==== 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 HYDROLASE 02-JUN-05 1ZVM . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.SHI,T.YANG,S.C.ALMO,V.L.SCHRAMM,A.SAUVE . 1009 4 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 655 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 69 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 4 0 7 1 0 4 5 3 4 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 0 0 4 4 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 . 3 4 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 . 4 0 4 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 46 A W 0 0 252 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.7 87.8 2.5 -21.5 2 47 A R + 0 0 86 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.332 360.0 169.8 -62.9 134.7 86.7 2.9 -17.9 3 48 A Q + 0 0 179 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.656 67.6 5.4-111.4 -33.8 83.0 2.2 -17.2 4 49 A Q S S- 0 0 113 122,-0.0 -1,-0.4 124,-0.0 2,-0.1 -0.972 70.6-114.6-149.0 160.2 83.0 2.2 -13.3 5 50 A W - 0 0 36 -2,-0.3 4,-0.1 2,-0.2 123,-0.0 -0.407 28.7-121.4 -88.4 173.9 85.3 3.0 -10.5 6 51 A S S S+ 0 0 69 -2,-0.1 -1,-0.1 124,-0.1 121,-0.0 0.609 83.7 72.5 -94.0 -12.8 86.4 0.3 -8.1 7 52 A G E S-A 128 0A 10 121,-1.3 121,-1.0 1,-0.2 -2,-0.2 -0.499 92.8 -78.3-101.0 171.6 85.1 1.8 -4.8 8 53 A P E -A 127 0A 101 0, 0.0 120,-0.3 0, 0.0 119,-0.2 -0.238 53.8-108.0 -61.3 152.2 81.6 2.3 -3.3 9 54 A G - 0 0 15 117,-0.6 116,-0.3 116,-0.4 119,-0.2 -0.123 53.8 -58.1 -75.8 177.6 79.6 5.2 -4.6 10 55 A T S S- 0 0 6 114,-2.2 104,-0.3 117,-0.3 -1,-0.2 -0.279 70.5 -93.5 -56.3 137.9 78.9 8.5 -2.8 11 56 A T > - 0 0 24 102,-2.8 3,-1.2 1,-0.1 2,-0.3 -0.211 47.4-102.6 -53.4 143.6 77.1 7.9 0.5 12 57 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 -0.569 108.1 14.0 -73.7 129.8 73.3 8.1 0.1 13 58 A R T 3> S+ 0 0 48 -2,-0.3 4,-2.5 -3,-0.1 -1,-0.3 0.843 80.6 155.1 73.7 35.4 72.0 11.4 1.4 14 59 A F H <> + 0 0 0 -3,-1.2 4,-2.1 1,-0.2 5,-0.2 0.875 70.0 50.4 -62.5 -37.7 75.5 12.7 1.5 15 60 A P H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.932 113.4 44.1 -67.6 -42.3 74.3 16.3 1.1 16 61 A E H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.858 113.6 51.4 -68.7 -38.0 71.7 16.0 4.0 17 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.919 111.8 45.7 -67.3 -43.5 74.2 14.2 6.2 18 63 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.946 117.1 43.8 -66.0 -46.2 76.9 16.8 5.8 19 64 A L H X S+ 0 0 8 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.946 116.1 48.1 -63.2 -47.9 74.5 19.7 6.3 20 65 A A H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.937 110.6 49.9 -58.2 -51.3 72.8 18.0 9.3 21 66 A R H X S+ 0 0 31 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.898 109.0 52.7 -56.1 -43.1 76.1 17.1 11.0 22 67 A a