==== 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 10-OCT-10 3P5S . COMPND 2 MOLECULE: CD38 MOLECULE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.F.EGEA,H.MULLER-STAUFFLER,I.KOHN,C.CAKOU-KEFIR,R.M.STROUD, . 473 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 1 0.2 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 . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.0 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 5 0 0 0 1 2 3 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 2 1 1 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 41 A R 0 0 189 0, 0.0 124,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -43.8 10.0 -9.9 49.3 2 42 A W - 0 0 47 2,-0.1 4,-0.1 1,-0.1 123,-0.0 -0.295 360.0-131.8 -89.0 167.3 11.0 -6.5 47.9 3 43 A H S S+ 0 0 126 121,-0.1 2,-0.2 124,-0.1 -1,-0.1 0.587 81.3 82.0 -89.6 -14.3 11.4 -3.0 49.4 4 44 A G E S-A 125 0A 8 121,-1.9 121,-1.8 1,-0.1 -2,-0.1 -0.536 92.6 -87.2 -89.7 160.0 9.5 -1.1 46.8 5 45 A A E -A 124 0A 60 119,-0.2 119,-0.2 -2,-0.2 -1,-0.1 -0.224 52.2-102.9 -57.0 152.4 5.7 -0.7 46.5 6 46 A G - 0 0 15 117,-0.6 116,-0.3 116,-0.4 119,-0.2 -0.161 50.7 -67.7 -72.2 172.3 3.9 -3.4 44.6 7 47 A S - 0 0 7 114,-2.9 104,-0.2 117,-0.3 -1,-0.2 -0.224 59.5 -90.7 -59.5 146.9 2.6 -3.2 41.0 8 48 A T > - 0 0 39 102,-2.4 3,-1.2 1,-0.1 -1,-0.1 -0.386 52.5-105.5 -53.2 127.0 -0.3 -0.9 40.2 9 49 A A T 3 S+ 0 0 61 1,-0.3 5,-0.1 -2,-0.1 -1,-0.1 -0.316 102.2 9.8 -56.4 137.6 -3.5 -2.9 40.5 10 50 A D T 3> S+ 0 0 113 1,-0.1 4,-2.4 3,-0.1 3,-0.4 0.853 79.9 164.9 58.4 37.7 -5.1 -3.8 37.2 11 51 A F H <> + 0 0 2 -3,-1.2 4,-2.8 1,-0.2 5,-0.3 0.882 69.3 51.2 -51.5 -45.2 -2.0 -2.6 35.4 12 52 A Q H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 109.0 49.3 -73.1 -27.9 -2.8 -4.4 32.1 13 53 A K H > S+ 0 0 99 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.926 112.5 50.7 -67.1 -44.1 -6.4 -2.9 32.0 14 54 A I H X S+ 0 0 29 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.972 109.8 46.8 -58.4 -57.0 -4.9 0.5 32.6 15 55 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.880 115.5 47.6 -60.1 -30.5 -2.2 0.3 29.9 16 56 A Q H X S+ 0 0 50 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.938 113.1 47.0 -74.1 -40.5 -4.9 -1.0 27.4 17 57 A E H X S+ 0 0 100 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.905 114.0 47.7 -62.8 -44.9 -7.4 1.7 28.3 18 58 A R H X S+ 0 0 73 -4,-3.1 4,-3.0 -5,-0.2 5,-0.2 0.871 109.6 54.5 -63.9 -38.3 -4.7 4.5 28.1 19 59 A a H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.937 109.7 46.1 -60.0 -48.3 -3.6 3.0 24.8 20 60 A D H X S+ 0 0 65 -4,-2.5 4,-1.6 2,-0.2 5,-0.4 0.947 115.0 47.7 -58.6 -48.4 -7.2 3.3 23.4 21 61 A T H X>S+ 0 0 59 -4,-2.4 4,-2.6 1,-0.2 5,-1.1 0.929 115.5 44.6 -58.3 -47.3 -7.5 6.8 24.8 22 62 A Y H X>S+ 0 0 8 -4,-3.0 5,-3.1 3,-0.2 4,-0.8 0.939 116.4 42.6 -64.3 -47.7 -4.2 8.0 23.4 23 63 A T H <5S+ 0 0 32 -4,-2.5 6,-0.3 -5,-0.2 -1,-0.2 0.704 127.5 31.0 -77.1 -21.9 -4.4 6.5 19.9 24 64 A Q H <5S+ 0 0 133 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.764 134.7 17.1-103.0 -36.0 -8.0 7.5 19.4 25 65 A T H <5S+ 0 0 105 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.590 126.9 36.4-118.3 -17.5 -8.6 10.7 21.3 26 66 A I T < - 0 0 99 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 -0.708 18.7-166.1 -85.4 118.3 -3.0 -2.2 17.8 35 75 A a H > S+ 0 0 7 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.825 86.9 58.1 -76.6 -30.1 -3.4 -1.5 21.5 36 76 A Q H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.961 110.0 44.5 -59.2 -48.5 -4.1 -5.1 22.4 37 77 A A H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.840 110.8 54.0 -66.9 -36.1 -0.7 -6.1 20.8 38 78 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.921 111.0 45.9 -62.1 -43.6 1.0 -3.2 22.5 39 79 A R H X S+ 0 0 37 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.910 111.9 51.8 -63.5 -44.3 -0.3 -4.4 25.9 40 80 A Q H X S+ 0 0 89 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.927 112.4 44.8 -57.7 -45.7 0.7 -7.9 25.2 41 81 A A H X S+ 0 0 25 -4,-2.3 4,-1.4 2,-0.2 21,-0.2 0.861 111.9 52.5 -66.4 -39.9 4.3 -6.9 24.3 42 82 A F H >X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.6 0.972 113.9 43.5 -60.1 -52.4 4.5 -4.7 27.3 43 83 A M H >X S+ 0 0 16 -4,-2.9 4,-2.7 1,-0.2 3,-0.9 0.910 111.5 53.7 -60.0 -41.0 3.4 -7.5 29.6 44 84 A S H 3< S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.760 95.4 70.4 -68.4 -24.9 5.7 -10.1 27.8 45 85 A A H << S+ 0 0 6 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.876 122.7 4.4 -59.0 -38.0 8.7 -7.8 28.3 46 86 A F H X< S+ 0 0 0 -3,-0.9 3,-1.6 -4,-0.7 67,-0.3 0.627 93.0 119.9-124.3 -19.2 8.8 -8.5 32.1 47 87 A I T 3< S+ 0 0 27 -4,-2.7 3,-0.1 1,-0.3 71,-0.1 -0.291 88.2 0.9 -63.2 131.0 6.2 -11.0 33.1 48 88 A S T 3 S+ 0 0 54 71,-0.4 68,-0.7 1,-0.3 2,-0.3 0.721 104.7 118.8 69.5 22.8 7.4 -14.2 34.7 49 89 A K S < S- 0 0 72 -3,-1.6 -1,-0.3 66,-0.2 64,-0.2 -0.768 82.0 -80.1-113.1 161.9 11.1 -13.0 34.6 50 90 A D > - 0 0 66 -2,-0.3 3,-1.7 1,-0.2 64,-0.1 -0.515 42.9-142.0 -59.0 118.0 13.6 -12.4 37.4 51 91 A P T 3 S+ 0 0 3 0, 0.0 85,-0.5 0, 0.0 3,-0.2 0.459 96.5 49.4 -67.0 -3.8 12.6 -8.9 38.5 52 92 A b T 3 S+ 0 0 22 83,-0.2 82,-0.3 1,-0.1 83,-0.2 0.130 97.0 69.4-122.9 19.1 16.2 -7.8 39.0 53 93 A K < + 0 0 143 -3,-1.7 82,-0.2 80,-0.1 -1,-0.1 0.020 63.3 146.9-123.0 25.8 17.6 -9.0 35.7 54 94 A A - 0 0 5 80,-2.3 2,-0.3 -3,-0.2 -8,-0.1 -0.369 25.4-169.5 -63.6 139.5 15.9 -6.5 33.3 55 95 A T > - 0 0 57 1,-0.1 3,-1.3 -2,-0.0 4,-0.3 -0.908 35.7-116.5-123.6 157.4 18.0 -5.5 30.3 56 96 A K G > S+ 0 0 74 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.851 114.7 64.5 -56.8 -34.6 17.4 -2.7 27.8 57 97 A E G > S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.751 85.7 71.0 -64.3 -25.1 17.0 -5.5 25.2 58 98 A D G < S+ 0 0 45 -3,-1.3 4,-0.3 1,-0.2 -1,-0.3 0.728 103.8 43.4 -62.6 -20.6 13.9 -6.9 26.9 59 99 A Y G <> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.3 -1,-0.2 0.375 81.1 98.3-106.4 2.1 12.1 -3.7 25.7 60 100 A N H <> S+ 0 0 7 -3,-1.2 4,-2.8 -4,-0.2 5,-0.1 0.920 87.8 46.2 -59.7 -45.5 13.2 -3.4 22.0 61 101 A S H > S+ 0 0 43 