==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-DEC-12 4I8C . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.LEBRETTE,M.IANNELLO,J.C.FONTECILLA-CAMPS,C.CAVAZZA . 1500 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1030 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 229 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 135 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.5 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 2 7 2 3 5 4 9 0 3 3 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 0 1 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 PARALLEL BRIDGES PER LADDER . 8 7 3 3 17 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 3 4 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 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 2 A A > 0 0 87 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.6 28.7 42.2 -35.9 2 3 A P T 3 + 0 0 95 0, 0.0 497,-0.1 0, 0.0 0, 0.0 0.809 360.0 56.8 -69.2 -29.8 29.5 41.5 -32.2 3 4 A D T 3 S+ 0 0 37 495,-0.1 188,-3.2 187,-0.1 189,-1.2 0.252 97.7 77.6 -89.6 12.7 26.8 43.8 -30.8 4 5 A E E < -a 192 0A 84 -3,-1.0 2,-0.4 187,-0.2 189,-0.2 -0.940 63.7-167.7-116.5 143.3 24.1 42.0 -32.8 5 6 A I E -a 193 0A 3 187,-2.5 189,-2.3 -2,-0.4 2,-0.4 -0.972 12.9-147.4-132.2 149.4 22.6 38.6 -31.8 6 7 A T E +a 194 0A 37 -2,-0.4 208,-2.6 187,-0.2 209,-1.3 -0.948 27.7 158.3-113.0 135.6 20.5 36.0 -33.4 7 8 A T E -ab 195 215A 3 187,-3.2 189,-2.5 -2,-0.4 2,-0.3 -0.629 26.3-120.3-133.8-165.5 18.0 33.9 -31.4 8 9 A A E +a 196 0A 2 207,-0.6 209,-0.3 187,-0.2 189,-0.2 -0.967 18.2 177.7-145.1 161.5 14.8 31.8 -31.9 9 10 A W E -a 197 0A 46 187,-1.9 189,-2.0 -2,-0.3 4,-0.0 -0.944 36.0-123.2-158.1 148.3 11.1 31.6 -30.9 10 11 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.745 93.4 23.5 -74.5 -22.5 8.5 29.1 -32.1 11 12 A V S S- 0 0 64 187,-0.1 187,-0.1 188,-0.1 160,-0.0 -0.900 94.1 -86.5-131.9 163.1 6.1 31.8 -33.4 12 13 A N - 0 0 18 -2,-0.3 163,-0.1 1,-0.1 159,-0.0 -0.332 44.7-111.6 -59.1 153.9 6.3 35.4 -34.6 13 14 A V - 0 0 0 1,-0.2 12,-2.2 182,-0.1 3,-0.3 0.677 53.4-134.8 -65.8 -19.9 6.1 37.9 -31.7 14 15 A G - 0 0 18 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.285 42.1 -44.4 89.9-178.2 2.6 39.1 -32.9 15 16 A P - 0 0 77 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.626 68.1-132.7 -63.0 -16.8 1.1 42.6 -33.4 16 17 A L + 0 0 0 -3,-0.3 -2,-0.1 1,-0.2 150,-0.1 0.875 38.1 171.8 58.0 40.1 2.6 43.8 -30.0 17 18 A N > - 0 0 4 4,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.716 