==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-SEP-12 4GZL . COMPND 2 MOLECULE: RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.H.HA,T.J.BOGGON . 347 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 0 0 3 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 2 3 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 1 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 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 3 A A 0 0 110 0, 0.0 2,-0.4 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 150.1 -12.8 -28.9 21.0 2 4 A I E -a 51 0A 14 48,-2.3 50,-3.5 2,-0.0 2,-0.6 -0.903 360.0-139.3-101.4 135.5 -11.4 -27.7 17.7 3 5 A K E -a 52 0A 29 -2,-0.4 71,-2.9 69,-0.2 72,-1.6 -0.915 23.4-178.5 -99.5 115.4 -8.9 -24.8 18.0 4 6 A C E -ab 53 75A 0 48,-2.5 50,-3.0 -2,-0.6 2,-0.5 -0.978 8.6-160.5-117.7 123.3 -9.6 -22.3 15.2 5 7 A V E -ab 54 76A 0 70,-2.1 72,-2.6 -2,-0.5 2,-0.5 -0.891 3.8-153.0-113.1 133.0 -7.2 -19.3 15.1 6 8 A V E +ab 55 77A 0 48,-3.0 50,-1.6 -2,-0.5 2,-0.3 -0.902 22.9 161.7-113.7 122.5 -8.2 -16.2 13.3 7 9 A V E + b 0 78A 0 70,-2.8 72,-3.0 -2,-0.5 2,-0.2 -0.877 10.6 116.0-132.3 167.1 -5.6 -13.8 11.8 8 10 A G E - b 0 79A 0 -2,-0.3 72,-0.2 70,-0.2 3,-0.1 -0.798 65.2 -40.0 148.4 167.5 -5.4 -11.0 9.2 9 11 A D S > S- 0 0 25 70,-0.6 3,-1.8 -2,-0.2 5,-0.3 -0.102 73.5 -84.4 -59.0 154.2 -4.6 -7.2 9.0 10 12 A G T 3 S+ 0 0 25 48,-0.8 -1,-0.1 1,-0.3 47,-0.1 -0.250 113.2 13.9 -53.1 140.5 -5.8 -4.8 11.8 11 13 A A T 3 S+ 0 0 45 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.502 82.6 121.3 70.8 9.2 -9.4 -3.7 11.2 12 14 A V S < S- 0 0 4 -3,-1.8 70,-0.2 67,-0.1 68,-0.1 0.749 90.2 -99.6 -75.6 -14.8 -10.4 -6.2 8.5 13 15 A G S > S+ 0 0 20 -4,-0.2 4,-2.1 100,-0.1 5,-0.2 0.645 74.8 140.7 110.6 23.7 -13.2 -7.4 10.9 14 16 A K H > S+ 0 0 11 -5,-0.3 4,-1.9 2,-0.2 5,-0.2 0.944 79.0 43.9 -56.3 -53.6 -12.0 -10.5 12.6 15 17 A T H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.934 113.0 52.6 -62.3 -44.1 -13.5 -9.6 16.0 16 18 A C H > S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.898 108.8 50.4 -59.6 -39.3 -16.8 -8.5 14.4 17 19 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.923 113.5 44.1 -68.7 -38.7 -17.1 -11.7 12.6 18 20 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.867 117.7 44.0 -70.6 -39.6 -16.5 -13.8 15.7 19 21 A I H X>S+ 0 0 37 -4,-3.0 4,-2.6 2,-0.2 6,-0.8 0.935 112.9 51.2 -74.4 -41.5 -18.8 -11.8 17.9 20 22 A S H X5S+ 0 0 3 -4,-3.2 4,-1.9 -5,-0.3 -2,-0.2 0.927 114.9 45.4 -55.7 -44.6 -21.5 -11.6 15.2 21 23 A Y H <5S+ 0 0 34 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.922 119.6 36.7 -67.5 -47.2 -21.3 -15.4 14.8 22 24 A T H <5S+ 0 0 45 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.766 137.2 15.5 -80.1 -24.9 -21.3 -16.4 18.5 23 25 A T H <5S- 0 0 81 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.617 87.6-125.4-124.5 -12.3 -23.7 -13.7 19.8 24 26 A N S < S- 0 0 63 -26,-0.3 3,-1.6 -50,-0.2 -2,-0.1 -0.258 78.5-125.6 -59.8 139.6 -1.7 -4.8 14.5 60 62 A E G > S+ 0 0 155 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.725 100.5 77.6 -64.1 -18.5 2.0 -5.1 13.6 61 63 