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.942 112.3 49.1 -64.3 -49.9 10.1 -5.0 20.6 62 102 A L H >> S+ 0 0 3 -4,-0.3 3,-1.0 -21,-0.2 4,-0.6 0.942 113.8 47.1 -51.6 -50.3 7.7 -3.1 22.7 63 103 A I H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.929 105.2 59.8 -63.5 -42.3 9.4 0.2 21.8 64 104 A N H 3< S+ 0 0 42 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.764 98.5 59.4 -53.9 -27.4 9.5 -0.8 18.1 65 105 A L H << S+ 0 0 76 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.717 130.7 5.0 -75.1 -20.9 5.6 -1.0 18.2 66 106 A A S << S- 0 0 2 -3,-1.8 36,-0.4 -4,-0.6 -1,-0.2 -0.374 77.8-157.8-161.6 78.9 5.5 2.7 19.2 67 107 A P - 0 0 25 0, 0.0 2,-2.1 0, 0.0 34,-0.2 -0.294 30.0-115.3 -64.2 145.8 8.8 4.6 19.3 68 108 A P + 0 0 1 0, 0.0 2,-0.5 0, 0.0 83,-0.2 -0.497 60.8 151.6 -76.2 67.7 8.7 7.7 21.6 69 109 A T - 0 0 24 -2,-2.1 79,-0.1 81,-0.1 80,-0.1 -0.922 27.1-164.2-115.9 127.6 9.3 10.1 18.7 70 110 A V - 0 0 0 -2,-0.5 5,-0.2 78,-0.2 83,-0.1 -0.764 33.4 -90.1-110.2 143.6 7.9 13.7 18.8 71 111 A P > - 0 0 15 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.137 58.7 -83.2 -56.1 144.7 7.5 16.1 15.9 72 112 A c T 3 S+ 0 0 32 1,-0.3 82,-0.2 2,-0.1 84,-0.1 -0.136 114.9 14.7 -48.6 134.4 10.5 18.3 15.1 73 113 A G T 3 S+ 0 0 22 80,-2.2 -1,-0.3 82,-0.3 81,-0.1 0.521 108.9 83.7 80.3 4.4 10.6 21.4 17.3 74 114 A Q < + 0 0 61 -3,-2.1 21,-3.3 79,-0.2 2,-0.3 0.375 58.5 117.2-115.0 0.8 8.1 20.1 19.8 75 115 A Q E -bc 95 156B 1 80,-0.5 82,-2.3 -4,-0.3 2,-0.4 -0.546 39.4-171.6 -86.6 135.8 10.2 18.1 22.2 76 116 A V E - c 0 157B 0 19,-2.4 21,-0.5 -2,-0.3 2,-0.2 -0.981 4.1-170.4-129.8 124.4 10.7 18.9 25.8 77 117 A F E - c 0 158B 3 80,-3.0 82,-2.0 -2,-0.4 2,-0.3 -0.676 9.2-175.6-100.3 162.7 13.0 17.4 28.4 78 118 A W E - c 0 159B 63 -2,-0.2 2,-0.3 80,-0.2 82,-0.2 -0.981 15.9-168.3-152.4 163.1 13.0 18.0 32.1 79 119 A S E S- c 0 160B 8 80,-1.4 82,-0.6 -2,-0.3 -2,-0.0 -0.875 83.2 -10.0-157.3 117.1 15.0 17.1 35.2 80 120 A K S S+ 0 0 100 -2,-0.3 80,-0.1 80,-0.1 3,-0.0 0.683 122.5 80.4 64.7 21.9 13.7 17.8 38.8 81 121 A T > + 0 0 13 78,-0.2 4,-3.2 2,-0.1 5,-0.3 -0.069 46.9 141.9-146.1 31.7 10.9 19.8 37.2 82 122 A K H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 75.8 39.1 -51.1 -53.6 8.3 17.2 36.0 83 123 A E H > S+ 0 0 146 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 117.7 48.4 -72.2 -41.7 5.1 19.1 36.8 84 124 A L H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 112.0 51.2 -57.7 -45.0 6.4 22.5 35.8 85 125 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.895 109.6 49.3 -62.1 -43.0 7.6 21.0 32.5 86 126 A H H X S+ 0 0 85 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.900 110.9 49.3 -64.7 -41.1 4.3 19.4 31.8 87 127 A E H X S+ 0 0 80 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.942 113.2 47.6 -60.6 -46.7 2.4 22.6 32.4 88 128 A Y H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.922 113.6 47.6 -59.5 -45.7 4.7 24.5 30.1 89 129 A A H X>S+ 0 0 0 -4,-2.6 5,-3.1 -5,-0.2 4,-0.5 0.915 112.0 49.4 -64.0 -44.8 4.4 21.8 27.5 90 130 A K H ><5S+ 0 0 164 -4,-2.8 3,-0.9 3,-0.2 -2,-0.2 0.934 