==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-AUG-11 3TBA . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.F.AHMAD,P.S.KAUSHAL,Q.WAN,S.R.WIJERATNA,M.HUANG,C DEALWIS . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 3 0.5 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 . 31 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 1 1 3 3 2 2 2 1 2 2 2 2 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 2 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 PARALLEL BRIDGES PER LADDER . 3 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 0 0 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 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 78 A A 0 0 130 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.4 44.4 65.0 1.0 2 79 A A + 0 0 40 2,-0.2 69,-0.1 1,-0.1 4,-0.0 0.050 360.0 64.3-118.4 21.7 42.8 64.4 4.4 3 80 A R S > S+ 0 0 50 2,-0.1 4,-2.5 3,-0.1 -1,-0.1 0.376 90.7 72.9-105.5 -11.6 45.1 66.3 6.7 4 81 A I T 4 S+ 0 0 130 2,-0.2 -2,-0.2 1,-0.2 0, 0.0 0.866 104.0 36.1 -65.4 -41.2 43.9 69.3 4.7 5 82 A A T 4 S+ 0 0 31 -4,-0.2 4,-0.4 2,-0.1 3,-0.4 0.675 117.5 54.1 -86.7 -20.3 40.5 69.1 6.5 6 83 A I T >> S+ 0 0 5 1,-0.2 4,-1.2 2,-0.1 3,-1.0 0.929 105.6 51.1 -73.5 -49.2 42.1 68.0 9.8 7 84 A S T 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.078 101.4 62.2 -85.4 22.3 44.6 71.0 10.1 8 85 A N T 3> S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.1 -1,-0.2 0.553 101.3 51.2-106.7 -26.7 41.9 73.6 9.5 9 86 A L T <4 S+ 0 0 11 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.850 108.7 51.3 -73.3 -38.9 40.0 72.6 12.7 10 87 A H T >< S+ 0 0 41 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.790 111.0 51.7 -63.5 -30.1 43.4 72.9 14.6 11 88 A K T 34 S+ 0 0 74 1,-0.2 2,-0.5 -5,-0.2 -2,-0.2 0.955 114.7 39.0 -67.8 -53.4 43.5 76.3 13.0 12 89 A Q T 3< S+ 0 0 152 -4,-2.3 2,-0.3 2,-0.0 -1,-0.2 -0.312 104.2 81.3-100.5 49.0 40.0 77.4 14.1 13 90 A T S < S- 0 0 24 -3,-0.6 74,-0.1 -2,-0.5 75,-0.1 -0.977 77.8-109.7-151.4 139.6 39.9 75.9 17.6 14 91 A T - 0 0 55 -2,-0.3 75,-0.1 73,-0.2 -2,-0.0 -0.260 23.7-148.9 -54.3 146.6 41.2 76.9 21.1 15 92 A K S S+ 0 0 142 1,-0.0 74,-0.1 5,-0.0 5,-0.1 0.922 70.2 79.2 -83.9 -76.1 44.1 74.7 22.4 16 93 A Q > - 0 0 97 1,-0.1 4,-1.7 3,-0.1 3,-0.2 -0.014 68.1-147.8 -43.6 121.7 43.7 74.6 26.3 17 94 A F H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.905 93.8 54.1 -60.7 -50.6 41.0 72.1 27.3 18 95 A S H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.829 107.5 52.7 -59.9 -33.0 39.8 73.9 30.5 19 96 A K H > S+ 0 0 87 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.913 108.0 50.2 -65.5 -41.9 39.2 77.0 28.4 20 97 A V