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.644 94.6 52.2 -58.6 -15.8 3.1 -4.4 17.3 62 64 A Y G X> S+ 0 0 44 -3,-1.6 4,-3.6 1,-0.2 3,-0.8 0.260 73.8 107.8-110.5 10.2 2.1 -8.0 18.1 63 65 A D T <4 S+ 0 0 47 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.878 80.9 48.9 -54.8 -43.2 4.1 -9.7 15.3 64 66 A R T 34 S+ 0 0 127 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.734 121.6 35.9 -71.1 -20.1 6.7 -11.2 17.8 65 67 A L T X4 S+ 0 0 5 -3,-0.8 3,-1.8 2,-0.1 4,-0.3 0.804 97.0 76.3-104.4 -33.3 3.9 -12.4 20.1 66 68 A R G >< S+ 0 0 5 -4,-3.6 3,-2.3 1,-0.3 4,-0.2 0.841 86.6 61.8 -51.8 -45.2 1.1 -13.6 17.8 67 69 A P G > S+ 0 0 17 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 0.717 84.4 78.0 -64.9 -15.7 2.7 -16.9 16.7 68 70 A L G < S+ 0 0 25 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.728 89.5 60.0 -54.6 -25.0 2.7 -18.1 20.4 69 71 A S G < S+ 0 0 2 -3,-2.3 -1,-0.3 -4,-0.3 -3,-0.1 0.576 90.3 75.6 -74.6 -17.3 -1.0 -18.7 19.7 70 72 A Y X + 0 0 0 -3,-2.2 3,-1.9 -4,-0.2 -1,-0.2 0.820 58.2 102.8 -80.1 -37.3 -0.3 -21.2 16.8 71 73 A P T 3 S+ 0 0 80 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.105 94.2 12.8 -47.6 139.5 0.9 -24.5 18.3 72 74 A Q T 3 S+ 0 0 158 1,-0.2 -69,-0.2 2,-0.1 2,-0.1 0.579 85.7 158.5 73.9 5.9 -1.9 -27.1 18.2 73 75 A T < - 0 0 10 -3,-1.9 -1,-0.2 1,-0.1 -69,-0.2 -0.436 28.9-162.1 -62.1 138.9 -4.3 -25.1 15.9 74 76 A D S S- 0 0 56 -71,-2.9 2,-0.3 1,-0.4 -70,-0.2 0.785 72.8 -4.0 -87.3 -33.8 -6.8 -27.2 14.0 75 77 A V E -b 4 0A 0 -72,-1.6 -70,-2.1 31,-0.1 2,-0.4 -0.981 64.7-143.7-158.4 142.1 -7.7 -24.8 11.4 76 78 A F E -bd 5 108A 0 31,-2.7 33,-2.8 -2,-0.3 2,-0.6 -0.920 2.8-153.0-107.0 144.3 -6.8 -21.2 10.6 77 79 A L E -bd 6 109A 0 -72,-2.6 -70,-2.8 -2,-0.4 2,-0.7 -0.961 10.7-164.3-107.8 115.6 -9.0 -18.4 9.2 78 80 A I E -bd 7 110A 0 31,-2.3 33,-2.4 -2,-0.6 2,-0.3 -0.927 17.5-165.4 -97.3 121.7 -6.8 -15.9 7.2 79 81 A C E +bd 8 111A 1 -72,-3.0 -70,-0.6 -2,-0.7 2,-0.3 -0.790 18.8 170.5-112.8 148.0 -9.0 -12.8 6.8 80 82 A F E - d 0 112A 0 31,-1.9 33,-2.4 -2,-0.3 2,-0.3 -0.979 39.1-105.4-148.8 148.4 -8.8 -9.7 4.6 81 83 A S E > - d 0 113A 3 -2,-0.3 3,-2.3 31,-0.2 7,-0.2 -0.599 18.4-140.7 -78.7 134.1 -11.3 -7.0 3.9 82 84 A L T 3 S+ 0 0 0 31,-2.7 53,-2.9 -2,-0.3 -1,-0.1 0.611 105.6 50.8 -64.9 -15.8 -12.9 -7.2 0.4 83 85 A V T 3 S+ 0 0 23 51,-0.2 -1,-0.3 30,-0.2 31,-0.1 0.132 98.1 71.1-112.0 24.7 -12.6 -3.5 0.3 84 86 A S <> - 0 0 44 -3,-2.3 4,-1.3 1,-0.1 3,-0.4 -0.794 54.7-174.6-138.9 91.6 -9.0 -3.2 1.2 85 87 A P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 86.6 59.1 -54.7 -37.3 -6.6 -4.4 -1.6 86 88 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 105.4 48.4 -52.2 -49.4 -3.6 -4.0 0.8 87 89 A S H > S+ 0 0 1 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.838 110.0 52.6 -62.9 -30.5 -5.1 -6.4 3.3 88 90 A F H >X S+ 0 0 22 -4,-1.3 3,-1.1 -7,-0.2 4,-0.6 0.923 108.7 48.5 -69.6 -48.7 -5.7 -8.9 0.4 89 91 A E H >X S+ 0 0 80 -4,-2.6 4,-2.7 1,-0.3 3,-0.8 0.868 105.5 60.6 -60.8 -36.5 -2.1 -8.7 -0.8 90 92 A N H 3X>S+ 0 0 48 -4,-2.4 5,-2.4 -5,-0.2 4,-2.2 0.714 85.6 76.5 -64.7 -17.9 -1.0 -9.2 2.9 91 93 A V H <<>S+ 0 0 0 -3,-1.1 