==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAR-11 3R95 . COMPND 2 MOLECULE: MCCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.K.NAIR,V.AGARWAL . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 0 0 0 0 0 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 2 0 0 4 4 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 0 0 0 0 1 1 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 4 A D > 0 0 122 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.7 38.3 16.3 8.5 2 5 A V T 3 + 0 0 136 1,-0.3 8,-0.0 3,-0.0 0, 0.0 0.617 360.0 69.4 -70.8 -13.2 37.2 12.7 8.1 3 6 A S T 3 S+ 0 0 15 1,-0.1 7,-3.0 6,-0.1 2,-1.1 0.635 82.1 80.9 -78.1 -15.6 40.6 11.7 6.7 4 7 A L B < +A 9 0A 77 -3,-1.5 5,-0.2 5,-0.2 -1,-0.1 -0.789 69.1 170.7 -93.0 95.3 42.1 12.2 10.1 5 8 A T - 0 0 47 3,-2.3 3,-0.4 -2,-1.1 -2,-0.1 -0.552 48.3-106.6-103.6 166.5 41.2 9.0 11.8 6 9 A P S S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 13,-0.1 0.817 120.2 45.6 -62.9 -28.9 42.2 7.5 15.2 7 10 A S S S- 0 0 73 1,-0.2 12,-2.3 11,-0.1 2,-0.3 0.656 126.5 -64.3 -87.1 -19.5 44.5 4.9 13.4 8 11 A G E - B 0 18A 0 -3,-0.4 -3,-2.3 10,-0.3 2,-0.5 -0.988 64.8 -46.7 161.1-169.8 46.1 7.3 11.0 9 12 A I E -AB 4 17A 1 8,-2.4 8,-3.0 -2,-0.3 2,-0.7 -0.856 44.5-138.6-102.5 121.6 45.8 9.7 8.1 10 13 A K E + B 0 16A 86 -7,-3.0 6,-0.2 -2,-0.5 3,-0.1 -0.710 23.6 175.5 -84.1 112.3 43.8 8.5 5.1 11 14 A V - 0 0 11 4,-1.9 2,-0.2 -2,-0.7 -1,-0.2 0.937 63.3 -39.0 -79.9 -53.4 45.6 9.6 1.9 12 15 A N S S- 0 0 20 3,-1.6 -1,-0.3 -9,-0.0 3,-0.1 -0.840 80.2 -62.5-154.6-168.2 43.2 7.9 -0.6 13 16 A D S S+ 0 0 90 -2,-0.2 3,-0.0 1,-0.2 306,-0.0 0.780 133.7 30.3 -55.6 -30.1 41.2 4.7 -1.1 14 17 A E S S+ 0 0 79 1,-0.1 65,-2.7 64,-0.1 2,-0.5 0.618 111.5 66.9-106.4 -19.7 44.4 2.6 -1.1 15 18 A I E + C 0 78A 1 63,-0.2 -4,-1.9 -3,-0.1 -3,-1.6 -0.929 46.5 169.2-118.9 127.3 46.8 4.5 1.2 16 19 A T E -BC 10 77A 28 61,-2.1 61,-3.2 -2,-0.5 2,-0.8 -0.996 27.5-140.4-128.5 138.5 46.7 5.2 4.9 17 20 A L E -BC 9 76A 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.869 29.4-149.9 -98.8 104.0 49.5 6.6 7.0 18 21 A L E -BC 8 75A 11 57,-3.1 57,-2.6 -2,-0.8 -10,-0.3 -0.521 12.5-123.1 -81.4 136.3 49.3 4.7 10.3 19 22 A Y - 0 0 80 -12,-2.3 55,-0.1 -2,-0.2 -1,-0.1 -0.598 48.7 -96.0 -67.4 133.8 50.4 6.0 13.7 20 23 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.189 51.4 169.2 -56.7 145.5 53.0 3.6 15.0 21 24 A A > - 0 0 29 -3,-0.1 3,-1.8 1,-0.0 4,-0.2 -0.962 46.0-114.3-152.9 151.5 51.9 0.8 17.4 22 25 A L G > S+ 0 0 86 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.756 108.9 73.4 -60.8 -25.6 53.7 -2.3 18.7 23 26 A K G 3 S+ 0 0 166 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.720 91.1 58.1 -60.4 -22.4 51.3 -4.6 16.8 24 27 A