H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.903 111.3 47.4 -60.0 -40.4 77.4 20.7 10.7 23 68 A V H X S+ 0 0 26 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.960 114.1 46.1 -65.6 -48.9 74.2 21.9 12.3 24 69 A K H X S+ 0 0 75 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.875 114.1 49.2 -61.0 -39.2 74.5 19.3 15.1 25 70 A Y H X S+ 0 0 8 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.942 108.9 50.0 -68.5 -47.1 78.1 20.1 15.7 26 71 A T H < S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.716 111.4 51.0 -65.3 -19.1 77.8 23.8 15.8 27 72 A E H < S+ 0 0 83 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.883 111.8 45.4 -83.0 -40.1 75.0 23.4 18.4 28 73 A I H < S+ 0 0 92 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.859 117.1 47.0 -68.6 -37.3 77.0 21.1 20.6 29 74 A H S >< S- 0 0 48 -4,-2.6 3,-2.5 -5,-0.2 -1,-0.3 -0.804 70.0-170.4-110.4 89.8 80.0 23.3 20.4 30 75 A P G > S+ 0 0 93 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.748 80.6 72.1 -47.3 -30.5 78.8 26.9 21.0 31 76 A E G 3 S+ 0 0 98 1,-0.3 3,-0.4 2,-0.1 -5,-0.1 0.736 96.1 49.6 -61.0 -25.4 82.2 28.2 20.0 32 77 A M G X S+ 0 0 0 -3,-2.5 3,-2.9 -6,-0.2 -1,-0.3 0.335 75.0 115.7 -95.9 6.3 81.5 27.3 16.3 33 78 A R T < + 0 0 218 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.740 65.2 66.8 -45.0 -31.8 78.1 29.1 16.4 34 79 A H T 3 S+ 0 0 137 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.3 0.537 76.8 112.3 -70.2 -9.0 79.4 31.6 13.8 35 80 A V < - 0 0 16 -3,-2.9 2,-1.0 -13,-0.1 3,-0.1 -0.514 61.4-146.8 -73.0 129.3 79.5 28.9 11.2 36 81 A D > - 0 0 98 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 -0.832 12.3-164.2 -94.4 102.8 77.1 29.2 8.3 37 82 A a H > S+ 0 0 12 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.822 84.4 56.3 -62.1 -33.0 76.4 25.5 7.6 38 83 A Q H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 108.8 50.3 -64.5 -37.9 74.8 26.0 4.1 39 84 A S H > S+ 0 0 37 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.865 107.3 53.7 -64.9 -38.9 78.0 27.8 3.2 40 85 A V H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.975 110.0 47.1 -59.6 -53.4 80.1 24.9 4.5 41 86 A W H X S+ 0 0 22 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.946 111.2 51.6 -52.4 -52.5 78.2 22.5 2.3 42 87 A D H X S+ 0 0 66 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.869 112.1 46.3 -53.4 -40.2 78.5 24.7 -0.7 43 88 A A H X S+ 0 0 15 -4,-2.2 4,-0.8 2,-0.2 21,-0.4 0.870 113.6 49.0 -70.5 -37.7 82.3 25.0 -0.2 44 89 A F H >X S+ 0 0 0 -4,-2.6 3,-1.0 2,-0.2 4,-0.6 0.967 115.4 42.8 -64.2 -56.0 82.5 21.2 0.3 45 90 A K H >X S+ 0 0 61 -4,-3.2 4,-2.5 1,-0.3 3,-1.4 0.914 108.9 59.1 -57.3 -45.7 80.5 20.4 -2.8 46 91 A G H 3< S+ 0 0 37 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.773 95.5 67.6 -57.2 -24.1 82.3 23.1 -4.8 47 92 A A H << S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.8 