27.6-147.6 -66.7 123.1 -0.7 45.4 -28.9 18 19 A P T 3 S+ 0 0 1 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.609 91.8 48.6 -73.0 -8.5 0.2 46.3 -25.3 19 20 A H T 3 S+ 0 0 1 117,-0.1 2,-0.2 132,-0.1 132,-0.1 0.223 101.5 69.8-122.5 9.7 -3.4 45.7 -24.2 20 21 A L < - 0 0 42 -3,-0.9 132,-0.0 1,-0.2 70,-0.0 -0.753 59.5-151.1-121.4 177.0 -4.2 42.4 -25.7 21 22 A Y > + 0 0 4 1,-0.4 3,-3.0 -2,-0.2 -4,-0.2 0.331 53.8 63.0-113.7-123.9 -3.1 38.8 -25.2 22 23 A T T 3 S+ 0 0 65 1,-0.4 -1,-0.4 -8,-0.0 3,-0.1 -0.248 108.2 19.2 -48.8 130.7 -3.0 36.0 -27.8 23 24 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.891 103.9 95.8-102.6 23.1 -1.2 36.0 -30.1 24 25 A N S < S- 0 0 8 -3,-3.0 2,-0.5 -10,-0.1 -10,-0.2 -0.526 71.1-131.1 -68.2 134.8 1.1 38.6 -28.6 25 26 A Q > - 0 0 42 -12,-2.2 4,-2.2 -2,-0.2 3,-0.5 -0.768 8.5-140.9 -89.8 128.4 4.1 37.2 -26.9 26 27 A M H > S+ 0 0 14 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.839 98.2 54.8 -60.1 -38.9 4.7 38.6 -23.4 27 28 A F H > S+ 0 0 5 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.906 110.7 47.8 -64.0 -36.1 8.5 38.9 -23.5 28 29 A A H >> S+ 0 0 0 -3,-0.5 4,-1.6 2,-0.2 3,-0.7 0.913 108.8 52.7 -70.4 -44.8 8.2 41.0 -26.7 29 30 A Q H 3X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.890 109.6 51.3 -53.0 -39.6 5.5 43.2 -25.2 30 31 A S H 3< S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.695 105.1 55.3 -77.1 -18.2 8.0 43.8 -22.3 31 32 A M H << S+ 0 0 7 -4,-0.9 133,-1.1 -3,-0.7 -1,-0.2 0.842 120.1 29.9 -75.2 -38.3 10.9 44.7 -24.6 32 33 A V H < S+ 0 0 2 -4,-1.6 130,-3.0 131,-0.2 129,-0.3 0.861 117.8 52.7 -90.6 -46.0 8.9 47.5 -26.4 33 34 A Y < - 0 0 1 -4,-2.6 108,-0.1 -5,-0.3 127,-0.1 -0.686 66.0-153.4-104.0 153.4 6.5 48.7 -23.6 34 35 A E - 0 0 5 106,-0.3 106,-1.2 -2,-0.3 2,-0.2 -0.822 6.9-133.6-123.9 156.6 7.1 49.9 -20.1 35 36 A P - 0 0 0 0, 0.0 14,-1.4 0, 0.0 15,-0.1 -0.535 27.0-114.8 -97.8 170.2 5.3 50.1 -16.7 36 37 A L S S+ 0 0 0 102,-0.4 14,-2.2 96,-0.3 12,-1.9 0.899 105.4 22.9 -71.1 -42.7 5.0 52.9 -14.2 37 38 A V E S-G 47 0B 0 92,-0.2 2,-0.5 10,-0.2 -1,-0.2 -0.941 83.0-130.9-123.6 148.7 6.9 50.9 -11.6 38 39 A K E -G 46 0B 45 8,-2.4 8,-1.5 -2,-0.3 95,-0.1 -0.878 19.7-121.8-109.0 128.4 9.3 48.0 -12.2 39 40 A Y E -G 45 0B 30 -2,-0.5 2,-0.3 94,-0.3 6,-0.2 -0.290 28.6-150.5 -65.6 144.3 9.1 44.6 -10.5 40 41 A Q > - 0 0 51 4,-2.6 3,-1.9 446,-0.1 -1,-0.1 -0.821 24.5-116.8-121.7 156.1 12.2 43.5 -8.5 41 42 A A T 3 S+ 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.813 114.6 57.2 -59.1 -34.1 13.8 40.1 -7.6 42 