==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-DEC-11 3UWS . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES MERDAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 700 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 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 . 2 0.3 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 . 68 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 2 2 2 4 4 0 2 1 2 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 0 2 2 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 . 4 0 4 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 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 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 24 A T 0 0 156 0, 0.0 96,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.9 5.9 40.4 52.6 2 25 A P - 0 0 84 0, 0.0 96,-0.2 0, 0.0 95,-0.2 -0.201 360.0-109.7 -65.5 151.9 8.0 43.3 51.1 3 26 A E - 0 0 68 94,-3.2 3,-0.1 1,-0.1 400,-0.1 -0.394 49.2 -83.2 -69.8 154.2 11.7 42.8 50.0 4 27 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 363,-0.1 -0.336 58.4 -93.4 -56.9 140.7 14.3 44.5 52.1 5 28 A R - 0 0 37 -3,-0.1 366,-0.3 95,-0.1 95,-0.3 -0.342 52.9-171.4 -58.1 134.1 14.7 48.1 51.1 6 29 A T E -a 100 0A 19 93,-1.8 95,-1.9 -3,-0.1 96,-0.2 -0.567 36.7 -95.4-118.8-177.0 17.5 48.4 48.5 7 30 A T E S+ 0 0 50 1,-0.2 95,-0.6 93,-0.2 2,-0.3 0.895 99.8 5.5 -68.5 -41.9 19.4 51.2 46.8 8 31 A R E -a 102 0A 19 93,-0.2 36,-2.1 92,-0.1 2,-0.4 -0.998 50.5-167.7-149.9 139.2 17.3 51.4 43.6 9 32 A T E -ab 103 44A 2 93,-1.9 95,-2.1 -2,-0.3 2,-0.5 -1.000 13.2-168.3-119.3 130.2 14.2 49.9 42.0 10 33 A I E -ab 104 45A 1 34,-2.8 36,-2.8 -2,-0.4 2,-0.5 -0.981 3.4-161.2-117.6 131.0 13.6 50.4 38.4 11 34 A L E -ab 105 46A 3 93,-2.4 95,-2.8 -2,-0.5 2,-0.6 -0.928 4.1-157.8-109.1 128.9 10.2 49.5 36.8 12 35 A V E -ab 106 47A 2 34,-2.7 36,-3.0 -2,-0.5 2,-0.7 -0.949 8.1-162.3-104.9 117.4 9.9 49.0 33.0 13 36 A Y E -ab 107 48A 1 93,-3.1 95,-2.5 -2,-0.6 2,-0.7 -0.905 9.6-167.4-108.4 104.7 6.3 49.6 32.0 14 37 A X E -ab 108 49A 0 34,-3.4 36,-2.4 -2,-0.7 2,-1.0 -0.845 14.8-172.7-106.5 104.4 5.9 48.1 28.6 15 38 A X E + b 0 50A 0 93,-2.6 114,-0.4 -2,-0.7 95,-0.3 -0.824 26.9 149.5 -94.6 95.6 2.7 48.8 26.6 16 39 A A E + b 0 51A 0 34,-2.5 2,-1.9 -2,-1.0 36,-0.6 0.185 26.9 114.3-118.1 12.3 3.2 46.5 23.7 17 40 A N S S+ 0 0 43 33,-0.5 114,-2.8 112,-0.4 2,-0.2 -0.546 78.0 55.9 -83.2 71.0 -0.4 45.6 22.8 18 41 A N S > S- 0 0 25 -2,-1.9 3,-1.9 112,-0.2 34,-0.2 -0.882 118.2 -48.4-177.9-171.0 0.2 47.4 19.5 19 42 A S T 3 S+ 0 0 88 1,-0.3 3,-0.3 -2,-0.2 4,-0.2 0.572 124.4 65.8 -63.0 -14.8 2.7 47.2 16.5 20 43 A L T >> + 0 0 28 1,-0.2 4,-1.3 -5,-0.1 3,-1.0 0.453 69.1 109.0 -83.8 -3.1 5.8 47.1 18.8 21 44 A N H X> S+ 0 0 56 -3,-1.9 3,-0.9 1,-0.2 4,-0.8 0.851 76.4 49.1 -36.7 -55.1 4.7 43.7 20.1 22 45 A S H 3> S+ 0 0 74 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.828 111.1 50.5 -60.8 -32.6 7.5 41.8 18.3 23 46 A F H <> S+ 0 0 55 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.672 93.3 72.7 -81.3 -19.8 10.2 44.2 19.6 24 47 A A H - 0 0 39 -2,-1.4 4,-2.7 -3,-0.2 5,-0.2 -0.283 63.9-106.9 -69.7 159.7 23.7 40.3 36.2 37 60 A S H >>S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 5,-0.6 0.919 123.2 50.5 -51.9 -45.2 24.0 40.5 40.0 38 61 A K H 45S+ 0 0 174 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.946 113.0 44.4 -61.2 -47.6 27.1 42.6 39.5 39 62 A N H 45S+ 0 0 43 1,-0.2 158,-0.3 -5,-0.1 -2,-0.2 0.854 109.4 54.4 -68.3 -36.9 25.3 45.0 37.1 40 63 A L H ><5S- 0 0 9 -4,-2.7 3,-2.7 3,-0.1 -1,-0.2 0.730 90.1-155.5 -71.0 -21.6 22.1 45.3 39.2 41 64 A N T 3<5S- 0 0 66 -4,-1.3 -34,-0.2 -3,-0.4 -3,-0.1 0.869 70.8 -46.9 54.7 40.9 24.4 46.4 42.2 42 65 A G T 3 - D 0 67A 109 3,-2.4 3,-1.5 -2,-0.4 -2,-0.0 -0.980 69.5 -6.4-141.7 132.5 20.5 33.1 40.2 65 88 A N T 3 S- 0 0 168 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.900 131.2 -52.0 48.8 47.2 23.1 30.4 40.0 66 89 A G T 3 S+ 0 0 60 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.484 119.3 99.5 76.4 4.7 24.9 32.2 37.1 67 90 A V E < -D 64 0A 77 -3,-1.5 -3,-2.4 -5,-0.1 2,-0.5 -0.989 68.5-134.9-128.4 124.4 21.8 32.6 34.9 68 91 A V E -D 63 0A 23 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.3 -0.716 35.8-168.7 -77.5 121.8 19.8 35.8 34.6 69 92 A K E -D 62 0A 105 -7,-2.6 -7,-1.9 -2,-0.5 2,-0.7 -0.815 29.2-127.5-114.5 151.3 16.1 34.6 34.7 70 93 A K E -D 61 0A 113 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.925 33.4-157.6 -90.8 115.4 12.7 36.2 34.1 71 94 A I E -D 60 0A 51 -11,-3.5 -11,-2.4 -2,-0.7 2,-0.5 -0.859 12.4-130.5-102.0 124.4 10.8 35.4 37.3 72 95 A H E +D 59 0A 91 -2,-0.5 -13,-0.2 -13,-0.2 3,-0.1 -0.647 31.3 170.3 -74.7 117.4 7.1 35.4 37.0 73 96 A L E - 0 0 59 -15,-2.9 2,-0.3 -2,-0.5 -14,-0.2 0.849 61.9 -24.6 -95.0 -48.2 5.6 37.5 39.8 74 97 A K E -D 58 0A 77 -16,-1.6 -16,-2.5 2,-0.0 2,-0.5 -0.985 46.4-130.5-163.0 158.7 2.0 37.6 38.7 75 98 A D E -D 57 0A 103 -2,-0.3 2,-0.2 -18,-0.2 -18,-0.2 -0.930 26.5-150.7-106.4 134.0 -0.5 37.4 35.8 76 99 A Y - 0 0 19 -20,-2.8 2,-0.2 -2,-0.5 3,-0.1 -0.652 18.3-114.9 -94.6 159.2 -3.0 40.1 35.5 77 100 A E - 0 0 172 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.492 61.2 -61.6 -79.4 164.0 -6.5 39.7 34.0 78 101 A K S S+ 0 0 190 -2,-0.2 2,-0.3 -23,-0.1 -1,-0.2 -0.228 76.7 158.8 -46.1 127.6 -7.2 41.6 30.8 79 102 A Q - 0 0 58 -3,-0.1 2,-1.1 7,-0.0 3,-0.1 -0.992 49.8-101.1-155.9 155.1 -6.9 45.3 31.6 80 103 A N > - 0 0 46 -2,-0.3 3,-1.9 1,-0.2 6,-0.3 -0.664 28.6-170.3 -83.3 101.2 -6.3 48.6 29.9 81 104 A S T 3 S+ 0 0 0 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.681 85.2 60.9 -66.2 -18.7 -2.6 49.4 30.6 82 105 A A T 3 S+ 0 0 4 48,-0.1 -1,-0.3 4,-0.1 45,-0.1 0.343 78.0 104.7 -87.9 1.3 -3.2 53.0 29.2 83 106 A D S X> S- 0 0 58 -3,-1.9 4,-2.2 1,-0.1 3,-1.0 -0.774 72.4-140.7 -80.2 122.6 -5.8 53.7 32.0 84 107 A P H 3> S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.811 101.8 58.0 -54.4 -32.7 -4.0 56.0 34.5 85 108 A D H 3> S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 107.1 47.3 -62.1 -40.5 -5.7 54.1 37.4 86 109 A V H <> S+ 0 0 25 -3,-1.0 4,-2.5 -6,-0.3 5,-0.2 0.929 112.5 49.1 -66.9 -49.0 -4.1 50.8 36.1 87 110 A X H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.930 