10,-0.2 0.817 119.9 8.6 -68.0 -31.8 85.5 21.2 -4.0 48 93 A F H X< S+ 0 0 0 -3,-1.4 3,-1.4 -4,-0.6 68,-0.4 0.618 92.9 108.7-127.5 -16.9 84.7 18.1 -6.1 49 94 A I T 3< S+ 0 0 36 -4,-2.5 72,-0.1 1,-0.2 3,-0.1 -0.345 89.4 13.3 -68.1 147.4 81.6 18.5 -8.3 50 95 A S T 3 S+ 0 0 60 67,-0.5 2,-0.4 72,-0.4 -1,-0.2 0.632 108.1 111.1 65.6 13.3 82.1 18.9 -12.1 51 96 A K S < S- 0 0 68 -3,-1.4 65,-0.3 66,-0.1 -1,-0.2 -0.919 81.0-104.4-119.7 146.0 85.6 17.7 -11.5 52 97 A H > - 0 0 59 -2,-0.4 3,-2.4 65,-0.2 2,-0.4 -0.545 32.4-129.8 -68.6 123.0 87.3 14.5 -12.6 53 98 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.228 103.3 56.0 -60.4 14.9 87.6 12.4 -9.4 54 99 A b T 3 S+ 0 0 22 -2,-0.4 83,-0.3 84,-0.2 84,-0.2 0.249 99.8 57.6-128.5 7.1 91.2 11.7 -10.0 55 100 A D < + 0 0 109 -3,-2.4 2,-0.3 81,-0.1 83,-0.1 -0.062 69.5 135.8-127.4 31.5 92.5 15.3 -10.3 56 101 A I - 0 0 1 81,-2.1 2,-0.3 -5,-0.1 -8,-0.1 -0.605 31.3-172.5 -80.7 141.7 91.4 16.7 -6.9 57 102 A T > - 0 0 70 -2,-0.3 4,-0.6 -10,-0.2 3,-0.4 -0.796 39.1-103.3-126.9 172.8 94.0 18.8 -5.2 58 103 A E T >4 S+ 0 0 62 -2,-0.3 3,-1.2 1,-0.2 4,-0.5 0.854 118.3 62.6 -66.4 -33.2 94.3 20.5 -1.7 59 104 A E G >4 S+ 0 0 141 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.879 92.4 66.5 -57.9 -36.4 93.4 23.9 -3.2 60 105 A D G 34 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.849 105.7 42.3 -52.1 -35.4 90.1 22.4 -4.1 61 106 A Y G S+ 0 0 56 -3,-1.8 4,-2.6 -4,-0.5 -1,-0.2 0.892 81.7 49.8 -53.4 -48.6 90.8 25.5 0.6 63 108 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 113.0 47.0 -61.6 -35.9 87.4 27.2 0.7 64 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.909 111.2 51.9 -70.7 -39.5 86.0 24.5 3.0 65 110 A M H < S+ 0 0 2 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.920 109.0 51.9 -61.0 -42.0 89.1 24.6 5.2 66 111 A K H >< S+ 0 0 118 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.952 112.8 42.5 -60.5 -51.2 88.6 28.4 5.5 67 112 A L H 3< S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.788 116.7 48.9 -66.6 -28.8 85.0 28.1 6.6 68 113 A G T 3< S+ 0 0 2 -4,-2.1 37,-0.4 -5,-0.2 -1,-0.2 0.243 75.0 143.5 -98.4 13.4 85.7 25.2 8.9 69 114 A T < + 0 0 67 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.1 -0.286 24.3 176.8 -53.8 129.8 88.7 26.7 10.7 70 115 A Q - 0 0 34 2,-0.0 2,-0.7 410,-0.0 -2,-0.1 -0.999 28.4-133.6-142.2 137.5 88.6 25.6 14.4 71 116 A T - 0 0 7 -2,-0.4 411,-0.0 403,-0.0 401,-0.0 -0.821 25.3-171.6 -94.0 118.3 91.1 26.2 17.2 72 117 A V - 0 0 16 -2,-0.7 2,-0.2 79,-0.1 403,-0.1 -0.922 38.6 -98.8-111.0 133.3 91.7 23.1 19.1 73 118 A P > - 0 0 14 0, 0.0 3,-2.1 0, 0.0 25,-0.2 -0.308 37.0-145.6 -50.1 111.1 93.8 23.1 22.4 74 119 A c T 3 S+ 0 0 3 398,-0.3 82,-2.8 1,-0.3 3,-0.4 0.591 93.5 55.5 -63.4 -11.9 97.1 22.0 21.0 75 120 A N T 3 S+ 0 0 55 1,-0.2 -1,-0.3 80,-0.2 