112.2 48.2 -59.4 -49.4 0.6 21.7 27.7 91 131 A R H 3<5S+ 0 0 187 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.929 119.4 38.2 -56.2 -48.3 0.3 25.5 27.4 92 132 A R H 3<5S- 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.351 110.2-117.3 -90.1 6.4 2.7 25.6 24.4 93 133 A R T <<5 + 0 0 209 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.928 69.3 136.0 58.2 44.9 1.4 22.5 22.7 94 134 A L < - 0 0 24 -5,-3.1 2,-0.4 -6,-0.2 -19,-0.2 -0.532 49.3-119.6-109.2-177.8 4.8 20.8 23.1 95 135 A M B -b 75 0B 23 -21,-3.3 -19,-2.4 -2,-0.2 2,-0.2 -0.986 17.7-168.2-135.2 132.0 5.4 17.2 24.2 96 136 A T > - 0 0 0 -2,-0.4 3,-2.0 -21,-0.2 4,-0.3 -0.488 51.0 -90.2 -96.4 176.4 7.4 15.7 27.0 97 137 A L G > S+ 0 0 7 -21,-0.5 3,-1.6 1,-0.3 6,-0.4 0.848 128.8 62.7 -54.3 -33.7 8.3 12.0 27.3 98 138 A E G 3 S+ 0 0 16 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.635 96.7 59.9 -69.0 -11.1 4.9 11.6 29.1 99 139 A D G < S+ 0 0 37 -3,-2.0 -1,-0.3 4,-0.1 2,-0.2 0.437 84.7 92.6-100.0 0.3 3.1 12.7 26.0 100 140 A T S <> S- 0 0 1 -3,-1.6 4,-2.6 -4,-0.3 5,-0.3 -0.542 92.8-105.4 -82.5 162.8 4.4 9.9 23.8 101 141 A L H > S+ 0 0 12 -34,-0.2 4,-2.3 1,-0.2 5,-0.1 0.951 118.6 38.6 -53.0 -54.8 2.3 6.8 23.5 102 142 A L H > S+ 0 0 0 -36,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.868 115.5 51.3 -71.7 -36.5 4.5 4.6 25.7 103 143 A G H > S+ 0 0 0 -6,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.874 110.4 51.2 -64.4 -35.9 5.3 7.3 28.2 104 144 A Y H < S+ 0 0 69 -4,-2.6 -2,-0.2 -7,-0.2 -1,-0.2 0.909 109.8 49.9 -66.5 -42.8 1.5 8.0 28.5 105 145 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.958 119.8 35.3 -55.1 -51.2 0.8 4.4 29.1 106 146 A A H >< S+ 0 0 0 -4,-2.2 3,-2.7 -5,-0.1 -2,-0.2 0.674 80.9 130.3 -87.2 -21.0 3.5 4.0 31.8 107 147 A D T 3< S- 0 0 57 -4,-2.1 3,-0.1 1,-0.3 -3,-0.0 -0.081 86.8 -6.9 -44.0 120.8 3.3 7.4 33.5 108 148 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.535 105.7 122.7 72.1 9.4 3.0 7.0 37.3 109 149 A L < - 0 0 14 -3,-2.7 2,-0.4 28,-0.1 -1,-0.2 -0.622 46.2-153.8 -98.9 162.1 2.6 3.3 37.2 110 150 A R + 0 0 76 -2,-0.2 -102,-2.4 -3,-0.1 2,-0.3 -0.984 19.1 168.6-128.4 147.4 4.7 0.6 38.9 111 151 A W + 0 0 3 -2,-0.4 26,-0.3 -104,-0.2 2,-0.3 -0.988 10.2 153.7-155.4 149.5 5.1 -3.0 37.7 112 152 A d - 0 0 1 -2,-0.3 9,-2.4 9,-0.1 -105,-0.2 -0.947 20.6-148.2-161.5 160.0 7.1 -6.1 38.2 113 153 A G - 0 0 1 -67,-0.3 7,-0.1 -2,-0.3 -66,-0.1 -0.278 13.0-127.2-111.9-158.5 6.6 -9.8 37.7 114 154 A E > - 0 0 30 3,-0.5 3,-1.9 5,-0.3 -64,-0.1 -0.973 32.4 -95.9-158.3 136.6 7.8 -13.0 39.4 115 155 A P T 3 S+ 0 0 73 0, 0.0 -66,-0.2 0, 0.0 -67,-0.1 -0.336 109.6 15.0 -61.2 138.8 9.5 -16.1 38.0 116 156 A G T 3 S+ 0 0 83 -68,-0.7 2,-0.4 1,-0.2 -67,-0.1 0.571 106.8 100.3 73.7 10.5 7.1 -18.8 37.3 117 157 A S < - 0 0 42 -3,-1.9 -3,-0.5 2,-0.1 -69,-0.2 -0.994 59.9-153.5-128.2 140.7 4.0 -16.6 37.5 118 158 A S S S+ 0 0 101 -2,-0.4 2,-0.2 -71,-0.1 -71,-0.1 0.369 75.5 78.9 -84.1 3.9 1.9 -15.1 34.7 119 159 A D S S- 0 0 109 -5,-0.1 -71,-0.4 1,-0.1 -5,-0.3 -0.691 83.7-100.4-116.1 163.2 0.8 -12.2 37.0 