==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDOCYTOSIS/EXOCYTOSIS 03-FEB-04 1S94 . COMPND 2 MOLECULE: S-SYNTAXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO PEALEI; . AUTHOR A.BRACHER,W.WEISSENHORN . 227 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 95.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 5 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 31 A G > 0 0 95 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 29.0 55.4 48.2 14.3 2 32 A F H > + 0 0 124 1,-0.1 4,-1.3 3,-0.1 0, 0.0 0.736 360.0 40.9 -73.9 -23.2 55.0 46.6 17.7 3 33 A M H > S+ 0 0 20 2,-0.2 4,-0.8 3,-0.1 -1,-0.1 0.785 108.3 53.4-102.7 -40.3 58.4 47.8 18.9 4 34 A E H > S+ 0 0 173 2,-0.2 4,-1.4 1,-0.1 -2,-0.1 0.845 117.5 44.3 -57.8 -36.3 58.7 51.3 17.6 5 35 A E H X S+ 0 0 53 -4,-0.9 4,-2.4 1,-0.2 5,-0.3 0.970 102.1 62.7 -72.5 -57.7 55.4 51.8 19.4 6 36 A F H X S+ 0 0 19 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.694 105.2 50.6 -45.5 -23.4 56.3 50.0 22.5 7 37 A F H X S+ 0 0 74 -4,-0.8 4,-3.1 2,-0.2 3,-0.4 0.962 106.6 49.6 -77.6 -61.3 59.0 52.7 23.1 8 38 A E H < S+ 0 0 75 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.805 114.3 49.8 -41.8 -34.2 56.8 55.8 22.5 9 39 A Q H >X S+ 0 0 34 -4,-2.4 4,-1.8 2,-0.2 3,-1.0 0.919 112.1 46.5 -73.7 -44.7 54.4 54.1 25.0 10 40 A V H 3X S+ 0 0 4 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.947 106.6 56.2 -61.9 -48.1 57.3 53.5 27.5 11 41 A E H 3X S+ 0 0 64 -4,-3.1 4,-1.4 1,-0.2 -1,-0.3 0.577 106.6 55.1 -63.7 -4.4 58.6 57.0 27.1 12 42 A E H <> S+ 0 0 81 -3,-1.0 4,-2.0 -5,-0.4 -2,-0.2 0.886 107.1 44.6 -89.2 -51.4 55.1 58.0 28.2 13 43 A I H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.772 115.3 55.5 -52.1 -27.8 55.1 56.0 31.4 14 44 A R H X S+ 0 0 137 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.982 110.9 37.4 -76.2 -60.7 58.6 57.4 31.8 15 45 A A H X S+ 0 0 62 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.683 114.1 58.6 -71.1 -15.5 57.8 61.1 31.6 16 46 A M H X S+ 0 0 28 -4,-2.0 4,-1.9 2,-0.2 3,-0.3 0.975 103.0 54.3 -69.0 -54.7 54.5 60.4 33.5 17 47 A I H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.627 107.0 49.8 -53.1 -25.4 56.7 59.1 36.3 18 48 A D H X S+ 0 0 71 -4,-0.9 4,-4.0 2,-0.2 5,-0.5 0.892 105.7 55.5 -81.7 -43.7 58.8 62.3 36.5 19 49 A K H X S+ 0 0 53 -4,-1.6 4,-1.3 -3,-0.3 -2,-0.2 0.914 112.4 45.0 -50.1 -40.3 55.6 64.4 36.7 20 50 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.883 116.7 44.2 -79.1 -31.8 54.7 62.3 39.6 21 51 A S H X S+ 0 0 26 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.970 111.6 50.9 -72.9 -52.9 58.2 62.5 41.1 22 52 A D H X S+ 0 0 68 -4,-4.0 4,-0.5 1,-0.2 -1,-0.2 0.872 112.0 55.8 -44.5 -32.3 58.6 66.2 40.4 