112.2 48.4 -55.6 -48.4 -0.7 52.4 35.8 88 111 A R H X S+ 0 0 124 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.897 111.6 50.3 -59.4 -42.0 -0.9 53.9 39.3 89 112 A S H X S+ 0 0 75 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.892 111.7 46.6 -64.7 -43.3 -2.0 50.6 40.7 90 113 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.942 112.7 49.9 -63.5 -48.4 0.9 48.7 39.1 91 114 A I H X S+ 0 0 3 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.936 111.2 50.2 -55.2 -45.1 3.4 51.3 40.2 92 115 A G H X S+ 0 0 31 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.886 108.9 50.7 -59.9 -44.0 2.0 51.0 43.8 93 116 A E H X S+ 0 0 59 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.900 114.4 45.1 -59.0 -42.4 2.3 47.2 43.8 94 117 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.949 113.9 46.2 -70.6 -48.6 5.9 47.5 42.6 95 118 A V H < S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.2 51.6 -63.1 -38.9 7.0 50.2 45.0 96 119 A S H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.883 118.2 35.3 -64.6 -42.6 5.3 48.4 47.9 97 120 A Q H < S+ 0 0 53 -4,-1.8 -94,-3.2 1,-0.2 -2,-0.2 0.790 126.4 37.9 -84.5 -26.4 6.9 45.1 47.3 98 121 A Y S < S- 0 0 11 -4,-2.6 -1,-0.2 -96,-0.2 -54,-0.1 -0.589 79.9-175.6-125.9 60.2 10.4 46.4 46.1 99 122 A P + 0 0 15 0, 0.0 -93,-1.8 0, 0.0 2,-0.3 -0.270 9.8 170.4 -62.2 149.3 11.1 49.5 48.3 100 123 A A E -a 6 0A 2 -95,-0.3 -93,-0.2 -93,-0.1 -92,-0.1 -0.960 48.9-114.9-152.0 166.7 14.2 51.5 47.6 101 124 A D E S+ 0 0 79 -95,-1.9 2,-0.3 -2,-0.3 -93,-0.2 0.694 105.7 19.0 -75.2 -23.3 16.1 54.7 48.3 102 125 A S E S-a 8 0A 25 -95,-0.6 -93,-1.9 -96,-0.2 2,-0.4 -0.989 70.5-154.1-149.4 151.1 15.6 55.7 44.7 103 126 A Y E -a 9 0A 21 45,-0.4 47,-3.1 -2,-0.3 48,-1.0 -0.978 5.1-169.6-130.7 144.5 13.2 54.8 41.9 104 127 A G E -ae 10 151A 0 -95,-2.1 -93,-2.4 -2,-0.4 2,-0.4 -0.942 7.5-155.0-131.3 147.1 13.4 54.9 38.2 105 128 A L E -ae 11 152A 0 46,-1.9 48,-2.9 -2,-0.3 2,-0.6 -0.996 3.4-162.8-124.8 127.4 10.7 54.4 35.6 106 129 A V E -ae 12 153A 1 -95,-2.8 -93,-3.1 -2,-0.4 2,-0.7 -0.960 11.0-159.9-104.5 119.4 11.2 53.3 32.0 107 130 A L E -ae 13 154A 0 46,-2.7 48,-2.4 -2,-0.6 2,-0.5 -0.900 13.1-174.3-103.8 114.1 8.1 54.1 29.9 108 131 A W E +ae 14 155A 4 -95,-2.5 -93,-2.6 -2,-0.7 2,-0.3 -0.946 33.0 76.9-119.3 114.1 8.1 51.9 26.8 109 132 A S S S- 0 0 3 46,-1.6 48,-0.3 -2,-0.5 2,-0.2 -0.960 82.7 -44.0-178.9-168.8 5.5 52.2 24.1 110 133 A H - 0 0 41 -95,-0.3 18,-2.5 -2,-0.3 2,-0.3 -0.521 57.8-167.2 -70.5 152.3 4.6 54.4 21.1 111 134 A G B +I 127 0B 5 16,-0.2 16,-0.2 -2,-0.2 46,-0.2 -0.992 30.5 175.9-146.5 148.8 4.7 58.1 21.6 112 135 A T > - 0 0 15 14,-2.9 3,-2.0 1,-0.5 46,-0.2 -0.202 47.8-119.6-142.2 42.4 3.6 61.3 19.9 113 136 A A T 3 S- 0 0 0 44,-0.7 -1,-0.5 1,-0.3 46,-0.1 -0.297 78.6 -26.4 55.4-132.1 4.7 64.0 22.4 114 137 A W T 3 S+ 0 0 0 44,-0.1 23,-0.3 -3,-0.1 -1,-0.3 0.426 101.2 132.8 -86.4 -6.0 1.6 66.0 23.7 115 138 A L < - 0 0 0 -3,-2.0 -3,-0.1 11,-0.2 22,-0.1 -0.171 65.6-108.5 -59.6 141.1 -0.4 65.3 20.5 116 139 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.404 25.4-123.7 -61.4 144.0 -4.0 64.1 