==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 08-NOV-00 1G6W . COMPND 2 MOLECULE: URE2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR L.BOUSSET,H.BELRHALI,J.JANIN,R.MELKI,S.MORERA . 990 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 3.7 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 . 56 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 12 0 6 0 3 0 2 4 8 0 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 5 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 . 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 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 1 100 A S > 0 0 119 0, 0.0 3,-2.4 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 21.3 -8.7 5.2 63.5 2 101 A R T 3 + 0 0 162 1,-0.3 3,-0.2 2,-0.2 4,-0.2 0.807 360.0 64.5 -52.5 -31.0 -10.5 8.1 65.2 3 102 A I T >> S+ 0 0 9 1,-0.2 4,-1.1 2,-0.1 3,-0.9 0.707 86.5 76.4 -66.7 -22.0 -12.0 8.8 61.8 4 103 A T G X4 S+ 0 0 38 -3,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.965 92.0 44.7 -56.3 -65.0 -13.8 5.4 61.9 5 104 A K G >4 S+ 0 0 147 -4,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.493 104.8 69.6 -63.0 0.9 -16.7 6.1 64.3 6 105 A F G X4 S+ 0 0 41 -3,-0.9 3,-0.8 1,-0.2 2,-0.5 0.864 97.1 48.5 -83.1 -39.7 -17.2 9.3 62.3 7 106 A F G << S+ 0 0 60 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.1 -0.264 109.6 54.5 -93.3 45.4 -18.4 7.4 59.2 8 107 A Q G < S+ 0 0 123 -3,-0.5 -1,-0.2 -2,-0.5 -2,-0.2 0.255 116.3 32.2-150.8 -7.7 -20.9 5.4 61.4 9 108 A E S < S+ 0 0 163 -3,-0.8 -2,-0.1 -4,-0.2 -4,-0.1 -0.255 82.9 169.8-149.3 45.9 -22.7 8.3 63.0 10 109 A Q - 0 0 38 1,-0.1 -3,-0.1 2,-0.1 -4,-0.0 -0.298 38.3 -99.2 -64.8 145.7 -22.5 10.9 60.2 11 110 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 -0.021 20.7-122.7 -59.9 168.9 -24.7 14.1 60.6 12 111 A L S S- 0 0 167 63,-0.0 2,-0.2 64,-0.0 63,-0.2 0.791 86.7 -14.0 -83.7 -32.5 -28.0 14.6 58.8 13 112 A E S S+ 0 0 138 60,-0.1 59,-0.1 61,-0.1 -1,-0.0 -0.718 95.5 68.8-148.4-162.1 -27.0 17.8 57.0 14 113 A G S S- 0 0 23 -2,-0.2 58,-1.2 57,-0.1 59,-0.8 -0.229 75.0 -80.5 73.6-166.8 -24.2 20.4 57.0 15 114 A Y E -aB 40 71A 12 24,-1.9 26,-2.9 56,-0.2 2,-0.5 -0.973 20.4-151.9-140.9 153.1 -20.7 19.7 56.0 16 115 A T E -aB 41 70A 0 54,-1.5 54,-2.6 -2,-0.3 2,-0.5 -0.993 15.7-160.1-126.0 121.8 -17.4 18.3 57.3 17 116 A L E -aB 42 69A 2 24,-2.5 26,-2.9 -2,-0.5 2,-0.6 -0.894 3.7-154.5-105.3 129.0 -14.2 19.6 55.9 18 117 A F E +aB 43 68A 0 50,-3.2 50,-1.5 -2,-0.5 2,-0.2 -0.916 36.6 135.6-103.0 122.2 -11.0 17.5 56.3 19 118 A S E -a 44 0A 4 24,-2.4 26,-2.6 -2,-0.6 2,-0.4 -0.785 50.3 -96.6-148.6-170.8 -7.9 19.7 56.2 20 119 A H > - 0 0 67 24,-0.2 3,-2.7 -2,-0.2 6,-0.1 -0.961 43.8-102.5-121.7 141.8 -4.5 20.4 57.8 21 120 A R T 3 S+ 0 0 148 -2,-0.4 25,-0.1 1,-0.3 -1,-0.0 0.628 118.2 12.9 -32.6 -29.4 -3.8 23.1 60.4 22 121 A S T 3 S+ 0 0 87 213,-0.0 -1,-0.3 5,-0.0 3,-0.1 -0.011 82.1 144.5-146.7 39.7 -2.3 25.4 57.7 23 122 A A X> - 0 0 16 -3,-2.7 4,-1.9 1,-0.2 3,-1.0 -0.708 41.1-148.4 -83.3 114.0 -3.2 24.0 54.3 24 123 A P H 3> S+ 0 0 21 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.846 98.4 48.3 -49.5 -39.1 -3.8 26.9 51.9 25 124 A N H 3> S+ 0 0 36 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.772 106.2 56.1 -75.6 -25.1 -6.3 24.9 49.9 26 125 A G H <> S+ 0 0 2 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.839 106.1 52.5 -72.0 -31.9 -8.1 23.8 53.0 27 126 A F H X S+ 0 0 36 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.843 100.8 62.7 -69.3 -31.7 -8.4 27.5 53.7 28 127 A K H X S+ 0 0 2 -4,-1.1 4,-2.1 -5,-0.2 -2,-0.2 0.938 108.1 40.9 -56.7 -50.1 -9.9 27.9 50.2 29 128 A V H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.915 111.2 55.1 -67.3 -44.0 -12.9 25.7 51.2 30 129 A A H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.940 110.0 49.7 -55.9 -44.1 -13.3 27.2 54.6 31 130 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.970 114.2 41.4 -57.1 -58.7 -13.6 30.6 53.0 32 131 A V H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 6,-0.2 0.904 113.7 53.1 -58.1 -44.3 -16.2 29.6 50.4 33 132 A L H <>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 3,-0.5 0.946 114.5 42.9 -56.3 -49.3 -18.2 27.6 52.8 34 133 A S H ><5S+ 0 0 26 -4,-2.5 3,-1.5 -5,-0.3 -2,-0.2 0.903 110.4 55.3 -63.8 -43.3 -18.3 30.6 55.2 35 134 A E H 3<5S+ 0 0 32 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 110.9 46.5 -65.3 -20.3 -19.0 33.0 52.4 36 135 A L T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.352 112.0-116.7-102.7 3.6 -22.0 30.9 51.4 37 136 A G T < 5 + 0 0 53 -3,-1.5 2,-0.2 -4,-0.2 -3,-0.2 0.705 61.2 149.7 71.3 19.2 -23.5 30.5 54.9 38 137 A F < - 0 0 22 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.599 45.6-124.2 -83.4 149.1 -23.1 26.7 54.9 39 138 A H + 0 0 153 -2,-0.2 -24,-1.9 -23,-0.0 2,-0.3 -0.789 38.5 173.3 -95.5 134.5 -22.5 25.1 58.3 40 139 A Y E -a 15 0A 43 -2,-0.4 -24,-0.3 -26,-0.2 2,-0.2 -0.989 31.1-143.6-148.7 151.7 -19.4 22.9 58.7 41 140 A N E -a 16 0A 82 -26,-2.9 -24,-2.5 -2,-0.3 2,-0.4 -0.606 22.8-144.6 -98.6 163.7 -17.2 20.9 61.0 42 141 A T E -a 17 0A 56 -2,-0.2 2,-0.6 -26,-0.2 -24,-0.2 -0.978 11.7-170.8-137.1 123.2 -13.4 20.9 60.5 43 142 A I E -a 18 0A 31 -26,-2.9 -24,-2.4 -2,-0.4 2,-0.6 -0.959 11.4-154.3-114.1 114.8 -11.2 17.9 61.1 44 143 A F E -a 19 0A 56 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.814 10.2-147.1 -92.0 123.2 -7.5 18.5 61.0 45 144 A L - 0 0 2 -26,-2.6 2,-1.2 -2,-0.6 -24,-0.3 -0.745 10.6-134.5 -89.1 133.8 -5.6 15.4 60.1 46 145 A D > > - 0 0 63 -2,-0.4 3,-1.4 1,-0.2 5,-1.0 -0.771 20.7-172.5 -89.8 98.6 -2.1 15.2 61.6 47 146 A F G > 5S+ 0 0 46 -2,-1.2 3,-3.3 1,-0.3 -1,-0.2 0.877 81.4 65.5 -58.4 -39.3 -0.1 14.1 58.6 48 147 A N G 3 5S+ 0 0 157 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.776 105.8 45.6 -55.6 -23.9 3.0 13.5 60.8 49 148 A L G < 5S- 0 0 121 -3,-1.4 -1,-0.3 0, 0.0 -2,-0.2 0.203 118.0-117.1-102.6 13.2 0.9 10.8 62.4 50 149 A G T < 5 + 0 0 21 -3,-3.3 3,-0.4 1,-0.1 -3,-0.2 0.901 64.7 145.4 52.6 51.2 -0.2 9.5 59.0 51 150 A E < + 0 0 41 -5,-1.0 3,-0.3 1,-0.2 -4,-0.1 0.574 66.8 65.5 -90.2 -10.9 -3.9 10.1 59.5 52 151 A H S S+ 0 0 28 1,-0.2 -1,-0.2 -6,-0.2 -5,-0.1 0.469 99.0 54.2 -86.4 -4.6 -4.2 10.9 55.8 53 152 A R S S+ 0 0 166 -3,-0.4 -1,-0.2 -6,-0.1 -2,-0.2 0.453 76.2 122.4-106.4 -6.8 -3.3 7.3 55.0 54 153 A A >> - 0 0 16 -3,-0.3 3,-3.4 1,-0.1 4,-1.7 -0.400 69.5-127.1 -61.6 127.0 -6.1 5.7 57.1 55 154 A P H 3> S+ 0 0 89 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.759 108.9 62.8 -44.4 -33.1 -8.3 3.5 55.0 56 155 A E H 34 S+ 0 0 43 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.695 110.8 38.5 -70.4 -17.2 -11.4 5.3 56.3 57 156 A F H X> S+ 0 0 0 -3,-3.4 3,-1.3 2,-0.2 4,-0.9 0.744 105.7 61.3-101.8 -31.5 -10.0 8.5 54.6 58 157 A V H 3< S+ 0 0 34 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.616 101.8 58.3 -70.1 -8.9 -8.6 7.1 51.4 59 158 A S T 3< S+ 0 0 89 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.631 107.9 45.4 -88.6 -18.9 -12.2 6.1 50.8 60 159 A V T <4 S+ 0 0 5 -3,-1.3 -2,-0.2 1,-0.3 9,-0.2 0.519 137.2 6.9 -97.5 -13.2 -13.0 9.8 51.1 61 160 A N >< - 0 0 2 -4,-0.9 3,-2.6 7,-0.1 -1,-0.3 -0.565 60.0-160.4-172.3 99.4 -10.1 10.7 48.9 62 161 A P T 3 S+ 