83,-0.1 0.261 98.1 67.2-102.1 12.4 98.2 20.0 24.0 76 121 A K S < S+ 0 0 56 -3,-2.1 22,-3.1 -4,-0.1 2,-0.4 -0.017 71.2 131.6-118.5 28.0 95.0 17.9 23.8 77 122 A I B -b 98 0B 3 -3,-0.4 83,-1.9 81,-0.3 2,-0.5 -0.679 33.0-172.8 -92.8 135.0 95.6 16.0 20.6 78 123 A L E -c 160 0C 0 20,-2.9 22,-0.3 -2,-0.4 2,-0.3 -0.973 7.1-171.4-124.4 110.9 95.2 12.3 20.1 79 124 A L E -c 161 0C 1 81,-3.4 83,-2.1 -2,-0.5 2,-0.3 -0.660 9.6-173.6 -94.8 157.6 96.4 11.0 16.7 80 125 A W E -c 162 0C 52 81,-0.3 2,-0.4 -2,-0.3 83,-0.2 -0.987 17.4-153.2-150.8 156.3 95.6 7.4 15.8 81 126 A S E S-c 163 0C 11 81,-2.0 83,-0.7 -2,-0.3 -2,-0.0 -0.935 75.4 -22.9-139.3 113.8 96.4 4.9 13.1 82 127 A R S S+ 0 0 105 -2,-0.4 81,-0.1 81,-0.1 -1,-0.0 0.808 115.8 83.4 60.3 38.8 94.2 2.0 12.2 83 128 A I >> + 0 0 22 79,-0.1 4,-1.8 80,-0.0 3,-0.6 -0.109 44.2 149.8-160.4 43.1 92.4 1.8 15.5 84 129 A K H 3> + 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.835 64.7 61.2 -51.3 -46.0 89.6 4.4 15.2 85 130 A D H 3> S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 109.0 41.9 -54.5 -42.9 87.0 2.7 17.4 86 131 A L H <> S+ 0 0 18 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.911 112.8 53.5 -72.8 -40.2 89.2 2.8 20.5 87 132 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.913 112.5 45.4 -60.0 -40.4 90.5 6.4 19.8 88 133 A H H X S+ 0 0 32 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.825 111.7 50.1 -72.8 -33.6 86.9 7.6 19.5 89 134 A Q H X S+ 0 0 104 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.870 109.3 54.9 -70.6 -34.8 85.7 5.8 22.7 90 135 A F H >X S+ 0 0 8 -4,-2.4 4,-3.4 1,-0.2 3,-0.7 0.931 109.2 44.3 -63.6 -47.7 88.6 7.3 24.5 91 136 A T H 3< S+ 0 0 4 -4,-1.8 6,-0.3 1,-0.2 -1,-0.2 0.769 105.3 63.2 -71.5 -21.6 87.8 10.9 23.6 92 137 A Q H 3< S+ 0 0 121 -4,-1.2 3,-0.3 -5,-0.1 -1,-0.2 0.777 116.2 31.7 -70.3 -24.1 84.1 10.2 24.4 93 138 A V H << S+ 0 0 47 -4,-0.9 2,-1.6 -3,-0.7 -2,-0.2 0.861 121.8 47.5 -95.7 -50.6 85.2 9.6 28.0 94 139 A Q S >< S+ 0 0 69 -4,-3.4 3,-2.1 1,-0.2 -1,-0.2 -0.594 77.0 177.0 -91.2 73.2 88.2 12.0 28.1 95 140 A R T 3 + 0 0 199 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.1 0.612 66.9 66.8 -56.2 -19.5 86.2 14.8 26.6 96 141 A D T 3 S+ 0 0 67 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.469 91.7 79.2 -82.9 -1.2 88.9 17.4 26.8 97 142 A M < - 0 0 20 -3,-2.1 2,-0.4 -6,-0.3 -20,-0.2 -0.819 68.1-149.2-108.8 150.4 91.0 15.5 24.3 98 143 A F B -b 77 0B 31 -22,-3.1 -20,-2.9 -2,-0.3 2,-0.3 -0.938 14.5-169.3-125.4 142.8 90.5 15.5 20.5 99 144 A T > - 0 0 0 -2,-0.4 3,-2.2 -22,-0.2 4,-0.3 -0.689 51.0 -96.1-108.8 168.7 91.0 13.2 17.5 100 145 A L G > S+ 0 0 8 -22,-0.3 3,-1.5 1,-0.3 6,-0.6 0.880 126.2 56.7 -52.9 -40.5 90.7 14.6 14.0 101 146 A E G 3 S+ 0 0 14 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.445 93.9 66.4 -74.7 -0.6 87.1 13.4 13.9 102 147 