==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-09 3GC6 . COMPND 2 MOLECULE: ECTO-NAD+ GLYCOHYDROLASE (CD38 MOLECULE); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.F.EGEA,H.MULLER-STEFFNER,R.M.STROUD,N.OPPENHEIMER,E.KELLEN . 479 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 25 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.1 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 1 4 0 0 0 0 2 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 36 A Y 0 0 201 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.3 13.2 -14.8 53.5 2 37 A S + 0 0 102 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.093 360.0 115.3-140.1 26.2 13.2 -15.1 49.6 3 38 A G S > S- 0 0 24 1,-0.0 3,-1.6 2,-0.0 4,-0.1 0.149 83.0 -67.0 -89.7-160.0 9.5 -14.5 48.7 4 39 A L T 3 S+ 0 0 65 1,-0.3 3,-0.4 2,-0.1 125,-0.4 0.713 127.8 55.2 -65.4 -21.3 7.5 -11.9 46.7 5 40 A N T 3 S+ 0 0 101 1,-0.2 -1,-0.3 123,-0.1 125,-0.1 0.217 75.3 106.2 -96.6 16.7 8.1 -9.2 49.2 6 41 A R < + 0 0 71 -3,-1.6 -1,-0.2 123,-0.1 -2,-0.1 0.649 59.0 88.0 -72.5 -18.0 11.9 -9.5 49.1 7 42 A W S S- 0 0 42 -3,-0.4 4,-0.1 -4,-0.1 123,-0.0 -0.418 71.2-137.7 -84.5 162.4 12.5 -6.3 47.1 8 43 A H S S+ 0 0 117 -2,-0.1 2,-0.2 124,-0.1 -1,-0.1 0.556 78.1 79.6 -93.1 -11.1 13.0 -2.8 48.4 9 44 A G E S-A 130 0A 14 121,-1.6 121,-1.5 1,-0.1 123,-0.1 -0.553 91.8 -85.6 -96.9 163.5 10.8 -1.0 45.8 10 45 A A E -A 129 0A 59 119,-0.2 119,-0.2 -2,-0.2 -1,-0.1 -0.286 52.2-102.5 -63.0 148.8 7.0 -0.6 45.7 11 46 A G - 0 0 17 117,-0.6 116,-0.3 116,-0.3 119,-0.2 -0.097 49.5 -68.7 -66.8 168.0 5.1 -3.4 44.0 12 47 A S - 0 0 7 114,-2.6 104,-0.2 117,-0.3 -1,-0.2 -0.207 60.3 -93.1 -55.2 145.3 3.6 -3.4 40.6 13 48 A T > - 0 0 38 102,-2.2 3,-1.1 -3,-0.1 -1,-0.1 -0.411 49.3-107.8 -57.3 130.4 0.6 -1.1 39.9 14 49 A A T 3 S+ 0 0 62 1,-0.2 5,-0.1 -2,-0.1 -1,-0.1 -0.354 100.6 11.6 -62.3 142.7 -2.6 -3.1 40.5 15 50 A D T >> S+ 0 0 108 1,-0.1 4,-2.2 3,-0.1 3,-0.6 0.824 77.4 162.6 58.1 35.2 -4.5 -4.0 37.3 16 51 A F H <> + 0 0 0 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.875 69.7 55.5 -49.3 -44.1 -1.5 -2.9 35.2 17 52 A Q H 3> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 108.2 47.2 -64.3 -37.0 -2.9 -4.8 32.2 18 53 A K H <> S+ 0 0 105 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.908 112.4 50.4 -67.2 -42.7 -6.2 -2.9 32.3 19 54 A I H X S+ 0 0 33 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 110.5 48.3 -63.6 -46.6 -4.4 0.4 32.7 20 55 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.953 113.6 48.2 -54.7 -50.6 -2.2 -0.3 29.7 21 56 A Q