==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-APR-11 3ROP . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHANG,H.C.LEE,Q.HAO . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 40 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 0 4 0 0 2 2 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 0 2 2 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 . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 45 A R 0 0 197 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.5 12.8 -16.9 63.1 2 46 A W + 0 0 211 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.434 360.0 60.4 -82.3 -2.9 14.0 -14.6 65.8 3 47 A R S S- 0 0 177 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.995 71.1-148.6-136.4 128.7 14.3 -11.8 63.2 4 48 A Q - 0 0 120 -2,-0.4 125,-0.0 1,-0.1 -2,-0.0 -0.687 14.8-137.3 -95.5 146.3 11.7 -10.2 60.9 5 49 A T S S+ 0 0 105 -2,-0.3 2,-0.2 123,-0.1 -1,-0.1 0.891 84.2 38.0 -68.4 -38.5 12.6 -8.9 57.5 6 50 A W - 0 0 46 2,-0.2 -2,-0.1 1,-0.1 4,-0.1 -0.635 69.1-132.7-119.5 168.7 10.5 -5.7 57.8 7 51 A S S S+ 0 0 73 -2,-0.2 3,-0.1 121,-0.1 -1,-0.1 0.626 80.7 77.5 -95.7 -19.3 9.6 -3.1 60.5 8 52 A G E S-A 129 0A 4 121,-1.5 121,-1.5 1,-0.1 -2,-0.2 -0.490 94.9 -82.4 -89.1 162.6 5.8 -3.0 60.0 9 53 A P E -A 128 0A 100 0, 0.0 119,-0.2 0, 0.0 -1,-0.1 -0.306 52.5-116.8 -57.9 148.6 3.2 -5.5 61.2 10 54 A G - 0 0 15 117,-0.7 116,-0.2 116,-0.3 119,-0.2 -0.066 49.3 -50.7 -81.2-177.4 2.8 -8.5 58.9 11 55 A T - 0 0 9 114,-2.4 104,-0.3 117,-0.2 -1,-0.2 -0.182 66.0-101.3 -55.5 143.6 -0.2 -9.6 56.9 12 56 A T > - 0 0 43 102,-2.5 3,-1.2 1,-0.1 -1,-0.1 -0.420 47.8 -96.2 -65.2 140.9 -3.5 -9.9 58.8 13 57 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.285 107.3 10.8 -63.1 144.6 -4.3 -13.4 59.8 14 58 A R T 3> S+ 0 0 147 -3,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.802 81.9 160.7 56.0 33.9 -6.7 -15.3 57.4 15 59 A F H <> + 0 0 0 -3,-1.2 4,-2.5 1,-0.2 5,-0.3 0.895 67.4 49.6 -53.4 -50.0 -6.3 -12.4 54.9 16 60 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.923 114.0 45.3 -57.5 -46.2 -7.4 -14.4 51.9 17 61 A E H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.838 113.3 51.2 -65.0 -34.4 -10.6 -15.6 53.6 18 62 A T H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.890 110.1 46.6 -72.4 -44.4 -11.3 -12.1 55.1 19 63 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.931 115.2 48.4 -62.2 -44.7 -11.1 -10.3 51.8 20 64 A L H X S+ 0 0 48 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.939 112.9 46.8 -60.1 -46.8 -13.2 -12.9 50.1 21 65 A A H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.869 111.8 50.5 -66.8 -38.4 -15.9 -12.8 52.9 22 66 A R H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.853 110.2 50.5 -64.9 -37.9 -16.0 -9.0 52.9 23 67 A a H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.885 110.9 49.1 -67.2 -41.6 -16.5 -9.0 49.1 24 68 A V H X S+ 0 0 58 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.951 113.2 46.5 -59.9 -51.3 -19.3 -11.5 49.5 25 69 A K H X S+ 0 0 112 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.899 114.6 46.6 -59.5 -45.3 -21.0 -9.4 52.2 26 70 A Y H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 7,-0.2 0.920 111.0 50.2 -64.8 -45.2 -20.7 -6.2 50.2 27 71 A T H < S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.700 111.7 50.3 -71.7 -17.8 -21.9 -7.6 46.9 28 72 A E H < S+ 0 0 154 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.784 116.2 40.0 -83.4 -32.0 -25.0 -9.0 48.7 29 73 A I H < S+ 0 0 101 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.874 109.2 60.0 -84.3 -42.0 -25.9 -5.8 50.5 30 74 A H S >< S- 0 0 42 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.2 -0.809 71.4-158.3 -97.6 108.0 -25.2 -3.3 47.7 31 75 A P G > S+ 0 0 79 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.724 87.0 62.3 -65.3 -26.3 -27.4 -4.2 44.7 32 76 A E G 3 S+ 0 0 87 1,-0.2 3,-0.4 2,-0.1 -5,-0.1 0.737 100.6 56.5 -67.8 -22.1 -25.3 -2.4 42.0 33 77 A M G X S+ 0 0 2 -3,-1.8 3,-1.3 -7,-0.2 -1,-0.2 0.243 72.4 107.1 -94.6 12.7 -22.4 -4.8 42.9 34 78 A R T < S+ 0 0 199 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.832 74.2 58.1 -56.7 -37.7 -24.5 -8.0 42.2 35 79 A H T 3 S+ 0 0 148 -3,-0.4 -1,-0.2 -4,-0.2 2,-0.1 0.633 81.6 112.0 -69.6 -15.6 -22.6 -8.7 39.0 36 80 A V < - 0 0 19 -3,-1.3 2,-0.7 -9,-0.1 3,-0.1 -0.377 62.3-143.1 -67.4 132.3 -19.2 -8.8 40.8 37 81 A D > - 0 0 95 1,-0.2 4,-2.2 -2,-0.1 3,-0.2 -0.880 9.9-160.8 -96.4 109.7 -17.4 -12.2 40.9 38 82 A a H > S+ 0 0 17 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.861 89.2 53.4 -65.6 -38.6 -15.8 -12.3 44.4 39 83 A Q H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.884 110.0 49.8 -60.6 -39.9 -13.3 -15.1 43.5 40 84 A S H > S+ 0 0 44 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.913 108.9 51.8 -64.4 -43.4 -12.2 -13.0 40.5 41 85 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.947 111.4 47.1 -58.0 -47.3 -11.8 -9.9 42.7 42 86 A W H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.912 110.0 52.5 -62.9 -42.7 -9.6 -11.9 45.1 43 87 A D H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.898 111.4 47.3 -58.2 -42.0 -7.6 -13.3 42.2 44 88 A A H X S+ 0 0 15 -4,-2.5 4,-0.9 2,-0.2 21,-0.4 0.852 111.2 51.0 -65.2 -39.4 -7.0 -9.7 41.0 45 89 A F H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.2 3,-0.4 0.913 112.1 47.4 -64.0 -44.6 -6.1 -8.6 44.5 46 90 A K H >X S+ 0 0 79 -4,-2.8 4,-3.1 1,-0.2 3,-1.2 0.911 106.6 56.5 -62.2 -45.7 -3.5 -11.5 44.8 47 91 A G H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.718 96.7 65.3 -63.6 -23.8 -2.0 -10.8 41.5 48 92 A A H 3< S+ 0 0 0 -4,-0.9 10,-0.3 -3,-0.4 -1,-0.3 0.825 124.8 5.7 -65.1 -33.9 -1.2 -7.2 42.4 49 93 A F H X< S+ 0 0 0 -3,-1.2 3,-1.4 -4,-0.6 68,-0.3 0.589 94.1 108.5-131.8 -17.9 1.3 -8.3 45.2 50 94 A I T 3< S+ 0 0 31 -4,-3.1 72,-0.1 1,-0.2 3,-0.1 -0.486 96.4 7.2 -66.8 137.0 2.0 -12.1 45.3 51 95 A S T 3 S+ 0 0 57 70,-0.6 69,-0.9 67,-0.4 2,-0.3 0.470 107.1 117.3 70.0 4.9 5.5 -13.0 44.1 52 96 A K S < S- 0 0 67 -3,-1.4 -1,-0.3 67,-0.2 65,-0.2 -0.775 79.1-103.4-102.3 144.9 6.3 -9.3 43.9 53 97 A H > - 0 0 78 -2,-0.3 3,-2.4 3,-0.2 65,-0.1 -0.551 31.9-133.2 -60.9 125.5 9.0 -7.6 45.9 54 