43 A D T 3 S- 0 0 102 1,-0.1 -1,-0.3 940,-0.0 941,-0.1 0.494 125.4-100.8 -77.1 -5.1 13.3 40.8 -3.9 43 44 A G S < S+ 0 0 28 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.437 87.5 105.3 101.5 1.5 9.6 41.2 -4.5 44 45 A S - 0 0 44 -5,-0.0 -4,-2.6 85,-0.0 2,-0.3 -0.290 61.7-123.9 -97.4-174.8 9.3 45.0 -4.5 45 46 A V E -G 39 0B 24 -6,-0.2 -6,-0.2 -2,-0.1 85,-0.1 -0.911 17.1-156.0-123.6 159.8 8.8 47.6 -7.2 46 47 A I E -G 38 0B 54 -8,-1.5 -8,-2.4 -2,-0.3 2,-0.1 -0.889 37.8 -80.7-126.0 160.3 11.0 50.6 -8.0 47 48 A P E +G 37 0B 64 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.394 58.4 153.3 -60.4 135.7 10.2 53.9 -9.7 48 49 A W S S- 0 0 50 -12,-1.9 -11,-0.2 2,-0.6 -12,-0.2 0.235 75.5 -3.6-124.6-105.6 10.2 53.5 -13.5 49 50 A L S S+ 0 0 0 -14,-1.4 18,-2.1 17,-0.1 2,-0.6 0.759 132.7 65.4 -64.0 -24.7 8.1 55.7 -15.8 50 51 A A E S-H 66 0C 0 -14,-2.2 -2,-0.6 16,-0.2 16,-0.3 -0.904 71.4-164.6 -97.2 121.9 6.8 57.2 -12.5 51 52 A K E S- 0 0 122 14,-2.4 2,-0.3 -2,-0.6 15,-0.2 0.894 70.5 -21.4 -70.6 -41.7 9.6 58.9 -10.7 52 53 A S E -H 65 0C 55 13,-1.5 13,-3.0 2,-0.0 2,-0.3 -0.937 63.4-158.8-157.3 171.8 7.7 59.1 -7.4 53 54 A W E -H 64 0C 67 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.981 6.2-153.3-155.1 163.9 4.2 58.9 -6.1 54 55 A T E -H 63 0C 97 9,-1.8 9,-2.8 -2,-0.3 2,-0.4 -0.960 13.3-149.4-135.9 157.5 1.9 59.7 -3.2 55 56 A H E -H 62 0C 113 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.970 21.9-104.7-132.1 147.2 -1.3 58.1 -1.9 56 57 A S > - 0 0 19 5,-3.0 3,-2.0 -2,-0.4 -1,-0.0 -0.165 37.3-106.3 -63.0 159.1 -4.4 59.4 -0.2 57 58 A E T 3 S+ 0 0 191 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.881 124.7 47.6 -54.5 -43.3 -5.0 58.7 3.5 58 59 A D T 3 S- 0 0 86 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.395 111.1-127.0 -80.3 1.6 -7.7 56.2 2.7 59 60 A G S < S+ 0 0 9 -3,-2.0 66,-0.4 2,-0.2 64,-0.1 0.608 82.8 106.0 64.7 15.1 -5.3 54.7 0.1 60 61 A K + 0 0 79 64,-0.2 61,-3.1 1,-0.2 2,-0.5 0.702 67.8 58.8 -96.5 -21.8 -7.8 54.9 -2.7 61 62 A T E - I 0 120C 38 59,-0.2 -5,-3.0 61,-0.1 2,-0.4 -0.930 64.7-172.8-118.5 123.6 -6.4 57.8 -4.7 62 63 A W E -HI 55 119C 34 57,-3.5 57,-3.2 -2,-0.5 2,-0.6 -0.923 9.4-163.3-119.8 133.1 -2.9 57.7 -6.0 63 64 A T E -HI 54 118C 24 -9,-2.8 -9,-1.8 -2,-0.4 2,-0.4 -0.939 10.8-162.1-120.1 113.4 -1.0 60.5 -7.7 64 65 A F E -HI 53 117C 0 53,-3.1 53,-2.6 -2,-0.6 2,-0.8 -0.772 12.3-145.6 -95.8 131.3 2.1 59.6 -9.7 65 66 A T E -HI 52 116C 36 -13,-3.0 -14,-2.4 -2,-0.4 -13,-1.5 -0.856 26.7-154.7 -92.4 109.1 4.8 62.0 -10.7 66 67 A