H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.927 111.9 49.3 -58.5 -43.2 37.2 74.9 26.0 21 98 A V H X S+ 0 0 5 -4,-2.7 4,-3.7 2,-0.2 5,-0.2 0.948 111.5 47.4 -59.7 -52.5 35.2 73.6 29.0 22 99 A E H X S+ 0 0 51 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.947 111.4 52.2 -52.0 -55.9 34.6 77.2 30.4 23 100 A D H < S+ 0 0 72 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.903 115.1 41.2 -42.7 -53.9 33.5 78.3 26.9 24 101 A L H >< S+ 0 0 4 -4,-2.5 14,-1.7 1,-0.2 3,-1.3 0.937 114.7 50.9 -64.1 -48.4 31.0 75.4 26.8 25 102 A Y H 3< S+ 0 0 40 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.727 113.3 45.2 -61.7 -26.1 29.9 75.8 30.4 26 103 A R T 3< S+ 0 0 141 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.378 84.1 138.7-101.3 1.3 29.2 79.6 30.0 27 104 A Y < - 0 0 43 -3,-1.3 9,-1.6 -4,-0.3 2,-0.4 -0.092 31.8-167.9 -54.9 144.0 27.4 79.2 26.6 28 105 A V E -A 35 0A 70 7,-0.2 2,-1.0 8,-0.1 3,-0.1 -1.000 27.6-117.5-138.6 134.6 24.3 81.3 26.0 29 106 A N E >>> -A 34 0A 57 5,-1.9 4,-3.1 -2,-0.4 3,-2.3 -0.608 24.8-159.5 -75.7 99.8 21.7 81.0 23.3 30 107 A A T 345S+ 0 0 85 -2,-1.0 -1,-0.2 1,-0.3 0, 0.0 0.844 87.5 54.4 -50.3 -45.6 22.0 84.3 21.4 31 108 A A T 345S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.543 125.8 24.1 -67.4 -3.7 18.6 84.2 19.7 32 109 A T T <45S- 0 0 89 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.586 89.8-132.9-134.7 -29.0 17.0 83.7 23.1 33 110 A G T <5 + 0 0 58 -4,-3.1 -3,-0.1 1,-0.2 -2,-0.1 0.620 60.2 131.2 72.0 14.9 19.2 85.1 25.8 34 111 A K E < -A 29 0A 138 -5,-0.6 -5,-1.9 2,-0.0 2,-0.3 -0.818 65.9-107.7-101.4 140.4 18.9 82.0 28.1 35 112 A P E -A 28 0A 102 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.476 34.7-175.9 -69.2 122.2 21.9 80.3 29.7 36 113 A A - 0 0 34 -9,-1.6 -9,-0.1 -2,-0.3 2,-0.1 -0.606 7.2-165.6-117.8 70.4 22.5 77.0 27.9 37 114 A P - 0 0 59 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.332 9.9-162.9 -62.9 125.6 25.4 75.3 29.8 38 115 A M S S+ 0 0 50 -14,-1.7 2,-0.3 -17,-0.2 -13,-0.2 0.280 73.1 57.3 -92.5 11.6 26.7 72.4 27.7 39 116 A I S S- 0 0 3 -15,-0.2 94,-0.3 94,-0.2 2,-0.1 -0.990 86.0-112.6-136.3 145.3 28.5 70.9 30.7 40 117 A S > - 0 0 16 92,-1.6 4,-2.3 -2,-0.3 5,-0.1 -0.365 23.5-119.2 -74.4 156.5 27.2 69.7 34.2 41 118 A D H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.974 112.7 56.1 -53.6 -64.2 28.1 71.5 37.5 42 119 A D H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 112.3 39.3 -27.5 -65.5 29.6 68.3 38.8 43 120 A V H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.838 111.8 58.5 -66.3 -35.6 32.2 67.9 35.9 44 121 A Y H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.972 108.4 45.4 -55.4 -54.7 32.8 71.7 35.7 45 122 A N H X S+ 