20.9 117 140 A S T 3 S+ 0 0 45 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.792 114.2 51.4 -61.7 -27.5 -4.3 60.4 19.9 118 141 A D T > S+ 0 0 72 1,-0.2 3,-2.1 2,-0.1 4,-0.3 -0.063 71.2 131.9 -94.0 31.8 -6.9 61.4 17.4 119 142 A Y G X + 0 0 19 -3,-1.8 3,-2.2 1,-0.3 -1,-0.2 0.805 58.6 71.6 -57.2 -28.9 -4.7 64.2 15.8 120 143 A Q G > S+ 0 0 80 -3,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.751 96.4 52.5 -61.1 -22.6 -5.4 62.9 12.3 121 144 A N G < S+ 0 0 132 -3,-2.1 -1,-0.3 1,-0.2 3,-0.3 0.496 102.9 58.7 -87.3 -6.0 -8.9 64.3 12.7 122 145 A K G < S+ 0 0 38 -3,-2.2 215,-0.6 -4,-0.3 -1,-0.2 0.089 76.2 96.5-110.5 22.7 -7.6 67.8 13.7 123 146 A L < 0 0 26 -3,-0.5 -1,-0.1 213,-0.1 -2,-0.1 0.531 360.0 360.0 -91.3 -6.2 -5.5 68.6 10.6 124 147 A K 0 0 215 -3,-0.3 212,-0.5 210,-0.1 -3,-0.0 -0.726 360.0 360.0-112.0 360.0 -8.1 70.7 8.5 125 !* 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 0.0 126 148 B A 0 0 0 0, 0.0 -14,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.7 0.0 60.9 23.4 127 149 B F E +IJ 111 135B 0 8,-3.0 8,-1.5 1,-0.3 -16,-0.2 -0.990 360.0 27.1-142.3 135.4 1.9 58.1 25.0 128 150 B G E - 0 0 0 -18,-2.5 7,-1.0 -2,-0.3 2,-0.6 0.840 56.4-148.2 87.0 101.9 1.2 54.4 25.4 129 151 B Q E + J 0 134B 45 -114,-0.4 2,-0.5 5,-0.2 -112,-0.4 -0.936 18.0 173.6-105.7 121.0 -1.0 52.5 23.0 130 152 B D E > S- J 0 133B 13 3,-3.0 3,-2.2 -2,-0.6 2,-0.3 -0.914 70.9 -58.3-124.0 97.2 -3.1 49.6 24.4 131 153 B G T 3 S- 0 0 29 -114,-2.8 -79,-0.0 -2,-0.5 -51,-0.0 -0.551 122.0 -18.1 64.3-121.7 -5.3 48.3 21.6 132 154 B N T 3 S+ 0 0 158 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.553 121.2 98.5 -84.0 -12.0 -7.3 51.4 20.6 133 155 B N E < +J 130 0B 80 -3,-2.2 -3,-3.0 -50,-0.0 2,-0.3 -0.582 47.4 178.3 -93.6 140.0 -6.6 53.2 23.9 134 156 B W E -J 129 0B 57 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.927 29.5-120.9-128.2 155.5 -3.9 55.9 24.5 135 157 B X E -J 127 0B 0 -8,-1.5 -8,-3.0 -7,-1.0 2,-0.1 -0.884 25.7-145.7 -91.3 120.9 -2.8 58.0 27.3 136 158 B E > - 0 0 20 -2,-0.7 4,-2.6 -10,-0.2 3,-0.3 -0.415 34.4-101.2 -73.7 161.1 -3.0 61.7 26.5 137 159 B I H > S+ 0 0 1 -23,-0.3 4,-2.0 1,-0.3 5,-0.1 0.876 125.4 48.3 -58.8 -38.0 -0.2 63.7 28.1 138 160 B D H > S+ 0 0 27 206,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.843 110.4 52.0 -67.2 -33.8 -2.5 64.9 31.0 139 161 B D H > S+ 0 0 40 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.876 107.4 52.8 -67.4 -40.6 -3.7 61.3 31.6 140 162 B L H >X S+ 0 0 0 -4,-2.6 3,-0.7 2,-0.2 4,-0.6 0.947 105.9 53.0 -62.1 -44.3 -0.1 60.2 31.8 141 163 B A H >< S+ 0 0 12 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.934 109.4 50.5 -57.0 -41.2 0.5 62.9 34.5 142 164 B K H 3< S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.749 104.9 56.8 -66.2 -27.6 -2.5 61.4 36.4 143 165 B G H << S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.522 99.0 75.4 -77.9 -7.0 -1.1 57.9 36.1 144 166 B L S << S- 0 0 1 -3,-1.3 2,-0.1 -4,-0.6 -56,-0.1 -0.882 79.9-126.4-113.0 133.5 2.1 58.9 37.9 145 167 B P > - 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0 0 44 -3,-1.9 2,-0.2 1,-0.0 -3,-0.0 -0.563 