==== 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 LYASE 27-JUN-05 2CWX . COMPND 2 MOLECULE: RIBULOSE BISPHOSPHATE CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR E.MIZOHATA,C.MISHIMA,R.AKASAKA,H.UDA,T.TERADA,M.SHIROUZU,S.Y . 821 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 41 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 7 5 0 1 4 2 0 4 3 0 6 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 7 7 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 3 3 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 2 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 8 A V > 0 0 115 0, 0.0 4,-0.7 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -78.9 49.6 49.2 8.4 2 9 A E H > + 0 0 143 2,-0.2 4,-0.9 1,-0.1 0, 0.0 0.654 360.0 66.6 -67.2 -25.7 45.8 49.2 8.7 3 10 A W H >4 S+ 0 0 72 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.935 96.1 49.7 -55.8 -49.0 46.9 45.6 9.2 4 11 A Y H >4 S+ 0 0 43 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.830 105.8 57.2 -62.3 -30.6 48.6 46.6 12.5 5 12 A L H >< S+ 0 0 69 -4,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.731 90.9 71.2 -74.3 -20.4 45.5 48.4 13.6 6 13 A D T << S+ 0 0 69 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.727 93.4 58.2 -61.4 -21.5 43.6 45.1 13.2 7 14 A F T < S+ 0 0 0 -3,-1.1 56,-2.8 -4,-0.4 2,-0.5 0.442 94.6 81.9 -87.4 -1.3 45.5 44.0 16.3 8 15 A V B < +a 63 0A 18 -3,-1.6 56,-0.2 54,-0.2 2,-0.1 -0.927 41.4 146.7-111.6 127.2 44.1 46.9 18.3 9 16 A D > - 0 0 64 54,-2.6 3,-2.0 -2,-0.5 -3,-0.0 -0.604 21.8-170.7-154.9 96.8 40.7 46.9 19.9 10 17 A L T 3 S+ 0 0 69 1,-0.3 54,-0.1 -2,-0.1 56,-0.1 0.417 86.5 56.1 -79.1 4.1 40.3 48.7 23.2 11 18 A N T 3 S+ 0 0 147 54,-0.1 -1,-0.3 2,-0.0 53,-0.1 0.410 78.7 119.7-102.6 -2.6 36.8 47.3 23.9 12 19 A Y < - 0 0 74 -3,-2.0 -3,-0.1 51,-0.2 50,-0.0 -0.393 52.9-152.1 -63.8 134.1 37.9 43.7 23.7 13 20 A E - 0 0 174 -2,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.958 18.0-134.5-107.3 111.0 37.4 41.7 26.9 14 21 A P - 0 0 39 0, 0.0 2,-0.0 0, 0.0 6,-0.0 -0.440 18.3-121.5 -65.3 137.6 40.0 38.9 27.1 15 22 A G > - 0 0 32 -2,-0.1 3,-1.5 1,-0.1 0, 0.0 -0.300 26.0-107.3 -71.7 164.9 38.7 35.5 28.1 16 23 A R T 3 S+ 0 0 249 1,-0.3 102,-0.4 101,-0.0 -1,-0.1 0.535 117.3 62.1 -73.3 -7.8 40.1 33.8 31.2 17 24 A D T 3 S+ 0 0 100 100,-0.1 64,-0.5 101,-0.1 2,-0.3 0.083 85.9 95.9-101.8 20.5 41.9 31.4 29.0 18 25 A E E < S-B 80 0A 19 -3,-1.5 2,-0.4 62,-0.1 102,-0.1 -0.870 72.1-126.7-112.0 146.6 44.1 34.1 27.3 19 26 A L E -B 79 0A 0 60,-2.5 60,-2.8 -2,-0.3 2,-0.4 -0.733 24.5-153.6 -88.8 135.8 47.6 35.1 28.3 20 27 A I E -BC 78 115A 33 95,-2.0 95,-2.4 -2,-0.4 2,-0.4 -0.914 10.1-170.9-114.3 135.5 48.1 38.8 29.0 21 28 A V E -BC 77 114A 0 56,-2.2 56,-2.4 -2,-0.4 2,-0.5 -0.986 10.7-150.2-122.9 139.0 51.4 40.7 28.6 22 29 A E E -BC 76 113A 42 91,-2.7 90,-2.6 -2,-0.4 91,-1.2 -0.947 18.3-175.9-109.3 126.3 51.8 44.3 29.7 23 30 A Y E -BC 75 111A 0 52,-2.6 52,-2.8 -2,-0.5 2,-0.4 -0.949 20.9-152.3-121.1 142.7 54.3 46.5 27.9 24 31 A Y E +BC 74 110A 8 86,-2.4 86,-2.9 -2,-0.4 2,-0.3 -0.899 34.0 162.3 -94.9 139.2 55.7 50.0 28.3 25 32 A F E -BC 73 109A 0 48,-2.4 48,-2.1 -2,-0.4 84,-0.2 -0.991 