0 0 21 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.773 95.2 64.3 -56.4 -25.6 -8.0 8.1 47.0 63 162 A N T 3 S- 0 0 14 2,-0.1 3,-0.1 -3,-0.0 -5,-0.1 0.584 99.6-140.1 -75.2 -9.8 -5.3 10.8 46.7 64 163 A A < + 0 0 13 -3,-2.6 2,-0.3 1,-0.2 -12,-0.1 0.899 60.5 113.3 50.1 49.7 -4.9 10.8 50.5 65 164 A R - 0 0 89 15,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.919 59.7 -68.5-141.7 165.3 -4.5 14.6 50.7 66 165 A V S S+ 0 0 28 -2,-0.3 -47,-0.2 -3,-0.1 -41,-0.1 -0.739 86.7 49.3-106.0 157.7 -6.5 17.5 52.0 67 166 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 -48,-0.2 0.573 58.6 159.5 -88.7 168.8 -8.9 19.1 51.6 68 167 A A E -B 18 0A 0 -50,-1.5 -50,-3.2 -2,-0.1 2,-0.4 -0.988 21.1-153.5-145.3 139.3 -11.8 16.8 51.4 69 168 A L E -BC 17 79A 0 10,-3.1 10,-2.6 -2,-0.3 2,-0.7 -0.964 5.1-156.4-123.7 133.0 -15.5 17.7 51.9 70 169 A I E -BC 16 78A 0 -54,-2.6 -54,-1.5 -2,-0.4 2,-1.3 -0.915 7.7-156.4-107.0 111.0 -18.4 15.5 53.1 71 170 A D E > > -BC 15 77A 0 6,-2.7 6,-1.6 -2,-0.7 3,-1.2 -0.719 11.9-175.2 -86.3 93.2 -21.7 16.9 52.0 72 171 A H G >>5S+ 0 0 7 -2,-1.3 3,-1.0 -58,-1.2 4,-0.8 0.876 78.9 60.5 -58.0 -41.8 -23.9 15.1 54.6 73 172 A G G 345S+ 0 0 32 -59,-0.8 -1,-0.3 1,-0.3 2,-0.2 0.750 102.6 55.8 -59.7 -22.7 -27.2 16.4 53.2 74 173 A M G <45S- 0 0 49 -3,-1.2 3,-0.4 3,-0.1 -1,-0.3 -0.334 136.9 -77.9-107.5 50.4 -26.3 14.6 50.0 75 174 A D T <45S- 0 0 149 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.2 0.833 85.9 -62.0 62.0 36.2 -25.8 11.1 51.5 76 175 A N S < S- 0 0 25 1,-0.1 4,-2.9 -12,-0.1 3,-0.4 -0.962 73.7-130.6-113.1 132.1 -10.1 18.3 45.1 82 181 A S H > S+ 0 0 7 -2,-0.5 4,-1.9 1,-0.3 5,-0.1 0.845 110.7 51.5 -46.1 -38.0 -10.2 21.9 46.3 83 182 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.933 110.8 45.6 -65.9 -46.2 -11.3 22.9 42.8 84 183 A A H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.851 109.7 57.2 -65.8 -33.7 -14.1 20.4 42.6 85 184 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.919 105.7 49.1 -64.1 -42.0 -15.2 21.4 46.1 86 185 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.917 112.2 47.9 -63.6 -43.2 -15.6 25.1 45.1 87 186 A L H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.892 111.1 51.8 -65.5 -37.4 -17.7 24.1 42.0 88 187 A H H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.944 112.2 45.7 -64.5 -45.4 -19.8 21.8 44.1 89 188 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.936 114.8 44.2 -65.1 -48.8 -20.6 24.5 46.7 90 189 A V H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.896 117.4 47.4 -65.2 -34.9 -21.4 27.3 44.3 91 190 A N H X S+ 0 0 46 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.907 112.7 49.7 -68.9 -40.4 -23.4 24.9 42.2 92 191 A K H X S+ 0 0 18 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.899 113.7 45.3 -63.9 -41.9 -25.1 23.6 45.4 93 192 A Y H X S+ 0 0 44 -4,-2.9 4,-2.8 2,-0.2 5,-0.4 0.918 111.3 51.3 -69.7 -43.2 -25.9 27.2 46.5 94 193 A Y H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.898 109.4 51.6 -61.3 -39.4 -27.2 28.4 43.1 95 194 A K H < S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 116.1 39.6 -67.0 -34.6 -29.5 25.4 42.9 96 195 A E H < S+ 0 0 119 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.824 129.2 27.2 -85.1 -32.1 -31.0 26.1 46.3 97 196 A T H < S- 0 0 76 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.758 84.6-132.4-105.2 -28.2 -31.2 29.8 46.2 98 197 A G S < S+ 0 0 53 -4,-2.4 -4,-0.1 -5,-0.4 -3,-0.1 0.443 76.7 108.8 86.1 -2.7 -31.5 31.0 42.6 99 198 A N - 0 0 78 -6,-0.4 2,-2.6 -5,-0.1 -1,-0.2 -0.937 68.1-141.5-113.5 116.5 -28.7 33.5 43.3 100 199 A P > - 0 0 17 0, 0.0 3,-2.1 