23 53 A N H >X S+ 0 0 36 -4,-1.3 4,-2.2 -5,-0.5 3,-2.1 0.951 98.1 53.8 -74.0 -48.6 55.2 66.2 42.2 24 54 A V H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.915 103.1 63.1 -51.3 -41.6 56.1 64.5 45.5 25 55 A D H 3X S+ 0 0 109 -4,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.732 106.3 41.9 -54.3 -28.6 58.8 67.2 45.7 26 56 A A H S+ 0 0 13 -5,-0.3 4,-1.9 -4,-0.2 -2,-0.2 0.811 115.6 30.6 -99.3 -65.2 57.2 67.8 50.3 29 59 A K H >X S+ 0 0 42 -4,-1.4 4,-1.8 2,-0.2 3,-1.6 0.995 123.4 48.7 -52.5 -70.2 58.1 71.5 50.6 30 60 A K H 3X S+ 0 0 36 -4,-1.5 4,-1.7 1,-0.3 -3,-0.2 0.835 111.2 51.2 -43.9 -43.8 54.4 72.7 50.5 31 61 A H H 3> S+ 0 0 43 -5,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.874 109.2 50.9 -64.0 -38.9 53.5 70.1 53.2 32 62 A S H X< S+ 0 0 11 -4,-1.9 3,-0.5 -3,-1.6 -1,-0.2 0.966 102.6 57.0 -57.2 -55.8 56.3 71.2 55.5 33 63 A D H 3< S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.890 104.3 54.9 -51.0 -46.5 55.5 74.9 55.4 34 64 A I H 3< S+ 0 0 71 -4,-1.7 2,-1.2 -5,-0.2 -1,-0.3 0.933 100.6 65.0 -44.7 -55.6 52.0 74.0 56.6 35 65 A L << 0 0 7 -4,-1.5 -1,-0.2 -3,-0.5 191,-0.1 -0.608 360.0 360.0 -76.5 95.2 53.7 72.2 59.6 36 66 A S 0 0 122 -2,-1.2 187,-0.1 189,-0.1 186,-0.0 -0.417 360.0 360.0 164.4 360.0 55.3 75.1 61.4 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 74 A M > 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -64.0 48.0 76.0 50.5 39 75 A K H > + 0 0 85 1,-0.2 4,-1.0 2,-0.2 -8,-0.0 0.869 360.0 35.8 -56.1 -34.9 45.6 73.7 52.4 40 76 A E H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.888 110.5 60.2 -80.9 -47.3 44.0 73.3 49.0 41 77 A E H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.817 107.8 48.8 -51.1 -30.8 47.2 73.4 47.0 42 78 A L H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.929 107.6 50.2 -78.4 -48.7 48.4 70.3 48.9 43 79 A E H < S+ 0 0 61 -4,-1.0 4,-0.4 -5,-0.2 -2,-0.2 0.745 111.7 51.9 -63.4 -25.6 45.2 68.2 48.5 44 80 A E H >X S+ 0 0 52 -4,-1.9 4,-2.0 2,-0.2 3,-1.1 0.931 109.8 46.7 -71.0 -53.3 45.4 68.9 44.7 45 81 A L H 3X S+ 0 0 37 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.927 110.8 54.1 -53.5 -41.5 49.0 67.9 44.4 46 82 A M H 3X S+ 0 0 73 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.682 106.5 52.0 -72.9 -15.9 48.2 64.7 46.4 47 83 A T H <> S+ 0 0 88 -3,-1.1 4,-2.8 -4,-0.4 -1,-0.2 0.848 105.7 51.7 -88.9 -42.2 45.4 63.8 44.1 48 84 A D H X>S+ 0 0 73 -4,-2.0 4,-2.1 1,-0.2 5,-0.8 0.967 109.7 52.0 -51.4 -52.6 47.4 64.0 40.9 49 85 A I H X5S+ 0 0 1 -4,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.886 112.6 44.3 -59.4 -37.2 49.9 61.8 42.5 50 86 A K H X5S+ 0 0 52 -4,-0.9 4,-1.3 -5,-0.2 -1,-0.3 0.892 124.4 34.8 -69.8 -39.2 47.2 59.3 43.4 51 87 A R H >X5S+ 