35.9-144.8-152.6 161.9 56.8 51.6 25.1 26 33 A E E - C 0 108A 12 82,-1.9 81,-3.2 -2,-0.3 82,-1.0 -0.995 30.7-128.2-125.3 120.5 57.7 54.9 23.3 27 34 A P E - C 0 106A 27 0, 0.0 2,-0.4 0, 0.0 79,-0.3 -0.339 11.3-150.9 -66.5 152.7 56.7 55.1 19.6 28 35 A N S S- 0 0 71 77,-2.6 3,-0.1 3,-0.1 -2,-0.0 -0.858 76.4 -29.0-127.4 87.7 59.3 56.2 17.0 29 36 A G S S+ 0 0 82 -2,-0.4 2,-0.3 1,-0.3 77,-0.1 0.456 120.4 83.2 86.8 1.6 57.7 57.9 14.1 30 37 A V S S- 0 0 34 75,-0.4 -1,-0.3 1,-0.1 0, 0.0 -0.828 86.2 -88.8-125.4 167.0 54.3 56.2 14.3 31 38 A S > - 0 0 55 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.306 38.7-110.8 -67.3 159.8 51.2 56.7 16.3 32 39 A P H > S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.872 119.1 52.4 -57.5 -39.7 50.8 55.0 19.8 33 40 A E H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.876 109.9 47.8 -68.4 -37.7 48.1 52.8 18.4 34 41 A E H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 109.8 52.4 -72.5 -37.6 50.2 51.6 15.5 35 42 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.944 111.0 48.3 -55.6 -49.8 53.2 51.0 17.8 36 43 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.868 111.5 48.4 -63.9 -41.9 51.0 48.8 20.0 37 44 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.827 108.3 55.2 -66.3 -34.9 49.6 46.8 17.0 38 45 A R H X S+ 0 0 41 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.901 109.1 48.1 -63.0 -39.8 53.1 46.3 15.7 39 46 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.945 113.1 47.3 -64.2 -47.8 54.0 44.8 19.1 40 47 A A H < S+ 0 0 0 -4,-2.4 21,-0.4 1,-0.2 -2,-0.2 0.878 115.7 45.8 -60.9 -41.1 50.9 42.6 19.1 41 48 A S H ><>S+ 0 0 1 -4,-2.5 5,-2.3 2,-0.2 3,-1.5 0.942 111.9 48.2 -67.0 -52.1 51.6 41.5 15.5 42 49 A E H 3<5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 114.5 47.9 -65.7 -26.5 55.3 40.8 15.9 43 50 A S T 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.390 125.2 25.4 -95.0 4.1 54.6 38.8 19.1 44 51 A S T < 5S- 0 0 0 -3,-1.5 -3,-0.2 -4,-0.2 16,-0.1 0.153 129.4 -22.6-127.2-108.9 51.8 36.8 17.4 45 52 A I T 5S- 0 0 0 1,-0.3 523,-1.9 -5,-0.2 524,-0.6 0.484 72.7-145.6 -97.4 -4.5 51.2 35.9 13.7 46 53 A G < 0 0 4 -5,-2.3 -1,-0.3 521,-0.2 -3,-0.1 -0.557 360.0 360.0 77.3-137.7 53.2 38.7 12.0 47 54 A T 0 0 58 -2,-0.2 521,-0.1 -5,-0.1 0, 0.0 -0.450 360.0 360.0-120.6 360.0 51.8 40.1 8.7 48 ! 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 49 58 A L 0 0 153 0, 0.0 2,-0.3 0, 0.0 734,-0.1 0.000 360.0 360.0 360.0 -77.3 48.2 36.1 -2.2 50 59 A W - 0 0 83 732,-0.1 2,-0.4 516,-0.1 737,-0.0 -0.814 360.0 -83.1-101.8 147.1 48.6 32.8 -0.3 51 60 A K - 0 0 132 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.284 38.3-132.7 -61.3 106.2 45.7 31.5 1.8 52 61 A L - 0 0 79 -2,-0.4 5,-0.1 1,-0.1 -1,-0.1 -0.424 37.0-117.8 -56.7 104.0 45.8 33.1 5.3 53 62 A P > - 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.031 7.5-123.7 -59.0 147.8 45.4 30.0 7.5 54 63 A E H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.864 112.6 55.1 -52.7 -41.1 42.3 29.7 9.8 55 64 A M H > S+ 0 0 35 515,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.827 102.3 57.1 -66.7 -32.4 44.6 29.1 12.8 56 65 A A H 4 S+ 0 0 0 -3,-0.5 -1,-0.2 514,-0.3 -2,-0.2 0.938 106.8 