==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-MAY-10 3MW0 . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.CAVAZZA,C.BOCHOT,P.ROUSSELOT-PAILLEY,P.CARPENTIER,M.V.CHER . 994 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 77 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 6 2 4 2 3 5 0 2 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 5 5 2 3 10 3 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 . 4 3 3 0 1 0 0 0 0 1 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 93 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.3 16.8 16.8 59.2 2 3 A P T 3 + 0 0 115 0, 0.0 188,-0.0 0, 0.0 0, 0.0 0.619 360.0 49.2 -90.9 -13.1 18.9 17.5 56.1 3 4 A D T 3 S+ 0 0 64 495,-0.1 188,-3.3 187,-0.1 189,-1.3 -0.051 99.1 86.1-110.3 26.5 19.7 14.0 54.9 4 5 A E E < -a 192 0A 75 -3,-0.7 2,-0.3 187,-0.2 189,-0.2 -0.998 60.3-169.8-126.4 127.7 15.9 13.1 55.2 5 6 A I E -a 193 0A 2 187,-2.4 189,-2.6 -2,-0.4 2,-0.4 -0.903 12.4-150.6-120.3 152.8 13.5 13.7 52.4 6 7 A T E +a 194 0A 36 -2,-0.3 208,-2.9 187,-0.2 209,-1.0 -0.979 26.2 156.0-119.7 131.3 9.7 13.7 52.1 7 8 A T E -ab 195 215A 4 187,-3.3 189,-2.5 -2,-0.4 2,-0.3 -0.577 28.0-118.4-134.0-164.2 7.9 12.8 48.8 8 9 A A E -a 196 0A 6 207,-0.5 209,-0.3 187,-0.3 189,-0.2 -0.980 16.1-173.5-147.1 158.9 4.5 11.4 47.8 9 10 A W E -a 197 0A 50 187,-1.9 189,-2.0 -2,-0.3 4,-0.0 -0.983 35.0-121.5-149.1 146.7 2.8 8.6 46.0 10 11 A P S S+ 0 0 46 0, 0.0 2,-0.2 0, 0.0 187,-0.1 0.784 96.6 12.3 -64.4 -28.2 -1.0 8.1 45.1 11 12 A V S S- 0 0 73 187,-0.1 187,-0.1 1,-0.1 160,-0.0 -0.814 94.3 -80.3-133.3 174.6 -1.1 4.9 47.2 12 13 A N - 0 0 18 -2,-0.2 -1,-0.1 1,-0.1 163,-0.1 -0.235 45.7-108.4 -66.8 167.3 1.0 3.0 49.8 13 14 A V - 0 0 0 1,-0.2 12,-2.4 182,-0.1 3,-0.4 0.690 53.0-130.4 -75.6 -15.9 3.9 0.8 48.5 14 15 A G - 0 0 19 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.422 45.0 -51.4 91.6-174.9 2.1 -2.5 49.3 15 16 A P S S- 0 0 78 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.662 70.6-126.7 -71.7 -14.5 3.5 -5.5 51.2 16 17 A L + 0 0 0 -3,-0.4 -2,-0.1 1,-0.3 150,-0.1 0.905 42.9 169.3 63.0 47.1 6.6 -5.5 49.0 17 18 A N > - 0 0 4 4,-0.2 3,-0.8 1,-0.1 -1,-0.3 -0.796 30.4-145.0 -77.0 125.0 6.5 -9.1 47.9 18 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.620 90.9 49.7 -73.5 -8.6 9.1 -9.1 45.2 19 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.400 98.8 69.8-113.4 0.0 7.2 -11.7 43.1 20 21 A L < - 0 0 30 -3,-0.8 132,-0.0 1,-0.2 70,-0.0 -0.626 62.3-141.9-118.4 175.0 3.7 -10.3 42.9 21 22 A Y > + 0 0 44 1,-0.4 3,-2.6 -2,-0.2 -1,-0.2 0.325 55.7 49.1-110.7-130.7 2.0 -7.3 41.2 22 23 A T T 3 S+ 0 0 125 1,-0.3 -1,-0.4 -8,-0.1 3,-0.1 -0.275 110.0 26.1 -55.3 136.8 -0.8 -5.0 42.4 23 24 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.949 104.2 91.7 -91.5 13.4 -0.9 -3.5 45.1 24 25 A N S < S- 0 0 5 -3,-2.6 2,-0.5 -10,-0.1 -10,-0.2 -0.464 75.1-133.2 -63.1 135.7 2.9 -3.7 45.2 25 26 A Q >> - 0 0 44 -12,-2.4 4,-2.1 -2,-0.1 3,-0.9 -0.853 6.4-140.5 -97.0 124.0 4.5 -0.6 43.7 26 27 A M H 3> S+ 0 0 37 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.810 98.0 54.1 -51.7 -40.0 7.3 -1.3 41.2 27 28 A F H 3> S+ 0 0 6 1,-0.2 4,-0.6 2,-0.2 464,-0.3 0.866 110.8 46.9 -69.8 -32.5 9.6 1.6 42.3 28 29 A A H <> S+ 0 0 0 -3,-0.9 4,-1.2 2,-0.2 3,-0.4 0.873 108.9 53.7 -77.2 -37.6 9.4 0.5 45.9 29 30 A Q H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 3,-0.5 0.914 108.7 51.9 -57.0 -42.5 10.1 -3.2 45.0 30 31 A S H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.706 103.8 58.1 -70.1 -19.1 13.2 -1.8 43.1 31 32 A M H < S+ 0 0 6 -4,-0.6 133,-1.3 -3,-0.4 -1,-0.2 0.839 118.9 27.7 -75.3 -32.7 14.3 0.0 46.2 32 33 A V H < S+ 0 0 2 -4,-1.2 130,-2.6 -3,-0.5 129,-0.3 0.838 117.2 55.4-100.1 -39.2 14.5 -3.1 48.4 33 34 A Y < - 0 0 1 -4,-2.8 108,-0.1 127,-0.2 127,-0.1 -0.726 63.8-158.0-108.1 152.1 15.2 -5.9 45.9 34 35 A E - 0 0 8 106,-0.3 106,-1.1 -2,-0.3 2,-0.2 -0.831 9.9-128.3-129.4 154.4 18.0 -6.3 43.4 35 36 A P - 0 0 3 0, 0.0 14,-1.5 0, 0.0 15,-0.2 -0.545 25.4-114.5 -99.3 170.7 18.6 -8.3 40.2 36 37 A L S S+ 0 0 1 96,-0.4 14,-2.6 102,-0.4 12,-1.4 0.887 106.8 21.1 -62.7 -41.0 21.4 -10.6 39.0 37 38 A V E S-K 47 0B 0 95,-0.2 2,-0.5 11,-0.2 -1,-0.2 -0.961 81.7-130.7-134.9 146.2 22.2 -8.0 36.3 38 39 A K E -K 46 0B 65 8,-2.2 8,-1.8 -2,-0.3 2,-0.1 -0.865 17.4-125.3-113.0 127.2 21.5 -4.3 36.1 39 40 A Y E -K 45 0B 26 -2,-0.5 2,-0.3 94,-0.3 6,-0.2 -0.365 25.2-161.2 -70.9 140.4 19.9 -2.4 33.1 40 41 A Q > - 0 0 34 4,-2.5 3,-1.8 446,-0.1 445,-0.0 -0.826 31.5-109.7-118.6 161.0 21.8 0.7 31.7 41 42 A A T 3 S+ 0 0 59 -2,-0.3 941,-0.1 1,-0.3 -1,-0.1 0.836 114.7 63.0 -58.4 -34.4 20.6 3.5 29.5 42 43 A D T 3 S- 0 0 38 1,-0.1 -1,-0.3 939,-0.1 940,-0.1 0.501 120.1-106.0 -72.5 -3.8 22.6 2.2 26.5 43 44 A G S < S+ 0 0 28 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.332 86.2 107.9 97.9 -6.0 20.4 -0.9 26.4 44 45 A S - 0 0 34 -5,-0.0 -4,-2.5 85,-0.0 -1,-0.4 -0.373 62.5-127.9 -87.6 174.2 23.0 -3.3 27.9 45 46 A V E -K 39 0B 19 -6,-0.2 -6,-0.2 -2,-0.1 85,-0.1 -0.825 16.3-151.4-110.8 159.1 23.2 -4.9 31.3 46 47 A I E -K 38 0B 57 -8,-1.8 -8,-2.2 -2,-0.3 5,-0.0 -0.879 35.5 -81.8-118.5 162.7 26.1 -4.8 33.7 47 48 A P E +K 37 0B 63 