0 0 55 -4,-2.8 4,-1.9 2,-0.2 3,-1.0 0.987 116.0 48.8 -81.4 -67.8 45.6 59.5 40.0 52 88 A T H 3X5S+ 0 0 38 -4,-2.1 4,-2.1 1,-0.3 -3,-0.2 0.803 110.2 58.1 -45.6 -33.5 48.5 60.0 37.6 53 89 A A H 3XX S+ 0 0 122 -4,-1.9 3,-2.8 2,-0.2 4,-2.2 1.000 112.7 42.5 -51.6 -65.1 47.2 55.9 35.0 56 92 A V H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.3 -2,-0.3 0.842 107.0 60.6 -50.8 -38.9 50.8 54.7 35.1 57 93 A R H 3< S+ 0 0 178 -4,-2.8 4,-0.4 1,-0.2 -1,-0.3 0.676 112.7 40.7 -66.9 -11.9 49.8 51.6 37.1 58 94 A G H XX S+ 0 0 32 -3,-2.8 4,-2.6 -4,-0.6 3,-0.7 0.857 105.1 57.8-101.1 -51.3 47.6 50.7 34.1 59 95 A K H 3X S+ 0 0 50 -4,-2.2 4,-1.4 1,-0.3 -2,-0.2 0.755 108.5 56.2 -52.5 -22.9 49.8 51.6 31.2 60 96 A L H 3X S+ 0 0 10 -4,-1.4 4,-3.5 -5,-0.4 -1,-0.3 0.864 102.6 49.6 -73.8 -43.9 52.0 49.1 32.9 61 97 A K H <> S+ 0 0 50 -3,-0.7 4,-2.7 -4,-0.4 5,-0.3 0.933 106.4 57.3 -64.2 -42.4 49.4 46.2 32.9 62 98 A T H X S+ 0 0 92 -4,-2.6 4,-2.7 2,-0.2 3,-0.2 0.963 115.2 37.9 -47.3 -57.2 48.9 46.8 29.3 63 99 A I H X S+ 0 0 14 -4,-1.4 4,-2.3 1,-0.2 5,-0.3 0.939 114.3 52.8 -58.4 -55.9 52.7 46.2 28.9 64 100 A E H X S+ 0 0 84 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.867 114.9 44.8 -43.3 -39.3 53.0 43.4 31.5 65 101 A L H X S+ 0 0 52 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.965 110.0 50.2 -83.0 -51.7 50.2 41.7 29.6 66 102 A N H X S+ 0 0 93 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.891 115.1 46.4 -49.3 -48.3 51.4 42.1 26.0 67 103 A I H < S+ 0 0 27 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.988 112.0 51.3 -52.2 -61.7 54.8 40.8 27.0 68 104 A E H >< S+ 0 0 121 -4,-2.1 3,-1.3 -5,-0.3 -2,-0.2 0.861 113.8 41.8 -51.0 -47.0 53.3 37.9 28.9 69 105 A Q H 3< S+ 0 0 85 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.931 109.6 58.1 -70.1 -43.2 51.1 36.7 26.1 70 106 A E T 3< 0 0 110 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.351 360.0 360.0 -70.6 9.7 53.8 37.2 23.5 71 107 A E < 0 0 109 -3,-1.3 -3,-0.0 -4,-0.3 -4,-0.0 -0.595 360.0 360.0 -91.3 360.0 56.0 34.8 25.6 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 113 A S 0 0 134 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-170.9 63.4 36.7 20.9 74 114 A A > + 0 0 69 2,-0.1 4,-1.6 3,-0.1 5,-0.1 0.662 360.0 51.3-118.0 -42.6 65.6 39.9 21.1 75 115 A D H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 0, 0.0 0.745 115.0 49.7 -65.0 -24.5 63.1 42.7 20.6 76 116 A L H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.1 5,-0.3 0.951 103.9 55.8 -68.3 -57.5 61.2 40.9 23.4 77 117 A R H > S+ 0 0 166 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.784 105.9 54.1 -54.9 -29.7 64.2 40.7 25.7 78 118 A I H >X S+ 0 0 66 -4,-1.6 4,-2.3 2,-0.2 3,-0.5 0.985 109.2 