==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-05 2CVS . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,C.FABER,T.UCHIKI,J.W.FAIRMAN,J.RACCA,C.DEALWIS . 657 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.4 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 . 2 0.3 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 . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 1 2 3 1 2 3 3 1 2 2 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 5 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 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 76 A T 0 0 142 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -14.9 45.4 59.5 0.8 2 77 A L >> + 0 0 129 1,-0.2 3,-1.2 2,-0.1 4,-1.0 0.654 360.0 78.0 -83.0 -18.1 47.8 62.5 1.5 3 78 A A H 3> S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.705 82.4 67.9 -60.6 -20.6 44.8 64.9 1.4 4 79 A A H 3> S+ 0 0 16 -3,-0.5 4,-2.2 2,-0.2 5,-0.3 0.751 92.9 56.6 -73.5 -28.3 44.1 63.6 5.0 5 80 A R H <> S+ 0 0 144 -3,-1.2 4,-4.1 2,-0.2 5,-0.2 0.974 113.0 40.4 -61.7 -54.8 47.2 65.3 6.4 6 81 A I H X S+ 0 0 111 -4,-1.0 4,-2.2 2,-0.2 5,-0.3 0.793 113.9 54.9 -63.8 -31.9 46.0 68.7 5.0 7 82 A A H X S+ 0 0 32 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.929 120.5 30.4 -69.0 -47.1 42.4 67.9 6.1 8 83 A I H X S+ 0 0 4 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.963 120.5 53.8 -68.4 -57.3 43.5 67.3 9.7 9 84 A S H < S+ 0 0 43 -4,-4.1 4,-0.5 -5,-0.3 -3,-0.2 0.831 112.8 42.5 -49.6 -46.2 46.4 69.7 9.6 10 85 A N H >< S+ 0 0 68 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.954 119.1 41.7 -68.8 -51.5 44.3 72.7 8.4 11 86 A L H 3< S+ 0 0 60 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.525 104.8 70.4 -75.0 -3.0 41.3 72.0 10.7 12 87 A H T 3< S+ 0 0 29 -4,-1.3 -1,-0.3 -6,-0.2 3,-0.2 0.706 105.5 39.1 -74.5 -25.3 44.1 71.3 13.3 13 88 A K S < S+ 0 0 148 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.406 99.3 70.0-110.9 -0.5 44.8 75.1 13.3 14 89 A Q S S+ 0 0 102 -4,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.069 97.6 78.3 -91.3 21.8 41.2 76.5 13.0 15 90 A T S S- 0 0 18 -3,-0.2 74,-0.1 0, 0.0 75,-0.1 -0.997 89.0-110.0-144.2 127.2 40.9 75.2 16.6 16 91 A T - 0 0 64 -2,-0.4 75,-0.2 73,-0.1 6,-0.1 -0.292 27.1-151.5 -52.1 136.4 42.0 76.3 20.1 17 92 A K + 0 0 111 -4,-0.1 2,-0.4 4,-0.0 -1,-0.1 0.872 69.6 86.7 -87.9 -40.7 44.8 73.9 21.3 18 93 A Q >> - 0 0 94 1,-0.2 4,-1.6 2,-0.1 3,-0.7 -0.494 69.5-148.5 -64.8 117.0 44.4 74.0 25.1 19 94 A F H 3> S+ 0 0 3 -2,-0.4 4,-2.2 1,-0.3 3,-0.2 0.904 95.8 54.7 -54.7 -44.8 41.8 71.3 25.9 20 95 A S H 3> S+ 0 0 0 1,-0.2 4,-2.2 33,-0.2 -1,-0.3 0.817 104.3 55.2 -61.3 -29.9 40.5 73.3 28.9 21 96 A K H <> S+ 0 0 79 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.894 106.1 49.6 -75.0 -37.0 39.9 76.3 26.7 22 97 A V H X S+ 0 0 3 -4,-1.6 4,-3.1 -3,-0.2 5,-0.3 0.919 111.2 50.6 -62.7 -41.3 37.7 74.3 24.3 23 98 A V H