98 A P T 3 S+ 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.405 104.5 51.9 -70.7 2.2 7.0 -5.7 48.6 55 99 A b T 3 S+ 0 0 29 84,-0.2 83,-0.3 1,-0.1 84,-0.1 0.227 103.7 59.4-112.4 6.9 9.1 -2.6 48.0 56 100 A D < + 0 0 99 -3,-2.4 2,-0.3 81,-0.1 -3,-0.2 -0.161 69.4 140.3-127.7 40.9 8.5 -2.6 44.3 57 101 A I - 0 0 1 81,-2.5 2,-0.3 -3,-0.1 -8,-0.1 -0.663 31.7-160.8 -88.3 144.3 4.7 -2.4 44.0 58 102 A T >> - 0 0 24 -2,-0.3 3,-0.7 -10,-0.3 4,-0.7 -0.838 31.3-119.7-122.9 153.8 3.2 -0.2 41.3 59 103 A E G >4 S+ 0 0 38 -2,-0.3 3,-1.3 1,-0.2 4,-0.2 0.893 117.0 60.1 -59.5 -38.1 -0.3 1.4 40.7 60 104 A E G >4 S+ 0 0 89 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.802 92.6 66.5 -57.7 -31.9 -0.4 -0.6 37.5 61 105 A D G <4 S+ 0 0 32 -3,-0.7 -1,-0.3 1,-0.3 4,-0.3 0.834 103.8 46.0 -55.5 -33.2 -0.1 -3.8 39.7 62 106 A Y G S+ 0 0 60 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.887 79.8 50.3 -64.2 -43.6 -5.2 -2.2 37.7 64 108 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.907 113.9 47.5 -60.3 -38.9 -7.0 -5.5 37.3 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.2 -4,-0.3 -2,-0.2 0.918 110.2 51.2 -65.4 -45.6 -8.4 -5.1 40.8 66 110 A M H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.889 110.6 50.6 -55.9 -41.7 -9.5 -1.4 40.2 67 111 A K H >< S+ 0 0 125 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.925 112.0 44.9 -66.5 -44.4 -11.3 -2.6 37.0 68 112 A L H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 114.9 49.7 -67.2 -32.3 -13.2 -5.4 38.8 69 113 A G T 3< S+ 0 0 5 -4,-2.2 37,-0.4 -5,-0.2 -1,-0.2 0.100 77.8 145.2 -95.9 21.2 -14.1 -3.0 41.7 70 114 A T < + 0 0 85 -3,-1.2 2,-0.3 -5,-0.1 -3,-0.1 -0.373 24.1 174.2 -56.9 133.1 -15.3 -0.3 39.4 71 115 A Q - 0 0 38 -2,-0.1 2,-0.8 2,-0.0 -2,-0.1 -0.987 34.1-132.0-150.7 134.0 -18.2 1.4 41.2 72 116 A T - 0 0 133 -2,-0.3 -40,-0.1 -40,-0.0 -2,-0.0 -0.789 28.7-171.0 -87.8 113.9 -20.3 4.5 40.5 73 117 A V - 0 0 17 -2,-0.8 2,-0.4 79,-0.1 5,-0.1 -0.849 39.5 -97.0-102.9 140.1 -20.5 6.5 43.6 74 118 A P > - 0 0 56 0, 0.0 3,-1.8 0, 0.0 25,-0.2 -0.473 38.8-147.6 -59.6 114.4 -22.9 9.5 43.9 75 119 A c T 3 S+ 0 0 47 -2,-0.4 82,-2.4 1,-0.3 3,-0.5 0.739 89.8 50.0 -66.6 -28.0 -20.4 12.2 43.0 76 120 A N T 3 S+ 0 0 68 1,-0.2 -1,-0.3 80,-0.2 83,-0.2 0.303 101.2 65.4 -91.3 5.5 -21.9 15.0 45.1 77 121 A K < + 0 0 67 -3,-1.8 22,-2.6 83,-0.1 2,-0.4 -0.036 68.3 134.8-120.5 30.2 -22.1 12.9 48.3 78 122 A I B -b 99 0B 1 -3,-0.5 83,-1.9 81,-0.3 2,-0.6 -0.658 34.9-164.9 -88.4 129.6 -18.5 12.3 49.0 79 123 A L E -c 161 0C 0 20,-2.6 22,-0.4 -2,-0.4 83,-0.2 -0.954 6.3-171.4-109.7 111.8 -17.1 12.7 52.5 80 124 A L E -c 162 0C 4 81,-3.3 83,-2.4 -2,-0.6 2,-0.3 -0.567 9.4-173.6 -86.0 163.8 -13.3 12.9 52.8 81 125 A W E -c 163 0C 50 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.983 15.2-154.5-154.1 155.9 -11.8 12.8 56.2 82 126 A S E S-c 164 0C 6 81,-2.2 83,-0.7 -2,-0.3 -2,-0.0 -0.968 73.4 -22.2-140.2 120.7 -8.3 13.2 57.7 83 127 A R S S+ 0 0 89 -2,-0.4 81,-0.1 81,-0.1 3,-0.1 0.708 113.8 88.9 60.6 25.8 -7.1 11.7 61.0 84 128 A I > + 0 0 21 