L E -H 50 0C 4 49,-2.2 -16,-0.2 -2,-0.8 2,-0.2 -0.249 22.1 -94.4 -76.9 163.6 6.0 60.9 -14.1 67 68 A R - 0 0 80 -18,-2.1 3,-0.3 1,-0.1 -1,-0.1 -0.536 25.1-153.3 -73.5 151.2 9.4 61.5 -15.7 68 69 A D S S+ 0 0 125 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.479 86.0 63.1-105.7 -7.5 9.6 64.5 -18.0 69 70 A D S S+ 0 0 75 8,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.105 76.2 117.1-105.5 19.0 12.4 63.3 -20.3 70 71 A V + 0 0 2 8,-0.3 8,-2.7 -3,-0.3 2,-0.4 -0.803 36.3 176.0-100.7 121.5 10.6 60.3 -21.7 71 72 A K B -K 77 0D 91 -2,-0.6 113,-0.2 111,-0.4 5,-0.1 -0.924 32.7-116.3-114.6 144.9 9.7 60.1 -25.4 72 73 A F > - 0 0 0 4,-2.7 3,-1.8 -2,-0.4 89,-0.3 -0.267 44.6 -98.4 -60.2 166.4 8.1 57.3 -27.3 73 74 A S T 3 S+ 0 0 20 87,-2.6 88,-0.1 1,-0.3 -1,-0.1 0.742 124.1 60.2 -67.3 -22.2 10.4 55.7 -29.9 74 75 A N T 3 S- 0 0 64 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.250 120.7-105.1 -88.1 10.4 8.7 57.8 -32.6 75 76 A G S < S+ 0 0 43 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.0 -0.075 79.9 129.0 94.7 -34.8 9.7 61.1 -30.9 76 77 A E - 0 0 71 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.166 64.7-101.7 -54.2 148.9 6.2 61.9 -29.5 77 78 A P B -K 71 0D 61 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.516 17.9-136.0 -85.9 142.4 6.2 62.7 -25.8 78 79 A F + 0 0 7 -8,-2.7 -8,-0.3 -2,-0.2 2,-0.3 -0.856 44.6 148.2 -90.6 117.6 5.2 60.5 -22.9 79 80 A D >> - 0 0 36 -2,-0.7 4,-2.3 -13,-0.0 3,-0.6 -0.855 62.7 -85.7-140.8 175.3 3.1 62.5 -20.5 80 81 A A H 3> S+ 0 0 0 34,-2.9 4,-3.2 -2,-0.3 5,-0.2 0.840 125.0 54.7 -53.8 -38.9 0.2 62.0 -18.0 81 82 A E H 3> S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.870 108.2 49.6 -66.8 -36.1 -2.4 62.5 -20.8 82 83 A A H <> S+ 0 0 4 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.950 113.1 46.7 -62.5 -51.4 -0.8 59.7 -22.8 83 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.942 110.8 52.1 -53.6 -51.9 -0.8 57.5 -19.7 84 85 A A H X S+ 0 0 8 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.858 107.2 53.2 -57.5 -37.7 -4.4 58.4 -19.0 85 86 A E H X S+ 0 0 47 -4,-1.9 4,-2.7 2,-0.2 -1,-0.3 0.882 107.7 51.4 -66.6 -38.5 -5.4 57.5 -22.6 86 87 A N H X S+ 0 0 2 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.959 110.1 47.1 -61.4 -54.8 -3.8 54.1 -22.2 87 88 A F H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.916 113.6 50.4 -51.5 -45.3 -5.7 53.2 -19.0 88 89 A R H X S+ 0 0 76 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.934 109.5 49.4 -60.4 -46.0 -8.8 54.5 -20.7 89 90 A A H < S+ 0 