H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.928 113.7 45.4 -56.8 -52.4 -5.1 -1.3 27.5 22 57 A E H X S+ 0 0 90 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.916 113.8 49.0 -63.1 -44.6 -7.2 1.7 28.5 23 58 A R H X S+ 0 0 73 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.886 108.8 53.5 -63.6 -37.7 -4.4 4.1 28.0 24 59 A a H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.942 111.1 45.1 -65.2 -44.1 -3.5 2.7 24.6 25 60 A D H X S+ 0 0 56 -4,-2.2 4,-1.8 2,-0.2 5,-0.4 0.932 114.9 48.9 -62.8 -45.8 -7.1 3.1 23.3 26 61 A T H X>S+ 0 0 55 -4,-2.5 4,-2.2 -5,-0.2 5,-1.9 0.947 114.9 44.9 -57.6 -47.8 -7.2 6.6 24.7 27 62 A Y H <>S+ 0 0 19 -4,-3.0 5,-3.1 1,-0.2 4,-0.4 0.958 116.5 41.9 -62.8 -50.9 -3.9 7.6 23.2 28 63 A T H <5S+ 0 0 24 -4,-2.7 7,-0.2 -5,-0.2 -1,-0.2 0.719 127.0 30.5 -73.0 -25.3 -4.4 6.1 19.7 29 64 A Q H <5S+ 0 0 129 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.673 134.6 15.5-107.0 -25.0 -8.0 7.2 19.3 30 65 A T T <5S+ 0 0 99 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.673 125.4 41.2-127.6 -27.8 -8.5 10.4 21.2 31 66 A I T - 0 0 97 -2,-0.3 4,-2.3 31,-0.2 5,-0.2 -0.788 22.6-170.8 -95.8 103.0 -2.6 -2.5 17.4 40 75 A a H > S+ 0 0 12 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.809 83.5 55.1 -67.4 -31.3 -3.2 -2.0 21.1 41 76 A Q H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 111.6 45.4 -61.4 -47.5 -3.8 -5.7 21.9 42 77 A A H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.880 111.7 52.2 -63.6 -41.3 -0.5 -6.5 20.3 43 78 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.938 111.7 45.8 -60.2 -47.3 1.2 -3.6 22.2 44 79 A R H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.941 113.5 49.3 -60.5 -46.8 -0.2 -4.8 25.6 45 80 A Q H X S+ 0 0 99 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.917 112.7 47.5 -62.0 -41.4 0.8 -8.4 24.8 46 81 A A H X S+ 0 0 20 -4,-2.7 4,-1.9 2,-0.2 21,-0.2 0.865 109.9 53.3 -65.2 -39.8 4.4 -7.4 23.8 47 82 A F H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 5,-0.2 0.960 113.5 42.6 -60.4 -50.5 4.7 -5.2 26.9 48 83 A M H >X S+ 0 0 27 -4,-2.5 4,-2.9 1,-0.2 3,-1.1 0.930 112.2 53.9 -61.0 -44.6 3.8 -8.1 29.2 49 84 A S H 3< S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 97.1 67.5 -59.6 -34.1 5.9 -10.6 27.3 50 85 A A H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.837 123.0 6.9 -57.2 -36.2 9.0 -8.3 27.7 51 86 A F H X< S+ 0 0 1 -3,-1.1 3,-1.8 -4,-0.7 67,-0.3 0.616 91.6 117.7-123.5 -22.8 9.1 -8.9 31.5 52 87 A I T 3< S+ 0 0 30 -4,-2.9 71,-0.1 1,-0.3 3,-0.1 -0.307 89.5 1.3 -63.2 134.8 6.7 -11.5 32.7 53 88 A S T 3 S+ 0 0 55 71,-0.4 68,-0.7 69,-0.3 -1,-0.3 0.499 104.9 121.5 71.6 10.7 8.1 -14.7 34.3 54 89 A K S < S- 0 0 72 -3,-1.8 -1,-0.2 66,-0.2 64,-0.2 -0.622 80.3 -83.9-102.5 160.9 11.7 -13.4 33.9 55 90 A D > - 0 0 68 -2,-0.2 3,-1.9 1,-0.2 64,-0.1 -0.469 40.5-144.1 -58.0 115.6 14.4 -12.7 36.4 56 91 A P T 3 S+ 0 0 2 0, 0.0 85,-0.6 0, 0.0 3,-0.2 0.587 96.0 50.5 -70.0 -6.9 13.4 -9.2 37.6 57 92 A b T 3 S+ 0 0 26 83,-0.2 82,-0.3 1,-0.1 83,-0.1 0.162 98.6 66.5-111.6 16.1 17.1 -8.1 38.0 58 93 A K < + 0 0 140 -3,-1.9 82,-0.2 79,-0.1 -1,-0.1 0.017 64.7 147.4-121.6 30.3 18.3 -9.3 34.6 59 94 A A - 0 0 4 80,-2.3 2,-0.3 -3,-0.2 -8,-0.1 -0.382 25.0-169.9 -62.5 139.0 16.4 -6.9 32.3 60 95 A T > - 0 0 58 1,-0.1 3,-1.1 -2,-0.1 4,-0.4 -0.923 35.2-116.3-124.2 157.7 18.2 -5.9 29.1 61 96 A K G > S+ 0 0 47 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 0.892 114.8 62.4 -52.4 -39.4 17.4 -3.2 26.5 62 97 A E G > S+ 0 0 44 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.762 87.1 71.0 -63.8 -28.0 16.9 -6.0 23.9 63 98 A D G < S+ 0 0 46 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.762 103.0 44.5 -56.1 -24.0 14.0 -7.4 26.0 64 99 A Y G <> S+ 0 0 0 -3,-2.0 4,-2.8 -4,-0.4 5,-0.3 0.424 81.8 99.5-103.8 1.4 12.0 -4.3 24.8 65 100 A N H <> S+ 0 0 5 -3,-1.3 4,-2.4 -4,-0.3 -1,-0.1 0.916 84.4 48.3 -56.0 -44.9 13.0 -4.3 21.1 66 101 A S H > S+ 0 0 54 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.866 112.7 48.2 -64.9 -37.5 9.7 -6.0 20.0 67 102 A L H >> S+ 0 0 2 -21,-0.2 4,-0.9 -4,-0.2 3,-0.6 0.938 112.4 48.4 -65.2 -47.9 7.6 -3.5 22.1 68 103 A I H >< S+ 0 0 1 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.896 105.9 59.0 -63.0 -37.1 9.4 -0.5 20.7 69 104 A N H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.815 102.8 53.4 -59.8 -31.0 9.1 -1.8 17.2 70 105 A L H << S+ 0 0 66 -4,-1.0 -1,-0.3 -3,-0.6 -31,-0.2 0.732 132.5 6.7 -76.6 -22.0 5.3 -1.8 17.6 71 106 A A S << S- 0 0 4 -3,-0.9 36,-0.4 -4,-0.9 -1,-0.2 -0.465 77.5-160.5-160.8 74.4 5.3 1.9 18.7 72 107 A P - 0 0 34 0, 0.0 2,-2.0 0, 0.0 34,-0.3 -0.340 28.7-118.0 -65.2 146.0 8.6 3.7 18.4 73 108 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 83,-0.2 -0.358 59.9 150.6 -83.2 63.5 8.9 6.9 20.6 74 109 A T - 0 0 52 -2,-2.0 79,-0.1 81,-0.0 83,-0.1 -0.790 27.4-164.6-100.6 133.1 9.4 9.1 17.5 75 110 A V - 0 0 0 -2,-0.4 83,-0.2 78,-0.2 5,-0.2 -0.924 31.1 -96.5-119.2 142.3 8.3 12.8 17.6 76 111 A P > - 0 0 56 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.168 56.6 -80.5 -54.9 149.3 7.9 15.0 14.5 77 112 A c T 3 S+ 0 0 41 1,-0.3 82,-0.2 2,-0.1 84,-0.1 -0.205 115.4 12.3 -51.4 132.7 10.7 17.3 13.7 78 113 A G T 3 S+ 