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.335 58.3 152.4 -54.5 142.3 27.1 -7.3 36.4 48 49 A W S S- 0 0 44 -12,-1.4 -11,-0.2 2,-1.4 -12,-0.2 0.101 74.9 -7.3-135.1-103.5 25.2 -6.8 39.7 49 50 A L S S+ 0 0 0 -14,-1.5 18,-2.4 1,-0.1 2,-0.6 0.780 136.1 60.7 -67.6 -27.0 24.5 -9.7 42.2 50 51 A A E S-L 66 0C 0 -14,-2.6 -2,-1.4 16,-0.3 16,-0.3 -0.911 72.5-167.4 -95.8 119.1 26.0 -11.9 39.5 51 52 A K E - 0 0 117 14,-1.9 2,-0.3 -2,-0.6 15,-0.2 0.771 67.5 -8.3 -81.5 -21.4 29.6 -10.8 38.9 52 53 A S E -L 65 0C 53 13,-1.5 13,-3.0 2,-0.0 2,-0.3 -0.969 60.5-167.1-161.4 170.5 30.0 -12.8 35.6 53 54 A W E -L 64 0C 64 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.982 6.5-160.2-162.1 152.5 28.3 -15.4 33.4 54 55 A T E -L 63 0C 95 9,-2.0 9,-2.4 -2,-0.3 2,-0.3 -0.874 11.3-156.2-125.9 163.3 28.9 -17.8 30.5 55 56 A H E -L 62 0C 104 -2,-0.3 7,-0.2 7,-0.2 4,-0.1 -0.953 12.1-126.5-133.8 161.6 26.4 -19.5 28.2 56 57 A S - 0 0 39 5,-2.0 -1,-0.1 -2,-0.3 7,-0.0 -0.017 49.5 -40.5 -83.1-166.2 26.5 -22.6 26.1 57 58 A E S S- 0 0 106 2,-0.1 2,-0.3 3,-0.0 -2,-0.1 0.187 127.0 -4.5 38.9-127.6 25.9 -23.3 22.4 58 59 A D S S- 0 0 124 0, 0.0 2,-1.7 0, 0.0 3,-0.5 -0.293 114.5 -89.2 64.5 80.0 23.8 -22.0 21.2 59 60 A G S S+ 0 0 3 -2,-0.3 66,-0.4 1,-0.2 -2,-0.1 -0.435 84.6 114.4 -79.0 82.4 22.5 -20.4 24.3 60 61 A K S S+ 0 0 83 -2,-1.7 61,-2.6 1,-0.2 2,-0.5 0.694 73.0 59.8-102.6 -26.3 20.1 -22.4 26.2 61 62 A T E - M 0 120C 42 -3,-0.5 -5,-2.0 59,-0.2 2,-0.4 -0.903 62.8-177.3-111.5 121.2 22.3 -23.0 29.3 62 63 A W E -LM 55 119C 30 57,-2.9 57,-3.0 -2,-0.5 2,-0.5 -0.945 8.9-164.4-120.6 140.2 23.6 -20.1 31.4 63 64 A T E -LM 54 118C 22 -9,-2.4 -9,-2.0 -2,-0.4 2,-0.4 -0.984 9.8-159.5-125.2 119.9 25.9 -20.2 34.4 64 65 A F E -LM 53 117C 0 53,-3.4 53,-2.4 -2,-0.5 2,-0.7 -0.837 10.5-147.5-103.9 133.1 26.2 -17.2 36.7 65 66 A T E -LM 52 116C 33 -13,-3.0 -14,-1.9 -2,-0.4 -13,-1.5 -0.892 26.6-151.6 -96.0 114.4 29.1 -16.5 39.0 66 67 A L E -L 50 0C 2 49,-2.9 -16,-0.3 -2,-0.7 -17,-0.1 -0.537 18.7-101.2 -88.8 152.1 27.6 -14.7 42.0 67 68 A R - 0 0 69 -18,-2.4 3,-0.2 -2,-0.2 -1,-0.1 -0.304 24.9-151.2 -57.0 150.2 29.2 -12.2 44.3 68 69 A D S S+ 0 0 135 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.334 81.9 64.0-111.8 10.1 30.3 -13.8 47.7 69 70 A D S S+ 0 0 85 8,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.223 73.0 115.6-115.5 13.1 30.0 -10.7 49.9 70 71 A V - 0 0 4 8,-0.3 8,-2.3 -3,-0.2 2,-0.4 -0.716 37.7-175.8 -99.5 134.1 26.3 -9.9 49.8 71 72 A K B -O 77 0D 126 -2,-0.4 113,-0.2 111,-0.3 5,-0.1 -0.954 28.0-119.1-122.0 143.7 23.9 -10.1 52.7 72 73 A F > - 0 0 3 