Y G <> S+ 0 0 29 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.505 78.1 98.5 -85.3 -4.9 53.1 -3.6 13.6 25 28 A A H <> S+ 0 0 7 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.856 81.8 45.0 -53.9 -47.6 56.5 -4.8 14.8 26 29 A E H > S+ 0 0 129 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.936 115.0 45.3 -66.5 -49.6 56.5 -8.2 13.0 27 30 A E H > S+ 0 0 73 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.905 114.1 50.4 -61.9 -42.9 55.3 -7.1 9.6 28 31 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 109.8 50.7 -61.1 -45.1 57.7 -4.1 9.6 29 32 A Y H X S+ 0 0 43 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.927 110.2 48.7 -58.3 -48.0 60.6 -6.4 10.5 30 33 A L H X S+ 0 0 94 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.876 110.3 52.2 -61.5 -38.4 59.8 -8.8 7.7 31 34 A L H X S+ 0 0 21 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.920 111.6 46.0 -61.7 -46.3 59.6 -5.9 5.2 32 35 A I H >X S+ 0 0 8 -4,-2.3 4,-0.6 2,-0.2 3,-0.6 0.928 112.1 50.7 -62.6 -46.9 63.0 -4.6 6.3 33 36 A N H >< S+ 0 0 83 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.890 108.4 52.4 -59.2 -42.4 64.6 -8.1 6.1 34 37 A Q H 3< S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 119.7 35.6 -61.4 -29.6 63.2 -8.6 2.6 35 38 A N H S+ 0 0 142 -4,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.922 118.4 40.3 -61.6 -46.9 70.4 -5.7 0.6 38 41 A N H >4 S+ 0 0 60 1,-0.2 3,-0.7 -4,-0.2 4,-0.3 0.874 114.0 54.2 -68.5 -37.1 68.8 -3.0 -1.6 39 42 A F H >X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 3,-1.5 0.810 96.3 65.1 -67.2 -33.5 68.2 -0.6 1.3 40 43 A I H 3< S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 92.4 65.0 -60.7 -27.9 71.9 -0.7 2.5 41 44 A K T << S+ 0 0 168 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.721 119.1 20.0 -65.1 -22.9 72.8 1.0 -0.9 42 45 A S T <4 S+ 0 0 38 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.568 120.1 48.2-125.5 -16.8 70.8 4.2 0.1 43 46 A M < - 0 0 30 -4,-2.1 4,-0.2 1,-0.1 -1,-0.2 -0.949 58.5-142.9-136.9 153.5 70.3 4.3 3.9 44 47 A A S S+ 0 0 51 -2,-0.3 3,-0.4 1,-0.1 4,-0.1 0.750 90.3 61.0 -87.5 -27.2 72.5 3.8 7.0 45 48 A W S > S+ 0 0 89 1,-0.2 3,-2.1 2,-0.1 4,-0.2 0.782 83.4 73.4 -76.2 -30.9 70.1 2.0 9.4 46 49 A P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.795 88.6 62.3 -60.8 -30.2 69.3 -1.3 7.5 47 50 A A G 3 S+ 0 0 48 -3,-0.4 -2,-0.1 1,-0.3 -3,-0.1 0.643 103.4 53.2 -65.7 -14.0 72.7 -2.8 8.2 48 51 A F G < S+ 0 0 161 -3,-2.1 2,-0.7 -4,-0.1 -1,-0.3 0.303 83.7 96.0-107.3 5.5 71.8 -2.6 12.0 49 52 A V < + 0 0 15 -3,-1.4 3,-0.1 -4,-0.2 -13,-0.0 -0.888 36.0 143.5 -97.9 114.9 68.5 -4.4 11.8 50 53 A N + 0 0 110 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.551 60.8 16.4-126.4 -18.4 