==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-11 3SBE . COMPND 2 MOLECULE: RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.H.HA,T.J.BOGGON . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 5.6 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 . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 25.8 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 1 2 3 0 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 1 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 1 0 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 0 A Q 0 0 215 0, 0.0 2,-0.3 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0-175.4 14.7 5.7 -0.2 2 1 A G - 0 0 21 48,-0.1 2,-0.3 50,-0.0 50,-0.3 -0.964 360.0 -79.1-151.2 165.1 14.0 7.7 -3.4 3 2 A Q E -a 52 0A 98 48,-1.8 50,-1.4 -2,-0.3 2,-0.2 -0.521 47.4-124.5 -71.2 126.0 14.2 11.1 -5.0 4 3 A A E +a 53 0A 78 -2,-0.3 2,-0.3 48,-0.2 50,-0.2 -0.538 31.6 178.4 -71.8 132.8 11.2 13.4 -4.1 5 4 A I E -a 54 0A 3 48,-2.1 50,-3.8 -2,-0.2 2,-0.7 -0.950 18.1-149.4-139.8 118.8 9.2 14.8 -7.0 6 5 A K E -a 55 0A 25 -2,-0.3 71,-2.3 69,-0.3 72,-1.4 -0.779 16.6-175.3 -92.9 116.3 6.2 17.0 -6.5 7 6 A C E -ab 56 78A 0 48,-2.8 50,-2.7 -2,-0.7 2,-0.4 -0.962 6.3-161.3-114.8 123.7 3.7 16.5 -9.3 8 7 A V E -ab 57 79A 0 70,-1.9 72,-2.7 -2,-0.5 2,-0.5 -0.878 4.2-151.9-111.2 141.1 0.6 18.8 -9.3 9 8 A V E +ab 58 80A 0 48,-2.3 50,-1.3 -2,-0.4 2,-0.3 -0.940 20.5 169.0-120.0 120.2 -2.5 17.9 -11.3 10 9 A V E + b 0 81A 0 70,-3.2 72,-3.3 -2,-0.5 2,-0.2 -0.919 13.4 97.3-133.1 158.5 -4.9 20.6 -12.6 11 10 A G E - b 0 82A 0 -2,-0.3 72,-0.1 70,-0.2 3,-0.1 -0.849 61.8 -23.9 152.1 176.5 -7.9 21.0 -14.9 12 11 A D S > S- 0 0 30 70,-0.5 3,-1.9 78,-0.3 4,-0.3 0.055 73.1 -84.7 -48.8 148.9 -11.7 21.2 -15.3 13 12 A G T 3 S+ 0 0 34 48,-0.7 -1,-0.1 1,-0.2 47,-0.1 -0.316 114.4 8.7 -46.6 131.7 -14.2 19.9 -12.8 14 13 A A T 3 S+ 0 0 47 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.501 82.5 126.9 74.5 11.4 -14.8 16.2 -13.7 15 14 A V S < S- 0 0 4 -3,-1.9 70,-0.1 67,-0.1 -2,-0.1 0.846 86.2 -97.5 -70.1 -25.4 -12.1 15.7 -16.3 16 15 A G S > S+ 0 0 22 -4,-0.3 4,-1.3 -5,-0.1 5,-0.1 0.618 76.3 139.6 116.2 25.8 -10.7 12.6 -14.3 17 16 A K H >> S+ 0 0 9 -5,-0.3 4,-1.3 2,-0.2 3,-0.5 0.992 80.5 39.6 -56.1 -61.4 -7.8 14.1 -12.3 18 17 A T H >> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.953 115.2 50.8 -53.3 -62.3 -8.7 12.0 -9.2 19 18 A C H 3> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.756 106.3 57.7 -45.8 -31.5 -9.6 8.8 -11.0 20 19 A L H S- 0 0 77 -26,-0.3 3,-1.4 -50,-0.2 -2,-0.1 -0.284 77.8-126.8 -58.9 139.4 -14.2 23.7 -9.6 63 62 A E G > S+ 0 0 142 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.670 99.5 79.8 -62.8 -19.8 -13.8 27.5 -9.9 64 63 A D G 3 S+ 0 0 120 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.801 94.9 49.3 -58.7 -27.0 -14.7 28.0 -6.2 65 64 A Y G <> S+ 0 0 64 -3,-1.4 4,-3.0 1,-0.2 -1,-0.3 0.237 73.8 109.9 -97.1 9.3 -11.2 27.0 -5.4 66 65 A D T <4 S+ 0 0 59 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.858 85.4 45.1 -52.6 -36.2 -9.6 29.4 -7.9 67 66 A R T 4 S+ 0 0 239 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.831 120.0 37.4 -75.9 -38.4 -8.4 31.4 -4.9 68 67 A L T >4 S+ 0 0 106 -4,-0.2 3,-1.3 1,-0.1 4,-0.2 0.705 98.7 78.5 -91.1 -21.3 -7.2 28.5 -2.8 69 68 A R G >< S+ 0 0 11 -4,-3.0 3,-2.4 1,-0.2 4,-0.2 0.892 81.3 61.7 -62.1 -44.8 -5.7 26.3 -5.5 70 69 A P G > S+ 0 0 20 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.569 82.0 82.7 -67.3 -3.3 -2.3 28.0 -6.2 71 70 A L G < S+ 0 0 145 -3,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.759 88.6 57.7 -62.2 -25.7 -1.3 27.3 -2.6 72 71 A S G < S+ 0 0 11 -3,-2.4 -1,-0.3 -4,-0.2 -3,-0.1 0.603 92.6 74.3 -69.8 -18.4 -0.4 23.9 -4.0 73 72 A Y X + 0 0 0 -3,-1.5 3,-1.5 -4,-0.2 -1,-0.2 0.812 59.0 102.9 -85.3 -36.4 2.0 25.3 -6.6 74 73 A P T 3 S+ 0 0 79 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.190 94.5 11.0 -47.0 136.6 5.3 26.5 -4.9 75 74 A Q T 3 S+ 0 0 174 1,-0.2 -69,-0.3 2,-0.1 2,-0.2 0.654 85.7 162.3 70.7 19.7 8.2 24.0 -5.4 76 75 A T < - 0 0 6 -3,-1.5 -1,-0.2 1,-0.2 -69,-0.2 -0.516 28.5-162.5 -75.8 137.4 6.4 22.0 -8.1 77 76 A D S S- 0 0 60 -71,-2.3 2,-0.3 1,-0.4 -70,-0.2 0.799 72.6 -9.4 -87.5 -30.9 8.7 19.8 -10.1 78 77 A V E -b 7 0A 0 -72,-1.4 -70,-1.9 31,-0.2 -1,-0.4 -0.958 64.6-140.8-165.6 148.1 6.2 19.2 -13.0 79 78 A F E -bd 8 111A 0 31,-2.5 33,-1.6 -2,-0.3 2,-0.5 -0.867 3.5-148.6-117.1 151.0 2.5 19.8 -13.7 80 79 A L E -bd 9 112A 0 -72,-2.7 -70,-3.2 -2,-0.3 2,-0.7 -0.986 9.4-162.4-115.4 122.1 -0.1 17.8 -15.4 81 80 A I E -bd 10 113A 0 31,-2.5 33,-2.9 -2,-0.5 2,-0.4 -0.943 19.3-158.3-102.5 119.7 -2.7 19.8 -17.1 82 81 A C E +bd 11 114A 0 -72,-3.3 -70,-0.5 -2,-0.7 2,-0.3 -0.784 19.5 170.1-107.2 137.9 -5.6 17.6 -17.7 83 82 A F E - d 0 115A 0 31,-2.8 33,-3.4 -2,-0.4 2,-0.4 -0.984 35.8-114.0-140.5 