4,-2.7 3,-2.1 -2,-0.4 89,-0.2 -0.384 46.4 -99.1 -63.0 158.4 20.2 -9.6 53.0 73 74 A S T 3 S+ 0 0 30 87,-2.2 -1,-0.1 1,-0.3 88,-0.1 0.655 122.6 60.7 -64.7 -14.4 19.4 -6.8 55.4 74 75 A N T 3 S- 0 0 63 86,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.193 121.7-101.1 -95.6 11.9 18.7 -9.3 58.2 75 76 A G S < S+ 0 0 37 -3,-2.1 -2,-0.1 1,-0.3 0, 0.0 0.090 80.7 130.8 92.9 -23.7 22.2 -10.7 58.1 76 77 A E - 0 0 73 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.302 61.3-104.0 -64.6 145.4 21.4 -13.9 56.2 77 78 A P B -O 71 0D 80 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.460 16.1-140.1 -75.8 141.5 23.7 -14.7 53.2 78 79 A F + 0 0 6 -8,-2.3 -8,-0.3 -2,-0.2 2,-0.2 -0.909 45.6 141.7 -88.6 122.7 22.8 -14.2 49.6 79 80 A D > - 0 0 36 -2,-0.6 4,-2.1 34,-0.0 36,-0.2 -0.831 66.8 -78.7-147.7-172.5 24.1 -17.2 47.7 80 81 A A H > S+ 0 0 0 34,-2.3 4,-2.9 -2,-0.2 5,-0.2 0.823 127.0 53.1 -67.2 -30.0 23.2 -19.5 44.8 81 82 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 108.4 49.7 -68.7 -48.4 20.8 -21.5 47.0 82 83 A A H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.899 114.8 46.4 -52.3 -42.4 19.0 -18.4 48.0 83 84 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.3 0.944 109.9 50.1 -69.7 -51.4 18.8 -17.4 44.4 84 85 A A H X S+ 0 0 10 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.876 109.0 55.1 -54.9 -38.5 17.6 -20.8 43.1 85 86 A E H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.869 105.7 51.5 -61.5 -42.3 14.9 -20.8 45.8 86 87 A N H X S+ 0 0 2 -4,-1.5 4,-2.2 -3,-0.3 -2,-0.2 0.903 108.3 50.5 -61.9 -42.5 13.6 -17.4 44.6 87 88 A F H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.877 111.0 50.2 -64.8 -36.9 13.3 -18.7 41.0 88 89 A R H X S+ 0 0 71 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.922 108.7 51.8 -62.5 -45.1 11.4 -21.7 42.3 89 90 A A H < S+ 0 0 0 -4,-2.4 62,-0.3 1,-0.2 63,-0.3 0.895 113.8 43.9 -59.8 -41.5 9.1 -19.4 44.2 90 91 A V H >< S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.933 113.7 48.7 -68.1 -48.1 8.3 -17.4 41.1 91 92 A L H >< S+ 0 0 22 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.656 97.3 68.9 -76.8 -10.9 7.9 -20.3 38.8 92 93 A D T 3< S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.659 106.0 44.2 -68.9 -15.7 5.6 -22.0 41.2 93 94 A N T X S+ 0 0 11 -3,-1.8 3,-2.0 -4,-0.2 4,-0.4 -0.059 77.7 140.2-112.5 28.0 3.3 -19.1 40.2 94 95 A R G X + 0 0 89 -3,-1.1 3,-1.7 1,-0.3 -1,-0.1 0.745 59.2 65.4 -47.1 -39.7 4.1 -19.4 36.5 95 96 A Q G > S+ 0 0 183 1,-0.3 3,-1.0 -3,-0.2 -1,-0.3 0.813 97.7 54.9 -55.3 -37.0 0.5 -18.8 35.3 96 97 A R G < S+ 0 0 130 -3,-2.0 -1,-0.3 1,-0.2 3,-0.3 0.579 102.1 56.8 -78.1 -7.2 0.6 -15.2 36.6 97 98 A H G X + 0 0 0 -3,-1.7 3,-2.1 -4,-0.4 6,-0.3 0.086 66.8 122.2-108.8 21.3 3.7 -14.3 34.6 98 99 A A T < + 0 0 41 -3,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.813 66.6 63.0 -55.4 -33.6 2.3 -15.2 31.2 99 100 A W T 3 S+ 0 0 36 -3,-0.3 2,-0.6 1,-0.1 -1,-0.3 0.745 94.7 69.0 -62.5 -24.6 2.9 -11.7 29.9 100 101 A L S X> S- 0 0 1 -3,-2.1 3,-1.3 1,-0.1 4,-0.5 -0.883 71.2-157.3-107.5 114.5 6.7 -12.2 30.4 101 102 A E H >> S+ 0 0 24 -2,-0.6 3,-1.2 1,-0.3 4,-1.0 0.811 86.4 67.6 -68.8 -33.9 8.1 -14.7 28.0 102 103 A L H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.818 95.3 60.8 -49.1 -35.1 11.2 -15.6 30.0 103 104 A A H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -6,-0.3 -2,-0.2 0.801 107.5 41.7 -66.9 -31.8 8.8 -17.2 32.5 104 105 A N H << S+ 0 0 50 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.592 115.6 55.9 -84.2 -11.8 7.6 -19.6 29.9 105 106 A Q H < S+ 0 0 17 -4,-1.0 17,-2.3 -3,-0.2 2,-0.4 0.744 78.3 96.6 -92.5 -31.0 11.2 -20.1 28.8 106 107 A I E < +N 121 0C 2 -4,-1.9 15,-0.3 15,-0.2 3,-0.1 -0.529 42.5 175.1 -68.4 118.8 13.0 -21.1 32.0 107 108 A V E - 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0 0 24 -3,-1.4 3,-1.2 -4,-0.2 6,-0.4 -0.673 69.5-145.2 -82.3 114.9 -1.7 -13.0 25.7 413 414 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.719 92.2 58.7 -56.9 -25.9 -5.5 -13.2 25.3 414 415 A S T 3 S+ 0 0 63 4,-0.1 2,-0.3 -28,-0.1 -28,-0.1 -0.014 88.9 94.4 -98.5 33.5 -6.5 -11.2 28.4 415 416 A H S <> S- 0 0 46 -3,-1.2 4,-1.8 -30,-0.2 3,-0.2 -0.895 81.0-120.2-118.8 153.3 -4.6 -8.1 27.4 416 417 A A H > S+ 0 0 4 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.832 109.7 55.5 -60.7 -36.7 -6.0 -5.0 25.6 417 418 A D H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 106.9 47.9 -68.1 -42.8 -3.6 -5.4 22.6 418 419 A F H > S+ 0 0 35 -6,-0.4 4,-0.7 -9,-0.3 -1,-0.2 0.940 114.7 48.5 -59.3 -46.9 -4.6 -8.9 21.8 419 420 A Q H >< S+ 0 0 36 -4,-1.8 3,-1.1 -35,-0.3 4,-0.3 0.925 110.2 48.6 -61.5 -49.0 -8.2 -7.9 22.0 420 421 A A H 3< S+ 0 0 0 -4,-2.9 -166,-2.5 1,-0.2 3,-0.4 0.862 116.4 45.5 -58.4 -35.5 -7.8 -4.8 19.8 421 422 A Q H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.511 83.3 100.9 -85.3 -7.5 -6.0 -6.9 17.2 422 423 A Q T << S+ 0 0 99 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.1 0.807 76.8 55.7 -52.7 -36.5 -8.5 -9.8 17.4 423 424 A G T 3 S+ 0 0 40 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.470 80.9 110.9 -78.7 -0.7 -10.3 -8.8 14.1 424 425 A L X - 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