==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-98 2NGR . COMPND 2 MOLECULE: PROTEIN (GTP BINDING PROTEIN (G25K)); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.NASSAR,G.HOFFMAN,J.CLARDY,R.CERIONE . 387 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.8 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 . 0 0.0 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 . 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 . 17 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 1 0 2 2 2 0 4 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 1 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 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 1 A M 0 0 145 0, 0.0 2,-0.3 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 107.0 17.5 28.0 -0.3 2 2 A Q E -a 51 0A 106 48,-1.5 50,-2.0 2,-0.0 2,-0.3 -0.763 360.0-126.1-111.8 158.3 15.6 24.7 -0.5 3 3 A T E -a 52 0A 77 -2,-0.3 2,-0.5 48,-0.2 50,-0.2 -0.809 7.9-158.8-108.4 144.4 16.0 21.4 1.4 4 4 A I E -a 53 0A 5 48,-2.6 50,-2.6 -2,-0.3 2,-0.5 -0.968 17.0-153.8-119.0 107.0 16.4 17.9 0.1 5 5 A K E -a 54 0A 23 -2,-0.5 71,-2.2 69,-0.4 72,-1.4 -0.759 14.3-179.4 -89.7 123.8 15.4 15.4 2.7 6 6 A C E -ab 55 77A 0 48,-3.1 50,-3.1 -2,-0.5 2,-0.5 -0.991 7.8-163.5-123.7 119.3 17.0 11.9 2.5 7 7 A V E -ab 56 78A 0 70,-1.9 72,-2.8 -2,-0.5 2,-0.6 -0.917 9.0-145.8-109.1 132.4 16.1 9.3 5.1 8 8 A V E +ab 57 79A 0 48,-2.8 50,-0.8 -2,-0.5 2,-0.3 -0.864 23.1 173.1-101.5 121.2 18.3 6.2 5.6 9 9 A V E + b 0 80A 0 70,-3.1 72,-3.5 -2,-0.6 2,-0.2 -0.914 16.6 107.4-127.5 154.9 16.6 2.8 6.5 10 10 A G E - b 0 81A 0 -2,-0.3 72,-0.2 70,-0.2 3,-0.1 -0.816 64.6 -48.7 156.7 166.0 17.8 -0.8 6.9 11 11 A D S > S- 0 0 5 70,-0.5 3,-1.5 -2,-0.2 5,-0.2 -0.090 70.7 -80.5 -59.0 157.3 18.4 -3.5 9.5 12 12 A G T 3 S+ 0 0 6 48,-0.3 228,-0.3 1,-0.2 -1,-0.1 -0.196 112.1 14.2 -59.4 145.1 20.5 -2.8 12.6 13 13 A A T 3 S+ 0 0 23 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.518 85.3 120.4 66.5 10.4 24.3 -2.9 12.3 14 14 A V S < S- 0 0 3 -3,-1.5 68,-0.1 67,-0.1 70,-0.1 0.700 89.7 -97.9 -75.2 -18.6 24.2 -2.8 8.4 15 15 A G S > S+ 0 0 18 -4,-0.2 4,-1.7 -5,-0.1 101,-0.1 0.695 76.0 138.5 110.3 25.6 26.2 0.5 8.4 16 16 A K H > S+ 0 0 13 -5,-0.2 4,-1.8 2,-0.2 5,-0.1 0.936 80.1 43.5 -64.3 -49.3 23.8 3.4 8.1 17 17 A T H > S+ 0 0 35 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.934 114.4 48.9 -63.1 -48.1 25.5 5.6 10.7 18 18 A C H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.838 108.2 56.6 -60.6 -34.0 29.0 4.8 9.4 19 19 A L H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.940 114.2 38.6 -61.4 -46.6 27.7 5.6 5.9 20 20 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.924 118.1 45.4 -70.8 -50.6 26.6 9.0 7.1 21 21 A I H X>S+ 0 0 44 -4,-3.2 4,-2.4 1,-0.2 6,-0.7 0.887 114.7 49.3 -63.3 -37.7 29.6 9.9 9.4 22 22 A S H X5S+ 0 0 2 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.866 113.3 46.7 -69.7 -37.5 32.1 8.7 6.8 23 23 A Y H <5S+ 0 0 47 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.880 