79,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.405 45.2 152.5-146.9 55.9 -10.7 11.4 62.4 85 129 A K H > + 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 66.1 51.3 -59.8 -50.0 -11.6 7.9 61.1 86 130 A D H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.934 111.9 43.4 -62.5 -49.7 -14.1 6.8 63.8 87 131 A L H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 111.4 55.0 -64.4 -40.2 -16.3 9.9 63.7 88 132 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.904 113.4 42.2 -60.6 -39.4 -16.3 10.0 59.9 89 133 A H H X S+ 0 0 24 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.868 110.2 54.8 -78.6 -34.7 -17.5 6.4 59.7 90 134 A Q H X S+ 0 0 88 -4,-2.7 4,-0.9 -5,-0.2 -2,-0.2 0.897 109.0 52.4 -57.7 -39.0 -20.1 6.8 62.6 91 135 A F H >X S+ 0 0 12 -4,-2.3 4,-3.5 1,-0.2 3,-0.7 0.946 111.9 42.0 -65.3 -48.4 -21.4 9.6 60.5 92 136 A T H 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.707 107.1 61.6 -77.2 -17.0 -21.8 7.6 57.3 93 137 A Q H 3< S+ 0 0 111 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.756 118.8 30.1 -72.0 -23.8 -23.2 4.6 59.1 94 138 A V H << S+ 0 0 55 -4,-0.9 2,-1.3 -3,-0.7 -2,-0.2 0.827 120.0 51.7 -97.9 -48.7 -26.1 6.9 60.2 95 139 A Q S >< S- 0 0 71 -4,-3.5 3,-1.2 -5,-0.2 -1,-0.2 -0.733 73.4-178.9 -91.7 89.6 -26.2 9.2 57.2 96 140 A R T 3 + 0 0 145 -2,-1.3 -1,-0.2 1,-0.3 -4,-0.1 0.540 68.7 66.5 -76.7 -11.3 -26.4 6.5 54.6 97 141 A D T 3 S+ 0 0 59 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.702 91.2 76.3 -80.0 -19.7 -26.5 8.7 51.4 98 142 A M < - 0 0 19 -3,-1.2 2,-0.4 -7,-0.1 -20,-0.2 -0.686 69.1-154.1 -96.7 147.9 -22.9 10.0 52.1 99 143 A F B -b 78 0B 39 -22,-2.6 -20,-2.6 -2,-0.3 2,-0.2 -0.968 12.6-166.6-130.5 129.2 -19.9 7.9 51.3 100 144 A T > - 0 0 0 -2,-0.4 3,-1.9 -22,-0.2 4,-0.3 -0.609 46.5-100.0 -92.7 170.4 -16.3 7.7 52.6 101 145 A L G > S+ 0 0 10 -22,-0.4 3,-1.9 1,-0.3 6,-0.5 0.902 124.5 58.9 -55.3 -39.0 -13.7 5.7 50.7 102 146 A E G 3 S+ 0 0 16 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.582 95.8 63.4 -72.3 -7.3 -14.2 2.9 53.2 103 147 A D G < S+ 0 0 26 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.438 88.3 86.7 -91.3 -4.5 -17.8 2.7 52.2 104 148 A T S <> S- 0 0 13 -3,-1.9 4,-2.8 -4,-0.3 5,-0.2 -0.538 94.7-107.7 -85.9 162.3 -16.8 1.7 48.6 105 149 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 117.9 42.8 -55.8 -55.0 -16.2 -1.9 47.7 106 150 A L H > S+ 0 0 13 -37,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.895 116.7 47.5 -65.0 -40.2 -12.4 -1.6 47.4 107 151 A G H > S+ 0 0 0 -6,-0.5 4,-1.5 1,-0.2 -5,-0.2 0.913 112.6 49.7 -62.7 -41.3 -12.1 0.5 50.5 108 152 A Y H < S+ 0 0 65 -4,-2.8 -2,-0.2 -7,-0.3 -1,-0.2 0.884 108.2 53.3 -65.8 -42.3 -14.3 -1.8 52.5 109 153 A L H < S+ 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.906 119.0 34.3 -56.8 -43.3 -12.3 -4.9 51.4 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.3 -5,-0.2 -2,-0.2 0.591 81.7 131.2 -94.6 -12.3 -9.0 -3.4 52.6 111 155 A D T 3< S- 0 0 30 -4,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.170 87.1 -7.4 -53.7 123.7 -10.1 -1.3 55.7 112 156 A D T 3 S+ 0 0 113 1,-0.2 -1,-0.3 -100,-0.0 2,-0.3 0.565 107.2 123.9 68.3 12.1 -7.8 -2.0 58.7 113 157 A L < - 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0 0 43 2,-0.0 2,-0.7 33,-0.0 -38,-0.1 -0.962 31.6-147.1-156.3 130.7 6.5 27.3 15.5 325 116 B T + 0 0 138 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.913 22.0 176.5 -99.8 113.9 5.7 25.7 12.2 326 117 B V - 0 0 17 -2,-0.7 2,-0.3 26,-0.0 5,-0.1 -0.808 54.4 -75.5-105.2 158.2 8.1 23.0 11.3 327 118 B P > - 0 0 59 0, 0.0 3,-2.1 0, 0.0 25,-0.2 -0.376 43.8-148.5 -58.7 116.9 7.4 21.0 8.1 328 119 B i T 3 S+ 0 0 45 1,-0.3 82,-2.6 -2,-0.3 3,-0.5 0.694 94.1 56.7 -62.9 -20.9 4.6 18.7 9.3 329 120 B N T 3 S+ 0 0 68 1,-0.2 -1,-0.3 80,-0.2 83,-0.2 0.338 99.0 62.5 -89.9 6.2 5.7 15.9 7.0 330 121 B K S < S+ 0 0 67 -3,-2.1 22,-2.4 81,-0.1 2,-0.3 -0.039 70.7 134.2-123.1 29.8 9.2 15.8 8.5 331 122 B I B -h 352 0F 0 -3,-0.5 83,-1.8 81,-0.3 2,-0.5 -0.640 35.1-164.2 -90.6 134.6 8.5 14.8 12.1 332 123 B L E -i 414 0G 0 20,-2.8 22,-0.4 -2,-0.3 2,-0.2 -0.977 6.7-169.4-115.6 113.6 10.4 12.1 13.9 333 124 B L E -i 415 0G 2 81,-3.4 83,-2.2 -2,-0.5 2,-0.3 -0.592 9.6-174.6 -86.7 159.9 8.8 10.8 17.1 334 125 B W E -i 416 0G 51 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.981 16.6-153.5-149.3 161.8 10.9 8.5 19.4 335 126 B S E S-i 417 0G 6 81,-2.0 83,-0.8 -2,-0.3 -2,-0.0 -0.932 73.9 -25.7-144.1 120.1 10.4 6.5 22.5 336 127 B R S S+ 0 0 110 -2,-0.4 3,-0.1 81,-0.1 81,-0.1 0.618 113.8 89.3 58.8 20.3 13.1 5.6 25.1 337 128 B I > + 0 0 24 79,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.419 46.0 151.8-140.2 58.6 15.9 5.9 22.5 338 129 B K H > + 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 62.5 55.1 -61.7 -49.5 16.7 9.6 22.9 339 130 B D H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 110.7 43.0 -57.1 -50.4 20.4 9.7 21.9 340 131 B L H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 111.2 55.1 -66.6 -39.1 20.0 8.0 18.5 341 132 B A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.931 113.1 42.3 -59.3 -44.7 17.0 10.0 17.6 342 133 B H H X S+ 0 0 35 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.899 111.6 53.9 -71.3 -39.8 18.9 13.3 18.2 343 134 B Q H X S+ 0 0 93 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.895 108.7 52.4 -57.7 -38.7 22.1 12.0 16.5 344 135 B F H >X S+ 0 0 5 -4,-2.4 4,-3.3 1,-0.2 3,-0.9 0.947 110.9 43.5 -62.9 -51.4 19.9 11.3 13.4 345 136 B T H 3< S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 105.8 64.1 -71.6 -22.8 18.3 14.8 13.2 346 137 B Q H 3< S+ 0 0 106 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.806 117.4 27.7 -65.8 -29.9 21.7 16.4 13.8 347 138 B V H << S+ 0 0 52 -4,-0.9 2,-1.3 -3,-0.9 -2,-0.2 0.816 120.4 53.8 -97.1 -44.0 22.9 14.9 10.6 348 139 B Q S >< S- 0 0 77 -4,-3.3 3,-1.5 -5,-0.2 -1,-0.2 -0.722 76.3-176.9 -92.9 87.4 19.6 14.7 8.7 349 140 B R T 3 + 0 0 151 -2,-1.3 -1,-0.2 1,-0.3 -4,-0.1 0.516 68.6 62.6 -76.9 -8.4 18.8 18.4 9.2 350 141 B D T 3 S+ 0 0 73 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.536 89.1 84.0 -91.9 -7.6 15.4 18.6 7.6 351 142 B M < - 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