==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-MAR-08 2VR1 . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MOCHALKIN,G.L.WALDROP . 874 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 61 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 5 1 1 5 4 1 6 0 1 3 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 1 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 . 6 4 2 5 3 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 2 2 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 1 A M 0 0 103 0, 0.0 312,-0.1 0, 0.0 311,-0.0 0.000 360.0 360.0 360.0 142.7 44.3 -27.8 26.1 2 2 A L - 0 0 16 310,-0.2 3,-0.1 1,-0.1 25,-0.1 -0.201 360.0-154.2 -61.7 140.1 43.1 -26.3 22.7 3 3 A D - 0 0 76 1,-0.3 24,-2.6 23,-0.2 2,-0.3 0.880 68.1 -4.6 -85.4 -41.4 45.6 -24.1 21.0 4 4 A K E -a 27 0A 30 22,-0.2 72,-2.9 70,-0.1 73,-0.7 -0.959 62.8-167.7-162.3 129.9 43.4 -21.8 18.9 5 5 A I E -ab 28 77A 0 22,-2.3 24,-1.8 -2,-0.3 2,-0.6 -0.911 22.5-124.8-127.7 156.0 39.7 -21.5 18.1 6 6 A V E -ab 29 78A 0 71,-2.4 73,-2.6 -2,-0.3 2,-1.1 -0.880 18.7-145.7 -94.3 121.9 37.4 -19.7 15.7 7 7 A I E -ab 30 79A 0 22,-2.7 2,-1.4 -2,-0.6 24,-1.0 -0.800 15.9-166.9 -86.8 100.6 34.7 -17.7 17.4 8 8 A A + 0 0 7 71,-2.5 77,-0.3 -2,-1.1 2,-0.3 -0.538 58.2 53.4 -95.7 67.1 32.0 -18.3 14.8 9 9 A N - 0 0 4 -2,-1.4 2,-0.2 22,-0.4 22,-0.1 -0.932 68.4-129.9-175.3-172.5 29.6 -15.6 16.1 10 10 A R >> + 0 0 25 -2,-0.3 4,-1.1 22,-0.1 3,-0.7 -0.799 53.1 23.4-145.9 179.2 29.4 -11.9 17.0 11 11 A G H 3> S- 0 0 2 -2,-0.2 4,-1.7 1,-0.2 30,-0.2 -0.194 114.9 -7.2 59.8-137.7 28.4 -9.2 19.5 12 12 A E H 3> S+ 0 0 4 371,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.890 135.1 49.3 -64.2 -43.2 28.1 -10.0 23.2 13 13 A I H <> S+ 0 0 0 -3,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.837 107.5 54.7 -71.3 -33.1 28.6 -13.8 23.0 14 14 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.927 111.8 44.8 -63.0 -43.6 31.7 -13.5 20.8 15 15 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.9 53.9 -63.6 -44.0 33.2 -11.2 23.5 16 16 A R H X S+ 0 0 3 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.926 112.6 42.3 -54.0 -50.3 32.0 -13.7 26.2 17 17 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.829 109.6 59.1 -68.5 -32.6 33.7 -16.6 24.4 18 18 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.898 103.7 50.7 -64.3 -40.7 36.8 -14.5 23.8 19 19 A R H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.845 107.5 53.3 -66.7 -36.3 37.3 -13.8 27.5 20 20 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 6,-0.2 0.933 110.6 47.5 -61.7 -44.9 37.1 -17.5 28.3 21 21 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-0.5 0.950 111.2 50.1 -61.9 -50.8 39.8 -18.3 25.7 22 22 A K H ><5S+ 0 0 41 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.915 108.1 53.9 -55.2 -44.4 42.1 -15.6 27.0 23 23 A E H 3<5S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 113.5 42.1 -58.2 -35.6 41.7 -16.9 30.5 24 24 A L T <<5S- 0 0 33 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.320 116.1-110.4 -95.0 6.0 42.7 -20.4 29.4 25 25 A G T < 5 + 0 0 63 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.624 