==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 04-FEB-03 1NVU . COMPND 2 MOLECULE: TRANSFORMING PROTEIN P21/H-RAS-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.MARGARIT,H.SONDERMANN,B.E.HALL,B.NAGAR,A.HOELZ, . 801 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.5 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 . 51 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 1 0 3 2 3 3 2 2 1 1 1 2 3 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 2 3 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 Q M 0 0 78 0, 0.0 2,-0.2 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 149.2 37.8 40.3 53.7 2 2 Q T E -a 51 0A 68 48,-0.8 50,-2.5 1,-0.0 2,-0.4 -0.538 360.0-143.2 -78.1 138.3 37.9 41.8 57.1 3 3 Q E E -a 52 0A 68 -2,-0.2 2,-0.4 48,-0.2 50,-0.2 -0.819 12.6-163.3-102.0 140.4 34.8 41.5 59.4 4 4 Q Y E -a 53 0A 12 48,-2.5 50,-3.2 -2,-0.4 2,-0.8 -0.991 10.6-147.6-128.3 129.4 33.8 44.4 61.7 5 5 Q K E -a 54 0A 77 -2,-0.4 71,-2.9 48,-0.2 72,-1.5 -0.847 22.2-176.7 -99.8 107.4 31.4 44.1 64.6 6 6 Q L E -ab 55 77A 2 48,-3.1 50,-3.1 -2,-0.8 2,-0.4 -0.825 8.7-161.7-105.1 142.1 29.4 47.4 65.0 7 7 Q V E -ab 56 78A 1 70,-2.3 72,-2.8 -2,-0.4 2,-0.6 -0.991 5.8-152.4-126.7 131.1 27.0 48.0 67.8 8 8 Q V E +ab 57 79A 0 48,-2.7 50,-1.6 -2,-0.4 2,-0.3 -0.913 25.2 168.8-105.9 121.2 24.3 50.7 67.7 9 9 Q V E + b 0 80A 1 70,-2.8 72,-2.9 -2,-0.6 2,-0.2 -0.838 12.7 105.2-129.9 165.4 23.2 52.1 71.1 10 10 Q G E - b 0 81A 0 -2,-0.3 51,-0.2 70,-0.2 72,-0.1 -0.744 66.8 -40.3 145.4 168.3 21.2 55.0 72.5 11 11 Q A S > S- 0 0 1 70,-0.5 3,-1.5 78,-0.3 5,-0.3 -0.141 72.9 -86.8 -58.0 152.7 17.8 55.8 74.1 12 12 Q G T 3 S+ 0 0 11 1,-0.2 -1,-0.1 2,-0.1 47,-0.1 -0.304 110.9 22.7 -61.3 142.1 14.7 54.2 72.7 13 13 Q G T 3 S+ 0 0 32 -3,-0.1 -1,-0.2 69,-0.0 -2,-0.1 0.439 84.5 113.1 83.9 0.2 13.1 56.0 69.8 14 14 Q V S < S- 0 0 3 -3,-1.5 68,-0.1 67,-0.1 70,-0.1 0.773 93.2 -95.2 -78.9 -22.7 16.2 57.9 68.6 15 15 Q G S > S+ 0 0 14 -4,-0.2 4,-2.7 66,-0.1 5,-0.3 0.595 74.7 140.4 120.5 18.1 16.4 56.0 65.3 16 16 Q K H > S+ 0 0 12 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.932 82.9 39.1 -54.1 -50.5 18.9 53.2 65.9 17 17 Q S H > S+ 0 0 30 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.905 114.4 52.1 -67.0 -46.3 16.8 50.7 63.8 18 18 Q A H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.899 110.5 49.7 -59.7 -40.8 15.8 53.2 61.1 19 19 Q L H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.935 113.4 46.1 -62.8 -46.3 19.5 54.2 60.6 20 20 Q T H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.912 