X S+ 0 0 5 -4,-2.2 4,-3.6 2,-0.2 -2,-0.2 0.910 109.5 52.1 -61.5 -41.2 35.7 73.0 27.3 24 99 A E H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.966 111.7 44.7 -57.3 -57.4 35.4 76.6 28.5 25 100 A D H X S+ 0 0 61 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.932 117.1 44.9 -52.6 -54.4 34.0 77.7 25.2 26 101 A L H < S+ 0 0 1 -4,-3.1 14,-1.8 1,-0.2 3,-0.5 0.914 113.1 51.2 -59.6 -43.0 31.7 74.7 24.9 27 102 A Y H < S+ 0 0 40 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.875 117.0 41.5 -58.3 -34.6 30.6 75.2 28.5 28 103 A R H < S+ 0 0 145 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.570 83.0 135.4 -93.2 -13.6 29.9 78.9 27.8 29 104 A Y < - 0 0 44 -4,-1.5 9,-2.5 -3,-0.5 2,-0.4 0.052 33.9-164.3 -48.3 138.5 28.2 78.6 24.4 30 105 A V E -A 37 0A 69 7,-0.3 2,-1.2 8,-0.1 3,-0.1 -0.982 27.6-117.9-127.9 138.4 25.1 80.6 23.8 31 106 A N E >>> -A 36 0A 63 5,-3.0 4,-2.2 -2,-0.4 3,-2.1 -0.653 26.9-162.8 -72.6 96.8 22.6 80.2 21.0 32 107 A A T 345S+ 0 0 85 -2,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.888 84.3 61.0 -52.1 -39.1 23.0 83.6 19.3 33 108 A A T 345S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.618 124.0 15.7 -67.8 -13.5 19.7 83.2 17.5 34 109 A T T <45S- 0 0 72 -3,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.391 94.6-123.6-139.7 -4.9 17.7 83.0 20.7 35 110 A G T <5 + 0 0 55 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.664 64.8 137.9 58.7 19.9 20.0 84.3 23.5 36 111 A K E < -A 31 0A 136 -5,-0.7 -5,-3.0 2,-0.0 2,-0.3 -0.792 61.7-113.4 -90.5 135.4 19.5 81.0 25.4 37 112 A P E -A 30 0A 103 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.539 29.7-167.1 -63.8 129.6 22.6 79.5 27.0 38 113 A A - 0 0 33 -9,-2.5 -9,-0.2 -2,-0.3 -8,-0.1 -0.630 5.5-166.9-122.1 71.8 23.4 76.2 25.2 39 114 A P - 0 0 57 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.337 12.0-172.6 -60.8 133.0 26.0 74.5 27.3 40 115 A M S S+ 0 0 56 -14,-1.8 2,-0.3 -17,-0.2 -13,-0.2 0.389 71.5 59.5-106.4 -0.3 27.6 71.6 25.5 41 116 A I S S- 0 0 1 -15,-0.4 94,-0.3 94,-0.2 2,-0.1 -0.934 88.1-115.0-121.8 148.1 29.5 70.4 28.6 42 117 A S > - 0 0 19 92,-2.1 4,-3.0 -2,-0.3 5,-0.2 -0.480 20.1-120.0 -80.9 154.7 27.9 69.3 31.9 43 118 A D H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.953 116.5 51.6 -52.6 -50.8 28.3 71.2 35.2 44 119 A D H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 112.9 41.5 -52.1 -51.4 29.8 68.1 36.6 45 120 A V H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 112.5 55.2 -75.9 -33.7 32.4 67.5 33.8 46 121 A Y H X S+ 0 0 22 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.973 107.5 48.3 -56.4 -58.5 33.3 71.2 33.5 47 122 A N H X S+ 0 0 65 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.898 110.3 53.3 -51.0 -43.0 34.2 71.5 37.3 48 123 A I H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 4,-0.2 0.918 109.3 47.8 -61.7 -43.0 36.3 68.3 36.9 49 124 A V H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.933 