69.1 -8.1 12.7 51 54 A N S >> S- 0 0 65 1,-0.0 3,-1.6 0, 0.0 4,-0.7 -0.947 81.1 -94.7-154.1 167.3 66.0 -9.2 14.7 52 55 A I H >> S+ 0 0 79 -2,-0.3 4,-2.3 1,-0.3 3,-0.6 0.776 116.5 68.1 -59.9 -28.1 62.4 -8.3 15.6 53 56 A S H 3> S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.760 93.9 57.5 -64.5 -25.3 63.6 -6.6 18.7 54 57 A D H <> S+ 0 0 50 -3,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.804 107.6 47.6 -71.8 -31.8 65.2 -3.9 16.5 55 58 A S H S+ 0 0 26 -4,-2.5 5,-2.1 1,-0.2 6,-1.2 0.873 113.2 50.4 -66.5 -37.2 58.9 11.1 19.5 66 69 A N H ><5S+ 0 0 33 -4,-2.6 3,-1.2 3,-0.2 -1,-0.2 0.922 107.9 53.6 -63.7 -45.2 55.4 11.3 18.1 67 70 A Q H 3<5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 117.0 37.3 -54.3 -43.0 53.9 11.9 21.5 68 71 A N T 3<5S- 0 0 112 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.270 109.5-120.3 -98.4 9.2 56.2 14.8 22.1 69 72 A E T < 5S+ 0 0 111 -3,-1.2 -3,-0.2 -4,-0.2 -4,-0.1 0.742 74.6 130.2 56.3 27.7 56.1 16.1 18.5 70 73 A K S -CD 15 81A 19 3,-3.0 3,-2.1 -2,-0.6 2,-0.3 -0.971 66.2 -45.2-116.7 115.6 49.0 0.2 0.9 79 82 A K T 3 S- 0 0 118 -65,-2.7 -63,-0.1 -2,-0.5 -2,-0.0 -0.494 126.3 -22.2 56.5-118.1 45.9 -2.0 0.5 80 83 A T T 3 S+ 0 0 109 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.445 124.1 79.7 -97.8 0.4 46.4 -4.6 3.3 81 84 A K E < S-D 78 0A 119 -3,-2.1 -3,-3.0 -54,-0.0 2,-0.5 -0.818 79.1-116.6-118.8 146.6 50.2 -4.3 3.7 82 85 A I E -D 77 0A 3 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.704 33.3-179.4 -72.8 122.2 52.7 -2.1 5.4 83 86 A A E - 0 0 0 -7,-3.3 22,-2.8 -2,-0.5 2,-0.3 0.652 48.8 -68.6-101.5 -22.5 54.7 -0.7 2.4 84 87 A G E -DE 76 104A 0 -8,-1.0 -8,-2.4 20,-0.2 2,-0.4 -0.981 57.5 -61.9 162.1-156.1 57.2 1.5 4.2 85 88 A V E -DE 75 103A 6 18,-1.8 18,-2.1 -2,-0.3 2,-0.4 -0.989 26.6-174.1-133.2 134.8 57.7 4.6 6.2 86 89 A V E +DE 74 102A 0 -12,-2.0 -12,-1.9 -2,-0.4 2,-0.3 -0.988 27.0 165.7-122.3 142.4 57.1 8.3 5.6 87 90 A S E -DE 73 101A 4 14,-2.5 14,-2.1 -2,-0.4 2,-0.8 -0.979 53.9-130.0-150.7 154.0 58.2 10.8 8.2 88 91 A F E -DE 72 100A 1 -16,-2.3 -16,-2.5 -2,-0.3 12,-0.3 -0.961 36.2-172.8 -94.3 99.6 59.0 14.2 9.5 89 92 A N E S+ 0 0 85 10,-2.1 2,-0.4 -2,-0.8 11,-0.1 0.840 72.5 21.6 -64.2 -33.8 62.3 13.0 10.8 90 93 A I E - E 0 99A 97 9,-1.0 9,-2.7 -3,-0.1 2,-0.5 -0.999 67.6-164.0-134.5 132.1 62.9 16.3 12.5 91 94 A I E - E 0 98A 25 -21,-1.4 2,-0.9 -2,-0.4 7,-0.2 -0.978 2.9-166.1-116.2 116.1 60.2 18.9 13.5 92 95 A D E > + E 0 97A 46 5,-3.4 5,-2.5 -2,-0.5 4,-0.2 -0.845 8.9 179.0 -99.4 94.5 61.6 22.4 14.2 93 96 A H T > 5S+ 0 0 90 -2,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.900 76.3 58.7 -65.0 -43.1 58.7 24.1 15.9 94 97 A A T 3 5S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.847 119.3 