54.2-150.5 -86.7 141.7 2.2 87.4 21.2 247 269 B T > - 0 0 72 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.535 32.0-102.0-101.4 170.3 -0.8 87.3 18.9 248 270 B E H > S+ 0 0 105 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.908 124.6 56.3 -55.6 -41.9 -2.0 84.8 16.3 249 271 B S H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.918 107.2 48.2 -57.8 -43.5 -0.7 87.3 13.7 250 272 B D H 4 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.917 117.6 40.3 -63.7 -42.7 2.8 87.3 15.3 251 273 B I H >< S+ 0 0 12 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.912 114.0 51.1 -75.7 -44.2 2.9 83.5 15.4 252 274 B Y H 3< S+ 0 0 48 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.612 97.3 70.8 -70.7 -11.8 1.3 82.8 12.0 253 275 B S T 3< S+ 0 0 95 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.712 78.0 102.1 -72.0 -19.8 3.8 85.3 10.4 254 276 B L S < S- 0 0 27 -3,-1.4 3,-0.1 -4,-0.3 24,-0.0 -0.316 71.4-136.4 -68.5 145.4 6.6 82.7 11.0 255 277 B D > - 0 0 83 1,-0.1 3,-2.4 0, 0.0 4,-0.1 -0.941 5.0-150.2-104.6 111.0 7.7 80.7 8.1 256 278 B P G > S+ 0 0 26 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.770 93.0 71.8 -51.1 -28.5 8.2 77.0 9.1 257 279 B K G 3 S+ 0 0 158 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.698 90.4 59.9 -61.6 -21.8 10.9 76.7 6.5 258 280 B N G < S+ 0 0 102 -3,-2.4 2,-0.3 2,-0.1 -1,-0.3 0.332 101.6 64.2 -84.2 0.4 13.2 78.9 8.7 259 281 B X S < S- 0 0 13 -3,-1.9 2,-0.7 -4,-0.1 17,-0.0 -0.899 92.7-100.5-126.0 154.0 13.0 76.4 11.7 260 282 B Q - 0 0 25 -2,-0.3 14,-2.6 14,-0.1 2,-0.3 -0.679 34.5-144.7 -75.7 114.9 14.2 72.8 12.1 261 283 B R B +L 273 0C 46 -2,-0.7 12,-0.2 12,-0.2 3,-0.1 -0.623 20.3 178.5 -77.5 139.0 11.2 70.4 11.7 262 284 B L + 0 0 0 10,-2.5 2,-0.3 -2,-0.3 11,-0.2 0.197 56.0 62.4-129.0 17.0 11.5 67.4 14.1 263 285 B E + 0 0 0 9,-0.5 8,-0.2 -83,-0.1 9,-0.2 -0.985 40.1 172.5-151.4 132.6 8.3 65.5 13.4 264 286 B Y + 0 0 49 -2,-0.3 48,-0.4 6,-0.1 49,-0.2 -0.509 20.4 167.8-138.5 61.7 6.9 63.8 10.3 265 287 B L > - 0 0 26 1,-0.1 3,-2.1 47,-0.1 5,-0.1 -0.370 53.8 -72.7 -71.4 157.6 3.8 61.9 11.5 266 288 B Y T 3 S- 0 0 134 1,-0.3 -1,-0.1 -2,-0.1 47,-0.1 -0.293 118.2 -1.1 -58.2 129.8 1.5 60.5 8.8 267 289 B R T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.399 97.3 143.0 71.0 0.1 -0.5 63.3 7.1 268 290 B S < - 0 0 14 -3,-2.1 -1,-0.2 1,-0.1 -148,-0.0 -0.536 46.9-155.4 -74.5 135.9 1.2 65.9 9.3 269 291 B P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.505 67.8 -75.7 -79.4 -4.6 2.0 69.3 7.8 270 292 B G + 0 0 0 -5,-0.1 -6,-0.1 -8,-0.0 3,-0.1 0.519 63.1 166.1 105.6 103.1 4.8 69.7 10.5 271 293 B X + 0 0 0 1,-0.2 58,-2.2 -8,-0.2 2,-0.5 0.665 58.3 64.3-114.0 -35.0 3.7 70.6 14.0 272 294 B L E + M 0 328C 0 56,-0.2 -10,-2.5 -9,-0.2 -9,-0.5 -0.893 61.3 168.2-107.1 124.5 6.8 69.9 16.2 273 295 B Y E -LM 261 327C 3 54,-2.4 54,-2.2 -2,-0.5 -12,-0.2 -0.813 48.3 -69.6-125.9 163.2 9.9 72.0 15.6 274 296 B D E > - 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0 0 80 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.387 41.9 -98.4 -68.0 166.3 14.2 90.1 21.4 285 307 B A