0 0 70 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.888 111.0 53.1 -54.5 -44.6 34.0 71.7 39.3 46 123 A I H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.867 108.7 48.8 -64.1 -38.7 36.1 68.6 38.8 47 124 A V H >< S+ 0 0 1 -4,-2.2 3,-1.0 -3,-0.2 -1,-0.2 0.938 115.7 45.3 -62.9 -44.2 38.0 70.1 35.8 48 125 A M H >< S+ 0 0 53 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.809 107.3 54.8 -73.8 -36.0 38.6 73.3 37.9 49 126 A E T 3< S+ 0 0 117 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.459 125.5 28.1 -69.7 -1.1 39.7 71.6 41.1 50 127 A N T <> S+ 0 0 43 -3,-1.0 4,-1.7 -5,-0.2 3,-0.3 0.055 75.6 141.7-150.5 25.2 42.3 69.9 38.8 51 128 A K H <> S+ 0 0 77 -3,-0.7 4,-2.2 1,-0.2 -33,-0.2 0.819 72.0 47.2 -40.0 -51.0 43.0 72.2 35.9 52 129 A D H > S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.859 109.8 47.0 -76.3 -40.1 46.7 71.6 35.6 53 130 A K H > S+ 0 0 98 -3,-0.3 4,-0.7 2,-0.2 3,-0.4 0.978 117.5 44.6 -58.0 -53.5 47.0 67.8 35.7 54 131 A L H >X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 3,-0.7 0.863 110.4 52.0 -64.9 -43.5 44.2 67.4 33.1 55 132 A N H 3< S+ 0 0 25 -4,-2.2 -1,-0.2 -5,-0.3 3,-0.2 0.834 112.6 45.7 -61.8 -34.2 45.3 70.1 30.7 56 133 A S H 3< S+ 0 0 97 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.493 100.2 70.1 -90.0 -7.6 48.8 68.6 30.5 57 134 A A H << S+ 0 0 29 -3,-0.7 -1,-0.2 -4,-0.7 2,-0.2 0.814 77.9 94.1 -77.3 -31.8 47.6 65.0 30.1 58 135 A I < - 0 0 13 -4,-0.8 2,-0.6 -3,-0.2 34,-0.0 -0.427 58.4-160.4 -69.4 131.4 46.2 65.6 26.5 59 136 A V > - 0 0 63 -2,-0.2 3,-1.4 1,-0.1 4,-0.1 -0.945 1.2-163.3-113.0 106.4 48.5 64.7 23.6 60 137 A Y G > S+ 0 0 47 -2,-0.6 3,-1.0 1,-0.3 31,-0.1 0.518 79.5 74.7 -75.3 -7.3 47.2 66.6 20.5 61 138 A D G > S+ 0 0 124 1,-0.2 3,-2.1 2,-0.1 -1,-0.3 0.766 78.3 77.0 -70.1 -25.3 49.1 64.4 18.0 62 139 A R G X S+ 0 0 48 -3,-1.4 3,-0.8 1,-0.3 -1,-0.2 0.548 75.2 79.1 -64.4 -5.2 46.6 61.7 18.6 63 140 A D G < S+ 0 0 1 -3,-1.0 3,-0.4 1,-0.2 -1,-0.3 0.557 84.1 62.2 -75.6 -10.5 44.2 63.7 16.4 64 141 A F G < S+ 0 0 96 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.449 73.8 90.0 -97.8 -0.9 46.0 62.3 13.3 65 142 A Q S < S+ 0 0 96 -3,-0.8 -1,-0.2 -4,-0.2 2,-0.2 0.391 77.1 97.0 -64.8 3.0 45.1 58.6 14.1 66 143 A Y - 0 0 28 -3,-0.4 472,-0.1 1,-0.1 471,-0.1 -0.588 63.9-132.2-109.4 164.5 42.0 59.3 11.9 67 144 A S > - 0 0 46 470,-0.4 4,-1.2 469,-0.3 5,-0.2 -0.088 31.6 -82.9-104.8-170.6 40.9 58.7 8.3 68 145 A Y H > S+ 0 0 64 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.998 126.6 10.3 -55.9 -80.8 39.4 60.3 5.2 69 146 A F H 4 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.2 470,-0.1 0.404 120.1 77.2 -86.0 9.0 35.7 59.9 6.0 70 147 A G H > S+ 0 0 0 2,-0.2 4,-1.1 3,-0.1 3,-0.4 0.893 98.9 38.7 -77.8 -45.4 36.5 58.9 9.6 71 148 A F H X S+ 0 0 6 -4,-1.2 4,-3.1 -3,-0.3 -2,-0.2 0.880 109.9 60.2 -68.1 -44.0 37.3 62.4 10.8 72 149 A K H X S+ 0 0 120 -4,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.481 102.9 55.3 -69.8 -1.9 34.4 64.0 8.8 73 150 A T H > S+ 0 0 20 -3,-0.4 4,-1.4 2,-0.2 5,-0.5 0.823 108.8 44.5 -88.2 -48.1 32.1 61.7 10.8 74 151 A L H X>S+ 0 0 7 -4,-1.1 5,-2.3 1,-0.2 4,-2.2 0.932 117.7 48.8 -57.4 -46.3 33.4 63.1 14.1 75 152 A E H <5S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.2 0.959 108.8 48.6 -56.0 -59.8 33.1 66.5 12.6 76 153 A R H <5S- 0 0 166 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.653 135.1 -3.4 -70.8 -18.2 29.6 66.4 11.1 77 154 A S H <5S+ 0 0 60 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.475 122.8 54.5-152.0 2.0 27.8 65.1 14.2 78 155 A Y T <5S+ 0 0 13 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.860 80.8 79.2-107.1 -49.2 30.0 64.2 17.2 79 156 A L S > - 0 0 16 -2,-0.4 3,-2.0 -74,-0.1 4,-1.6 -0.680 37.6-103.9 -82.5 150.2 38.9 68.9 19.1 90 167 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.859 123.3 53.4 -39.1 -48.1 38.7 65.1 19.0 91 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.781 104.4 55.9 -61.4 -28.4 40.9 64.9 22.1 92 169 A H H <> S+ 0 0 1 -3,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.920 104.9 51.4 -71.3 -45.9 38.5 67.2 24.0 93 170 A L H X S+ 0 0 8 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.958 111.6 48.9 -47.3 -58.0 35.6 65.0 23.3 94 171 A I H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.898 110.3 48.2 -53.7 -50.1 37.5 62.0 24.7 95 172 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.882 110.4 53.0 -64.1 -37.5 38.7 63.8 27.9 96 173 A R H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 3,-0.4 0.947 108.1 49.9 -59.4 -50.1 35.1 65.0 28.6 97 174 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.910 106.7 56.3 -55.2 -45.3 33.8 61.4 28.3 98 175 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.847 112.6 41.0 -57.7 -37.2 36.5 60.1 30.7 99 176 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.872 108.0 59.2 -78.4 -41.9 35.4 62.6 33.4 100 177 A G H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 114.5 41.1 -52.3 -36.0 31.7 62.1 32.8 101 178 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.929 122.8 33.1 -78.0 -47.0 32.3 58.5 33.6 102 179 A H H >< S- 0 0 7 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.666 74.8-172.0 -96.7 -18.8 34.7 58.6 36.5 103 180 A G T 3< S- 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 6,-0.1 -0.390 73.7 -3.4 61.9-133.9 33.9 61.7 38.7 104 181 A R T 3 S+ 0 0 146 1,-0.1 2,-1.8 -2,-0.1 -1,-0.2 0.510 108.3 99.0 -70.3 -8.1 36.5 62.5 41.5 105 182 A D <> + 0 0 70 -3,-1.3 4,-1.8 1,-0.2 -1,-0.1 -0.618 47.8 170.0 -80.7 81.8 38.5 59.4 40.6 106 183 A I H > + 0 0 20 -2,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.851 69.8 60.2 -66.2 -36.4 41.1 61.2 38.6 107 184 A E H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.955 108.1 44.3 -58.5 -50.2 43.4 58.2 38.3 108 185 A A H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 109.6 58.8 -57.1 -42.4 40.6 56.2 36.5 109 186 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.882 106.8 45.1 -55.0 -43.6 39.9 59.2 34.4 110 187 A L H X S+ 0 0 23 -4,-2.1 4,-2.3 -3,-0.3 -1,-0.2 0.857 109.9 55.0 -74.6 -35.4 43.4 59.4 32.9 111 188 A E H X S+ 0 0 84 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.930 110.3 46.0 -58.3 -50.1 43.6 55.7 32.3 112 189 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.951 109.6 55.0 -60.0 -50.5 40.4 55.8 30.2 113 190 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.923 108.6 47.6 -49.6 -54.2 41.6 58.9 28.3 114 191 A N H X S+ 0 0 60 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.909 110.7 48.6 -56.1 -49.9 44.8 57.3 27.2 115 192 A L H <>S+ 0 0 22 -4,-1.8 5,-2.5 1,-0.2 6,-0.7 0.811 114.4 47.1 -66.4 -27.9 43.4 54.0 25.9 116 193 A M H ><5S+ 0 0 10 -4,-2.0 3,-1.5 -3,-0.3 -2,-0.2 0.932 109.3 52.2 -77.2 -46.0 40.7 55.8 23.9 117 194 A S H 3<5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.907 110.1 49.9 -50.1 -49.0 43.1 58.4 22.3 118 195 A L T 3<5S- 0 0 69 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.502 118.0-117.2 -72.6 -5.0 45.3 55.5 21.2 119 196 A K T < 5S+ 0 0 20 -3,-1.5 256,-0.2 2,-0.2 -3,-0.2 0.749 71.4 136.4 73.6 27.9 42.1 53.7 19.7 120 197 A Y S > - 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0 0 13 -4,-1.3 2,-0.6 -3,-0.3 -274,-0.2 -0.402 63.5-129.7 -71.5 146.0 23.4 57.9 33.9 412 489 A Y - 0 0 91 -276,-4.1 -273,-0.2 -2,-0.1 -274,-0.1 -0.901 22.1-146.1 -94.4 121.0 20.3 60.0 33.7 413 490 A Y - 0 0 27 -2,-0.6 -276,-0.1 1,-0.1 6,-0.1 -0.775 7.2-150.9 -91.7 127.2 17.3 57.9 33.0 414 491 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.735 84.5 28.8 -67.2 -22.0 14.5 59.4 30.8 415 492 A V S >> S- 0 0 11 -52,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.988 76.3-126.3-141.7 145.1 11.8 57.3 32.6 416 493 A E H 3> S+ 0 0 117 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.780 107.0 65.3 -63.5 -29.3 11.5 55.8 36.1 417 494 A E H 3> S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -54,-1.3 0.866 103.7 49.3 -58.2 -36.9 10.9 52.2 34.7 418 495 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -56,-0.2 5,-0.2 0.932 109.1 49.2 -68.5 -46.0 14.4 52.4 33.4 419 496 A R H X S+ 