0, 0.0 2,-0.1 -0.255 30.4-177.0 -72.1 57.1 -25.3 32.8 41.7 101 200 A L T 3 S- 0 0 49 -2,-2.6 3,-0.2 1,-0.3 -7,-0.1 -0.346 72.7 -5.0 -59.6 126.8 -23.2 33.9 44.7 102 201 A L T 3 S+ 0 0 3 86,-0.4 88,-2.2 1,-0.3 -1,-0.3 0.703 138.7 59.7 61.6 18.1 -19.5 33.8 44.1 103 202 A W S < S- 0 0 4 -3,-2.1 2,-0.3 86,-0.2 -1,-0.3 -0.515 82.4-116.9-145.2-150.3 -20.5 32.3 40.8 104 203 A S - 0 0 3 -2,-0.2 -3,-0.1 -3,-0.2 -10,-0.0 -0.971 8.6-145.0-163.6 151.4 -22.6 33.2 37.7 105 204 A D S S+ 0 0 103 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.1 0.613 80.5 91.2 -93.9 -16.1 -25.7 32.1 36.0 106 205 A D S > S- 0 0 74 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.682 73.1-142.3 -84.6 131.2 -24.2 33.0 32.6 107 206 A L H > S+ 0 0 21 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.855 99.5 54.2 -60.1 -41.2 -22.4 30.2 30.8 108 207 A A H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 109.9 48.2 -60.9 -43.4 -19.6 32.4 29.4 109 208 A D H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 109.0 54.5 -61.4 -44.1 -18.9 33.7 32.9 110 209 A Q H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.895 107.0 49.7 -57.5 -42.4 -18.8 30.2 34.2 111 210 A S H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.853 113.0 47.9 -67.5 -31.8 -16.2 29.2 31.6 112 211 A Q H X S+ 0 0 46 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.901 109.9 50.6 -73.4 -42.8 -14.1 32.2 32.6 113 212 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.905 113.5 47.5 -60.9 -39.5 -14.4 31.5 36.3 114 213 A N H X S+ 0 0 11 -4,-2.2 4,-3.4 -5,-0.2 5,-0.3 0.884 106.8 56.1 -68.9 -39.7 -13.3 27.9 35.5 115 214 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.968 113.9 39.6 -56.8 -55.1 -10.4 29.1 33.4 116 215 A W H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.855 115.0 53.7 -63.2 -37.0 -9.0 31.2 36.2 117 216 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.936 111.4 44.2 -65.3 -44.5 -9.9 28.5 38.8 118 217 A F H X S+ 0 0 1 -4,-3.4 4,-2.6 1,-0.2 5,-0.5 0.878 111.6 54.6 -66.6 -35.1 -8.0 25.8 36.8 119 218 A F H X>S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 5,-0.9 0.925 111.0 46.3 -62.8 -41.4 -5.2 28.3 36.4 120 219 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.5 3,-0.2 4,-1.1 0.973 117.1 41.6 -64.9 -53.7 -5.0 28.7 40.1 121 220 A T H <5S+ 0 0 9 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.823 129.7 25.8 -65.0 -33.6 -5.2 25.0 41.0 122 221 A S H <5S+ 0 0 19 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.666 132.8 28.9-107.6 -19.0 -2.8 23.8 38.3 123 222 A G H <5S+ 0 0 15 -4,-2.2 -3,-0.2 -5,-0.5 -2,-0.1 0.615 126.7 32.7-115.6 -16.0 -0.5 26.8 37.5 124 223 A H T X S+ 0 0 17 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.921 110.6 47.8 -62.0 -43.5 1.6 23.7 42.5 127 226 A M H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 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-0.939 18.3-165.1-114.4 112.2 19.8 23.7 44.6 143 242 A A H > S+ 0 0 78 -2,-0.6 4,-3.3 1,-0.2 5,-0.2 0.845 88.0 55.8 -63.9 -36.6 19.4 27.4 43.6 144 243 A S H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 106.3 52.0 -65.6 -35.7 18.4 26.7 40.0 145 244 A A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 114.3 43.6 -66.3 -37.0 15.5 24.5 41.2 146 245 A V H X S+ 0 0 29 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.947 113.2 49.9 -71.3 -49.8 14.4 27.3 43.5 147 246 A E H X S+ 0 0 114 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.875 103.7 62.5 -56.0 -40.7 14.8 30.0 40.9 148 247 A R H X S+ 0 0 69 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.931 113.0 33.1 -51.1 -53.0 12.8 27.9 38.4 149 