46.7 -59.6 -62.0 64.5 44.5 25.4 79 119 A R H 3X S+ 0 0 16 -4,-1.3 4,-3.2 1,-0.3 5,-0.4 0.943 107.7 53.2 -46.6 -64.7 60.8 45.0 26.5 80 120 A K H 3X S+ 0 0 39 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.837 112.7 49.0 -42.9 -38.9 60.9 42.7 29.5 81 121 A T H XX S+ 0 0 60 -4,-1.1 4,-2.0 -3,-0.5 3,-1.1 0.987 112.8 43.9 -63.9 -61.0 64.0 44.7 30.6 82 122 A Q H 3X>S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.3 5,-0.5 0.882 107.3 60.3 -52.3 -45.2 62.4 48.1 30.1 83 123 A Y H 3X5S+ 0 0 53 -4,-3.2 4,-1.6 1,-0.2 -1,-0.3 0.878 109.7 44.8 -51.3 -38.5 59.2 46.9 31.7 84 124 A S H X S+ 0 0 58 -4,-2.6 4,-2.1 2,-0.2 3,-0.7 0.994 110.9 39.3 -68.1 -59.5 60.8 54.3 43.7 93 133 A V H 3X S+ 0 0 19 -4,-1.8 4,-1.9 1,-0.3 -2,-0.2 0.913 119.6 49.4 -55.5 -39.0 58.8 57.4 43.2 94 134 A M H 3X S+ 0 0 48 -4,-3.2 4,-1.6 2,-0.2 -1,-0.3 0.742 112.5 46.0 -75.8 -23.8 55.8 55.7 44.9 95 135 A S H - 0 0 67 -2,-1.1 3,-1.3 1,-0.1 47,-0.2 0.496 32.6 -97.5 -15.9 139.5 55.9 63.5 59.1 105 145 A R T 3 S+ 0 0 7 1,-0.2 45,-0.2 45,-0.1 -1,-0.1 -0.513 111.0 18.8 -56.4 132.0 58.6 65.5 57.2 106 146 A D T 3 S- 0 0 1 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.421 83.4-167.3 81.1 4.7 61.4 66.2 59.7 107 147 A R < - 0 0 90 -3,-1.3 -1,-0.2 -4,-0.2 45,-0.1 0.212 12.3-159.9 -12.8 129.9 60.6 63.6 62.4 108 148 A a + 0 0 25 43,-0.1 -1,-0.1 112,-0.1 3,-0.1 0.628 45.1 131.4 -98.0 -20.8 62.5 64.3 65.5 109 149 A K - 0 0 55 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.068 66.6 -85.9 -43.6 141.8 62.2 60.7 66.9 110 150 A A 0 0 87 1,-0.1 -1,-0.1 50,-0.0 46,-0.0 0.158 360.0 360.0 -57.1 164.1 65.5 59.3 68.0 111 151 A R 0 0 118 45,-0.2 -1,-0.1 -3,-0.1 46,-0.1 0.726 360.0 360.0 -27.8 360.0 68.2 57.5 66.0 112 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 113 32 B F > 0 0 141 0, 0.0 4,-3.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -48.9 100.8 72.7 92.8 114 33 B M H > + 0 0 27 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.989 360.0 57.1 -62.1 -62.2 99.1 76.0 92.0 115 34 B E H > S+ 0 0 178 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.780 114.4 40.3 -33.9 -38.4 101.0 76.0 88.7 116 35 B E H > S+ 0 0 55 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.955 109.0 57.0 -74.2 -62.4 99.1 72.7 88.3 117 36 B F H X S+ 0 0 13 -4,-3.8 4,-2.0 2,-0.2 -2,-0.2 0.768 113.3 43.3 -38.5 -33.8 95.8 73.8 89.8 118 37 B F H X S+ 0 0 79 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.963 109.4 54.4 -77.4 -57.6 95.9 76.5 87.1 119 38 B E H X S+ 0 0 66 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.855 113.1 46.1 -37.7 -43.4 97.0 74.1 84.4 120 39 B Q H >X S+ 0 0 46 -4,-3.2 4,-2.4 1,-0.2 3,-1.3 0.968 112.0 49.8 -67.1 -50.7 93.9 72.1 85.4 121 40 B V H 3X