0 0 -4,-2.7 62,-0.4 1,-0.2 63,-0.3 0.824 113.2 49.0 -64.8 -31.3 -8.2 52.3 -23.8 90 91 A V H >< S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.967 109.3 49.4 -67.1 -56.4 -7.6 49.3 -21.5 91 92 A L H >< S+ 0 0 25 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.638 95.0 72.5 -64.9 -16.7 -10.7 49.8 -19.3 92 93 A D T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.729 108.3 37.1 -64.3 -22.4 -12.9 50.1 -22.5 93 94 A N T X> S+ 0 0 35 -3,-2.3 3,-2.4 -4,-0.2 4,-0.6 -0.086 82.0 140.6-114.7 30.4 -12.2 46.3 -22.7 94 95 A R G X4 + 0 0 87 -3,-1.5 3,-0.8 1,-0.3 4,-0.2 0.734 62.2 62.9 -48.9 -33.9 -12.4 45.8 -18.9 95 96 A Q G >4 S+ 0 0 158 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.783 99.7 55.5 -66.7 -25.0 -14.2 42.5 -19.1 96 97 A R G <4 S+ 0 0 71 -3,-2.4 3,-0.3 1,-0.2 -1,-0.3 0.715 110.1 45.0 -78.2 -22.7 -11.2 41.0 -20.9 97 98 A H G X< S+ 0 0 0 -3,-0.8 3,-2.1 -4,-0.6 6,-0.4 0.249 77.8 111.4-103.5 10.8 -8.9 42.0 -18.0 98 99 A A T < + 0 0 5 -3,-0.7 -1,-0.2 1,-0.3 6,-0.1 0.677 63.8 72.2 -66.5 -18.8 -11.2 40.8 -15.3 99 100 A W T 3 S+ 0 0 5 -3,-0.3 2,-0.6 -4,-0.1 -1,-0.3 0.800 92.4 63.4 -60.8 -31.6 -8.8 38.0 -14.4 100 101 A L S X> S- 0 0 0 -3,-2.1 3,-1.2 1,-0.1 4,-0.5 -0.874 81.3-148.0-100.4 123.0 -6.5 40.7 -12.9 101 102 A E H >> S+ 0 0 21 -2,-0.6 3,-1.5 1,-0.3 4,-0.8 0.829 91.8 68.2 -65.3 -33.7 -8.2 42.4 -10.0 102 103 A L H >> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.7 0.838 95.2 59.5 -50.7 -35.4 -6.6 45.8 -10.6 103 104 A A H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 -6,-0.4 -2,-0.2 0.792 108.1 43.6 -64.4 -31.2 -8.7 46.0 -13.7 104 105 A N H << S+ 0 0 44 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.513 113.6 54.9 -88.1 -6.7 -11.9 45.7 -11.6 105 106 A Q H << S+ 0 0 16 -4,-0.8 17,-2.3 -3,-0.7 2,-0.6 0.694 77.3 99.3 -98.9 -27.7 -10.5 48.2 -9.0 106 107 A I E < +J 121 0C 2 -4,-1.6 15,-0.3 15,-0.2 3,-0.1 -0.555 38.1 170.0 -72.3 115.0 -9.7 51.3 -11.2 107 108 A V E - 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0 0 59 -18,-2.3 3,-0.2 1,-0.1 -1,-0.1 -0.419 23.7-151.6 -69.8 156.8 28.5 59.1 3.1 567 69 B D S S+ 0 0 125 1,-0.1 -1,-0.1 -2,-0.1 10,-0.1 0.559 85.2 63.9-108.5 -12.3 28.9 62.1 5.4 568 70 B D S S+ 0 0 75 8,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.077 74.7 116.1-100.9 22.8 25.9 61.5 7.7 569 71 B V + 0 0 1 8,-0.4 8,-3.2 -3,-0.2 2,-0.4 -0.837 36.9 177.9-107.0 118.5 27.0 58.2 9.2 570 72 B K B -D 576 0K 92 -2,-0.6 113,-0.3 111,-0.4 5,-0.1 -0.880 31.0-117.7-111.4 142.8 27.8 57.8 12.9 571 73 B F > - 0 0 2 