5,-2.5 -4,-0.5 -1,-0.2 0.956 114.7 19.6 -51.7 -48.3 -2.8 -12.6 2.8 92 94 A R H <<5S+ 0 0 115 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.786 126.3 55.0 -96.2 -28.0 0.1 -13.9 0.8 93 95 A A H <5S- 0 0 58 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.869 132.0 -5.2 -73.6 -32.4 2.7 -11.3 1.7 94 96 A K T X5S+ 0 0 41 -4,-2.2 4,-2.0 -5,-0.2 -3,-0.2 0.742 127.1 48.1-124.4 -55.7 2.4 -11.7 5.6 95 97 A W H > S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 114.4 51.8 -64.0 -39.9 4.1 -17.2 5.5 98 100 A E H X S+ 0 0 29 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.927 113.9 43.2 -64.3 -46.3 3.6 -16.4 9.2 99 101 A V H >X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 3,-0.6 0.967 117.7 45.8 -62.5 -49.7 1.0 -19.2 9.7 100 102 A R H 3< S+ 0 0 57 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.752 100.5 66.9 -66.0 -33.4 3.1 -21.7 7.7 101 103 A H H 3< S+ 0 0 151 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.924 120.1 23.1 -44.3 -47.8 6.4 -20.8 9.4 102 104 A H H << S+ 0 0 88 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.821 133.3 33.3 -94.9 -34.0 4.8 -22.3 12.5 103 105 A C < + 0 0 8 -4,-2.9 -1,-0.2 -5,-0.1 3,-0.1 -0.802 59.5 177.9-131.2 84.2 2.2 -24.7 11.3 104 106 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.774 80.4 28.9 -61.9 -24.9 3.1 -26.4 8.0 105 107 A N S S+ 0 0 145 2,-0.1 3,-0.1 -5,-0.0 -5,-0.1 0.618 81.0 119.7-111.1 -23.6 0.0 -28.6 7.6 106 108 A T - 0 0 22 -3,-0.1 -31,-0.1 1,-0.1 -32,-0.1 -0.237 70.0-108.2 -59.6 130.3 -2.8 -27.0 9.3 107 109 A P - 0 0 36 0, 0.0 -31,-2.7 0, 0.0 2,-0.4 -0.238 31.4-151.2 -58.1 141.2 -5.7 -26.3 7.0 108 110 A I E -d 76 0A 0 40,-0.4 42,-3.1 -33,-0.2 43,-0.7 -0.954 7.7-161.7-113.7 134.6 -6.3 -22.6 6.0 109 111 A I E -de 77 151A 1 -33,-2.8 -31,-2.3 -2,-0.4 2,-0.5 -0.987 15.8-143.9-105.0 129.3 -9.6 -21.1 5.1 110 112 A L E -de 78 152A 0 41,-2.2 43,-2.9 -2,-0.5 2,-0.5 -0.806 19.8-168.3 -93.1 128.8 -9.3 -17.8 3.3 111 113 A V E -de 79 153A 0 -33,-2.4 -31,-1.9 -2,-0.5 2,-0.5 -0.961 14.6-154.8-125.7 122.6 -12.1 -15.4 4.3 112 114 A G E -de 80 154A 0 41,-2.9 43,-2.5 -2,-0.5 3,-0.2 -0.865 25.6-159.0 -94.6 125.0 -13.0 -12.2 2.5 113 115 A T E +d 81 0A 4 -33,-2.4 -31,-2.7 -2,-0.5 -30,-0.2 -0.510 59.9 40.3-105.7 174.0 -14.8 -9.9 5.0 114 116 A K >> + 0 0 73 -33,-0.2 3,-2.4 -2,-0.2 4,-0.6 0.863 61.5 165.7 52.9 44.9 -17.1 -6.8 4.8 115 117 A L H >> + 0 0 6 40,-2.6 3,-1.2 1,-0.3 4,-0.5 0.853 67.2 66.8 -56.4 -33.2 -19.0 -8.4 2.0 116 118 A D H 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.1 40,-0.1 0.692 101.7 48.4 -61.7 -17.0 -21.8 -5.9 2.4 117 119 A L H X4 S+ 0 0 53 -3,-2.4 3,-1.3 1,-0.1 -1,-0.2 0.630 89.7 84.5 -95.4 -10.1 -19.3 -3.1 1.3 118 120 A R H << S+ 0 0 20 -3,-1.2 -2,-0.1 -4,-0.6 -1,-0.1 0.839 104.1 24.9 -69.1 -36.3 -18.0 -4.9 -1.8 119 121 A D T 3< S+ 0 0 100 -4,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.058 91.9 126.4-119.1 21.1 -20.7 -3.9 -4.2 120 122 A D <> - 0 0 61 -3,-1.3 4,-2.7 1,-0.1 5,-0.2 -0.731 56.3-142.5 -83.5 127.5 -21.7 -0.7 -2.2 121 123 A K H > S+ 0 0 149 -2,-0.5 4,-2.5 1,-0.3 5,-0.1 0.832 98.4 49.5 -60.0 -44.6 -21.6 2.3 -4.6 122 124 