0 0 23 80,-1.9 -1,-0.3 82,-0.2 81,-0.1 0.394 108.6 86.3 84.2 -3.5 10.8 20.5 15.8 79 114 A Q < + 0 0 78 -3,-2.2 21,-3.2 79,-0.1 2,-0.4 0.368 58.8 114.4-109.7 5.3 8.2 19.2 18.3 80 115 A Q B -b 100 0B 2 80,-0.5 82,-2.0 78,-0.3 2,-0.4 -0.647 41.2-169.3 -93.9 135.2 10.3 17.3 20.8 81 116 A V E -c 162 0C 0 19,-2.5 21,-0.4 -2,-0.4 2,-0.3 -0.968 3.2-169.9-120.5 132.7 10.9 18.3 24.5 82 117 A F E +c 163 0C 1 80,-3.1 82,-2.2 -2,-0.4 2,-0.3 -0.780 13.2 179.7-109.5 158.3 13.4 16.9 27.0 83 118 A W E -c 164 0C 50 -2,-0.3 2,-0.3 80,-0.2 82,-0.2 -0.992 17.3-168.4-156.4 157.7 13.3 17.7 30.7 84 119 A S E S-c 165 0C 6 80,-1.7 82,-0.5 -2,-0.3 -2,-0.0 -0.897 78.1 -9.7-155.0 122.2 15.1 17.0 33.9 85 120 A K S S+ 0 0 88 -2,-0.3 3,-0.1 80,-0.1 80,-0.1 0.593 114.2 87.6 68.2 16.1 14.0 17.8 37.4 86 121 A T > + 0 0 10 78,-0.2 4,-3.2 1,-0.1 5,-0.4 -0.179 44.1 147.1-134.2 39.1 11.1 19.9 36.0 87 122 A K H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.877 73.5 40.8 -50.3 -54.1 8.4 17.3 35.5 88 123 A E H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.949 119.6 43.6 -64.2 -47.0 5.3 19.5 36.2 89 124 A L H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.919 112.0 52.8 -64.8 -44.1 6.6 22.6 34.3 90 125 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.892 111.4 46.1 -62.4 -38.6 7.9 20.7 31.3 91 126 A H H X S+ 0 0 18 -4,-1.8 4,-2.6 -5,-0.4 -1,-0.2 0.902 111.6 51.1 -75.9 -34.6 4.5 18.9 30.8 92 127 A E H X S+ 0 0 74 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.945 112.3 48.1 -61.5 -46.5 2.6 22.1 31.2 93 128 A Y H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.940 111.6 48.8 -59.1 -47.6 4.8 23.7 28.6 94 129 A A H X>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.2 4,-0.7 0.906 112.8 49.0 -61.3 -39.7 4.4 20.8 26.2 95 130 A K H ><5S+ 0 0 111 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.943 113.2 45.0 -63.5 -48.7 0.7 20.9 26.7 96 131 A R H 3<5S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 121.1 39.5 -65.5 -32.8 0.3 24.6 26.1 97 132 A R H 3<5S- 0 0 96 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.406 106.8-121.1 -99.5 2.0 2.7 24.5 23.1 98 133 A R T <<5 + 0 0 174 -3,-0.8 2,-0.2 -4,-0.7 -3,-0.2 0.925 66.9 138.6 52.9 46.9 1.4 21.2 21.6 99 134 A L < - 0 0 19 -5,-2.6 2,-0.5 -6,-0.2 -19,-0.2 -0.595 49.5-118.2-106.4 175.0 4.9 19.7 21.8 100 135 A M B -b 80 0B 14 -21,-3.2 -19,-2.5 -2,-0.2 2,-0.1 -0.957 19.7-170.5-128.3 121.3 5.8 16.2 23.0 101 136 A T > - 0 0 0 -2,-0.5 3,-1.9 -21,-0.2 4,-0.2 -0.400 50.5 -92.2 -82.1 177.4 7.9 14.9 25.9 102 137 A L G > S+ 0 0 4 -21,-0.4 3,-1.5 1,-0.3 6,-0.4 0.859 129.8 57.6 -58.6 -36.9 8.9 11.3 26.3 103 138 A E G 3 S+ 0 0 17 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.500 98.3 61.4 -76.1 -1.2 5.7 10.8 28.3 104 139 A D G < S+ 0 0 26 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.367 83.7 93.9-102.8 -2.1 3.7 12.0 25.4 105 140 A T S <> S- 0 0 2 -3,-1.5 4,-2.7 -4,-0.2 5,-0.2 -0.483 94.3-104.5 -75.8 165.7 4.8 9.2 23.1 106 141 A L H > S+ 0 0 15 -34,-0.3 4,-2.5 1,-0.2 5,-0.2 0.970 121.3 39.2 -56.9 -53.4 2.5 6.2 22.9 107 142 A L H > S+ 0 0 0 -36,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.865 115.7 51.6 -67.6 -39.6 4.8 4.0 25.1 108 143 A G H > S+ 0 0 0 -6,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.876 110.6 50.6 -61.9 -39.0 5.7 6.8 27.4 109 144 A Y H < S+ 0 0 66 -4,-2.7 -2,-0.2 -7,-0.2 -1,-0.2 0.916 109.5 49.5 -65.8 -43.7 2.0 7.6 27.9 110 145 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.918 120.0 36.2 -57.9 -44.2 1.2 4.0 28.7 111 146 A A H >< S+ 0 0 0 -4,-2.0 3,-2.5 -5,-0.2 -1,-0.2 0.649 81.1 125.2 -90.9 -15.6 3.9 3.6 31.3 112 147 A D T 3< S- 0 0 51 -4,-1.7 3,-0.1 1,-0.3 -4,-0.0 -0.186 88.0 -0.9 -56.4 127.0 4.0 7.1 32.9 113 148 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.357 106.2 120.6 79.3 -5.2 3.6 6.7 36.7 114 149 A L < - 0 0 10 -3,-2.5 2,-0.3 -101,-0.1 -1,-0.3 -0.490 47.6-152.3 -93.1 162.7 3.3 3.0 36.7 115 150 A R + 0 0 116 -2,-0.2 -102,-2.2 -3,-0.1 2,-0.3 -0.960 20.5 166.9-125.5 145.3 5.4 0.2 38.3 116 151 A W + 0 0 3 -2,-0.3 26,-0.3 -104,-0.2 2,-0.3 -0.977 10.1 148.2-159.7 150.3 5.8 -3.3 37.1 117 152 A d - 0 0 2 -2,-0.3 9,-2.6 24,-0.1 2,-0.2 -0.925 24.3-141.3-166.2 161.1 7.9 -6.4 37.6 118 153 A G - 0 0 0 -67,-0.3 7,-0.1 -2,-0.3 -66,-0.1 -0.437 11.8-127.3-115.5-166.2 7.4 -10.2 37.3 119 154 A E > - 0 0 39 5,-0.4 3,-1.9 3,-0.4 -66,-0.2 -0.995 32.7-102.2-148.0 131.9 8.5 -13.3 39.1 120 155 A P T 3 S+ 0 0 67 0, 0.0 -66,-0.2 0, 0.0 3,-0.1 -0.332 109.3 18.9 -60.3 137.1 10.2 -16.4 37.6 121 156 A G T 3 S+ 0 0 83 -68,-0.7 2,-0.4 1,-0.2 -67,-0.1 0.515 107.5 102.3 80.7 5.7 7.7 -19.2 37.3 122 157 A S < - 0 0 35 -3,-1.9 -3,-0.4 2,-0.1 -69,-0.3 -0.959 58.4-157.4-123.3 141.9 4.7 -16.9 37.5 123 158 A S S S+ 0 0 93 -2,-0.4 2,-0.2 -71,-0.1 -71,-0.1 0.369 74.5 78.9 -90.8 2.7 2.5 -15.5 34.7 124 159 A D S S- 0 0 94 -5,-0.1 -5,-0.4 1,-0.1 -71,-0.4 -0.675 85.5-100.2-113.3 161.0 1.5 -12.5 36.9 125 160 A L - 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0 0 0 -3,-1.0 2,-0.4 -4,-0.5 -80,-0.1 -0.170 40.8-163.4 -56.5 146.3 15.2 13.6 17.4 158 193 A c - 0 0 1 -82,-0.2 -80,-1.9 -83,-0.2 -78,-0.3 -0.993 41.5 -24.7-141.1 144.3 15.2 16.0 14.4 159 194 A N S