114.2 46.4 -64.6 -44.2 20.5 50.5 60.3 21 21 Q I H X S+ 0 0 23 -4,-2.9 4,-3.1 2,-0.2 6,-0.9 0.842 109.9 54.3 -69.3 -32.9 17.7 49.5 57.9 22 22 Q Q H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.928 112.7 44.4 -64.8 -42.2 18.3 52.6 55.8 23 23 Q L H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 120.5 40.5 -67.0 -42.6 22.0 51.5 55.5 24 24 Q I H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.913 136.1 10.1 -75.2 -45.6 21.1 47.9 54.8 25 25 Q Q H < S- 0 0 55 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.385 90.1-119.4-119.9 3.1 18.1 48.2 52.5 26 26 Q N S < S+ 0 0 15 -4,-1.6 486,-2.3 -5,-0.5 2,-0.4 0.861 75.3 127.2 58.2 36.5 17.9 51.8 51.5 27 27 Q H - 0 0 26 -6,-0.9 2,-0.6 484,-0.2 -1,-0.2 -0.976 56.4-138.8-128.7 136.5 14.5 51.9 53.1 28 28 Q F - 0 0 53 -2,-0.4 2,-0.7 482,-0.2 482,-0.2 -0.847 13.3-145.5 -98.8 122.2 13.0 54.2 55.7 29 29 Q V + 0 0 32 -2,-0.6 -11,-0.1 1,-0.2 -7,-0.1 -0.744 18.2 179.5 -85.5 112.7 10.9 52.6 58.5 30 30 Q D + 0 0 134 -2,-0.7 -1,-0.2 2,-0.0 2,-0.1 0.821 58.4 74.4 -84.1 -31.5 8.2 55.1 59.4 31 31 Q E S S- 0 0 84 1,-0.1 2,-0.7 2,-0.0 -2,-0.0 -0.411 81.3-122.7 -79.4 159.4 6.4 52.9 62.1 32 32 Q Y + 0 0 132 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.857 33.1 167.4-111.6 104.9 8.0 52.4 65.5 33 33 Q D - 0 0 25 -2,-0.7 460,-0.1 466,-0.0 -16,-0.1 -0.917 36.9-126.3-114.2 104.7 8.6 48.8 66.7 34 34 Q P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 25,-0.1 -0.145 27.0-127.2 -49.2 139.3 10.8 48.8 69.8 35 35 Q T + 0 0 10 23,-0.2 25,-0.1 1,-0.2 23,-0.1 -0.657 28.9 178.9 -94.4 147.5 13.8 46.6 69.4 36 36 Q I S S- 0 0 7 -2,-0.3 23,-1.1 23,-0.1 2,-0.2 0.755 75.8 -38.4-103.7 -64.5 14.9 43.8 71.7 37 37 Q E E +C 58 0A 4 21,-0.2 2,-0.3 415,-0.1 21,-0.2 -0.760 65.7 172.7-168.4 115.7 18.0 42.7 69.8 38 38 Q D E -C 57 0A 8 19,-2.4 19,-3.0 -2,-0.2 2,-0.4 -0.946 13.5-153.5-128.0 150.4 18.5 42.4 66.0 39 39 Q S E -C 56 0A 55 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.936 10.1-176.1-126.4 144.9 21.5 41.6 63.8 40 40 Q Y E -C 55 0A 50 15,-1.9 15,-2.8 -2,-0.4 2,-0.4 -0.951 12.1-148.4-137.0 157.9 22.4 42.5 60.1 41 41 Q R E +C 54 0A 101 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.979 14.7 178.4-129.2 138.7 25.2 41.8 57.7 42 42 Q K E -C 53 0A 15 11,-2.2 11,-3.1 -2,-0.4 2,-0.5 -0.926 17.5-155.9-147.1 118.3 26.5 44.0 54.9 43 43 Q Q E +C 52 0A 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.815 34.3 156.8 -89.3 127.0 29.3 43.5 52.4 44 44 Q V E -C 51 0A 6 7,-2.4 7,-3.1 -2,-0.5 2,-0.6 -0.995 43.1-122.4-153.6 145.9 30.6 46.8 51.3 45 45 Q V E -C 50 0A 45 