A D G < S+ 0 0 30 -3,-2.2 -1,-0.3 4,-0.1 2,-0.2 0.427 87.5 84.4 -96.5 -3.7 86.2 15.4 17.0 103 148 A T S <> S- 0 0 10 -3,-1.5 4,-2.7 -4,-0.3 5,-0.3 -0.660 96.6-107.8 -93.0 155.7 86.8 18.6 15.0 104 149 A L H > S+ 0 0 0 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 117.4 45.8 -47.0 -59.5 83.9 20.0 12.9 105 150 A L H > S+ 0 0 12 -37,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.858 115.2 46.3 -55.9 -40.6 85.5 19.1 9.6 106 151 A G H > S+ 0 0 0 -6,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.872 111.8 51.6 -71.7 -35.7 86.5 15.6 10.6 107 152 A Y H < S+ 0 0 82 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.2 0.883 106.1 55.6 -67.5 -38.8 83.1 15.0 12.1 108 153 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.897 117.9 32.3 -59.1 -42.6 81.4 16.1 8.9 109 154 A A H >< S+ 0 0 0 -4,-1.4 3,-2.2 -5,-0.2 -1,-0.2 0.621 82.4 127.8 -93.8 -17.7 83.3 13.6 6.8 110 155 A D T 3< S- 0 0 27 -4,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.130 85.9 -1.3 -47.6 127.7 83.8 10.6 9.1 111 156 A D T 3 S+ 0 0 117 1,-0.2 2,-0.3 -100,-0.0 -1,-0.3 0.526 108.3 117.8 69.1 7.1 82.6 7.3 7.5 112 157 A L < - 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0 0 12 0, 0.0 2,-0.5 0, 0.0 11,-0.2 -0.145 37.6-133.0 -53.6 139.7 87.6 6.0 -7.2 130 175 A D >> - 0 0 52 1,-0.1 4,-3.1 -123,-0.1 5,-1.3 -0.850 16.4-131.7 -93.7 126.2 89.4 3.5 -4.9 131 176 A W T 45S+ 0 0 151 -2,-0.5 -1,-0.1 1,-0.2 6,-0.1 0.817 101.6 30.3 -45.2 -44.6 92.7 5.1 -3.7 132 177 A R T 45S+ 0 0 203 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.910 127.0 37.7 -86.0 -48.7 94.8 2.0 -4.5 133 178 A K T 45S+ 0 0 152 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.795 131.2 19.5 -77.7 -29.9 93.1 0.5 -7.5 134 179 A D T <5S- 0 0 27 -4,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.863 120.6 -40.4-105.6 -64.9 92.0 3.7 -9.3 135 180 A b < - 0 0 25 -5,-1.3 3,-0.4 1,-0.1 -1,-0.2 -0.925 34.2-133.4-168.7 145.2 93.9 6.9 -8.3 136 181 A S S S+ 0 0 58 -2,-0.3 2,-1.2 1,-0.2 -5,-0.1 0.822 95.3 68.4 -75.1 -31.5 95.3 8.5 -5.2 137 182 A N + 0 0 67 -83,-0.3 -81,-2.1 4,-0.1 -1,-0.2 -0.213 69.9 139.1 -89.0 52.4 94.0 12.0 -5.8 138 183 A N > - 0 0 5 -2,-1.2 4,-2.2 -3,-0.4 5,-0.3 -0.486 68.9-100.2 -88.0 160.4 90.3 11.2 -5.4 139 184 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -24,-0.1 0.856 119.8 44.6 -46.1 -47.1 87.9 13.5 -3.5 140 185 A V H > S+ 0 0 31 -26,-0.4 4,-2.0 2,-0.2 5,-0.2 0.934 113.5 46.0 -68.2 -51.3 88.0 11.4 -0.3 141 186 A S H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 113.1 50.1 -62.9 -35.9 91.7 10.8 0.0 142 187 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.874 108.1 54.0 -73.0 -35.3 92.7 14.4 -0.7 143 188 A F H X S+ 0 0 1 -4,-1.4 4,-2.9 -5,-0.3 5,-0.3 0.983 113.3 40.5 -60.5 -56.2 90.2 15.7 1.9 144 189 A W H X S+ 0 0 49 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.864 