120.7 36.6 -72.1 -40.1 30.5 10.7 4.0 24 24 A T H <5S+ 0 0 45 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.786 134.0 21.5 -84.9 -31.5 30.2 13.9 6.1 25 25 A T H <5S- 0 0 72 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.575 90.8-130.2-112.2 -13.9 33.4 13.8 8.1 26 26 A N S < S-C 49 0A 47 3,-2.6 3,-2.8 -2,-0.4 -2,-0.0 -0.962 72.8 -17.4-116.1 123.4 23.1 22.4 -7.9 47 47 A G T 3 S- 0 0 87 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.728 129.3 -54.2 56.6 22.2 23.0 24.2 -11.3 48 48 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.400 114.3 120.0 92.9 -1.2 24.0 27.3 -9.4 49 49 A E E < - C 0 46A 116 -3,-2.8 -3,-2.6 1,-0.0 -1,-0.3 -0.826 65.3-115.4-103.7 136.0 21.1 27.0 -6.9 50 50 A P E + C 0 45A 55 0, 0.0 -48,-1.5 0, 0.0 2,-0.3 -0.455 38.9 169.3 -71.1 131.9 21.5 26.6 -3.2 51 51 A Y E -aC 2 44A 33 -7,-2.8 -7,-2.9 -2,-0.2 2,-0.5 -0.970 27.0-146.5-141.4 153.6 20.4 23.5 -1.4 52 52 A T E -aC 3 43A 34 -50,-2.0 -48,-2.6 -2,-0.3 2,-0.8 -0.984 15.7-147.4-123.5 114.5 20.7 21.8 2.0 53 53 A L E -aC 4 42A 1 -11,-3.3 -11,-2.0 -2,-0.5 2,-0.7 -0.773 12.2-158.0 -85.3 108.9 20.8 18.0 2.0 54 54 A G E -aC 5 41A 7 -50,-2.6 -48,-3.1 -2,-0.8 2,-0.7 -0.835 5.0-161.9 -91.2 117.0 19.2 16.8 5.2 55 55 A L E -aC 6 40A 0 -15,-2.8 -15,-2.5 -2,-0.7 2,-0.5 -0.884 4.1-162.0-105.3 109.8 20.4 13.3 6.1 56 56 A F E -aC 7 39A 48 -50,-3.1 -48,-2.8 -2,-0.7 2,-0.4 -0.794 1.0-157.7 -99.5 125.3 18.1 11.5 8.6 57 57 A D E -aC 8 38A 1 -19,-3.9 -19,-1.7 -2,-0.5 2,-0.2 -0.826 13.4-173.3-102.1 135.6 19.4 8.5 10.5 58 58 A T E - C 0 37A 1 -50,-0.8 2,-0.5 -2,-0.4 -23,-0.2 -0.760 29.0-101.9-125.2 166.9 17.0 5.8 12.0 59 59 A A - 0 0 2 -23,-0.7 5,-0.1 -2,-0.2 9,-0.1 -0.795 22.1-157.1 -90.3 126.3 17.1 2.7 14.2 60 60 A G + 0 0 2 -2,-0.5 -48,-0.3 -49,-0.1 -1,-0.1 0.611 58.4 105.5 -79.1 -13.9 16.9 -0.6 12.3 61 61 A Q S > S- 0 0 4 -50,-0.2 3,-1.8 1,-0.1 -2,-0.1 -0.329 78.1-124.9 -67.9 149.6 15.5 -2.7 15.2 62 62 A E G > S+ 0 0 29 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.695 105.5 80.4 -65.4 -18.5 11.9 -3.8 15.2 63 63 A D G 3 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.677 96.3 43.1 -61.7 -17.8 11.8 -2.1 18.7 64 64 A Y G X> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.1 3,-0.5 0.263 76.3 109.9-113.1 8.7 11.5 1.2 16.8 65 65 A D T <4 S+ 0 0 58 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.765 81.6 51.3 -55.1 -28.0 8.9 0.3 14.2 66 66 A R T 34 S+ 0 0 109 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.841 118.2 34.8 -79.9 -33.8 6.3 2.4 16.0 67 67 A L T X4 S+ 0 0 4 -3,-0.5 3,-1.6 1,-0.1 -2,-0.2 0.727 98.4 78.9 -93.0 -27.3 8.5 5.6 16.2 68 68 A R G >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 4,-0.2 0.836 83.5 61.7 -53.6 -43.0 10.4 5.4 12.9 69 69 A P G > S+ 0 0 16 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.670 86.7 77.2 -61.8 -13.8 7.7 6.7 10.5 70 70 A L G < S+ 0 0 69 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.554 89.8 57.0 -70.9 -7.2 7.8 9.9 12.5 71 71 A S G < S+ 0 0 19 