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.813 31.6-177.0 -91.9 119.5 33.8 48.3 49.8 46 46 Q I E > -C 49 0A 3 3,-3.2 3,-1.7 -2,-0.6 -2,-0.0 -0.981 68.9 -12.4-122.2 126.4 35.3 51.1 52.0 47 47 Q D T 3 S- 0 0 98 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.923 131.6 -52.6 51.4 47.6 38.4 53.1 51.0 48 48 Q G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.575 118.8 111.0 68.2 11.5 39.0 50.5 48.3 49 49 Q E E < - C 0 46A 106 -3,-1.7 -3,-3.2 -48,-0.0 2,-0.5 -0.967 68.4-125.6-123.0 131.3 38.8 47.6 50.7 50 50 Q T E - C 0 45A 25 -2,-0.4 -48,-0.8 -5,-0.3 2,-0.3 -0.606 35.0-176.8 -77.1 123.6 36.1 45.0 50.9 51 51 Q C E -aC 2 44A 0 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.6 -0.857 25.3-145.2-120.4 153.8 34.5 44.7 54.4 52 52 Q L E -aC 3 43A 23 -50,-2.5 -48,-2.5 -2,-0.3 2,-0.5 -0.966 23.0-157.4-118.4 109.9 31.9 42.5 56.0 53 53 Q L E -aC 4 42A 0 -11,-3.1 -11,-2.2 -2,-0.6 2,-0.6 -0.787 9.7-165.8 -93.4 127.6 29.9 44.5 58.5 54 54 Q D E -aC 5 41A 15 -50,-3.2 -48,-3.1 -2,-0.5 2,-0.6 -0.966 15.1-165.4-108.7 116.6 28.0 42.8 61.3 55 55 Q I E -aC 6 40A 0 -15,-2.8 -15,-1.9 -2,-0.6 2,-0.7 -0.916 9.3-161.2-113.4 118.8 25.7 45.3 62.8 56 56 Q L E -aC 7 39A 21 -50,-3.1 -48,-2.7 -2,-0.6 2,-0.7 -0.857 5.5-161.4 -99.7 115.9 24.0 44.7 66.1 57 57 Q D E -aC 8 38A 0 -19,-3.0 -19,-2.4 -2,-0.7 2,-0.2 -0.871 15.6-163.6 -97.8 114.2 21.0 46.9 66.7 58 58 Q T E - C 0 37A 1 -50,-1.6 2,-0.3 -2,-0.7 -21,-0.2 -0.542 22.5-107.0 -98.0 164.0 20.1 47.0 70.4 59 59 Q G - 0 0 10 -23,-1.1 2,-0.2 -2,-0.2 -49,-0.2 -0.706 43.6-134.7 -86.9 140.3 17.0 48.1 72.3 60 60 Q G - 0 0 1 -2,-0.3 -49,-0.2 1,-0.2 -51,-0.0 -0.636 59.0 -15.0-107.1 162.0 17.4 51.4 74.1 61 61 Q Q S S+ 0 0 82 -2,-0.2 -1,-0.2 1,-0.2 -50,-0.1 0.548 80.3 135.4 32.3 16.2 16.6 53.0 77.4 62 62 Q E S S- 0 0 29 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.229 77.1-115.4 -74.9 19.8 14.4 50.0 78.1 63 63 Q E S S+ 0 0 165 1,-0.2 2,-0.6 2,-0.1 3,-0.2 0.727 77.0 132.8 54.7 26.3 16.0 50.0 81.5 64 64 Q Y > + 0 0 34 1,-0.2 4,-2.1 -5,-0.1 3,-0.3 -0.481 16.0 157.4-105.1 60.6 17.5 46.6 80.8 65 65 Q S H > + 0 0 58 -2,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.823 68.2 63.9 -50.8 -36.9 21.0 47.4 82.0 66 66 Q A H > S+ 0 0 32 -3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.958 108.4 36.3 -54.9 -57.9 21.6 43.7 82.5 67 67 Q M H >> S+ 0 0 6 -3,-0.3 3,-1.4 1,-0.2 4,-1.0 0.898 106.9 66.5 -65.3 -43.7 21.3 42.7 78.9 68 68 Q R H >X S+ 0 0 23 -4,-2.1 4,-1.5 1,-0.3 3,-1.3 0.891 95.3 56.8 -44.8 -52.0 23.0 45.9 77.4 69 69 Q D H 3X S+ 0 0 18 -4,-1.5 4,-1.1 1,-0.3 -1,-0.3 0.868 100.6 61.9 -48.6 -37.4 26.3 44.9 78.9 70 70 Q Q H - d 0 116A 2 3,-0.4 3,-1.9 -2,-0.3 7,-0.2 -0.911 16.9-135.0-105.2 133.1 17.9 62.5 68.3 84 84 Q I T 3 S+ 0 0 2 32,-2.6 40,-3.1 -2,-0.5 41,-2.0 0.513 105.0 54.4 -66.5 -2.1 18.5 66.2 67.9 85 85 Q N T 3 S+ 0 0 52 38,-0.3 2,-0.3 31,-0.2 -1,-0.3 0.080 98.5 69.6-116.2 22.5 14.9 67.0 68.9 86 86 Q N X> - 0 0 74 -3,-1.9 4,-1.3 1,-0.1 3,-0.6 -0.773 54.6-174.7-145.1 94.3 15.1 65.1 72.2 87 87 Q T H 3> S+ 0 0 56 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 85.4 59.9 -55.7 -39.2 17.3 66.6 74.9 88 88 Q K H 3> S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 102.7 51.8 -61.0 -38.9 16.8 63.6 77.2 89 89 Q S H <> S+ 0 0 1 -3,-0.6 4,-0.6 2,-0.2 -78,-0.3 0.869 109.9 49.9 -67.9 -32.5 18.4 61.2 74.7 90 90 Q F H >< S+ 0 0 19 -4,-1.3 3,-1.1 -7,-0.2 4,-0.5 0.929 109.1 51.6 -68.3 -44.0 21.4 63.5 74.4 91 91 Q E H 3< S+ 0 0 105 -4,-2.6 4,-0.3 1,-0.3 3,-0.3 0.746 104.0 59.2 -64.4 -23.3 21.7 63.6 78.2 92 92 Q D H >X S+ 0 0 7 -4,-1.3 4,-1.4 -5,-0.2 3,-0.8 0.698 84.4 84.3 -77.7 -19.9 21.6 59.7 78.2 93 93 Q I H XX S+ 0 0 2 -3,-1.1 4,-2.4 -4,-0.6 3,-0.5 0.895 82.9 54.9 -50.4 -50.0 24.7 59.5 75.9 94 94 Q H H 3> S+ 0 0 76 -4,-0.5 4,-2.8 -3,-0.3 -1,-0.2 0.853 103.5 57.7 -57.5 -32.6 27.3 59.8 78.7 95 95 Q Q H <> S+ 0 0 97 -3,-0.8 4,-2.3 -4,-0.3 -1,-0.3 0.914 108.4 45.9 -62.7 -41.9 25.7 56.9 80.4 96 96 Q Y H S+ 0 0 88 -4,-2.7 5,-1.3 -5,-0.2 4,-0.5 0.909 116.1 45.3 -60.2 -40.3 34.3 52.2 78.8 102 102 Q R H ><5S+ 0 0 147 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.997 113.7 45.2 -65.3 -66.7 33.4 50.1 81.8 103 103 Q V H 3<5S+ 0 0 27 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.879 124.2 33.6 -45.7 -53.8 32.4 46.9 80.0 104 104 Q K T 3<5S- 0 0 68 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.505 101.3-136.8 -84.9 -2.4 35.4 46.9 77.6 105 105 Q D T < 5 + 0 0 143 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.938 62.2 115.1 44.5 62.4 37.6 48.4 80.2 106 106 Q S < - 0 0 39 -5,-1.3 3,-0.3 -6,-0.2 -1,-0.2 -0.979 59.9-149.0-156.6 148.0 39.2 50.9 77.8 107 107 Q D S S+ 0 0 101 -2,-0.3 -6,-0.1 1,-0.2 -5,-0.1 0.439 95.4 49.2 -98.7 -3.1 39.3 54.7 77.4 108 108 Q D + 0 0 96 -7,-0.1 -1,-0.2 2,-0.0 3,-0.0 -0.230 66.5 156.5-133.2 49.3 39.6 54.7 73.7 109 109 Q V - 0 0 14 -3,-0.3 2,-0.1 1,-0.1 -32,-0.1 -0.543 54.6-100.2 -72.9 135.8 37.0 52.3 72.3 110 110 Q P + 0 0 13 0, 0.0 -32,-2.1 0, 0.0 2,-0.3 -0.354 62.8 147.8 -58.4 125.8 36.2 53.2 68.6 111 111 Q M E -d 78 0A 8 -34,-0.2 2,-0.4 -2,-0.1 -32,-0.2 -0.997 37.6-147.3-158.8 163.1 33.0 55.2 68.5 112 112 