120 160 A L - 0 0 32 -2,-0.2 2,-0.9 -7,-0.1 -7,-0.2 -0.477 35.8-115.8 -74.1 149.8 2.1 -9.0 38.4 121 161 A N + 0 0 18 -9,-2.4 -114,-2.9 -2,-0.1 -9,-0.1 -0.829 35.5 176.9 -83.1 106.7 3.5 -8.8 41.9 122 162 A I S S+ 0 0 80 -2,-0.9 -116,-0.4 -116,-0.3 -1,-0.1 0.507 71.0 61.0 -93.0 -3.6 1.0 -6.5 43.5 123 163 A W S S- 0 0 220 1,-0.3 -117,-0.6 -118,-0.1 2,-0.3 0.837 117.0 -14.6 -90.7 -38.3 2.5 -6.8 47.0 124 164 A S E -A 5 0A 9 -119,-0.2 -1,-0.3 -12,-0.1 -117,-0.3 -0.980 52.3-161.7-162.7 154.4 6.1 -5.5 46.4 125 165 A d E -A 4 0A 3 -121,-1.8 -121,-1.9 -2,-0.3 -13,-0.1 -0.948 42.6 -80.2-136.4 158.8 8.5 -4.6 43.6 126 166 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.364 41.4-134.2 -63.8 134.9 12.3 -4.1 43.6 127 167 A D >> - 0 0 43 1,-0.1 4,-2.1 -123,-0.1 5,-1.7 -0.694 12.4-130.8 -83.5 138.8 13.5 -0.7 44.8 128 168 A W T 45S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.890 104.0 30.7 -58.8 -41.6 16.1 0.9 42.7 129 169 A R T 45S+ 0 0 171 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.869 127.5 36.7 -89.3 -36.2 18.4 1.7 45.6 130 170 A K T 45S+ 0 0 106 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.625 130.4 20.7 -94.8 -16.6 17.7 -1.1 48.1 131 171 A D T <5S- 0 0 45 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.759 118.5 -42.7-116.5 -66.6 17.2 -4.0 45.7 132 172 A b < - 0 0 21 -5,-1.7 3,-0.2 1,-0.1 -1,-0.2 -0.922 25.9-140.6-168.8 144.5 18.6 -3.6 42.2 133 173 A R S S+ 0 0 165 -2,-0.3 2,-1.9 1,-0.2 6,-0.1 0.771 94.8 78.3 -78.0 -24.6 18.9 -1.0 39.5 134 174 A T + 0 0 72 -82,-0.3 -80,-2.3 4,-0.1 2,-0.3 -0.330 68.5 130.1 -86.5 55.9 18.3 -3.7 36.9 135 175 A N > - 0 0 6 -2,-1.9 4,-2.4 -3,-0.2 5,-0.3 -0.780 69.7-113.6-108.9 155.2 14.5 -3.8 37.5 136 176 A Y H > S+ 0 0 8 -85,-0.5 4,-1.8 -2,-0.3 5,-0.2 0.826 111.9 53.0 -61.5 -33.5 11.8 -3.5 34.8 137 177 A L H > S+ 0 0 28 -26,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.971 114.5 38.4 -65.0 -54.5 10.5 -0.2 36.0 138 178 A S H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.865 116.4 52.3 -66.2 -39.0 13.8 1.7 36.0 139 179 A V H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.873 104.7 55.6 -67.9 -40.6 15.1 0.1 32.8 140 180 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.970 110.4 46.0 -52.7 -52.0 11.9 0.9 30.8 141 181 A W H X S+ 0 0 44 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.916 112.8 49.5 -65.6 -39.0 12.4 4.6 31.6 142 182 A E H X S+ 0 0 48 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.928 115.8 41.8 -63.9 -43.8 16.1 4.6 30.8 143 183 A V H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.903 114.8 49.7 -72.7 -38.7 15.6 2.8 27.4 144 184 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.922 112.5 49.3 -62.2 -43.2 12.5 4.9 26.5 145 185 A S H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.888 108.6 52.9 -62.2 -42.7 14.4 8.1 27.4 146 186 A E H X S+ 0 0 25 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.954 113.1 42.9 -57.3 -51.3 17.4 7.0 25.3 147 187 A R H X S+ 0 0 21 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.869 111.5 56.3 -62.7 -39.1 15.2 6.4 22.3 