H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.918 126.1 47.0 -56.8 -43.6 18.0 89.7 21.8 286 308 B E H > S+ 0 0 167 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 113.0 48.1 -64.7 -45.0 17.7 90.2 25.6 287 309 B Q H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 110.9 52.2 -59.5 -40.1 14.9 87.8 25.9 288 310 B Y H X S+ 0 0 46 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.914 106.6 51.9 -66.7 -44.8 16.8 85.3 23.8 289 311 B D H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.912 111.8 47.6 -56.6 -46.4 19.9 85.5 26.0 290 312 B R H X S+ 0 0 101 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 110.9 51.8 -59.5 -46.4 17.8 84.9 29.1 291 313 B F H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.926 108.7 50.1 -55.6 -48.3 16.1 82.0 27.4 292 314 B I H X S+ 0 0 43 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.904 109.4 51.2 -62.6 -39.0 19.5 80.4 26.5 293 315 B S H X S+ 0 0 72 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.938 115.8 41.7 -61.3 -46.7 20.7 80.7 30.1 294 316 B C H X S+ 0 0 20 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.887 112.7 54.1 -68.1 -40.4 17.5 79.0 31.3 295 317 B L H X S+ 0 0 7 -4,-3.3 4,-3.4 1,-0.2 3,-0.3 0.914 106.3 52.1 -59.0 -42.8 17.5 76.4 28.5 296 318 B D H < S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 108.6 50.7 -69.8 -26.0 21.1 75.3 29.4 297 319 B K H < S+ 0 0 128 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.814 117.9 39.6 -75.5 -32.0 20.1 74.8 33.0 298 320 B A H < S+ 0 0 0 -4,-1.5 -70,-3.1 -3,-0.3 2,-1.1 0.908 113.8 50.7 -84.7 -49.8 17.1 72.7 32.0 299 321 B V E < +H 227 0A 9 -4,-3.4 -72,-0.2 -72,-0.2 -1,-0.2 -0.773 66.3 168.7 -94.7 92.7 18.6 70.6 29.1 300 322 B V E + 0 0 70 -74,-1.5 2,-0.3 -2,-1.1 -1,-0.2 0.650 64.2 19.3 -84.3 -14.7 21.7 69.3 30.8 301 323 B Y E +H 226 0A 35 -75,-1.1 -75,-2.7 -3,-0.1 2,-0.3 -0.980 65.3 161.6-154.4 139.1 22.7 66.8 28.1 302 324 B K E +H 225 0A 93 -2,-0.3 2,-0.3 -77,-0.2 -77,-0.2 -0.972 4.3 171.6-155.3 152.5 21.8 66.4 24.4 303 325 B A E -H 224 0A 13 -79,-2.1 -79,-2.6 -2,-0.3 2,-0.3 -0.973 5.9-171.8-157.7 152.3 23.1 64.5 21.4 304 326 B H E -H 223 0A 62 -2,-0.3 -81,-0.2 -81,-0.2 4,-0.1 -0.990 23.1-126.5-146.7 145.0 21.9 63.8 17.8 305 327 B T - 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A 0 676G 0 -14,-2.6 4,-1.8 -2,-0.3 52,-0.2 -0.397 43.6-137.8 -58.1 129.0 29.3 74.9 57.9 625 297 D F H > S+ 0 0 0 50,-2.5 4,-2.3 1,-0.2 5,-0.2 0.921 101.4 50.0 -60.2 -46.8 28.4 76.4 61.3 626 298 D N H > S+ 0 0 24 49,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.907 107.4 54.1 -58.2 -45.4 31.4 78.7 61.4 627 299 D D H > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.880 111.1 45.6 -59.1 -42.0 30.7 80.1 57.9 628 300 D Y H >X S+ 0 0 0 -4,-1.8 3,-0.6 2,-0.2 4,-0.6 0.932 114.0 46.8 -64.6 -50.3 27.1 81.0 58.8 629 301 D I H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-1.1 0.881 105.5 60.7 -64.8 -37.7 27.9 82.6 62.1 630 302 D K H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 101.5 54.1 -56.2 -32.8 30.8 84.6 60.5 631 303 D Q H << S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.721 118.2 34.7 -72.4 -24.2 28.3 86.3 58.2 632 304 D L H << S+ 0 0 18 -3,-1.1 -2,-0.2 -4,-0.6 2,-0.2 0.685 99.6 87.9-105.4 -26.4 26.1 87.5 61.1 633 305 D A < - 0 0 21 -4,-2.4 2,-0.1 1,-0.1 -41,-0.1 -0.463 68.1-129.0 -84.5 147.3 28.6 88.3 64.0 634 306 D T > - 0 0 81 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.420 43.0 -97.2 -74.2 169.5 30.4 91.5 64.8 635 307 D A H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.901 126.3 44.5 -57.9 -45.0 34.2 91.0 65.3 636 308 D E H > S+ 0 0 167 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 114.3 49.9 -66.6 -41.4 33.9 90.8 69.1 637 309 D Q H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.847 111.4 50.0 -62.7 -38.1 30.9 88.5 68.9 638 310 D Y H X S+ 0 0 45 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.877 107.6 51.9 -68.9 -41.0 32.9 86.3 66.4 639 311 D D H X S+ 0 0 111 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.907 111.8 47.4 -64.8 -38.8 36.0 86.1 68.7 640 312 D R H X S+ 0 0 105 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 111.9 51.2 -62.4 -47.3 33.8 84.9 71.6 641 313 D F H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.929 109.4 48.8 -54.0 -51.0 32.1 82.4 69.2 642 314 D I H X S+ 0 0 46 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.884 110.2 51.9 -60.9 -39.4 35.5 81.0 68.1 643 315 D S H X S+ 0 0 64 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.903 114.8 42.1 -62.6 -43.9 36.7 80.6 71.7 644 316 D C H X S+ 0 0 17 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.888 113.1 53.4 -68.7 -42.1 33.5 78.7 72.6 645 317 D L H X S+ 0 0 6 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.902 106.8 52.1 -59.9 -42.3 33.6 76.7 69.4 646 318 D D H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.783 109.0 50.2 -68.3 -28.7 37.1 75.5 70.1 647 319 D K H < S+ 0 0 115 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.803 117.8 40.2 -74.2 -30.7 36.2 74.4 73.6 648 320 D A H < S+ 0 0 0 -4,-1.6 -70,-3.2 1,-0.2 2,-1.1 0.920 113.5 50.8 -84.4 -49.1 33.2 72.4 72.2 649 321 D V E < +V 577 0E 9 -4,-3.2 -1,-0.2 -72,-0.2 -72,-0.2 -0.799 65.8 167.9 -95.0 96.5 34.7 70.9 69.0 650 322 D V E + 0 0 71 -74,-1.6 2,-0.3 -2,-1.1 -1,-0.2 0.590 64.1 19.5 -91.0 -15.7 37.9 69.4 70.4 651 323 D Y E +V 576 0E 36 -75,-1.1 -75,-2.6 2,-0.0 2,-0.3 -0.956 65.6 161.5-150.6 140.5 38.9 67.3 67.4 652 324 D K E +V 575 0E 94 -2,-0.3 2,-0.3 -77,-0.2 -77,-0.2 -0.979 5.2 173.3-153.8 156.1 37.9 67.4 63.7 653 325 D A E -V 574 0E 13 -79,-2.2 -79,-2.5 -2,-0.3 2,-0.3 -0.983 4.2-174.8-158.2 150.6 39.2 66.2 60.4 654 326 D H E -V 573 0E 63 -2,-0.3 -81,-0.2 -81,-0.2 4,-0.1 -0.982 23.0-127.2-148.8 145.5 38.2 66.1 56.7 655 327 D T - 0 0 0 -83,-2.5 14,-0.2 -2,-0.3 -84,-0.1 -0.378 45.4 -97.7 -75.2 164.9 39.3 64.7 53.5 656 328 D P S S+ 0 0 93 0, 0.0 13,-2.3 0, 0.0 2,-0.3 0.869 107.0 25.5 -54.7 -37.6 39.7 67.1 50.5 657 329 D K E -B 668 0H 98 -87,-0.5 -85,-0.5 11,-0.3 2,-0.4 -0.885 68.2-146.8-126.3 157.9 36.2 66.0 49.2 658 330 D S E -B 667 0H 0 9,-2.3 9,-2.6 -2,-0.3 2,-0.4 -0.972 20.0-130.6-123.3 139.9 33.1 64.6 50.6 659 331 D Y E -B 666 0H 34 -2,-0.4 2,-0.5 -128,-0.3 -128,-0.3 -0.783 16.1-164.3 -97.6 