Q V E -d 79 0A 0 -34,-2.1 -32,-2.8 -2,-0.3 2,-0.5 -0.999 19.0-134.9-133.4 135.3 31.0 57.8 66.7 113 113 Q L E -de 80 141A 0 27,-2.7 29,-2.8 -2,-0.4 2,-0.5 -0.799 26.6-162.9 -90.4 126.2 28.5 60.3 68.2 114 114 Q V E -de 81 142A 0 -34,-3.0 -32,-2.3 -2,-0.5 2,-0.9 -0.951 16.2-164.5-118.6 123.2 25.4 60.4 66.0 115 115 Q G E -de 82 143A 0 27,-2.0 29,-2.5 -2,-0.5 3,-0.3 -0.860 27.4-167.0-102.6 98.4 22.8 63.1 66.1 116 116 Q N E +d 83 0A 3 -34,-3.3 -32,-2.6 -2,-0.9 -31,-0.2 -0.306 55.4 43.3 -87.3 170.3 19.9 61.6 64.3 117 117 Q K > + 0 0 61 -34,-0.2 3,-2.0 -33,-0.1 28,-0.2 0.758 58.7 154.4 69.2 31.6 16.6 63.1 62.8 118 118 Q C T 3 + 0 0 25 26,-2.9 27,-0.2 -3,-0.3 -1,-0.1 0.406 60.6 75.3 -71.8 6.4 18.4 66.1 61.4 119 119 Q D T 3 S+ 0 0 58 25,-0.2 -1,-0.3 31,-0.1 2,-0.3 0.633 79.8 89.5 -88.1 -16.5 15.6 66.4 58.8 120 120 Q L < - 0 0 72 -3,-2.0 3,-0.1 1,-0.1 -36,-0.0 -0.601 67.8-150.5 -83.6 142.7 13.3 67.8 61.5 121 121 Q A S S+ 0 0 104 -2,-0.3 2,-2.1 1,-0.2 -1,-0.1 0.761 79.9 82.9 -82.9 -26.1 13.2 71.5 62.1 122 122 Q A + 0 0 74 2,-0.0 -1,-0.2 -37,-0.0 2,-0.2 -0.306 64.7 172.8 -79.2 59.1 12.3 71.4 65.8 123 123 Q R + 0 0 67 -2,-2.1 -38,-0.3 -3,-0.1 3,-0.1 -0.434 19.5 171.8 -70.8 134.1 15.9 70.9 67.1 124 124 Q T + 0 0 67 -40,-3.1 2,-0.5 -2,-0.2 -39,-0.2 0.460 66.0 65.7-118.5 -9.1 16.5 71.0 70.8 125 125 Q V S S- 0 0 0 -41,-2.0 2,-0.2 4,-0.0 -1,-0.2 -0.970 79.9-139.8-115.7 119.8 20.1 69.9 70.9 126 126 Q E > - 0 0 115 -2,-0.5 4,-1.7 1,-0.1 3,-0.5 -0.550 15.3-124.8 -79.7 146.2 22.5 72.4 69.2 127 127 Q S H > S+ 0 0 48 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.839 109.3 58.2 -54.8 -38.3 25.4 71.0 67.1 128 128 Q R H > S+ 0 0 172 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 104.0 49.8 -62.2 -41.4 27.9 72.9 69.2 129 129 Q Q H > S+ 0 0 102 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.924 114.8 44.4 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0.854 107.4 53.4 -72.2 -31.3 29.3 39.9 24.4 616 857 S E H X S+ 0 0 31 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.887 106.8 52.0 -67.8 -37.1 28.8 43.6 24.9 617 858 S I H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.926 108.4 51.5 -63.7 -41.0 25.7 42.8 27.0 618 859 S L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.913 105.7 56.0 -59.1 -43.3 27.9 40.5 29.1 619 860 S Q H X S+ 0 0 50 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.880 109.6 44.7 -59.0 -39.3 30.4 43.4 29.5 620 861 S V H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.893 109.0 56.9 -73.6 -36.4 27.6 45.6 30.9 621 862 S F H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-0.3 