148 188 A F H X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.2 -78,-0.2 0.900 112.1 41.9 -53.8 -47.5 13.3 9.7 23.0 149 189 A A H >< S+ 0 0 0 -4,-2.4 34,-1.8 1,-0.2 3,-0.6 0.865 110.2 56.4 -74.8 -37.0 16.6 11.6 22.9 150 190 A E H 3< S+ 0 0 10 -4,-2.5 -1,-0.2 32,-0.2 -2,-0.2 0.773 109.1 47.1 -63.6 -26.3 18.0 9.8 19.9 151 191 A S H 3< S+ 0 0 14 -4,-1.3 -1,-0.2 -83,-0.2 -2,-0.2 0.558 84.1 122.2 -95.1 -10.5 14.9 10.7 17.8 152 192 A A << - 0 0 0 -3,-0.6 2,-0.3 -4,-0.6 -80,-0.1 -0.087 41.2-172.7 -49.7 147.6 14.9 14.4 18.8 153 193 A c - 0 0 1 2,-0.2 -80,-2.2 -82,-0.2 -78,-0.3 -0.991 38.6 -12.8-158.0 144.9 15.1 16.9 16.0 154 194 A N S S+ 0 0 62 -2,-0.3 33,-2.1 -82,-0.2 2,-0.3 -0.464 117.6 4.4 66.5-137.2 15.5 20.6 15.3 155 195 A T E S+ d 0 187B 37 31,-0.2 -80,-0.5 -2,-0.2 2,-0.3 -0.595 70.0 179.3 -79.5 133.1 15.0 22.8 18.4 156 196 A V E -cd 75 188B 0 31,-3.1 33,-2.2 -2,-0.3 2,-0.3 -0.947 12.0-149.7-125.1 153.0 14.5 20.9 21.7 157 197 A R E -cd 76 189B 29 -82,-2.3 -80,-3.0 -2,-0.3 2,-0.4 -0.900 5.4-161.3-122.5 153.1 13.9 22.5 25.1 158 198 A V E -cd 77 190B 0 31,-2.7 33,-2.2 -2,-0.3 2,-0.6 -1.000 8.1-150.7-132.6 138.3 14.8 21.4 28.6 159 199 A V E -cd 78 191B 0 -82,-2.0 -80,-1.4 -2,-0.4 2,-0.3 -0.939 23.4-179.6-108.8 122.3 13.3 22.7 31.8 160 200 A L E -cd 79 192B 0 31,-3.2 33,-2.6 -2,-0.6 2,-0.8 -0.800 31.7-105.2-123.1 162.6 15.7 22.6 34.8 161 201 A N E > - d 0 193B 23 -82,-0.6 3,-1.2 6,-0.4 33,-0.2 -0.766 24.2-177.4 -95.0 104.2 15.5 23.5 38.4 162 202 A G T 3 S+ 0 0 2 31,-2.0 39,-1.7 -2,-0.8 40,-1.5 0.373 79.2 72.4 -79.7 5.1 17.4 26.6 39.3 163 203 A S T 3 S+ 0 0 21 30,-0.6 -1,-0.2 37,-0.2 2,-0.2 0.481 85.9 76.7 -95.3 -6.2 16.4 26.1 43.0 164 204 A L S < S- 0 0 68 -3,-1.2 3,-0.3 1,-0.1 37,-0.1 -0.645 90.0-118.1 -95.9 160.5 18.8 23.2 43.4 165 205 A E S S+ 0 0 136 1,-0.3 2,-0.6 -2,-0.2 43,-0.2 0.939 110.1 33.6 -61.8 -45.3 22.6 23.6 43.8 166 206 A N - 0 0 84 1,-0.2 -1,-0.3 36,-0.1 -5,-0.1 -0.832 63.5-176.7-116.1 95.2 23.1 21.7 40.6 167 207 A A S S+ 0 0 0 -2,-0.6 2,-0.7 -3,-0.3 -6,-0.4 0.836 82.3 56.9 -61.3 -28.3 20.4 22.3 38.0 168 208 A F S S- 0 0 3 -3,-0.1 2,-0.7 -8,-0.1 -1,-0.2 -0.895 73.8-168.4-105.9 111.1 22.2 19.7 35.8 169 209 A D > - 0 0 53 -2,-0.7 3,-1.7 1,-0.1 6,-0.6 -0.848 9.5-160.9-100.1 112.9 22.6 16.4 37.6 170 210 A S T 3 S+ 0 0 38 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.627 91.6 54.2 -73.4 -8.9 25.0 14.2 35.6 171 211 A M T 3 S+ 0 0 128 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.348 91.7 96.6-103.9 5.8 23.7 11.1 37.4 172 212 A S S <> S- 0 0 9 -3,-1.7 4,-3.1 1,-0.1 5,-0.5 -0.365 91.3-107.4 -81.7 169.3 20.1 11.8 36.4 173 213 A I H >>S+ 0 0 50 2,-0.2 5,-2.6 1,-0.2 4,-2.0 0.930 123.9 50.1 -64.9 -39.3 18.4 10.3 33.4 174 214 A F H 4>S+ 0 0 4 3,-0.2 5,-3.0 1,-0.2 -1,-0.2 0.941 118.2 39.7 -61.0 -43.8 18.6 13.7 31.6 175 215 A G H 45S+ 0 0 3 -6,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.862 127.3 29.2 -71.5 -40.3 22.3 13.9 32.5 176 216 A R H <5S+ 0 0 85 -4,-3.1 -3,-0.2 -7,-0.2 -2,-0.2 0.797 135.1 18.1 -95.1 -32.2 23.4 10.3 31.9 177 217 A V T <5S+ 