114.2 53.2 -62.3 -35.9 91.7 13.5 4.7 145 190 A K H X S+ 0 0 61 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.915 113.3 45.6 -64.1 -41.3 95.2 14.2 3.6 146 191 A T H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.928 116.8 40.5 -69.9 -46.9 94.5 17.9 3.7 147 192 A V H X S+ 0 0 7 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.809 112.1 56.7 -74.6 -26.6 92.7 18.0 7.1 148 193 A S H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.915 105.1 52.6 -68.3 -40.6 95.2 15.5 8.7 149 194 A R H X S+ 0 0 70 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.942 110.6 46.9 -57.6 -51.2 98.1 17.8 7.8 150 195 A R H X S+ 0 0 90 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.863 112.2 50.7 -58.9 -41.3 96.5 20.8 9.4 151 196 A F H X S+ 0 0 15 -4,-1.9 4,-0.8 2,-0.2 3,-0.5 0.920 113.9 41.6 -65.4 -48.8 95.6 18.9 12.6 152 197 A A H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 34,-0.3 0.899 111.2 58.9 -64.7 -42.0 99.1 17.4 13.2 153 198 A E H 3< S+ 0 0 35 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.721 104.5 50.5 -59.1 -26.8 100.6 20.8 12.3 154 199 A A H 3< S+ 0 0 33 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.679 86.6 112.6 -87.7 -18.9 98.6 22.5 15.1 155 200 A A << + 0 0 0 -3,-0.9 31,-0.3 -4,-0.8 2,-0.3 -0.154 42.7 175.0 -55.9 146.0 99.7 19.9 17.7 156 201 A c + 0 0 2 -82,-2.8 34,-0.3 2,-0.2 -79,-0.3 -0.929 42.2 2.3-146.6 169.9 102.0 21.1 20.6 157 202 A D E S+ d 0 190C 24 32,-3.3 35,-2.2 -2,-0.3 34,-2.1 -0.315 122.1 8.1 54.9-114.9 103.7 20.0 23.8 158 203 A V E S- d 0 192C 50 -2,-0.2 2,-0.4 33,-0.2 -81,-0.3 -0.884 72.4-173.2-101.8 118.2 102.8 16.3 24.4 159 204 A V E - d 0 193C 0 33,-2.9 35,-2.9 -2,-0.6 2,-0.3 -0.916 8.5-152.4-110.5 136.7 101.1 14.6 21.5 160 205 A H E -cd 78 194C 31 -83,-1.9 -81,-3.4 -2,-0.4 2,-0.4 -0.823 8.2-167.5-110.8 148.7 99.7 11.1 21.8 161 206 A V E -cd 79 195C 0 33,-2.1 35,-3.0 -2,-0.3 2,-0.4 -0.992 12.3-145.1-136.9 129.6 99.1 8.5 19.1 162 207 A M E -cd 80 196C 0 -83,-2.1 -81,-2.0 -2,-0.4 2,-0.3 -0.769 21.3-174.6 -92.6 131.8 97.2 5.2 19.4 163 208 A L E -cd 81 197C 0 33,-2.5 35,-3.1 -2,-0.4 2,-0.9 -0.965 28.6-118.6-130.3 146.4 98.5 2.2 17.5 164 209 A D E > - d 0 198C 34 -83,-0.7 3,-1.5 6,-0.4 35,-0.1 -0.730 20.4-165.9 -86.0 104.0 97.2 -1.3 16.9 165 210 A G T 3 S+ 0 0 10 33,-2.5 -1,-0.1 -2,-0.9 5,-0.1 0.361 80.6 67.8 -72.3 6.7 99.7 -3.8 18.4 166 211 A S T 3 S+ 0 0 74 32,-0.2 -1,-0.3 33,-0.1 2,-0.2 0.407 79.9 95.0-105.0 -0.7 98.1 -6.7 16.7 167 212 A R S < S- 0 0 117 -3,-1.5 3,-0.4 1,-0.1 4,-0.1 -0.562 84.9-118.4 -89.7 156.4 99.1 -5.7 13.1 168 213 A S S S+ 0 0 116 1,-0.3 2,-0.4 -2,-0.2 3,-0.1 0.782 115.2 36.9 -64.4 -25.1 102.2 -6.9 11.3 169 214 A K - 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0 0 42 2,-0.0 2,-0.5 -38,-0.0 -2,-0.1 -1.000 29.1-138.9-142.3 138.8 86.3 