30.6 -54.9 -38.3 60.5 27.4 16.5 95 98 A N T 3 5S- 0 0 109 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.246 106.0-124.5-106.7 10.6 61.1 27.8 12.8 96 99 A K T < 5 + 0 0 113 -3,-1.2 36,-2.2 -4,-0.2 37,-2.2 0.886 63.5 142.9 45.6 49.6 57.9 25.9 11.7 97 100 A T E < -Ef 92 133A 9 -5,-2.5 -5,-3.4 35,-0.2 2,-0.4 -0.961 35.8-165.6-125.1 134.4 60.1 23.5 9.6 98 101 A A E -Ef 91 134A 0 35,-2.4 37,-2.6 -2,-0.4 2,-0.5 -0.979 10.9-148.7-120.5 133.6 59.7 19.8 8.9 99 102 A Y E -Ef 90 135A 63 -9,-2.7 -10,-2.1 -2,-0.4 -9,-1.0 -0.895 22.9-142.5-102.6 122.5 62.4 17.6 7.5 100 103 A I E +Ef 88 136A 11 35,-3.3 37,-0.5 -2,-0.5 2,-0.3 -0.631 20.7 178.2 -96.5 139.9 61.0 14.7 5.4 101 104 A G E +E 87 0A 9 -14,-2.1 -14,-2.5 -2,-0.3 2,-0.3 -0.945 6.2 172.1-131.0 156.5 62.2 11.1 5.1 102 105 A Y E +E 86 0A 38 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.982 11.3 171.7-160.4 149.0 60.8 8.1 3.2 103 106 A W E -E 85 0A 29 -18,-2.1 -18,-1.8 -2,-0.3 2,-0.3 -0.960 8.9-165.8-154.9 152.0 61.3 4.5 2.1 104 107 A L E -E 84 0A 19 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.991 29.7-107.1-133.9 144.0 59.3 1.8 0.4 105 108 A G > - 0 0 0 -22,-2.8 3,-2.3 -2,-0.3 4,-0.5 -0.343 40.4-109.2 -59.7 148.9 59.8 -1.9 -0.1 106 109 A A G > S+ 0 0 51 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.834 118.2 58.6 -51.0 -38.9 60.8 -2.9 -3.6 107 110 A N G 3 S+ 0 0 139 1,-0.2 -1,-0.3 -24,-0.0 -2,-0.1 0.555 107.5 47.7 -71.8 -6.5 57.3 -4.4 -4.3 108 111 A F G X S+ 0 0 21 -3,-2.3 3,-0.6 -25,-0.2 5,-0.4 0.387 88.1 105.1-114.1 -0.9 55.7 -1.1 -3.5 109 112 A Q T < + 0 0 76 -3,-1.1 -4,-0.0 -4,-0.5 -3,-0.0 -0.459 68.7 38.6 -80.6 153.7 57.9 1.2 -5.6 110 113 A G T 3 S+ 0 0 88 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.652 90.6 95.5 83.3 18.4 56.6 2.6 -8.9 111 114 A K S < S- 0 0 95 -3,-0.6 -2,-0.1 0, 0.0 -3,-0.0 0.303 94.6-114.3-121.5 3.6 53.1 3.2 -7.6 112 115 A G S > S+ 0 0 36 3,-0.1 4,-2.6 1,-0.0 5,-0.2 0.651 70.9 138.0 69.4 17.9 53.3 6.9 -6.5 113 116 A I H > S+ 0 0 2 -5,-0.4 4,-2.1 2,-0.2 5,-0.1 0.904 70.3 41.0 -63.4 -46.6 52.8 5.9 -2.9 114 117 A V H > S+ 0 0 10 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.905 114.2 52.5 -72.4 -41.0 55.4 8.3 -1.4 115 118 A T H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.939 112.3 45.9 -57.6 -48.1 54.4 11.2 -3.6 116 119 A N H X S+ 0 0 18 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.902 113.4 50.1 -61.1 -41.4 50.7 10.8 -2.6 117 120 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.922 111.9 46.9 -61.9 -46.7 51.8 10.5 1.1 118 121 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.928 109.6 52.8 -64.8 -47.0 53.9 13.6 0.9 119 122 A N H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.906 110.3 49.6 -52.5 -45.0 51.2 15.7 -0.8 