S+ 0 0 3 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.826 103.1 58.9 -60.5 -31.0 91.6 75.1 85.5 122 41 B E H 3X S+ 0 0 116 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.765 113.1 41.9 -69.0 -25.7 92.7 76.3 82.0 123 42 B E H X S+ 0 0 22 -4,-2.1 4,-3.5 2,-0.2 3,-0.8 0.982 107.7 52.0 -68.6 -68.0 86.0 72.1 77.8 128 47 B I H 3X S+ 0 0 12 -4,-1.0 4,-0.6 1,-0.3 -2,-0.2 0.798 112.0 49.3 -31.7 -48.6 83.2 74.3 79.1 129 48 B D H 3X S+ 0 0 116 -4,-1.8 4,-2.6 2,-0.2 3,-0.5 0.926 116.6 40.8 -59.0 -50.3 84.0 76.5 76.1 130 49 B K H X S+ 0 0 35 -4,-0.6 4,-2.4 -3,-0.5 3,-1.0 0.889 104.2 59.8 -90.8 -63.8 79.2 75.3 74.6 133 52 B D H 3X S+ 0 0 118 -4,-2.6 4,-1.2 1,-0.3 -2,-0.2 0.790 109.5 49.4 -13.6 -48.7 80.4 75.7 71.1 134 53 B N H 3X S+ 0 0 42 -4,-2.3 4,-2.4 2,-0.2 -1,-0.3 0.874 103.5 55.7 -76.3 -40.5 78.6 72.4 70.6 135 54 B V H X S+ 0 0 44 -4,-1.0 3,-0.7 2,-0.2 4,-0.7 0.968 111.5 52.1 -67.3 -53.9 71.5 74.8 64.2 141 60 B K H 3X S+ 0 0 37 -4,-1.9 4,-2.1 1,-0.3 5,-0.3 0.893 107.2 54.6 -56.5 -40.6 70.9 71.1 63.7 142 61 B H H 3X S+ 0 0 12 -4,-2.9 4,-1.6 2,-0.2 -1,-0.3 0.907 118.3 37.1 -50.3 -46.3 67.7 71.3 65.7 143 62 B S H XX S+ 0 0 68 -4,-1.3 3,-1.4 -3,-0.7 4,-1.0 0.896 112.8 51.6 -69.9 -95.7 66.7 74.0 63.2 144 63 B D H 3X S+ 0 0 67 -4,-0.7 4,-2.0 1,-0.3 -3,-0.2 0.576 112.8 51.6 1.1 -64.8 68.1 72.7 59.9 145 64 B I H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.970 111.9 42.9 -44.2 -68.3 66.3 69.4 60.7 146 65 B L H << S+ 0 0 29 -4,-1.6 -2,-0.2 -3,-1.4 -1,-0.2 0.866 112.7 54.7 -57.6 -41.5 62.9 71.0 61.4 147 66 B S H < S+ 0 0 83 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.966 88.4 100.2 -47.8 -58.7 63.1 73.3 58.4 148 67 B A S < S- 0 0 12 -4,-2.0 3,-0.1 -5,-0.2 -3,-0.0 0.348 77.5-122.5 -43.1 159.7 63.8 70.6 55.8 149 68 B P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.763 95.3 16.3 -71.2 -34.0 61.3 69.1 53.3 150 69 B Q S S- 0 0 105 -45,-0.2 2,-0.2 -44,-0.1 -45,-0.1 -0.943 100.5 -80.0-133.3 164.5 61.9 65.6 54.6 151 70 B T - 0 0 51 -2,-0.3 2,-1.0 -47,-0.2 3,-0.1 -0.450 43.3-146.7 -64.4 124.6 63.5 64.0 57.6 152 71 B D > - 0 0 69 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 -0.752 10.5-167.3-101.5 88.9 67.3 64.2 56.9 153 72 B D H > S+ 0 0 74 -2,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.647 86.0 55.2 -55.4 -21.5 68.7 61.1 58.6 154 73 B Q H >> S+ 0 0 50 2,-0.2 3,-2.1 3,-0.2 4,-1.5 0.968 109.2 44.3 -69.9 -70.8 72.2 62.4 58.3 155 74 B M H 3> S+ 0 0 29 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.842 112.7 55.1 -34.0 -48.0 71.5 65.7 60.0 156 75 B K H 3X S+ 0 0 30 -4,-2.5 4,-1.7 2,-0.2 -1,-0.3 0.865 112.8 41.4 -59.2 -40.8 69.7 63.5 62.5 157 76 B E H X S+ 0 0 54 -4,-1.7 3,-1.9 2,-0.2 4,-1.2 0.988 