151.2 -8.5 17.7 -20.1 84 83 A S E > - d 0 116A 5 -2,-0.3 3,-1.2 3,-0.3 33,-0.2 -0.709 15.8-142.3 -80.1 129.7 -11.2 15.2 -21.1 85 84 A L T 3 S+ 0 0 0 31,-3.0 53,-2.9 -2,-0.4 -1,-0.1 0.589 103.9 53.4 -64.0 -5.9 -10.8 14.0 -24.7 86 85 A V T 3 S+ 0 0 20 51,-0.2 -1,-0.2 30,-0.2 3,-0.1 0.392 97.9 62.5-114.4 -5.7 -14.6 14.2 -24.7 87 86 A S X> - 0 0 41 -3,-1.2 4,-1.1 1,-0.1 3,-0.9 -0.858 54.4-175.8-123.4 97.6 -15.3 17.8 -23.4 88 87 A P H 3> S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.735 87.5 65.4 -59.3 -23.4 -13.9 20.3 -25.9 89 88 A A H 3> S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -2,-0.0 0.898 101.4 47.1 -62.0 -40.6 -15.0 22.9 -23.3 90 89 A S H <4 S+ 0 0 2 -3,-0.9 -78,-0.3 1,-0.2 -1,-0.2 0.732 109.6 58.5 -72.2 -25.3 -12.4 21.4 -21.0 91 90 A F H >< S+ 0 0 12 -4,-1.1 3,-2.2 2,-0.2 4,-0.4 0.960 102.1 47.9 -66.2 -57.2 -10.0 21.6 -23.9 92 91 A E H >X S+ 0 0 96 -4,-2.2 4,-1.9 1,-0.3 3,-1.2 0.876 102.2 65.8 -59.4 -38.7 -10.1 25.4 -24.6 93 92 A N H 3X>S+ 0 0 53 -4,-1.3 5,-3.3 1,-0.2 4,-1.8 0.563 81.9 79.6 -56.5 -12.3 -9.6 26.1 -20.9 94 93 A V H <4>S+ 0 0 0 -3,-2.2 5,-3.0 3,-0.2 -1,-0.2 0.962 112.1 19.9 -63.6 -48.6 -6.2 24.6 -21.2 95 94 A R H <45S+ 0 0 134 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.694 129.6 52.8 -87.6 -22.4 -4.9 27.9 -22.8 96 95 A A H <5S- 0 0 65 -4,-1.9 -3,-0.2 3,-0.1 -2,-0.2 0.965 133.7 -5.6 -74.4 -53.9 -7.8 30.0 -21.4 97 96 A K T X5S+ 0 0 48 -4,-1.8 4,-1.9 3,-0.1 -3,-0.2 0.812 129.3 47.9-111.1 -43.5 -7.6 29.0 -17.7 98 97 A W H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.983 111.9 49.0 -64.3 -52.9 -2.2 31.0 -17.5 101 100 A E H X S+ 0 0 27 -4,-1.9 4,-1.2 1,-0.2 5,-0.2 0.918 116.9 42.7 -50.0 -48.7 -2.9 30.0 -13.9 102 101 A V H >X S+ 0 0 0 -4,-1.9 4,-3.8 1,-0.2 3,-0.6 0.942 115.9 44.6 -67.4 -52.8 0.1 27.7 -13.8 103 102 A R H 3< S+ 0 0 55 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.743 106.4 64.4 -64.3 -24.5 2.7 29.9 -15.6 104 103 A H H 3< S+ 0 0 149 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.890 120.3 21.0 -64.5 -39.7 1.5 32.8 -13.5 105 104 A H H << S+ 0 0 90 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.755 139.9 29.8 -97.5 -32.8 2.8 31.1 -10.3 106 105 A C < + 0 0 10 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.774 64.2 168.9-132.1 85.5 5.3 28.7 -11.9 107 106 A P S S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.586 78.9 32.6 -79.6 -10.2 6.7 30.2 -15.1 