67.3 150.1 72.8 13.8 45.6 -19.2 27.1 26 26 A I < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.618 48.2-121.6 -78.0 135.4 43.6 -20.3 24.0 27 27 A K E -a 4 0A 94 -24,-2.6 -22,-2.3 -2,-0.3 2,-0.4 -0.573 28.0-134.3 -79.0 142.0 44.4 -18.2 20.9 28 28 A T E -a 5 0A 0 -2,-0.2 19,-2.3 -24,-0.2 2,-0.5 -0.778 17.6-168.2-107.5 138.1 41.4 -16.4 19.4 29 29 A V E -ac 6 47A 0 -24,-1.8 -22,-2.7 -2,-0.4 2,-0.9 -0.944 11.9-159.2-120.9 109.6 40.3 -16.1 15.7 30 30 A A E -ac 7 48A 0 17,-2.9 19,-2.3 -2,-0.5 2,-0.4 -0.784 5.3-168.9 -91.3 106.2 37.6 -13.6 15.2 31 31 A V E + c 0 49A 0 -24,-1.0 -22,-0.4 -2,-0.9 2,-0.3 -0.795 22.0 163.5 -87.8 134.9 35.7 -14.2 12.0 32 32 A H E - c 0 50A 5 17,-1.8 19,-2.0 -2,-0.4 20,-0.6 -0.981 37.5-106.0-150.9 159.5 33.4 -11.2 11.1 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-2.2 17,-0.2 21,-0.1 -0.419 42.9-103.1 -80.2 164.3 31.4 -9.6 8.4 34 34 A S G > S+ 0 0 51 18,-1.9 3,-0.7 1,-0.3 -1,-0.1 0.775 124.3 57.0 -57.2 -27.3 32.6 -6.4 6.7 35 35 A A G 3 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.504 102.8 55.0 -80.7 -5.4 30.0 -4.5 8.9 36 36 A D G X + 0 0 2 -3,-2.2 3,-1.6 1,-0.1 -1,-0.2 0.069 63.6 120.0-119.1 23.5 31.6 -5.9 12.1 37 37 A R T < S+ 0 0 140 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.748 80.6 46.3 -57.3 -27.5 35.2 -4.7 11.7 38 38 A D T 3 S+ 0 0 101 -3,-0.2 -1,-0.3 337,-0.1 2,-0.1 0.045 76.7 135.8-110.7 23.2 34.9 -2.6 14.9 39 39 A L <> - 0 0 0 -3,-1.6 4,-2.2 1,-0.1 3,-0.2 -0.478 63.7-120.9 -63.9 142.7 33.3 -5.1 17.3 40 40 A K H > S+ 0 0 17 329,-0.3 4,-1.0 1,-0.2 5,-0.1 0.907 112.9 47.7 -54.5 -45.7 34.9 -5.1 20.7 41 41 A H H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.832 109.8 53.5 -69.3 -32.1 35.8 -8.8 20.5 42 42 A V H 4 S+ 0 0 8 -3,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.908 108.0 50.2 -63.6 -42.1 37.3 -8.4 17.0 43 43 A L H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.672 115.5 43.3 -73.2 -17.1 39.5 -5.5 18.1 44 44 A L H < S+ 0 0 30 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.603 91.3 109.2 -97.7 -16.5 40.8 -7.7 21.0 45 45 A A < - 0 0 16 -4,-1.0 3,-0.1 -3,-0.4 -16,-0.1 -0.122 69.7-130.7 -69.5 158.4 41.3 -10.9 19.2 46 46 A D S S+ 0 0 91 1,-0.3 2,-0.3 -18,-0.2 -17,-0.2 0.947 94.0 14.0 -69.8 -51.3 44.7 -12.5 18.3 47 47 A E E -c 29 0A 76 -19,-2.3 -17,-2.9 2,-0.0 2,-0.4 -0.971 69.3-163.1-127.2 144.6 43.8 -13.0 14.6 48 48 A T E -c 30 0A 72 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.988 4.2-173.8-128.7 137.5 40.8 -11.6 12.6 49 49 A V E -c 31 0A 38 -19,-2.3 -17,-1.8 -2,-0.4 2,-0.7 -0.998 19.5-140.1-132.1 132.6 39.5 -12.9 9.3 50 50 A C E -c 32 0A 52 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.849 18.8-176.2 -97.8 117.6 36.8 -11.1 7.3 51 51 A I E - 0 0 18 -19,-2.0 -18,-0.2 -2,-0.7 -1,-0.1 0.439 51.2 -51.5-102.3 -0.9 34.5 -13.8 5.9 52 52 A G E S-c 33 0A 18 -20,-0.6 -18,-1.9 13,-0.1 -1,-0.2 -0.880 71.9 -40.4 152.7 179.1 32.1 -11.7 3.7 53 53 A P - 0 0 64 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 0.025 69.3 -80.9 -68.6 176.6 29.6 -8.8 3.5 54 54 A A S S+ 0 0 12 -21,-0.1 -21,-0.1 5,-0.1 5,-0.1 