0 0 106 -4,-1.3 4,-2.0 1,-0.2 5,-0.2 0.890 111.8 49.3 -64.4 -40.3 16.1 53.6 36.7 420 497 A K H X S+ 0 0 65 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.928 112.1 49.7 -60.8 -46.4 14.3 50.8 38.7 421 498 A S H X S+ 0 0 3 -4,-1.6 4,-2.0 -58,-0.2 5,-0.4 0.955 114.1 42.0 -59.8 -54.9 15.4 48.2 36.2 422 499 A N H X S+ 0 0 0 -4,-2.5 4,-1.9 -59,-0.3 -1,-0.2 0.878 110.2 54.8 -64.5 -41.0 19.1 49.1 36.1 423 500 A M H < S+ 0 0 65 -4,-2.0 58,-0.4 -5,-0.2 -1,-0.2 0.843 113.6 43.8 -66.0 -30.7 19.7 49.7 39.8 424 501 A R H < S+ 0 0 86 -4,-1.4 58,-0.8 -3,-0.3 -2,-0.2 0.902 131.1 16.5 -75.7 -44.6 18.4 46.3 40.6 425 502 A H H < S- 0 0 4 -4,-2.0 98,-2.3 -5,-0.2 99,-0.2 0.740 77.1-154.0-109.3 -29.7 20.1 44.2 37.9 426 503 A R < - 0 0 4 -4,-1.9 98,-0.4 -5,-0.4 -4,-0.1 0.881 19.0-172.1 57.8 47.6 23.0 46.2 36.5 427 504 A P - 0 0 2 0, 0.0 -60,-0.3 0, 0.0 2,-0.3 -0.294 1.4-170.1 -68.0 165.1 23.4 44.7 33.0 428 505 A I - 0 0 0 96,-0.4 2,-0.4 -62,-0.1 -60,-0.1 -0.967 9.7-148.6-156.5 146.2 26.3 45.7 30.7 429 506 A A E +d 368 0C 0 -62,-1.7 -60,-1.7 -2,-0.3 2,-0.3 -0.882 12.7 178.3-139.9 115.4 27.3 45.2 27.1 430 507 A L E +de 369 526C 2 95,-1.3 97,-1.8 -2,-0.4 -60,-0.2 -0.831 12.9 160.7-105.8 144.5 30.7 44.8 25.4 431 508 A G E -d 370 0C 3 -62,-2.3 -60,-2.7 -2,-0.3 2,-0.3 -0.668 22.4-119.6-144.4-158.0 31.4 44.2 21.7 432 509 A V E -d 371 0C 1 -62,-0.3 2,-0.3 97,-0.3 -60,-0.2 -0.919 11.1-167.2-149.2 162.8 34.0 44.4 19.0 433 510 A Q E +d 372 0C 0 -62,-1.4 -60,-2.3 -2,-0.3 109,-0.1 -0.975 64.3 44.8-149.7 160.6 35.1 45.8 15.6 434 511 A G > + 0 0 0 107,-1.5 4,-2.9 109,-0.6 110,-0.1 0.728 57.3 139.5 80.0 25.5 37.8 45.2 13.0 435 512 A L H > S+ 0 0 0 108,-1.4 4,-2.8 106,-0.3 5,-0.1 0.941 75.5 48.2 -60.4 -49.3 37.6 41.4 12.9 436 513 A A H > S+ 0 0 3 109,-0.4 4,-3.7 107,-0.4 5,-0.2 0.913 113.0 47.9 -61.2 -45.5 38.0 41.4 9.1 437 514 A D H > S+ 0 0 12 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.931 109.9 52.7 -58.3 -48.9 40.9 43.7 9.3 438 515 A T H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.929 114.1 43.4 -51.5 -45.6 42.4 41.5 12.1 439 516 A F H <>S+ 0 0 3 -4,-2.8 5,-2.1 2,-0.2 3,-0.4 0.970 116.0 47.2 -64.9 -51.4 42.0 38.6 9.7 440 517 A M H ><5S+ 0 0 15 -4,-3.7 3,-1.1 1,-0.2 -2,-0.2 0.882 112.7 49.3 -57.1 -41.0 43.4 40.5 6.7 441 518 A L H 3<5S+ 0 0 77 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.3 50.0 -72.0 -30.3 46.3 41.8 8.7 442 519 A L T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.327 114.5-116.5 -92.8 8.0 47.2 38.4 10.0 443 520 A R T < 5 + 0 0 101 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.697 70.0 136.4 67.5 24.4 47.1 36.9 6.5 444 521 A L < - 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