113.1 47.5 -65.0 -42.6 38.3 69.7 34.0 50 125 A M H >< S+ 0 0 39 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.911 110.1 52.0 -65.5 -42.9 38.9 73.0 35.8 51 126 A E T 3< S+ 0 0 126 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.415 125.1 28.8 -71.7 2.4 40.0 71.3 39.0 52 127 A N T <> S+ 0 0 41 -3,-1.4 4,-2.2 -4,-0.2 -1,-0.2 0.150 76.2 134.8-146.8 18.3 42.4 69.2 36.9 53 128 A K H <> S+ 0 0 69 -3,-1.1 4,-2.8 1,-0.2 -33,-0.2 0.736 72.8 46.8 -57.6 -31.8 43.4 71.4 34.0 54 129 A D H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.969 113.8 45.3 -75.6 -54.6 47.2 70.8 34.0 55 130 A K H 4 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.875 120.5 44.7 -47.4 -42.8 47.1 67.0 34.4 56 131 A L H >X S+ 0 0 0 -4,-2.2 3,-0.8 -7,-0.2 4,-0.6 0.947 113.1 45.9 -75.7 -49.8 44.4 67.0 31.7 57 132 A N H >< S+ 0 0 26 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.871 116.5 45.2 -60.0 -40.3 45.9 69.5 29.1 58 133 A S T 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.428 101.1 67.0 -90.5 -2.1 49.4 67.9 29.2 59 134 A A T <4 S+ 0 0 28 -3,-0.8 2,-0.6 -4,-0.4 -1,-0.2 0.677 80.7 98.9 -81.0 -20.3 48.2 64.3 29.0 60 135 A I << - 0 0 13 -3,-0.6 2,-1.2 -4,-0.6 -41,-0.1 -0.586 59.1-160.4 -86.3 113.6 46.9 64.9 25.5 61 136 A V > - 0 0 54 -2,-0.6 3,-2.3 1,-0.1 4,-0.2 -0.714 5.5-169.7 -87.9 87.6 49.2 63.8 22.7 62 137 A Y G > S+ 0 0 20 -2,-1.2 3,-1.1 1,-0.3 -1,-0.1 0.592 76.2 77.3 -57.7 -12.1 47.8 65.9 19.8 63 138 A D G > S+ 0 0 122 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.787 77.0 74.1 -63.5 -30.7 49.9 63.8 17.3 64 139 A R G X S+ 0 0 45 -3,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.610 72.4 84.1 -64.3 -11.1 47.4 61.0 17.6 65 140 A D G < S+ 0 0 0 -3,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.650 85.4 57.4 -64.9 -16.2 45.0 63.1 15.4 66 141 A F G < S+ 0 0 71 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.453 80.5 87.7 -91.8 -3.1 46.8 61.7 12.3 67 142 A Q S < S+ 0 0 86 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.2 0.316 73.6 97.7 -70.0 8.6 46.0 58.1 13.5 68 143 A Y S S- 0 0 16 -3,-0.4 466,-0.1 1,-0.1 -60,-0.1 -0.863 72.1-126.7-110.5 138.7 42.8 58.6 11.5 69 144 A S > - 0 0 25 464,-0.4 4,-1.3 -2,-0.4 5,-0.2 0.283 37.9 -75.5 -69.4-168.5 42.2 57.4 8.0 70 145 A Y H >> S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.959 127.9 6.5 -50.2 -92.5 41.0 59.0 4.8 71 146 A F H 3> S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.493 115.8 87.3 -77.4 -1.6 37.3 59.5 5.4 72 147 A G H >> S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.961 95.5 38.0 -55.5 -55.2 37.8 58.2 8.9 73 148 A F H S+ 0 0 23 -4,-1.2 4,-2.2 -3,-0.6 5,-0.5 0.898 110.9 43.0 -75.5 -45.8 33.3 61.1 9.6 76 151 A L H X>S+ 0 0 5 -4,-1.3 5,-2.1 2,-0.2 4,-1.7 0.924 114.8 51.6 -57.0 -47.6 34.4 62.6 12.9 77 152 A E H <5S+ 0 0 27 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.935 112.1 46.8 -58.2 -48.6 34.5 66.0 11.1 78 153 A R H <5S- 0 0 156 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.935 134.4 -4.3 -59.6 -53.8 31.0 65.5 9.7 79 154 A S H <5S+ 0 0 57 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.566 122.9 48.8-128.2 -12.7 29.0 64.3 12.8 80 155 A Y T < - 0 0 15 -2,-0.3 4,-2.0 -75,-0.2 3,-0.4 -0.503 38.7-101.4 -77.1 162.5 39.8 68.3 17.9 92 167 A P H > S+ 0 0 6 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 125.0 54.2 -51.3 -43.8 39.6 64.5 17.9 93 168 A Q H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.818 105.8 52.6 -65.0 -30.4 41.7 64.4 21.0 94 169 A H H > S+ 0 0 1 -3,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.910 107.4 52.4 -69.3 -42.8 39.3 66.7 22.8 95 170 A L H X S+ 0 0 6 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.945 111.0 46.8 -53.2 -52.7 36.4 64.4 21.8 96 171 A I H X S+ 0 0 6 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.891 114.2 46.8 -62.8 -37.8 38.2 61.4 23.3 97 172 A M H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.947 112.8 49.1 -70.9 -47.0 39.1 63.3 26.5 98 173 A R H X S+ 0 0 4 -4,-3.3 4,-3.2 2,-0.2 -2,-0.2 0.929 114.5 45.5 -53.6 -50.4 35.6 64.6 26.9 99 174 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.941 112.4 52.4 -58.9 -47.4 34.3 61.0 26.4 100 175 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.920 115.7 39.0 -55.4 -47.4 36.9 59.6 28.7 101 176 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.887 110.5 60.5 -71.4 -37.7 35.9 62.1 31.5 102 177 A G H < S+ 0 0 2 -4,-3.2 32,-0.3 -5,-0.3 -2,-0.2 0.873 114.6 36.6 -58.0 -38.4 32.3 61.7 30.6 103 178 A I H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.951 124.6 38.7 -72.3 -51.9 32.6 58.1 31.4 104 179 A H H >< S- 0 0 6 -4,-2.9 3,-1.6 -5,-0.2 -2,-0.2 0.521 75.5-174.9 -90.9 -6.6 35.0 58.3 34.3 105 180 A G T 3< S- 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 6,-0.1 -0.209 74.5 -5.7 52.1-131.5 34.0 61.3 36.4 106 181 A R T 3 S+ 0 0 135 1,-0.2 2,-3.2 2,-0.1 -1,-0.3 0.743 108.2 101.0 -66.1 -22.3 36.5 62.1 39.3 107 182 A D <> + 0 0 80 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 -0.293 47.4 171.7 -67.3 71.3 38.4 58.9 38.6 108 183 A I H > S+ 0 0 17 -2,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.778 72.1 56.2 -55.5 -33.6 41.1 60.8 36.8 109 184 A E H > S+ 0 0 121 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.988 110.4 42.8 -59.6 -60.2 43.3 57.6 36.6 110 185 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.907 114.6 52.3 -53.1 -44.9 40.6 55.6 34.8 111 186 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.930 109.7 48.2 -57.4 -49.6 39.9 58.6 32.6 112 187 A L H X S+ 0 0 25 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.831 112.7 48.1 -60.9 -39.8 43.5 59.0 31.6 113 188 A E H X S+ 0 0 89 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.950 111.8 47.8 -69.1 -52.4 43.9 55.4 30.7 114 189 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.877 