109.6 46.0 -68.1 -65.3 76.9 63.0 67.7 162 81 B L H >X S+ 0 0 38 -4,-1.8 4,-1.9 1,-0.3 3,-0.9 0.938 110.1 55.0 -42.9 -58.2 77.0 66.6 69.0 163 82 B M H 3X S+ 0 0 43 -4,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.831 104.8 58.8 -44.0 -36.1 74.6 65.7 71.6 164 83 B T H S+ 0 0 74 -4,-1.2 4,-3.6 -3,-0.9 5,-1.0 0.961 111.5 58.2 -67.8 -53.8 80.2 65.1 73.3 166 85 B I H X5S+ 0 0 1 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.864 114.4 40.6 -38.3 -36.0 78.0 67.5 75.0 167 86 B K H X5S+ 0 0 52 -4,-1.0 4,-0.7 -5,-0.4 -1,-0.2 0.929 122.3 36.3 -81.0 -43.6 77.1 64.5 77.1 168 87 B R H X5S+ 0 0 181 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.696 120.6 43.8 -88.3 -22.9 80.6 62.9 77.6 169 88 B T H X5S+ 0 0 41 -4,-3.6 4,-2.2 2,-0.2 5,-0.3 0.833 108.4 57.2 -89.8 -42.8 82.7 66.0 77.9 170 89 B A H XX S+ 0 0 177 -4,-0.8 4,-1.7 -3,-0.2 3,-1.3 0.988 114.0 47.2 -59.4 -57.4 84.8 64.6 81.9 173 92 B V H 3X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.829 100.7 62.6 -52.7 -42.4 84.5 68.1 83.4 174 93 B R H 3X S+ 0 0 151 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.3 0.879 110.3 42.9 -58.9 -32.5 82.1 67.2 86.1 175 94 B G H XX S+ 0 0 35 -3,-1.3 4,-1.7 -4,-0.9 3,-1.0 0.954 105.8 57.0 -74.3 -54.8 84.8 64.9 87.5 176 95 B K H 3X S+ 0 0 44 -4,-1.7 4,-1.4 1,-0.3 -2,-0.2 0.779 108.4 54.3 -49.1 -27.8 87.9 67.3 87.1 177 96 B L H 3X S+ 0 0 15 -4,-1.9 4,-3.3 -5,-0.2 -1,-0.3 0.870 101.2 56.5 -70.2 -43.6 85.7 69.5 89.2 178 97 B K H < S+ 0 0 90 -4,-3.2 3,-0.7 -5,-0.3 -1,-0.2 0.802 111.0 52.2 -48.9 -36.4 91.0 69.0 97.6 184 103 B I H 3< S+ 0 0 61 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.868 103.6 58.3 -71.5 -35.0 89.5 72.3 98.6 185 104 B E T 3< 0 0 87 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.633 360.0 360.0 -67.1 -10.0 87.5 70.4 101.1 186 105 B Q < 0 0 123 -3,-0.7 -3,-0.1 -4,-0.5 -2,-0.1 0.289 360.0 360.0-126.4 360.0 90.9 69.2 102.5 187 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 188 113 B S > 0 0 119 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.2 95.7 81.1 103.1 189 114 B A H > + 0 0 74 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.898 360.0 51.3 -85.0 -66.3 95.7 83.3 100.0 190 115 B D H > S+ 0 0 94 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.747 112.6 52.1 -40.6 -32.0 96.5 80.7 97.4 191 116 B L H >> S+ 0 0 37 2,-0.2 4,-2.5 1,-0.1 3,-1.1 0.990 106.8 47.6 -66.6 -65.6 93.6 78.8 99.0 192 117 B R H 3X S+ 0 0 60 -4,-1.0 4,-1.1 1,-0.3 -2,-0.2 0.799 108.0 60.6 -46.9 -34.8 91.0 81.5 98.8 193 118 B I H 3X S+ 0 0 72 -4,-2.4 4,-3.1 2,-0.2 3,-0.3 0.936 109.8 39.3 -53.5 -53.8 92.1 81.9 95.2 194 119 B R H X S+ 0 0 41 -4,-3.1 4,-2.2 2,-0.2 3,-0.5 0.905 113.6 47.4 -32.3 -61.1 88.5 80.0 90.6 198 