4,-3.0 3,-1.8 -2,-0.4 89,-0.2 -0.258 43.3 -98.5 -61.7 166.6 28.8 54.7 14.7 572 74 B S T 3 S+ 0 0 25 87,-2.3 -1,-0.1 1,-0.3 88,-0.1 0.760 124.3 59.0 -63.9 -23.0 26.3 53.6 17.4 573 75 B N T 3 S- 0 0 64 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.284 120.9-103.7 -89.0 8.3 28.5 55.3 20.0 574 76 B G S < S+ 0 0 50 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.0 -0.085 81.0 127.3 98.2 -36.2 28.3 58.8 18.4 575 77 B E - 0 0 70 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.184 63.5-107.7 -53.2 148.1 31.8 58.7 16.8 576 78 B P B -D 570 0K 62 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.518 15.1-131.3 -90.6 151.0 31.7 59.5 13.1 577 79 B F + 0 0 6 -8,-3.2 -8,-0.4 -2,-0.2 2,-0.3 -0.884 45.3 145.4 -96.6 124.2 32.3 57.2 10.1 578 80 B D > - 0 0 36 -2,-0.6 4,-2.6 34,-0.0 3,-0.4 -0.893 64.2 -82.9-148.5 172.1 34.7 58.6 7.6 579 81 B A H > S+ 0 0 0 34,-3.0 4,-3.5 -2,-0.3 5,-0.2 0.819 125.9 54.0 -51.7 -38.0 37.4 57.6 5.2 580 82 B E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.0 47.9 -65.9 -44.0 40.0 57.5 8.0 581 83 B A H > S+ 0 0 4 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.963 115.2 46.8 -54.9 -53.8 37.8 55.1 10.0 582 84 B A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 111.1 50.7 -51.8 -52.6 37.4 53.0 6.9 583 85 B A H X S+ 0 0 7 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.878 108.2 52.9 -59.3 -40.8 41.1 53.1 6.0 584 86 B E H X S+ 0 0 52 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.886 105.4 54.5 -62.7 -40.6 42.0 52.0 9.6 585 87 B N H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.955 107.9 49.2 -60.3 -49.4 39.6 49.0 9.3 586 88 B F H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.878 111.8 49.8 -54.1 -41.5 41.3 47.8 6.1 587 89 B R H X S+ 0 0 76 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.958 109.3 50.5 -62.9 -50.0 44.7 48.1 7.8 588 90 B A H < S+ 0 0 0 -4,-2.9 62,-0.4 2,-0.2 63,-0.3 0.885 115.5 44.3 -55.8 -43.6 43.5 46.2 10.9 589 91 B V H >< S+ 0 0 2 -4,-2.6 3,-2.8 1,-0.2 -2,-0.2 0.984 113.8 46.2 -59.9 -64.8 42.2 43.4 8.6 590 92 B L H >< S+ 0 0 24 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.638 97.5 73.4 -62.2 -16.3 45.2 43.2 6.2 591 93 B D T 3< S+ 0 0 70 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.738 108.9 34.7 -61.6 -23.8 47.5 43.2 9.3 592 94 B N T X S+ 0 0 39 -3,-2.8 3,-2.1 -4,-0.3 4,-0.5 -0.055 84.3 146.0-116.8 27.9 46.2 39.6 9.6 593 95 B R G X + 0 0 86 -3,-1.5 3,-1.4 1,-0.3 4,-0.2 0.706 61.3 62.0 -40.4 -39.9 46.0 39.1 5.8 594 96 B Q G > S+ 0 0 150 