52.9 33.9 324 116 B T - 0 0 133 -2,-0.4 -40,-0.0 -40,-0.0 -2,-0.0 -0.871 26.8-178.7 -99.4 128.2 83.8 50.6 32.2 325 117 B V - 0 0 24 -2,-0.5 2,-1.0 82,-0.1 5,-0.1 -0.916 46.1 -86.2-125.1 149.8 84.3 50.1 28.5 326 118 B P > - 0 0 61 0, 0.0 3,-2.8 0, 0.0 25,-0.2 -0.391 42.2-154.3 -56.9 99.5 82.3 48.0 26.0 327 119 B i T 3 S+ 0 0 46 -2,-1.0 82,-2.8 1,-0.3 3,-0.4 0.671 89.8 55.9 -53.0 -16.5 84.2 44.8 26.8 328 120 B N T 3 S+ 0 0 72 80,-0.2 -1,-0.3 1,-0.2 83,-0.2 0.295 97.3 62.2-100.3 8.0 83.3 43.5 23.3 329 121 B K S < S+ 0 0 66 -3,-2.8 22,-2.0 81,-0.0 2,-0.3 0.034 71.6 136.9-120.4 26.6 84.8 46.5 21.4 330 122 B I B -h 351 0F 3 -3,-0.4 83,-1.8 81,-0.3 2,-0.5 -0.561 31.8-171.1 -81.6 135.1 88.4 46.2 22.4 331 123 B L E -i 413 0G 0 20,-3.0 22,-0.3 -2,-0.3 83,-0.2 -0.918 9.6-170.2-126.2 103.3 91.2 46.6 19.9 332 124 B L E -i 414 0G 2 81,-3.4 83,-2.3 -2,-0.5 2,-0.3 -0.432 6.4-170.6 -85.6 164.3 94.6 45.6 21.3 333 125 B W E -i 415 0G 52 81,-0.3 2,-0.4 -2,-0.1 83,-0.2 -0.990 18.5-152.5-154.7 159.5 97.8 46.3 19.4 334 126 B S E S-i 416 0G 13 81,-1.7 83,-0.6 -2,-0.3 -2,-0.0 -0.953 77.7 -26.2-140.2 116.3 101.5 45.6 19.5 335 127 B R S S+ 0 0 119 -2,-0.4 81,-0.1 81,-0.1 -1,-0.0 0.819 115.8 87.1 49.8 41.3 104.1 48.0 18.0 336 128 B I > + 0 0 24 79,-0.1 4,-1.1 80,-0.0 3,-0.2 -0.128 42.3 145.6-158.4 47.0 101.7 49.6 15.5 337 129 B K H > + 0 0 36 1,-0.2 4,-3.4 2,-0.2 3,-0.4 0.875 64.5 59.0 -56.3 -50.0 100.1 52.4 17.5 338 130 B D H > S+ 0 0 118 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.905 111.1 41.2 -51.5 -48.1 99.6 55.0 14.7 339 131 B L H > S+ 0 0 20 -3,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.740 116.7 52.0 -73.3 -21.7 97.5 52.7 12.6 340 132 B A H X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.4 -2,-0.2 0.901 110.7 44.6 -78.7 -45.0 95.7 51.5 15.7 341 133 B H H < S+ 0 0 36 -4,-3.4 4,-0.4 2,-0.2 -2,-0.2 0.835 113.5 51.8 -67.9 -35.1 94.8 55.0 17.0 342 134 B Q H >X S+ 0 0 94 -4,-1.7 3,-2.4 -5,-0.4 4,-2.1 0.975 107.2 52.5 -64.8 -53.9 93.7 56.1 13.5 343 135 B F H 3X S+ 0 0 5 -4,-1.6 4,-2.7 1,-0.3 -2,-0.2 0.847 107.9 51.8 -49.5 -39.7 91.5 53.1 13.2 344 136 B T H 3< S+ 0 0 6 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.591 107.2 53.6 -77.3 -7.7 89.8 54.0 16.5 345 137 B Q H <4 S+ 0 0 104 -3,-2.4 3,-0.4 -4,-0.4 -2,-0.2 0.838 117.2 36.0 -89.0 -39.5 89.2 57.5 15.2 346 138 B V H < S+ 0 0 43 -4,-2.1 2,-2.4 1,-0.3 -2,-0.2 0.981 121.5 45.2 -73.2 -63.5 87.5 56.3 12.1 347 139 B Q S >< S- 0 0 62 -4,-2.7 3,-2.1 -5,-0.2 -1,-0.3 -0.451 79.8-178.4 -78.8 66.7 85.7 53.3 13.7 348 140 B R T 3 + 0 0 205 -2,-2.4 -1,-0.2 -3,-0.4 -4,-0.1 0.416 67.9 68.1 -53.3 3.1 84.7 55.5 16.7 349 141 B D T 3 S+ 0 0 63 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.698 85.5 76.0 -96.9 -20.3 83.0 52.6 18.5 350 142 B M < - 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