123 B Y H 3X S+ 0 0 72 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.970 107.8 53.4 -43.8 -72.1 86.5 76.8 91.2 199 124 B S H 3X S+ 0 0 69 -4,-1.1 4,-1.4 -5,-0.4 -1,-0.2 0.715 111.9 47.1 -39.7 -37.1 83.3 78.7 92.1 200 125 B T H XX S+ 0 0 66 -4,-2.3 4,-2.8 -3,-0.5 3,-0.7 0.993 114.4 44.2 -63.8 -69.9 83.6 80.7 88.8 201 126 B I H 3X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.819 110.3 57.2 -38.6 -46.8 84.3 77.6 86.6 202 127 B S H 3X S+ 0 0 20 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.903 112.1 40.2 -61.1 -45.5 81.5 75.8 88.4 203 128 B R H X S+ 0 0 12 -4,-1.6 4,-1.2 1,-0.2 3,-0.6 0.932 119.5 37.7 -52.3 -49.7 76.4 76.1 79.5 209 134 B M H 3X S+ 0 0 35 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.838 114.3 54.0 -75.0 -34.8 74.5 73.0 80.4 210 135 B S H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.534 113.5 43.8 -78.6 -8.2 71.5 74.9 81.8 211 136 B D H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 3,-0.7 0.931 102.3 57.0 -64.7 -47.1 66.9 74.8 77.2 215 140 B T H 3< S+ 0 0 23 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.930 108.8 47.3 -45.4 -48.3 68.0 74.1 73.6 216 141 B Q H 3X S+ 0 0 61 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.691 112.8 45.7 -75.7 -23.5 66.6 70.6 74.0 217 142 B I H S+ 0 0 26 -5,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.780 106.1 48.6-106.3 -40.6 63.3 71.6 70.4 220 145 B R H X S+ 0 0 50 -4,-1.2 4,-3.0 3,-0.2 -2,-0.2 0.858 118.3 48.4 -60.3 -30.6 60.8 69.0 71.7 221 146 B D H X S+ 0 0 104 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.999 111.3 41.9 -74.4 -70.0 58.5 72.1 71.7 222 147 B R H < S+ 0 0 55 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.725 122.7 49.0 -44.7 -22.8 59.1 73.6 68.2 223 148 B a H >X S+ 0 0 23 -4,-1.1 3,-1.9 2,-0.2 4,-0.8 0.948 106.6 47.0 -89.2 -58.8 59.0 70.0 67.1 224 149 B K H 3X S+ 0 0 48 -4,-3.0 4,-1.0 1,-0.3 5,-0.2 0.748 94.2 82.5 -57.8 -23.2 55.9 68.6 68.7 225 150 B A H 3X S+ 0 0 54 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.880 96.3 44.0 -39.2 -44.8 54.2 71.8 67.4 226 151 B R H <> S+ 0 0 13 -3,-1.9 4,-2.1 -4,-0.3 5,-0.3 0.871 99.8 63.4 -77.8 -44.0 54.0 69.8 64.2 227 152 B I H < S+ 0 0 40 -4,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.638 116.0 37.9 -60.2 -10.3 52.8 66.4 65.6 228 153 B K H >< S+ 0 0 154 -4,-1.0 3,-0.5 -3,-0.4 -2,-0.2 0.808 112.4 51.5-101.9 -50.7 49.7 68.5 66.6 229 154 B R H 3< S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.637 106.8 60.1 -60.6 -11.4 49.3 70.9 63.6 230 155 B Q T 3< 0 0 35 -4,-2.1 -1,-0.3 -5,-0.1 -3,-0.2 0.875 360.0 360.0 -75.3 -45.3 49.5 67.6 61.7 231 156 B M < 0 0 180 -3,-0.5 -3,-0.1 -5,-0.3 -2,-0.1 0.656 360.0 360.0 -70.1 360.0 46.4 66.7 63.7