S+ 0 0 68 -2,-0.4 33,-2.2 -82,-0.2 2,-0.5 -0.314 116.2 10.9 56.7-131.5 15.8 19.7 13.8 160 195 A T E - d 0 192C 32 31,-0.2 -80,-0.5 33,-0.1 2,-0.3 -0.673 67.5-176.5 -86.1 127.7 15.2 21.9 16.9 161 196 A V E - d 0 193C 0 31,-3.4 33,-2.6 -2,-0.5 2,-0.4 -0.880 10.7-149.3-114.7 154.5 14.8 20.2 20.3 162 197 A R E -cd 81 194C 57 -82,-2.0 -80,-3.1 -2,-0.3 2,-0.4 -0.926 5.8-163.3-123.7 138.2 14.0 22.0 23.6 163 198 A V E -cd 82 195C 0 31,-3.0 33,-2.3 -2,-0.4 2,-0.6 -0.996 9.2-149.7-120.4 138.6 15.0 21.0 27.1 164 199 A V E -cd 83 196C 0 -82,-2.2 -80,-1.7 -2,-0.4 2,-0.3 -0.924 23.8-179.7-105.6 117.8 13.4 22.4 30.3 165 200 A L E -cd 84 197C 0 31,-3.0 33,-2.6 -2,-0.6 2,-0.8 -0.760 31.7-104.4-120.7 162.5 15.8 22.5 33.2 166 201 A N E > - d 0 198C 22 -82,-0.5 3,-1.3 6,-0.5 33,-0.2 -0.777 24.4-177.2 -99.3 102.0 15.5 23.7 36.9 167 202 A G T 3 S+ 0 0 2 31,-2.2 39,-3.0 -2,-0.8 40,-1.7 0.461 81.6 68.5 -72.0 -4.1 17.1 27.0 37.6 168 203 A S T 3 S+ 0 0 28 30,-0.7 2,-0.3 37,-0.2 -1,-0.2 0.338 86.5 81.4 -98.0 5.5 16.2 26.6 41.3 169 204 A L S < S- 0 0 62 -3,-1.3 3,-0.3 1,-0.1 37,-0.2 -0.753 86.6-122.1-103.3 156.0 18.6 23.7 41.8 170 205 A E S S+ 0 0 139 -2,-0.3 2,-0.5 1,-0.3 43,-0.2 0.900 109.0 30.0 -62.3 -38.9 22.3 24.2 42.4 171 206 A N - 0 0 87 1,-0.1 -1,-0.3 36,-0.1 -5,-0.1 -0.880 64.9-174.7-126.0 101.6 23.1 22.1 39.3 172 207 A A S S+ 0 0 1 -2,-0.5 2,-0.6 -3,-0.3 -6,-0.5 0.778 80.4 55.4 -65.9 -27.4 20.4 22.3 36.6 173 208 A F - 0 0 4 -8,-0.1 2,-0.6 6,-0.0 -1,-0.1 -0.951 69.7-171.6-107.9 119.0 22.3 19.7 34.6 174 209 A D > - 0 0 58 -2,-0.6 3,-1.9 1,-0.1 6,-0.6 -0.945 13.9-155.7-111.5 112.4 23.0 16.4 36.5 175 210 A S T 3 S+ 0 0 50 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.705 94.7 52.1 -61.6 -18.7 25.3 14.1 34.6 176 211 A M T 3 S+ 0 0 115 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.385 87.6 101.1-103.0 5.0 23.8 11.1 36.4 177 212 A S S <> S- 0 0 12 -3,-1.9 4,-2.9 1,-0.1 5,-0.4 -0.359 90.6-106.6 -74.4 164.2 20.2 11.9 35.7 178 213 A I H >>S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-2.0 0.888 123.4 51.5 -61.9 -35.9 18.4 10.0 32.9 179 214 A F H 4>S+ 0 0 0 3,-0.2 5,-3.2 1,-0.2 -1,-0.2 0.941 117.0 38.4 -63.8 -43.6 18.6 13.2 30.8 180 215 A G H 45S+ 0 0 3 -6,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.823 124.6 36.9 -79.1 -31.2 22.4 13.6 31.4 181 216 A R H <5S+ 0 0 92 -4,-2.9 -3,-0.2 -7,-0.2 -2,-0.2 0.838 134.8 11.6 -91.0 -35.6 23.4 9.9 31.3 182 217 A V T <5S+ 0 0 8 -4,-2.0 4,-0.4 -5,-0.4 -3,-0.2 0.764 125.3 42.1-115.7 -42.1 21.1 8.5 28.6 183 218 A Q T > - 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