0.833 98.3 89.7 -48.1 -51.2 27.1 -7.6 6.0 55 55 A P S >> S- 0 0 66 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.238 78.2-128.9 -64.1 139.0 24.3 -10.1 5.5 56 56 A S G >4>S+ 0 0 26 323,-0.4 5,-2.5 1,-0.3 3,-1.5 0.825 101.7 66.4 -52.6 -40.5 24.4 -13.2 7.5 57 57 A V G 345S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.2 -3,-0.1 0.804 111.4 35.1 -56.1 -32.7 24.0 -15.6 4.6 58 58 A K G <45S+ 0 0 122 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.380 134.5 24.0-101.3 0.3 27.3 -14.6 3.1 59 59 A S T X<5S+ 0 0 0 -3,-1.5 3,-1.3 -4,-0.6 7,-0.2 0.465 128.0 20.0-123.8 -87.6 29.0 -14.1 6.6 60 60 A Y T 3 5S+ 0 0 2 1,-0.3 25,-0.4 5,-0.1 -3,-0.2 0.588 132.5 40.4 -76.4 -9.6 27.9 -15.9 9.8 61 61 A L T 3 - 0 0 26 -3,-1.3 4,-2.1 -6,-0.5 5,-0.2 -0.559 45.0-175.9 -75.9 93.0 28.7 -19.0 5.3 63 63 A I H > S+ 0 0 23 -2,-1.5 4,-2.1 1,-0.2 5,-0.2 0.937 79.4 48.3 -59.9 -52.2 29.9 -22.5 6.1 64 64 A P H > S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 111.8 51.7 -54.0 -38.5 32.7 -22.7 3.6 65 65 A A H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.900 110.0 47.2 -68.5 -40.3 33.9 -19.2 4.7 66 66 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.862 112.8 49.2 -68.6 -35.5 34.1 -20.2 8.4 67 67 A I H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.879 108.9 52.9 -73.1 -38.8 35.9 -23.5 7.6 68 68 A S H X S+ 0 0 70 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.913 105.8 54.1 -56.9 -47.9 38.5 -21.7 5.4 69 69 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 6,-0.3 0.932 109.3 48.1 -53.9 -49.3 39.2 -19.3 8.2 70 70 A A H X>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 4,-0.8 0.947 114.4 46.8 -53.1 -53.6 39.9 -22.2 10.5 71 71 A E H <5S+ 0 0 119 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.887 114.8 44.6 -57.3 -45.5 42.1 -23.8 7.8 72 72 A I H <5S+ 0 0 142 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.6 46.1 -76.9 -29.1 44.1 -20.6 7.0 73 73 A T H <5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.532 108.2-120.1 -86.5 -7.9 44.7 -19.6 10.7 74 74 A G T <5 + 0 0 47 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.773 54.5 164.7 69.5 27.8 45.7 -23.1 11.8 75 75 A A < - 0 0 5 -5,-1.9 -70,-0.2 -6,-0.3 -1,-0.2 -0.355 31.7-155.9 -72.3 157.0 42.8 -23.2 14.3 76 76 A V + 0 0 50 -72,-2.9 25,-2.3 1,-0.2 2,-0.3 0.499 67.7 18.1-111.4 -7.3 41.8 -26.5 15.8 77 77 A A E -bd 5 101A 0 -73,-0.7 -71,-2.4 23,-0.3 2,-0.4 -0.974 60.2-134.3-162.7 162.7 38.2 -25.9 16.8 78 78 A I E -bd 6 102A 0 23,-2.9 25,-2.3 -2,-0.3 -71,-0.2 -0.990 6.4-156.9-135.4 121.5 35.1 -23.7 16.2 79 79 A H E -b 7 0A 1 -73,-2.6 -71,-2.5 -2,-0.4 25,-0.1 -0.904 7.9-169.9 -97.4 114.4 32.9 -22.3 18.9 80 80 A P - 0 0 7 0, 0.0 6,-0.3 0, 0.0 5,-0.2 0.441 15.4-160.8 -85.2 -3.5 29.5 -21.5 17.3 81 81 A G - 0 0 1 22,-0.2 211,-0.4 4,-0.1 2,-0.3 -0.320 44.1 -43.3 63.1-141.3 27.9 -19.5 20.1 82 82 A Y S S+ 0 0 34 209,-0.1 3,-0.2 211,-0.0 211,-0.1 -0.800 108.4 13.4-118.8 167.0 24.0 -19.3 20.0 83 83 A G S > S+ 0 0 39 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 -0.279 101.8 57.6 61.6-154.5 21.9 -18.5 17.0 84 84 A F T 3 S- 0 0 68 