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.1 0.482 89.2 80.8 -98.9 -6.4 11.0 10.7 10.6 72 72 A Y X + 0 0 0 -3,-1.4 3,-1.8 -4,-0.2 116,-0.2 0.634 55.4 114.3 -78.4 -19.7 9.2 10.4 7.2 73 73 A P T 3 S+ 0 0 37 0, 0.0 116,-0.2 0, 0.0 32,-0.0 -0.315 88.7 8.0 -58.0 134.8 7.4 13.8 6.8 74 74 A Q T 3 S+ 0 0 119 114,-2.8 -69,-0.4 1,-0.2 2,-0.2 0.546 86.7 162.1 73.2 12.2 8.8 15.8 3.8 75 75 A T < - 0 0 0 -3,-1.8 113,-2.4 113,-0.2 -1,-0.2 -0.427 20.9-179.8 -68.1 132.3 11.0 13.0 2.6 76 76 A D S S+ 0 0 20 -71,-2.2 2,-0.3 1,-0.4 -70,-0.2 0.622 70.7 7.9-101.7 -24.8 12.2 13.4 -1.0 77 77 A V E -b 6 0A 0 -72,-1.4 -70,-1.9 31,-0.1 2,-0.4 -0.975 63.2-146.0-158.9 143.2 14.2 10.2 -1.3 78 78 A F E -bd 7 110A 0 31,-1.6 33,-2.4 -2,-0.3 2,-0.6 -0.905 6.6-149.6-112.0 144.8 14.9 7.1 0.8 79 79 A L E -bd 8 111A 0 -72,-2.8 -70,-3.1 -2,-0.4 2,-0.8 -0.957 13.0-163.0-113.5 106.4 18.1 5.1 1.1 80 80 A V E -bd 9 112A 0 31,-2.6 33,-3.2 -2,-0.6 2,-0.3 -0.853 17.5-164.2 -93.1 109.3 17.2 1.4 1.7 81 81 A C E +bd 10 113A 0 -72,-3.5 -70,-0.5 -2,-0.8 2,-0.3 -0.681 20.7 166.1-103.1 150.8 20.4 -0.2 3.0 82 82 A F E - d 0 114A 0 31,-1.8 33,-3.1 -2,-0.3 2,-0.4 -0.974 38.0-112.6-155.0 142.3 21.6 -3.8 3.5 83 83 A S E > - d 0 115A 5 -2,-0.3 3,-1.5 31,-0.2 7,-0.2 -0.667 19.1-140.4 -78.4 131.3 25.0 -5.4 4.1 84 84 A V T 3 S+ 0 0 0 31,-2.6 53,-2.3 -2,-0.4 -1,-0.1 0.583 103.4 52.9 -68.8 -7.1 26.3 -7.4 1.1 85 85 A V T 3 S+ 0 0 19 30,-0.3 -1,-0.3 51,-0.2 3,-0.1 -0.013 97.6 71.1-115.9 28.8 27.7 -9.9 3.6 86 86 A S X> - 0 0 31 -3,-1.5 4,-1.3 1,-0.1 3,-0.7 -0.751 54.6-176.8-145.8 86.6 24.4 -10.4 5.5 87 87 A P H 3> S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.825 84.5 64.4 -54.2 -32.7 21.8 -12.3 3.4 88 88 A S H 3> S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.906 101.9 46.5 -58.0 -47.5 19.4 -11.8 6.3 89 89 A S H <4 S+ 0 0 2 -3,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.813 109.9 54.8 -67.4 -30.8 19.4 -8.0 5.9 90 90 A F H >X S+ 0 0 29 -4,-1.3 3,-0.6 -7,-0.2 4,-0.5 0.799 105.4 52.6 -72.5 -30.3 18.9 -8.4 2.1 91 91 A E H >X S+ 0 0 66 -4,-1.6 4,-1.2 -3,-0.2 3,-0.9 0.899 102.8 58.4 -70.5 -42.1 15.8 -10.5 2.6 92 92 A N H 3X>S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 5,-2.0 0.545 89.0 76.1 -66.2 -8.4 14.2 -7.9 4.9 93 93 A V H <4>S+ 0 0 0 -3,-0.6 5,-2.6 -4,-0.3 -1,-0.2 0.926 108.6 27.4 -69.0 -45.2 14.5 -5.3 2.1 94 94 A K H <<5S+ 0 0 99 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.671 127.8 46.9 -90.6 -16.9 11.5 -6.8 0.3 95 95 A E H <5S- 0 0 89 -4,-1.2 -3,-0.2 3,-0.1 -2,-0.2 0.823 133.3 -0.8 -92.3 -35.5 9.8 -8.2 3.4 96 96 A K T X5S+ 0 0 20 -4,-2.2 4,-2.3 -5,-0.2 -3,-0.2 0.748 123.3 47.2-118.5 -65.8 10.1 -5.2 5.7 97 97 A W H > S+ 0 0 56 0, 0.0 4,-0.9 0, 0.0 -2,-0.2 0.917 111.0 47.8 -61.6 -40.6 6.7 -2.3 2.4 100 100 A E H X S+ 0 0 26 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.910 115.1 42.3 -67.2 -44.9 7.1 0.1 5.3 101 101 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 7,-0.2 0.834 114.5 50.0 -74.6 -30.8 8.3 3.1 3.3 102 102 A T H < S+ 0 0 58 