0.907 107.5 49.6 -57.0 -42.5 26.4 42.7 33.1 622 863 S Q H ><5S+ 0 0 35 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.893 108.1 52.0 -64.1 -41.7 29.9 42.5 34.6 623 864 S E H 3<5S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.7 46.3 -62.4 -35.2 30.0 46.2 35.3 624 865 S L T 3<5S- 0 0 33 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.422 111.1-121.9 -86.9 1.2 26.6 45.8 37.1 625 866 S N T < 5 + 0 0 29 -3,-1.1 61,-2.3 -4,-0.3 2,-1.4 0.828 58.7 152.9 59.6 32.4 27.9 42.8 39.1 626 867 S N B >< +o 686 0E 0 -5,-2.9 4,-2.1 59,-0.2 -1,-0.2 -0.732 13.4 171.6 -92.4 87.4 25.0 40.8 37.6 627 868 S F H > S+ 0 0 2 -2,-1.4 4,-2.3 59,-1.2 -1,-0.2 0.810 75.0 57.7 -68.5 -30.4 26.7 37.4 37.8 628 869 S N H > S+ 0 0 5 58,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.929 108.4 47.9 -65.4 -40.6 23.6 35.5 36.9 629 870 S G H > S+ 0 0 0 57,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.923 109.3 52.8 -64.3 -44.1 23.5 37.6 33.7 630 871 S V H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 3,-0.2 0.937 111.1 46.1 -57.7 -46.9 27.2 36.9 33.0 631 872 S L H X S+ 0 0 4 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.802 104.3 61.7 -70.8 -25.6 26.7 33.1 33.3 632 873 S E H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.908 110.6 41.9 -62.3 -41.0 23.6 33.2 31.1 633 874 S V H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.2 5,-0.2 0.936 114.7 48.9 -71.4 -47.1 25.8 34.5 28.3 634 875 S V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.914 110.2 52.8 -59.6 -43.0 28.7 32.1 29.1 635 876 S S H < S+ 0 0 1 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.891 111.2 46.6 -59.0 -40.5 26.3 29.2 29.2 636 877 S A H >< S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.2 6,-0.4 0.920 110.9 51.0 -68.4 -43.8 24.9 30.2 25.7 637 878 S M H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 114.5 45.3 -64.6 -26.7 28.4 30.6 24.2 638 879 S N T 3< S+ 0 0 15 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.356 87.3 114.5 -99.2 6.7 29.4 27.2 25.5 639 880 S S S <> S- 0 0 0 -3,-1.2 4,-3.1 -4,-0.2 3,-0.4 -0.377 81.3-107.9 -73.2 156.4 26.2 25.4 24.4 640 881 S S H > S+ 0 0 6 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.865 115.9 51.3 -53.8 -42.8 26.6 22.7 21.8 641 882 S P H 4 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.866 122.2 29.4 -65.1 -36.7 25.0 24.8 19.0 642 883 S V H >4 S+ 0 0 0 -3,-0.4 3,-2.1 -6,-0.4 -2,-0.2 0.861 106.8 67.2 -93.8 -41.6 27.1 27.8 19.5 643 884 S Y H 3< S+ 0 0 117 -4,-3.1 -3,-0.2 1,-0.3 -1,-0.1 0.811 99.1 55.0 -50.2 -35.6 