108 107 A N S S+ 0 0 151 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.670 86.1 110.7-114.4 -27.4 9.6 27.7 -15.7 109 108 A T S S- 0 0 30 -7,-0.1 -31,-0.2 1,-0.1 -30,-0.1 -0.270 75.3-103.3 -62.6 125.3 8.2 24.4 -14.3 110 109 A P - 0 0 35 0, 0.0 -31,-2.5 0, 0.0 2,-0.4 -0.029 31.5-150.4 -55.9 149.0 7.5 21.7 -17.0 111 110 A I E -d 79 0A 0 40,-0.4 42,-3.9 -33,-0.2 43,-0.6 -0.930 8.7-165.7-117.8 144.4 4.0 20.9 -18.2 112 111 A I E -de 80 154A 0 -33,-1.6 -31,-2.5 -2,-0.4 2,-0.5 -1.000 18.3-141.8-125.2 122.0 2.6 17.7 -19.6 113 112 A L E -de 81 155A 0 41,-2.2 43,-2.3 -2,-0.5 2,-0.5 -0.796 19.1-161.9 -85.8 132.8 -0.7 18.0 -21.3 114 113 A V E -de 82 156A 0 -33,-2.9 -31,-2.8 -2,-0.5 2,-0.7 -0.959 14.4-159.2-125.8 119.4 -2.9 15.0 -20.6 115 114 A G E -de 83 157A 0 41,-2.1 43,-3.6 -2,-0.5 3,-0.3 -0.893 24.4-168.1 -95.6 116.0 -6.0 13.9 -22.5 116 115 A T E +d 84 0A 4 -33,-3.4 -31,-3.0 -2,-0.7 -30,-0.2 -0.485 58.1 45.8 -98.3 169.7 -8.0 11.8 -20.2 117 116 A K >> + 0 0 64 -33,-0.2 3,-2.5 -2,-0.2 4,-0.5 0.757 58.5 160.7 72.1 27.2 -11.0 9.5 -20.9 118 117 A L T 34 + 0 0 10 40,-3.5 3,-0.5 -3,-0.3 4,-0.2 0.696 65.2 68.3 -53.5 -22.2 -9.4 7.9 -24.0 119 118 A D T 34 S+ 0 0 32 1,-0.2 -1,-0.3 39,-0.1 3,-0.1 0.559 98.5 49.8 -76.7 -9.2 -11.8 5.0 -23.7 120 119 A L T X4 S+ 0 0 40 -3,-2.5 3,-1.0 1,-0.1 -1,-0.2 0.557 83.0 85.6-106.8 -11.7 -14.8 7.1 -24.7 121 120 A R T 3< S+ 0 0 52 -4,-0.5 -1,-0.1 -3,-0.5 -2,-0.1 0.697 100.6 38.4 -66.0 -17.2 -13.5 8.8 -27.8 122 121 A D T 3 S+ 0 0 122 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.403 89.6 120.0-108.8 -1.2 -14.6 5.8 -29.9 123 122 A D <> - 0 0 58 -3,-1.0 4,-3.0 1,-0.1 5,-0.2 -0.515 55.1-152.1 -71.3 125.1 -17.9 5.2 -27.9 124 123 A K H > S+ 0 0 164 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.947 98.7 55.1 -58.9 -51.6 -21.0 5.4 -30.1 125 124 A D H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 116.2 37.2 -44.7 -48.7 -23.0 6.5 -27.0 126 125 A T H > S+ 0 0 16 2,-0.2 4,-1.1 -6,-0.2 -2,-0.2 0.815 114.8 51.5 -83.7 -33.4 -20.5 9.4 -26.4 127 126 A I H X S+ 0 0 56 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.903 114.7 46.0 -65.7 -40.7 -19.8 10.4 -30.0 128 127 A E H X S+ 0 0 88 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.862 106.1 59.3 -67.2 -38.6 -23.6 10.6 -30.5 129 128 A K H X S+ 0 0 118 -4,-1.5 4,-0.5 -5,-0.3 -1,-0.2 0.821 114.2 37.4 -58.8 -33.3 -24.1 12.5 -27.3 130 129 A L H ><>S+ 0 0 16 -4,-1.1 