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.675 106.7 57.7 -80.1 -15.7 5.8 2.6 0.4 103 103 A H H < S+ 0 0 138 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.915 119.5 27.9 -75.8 -46.2 3.0 2.3 3.0 104 104 A H H < S+ 0 0 55 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.798 135.7 29.2 -84.7 -33.4 3.6 5.8 4.4 105 105 A a >< + 0 0 2 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 -0.544 66.5 171.3-132.1 73.1 5.1 7.5 1.4 106 106 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.727 80.0 37.1 -49.7 -37.5 3.6 5.8 -1.8 107 107 A K T 3 S+ 0 0 134 79,-0.1 -5,-0.1 80,-0.1 80,-0.1 0.477 88.0 108.7-101.1 -3.6 5.1 8.3 -4.3 108 108 A T < - 0 0 8 -3,-1.2 -31,-0.1 -7,-0.2 79,-0.1 -0.634 66.9-125.8 -81.1 122.7 8.5 9.0 -2.8 109 109 A P - 0 0 15 0, 0.0 -31,-1.6 0, 0.0 2,-0.3 -0.141 27.0-168.1 -63.9 157.2 11.5 7.5 -4.7 110 110 A F E -d 78 0A 14 -33,-0.2 42,-2.8 40,-0.2 43,-0.4 -0.986 13.8-139.7-147.1 154.1 14.1 5.2 -3.1 111 111 A L E -d 79 0A 0 -33,-2.4 -31,-2.6 -2,-0.3 2,-0.6 -0.936 18.5-129.2-116.5 141.9 17.5 3.7 -3.9 112 112 A L E -de 80 154A 2 41,-2.4 43,-2.5 -2,-0.4 2,-0.6 -0.792 31.2-166.5 -88.5 118.0 18.7 0.2 -3.1 113 113 A V E -de 81 155A 0 -33,-3.2 -31,-1.8 -2,-0.6 2,-0.5 -0.915 11.7-158.7-116.7 114.7 22.0 0.6 -1.3 114 114 A G E -de 82 156A 0 41,-2.5 43,-2.3 -2,-0.6 3,-0.2 -0.738 20.7-164.1 -88.0 126.9 24.4 -2.3 -0.7 115 115 A T E +d 83 0A 4 -33,-3.1 -31,-2.6 -2,-0.5 -30,-0.3 -0.630 55.0 31.5-109.6 169.5 26.8 -1.6 2.1 116 116 A Q > + 0 0 48 -2,-0.2 3,-1.4 -33,-0.2 42,-0.2 0.862 58.5 162.1 55.7 45.5 30.2 -3.0 3.5 117 117 A I G > + 0 0 21 40,-1.6 3,-0.8 1,-0.3 4,-0.2 0.597 64.5 71.3 -70.3 -9.6 31.4 -4.1 0.0 118 118 A D G > S+ 0 0 48 1,-0.2 3,-0.8 39,-0.1 -1,-0.3 0.760 88.6 63.5 -75.9 -24.2 35.0 -4.3 1.4 119 119 A L G X S+ 0 0 45 -3,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.445 78.3 84.8 -80.9 0.4 34.0 -7.4 3.4 120 120 A R G < S+ 0 0 49 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.823 96.8 40.5 -68.8 -32.6 33.3 -9.4 0.2 121 121 A D G < S+ 0 0 150 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.062 89.1 123.6-101.8 20.6 37.0 -10.3 -0.1 122 122 A D <> - 0 0 55 -3,-1.0 4,-2.2 1,-0.2 5,-0.3 -0.733 53.9-148.9 -88.9 128.5 37.4 -10.9 3.7 123 123 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.984 97.3 43.0 -54.0 -68.7 38.7 -14.4 4.7 124 124 A S H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.773 115.2 52.6 -50.0 -35.1 37.0 -14.6 8.1 125 125 A T H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.970 109.2 42.8 -70.5 -57.0 33.7 -13.3 6.6 126 126 A I H X S+ 0 0 68 -4,-2.2 4,-1.9 1,-0.2 8,-0.2 0.848 114.5 57.5 -57.6 -32.7 33.2 -15.6 3.5 127 127 A E H X S+ 0 0 115 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.942 104.2 46.9 -62.8 -53.6 34.2 -18.4 5.9 128 128 A K H < S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 113.0 51.6 -61.8 -30.4 31.5 -17.8 8.5 129 129 A L H ><>S+ 0 0 17 -4,-1.7 5,-1.3 1,-0.2 3,-0.9 0.863 105.7 53.8 -73.5 -38.7 28.9 -17.5 5.7 130 130 A