.9 4,-2.6 59,-0.2 3,-0.2 -0.608 11.0 169.2 -92.5 76.6 25.1 40.9 37.3 627 868 C F H > S+ 0 0 2 -2,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.784 75.6 57.9 -60.0 -29.7 26.9 37.6 37.6 628 869 C N H > S+ 0 0 5 58,-2.0 4,-1.5 -3,-0.2 -1,-0.3 0.947 108.9 45.3 -65.6 -45.8 23.8 35.8 36.7 629 870 C G H > S+ 0 0 0 57,-0.2 4,-1.6 -3,-0.2 3,-0.4 0.925 108.5 56.5 -61.2 -45.6 23.7 37.8 33.4 630 871 C V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.925 109.3 47.0 -53.1 -46.2 27.4 37.2 32.8 631 872 C L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.773 102.5 60.9 -70.9 -27.3 26.8 33.4 33.0 632 873 C E H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.4 -1,-0.2 0.899 109.9 44.0 -64.6 -38.0 23.8 33.3 30.7 633 874 C V H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.3 5,-0.2 0.924 112.9 50.7 -70.6 -44.5 25.9 34.7 27.9 634 875 C V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.927 110.5 49.7 -59.6 -44.3 28.8 32.4 28.7 635 876 C S H < S+ 0 0 1 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.875 110.6 50.3 -62.6 -38.2 26.5 29.4 28.6 636 877 C A H >< S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 6,-0.3 0.950 111.0 48.0 -64.8 -48.0 25.1 30.6 25.3 637 878 C M H 3< S+ 0 0 4 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.815 115.3 46.4 -62.2 -30.2 28.6 30.9 23.9 638 879 C N T 3< S+ 0 0 14 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.384 87.1 112.7 -95.9 4.5 29.6 27.5 25.2 639 880 C S S <> S- 0 0 1 -3,-1.2 4,-2.8 -4,-0.5 5,-0.3 -0.279 82.9-101.7 -72.7 164.0 26.5 25.6 24.0 640 881 C S H > S+ 0 0 8 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.849 117.9 45.2 -56.8 -40.3 26.7 23.0 21.3 641 882 C P H 4 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.894 122.7 33.6 -73.3 -39.1 25.4 25.1 18.5 642 883 C V H >4 S+ 0 0 0 -6,-0.3 3,-1.9 1,-0.1 -2,-0.2 0.890 107.4 64.7 -84.9 -41.3 27.4 28.2 19.2 643 884 C Y H 3< S+ 0 0 114 -4,-2.8 -3,-0.1 1,-0.3 -1,-0.1 0.844 101.5 52.0 -49.7 -42.2 30.6 26.8 20.5 644 885 C R T 3< S+ 0 0 52 -4,-0.8 2,-1.9 -5,-0.3 -1,-0.3 0.392 75.3 106.3 -80.8 1.7 31.5 25.2 17.2 645 886 C L X> + 0 0 1 -3,-1.9 4,-1.8 1,-0.2 3,-1.3 -0.402 37.8 161.4 -82.8 65.3 31.1 28.2 15.0 646 887 C D H 3> + 0 0 117 -2,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.810 67.4 58.7 -53.6 -40.4 34.8 28.8 14.4 647 888 C H H 3> S+ 0 0 88 -3,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.798 109.7 45.9 -63.5 -27.0 34.4 31.0 11.4 648 889 C T H <4 S+ 0 0 0 -3,-1.3 3,-0.4 2,-0.2 -2,-0.2 0.927 112.7 46.3 -79.7 -49.5 32.3 33.4 13.4 649 890 C F H >< S+ 0 0 39 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.692 104.4 64.1 -67.6 -19.5 34.5 33.6 16.5 650 891 C E H 3< S+ 0 0 142 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.916 102.7 48.8 -69.4 -42.2 37.6 34.0 14.3 651 892 C Q T 3< S+ 0 0 105 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.335 85.5 110.9 -80.0 7.3 36.2 37.3 13.0 652 893 C I S < S- 0 0 3 -3,-0.7 5,-0.1 1,-0.1 -43,-0.0 -0.705 80.6-101.9 -84.1 131.0 35.4 38.6 16.6 653 894 C P > - 0 0 47 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.091 27.2-114.5 -51.8 148.1 37.8 41.5 17.5 654 895 C S H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.873 111.9 56.6 -50.8 -45.6 40.7 40.7 19.8 655 896 C R H > S+ 0 0 174 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 106.9 49.3 -58.4 -41.2 39.4 42.8 22.7 656 897 C Q H > S+ 0 0 7 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.824 104.2 56.1 -71.1 -34.4 36.1 41.0 22.9 657 898 C K H X S+ 0 0 93 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.926 106.3 53.1 -61.9 -43.1 37.5 37.5 22.9 658 899 C K H X S+ 0 0 143 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.896 108.9 49.7 -58.4 -38.9 39.5 38.5 26.0 659 900 C I H X S+ 0 0 31 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.933 112.1 46.6 -65.2 -47.0 36.3 39.7 27.7 660 901 C L H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.831 111.5 52.6 -64.1 -34.0 34.5 36.4 26.9 661 902 C E H X S+ 0 0 77 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.939 109.0 47.9 -68.5 -46.9 37.6 34.4 28.1 662 903 C E H X S+ 0 0 80 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.922 113.4 50.2 -58.2 -44.6 37.7 36.2 31.5 663 904 C A H >X S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.942 112.4 45.5 -58.4 -50.0 34.0 35.7 31.8 664 905 C H H >X S+ 0 0 42 -4,-2.4 3,-1.0 1,-0.3 4,-1.0 0.885 104.8 61.7 -62.4 -40.5 34.3 32.0 31.0 665 906 C E H 3< S+ 0 0 37 -4,-3.0 8,-0.4 1,-0.2 -1,-0.3 0.746 89.3 73.2 -59.5 -22.7 37.3 31.6 33.4 666 907 C L H << S+ 0 0 16 -3,-1.0 8,-1.7 -4,-0.9 9,-0.3 0.915 102.0 39.9 -57.4 -44.6 35.0 32.6 36.2 667 908 C S H S+ 0 0 79 -4,-1.0 4,-1.0 1,-0.2 5,-0.6 -0.110 76.7 18.5 -56.7 153.3 36.4 27.3 35.5 669 910 C D H >45S- 0 0 78 1,-0.2 3,-1.1 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