30.4 26.5 20.8 644 885 S R T 3< S+ 0 0 53 -4,-0.9 2,-2.4 -5,-0.3 -1,-0.3 0.495 73.3 107.5 -82.1 -1.6 31.2 24.8 17.5 645 886 S L X> + 0 0 0 -3,-2.1 4,-2.1 1,-0.2 3,-1.3 -0.331 36.4 161.2 -78.4 63.9 30.8 28.0 15.3 646 887 S D H 3> S+ 0 0 111 -2,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.807 70.3 55.9 -51.3 -40.2 34.5 28.4 14.6 647 888 S H H 3> S+ 0 0 81 -3,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.784 110.0 47.1 -66.8 -27.5 34.0 30.6 11.6 648 889 S T H X4 S+ 0 0 0 -3,-1.3 3,-1.1 2,-0.2 4,-0.3 0.949 113.6 44.4 -78.6 -50.6 32.0 33.0 13.7 649 890 S F H >< S+ 0 0 35 -4,-2.1 3,-1.0 1,-0.3 -2,-0.2 0.768 103.1 67.5 -66.5 -23.6 34.3 33.2 16.7 650 891 S E H 3< S+ 0 0 144 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.845 102.8 46.3 -63.9 -33.1 37.3 33.6 14.3 651 892 S Q T << S+ 0 0 104 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.441 86.1 108.7 -90.1 0.4 35.9 37.0 13.3 652 893 S I S < S- 0 0 4 -3,-1.0 5,-0.1 -4,-0.3 -43,-0.0 -0.635 81.1-105.8 -78.7 129.2 35.2 38.2 16.8 653 894 S P >> - 0 0 45 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.227 25.8-118.3 -56.1 141.9 37.6 41.0 17.8 654 895 S S H 3> S+ 0 0 97 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.811 111.5 60.5 -49.7 -41.3 40.3 39.9 20.3 655 896 S R H 3> S+ 0 0 180 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.889 109.6 44.4 -58.1 -36.5 39.3 42.3 23.0 656 897 S Q H <> S+ 0 0 12 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.848 108.6 55.2 -77.3 -33.2 35.9 40.6 23.0 657 898 S K H X S+ 0 0 84 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.915 109.2 50.1 -62.1 -40.7 37.4 37.1 22.9 658 899 S K H X S+ 0 0 137 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.922 108.8 50.8 -62.9 -46.8 39.3 38.1 26.0 659 900 S I H X S+ 0 0 33 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.920 113.0 45.6 -57.9 -45.5 36.2 39.3 27.8 660 901 S L H X S+ 0 0 21 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.930 112.8 51.1 -65.6 -43.7 34.3 36.1 27.0 661 902 S E H X S+ 0 0 79 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.913 109.6 48.8 -60.2 -45.3 37.3 34.0 28.1 662 903 S E H X S+ 0 0 102 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.891 112.5 48.9 -63.3 -38.1 37.7 35.8 31.5 663 904 S A H >X S+ 0 0 0 -4,-1.9 3,-1.1 -5,-0.2 4,-0.6 0.933 111.2 50.3 -64.8 -45.0 33.9 35.4 32.1 664 905 S H H >X S+ 0 0 39 -4,-2.9 3,-1.3 1,-0.3 4,-0.6 0.905 103.7 60.6 -59.8 -38.9 34.2 31.7 31.2 665 906 S E H 3< S+ 0 0 50 -4,-2.5 8,-0.4 1,-0.3 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