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 -0.007 126.6 -15.4 32.9-119.7 23.4 -18.8 13.5 85 85 A L T > S+ 0 0 10 -25,-0.4 3,-1.7 -77,-0.3 -1,-0.3 0.284 103.6 106.5 -96.0 11.2 24.9 -22.2 12.9 86 86 A S T < S+ 0 0 2 -3,-2.5 -1,-0.2 -6,-0.3 -2,-0.1 0.830 89.1 34.5 -69.0 -33.6 25.0 -23.4 16.5 87 87 A E T 3 S+ 0 0 64 -3,-0.4 2,-0.9 -4,-0.3 -1,-0.3 0.080 90.2 119.1 -99.7 19.6 22.0 -25.9 16.0 88 88 A N <> - 0 0 62 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 -0.773 43.7-170.5 -92.5 106.5 23.0 -26.8 12.4 89 89 A A H > S+ 0 0 12 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.908 86.0 54.4 -61.8 -45.5 23.7 -30.5 12.2 90 90 A N H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 110.3 47.8 -54.7 -39.4 25.1 -30.3 8.7 91 91 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.947 110.8 48.5 -69.5 -51.1 27.6 -27.6 9.8 92 92 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 -7,-0.2 -2,-0.2 0.872 112.8 50.9 -52.5 -42.1 28.8 -29.4 12.9 93 93 A E H X S+ 0 0 69 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.882 109.3 48.5 -65.9 -42.7 29.3 -32.5 10.7 94 94 A Q H X S+ 0 0 68 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.820 108.9 54.5 -67.5 -34.8 31.3 -30.6 8.1 95 95 A V H X>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 4,-0.6 0.932 113.8 41.8 -60.4 -48.2 33.4 -29.2 10.9 96 96 A E H ><5S+ 0 0 60 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.904 112.9 52.5 -64.9 -43.6 34.1 -32.7 12.1 97 97 A R H 3<5S+ 0 0 166 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 109.2 51.1 -64.6 -31.5 34.6 -34.1 8.5 98 98 A S H 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.623 123.6-107.5 -80.3 -16.0 37.1 -31.4 7.9 99 99 A G T <<5S+ 0 0 61 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.643 76.5 122.1 101.1 19.5 39.0 -32.3 11.1 100 100 A F < - 0 0 21 -5,-2.6 2,-0.6 -6,-0.1 -1,-0.3 -0.738 64.7-107.2-105.7 158.9 38.2 -29.5 13.5 101 101 A I E -d 77 0A 53 -25,-2.3 -23,-2.9 -2,-0.3 2,-0.7 -0.773 22.4-145.8 -88.5 125.6 36.5 -29.7 16.9 102 102 A F E -d 78 0A 2 -2,-0.6 2,-1.6 -25,-0.2 -23,-0.2 -0.824 15.5-136.5 -84.4 114.7 32.9 -28.5 17.0 103 103 A I S S+ 0 0 3 -25,-2.3 -22,-0.2 -2,-0.7 209,-0.1 -0.593 80.0 53.9 -75.1 93.6 32.5 -27.0 20.5 104 104 A G S S- 0 0 13 -2,-1.6 -2,-0.1 207,-0.1 187,-0.1 -0.945 98.5 -47.5 160.4-179.7 29.2 -28.6 21.0 105 105 A P S S- 0 0 2 0, 0.0 163,-0.1 0, 0.0 2,-0.1 -0.111 72.1 -72.1 -73.9 175.9 27.5 -32.1 20.9 106 106 A K >> - 0 0 102 161,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.408 43.8-118.6 -63.4 146.1 27.9 -34.7 18.2 107 107 A A H 3> S+ 0 0 10 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.917 115.7 57.5 -54.2 -48.1 26.0 -33.8 14.9 108 108 A E H 3> S+ 0 0 156 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.867 107.6 47.6 -47.6 -42.5 23.8 -36.9 15.3 109 109 A T H <> S+ 0 0 10 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.870 110.6 51.1 -71.1 -39.6 22.7 -35.6 18.8 110 110 A I H X S+ 0 0 2 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.892 111.3 48.9 -59.4 -42.4 22.1 -32.1 17.4 111 111 A R H < S+ 0 0 108 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.851 