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.879 96.7 59.2 -61.2 -36.5 46.9 35.4 5.9 595 97 B R G < S+ 0 0 76 -3,-2.1 -1,-0.3 1,-0.3 3,-0.3 0.714 109.5 45.2 -61.9 -20.1 43.7 34.6 7.9 596 98 B H G X S+ 0 0 1 -3,-1.4 3,-2.1 -4,-0.5 6,-0.4 0.272 77.6 110.3-107.5 8.6 41.7 36.1 5.1 597 99 B A T < + 0 0 6 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.632 63.3 73.2 -66.3 -18.0 43.6 34.4 2.3 598 100 B W T 3 S+ 0 0 6 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.808 92.7 64.4 -58.1 -32.4 40.5 32.1 1.5 599 101 B L S X> S- 0 0 0 -3,-2.1 3,-1.5 1,-0.1 4,-0.6 -0.860 81.1-148.6-101.4 114.5 39.0 35.3 0.1 600 102 B E H >> S+ 0 0 21 -2,-0.6 3,-0.9 1,-0.3 4,-0.6 0.753 91.5 67.1 -61.9 -25.4 41.0 36.5 -3.0 601 103 B L H >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.874 94.5 59.3 -58.0 -39.7 40.2 40.2 -2.4 602 104 B A H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -6,-0.4 -2,-0.2 0.779 107.8 45.5 -57.3 -32.0 42.3 40.1 0.8 603 105 B N H << S+ 0 0 42 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.513 112.2 54.3 -87.8 -10.0 45.3 39.0 -1.4 604 106 B Q H << S+ 0 0 15 -3,-1.1 17,-2.5 -4,-0.6 2,-0.4 0.750 78.6 97.7 -97.1 -31.8 44.5 41.7 -4.0 605 107 B I E < +C 620 0J 3 -4,-1.8 15,-0.3 15,-0.2 3,-0.1 -0.481 39.9 172.1 -69.5 122.1 44.5 44.9 -1.9 606 108 B V E - 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C 0 605J 4 -61,-2.8 -15,-0.2 -2,-0.5 -16,-0.1 -0.740 30.3-123.4-109.3 153.8 44.5 46.4 -6.1 621 123 B K S S- 0 0 128 -17,-2.5 2,-0.3 -2,-0.3 -16,-0.1 0.769 95.9 -1.9 -57.1 -29.4 47.2 44.2 -7.6 622 124 B S S S- 0 0 42 -18,-0.2 2,-2.0 -63,-0.1 -1,-0.1 -0.942 94.1 -74.8-154.4 169.4 45.0 43.8 -10.7 623 125 B A - 0 0 36 -2,-0.3 2,-0.8 -66,-0.1 -64,-0.2 -0.547 58.6-165.9 -74.5 84.0 41.6 44.7 -12.2 624 126 B Y > - 0 0 9 -2,-2.0 3,-1.6 -66,-0.3 314,-0.1 -0.633 12.0-160.9 -84.4 107.1 39.9 42.2 -9.9 625 127 B Y T 3 S+ 0 0 75 -2,-0.8 3,-0.4 312,-0.3 4,-0.3 0.814 86.2 54.6 -61.6 -36.9 36.3 41.6 -11.2 626 128 B P T 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.455 78.9 115.1 -77.5 7.2 34.7 40.1 -8.0 627 129 B F H <> S+ 0 0 2 -3,-1.6 4,-1.2 1,-0.2 5,-0.1 0.830 74.4 38.6 -40.3 -65.4 35.9 43.3 -6.1 628 130 B L H > S+ 0 0 30 -3,-0.4 4,-1.3 1,-0.2 3,-0.2 0.880 115.4 53.9 -60.5 -40.8 32.6 44.9 -5.1 629 131 B Q H >4 S+ 0 0 52 -4,-0.3 3,-0.7 1,-0.2 4,-0.5 0.930 107.9 48.6 -59.2 -48.0 30.9 41.6 -4.3 630 132 B E H 3< S+ 0 0 1 -4,-2.4 7,-0.3 1,-0.3 3,-0.3 0.717 107.9 56.2 -71.3 -19.7 33.6 40.5 -2.0 631 133 B L H 3< S+ 0 0 1 -4,-1.2 -96,-0.3 -5,-0.3 -1,-0.3 0.777 