0 0 11 -4,-2.0 4,-0.4 -5,-0.5 -3,-0.2 0.826 123.7 38.3-111.0 -48.0 21.0 9.0 29.2 178 218 A E T >>4 - 0 0 1 -34,-1.8 3,-1.1 1,-0.1 -1,-0.1 -0.194 49.9-102.6 -45.3 136.1 20.7 13.4 18.0 184 224 A P T 3 S+ 0 0 18 0, 0.0 127,-0.4 0, 0.0 36,-0.2 -0.340 98.5 22.6 -68.9 150.8 23.6 15.5 16.7 185 225 A Q T 3 S+ 0 0 95 35,-1.2 36,-0.2 34,-1.1 35,-0.1 0.502 86.2 126.3 66.7 10.2 23.0 19.0 15.3 186 226 A V < - 0 0 2 -3,-1.1 36,-1.0 33,-0.2 2,-0.4 -0.378 59.8-123.8 -74.7 174.5 19.8 19.6 17.1 187 227 A E E -de 155 222B 62 -33,-2.1 -31,-3.1 34,-0.2 2,-0.5 -0.994 20.2-153.0-125.6 134.1 19.7 22.8 19.1 188 228 A L E -de 156 223B 0 34,-3.2 36,-2.5 -2,-0.4 2,-0.5 -0.915 7.4-166.3-114.3 130.0 18.9 22.9 22.8 189 229 A E E -de 157 224B 43 -33,-2.2 -31,-2.7 -2,-0.5 2,-0.4 -0.955 12.6-161.0-110.0 124.0 17.4 25.7 24.8 190 230 A A E -de 158 225B 0 34,-2.9 36,-2.4 -2,-0.5 2,-0.5 -0.860 6.1-164.9-107.1 140.6 17.6 25.3 28.6 191 231 A W E -de 159 226B 23 -33,-2.2 -31,-3.2 -2,-0.4 2,-0.7 -0.993 5.3-159.4-123.0 119.6 15.5 27.2 31.1 192 232 A L E -d 160 0B 1 34,-2.7 37,-0.8 -2,-0.5 2,-0.4 -0.914 18.9-174.0-101.7 114.9 16.6 27.3 34.7 193 233 A V E -de 161 229B 5 -33,-2.6 -31,-2.0 -2,-0.7 -30,-0.6 -0.913 7.8-153.7-122.4 133.2 13.6 28.1 36.7 194 234 A H E - e 0 230B 21 35,-2.9 37,-1.3 -2,-0.4 3,-0.1 -0.702 29.6 -88.0-111.8 156.7 13.5 28.8 40.5 195 235 A D > - 0 0 66 -2,-0.3 3,-1.4 35,-0.2 -1,-0.1 -0.326 51.2-101.0 -60.2 134.2 10.8 28.4 43.2 196 236 A T T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.1 34,-0.0 -0.350 108.7 21.7 -54.9 128.6 8.5 31.4 43.7 197 237 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.672 107.8 90.1 87.1 19.5 9.7 33.3 46.7 198 238 A K S < S- 0 0 112 -3,-1.4 -1,-0.2 -4,-0.0 3,-0.1 -0.991 75.8-115.1-145.1 137.4 13.3 32.0 46.8 199 239 A P - 0 0 115 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.412 45.5-100.2 -63.9 146.0 16.6 33.2 45.3 200 240 A P - 0 0 50 0, 0.0 -37,-0.2 0, 0.0 -6,-0.1 -0.482 23.7-161.6 -73.0 138.0 18.0 30.7 42.7 201 241 A S S S+ 0 0 48 -39,-1.7 2,-0.3 -2,-0.2 -38,-0.2 0.388 75.6 40.1 -97.6 -0.0 20.9 28.4 43.8 202 242 A D + 0 0 17 -40,-1.5 26,-0.3 -36,-0.1 2,-0.3 -0.997 62.9 177.7-145.9 153.5 22.0 27.6 40.3 203 243 A S > - 0 0 36 -2,-0.3 3,-1.3 -38,-0.2 6,-0.4 -0.843 48.4 -90.8-141.1 178.7 22.5 29.5 37.0 204 244 A e T 3 S+ 0 0 33 -2,-0.3 -1,-0.0 1,-0.2 22,-0.0 0.763 124.5 54.0 -63.7 -24.3 23.7 29.2 33.5 205 245 A S T 3 S+ 0 0 112 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.448 88.9 110.0 -88.8 -3.6 27.2 30.2 34.6 206 246 A G S <> S- 0 0 16 -3,-1.3 4,-1.6 1,-0.1 3,-0.1 -0.217 82.9-104.9 -76.0 166.3 27.4 27.5 37.3 207 247 A S H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.902 115.9 52.2 -55.3 -50.2 29.5 24.4 37.3 208 248 A S H > S+ 0 0 2 1,-0.2 4,-1.6 -43,-0.2 -1,-0.2 0.900 108.4 49.8 -59.8 -41.4 26.8 21.9 36.5 209 249 A I H > S+ 0 0 4 -6,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.848 105.5 58.8 -69.1 -28.1 25.6 23.9 33.4 210 250 A R H X S+ 0 0 141 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.902 102.9 52.7 -64.0 -39.6 