248 A Y H X S+ 0 0 1 -4,-1.2 4,-3.1 -3,-0.2 5,-0.3 0.889 115.4 53.3 -77.4 -39.9 9.7 28.0 40.5 150 249 A T H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.901 112.4 49.9 -61.4 -35.0 9.9 31.4 42.1 151 250 A D H X S+ 0 0 81 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.951 112.2 45.8 -63.8 -50.3 10.3 32.7 38.5 152 251 A E H X S+ 0 0 48 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.872 111.8 50.9 -62.4 -39.8 7.3 30.7 37.4 153 252 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.904 110.7 50.2 -65.3 -39.3 5.2 31.9 40.4 154 253 A R H X S+ 0 0 77 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.835 108.7 52.1 -67.5 -30.0 6.2 35.4 39.6 155 254 A R H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.931 108.2 52.0 -69.3 -43.0 5.2 34.9 35.9 156 255 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.921 109.1 48.6 -57.1 -48.5 1.8 33.7 37.1 157 256 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.831 106.5 58.7 -63.9 -29.7 1.3 36.8 39.3 158 257 A G H X S+ 0 0 30 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.891 103.6 51.8 -65.0 -37.8 2.3 38.8 36.2 159 258 A V H X S+ 0 0 9 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.918 114.2 41.8 -64.4 -44.1 -0.6 37.2 34.4 160 259 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.891 112.4 54.2 -71.2 -38.6 -3.1 38.2 37.1 161 260 A E H X S+ 0 0 35 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.920 110.6 47.7 -58.9 -44.9 -1.6 41.6 37.6 162 261 A M H X S+ 0 0 65 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.953 111.8 49.0 -60.5 -53.7 -2.0 42.3 33.9 163 262 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 114.0 45.0 -53.8 -51.1 -5.6 41.1 33.9 164 263 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.869 108.2 57.5 -63.5 -37.2 -6.6 43.2 36.9 165 264 A A H X S+ 0 0 42 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.888 107.6 49.9 -60.3 -35.8 -4.8 46.2 35.4 166 265 A E H X S+ 0 0 82 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.886 110.2 47.2 -70.2 -39.0 -7.1 45.8 32.4 167 266 A R H X S+ 0 0 67 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.860 112.1 53.5 -68.4 -34.5 -10.2 45.6 34.5 168 267 A R H X S+ 0 0 36 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.968 108.2 47.9 -61.4 -56.3 -9.0 48.6 36.4 169 268 A E H X S+ 0 0 116 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.887 111.3 50.7 -53.0 -44.9 -8.4 50.6 33.2 170 269 A A H < S+ 0 0 51 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.914 112.4 46.8 -62.0 -43.0 -11.9 49.7 31.9 171 270 A L H >< S+ 0 0 60 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.939 108.1 54.9 -64.0 -47.3 -13.5 50.8 35.2 172 271 A V H 3< S+ 0 0 79 -4,-3.2 2,-0.3 1,-0.3 -1,-0.2 0.819 91.5 75.3 -55.6 -30.2 -11.5 54.0 35.3 173 272 A M T 3< S+ 0 0 121 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 0.116 72.0 90.2 -72.9 28.1 -13.0 54.6 31.8 174 273 A E < + 0 0 125 -3,-0.9 2,-0.5 -2,-0.3 -1,-0.2 -0.510 57.7 157.5-118.8 55.4 -16.1 55.5 33.8 175 274 A L 0 0 145 1,-0.2 -2,-0.0 -2,-0.1 -3,-0.0 -0.762 360.0 360.0 -87.0 121.7 -15.3 59.1 34.1 176 275 A D 0 0 200 -2,-0.5 -1,-0.2 0, 0.0 0, 0.0 0.543 360.0 360.0-132.6 360.0 -18.3 61.3 34.7 177 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 178 296 A D 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.3 -11.1 53.7 44.3 179 297 A Y - 0 0 159 -11,-0.0 2,-0.3 0, 0.0 -8,-0.0 -0.959 360.0 -98.6-143.8 158.2 -13.0 50.5 43.7 180 298 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 39,-0.0 -0.588 34.5-153.3 -81.5 141.5 -12.5 46.7 43.8 181 299 A V - 0 0 8 -2,-0.3 2,-0.4 34,-0.1 -17,-0.1 -0.896 8.9-158.2-114.3 144.6 -11.7 44.9 40.5 182 300 A W - 0 0 27 -2,-0.4 4,-0.5 1,-0.1 6,-0.1 -0.950 26.1-125.4-131.0 149.1 -12.4 41.3 39.8 183 301 A L S S+ 0 0 1 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.852 94.1 31.0 -51.8 -43.3 -11.3 38.6 37.4 184 302 A V S > S- 0 0 8 3,-0.5 3,-1.5 1,-0.1 -1,-0.1 -0.969 124.1 -17.9-132.5 138.3 -14.7 37.8 36.0 185 303 A G T 3 S- 0 0 44 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.746 102.8 -81.3 47.6 34.9 -18.0 39.6 35.4 186 304 A D T 3 S+ 0 0 131 -4,-0.5 2,-0.3 1,-0.1 -1,-0.3 0.843 107.4 97.5 41.6 45.0 -17.1 42.5 37.7 187 305 A K S < S- 0 0 67 -3,-1.5 -3,-0.5 -85,-0.0 2,-0.1 -0.981 83.7 -93.1-155.0 150.6 -18.1 40.5 40.8 188 306 A L + 0 0 18 -2,-0.3 -86,-0.4 -5,-0.1 2,-0.3 -0.441 52.5 166.5 -66.3 136.3 -16.4 38.4 43.4 189 307 A T >> - 0 0 1 -2,-0.1 4,-1.9 -87,-0.1 3,-1.2 -0.890 55.2 -91.3-143.0 173.9 -16.2 34.7 42.5 190 308 A I H 3> S+ 0 0 0 -88,-2.2 4,-1.6 -2,-0.3 -87,-0.1 0.710 121.7 68.3 -61.7 -16.2 -14.5 31.6 43.6 191 309 A A H 34 S+ 0 0 0 -89,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.886 104.6 39.9 -70.0 -36.9 -11.9 32.5 40.9 192 310 A D H X> S+ 0 0 0 -3,-1.2 3,-0.9 1,-0.2 4,-0.7 0.919 116.2 49.9 -75.7 -44.2 -10.8 35.5 43.0 193 311 A L H 3< S+ 0 0 1 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.738 95.1 72.9 -66.8 -26.4 -11.0 33.7 46.4 194 312 A A T 3< S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.832 99.8 45.7 -58.0 -35.3 -9.0 30.7 45.1 195 313 A F T X> S+ 0 0 0 -3,-0.9 4,-2.8 -4,-0.5 3,-0.6 0.773 90.8 82.7 -81.6 -29.3 -5.8 32.8 45.2 196 314 A V H 3X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.869 90.5 46.4 -44.1 -58.1 -6.1 34.5 48.5 197 315 A P H 34 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.819 119.2 42.4 -58.4 -34.2 -4.8 31.7 50.9 198 316 A W H X> S+ 0 0 23 -3,-0.6 3,-1.6 -4,-0.4 4,-0.9 0.792 107.7 61.4 -81.6 -30.6 -1.8 31.1 48.5 199 317 A N H >< S+ 0 0 6 -4,-2.8 3,-0.7 1,-0.3 4,-0.3 0.925 100.1 55.5 -58.3 -44.6 -1.3 34.9 48.1 200 318 A N T 3< S+ 0 0 65 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.426 109.3 48.0 -70.6 2.1 -0.7 35.2 51.8 201 319 A V T X4 S+ 0 0 16 -3,-1.6 3,-1.8 -5,-0.1 -1,-0.2 0.596 81.2 86.0-119.9 -12.5 2.1 32.7 51.7 202 320 A V G X<>S+ 0 0 2 -4,-0.9 5,-2.2 -3,-0.7 3,-1.9 0.668 74.5 76.4 -65.5 -15.6 4.4 33.6 48.8 203 321 A D G > 5S+ 0 0 104 -4,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.841 85.6 65.5 -63.5 -26.9 6.3 36.0 51.0 204 322 A R G < 5S+ 0 0 105 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.560 101.5 47.8 -71.2 -7.9 7.9 32.8 52.3 205 323 A I G < 5S- 0 0 2 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.069 130.9 -93.1-116.2 20.3 9.5 32.2 48.9 206 324 A G T < 5S+ 0 0 40 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.588 82.5 133.6 82.7 11.4 10.7 35.8 48.7 207 325 A I < - 0 0 2 -5,-2.2 2,-0.8 -6,-0.1 -1,-0.2 -0.849 35.9-166.4-101.8 119.5 7.8 37.4 46.8 208 326 A N > - 0 0 75 -2,-0.6 4,-2.9 1,-0.2 3,-0.4 -0.864 2.1-172.7-103.5 102.2 6.5 40.7 48.1 209 327 A I H > S+ 0 0 17 -2,-0.8 4,-2.9 1,-0.2 8,-0.4 0.899 79.5 63.6 -58.3 -45.9 3.2 41.3 46.4 210 328 A K H 4 S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.853 118.4 26.1 -47.7 -43.6 2.8 44.8 47.8 211 329 A I H 4 S+ 0 0 134 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.862 127.6 42.8 -90.7 -42.7 5.8 46.0 45.9 212 330 A E H < S+ 0 0 61 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.849 124.9 25.7 -76.5 -36.9 6.0 43.5 43.0 213 331 A F X + 0 0 19 -4,-2.9 4,-2.3 -5,-0.3 3,-0.4 -0.634 62.1 179.7-135.1 82.3 2.3 43.4 42.0 214 332 A P H > S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.878 84.1 45.7 -42.8 -61.1 0.2 46.6 42.9 215 333 A E H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.861 112.7 51.1 -57.2 -38.4 -3.1 45.4 41.5 216 334 A V H > S+ 0 0 0 -3,-0.4 4,-3.1 1,-0.2 5,-0.3 0.897 107.5 55.1 -66.6 -35.9 -2.8 42.0 43.1 217 335 A Y H X S+ 0 0 80 -4,-2.3 4,-2.1 -8,-0.4 -2,-0.2 0.935 112.7 41.2 -60.0 -47.1 -2.0 43.8 46.4 218 336 A K H X S+ 0 0 86 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.959 115.8 49.9 -63.5 -53.2 -5.3 45.7 46.2 219 337 A W H X S+ 0 0 6 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.895 114.8 43.4 -51.8 -48.6 -7.3 42.7 44.9 220 338 A T H X S+ 0 0 12 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.859 111.3 54.8 -71.0 -33.7 -6.0 40.5 47.7 221 339 A K H X S+ 0 0 82 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.931 104.4 54.8 -64.1 -44.3 -6.4 43.2 50.3 222 340 A H H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.8 46.1 -55.7 -37.7 -10.1 43.6 49.3 223 341 A M H >< S+ 0 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153 B A X> - 0 0 0 -3,-1.9 4,-2.4 1,-0.2 3,-1.5 -0.430 62.5-137.1 -61.6 116.6 0.7 38.1 19.7 294 154 B P H 3> S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 104.8 52.7 -40.7 -49.2 -1.2 40.8 21.6 295 155 B E H 34 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 5,-0.1 0.845 111.4 47.6 -59.4 -34.5 -4.5 39.6 20.1 296 156 B F H X> S+ 0 0 0 -3,-1.5 4,-1.3 -6,-0.2 3,-0.9 0.918 112.4 47.3 -72.3 -45.7 -3.7 36.1 21.4 297 157 B V H 3< S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.806 104.5 61.7 -65.6 -31.0 -2.7 37.3 24.9 298 158 B S T 3< S+ 0 0 86 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.684 113.4 36.1 -70.3 -16.3 -5.8 39.5 25.2 299 159 B V T <4 S+ 0 0 33 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.593 130.6 31.1-109.2 -17.0 -8.0 36.4 24.8 300 160 B N >< - 0 0 0 -4,-1.3 3,-2.4 1,-0.1 -1,-0.2 -0.652 67.8-171.0-143.6 81.3 -5.7 34.0 26.8 301 161 B P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.777 84.2 56.8 -41.3 -43.5 -3.8 35.9 29.5 302 162 B N T 3 S- 0 0 12 2,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.667 95.3-142.0 -69.0 -17.4 -1.5 33.0 30.4 303 163 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-16.8 -0.1 952 311 D L H 3< S+ 0 0 0 -4,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.772 95.7 69.9 -54.0 -33.2 17.2 -15.1 -3.5 953 312 D A H 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.830 100.6 47.1 -58.4 -32.0 19.3 -12.1 -2.5 954 313 D F H XX S+ 0 0 0 -3,-1.4 4,-2.6 -4,-0.6 3,-0.7 0.838 91.3 78.2 -80.8 -33.3 22.5 -14.2 -2.4 955 314 D V H 3X S+ 0 0 0 -4,-0.8 4,-1.6 1,-0.2 -1,-0.1 0.871 90.3 51.8 -47.8 -51.3 22.3 -16.2 -5.6 956 315 D P H 34 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.913 117.7 40.9 -54.3 -40.1 23.4 -13.4 -8.0 957 316 D W H X> S+ 0 0 20 -3,-0.7 3,-1.8 -4,-0.4 4,-1.6 0.818 105.2 63.0 -75.8 -32.0 26.5 -12.9 -5.8 958 317 D N H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 10,-0.2 0.825 99.4 60.1 -60.6 -27.5 27.1 -16.6 -5.2 959 318 D N T 3< S+ 0 0 64 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.579 110.5 37.7 -76.7 -10.5 27.6 -16.7 -9.0 960 319 D V T X4 S+ 0 0 15 -3,-1.8 3,-3.0 -4,-0.1 4,-0.3 0.657 84.7 88.3-116.3 -20.0 30.5 -14.2 -8.9 961 320 D V G ><>S+ 0 0 0 -4,-1.6 5,-2.0 1,-0.3 3,-0.8 0.573 77.1 74.4 -60.0 -5.1 32.6 -15.0 -5.8 962 321 D D G > 5S+ 0 0 102 1,-0.2 3,-1.7 3,-0.2 -1,-0.3 0.790 84.1 68.4 -74.7 -23.7 34.6 -17.5 -7.9 963 322 D R G < 5S+ 0 0 107 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.677 100.6 47.1 -65.5 -17.6 36.1 -14.4 -9.5 