101.7 58.5 -73.3 -29.3 33.4 43.9 -0.3 632 134 B A S << S+ 0 0 1 -4,-1.3 -94,-0.3 -3,-0.7 -2,-0.2 0.604 82.8 113.8 -76.5 -11.6 29.6 43.3 0.3 633 135 B L S S- 0 0 4 -4,-0.5 -3,-0.0 -3,-0.3 4,-0.0 -0.116 80.9-113.6 -62.6 156.4 30.3 40.1 2.3 634 136 B P S S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -102,-0.1 0.803 88.2 64.0 -56.1 -32.0 29.4 39.9 6.0 635 137 B R S S- 0 0 0 2,-0.1 -117,-0.1 867,-0.1 -2,-0.0 -0.975 95.6 -3.8-162.4 149.9 33.2 39.7 6.9 636 138 B P S S+ 0 0 0 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.997 111.0 62.1 -95.5 -3.0 36.0 40.7 7.0 637 139 B F S S+ 0 0 5 -7,-0.3 -102,-0.4 2,-0.1 2,-0.3 -0.216 78.3 109.7 -87.6 53.3 35.6 44.0 5.1 638 140 B R - 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0 0 48 -3,-0.5 -3,-2.3 4,-0.1 -1,-0.2 -0.856 52.1-167.1-134.2 169.4 44.7 46.3 16.0 650 152 B T S > S+ 0 0 1 -62,-0.4 3,-2.2 -2,-0.3 -132,-0.1 0.480 78.8 81.8-124.3 -22.8 41.6 44.0 15.8 651 153 B M T 3 S+ 0 0 58 -63,-0.3 3,-0.1 1,-0.3 -62,-0.0 0.605 96.1 45.3 -61.8 -13.2 43.3 40.7 15.2 652 154 B N T 3 S- 0 0 125 1,-0.6 -1,-0.3 -6,-0.2 2,-0.2 0.165 129.8 -69.0-115.2 16.0 44.0 40.3 18.9 653 155 B G < - 0 0 21 -3,-2.2 -7,-0.6 -7,-0.0 -1,-0.6 -0.436 46.1-118.7 117.9 165.0 40.6 41.2 20.1 654 156 B I B -E 645 0L 19 1,-0.2 -9,-0.2 -2,-0.2 -4,-0.1 -0.787 12.4-129.5-129.7 175.6 38.4 44.3 20.3 655 157 B K S S- 0 0 136 -11,-2.3 -1,-0.2 1,-0.3 -11,-0.1 0.838 83.7 -3.5 -90.0 -86.8 36.9 46.4 23.1 656 158 B A S S- 0 0 35 -15,-0.1 2,-3.0 -11,-0.1 -1,-0.3 -0.919 72.9-116.7-113.2 136.6 33.2 46.9 22.3 657 159 B P + 0 0 25 0, 0.0 2,-0.6 0, 0.0 8,-0.4 -0.322 48.8 169.5 -70.4 68.3 31.5 45.8 19.1 658 160 B I + 0 0 23 -2,-3.0 -17,-2.2 -17,-0.2 2,-0.2 -0.741 5.3 154.0 -90.0 117.2 30.6 49.3 17.9 659 161 B G - 0 0 1 -2,-0.6 -87,-2.3 -19,-0.2 -127,-0.2 -0.568 53.0-113.1-124.7-171.3 29.4 49.4 14.3 660 162 B T S S+ 0 0 0 -21,-0.4 23,-0.5 -89,-0.2 -128,-0.2 0.412 74.9 118.4-102.9 -2.9 27.2 51.6 12.1 661 163 B G S S- 0 0 2 -130,-3.0 -130,-0.1 2,-0.1 -2,-0.1 -0.004 79.3-105.3 -67.8 170.7 24.5 48.9 11.6 662 164 B P S S+ 0 0 10 0, 0.0 17,-2.1 0, 0.0 2,-0.4 0.482 99.9 63.8 -74.5 -3.7 20.8 49.0 12.6 663 165 B W E -V 678 0H 5 -133,-1.6 2,-0.4 15,-0.2 15,-0.2 -0.948 63.6-160.1-125.9 145.5 21.3 46.7 15.6 664 166 B I E -V 677 0H 39 13,-2.4 13,-2.1 -2,-0.4 2,-0.9 -0.985 24.5-123.7-125.5 131.7 23.4 47.0 18.8 665 167 B L E +V 676 0H 31 -2,-0.4 11,-0.2 -8,-0.4 3,-0.1 -0.612 36.3 170.3 -71.8 105.5 24.7 44.2 21.0 666 168 B Q E - 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