120 123 A K H X S+ 0 0 23 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.913 110.9 48.9 -62.0 -44.4 48.7 14.7 1.9 121 124 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.888 111.1 49.4 -63.6 -39.9 51.1 15.6 4.7 122 125 A I H X>S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 5,-0.9 0.886 111.8 49.7 -69.4 -38.3 51.9 19.0 3.1 123 126 A Q H X5S+ 0 0 28 -4,-2.2 4,-1.2 -5,-0.2 5,-0.3 0.967 116.1 41.9 -56.5 -54.5 48.1 19.7 2.7 124 127 A E H <5S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 6,-0.2 0.869 129.2 25.9 -67.5 -40.8 47.4 18.7 6.4 125 128 A Y H <>S+ 0 0 59 -4,-2.8 6,-2.4 -5,-0.2 5,-1.1 0.750 126.9 43.5 -95.6 -28.5 50.4 20.5 8.0 126 129 A G H ><5S+ 0 0 2 -4,-2.1 3,-1.4 -5,-0.4 -3,-0.2 0.933 113.9 44.7 -84.3 -51.2 51.1 23.2 5.5 127 130 A D T 3< - 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0 0 0 -22,-2.8 3,-2.4 -2,-0.4 4,-0.4 -0.397 40.1-111.8 -59.0 146.5 38.9 5.8 -23.5 282 109 B A G > S+ 0 0 53 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.829 116.5 62.2 -56.6 -34.1 39.2 2.6 -21.5 283 110 B N G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -24,-0.0 -2,-0.0 0.636 106.8 46.8 -64.9 -13.8 42.2 1.5 -23.6 284 111 B F G X S+ 0 0 29 -3,-2.4 3,-0.5 -25,-0.2 5,-0.4 0.388 89.7 105.8-111.0 -1.4 44.1 4.6 -22.3 285 112 B Q T < + 0 0 66 -3,-1.3 -4,-0.0 -4,-0.4 -3,-0.0 -0.394 66.0 39.3 -78.7 157.5 43.2 4.3 -18.6 286 113 B G T 3 S+ 0 0 82 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.611 90.2 94.2 83.1 15.4 45.7 3.2 -15.9 287 114 B K S < S- 0 0 103 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.0 0.334 95.2-112.6-121.7 2.3 48.7 5.1 -17.5 288 115 B G S > S+ 0 0 33 3,-0.0 4,-2.6 4,-0.0 5,-0.2 0.628 71.6 137.1 74.8 15.0 48.7 8.4 -15.6 289 116 B I H > S+ 0 0 2 -5,-0.4 4,-2.2 2,-0.2 5,-0.1 0.914 71.2 40.4 -62.8 -47.8 47.7 10.3 -18.7 290 117 B V H > S+ 0 0 8 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.906 114.9 52.2 -70.2 -42.3 45.1 12.6 -17.1 291 118 B T H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 113.4 44.5 -57.4 -47.6 47.1 13.2 -14.0 292 119 B N H X S+ 0 0 65 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.891 114.0 50.8 -64.6 -38.4 50.1 14.2 -16.1 293 120 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.939 112.2 45.8 -62.7 -49.0 47.9 16.4 -18.3 294 121 B I H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.905 109.3 55.4 -62.7 -43.2 46.3 18.2 -15.4 295 122 B N H X S+ 0 0 70 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.904 110.2 46.4 -56.8 -42.4 49.7 18.7 -13.7 296 123 B K H X S+ 0 0 43 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.915 112.0 50.0 -65.9 -44.8 50.9 20.4 -16.9 297 124 B L H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.870 110.9 49.1 -62.2 -38.5 47.8 22.6 -17.3 298 125 B I H X S+ 0 0 12 -4,-2.6 4,-1.8 2,-0.2 5,-0.3 0.878 112.2 49.4 -69.1 -37.9 48.1 23.8 -13.6 299 126 B Q H X S+ 0 0 85 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.951 115.7 43.0 -61.2 -50.4 51.7 24.6 -14.2 300 127 B E H X S+ 0 0 80 -4,-2.9 4,-1.1 1,-0.2 6,-0.2 0.943 123.5 33.9 -64.3 -51.4 50.9 26.6 -17.4 301 128 B Y H <>S+ 0 0 55 -4,-2.7 6,-2.0 2,-0.2 5,-0.9 0.749 121.0 50.4 -79.7 -24.9 47.9 28.5 -16.2 302 129 B G H ><5S+ 0 0 5 -4,-1.8 3,-1.4 -5,-0.3 -3,-0.2 0.935 110.6 46.6 -75.1 -50.5 49.2 28.8 -12.6 303 130 B D H 3<5S+ 0 0 134 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.790 109.8 55.3 -62.9 -30.8 52.6 30.1 -13.5 304 131 B S T 3<5S- 0 0 76 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.428 109.5-123.3 -84.5 -0.4 51.1 32.7 -15.9 305 132 B G T < 5S+ 0 0 32 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.520 80.5 116.2 73.3 7.6 48.8 34.1 -13.2 306 133 B V S - N 0 349B 14 -2,-0.3 3,-1.6 34,-0.3 34,-0.3 -0.246 35.4-126.3 -56.2 136.7 30.1 12.2 -8.0 316 143 B V T 3 S+ 0 0 67 32,-2.1 -1,-0.1 1,-0.3 33,-0.1 0.882 109.2 52.0 -54.7 -41.4 31.0 10.6 -4.6 317 144 B D T 3 S+ 0 0 146 31,-0.3 2,-1.5 1,-0.1 -1,-0.3 0.561 81.4 100.9 -76.4 -9.5 30.5 7.1 -6.1 318 145 B N <> - 0 0 48 -3,-1.6 4,-2.0 1,-0.2 5,-0.2 -0.627 53.3-176.4 -79.2 91.8 32.8 7.7 -9.1 319 146 B K H > S+ 0 0 122 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.912 75.5 44.7 -58.2 -50.6 35.8 5.9 -7.8 320 147 B K H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.840 111.7 51.3 -69.0 -35.8 38.2 6.7 -10.6 321 148 B S H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 112.2 46.5 -69.5 -41.6 37.4 10.4 -10.9 322 149 B N H X S+ 0 0 10 -4,-2.0 4,-2.3 -7,-0.2 -2,-0.2 0.902 110.7 54.3 -61.0 -42.5 37.9 10.9 -7.2 323 150 B A H X S+ 0 0 24 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.899 107.7 49.8 -59.1 -42.3 41.1 9.0 -7.3 324 151 B T H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.927 108.2 52.3 -63.6 -45.9 42.4 11.3 -10.1 325 152 B A H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 -2,-0.2 0.926 113.7 43.8 -55.6 -45.9 41.5 14.4 -8.2 326 153 B L H ><5S+ 0 0 42 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.892 110.1 55.8 -66.2 -41.6 43.5 13.1 -5.2 327 154 B R H 3<5S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 103.1 56.5 -57.9 -33.3 46.4 12.0 -7.4 328 155 B C T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.353 122.9-105.8 -84.9 3.7 46.6 15.5 -8.8 329 156 B G T < 5 + 0 0 9 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.742 67.0 152.8 80.0 26.2 47.1 16.9 -5.2 330 157 B F < - 0 0 1 -5,-1.9 2,-0.4 24,-0.1 -1,-0.2 -0.601 37.7-133.6 -85.2 149.1 43.7 18.4 -4.8 331 158 B T E -O 353 0B 49 22,-2.8 22,-2.1 -2,-0.2 2,-0.4 -0.871 19.4-115.9-105.9 135.1 42.1 18.8 -1.3 332 159 B L E +O 352 0B 73 -2,-0.4 20,-0.2 20,-0.2 3,-0.1 -0.556 30.8 179.2 -68.3 121.8 38.5 17.8 -0.5 333 160 B E E - 0 0 98 18,-3.1 2,-0.3 -2,-0.4 19,-0.2 0.709 54.6 -60.9 -96.8 -25.6 36.6 20.9 0.5 334 161 B G E -O 351 0B 26 17,-1.0 17,-2.4 2,-0.0 2,-0.5 -0.973 52.3 -73.8 166.1-176.0 33.2 19.3 1.1 335 162 B V E -O 350 0B 76 -2,-0.3 2,-0.8 15,-0.2 15,-0.2 -0.955 29.8-150.1-115.2 122.1 30.2 17.4 -0.2 336 163 B L E > -O 349 0B 56 13,-3.1 13,-2.6 -2,-0.5 3,-0.8 -0.827 26.5-130.4 -93.4 109.0 27.7 19.1 -2.5 337 164 B Q E 3 S- 0 0 159 -2,-0.8 11,-0.1 1,-0.2 10,-0.1 -0.389 74.9 -16.4 -68.6 129.5 24.4 17.3 -1.9 338 165 B K E 3 S+ 0 0 128 -2,-0.2 10,-0.3 8,-0.2 -1,-0.2 0.884 91.2 142.7 47.5 54.0 22.3 16.1 -4.8 339 166 B A E < + 0 0 51 8,-1.4 2,-0.4 -3,-0.8 9,-0.2 0.596 48.8 51.0-105.8 -17.5 24.4 18.2 -7.2 340 167 B E E -O 347 0B 56 7,-2.1 7,-3.2 -4,-0.2 2,-0.5 -0.985 65.7-149.7-131.5 127.3 24.8 16.2 -10.4 341 168 B I E +O 346 0B 106 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.820 19.7 169.0 -97.9 123.5 22.1 14.4 -12.4 342 169 B L E > S-O 345 0B 8 3,-2.3 3,-1.8 -2,-0.5 -122,-0.1 -0.999 72.4 -13.1-129.1 130.8 22.8 11.2 -14.3 343 170 B N T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.844 130.5 -49.2 50.3 42.0 20.1 9.1 -15.9 344 171 B G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.486 116.2 104.9 82.5 5.6 17.3 10.9 -13.9 345 172 B V E < - O 0 342B 69 -3,-1.8 -3,-2.3 -5,-0.0 2,-0.5 -0.964 64.3-134.4-122.2 135.2 18.9 10.7 -10.4 346 173 B S E - O 0 341B 49 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.775 28.0-166.0 -85.8 125.6 20.6 13.5 -8.5 347 174 B Y E - O 0 340B 91 -7,-3.2 -7,-2.1 -2,-0.5 -8,-1.4 -0.875 22.8-108.6-114.8 145.9 23.9 12.4 -6.9 348 175 B D E - 0 0 51 -2,-0.3 -32,-2.1 -10,-0.3 2,-0.4 -0.418 35.1-150.0 -62.6 142.6 26.2 14.0 -4.3 349 176 B Q E -NO 315 336B 17 -13,-2.6 -13,-3.1 -34,-0.3 2,-0.4 -0.918 9.5-136.7-114.0 144.6 29.4 15.5 -5.5 350 177 B N E -NO 314 335B 17 -36,-3.4 -36,-2.2 -2,-0.4 2,-0.5 -0.832 20.9-149.1 -85.6 136.5 32.8 15.8 -3.8 351 178 B I E -NO 313 334B 23 -17,-2.4 -18,-3.1 -2,-0.4 -17,-1.0 -0.960 18.1-177.0-110.2 123.8 34.3 19.3 -4.5 352 179 B Y E -NO 312 332B 10 -40,-3.1 -40,-2.3 -2,-0.5 2,-0.3 -0.876 2.9-167.8-115.9 150.5 38.1 19.4 -4.6 353 180 B S E -NO 311 331B 9 -22,-2.1 -22,-2.8 -2,-0.3 2,-0.4 -0.968 18.1-164.4-136.7 155.1 40.5 22.3 -5.1 354 181 B K E -N 310 0B 58 -44,-2.2 -44,-2.6 -2,-0.3 2,-0.4 -0.952 20.4-164.7-132.4 116.9 44.1 23.1 -5.8 355 182 B V E N 309 0B 95 -2,-0.4 -46,-0.2 -46,-0.2 -47,-0.1 -0.871 360.0 360.0-107.8 132.3 45.1 26.7 -5.0 356 183 B I 0 0 86 -48,-2.8 -2,-0.0 -2,-0.4 0, 0.0 -0.781 360.0 360.0 -93.3 360.0 48.2 28.4 -6.2