A H ><5S+ 0 0 56 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.755 93.8 70.6 -67.5 -25.5 30.0 -20.8 4.2 131 131 A K T 3<5S+ 0 0 130 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.144 110.2 34.8 -77.9 21.0 29.6 -22.6 7.6 132 132 A N T < 5S- 0 0 69 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.107 123.3 -99.6-157.4 17.8 25.8 -22.0 6.9 133 133 A K T < 5S+ 0 0 190 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.943 79.9 130.3 54.3 57.3 25.8 -22.5 3.1 134 134 A Q < - 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0 0 1 0, 0.0 3,-1.1 0, 0.0 72,-0.1 0.039 31.2-121.9 -41.3 142.0 4.3 -2.3 29.4 285 352 B L T 3 S+ 0 0 0 70,-0.5 72,-0.1 1,-0.3 39,-0.1 0.824 118.0 47.5 -57.8 -33.7 6.3 -4.4 31.8 286 353 B L T 3 S- 0 0 2 70,-1.9 4,-0.3 30,-0.1 -1,-0.3 0.646 114.0-132.2 -83.1 -12.3 7.1 -1.3 33.8 287 354 B T X - 0 0 21 -3,-1.1 3,-1.9 69,-0.3 4,-0.3 0.450 20.8 -88.9 71.2 148.5 3.4 -0.3 33.7 288 355 B F G > S+ 0 0 56 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.696 120.7 71.5 -59.4 -18.6 1.8 3.0 32.8 289 356 B D G 3 S+ 0 0 142 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.680 91.6 53.5 -73.3 -21.9 2.1 3.9 36.5 290 357 B L G <> S+ 0 0 3 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.464 83.2 96.3 -90.0 -1.4 5.9 4.3 36.4 291 358 B Y H <> S+ 0 0 49 -3,-0.9 4,-2.5 -4,-0.3 5,-0.3 0.908 82.0 47.5 -54.1 -49.8 5.6 6.7 33.5 292 359 B P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.939 111.6 51.3 -59.6 -44.2 5.7 9.9 35.7 293 360 B H H 4 S+ 0 0 32 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.886 112.7 47.2 -57.6 -42.3 8.8 8.5 37.6 294 361 B V H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.956 112.6 45.1 -66.8 -54.0 10.6 7.8 34.3 295 362 B V H 3< S+ 0 0 61 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.819 121.7 39.5 -63.0 -30.0 9.9 11.2 32.5 296 363 B G T >< S+ 0 0 24 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.3 0.099 82.0 115.1-107.0 23.8 10.8 13.2 35.7 297 364 B F G X S+ 0 0 5 -3,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.912 70.7 55.6 -57.2 -49.0 13.7 10.9 36.7 298 365 B L G 3 S+ 0 0 87 -4,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.473 94.7 68.1 -67.7 -4.3 16.4 13.6 36.2 299 366 B N G < S+ 0 0 146 -3,-1.3 2,-0.4 2,-0.1 -1,-0.3 0.451 82.3 92.8 -90.2 -7.1 14.7 16.0 38.5 300 367 B I S < S- 0 0 37 -3,-1.9 5,-0.1 -4,-0.2 -3,-0.0 -0.771 93.7-104.6 -87.8 131.6 15.5 13.6 41.4 301 368 B D > - 0 0 122 -2,-0.4 3,-2.3 1,-0.1 4,-0.5 -0.311 28.8-118.6 -56.5 136.7 18.8 14.5 43.1 302 369 B E G > S+ 0 0 141 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.856 115.4 56.2 -44.0 -42.9 21.5 12.0 42.0 303 370 B S G 3 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.708 109.6 46.3 -65.5 -22.1 21.9 10.9 45.7 304 371 B Q G <> S+ 0 0 107 -3,-2.3 4,-1.7 1,-0.1 -1,-0.2 0.326 85.7 92.2-103.9 6.3 18.1 10.0 45.8 305 372 B R H <> S+ 0 0 54 -3,-1.3 4,-1.8 -4,-0.5 -2,-0.1 0.913 87.1 44.6 -69.5 -42.3 17.9 8.1 42.5 306 373 B V H > S+ 0 0 27 -4,-0.4 4,-2.1 