108.9 52.9 -70.1 -35.0 19.9 -33.7 14.6 112 112 A L H < S+ 0 0 56 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.2 0.858 114.8 40.0 -65.2 -40.0 18.0 -35.9 17.1 113 113 A M H < S+ 0 0 6 -4,-1.6 175,-0.5 1,-0.2 -1,-0.2 0.519 104.5 67.4 -93.0 -6.8 17.0 -32.9 19.3 114 114 A G S < S+ 0 0 53 -4,-0.8 2,-0.5 -3,-0.2 49,-0.3 0.463 93.8 65.1 -91.1 -7.1 16.4 -30.5 16.3 115 115 A D S > S- 0 0 37 -3,-0.4 4,-1.7 -4,-0.4 47,-0.2 -0.989 76.7-154.4-110.7 123.0 13.4 -32.6 15.3 116 116 A K H > S+ 0 0 20 45,-2.6 4,-2.7 -2,-0.5 5,-0.2 0.873 87.8 55.8 -71.7 -37.0 10.7 -32.5 18.0 117 117 A V H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.962 114.8 38.5 -58.1 -53.4 9.0 -35.8 17.3 118 118 A S H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.795 115.1 55.2 -69.4 -29.7 12.2 -37.8 17.7 119 119 A A H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.914 109.3 46.3 -66.7 -45.2 13.4 -35.6 20.6 120 120 A I H X S+ 0 0 11 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.896 109.8 53.6 -66.2 -42.2 10.2 -36.2 22.6 121 121 A A H X S+ 0 0 58 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.891 111.0 47.7 -57.6 -39.8 10.3 -40.0 21.9 122 122 A A H X S+ 0 0 20 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.913 113.7 45.2 -69.9 -44.9 13.9 -40.1 23.3 123 123 A M H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.5 0.943 113.3 50.7 -62.0 -47.5 13.1 -38.1 26.4 124 124 A K H ><5S+ 0 0 113 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.903 110.4 50.2 -58.0 -43.8 10.0 -40.1 27.0 125 125 A K H 3<5S+ 0 0 192 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.854 110.2 50.0 -61.2 -37.1 12.1 -43.3 26.7 126 126 A A H 3<5S- 0 0 4 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.420 122.2-103.8 -85.3 0.9 14.7 -41.9 29.2 127 127 A G T <<5S+ 0 0 41 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.653 71.6 143.1 86.3 17.5 12.0 -41.0 31.8 128 128 A V < - 0 0 4 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.785 58.5-110.8 -85.1 129.4 11.8 -37.3 31.3 129 129 A P - 0 0 41 0, 0.0 156,-2.8 0, 0.0 2,-0.2 -0.477 42.1-176.0 -68.2 124.9 8.2 -36.1 31.6 130 130 A C B -e 285 0B 24 -2,-0.3 156,-0.1 154,-0.3 3,-0.0 -0.622 33.5 -89.7-108.8 170.7 6.7 -34.9 28.4 131 131 A V - 0 0 5 154,-0.8 -1,-0.0 -2,-0.2 153,-0.0 -0.616 52.1-101.0 -74.0 136.4 3.4 -33.3 27.4 132 132 A P + 0 0 69 0, 0.0 69,-2.3 0, 0.0 2,-0.2 -0.396 68.3 133.2 -56.7 136.4 0.7 -35.9 26.5 133 133 A G B -M 200 0C 3 67,-0.2 67,-0.2 23,-0.1 -3,-0.0 -0.854 68.8 -59.8-162.4-164.6 0.5 -36.0 22.7 134 134 A S - 0 0 15 65,-2.4 66,-0.1 -2,-0.2 15,-0.0 0.751 54.9-148.5 -68.7 -24.7 0.4 -37.9 19.4 135 135 A D S S+ 0 0 77 64,-0.4 65,-0.1 1,-0.0 -18,-0.0 0.966 74.9 27.1 50.9 57.3 3.7 -39.5 20.2 136 136 A G S S- 0 0 19 63,-0.1 63,-0.4 2,-0.0 -2,-0.1 -0.671 106.9 -55.3 139.1 165.4 4.5 -39.6 16.5 137 137 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 61,-0.2 -0.234 47.3-119.2 -72.1 159.6 3.5 -37.6 13.4 138 138 A L - 0 0 8 59,-1.8 59,-0.4 1,-0.1 2,-0.0 -0.844 25.2-155.6 -95.8 134.1 -0.0 -37.0 12.2 139 139 A G - 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