109.4 56.4 -53.1 -39.7 40.8 55.2 28.7 115 190 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.922 111.7 43.2 -58.1 -42.6 42.0 58.4 27.0 116 191 A N H X S+ 0 0 56 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.951 114.6 44.5 -69.8 -52.3 45.2 56.6 26.0 117 192 A L H <>S+ 0 0 21 -4,-2.9 5,-2.9 1,-0.2 6,-0.5 0.907 117.6 47.1 -62.6 -40.2 43.9 53.3 24.9 118 193 A M H ><5S+ 0 0 6 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.916 111.8 49.7 -63.5 -44.5 41.1 55.0 22.9 119 194 A S H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.710 109.2 51.7 -70.6 -24.3 43.5 57.5 21.3 120 195 A L T 3<5S- 0 0 61 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.208 119.3-116.8 -92.4 5.2 45.9 54.7 20.3 121 196 A K T < 5S+ 0 0 30 -3,-1.6 -3,-0.2 2,-0.2 250,-0.2 0.771 72.5 135.1 63.8 35.8 42.8 53.1 18.7 122 197 A Y S > - 0 0 11 238,-1.8 4,-1.9 -2,-0.2 3,-1.0 -0.204 47.2-101.2 -61.7 155.3 29.3 53.4 20.5 127 202 A S H 3> S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 120.0 53.8 -42.8 -55.2 28.2 56.6 18.6 128 203 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.843 108.7 51.2 -55.4 -33.0 25.7 57.9 21.2 129 204 A T H <> S+ 0 0 2 -3,-1.0 4,-2.4 11,-0.5 -2,-0.2 0.923 111.1 47.6 -67.8 -44.1 28.5 57.7 23.8 130 205 A L H < S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.791 118.1 41.6 -66.8 -33.0 30.8 59.7 21.5 131 206 A F H < S+ 0 0 71 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 128.9 24.5 -72.4 -48.7 28.2 62.3 20.8 132 207 A N H >< S+ 0 0 41 -4,-2.5 3,-2.1 7,-0.3 -3,-0.2 0.636 82.5 116.8-106.2 -21.6 26.8 62.7 24.3 133 208 A A T 3< S+ 0 0 0 -4,-2.4 -31,-0.1 -5,-0.3 -30,-0.1 -0.294 88.5 15.0 -54.5 130.7 29.4 61.6 26.9 134 209 A G T 3 S+ 0 0 2 1,-0.3 -92,-2.1 -32,-0.3 -1,-0.3 0.469 103.3 116.9 86.9 4.8 30.3 64.6 29.1 135 210 A T S < S- 0 0 15 -3,-2.1 -1,-0.3 -94,-0.3 -94,-0.2 -0.621 82.4 -95.8-107.7 161.0 27.3 66.7 28.0 136 211 A P S S+ 0 0 62 0, 0.0 -96,-0.1 0, 0.0 -92,-0.1 0.799 123.2 31.3 -45.4 -41.5 24.3 68.1 30.0 137 212 A K S S- 0 0 110 -5,-0.1 2,-1.8 2,-0.1 271,-0.1 -0.736 83.8-164.4-118.6 84.1 22.1 65.2 29.0 138 213 A P + 0 0 29 0, 0.0 270,-2.6 0, 0.0 2,-1.1 -0.445 15.6 170.9 -79.1 80.5 24.5 62.3 28.7 139 214 A Q + 0 0 3 -2,-1.8 -7,-0.3 268,-0.2 -6,-0.1 -0.779 5.1 165.1 -90.1 101.1 22.6 59.6 26.8 140 215 A M + 0 0 2 -2,-1.1 -11,-0.5 263,-0.2 2,-0.3 0.558 41.0 93.5 -99.6 -5.9 25.4 57.2 26.1 141 216 A S - 0 0 1 267,-0.3 222,-0.2 -13,-0.2 267,-0.0 -0.710 57.6-152.8-102.5 134.8 23.3 54.2 25.2 142 217 A S + 0 0 27 220,-0.7 -1,-0.2 -2,-0.3 221,-0.1 0.951 64.3 11.2 -66.9 -90.7 22.3 53.1 21.6 143 218 A a - 0 0 8 28,-0.2 219,-1.7 30,-0.0 2,-0.3 -0.147 56.4-147.7 -96.2-178.7 19.1 51.2 21.5 144 219 A F E -fG 173 361D 0 28,-1.7 30,-2.1 217,-0.2 2,-0.7 -0.991 12.0-139.1-147.8 132.9 16.2 50.2 23.8 145 220 A L E -fG 174 360D 0 215,-3.4 215,-1.5 -2,-0.3 2,-0.4 -0.898 28.2-164.0-101.3 115.6 14.1 47.1 