29.2 24.0 32.2 211 251 A K H X S+ 0 0 106 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.896 109.3 49.6 -60.6 -39.2 29.2 20.2 32.3 212 252 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.912 107.7 52.5 -68.3 -42.3 26.1 20.1 30.1 213 253 A K H X S+ 0 0 83 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 108.3 53.7 -57.3 -40.5 27.6 22.6 27.6 214 254 A S H X S+ 0 0 66 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.919 108.6 47.5 -58.7 -46.4 30.6 20.3 27.4 215 255 A I H X S+ 0 0 47 -4,-1.9 4,-1.0 1,-0.2 3,-0.2 0.935 112.0 50.1 -61.9 -43.7 28.3 17.3 26.6 216 256 A L H <>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.2 3,-0.3 0.821 103.7 58.8 -69.0 -28.5 26.4 19.2 23.9 217 257 A D H ><5S+ 0 0 80 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.915 104.1 52.4 -62.6 -40.0 29.7 20.4 22.3 218 258 A G H 3<5S+ 0 0 47 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 110.8 46.2 -71.4 -23.0 30.6 16.8 21.7 219 259 A R T 3<5S- 0 0 25 -4,-1.0 -34,-1.1 -3,-0.3 -1,-0.3 0.325 113.7-119.6 -95.6 0.8 27.3 16.1 20.1 220 260 A N T < 5 + 0 0 100 -3,-1.3 -35,-1.2 1,-0.2 2,-0.5 0.965 62.1 152.5 56.7 49.6 27.6 19.2 18.0 221 261 A V < - 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0 0 102 -2,-0.4 4,-2.1 1,-0.2 3,-0.2 -0.674 23.2-170.8 -81.8 100.0 33.9 -0.9 22.4 274 75 B f H > S+ 0 0 11 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.835 85.0 57.7 -63.3 -32.7 34.6 -2.6 19.1 275 76 B Q H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 110.1 44.5 -61.5 -43.1 35.5 -5.8 20.9 276 77 B A H > S+ 0 0 27 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.845 111.7 52.9 -68.5 -34.4 32.0 -5.9 22.5 277 78 B I H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.945 110.9 46.1 -68.3 -47.3 30.3 -4.9 19.2 278 79 B R H X S+ 0 0 43 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.886 111.3 53.2 -58.4 -40.8 32.0 -7.8 17.4 279 80 B Q H X S+ 0 0 109 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.926 110.5 46.6 -61.1 -45.7 31.1 -10.1 20.2 280 81 B A H X S+ 0 0 14 -4,-2.3 4,-1.2 2,-0.2 21,-0.3 0.828 110.0 53.8 -61.4 -38.8 27.4 -9.1 20.0 281 82 B F H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.4 0.957 113.4 42.4 -62.5 -52.9 27.4 -9.5 16.2 282 83 B M H >X S+ 0 0 16 -4,-2.3 4,-2.8 1,-0.2 3,-1.1 0.919 111.7 53.2 -57.0 -50.1 28.7 -13.1 16.4 283 84 B S H 3< S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.766 96.7 70.2 -63.0 -23.9 26.5 -14.1 19.3 284 85 B A H 3< S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.872 122.6 4.3 -59.4 -37.8 23.4 -12.9 17.4 285 86 B F H X< S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.7 67,-0.3 0.644 95.1 115.6-124.9 -24.6 23.6 -15.8 14.9 286 87 B I T 3< S+ 0 0 32 -4,-2.8 3,-0.1 1,-0.2 71,-0.1 -0.217 87.6 6.9 -60.9 138.8 26.5 -18.2 15.8 287 88 B S T 3 S+ 0 0 54 71,-0.3 68,-0.8 1,-0.2 2,-0.3 0.705 108.5 112.9 65.2 20.8 25.5 -21.8 16.7 288 89 B K S < S- 0 0 67 -3,-1.4 -1,-0.2 66,-0.2 64,-0.2 -0.808 82.3 -84.0-119.9 161.5 21.9 -21.1 15.7 289 90 B D > - 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