964 323 D I G < 5S- 0 0 1 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.025 128.8 -92.8-112.8 26.0 37.8 -13.7 -6.1 965 324 D G T < 5S+ 0 0 39 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.531 82.0 133.5 81.1 6.2 39.1 -17.3 -5.6 966 325 D I < - 0 0 2 -5,-2.0 2,-0.8 -6,-0.1 -1,-0.2 -0.822 38.3-162.5 -94.5 123.3 36.2 -18.7 -3.5 967 326 D N > - 0 0 81 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 -0.869 4.0-171.7-104.0 100.5 35.0 -22.1 -4.7 968 327 D I H > S+ 0 0 17 -2,-0.8 4,-2.8 1,-0.2 8,-0.4 0.894 78.4 61.3 -58.9 -45.4 31.6 -22.5 -3.2 969 328 D K H 4 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.905 119.4 25.4 -49.1 -49.7 31.1 -26.2 -4.2 970 329 D I H 4 S+ 0 0 132 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.828 127.5 44.3 -87.5 -34.1 34.1 -27.3 -2.2 971 330 D E H < S+ 0 0 68 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.820 126.6 23.4 -82.1 -31.8 34.3 -24.6 0.5 972 331 D F X + 0 0 19 -4,-2.8 4,-2.4 -5,-0.3 3,-0.3 -0.578 65.0 176.9-140.1 76.2 30.6 -24.4 1.4 973 332 D P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.828 82.8 46.6 -43.1 -53.5 28.7 -27.6 0.6 974 333 D E H > S+ 0 0 13 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.916 112.5 51.2 -63.6 -40.5 25.3 -26.5 2.0 975 334 D V H > S+ 0 0 0 -3,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.902 107.9 54.4 -61.6 -39.5 25.6 -23.2 0.2 976 335 D Y H X S+ 0 0 83 -4,-2.4 4,-1.5 -8,-0.4 -2,-0.2 0.947 113.2 40.4 -59.1 -50.7 26.4 -25.1 -3.0 977 336 D K H X S+ 0 0 23 -4,-2.3 4,-2.4 2,-0.2 3,-0.4 0.959 115.6 51.2 -61.6 -51.7 23.2 -27.2 -2.7 978 337 D W H X S+ 0 0 2 -4,-3.2 4,-1.4 1,-0.3 -2,-0.2 0.922 113.4 45.1 -51.2 -49.0 21.1 -24.2 -1.6 979 338 D T H X S+ 0 0 11 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.3 0.740 109.8 55.1 -72.2 -22.3 22.3 -22.1 -4.5 980 339 D K H X S+ 0 0 55 -4,-1.5 4,-1.2 -3,-0.4 -1,-0.2 0.878 103.8 54.4 -77.3 -36.5 21.8 -24.9 -7.0 981 340 D H H < S+ 0 0 32 -4,-2.4 3,-0.4 1,-0.2 4,-0.4 0.905 109.8 47.5 -61.6 -40.4 18.2 -25.4 -6.0 982 341 D M H >< S+ 0 0 0 -4,-1.4 3,-1.3 -5,-0.2 6,-0.2 0.919 108.8 54.5 -68.0 -40.4 17.6 -21.7 -6.7 983 342 D M H 3< S+ 0 0 54 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.687 100.1 60.4 -66.4 -19.7 19.4 -21.8 -10.1 984 343 D R T 3< S+ 0 0 133 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.586 80.6 110.7 -83.7 -9.9 17.2 -24.7 -11.3 985 344 D R <> - 0 0 76 -3,-1.3 4,-2.5 -4,-0.4 5,-0.2 -0.482 68.3-139.9 -69.8 130.2 14.1 -22.5 -10.9 986 345 D P H > S+ 0 0 105 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.898 103.3 49.9 -55.2 -46.4 12.5 -21.5 -14.3 987 346 D A H > S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.874 111.9 48.8 -63.8 -36.4 11.8 -18.0 -13.1 988 347 D V H > S+ 0 0 0 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 115.0 43.8 -69.8 -39.2 15.4 -17.6 -11.9 989 348 D I H X S+ 0 0 71 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.889 110.5 56.1 -70.3 -39.2 16.7 -18.9 -15.2 990 349 D K H X S+ 0 0 117 -4,-3.1 4,-0.5 -5,-0.2 5,-0.4 0.816 114.1 40.3 -61.6 -32.7 14.3 -16.8 -17.2 991 350 D A H < S+ 0 0 0 -4,-1.3 3,-0.4 -5,-0.2 -2,-0.2 0.843 102.2 64.4 -87.5 -38.8 15.6 -13.7 -15.4 992 351 D L H < S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.613 92.3 69.5 -63.9 -9.5 19.3 -14.3 -15.4 993 352 D R H < S- 0 0 165 -4,-0.6 -1,-0.2 -3,-0.1 -2,-0.2 0.983 99.9-133.3 -68.6 -58.1 19.3 -14.2 -19.2 994 353 D G < 0 0 13 -4,-0.5 -3,-0.1 -3,-0.4 -2,-0.1 0.790 360.0 360.0 104.5 45.1 18.5 -10.4 -19.2 995 354 D E 0 0 135 -5,-0.4 -4,-0.1 -4,-0.1 -214,-0.1 0.922 360.0 360.0 -49.9 360.0 15.7 -10.2 -21.8