24.0 146 221 A V E -f 175 0D 0 28,-2.6 30,-1.7 -2,-0.7 2,-0.3 -0.826 12.0-145.7-107.6 134.0 10.5 48.0 24.6 147 222 A A E -f 176 0D 2 208,-0.5 2,-0.6 -2,-0.4 30,-0.1 -0.690 26.6-117.8 -82.7 139.9 7.5 45.9 25.7 148 223 A M - 0 0 4 28,-1.0 8,-0.1 -2,-0.3 3,-0.1 -0.744 31.9-142.3 -74.0 119.7 4.0 46.6 24.5 149 224 A K - 0 0 42 -2,-0.6 2,-0.3 6,-0.5 -1,-0.1 0.781 60.3 -30.1 -63.6 -35.4 2.4 47.5 27.8 150 225 A E - 0 0 107 2,-0.2 2,-1.4 206,-0.1 -1,-0.2 -0.920 63.4 -98.3-179.6 153.8 -1.1 45.9 27.5 151 226 A D S S+ 0 0 33 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.595 88.6 84.3 -93.9 78.3 -3.6 45.2 24.6 152 227 A S S > S- 0 0 36 -2,-1.4 4,-3.2 1,-0.1 5,-0.2 -0.953 92.8 -96.4-167.3 158.6 -5.8 48.2 25.1 153 228 A I H > S+ 0 0 125 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.890 124.1 51.9 -54.3 -42.2 -5.9 51.9 24.0 154 229 A E H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 114.1 41.5 -62.8 -47.0 -4.4 52.9 27.3 155 230 A G H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -6,-0.5 0.929 115.1 50.5 -68.5 -46.1 -1.5 50.4 27.0 156 231 A I H X S+ 0 0 18 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.940 114.2 43.7 -53.9 -52.2 -0.9 51.1 23.3 157 232 A Y H X S+ 0 0 121 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.762 111.9 52.9 -70.8 -26.6 -0.8 54.9 23.8 158 233 A D H X S+ 0 0 55 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.909 112.4 45.8 -71.4 -40.3 1.4 54.7 26.9 159 234 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.943 112.8 50.1 -61.5 -47.6 3.8 52.5 24.9 160 235 A L H X S+ 0 0 15 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.910 110.1 51.0 -57.9 -41.1 3.5 55.0 22.0 161 236 A K H X S+ 0 0 115 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.930 109.8 50.3 -60.6 -48.1 4.2 57.8 24.5 162 237 A E H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.886 110.1 49.1 -54.6 -43.9 7.3 55.9 25.7 163 238 A C H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.831 110.1 52.1 -72.2 -28.9 8.6 55.5 22.2 164 239 A A H X S+ 0 0 27 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.954 109.7 47.4 -70.4 -50.4 8.1 59.1 21.5 165 240 A L H X S+ 0 0 74 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.926 119.3 41.6 -52.0 -48.1 10.1 60.2 24.6 166 241 A I H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.948 112.4 52.9 -63.5 -51.1 12.8 57.7 23.6 167 242 A S H >< S+ 0 0 3 -4,-3.3 3,-1.3 1,-0.2 -1,-0.2 0.703 97.4 70.1 -62.0 -21.0 12.7 58.5 19.9 168 243 A K H 3< S+ 0 0 128 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.993 102.6 40.0 -55.7 -63.4 13.2 62.1 20.8 169 244 A T T 3< S- 0 0 41 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.239 116.6-129.9 -70.8 16.4 16.8 61.6 21.9 170 245 A A < + 0 0 41 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.1 -0.124 54.6 131.9 56.2-160.1 17.0 59.2 18.8 171 246 A G - 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