2,-0.2 5,-0.2 0.984 118.9 40.0 -67.7 -56.0 18.5 4.6 43.8 307 374 B P H > S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.829 114.4 54.2 -64.4 -30.0 16.2 4.8 46.9 308 375 B A H X S+ 0 0 27 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.919 112.1 44.4 -66.8 -42.5 13.5 6.7 45.0 309 376 B T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.815 106.6 60.8 -70.0 -33.7 13.5 3.9 42.4 310 377 B L H X S+ 0 0 66 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.894 106.2 46.7 -59.9 -42.0 13.5 1.2 45.1 311 378 B Q H < S+ 0 0 136 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.782 110.4 54.0 -71.4 -28.2 10.2 2.5 46.4 312 379 B V H >< S+ 0 0 18 -4,-1.0 3,-1.6 1,-0.2 4,-0.3 0.914 103.8 53.5 -72.5 -44.8 8.8 2.7 42.9 313 380 B L H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.759 98.6 67.0 -61.6 -25.5 9.6 -0.9 42.1 314 381 B Q T 3< S+ 0 0 139 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.684 94.7 56.8 -68.9 -21.1 7.7 -1.9 45.2 315 382 B T T < S+ 0 0 94 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.559 84.9 106.0 -87.6 -9.3 4.4 -0.7 43.7 316 383 B L S < S- 0 0 13 -3,-1.0 -30,-0.1 -4,-0.3 -29,-0.1 -0.408 84.6-100.3 -70.9 145.4 4.8 -3.0 40.7 317 384 B P >> - 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.414 39.1-111.4 -63.1 142.8 2.6 -6.2 40.5 318 385 B E H 3> S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.794 115.0 49.6 -48.1 -41.9 4.5 -9.2 41.7 319 386 B E H 3> S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 111.4 50.0 -68.5 -33.9 4.7 -11.0 38.3 320 387 B N H <> S+ 0 0 21 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.862 111.8 50.0 -69.6 -36.0 5.9 -7.8 36.6 321 388 B Y H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 111.1 46.4 -68.2 -48.4 8.6 -7.4 39.4 322 389 B Q H X S+ 0 0 43 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.904 112.3 50.0 -63.3 -42.2 9.9 -11.0 39.0 323 390 B V H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.901 113.8 46.4 -63.2 -39.3 10.1 -10.8 35.2 324 391 B L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.877 112.5 49.1 -69.1 -41.3 12.0 -7.5 35.5 325 392 B R H X S+ 0 0 82 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.920 114.9 46.4 -62.4 -44.1 14.3 -8.8 38.1 326 393 B F H X S+ 0 0 68 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.943 114.9 45.6 -62.9 -53.5 14.9 -11.9 35.9 327 394 B L H >X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 3,-0.7 0.957 113.2 46.9 -57.5 -58.1 15.4 -9.9 32.7 328 395 B T H 3X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.834 109.2 56.1 -56.1 -35.9 17.8 -7.3 34.1 329 396 B A H 3< S+ 0 0 35 -4,-1.6 4,-0.4 -5,-0.3 -1,-0.3 0.858 110.1 46.0 -64.2 -36.5 19.9 -9.9 35.9 330 397 B F H XX S+ 0 0 3 -4,-1.5 4,-1.4 -3,-0.7 3,-0.8 0.878 109.2 54.5 -73.9 -40.1 20.4 -11.6 32.5 331 398 B L H 3X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.882 101.6 56.6 -64.9 -36.6 21.2 -8.4 30.7 332 399 B V H 3X S+ 0 0 41 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.735 104.9 55.3 -67.2 -18.3 24.0 -7.5 33.1 333 400 B Q H <> S+ 0 0 68 -3,-0.8 4,-0.6 -4,-0.4 -1,-0.2 0.856 106.2 50.6 -76.6 -40.3 25.5 -10.9 32.2 334 401 B I H >< S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 9,-0.2 0.915 110.3 48.8 -63.0 -43.7 25.4 -9.9 28.6 335 402 B S H >< S+ 0 0 20 -4,-2.2 3,-2.5 1,-0.2 -1,-0.2 0.793 96.7 69.5 -68.9 -28.6 27.2 -6.6 29.3 336 403 B A H 3< S+ 0 0 68 -4,-1.1 3,-0.3 1,-0.3 -1,-0.2 0.793 105.7 43.5 -59.6 -24.2 29.9 -8.3 31.3 337 404 B H T XX S+ 0 0 65 -3,-1.0 4,-2.4 -4,-0.6 3,-1.8 0.029 77.4 124.0-107.2 24.3 31.0 -9.8 28.0 338 405 B S H <> + 0 0 27 -3,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.708 61.9 69.5 -59.7 -20.1 30.6 -6.4 26.1 339 406 B D H 34 S+ 0 0 126 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.768 114.5 26.2 -70.0 -25.1 34.2 -6.5 25.0 340 407 B Q H <4 S+ 0 0 101 -3,-1.8 -2,-0.2 -109,-0.2 -1,-0.2 0.808 131.8 36.4-101.9 -45.0 33.3 -9.5 22.7 341 408 B N H < S- 0 0 0 -4,-2.4 -106,-3.6 -110,-0.3 -105,-0.3 0.645 94.4-135.8 -84.5 -18.0 29.6 -8.9 22.0 342 409 B K < + 0 0 86 -4,-1.7 2,-1.1 -5,-0.4 -4,-0.2 0.381 61.5 129.4 76.9 2.0 29.8 -5.1 21.9 343 410 B M + 0 0 0 -9,-0.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.666 31.5 175.4 -96.8 88.9 26.7 -4.7 24.1 344 411 B T > - 0 0 56 -2,-1.1 4,-2.1 -6,-0.2 5,-0.2 -0.171 51.8 -94.8 -76.2 175.6 27.4 -2.3 27.0 345 412 B N H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.899 129.6 52.8 -61.1 -34.7 24.7 -1.2 29.4 346 413 B T H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 110.1 46.2 -64.4 -46.6 24.2 1.9 27.2 347 414 B N H > S+ 0 0 6 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.800 113.0 49.2 -68.5 -32.7 23.8 -0.2 24.0 348 415 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.878 106.6 56.2 -73.4 -39.4 21.3 -2.6 25.6 349 416 B A H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.870 102.9 57.0 -60.5 -37.3 19.2 0.3 27.0 350 417 B V H < S+ 0 0 15 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.959 115.0 34.1 -60.1 -52.2 18.8 1.7 23.5 351 418 B V H < S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.723 125.8 40.8 -78.8 -21.7 17.3 -1.5 22.1 352 419 B F H >X S+ 0 0 1 -4,-2.2 3,-2.3 2,-0.1 4,-0.8 0.812 93.2 81.6 -93.8 -34.4 15.4 -2.6 25.2 353 420 B G H >X S+ 0 0 0 -4,-2.6 3,-1.6 -5,-0.3 4,-0.9 0.841 92.3 47.4 -36.9 -60.7 14.1 0.8 26.4 354 421 B P H 34 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.576 107.2 58.7 -64.4 -11.0 11.0 1.0 24.1 355 422 B N H <4 S+ 0 0 0 -3,-2.3 -70,-0.5 1,-0.1 -2,-0.2 0.582 106.4 48.2 -91.3 -13.9 10.0 -2.7 24.9 356 423 B L H << S+ 0 0 4 -3,-1.6 -70,-1.9 -4,-0.8 2,-0.3 0.611 123.1 7.4 -99.7 -18.3 9.7 -1.9 28.6 357 424 B L < + 0 0 0 -4,-0.9 -1,-0.3 -72,-0.1 2,-0.3 -0.947 61.3 158.1-165.8 143.5 7.6 1.3 28.5 358 425 B W - 0 0 31 -2,-0.3 2,-0.2 -3,-0.1 4,-0.1 -0.939 32.7-110.8-156.5 172.3 5.7 3.4 26.1 359 426 B A - 0 0 7 2,-0.3 6,-0.1 -2,-0.3 -2,-0.0 -0.640 39.8-101.3-105.4 170.4 2.9 6.0 25.8 360 427 B K S S+ 0 0 157 -2,-0.2 2,-0.4 4,-0.0 3,-0.1 0.685 108.1 44.0 -65.2 -19.4 -0.5 5.5 24.2 361 428 B D S > S- 0 0 83 1,-0.1 4,-2.0 0, 0.0 -2,-0.3 -0.966 79.3-130.1-129.9 144.6 0.6 7.3 21.1 362 429 B A H > S+ 0 0 16 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.899 109.3 53.9 -57.1 -43.6 3.9 7.1 19.1 363 430 B A H > S+ 0 0 44 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.907 109.1 47.3 -58.7 -45.1 4.3 10.8 19.1 364 431 B I H > S+ 0 0 79 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.885 112.0 52.1 -63.7 -39.7 4.1 11.0 22.9 365 432 B T H >X S+ 0 0 3 -4,-2.0 4,-0.7 1,-0.2 3,-0.7 0.916 103.2 56.6 -63.4 -45.3 6.5 8.1 23.2 366 433 B L H >< S+ 0 0 56 -4,-2.5 3,-0.6 1,-0.3 4,-0.4 0.852 104.6 53.2 -56.0 -38.1 9.1 9.7 21.0 367 434 B K H 3< S+ 0 0 174 -4,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.823 116.5 38.5 -68.0 -30.6 9.2 12.8 23.2 368 435 B A H S+ 0 0 110 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.936 112.5 46.6 -70.4 -45.5 15.4 9.6 25.8 371 438 B P H > S+ 0 0 27 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.855 111.2 54.9 -63.1 -33.0 14.1 9.5 29.4 372 439 B I H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.934 110.0 43.5 -65.8 -45.6 12.9 5.9 28.8 373 440 B N H X S+ 0 0 14 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.799 111.1 55.7 -71.1 -27.9 16.3 4.6 27.7 374 441 B T H X S+ 0 0 59 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.860 108.5 47.4 -70.5 -39.0 18.1 6.5 30.5 375 442 B F H X S+ 0 0 1 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.826 110.6 52.5 -71.2 -33.4 15.9 4.7 33.1 376 443 B T H >X S+ 0 0 3 -4,-1.5 4,-1.5 2,-0.2 3,-0.5 0.933 109.6 48.3 -67.0 -45.2 16.6 1.4 31.4 377 444 B K H 3X S+ 0 0 65 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.840 108.7 55.4 -62.9 -33.7 20.3 1.9 31.6 378 445 B F H 3X S+ 0 0 22 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.779 103.6 54.7 -69.0 -30.1 19.9 2.9 35.2 379 446 B L H << S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.856 114.2 40.7 -70.6 -36.8 18.2 -0.4 35.9 380 447 B L H >< S+ 0 0 7 -4,-1.5 3,-1.0 2,-0.2 4,-0.2 0.899 112.9 52.4 -77.8 -43.6 21.2 -2.3 34.5 381 448 B D H 3< S+ 0 0 75 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.799 123.8 29.5 -63.0 -31.3 23.9 -0.0 36.0 382 449 B H T >X S+ 0 0 46 -4,-1.3 4,-1.6 -5,-0.2 3,-1.4 0.056 78.4 130.5-119.6 27.1 22.4 -0.5 39.5 383 450 B Q H <> S+ 0 0 32 -3,-1.0 4,-2.7 1,-0.3 3,-0.3 0.849 74.4 50.8 -47.8 -46.4 20.9 -4.0 39.2 384 451 B G H 34 S+ 0 0 65 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.750 112.4 46.5 -67.1 -25.4 22.4 -5.3 42.4 385 452 B E H <4 S+ 0 0 115 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.680 119.1 40.6 -88.3 -21.2 21.2 -2.3 44.4 386 453 B L H < S+ 0 0 6 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.786 114.9 45.7 -96.8 -34.3 17.7 -2.5 43.0 387 454 B F < 0 0 7 -4,-2.7 -1,-0.2 -5,-0.2 -77,-0.0 -0.945 360.0 360.0-120.0 134.1 17.0 -6.2 42.9 388 455 B P 0 0 116 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.182 360.0 360.0 -70.1 360.0 17.7 -8.8 45.6