132.0 30.8 62.2 48.7 660 332 D Y E >>> -B 665 0H 1 5,-2.5 5,-1.2 -2,-0.4 4,-1.1 -0.959 11.9-152.1-119.5 120.8 27.0 62.7 48.5 661 333 D A G >45S+ 0 0 59 -2,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.867 91.6 57.6 -58.6 -44.0 24.7 59.9 47.4 662 334 D A G 345S+ 0 0 47 -48,-0.5 -1,-0.2 1,-0.2 -45,-0.1 0.738 115.2 35.4 -63.4 -27.8 21.9 62.0 45.9 663 335 D I G <45S- 0 0 74 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.461 100.8-130.3-103.0 -9.1 24.3 63.8 43.4 664 336 D G T <<5S+ 0 0 6 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.878 72.1 90.9 65.9 38.0 26.5 60.8 42.7 665 337 D N E - 0 0 31 3,-0.2 3,-2.3 1,-0.1 7,-0.2 -0.984 33.0-121.6-136.2 148.3 16.0 80.6 53.6 682 354 D E T 3 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 -80,-0.0 0.789 112.5 57.5 -59.4 -30.2 13.1 82.5 52.2 683 355 D S T 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.549 103.2 56.0 -75.2 -10.2 12.3 79.6 49.8 684 356 D L <> + 0 0 3 -3,-2.3 4,-1.9 1,-0.1 3,-0.4 -0.338 55.4 143.8-122.3 55.1 11.9 77.1 52.7 685 357 D P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.848 74.0 54.8 -63.5 -34.4 9.3 78.4 55.1 686 358 D K H > S+ 0 0 110 -214,-0.3 4,-1.8 2,-0.2 5,-0.2 0.854 107.2 51.3 -65.3 -34.0 7.8 75.0 55.9 687 359 D X H > S+ 0 0 0 -215,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.927 110.5 48.8 -68.6 -43.4 11.3 73.8 56.9 688 360 D L H X S+ 0 0 11 -4,-1.9 4,-2.8 -7,-0.2 -2,-0.2 0.913 108.5 53.9 -62.6 -40.5 11.7 76.8 59.3 689 361 D E H X S+ 0 0 94 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.921 111.6 44.7 -62.9 -41.3 8.3 76.2 60.9 690 362 D W H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.922 111.9 52.6 -64.5 -46.3 9.2 72.6 61.7 691 363 D Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 7,-0.3 0.929 109.7 49.6 -55.0 -45.5 12.6 73.7 63.0 692 364 D K H < S+ 0 0 72 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.875 117.4 39.3 -61.3 -42.9 11.0 76.2 65.3 693 365 D Q H < S+ 0 0 136 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.790 130.0 24.2 -79.9 -31.3 8.5 73.8 66.7 694 366 D R H < S+ 0 0 73 -4,-2.5 2,-0.6 -5,-0.1 -3,-0.2 0.567 101.4 75.0-116.2 -14.9 10.7 70.7 67.0 695 367 D V >X - 0 0 3 -4,-2.3 3,-1.5 -5,-0.3 4,-0.6 -0.927 62.6-151.9-110.3 112.8 14.4 71.5 67.3 696 368 D G H 3> S+ 0 0 31 -2,-0.6 4,-2.0 1,-0.3 3,-0.1 0.810 89.3 69.4 -55.7 -32.3 15.4 72.9 70.7 697 369 D W H 3> S+ 0 0 0 -184,-0.2 4,-2.1 1,-0.2 5,-0.4 0.854 90.4 62.5 -53.9 -36.1 18.3 74.9 69.3 698 370 D Y H <>>S+ 0 0 30 -3,-1.5 4,-2.9 -7,-0.3 5,-0.6 0.955 108.9 38.1 -58.0 -57.0 15.8 77.3 67.6 699 371 D K H X5S+ 0 0 143 -4,-0.6 4,-0.9 -7,-0.2 -1,-0.2 0.881 115.3 57.1 -61.4 -35.6 14.2 78.5 70.8 700 372 D A H <5S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 124.6 16.0 -65.5 -36.3 17.6 78.5 72.6 701 373 D V H <5S+ 0 0 0 -4,-2.1 -108,-0.2 -3,-0.4 -2,-0.2 0.688 127.6 45.8-115.4 -23.0 19.4 80.8 70.2 702 374 D Y H <5 0 0 20 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.684 360.0 360.0 -96.4 -20.7 16.8 82.7 68.1 703 375 D E << 0 0 139 -4,-0.9 -109,-0.1 -5,-0.6 -108,-0.1 -0.765 360.0 360.0-114.8 360.0 14.4 83.6 70.9