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.883 113.8 48.0 -63.1 -42.1 -20.2 4.8 -2.1 123 125 A T H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.893 111.7 48.6 -65.9 -41.0 -17.5 2.3 -1.2 124 126 A I H X S+ 0 0 63 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.903 112.7 50.4 -66.0 -36.2 -16.7 1.7 -4.9 125 127 A E H X S+ 0 0 106 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.933 109.6 48.2 -67.8 -48.9 -16.6 5.5 -5.5 126 128 A K H X S+ 0 0 122 -4,-2.3 4,-1.0 1,-0.2 3,-0.2 0.937 114.3 47.1 -56.9 -46.5 -14.2 6.2 -2.6 127 129 A L H <>S+ 0 0 22 -4,-2.2 5,-2.6 1,-0.2 3,-0.4 0.875 107.6 57.6 -62.2 -37.5 -11.9 3.4 -3.7 128 130 A K H ><5S+ 0 0 145 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.862 98.0 58.2 -65.8 -39.6 -12.0 4.6 -7.3 129 131 A E H 3<5S+ 0 0 148 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.861 108.7 47.6 -49.0 -41.0 -10.7 8.0 -6.3 130 132 A K T 3<5S- 0 0 162 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.334 121.8-114.7 -84.9 10.0 -7.7 6.0 -5.0 131 133 A K T < 5S+ 0 0 183 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.762 79.5 118.8 59.5 30.5 -7.6 4.1 -8.4 132 134 A L < - 0 0 73 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.687 47.7-157.2-122.2 171.0 -8.6 0.9 -6.5 133 135 A T - 0 0 86 -2,-0.2 3,-0.1 -3,-0.1 -9,-0.1 -0.964 32.5 -90.1-149.5 153.7 -11.5 -1.5 -6.7 134 136 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -51,-0.2 -0.266 52.5 -93.0 -66.1 158.8 -12.9 -4.1 -4.3 135 137 A I - 0 0 3 -53,-2.9 2,-0.2 -54,-0.1 -53,-0.0 -0.559 45.1-140.9 -69.3 129.7 -11.6 -7.6 -4.4 136 138 A T > - 0 0 63 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.497 20.6-108.6 -91.8 161.4 -13.8 -9.7 -6.7 137 139 A Y H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 118.2 50.8 -55.3 -48.7 -14.9 -13.3 -6.0 138 140 A P H > S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 108.9 52.0 -60.4 -33.8 -12.6 -14.7 -8.8 139 141 A Q H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 109.8 49.4 -66.7 -39.7 -9.6 -12.8 -7.5 140 142 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.914 109.5 51.8 -60.8 -40.5 -10.2 -14.2 -4.0 141 143 A L H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.903 108.7 50.6 -63.8 -38.6 -10.5 -17.7 -5.5 142 144 A A H X S+ 0 0 61 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.893 110.6 48.9 -66.2 -36.8 -7.1 -17.2 -7.2 143 145 A M H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.880 107.8 54.6 -71.2 -39.6 -5.5 -16.1 -4.0 144 146 A A H <>S+ 0 0 4 -4,-2.5 5,-2.7 1,-0.2 4,-0.3 0.923 111.4 46.3 -56.3 -44.2 -7.0 -19.2 -2.2 145 147 A K H ><5S+ 0 0 181 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.889 108.7 53.9 -63.7 -44.1 -5.4 -21.4 -4.8 146 148 A E H 3<5S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 115.5 40.4 -63.5 -34.6 -2.0 -19.5 -4.6 147 149 A I T 3<5S- 0 0 1 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.405 110.1-119.9 -97.0 8.2 -1.9 -20.1 -0.8 148 150 A G T < 5 + 0 0 51 -3,-1.0 -40,-0.4 -4,-0.3 -3,-0.2 0.838 50.0 171.7 61.5 28.1 -3.3 -23.8 -0.9 149 151 A A < - 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