5,-2.0 2,-0.2 3,-0.7 0.822 101.9 70.4 -89.0 -36.7 -21.8 15.2 -28.6 131 130 A K H ><5S+ 0 0 142 -4,-2.2 3,-1.7 1,-0.3 4,-0.2 0.921 96.5 57.7 -46.7 -51.6 -23.0 15.1 -32.2 132 131 A E H 3<5S+ 0 0 134 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.846 104.9 47.8 -38.9 -54.1 -26.3 16.7 -30.9 133 132 A K T <<5S- 0 0 142 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 -0.017 125.1 -95.6 -92.7 33.1 -24.6 19.8 -29.4 134 133 A K T < 5S+ 0 0 203 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.737 79.3 156.1 68.4 28.6 -22.4 20.5 -32.6 135 134 A L < - 0 0 62 -5,-2.0 -1,-0.2 -4,-0.2 -5,-0.1 -0.602 40.5-168.1-114.1 151.7 -19.5 18.7 -31.1 136 135 A T - 0 0 79 -2,-0.2 2,-0.2 -6,-0.1 -9,-0.0 -0.983 28.2-124.7-125.1 132.7 -16.3 16.8 -31.8 137 136 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -51,-0.2 -0.509 47.3 -92.7 -67.5 148.9 -14.2 14.6 -29.4 138 137 A I - 0 0 8 -53,-2.9 2,-0.1 -2,-0.2 -17,-0.1 -0.524 42.2-146.8 -76.7 119.0 -10.6 15.9 -29.3 139 138 A T > - 0 0 60 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.475 24.4-108.7 -80.8 157.7 -8.3 14.1 -31.7 140 139 A Y H > S+ 0 0 106 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.876 118.0 51.2 -47.7 -51.0 -4.6 13.3 -31.1 141 140 A P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 112.5 46.8 -60.5 -38.6 -3.4 15.9 -33.7 142 141 A Q H > S+ 0 0 82 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.874 114.0 47.7 -65.1 -46.4 -5.6 18.6 -32.1 143 142 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -3,-0.2 0.948 112.5 49.0 -60.3 -48.0 -4.3 17.6 -28.6 144 143 A L H X S+ 0 0 81 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.915 109.9 52.5 -56.1 -44.4 -0.8 17.6 -29.8 145 144 A A H X S+ 0 0 59 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.938 107.9 50.3 -59.9 -47.3 -1.4 21.1 -31.4 146 145 A M H X S+ 0 0 12 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.837 109.9 51.8 -55.9 -40.0 -2.7 22.5 -28.0 147 146 A A H ><>S+ 0 0 4 -4,-2.0 5,-2.2 2,-0.2 3,-0.6 0.923 109.1 48.4 -63.1 -48.7 0.4 21.1 -26.2 148 147 A K H ><5S+ 0 0 181 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.918 108.6 56.3 -57.1 -44.1 2.7 22.8 -28.7 149 148 A E H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.755 113.9 38.1 -60.6 -30.3 0.8 26.0 -28.2 150 149 A I T <<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.311 112.0-115.1-104.0 8.3 1.3 25.9 -24.5 151 150 A G T < 5 + 0 0 50 -3,-1.3 -40,-0.4 -4,-0.5 -3,-0.2 0.755 49.2 177.6 60.9 22.1 4.9 24.6 -24.6 152 151 A A < - 0 0 17 -5,-2.2 -40,-0.2 -6,-0.2 -1,-0.2 -0.314 31.9-135.7 -47.3 138.8 3.8 21.4 -22.9 153 152 A V S S+ 0 0 81 -42,-3.9 2,-0.3 1,-0.2 -41,-0.2 0.708 82.3 3.7 -79.5 -19.5 6.9 19.2 -22.7 154 153 A K E -e 112 0A 95 -43,-0.6 -41,-2.2 -7,-0.1 2,-0.4 -0.969 62.4-140.1-156.5 151.3 4.9 16.2 -23.8 155 154 A Y E +e 113 0A 13 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.986 29.0 174.9-113.2 135.4 1.4 15.3 -24.9 156 155 A L E -e 114 0A 24 -43,-2.3 -41,-2.1 -2,-0.4 2,-0.4 -0.999 17.5-152.0-144.2 133.8 -0.0 12.0 -23.6 157 156 A E E +e 115 0A 26 -2,-0.4 2,-0.3 -43,-0.2 -41,-0.2 -0.848 25.5 158.3-108.0 142.1 -3.5 10.4 -23.8 158 157 A C - 0 0 0 -43,-3.6 -40,-3.5 -2,-0.4 2,-0.3 -0.923 34.7-141.3-148.2 174.9 -5.0 8.0 -21.3 159 158 A S > - 0 0 0 5,-1.4 4,-1.0 -2,-0.3 7,-0.3 -0.962 5.1-161.7-134.7 126.3 -8.0 6.3 -19.7 160 159 A A T 4 S+ 0 0 11 -2,-0.3 -1,-0.1 3,-0.1 5,-0.0 0.733 94.7 55.0 -69.4 -26.2 -8.1 5.7 -15.9 161 160 A L T 4 S+ 0 0 90 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.993 122.8 21.4 -71.7 -67.6 -10.8 3.1 -16.6 162 161 A T T 4 S- 0 0 82 2,-0.1 -2,-0.1 1,-0.1 -1,-0.1 0.820 99.0-133.1 -65.0 -31.1 -9.0 0.8 -19.2 163 162 A Q >< + 0 0 69 -4,-1.0 3,-1.0 1,-0.3 4,-0.4 0.580 49.7 157.0 77.6 13.4 -5.6 2.1 -17.9 164 163 A R T 3 S+ 0 0 152 1,-0.2 -5,-1.4 2,-0.1 -1,-0.3 -0.588 73.3 3.5 -67.5 122.9 -4.6 2.6 -21.6 165 164 A G T 3> S+ 0 0 28 -2,-0.4 4,-1.1 -7,-0.2 -1,-0.2 0.312 100.8 121.4 85.4 -6.4 -1.8 5.2 -21.6 166 165 A L H X> + 0 0 3 -3,-1.0 3,-1.1 -7,-0.3 4,-0.8 0.927 68.3 41.7 -59.7 -60.4 -1.8 5.4 -17.8 167 166 A K H >> S+ 0 0 126 -4,-0.4 4,-2.6 1,-0.3 3,-0.7 0.845 108.5 61.4 -64.4 -31.9 1.7 4.4 -16.7 168 167 A T H 3> S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.807 94.8 64.2 -65.1 -27.9 3.3 6.5 -19.5 169 168 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-1.4 0.882 110.8 56.0 -69.7 -37.5 9.1 11.9 -13.9 175 174 A R H 3< S+ 0 0 96 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.778 94.7 64.9 -69.7 -27.3 11.1 12.3 -17.2 176 175 A A T 3< S+ 0 0 25 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.1 0.619 113.0 36.5 -64.1 -15.0 10.3 16.1 -17.4 177 176 A V T <4 0 0 44 -3,-1.4 -2,-0.2 -4,-0.2 -1,-0.1 0.841 360.0 360.0-107.5 -54.1 12.3 16.5 -14.2 178 177 A L < 0 0 74 -4,-1.8 0, 0.0 0, 0.0 0, 0.0 -0.169 360.0 360.0 -55.3 360.0 15.3 14.0 -14.2