47.7 -62.2 -45.8 46.4 32.3 12.0 57 66 A K H >< S+ 0 0 125 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.930 114.1 47.9 -61.0 -42.7 43.2 34.4 12.3 58 67 A R H 3< S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.804 108.2 56.2 -66.9 -29.6 42.3 32.6 15.5 59 68 A S T 3< S+ 0 0 2 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.2 0.198 75.1 129.9 -93.1 12.9 45.8 33.2 17.0 60 69 A M < - 0 0 35 -3,-1.2 2,-0.1 -4,-0.1 -19,-0.1 -0.526 54.0-133.1 -70.9 129.4 45.9 37.0 16.6 61 70 A A - 0 0 0 -21,-0.4 2,-0.4 -2,-0.3 18,-0.2 -0.436 20.0-146.8 -71.7 157.4 47.0 38.9 19.7 62 71 A K E - D 0 78A 43 16,-1.9 16,-3.0 -2,-0.1 2,-0.7 -0.985 11.4-142.4-134.7 123.9 44.8 41.9 20.7 63 72 A V E +aD 8 77A 0 -56,-2.8 -54,-2.6 -2,-0.4 14,-0.3 -0.740 29.8 166.6 -75.8 117.0 45.8 45.2 22.4 64 73 A F E + 0 0 36 12,-2.1 2,-0.3 -2,-0.7 -1,-0.1 0.388 60.3 41.7-117.6 -1.3 42.8 45.8 24.7 65 74 A Y E + D 0 76A 82 11,-1.1 11,-2.0 -54,-0.0 2,-0.3 -0.976 56.2 164.1-149.2 133.1 44.3 48.6 26.9 66 75 A L E + D 0 75A 21 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.859 9.8 156.8-154.0 113.5 46.4 51.5 25.9 67 76 A E E - D 0 74A 113 7,-2.0 7,-2.5 -2,-0.3 2,-0.1 -0.945 44.3-101.2-135.4 155.7 47.0 54.6 28.1 68 77 A K E - D 0 73A 113 -2,-0.3 5,-0.3 5,-0.2 2,-0.3 -0.443 38.1-175.3 -71.8 148.7 49.7 57.2 28.3 69 78 A H E > - D 0 72A 104 3,-2.5 3,-2.5 1,-0.2 2,-0.0 -0.838 50.9 -54.6-153.6 115.5 52.3 56.7 31.1 70 79 A G T 3 S- 0 0 64 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.0 -0.325 123.8 -13.3 51.3-122.5 55.1 59.1 32.0 71 80 A E T 3 S+ 0 0 114 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.423 139.9 16.3 -88.8 2.9 57.0 59.8 28.8 72 81 A G E < S- D 0 69A 0 -3,-2.5 -3,-2.5 -46,-0.1 2,-0.3 -0.285 86.1 -83.6-141.8-137.1 55.4 56.8 26.9 73 82 A Y E -BD 25 68A 55 -48,-2.1 -48,-2.4 -5,-0.3 2,-0.4 -0.979 18.1-136.5-147.8 150.9 52.5 54.4 27.0 74 83 A I E -BD 24 67A 24 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.961 23.0-172.4-109.6 132.3 51.4 51.1 28.6 75 84 A A E -BD 23 66A 0 -52,-2.8 -52,-2.6 -2,-0.4 2,-0.4 -0.948 13.4-154.6-117.7 145.8 49.6 48.5 26.5 76 85 A K E -BD 22 65A 58 -11,-2.0 -12,-2.1 -2,-0.4 -11,-1.1 -0.980 17.8-167.1-114.8 134.5 48.0 45.3 27.6 77 86 A I E -BD 21 63A 0 -56,-2.4 -56,-2.2 -2,-0.4 2,-0.5 -0.974 12.4-141.3-129.2 136.1 47.8 42.6 24.9 78 87 A A E -BD 20 62A 0 -16,-3.0 -16,-1.9 -2,-0.4 -58,-0.2 -0.881 14.7-167.2-104.0 130.6 45.8 39.3 24.9 79 88 A Y E -B 19 0A 0 -60,-2.8 -60,-2.5 -2,-0.5 -18,-0.1 -0.937 17.4-134.0-121.1 117.2 47.4 36.2 23.4 80 89 A P E > -B 18 0A 18 0, 0.0 3,-2.0 0, 0.0 -62,-0.1 -0.479 24.9-120.6 -67.6 149.4 45.3 33.0 22.6 81 90 A L G > S+ 0 0 26 -64,-0.5 3,-1.6 1,-0.3 5,-0.1 0.590 104.9 83.3 -73.6 -10.2 47.0 29.9 23.8 82 91 A T G 3 S+ 0 0 33 1,-0.2 -1,-0.3 -24,-0.1 488,-0.1 0.688 84.3 62.0 -59.8 -17.0 47.1 28.6 20.2 83 92 A L G < S+ 0 0 0 -3,-2.0 2,-0.3 486,-0.1 -1,-0.2 0.593 97.7 74.4 -80.3 -9.3 50.3 30.8 19.9 84 93 A F S < S- 0 0 4 -3,-1.6 2,-0.9 -4,-0.1 513,-0.0 -0.809 71.3-136.4-121.2 138.3 52.2 28.7 22.6 85 94 A E > - 0 0 27 -2,-0.3 3,-1.9 3,-0.2 7,-0.2 -0.855 44.6-126.5 -80.3 108.9 53.9 25.4 23.0 86 95 A E T 3 S+ 0 0 81 -2,-0.9 34,-0.1 1,-0.3 35,-0.1 -0.267 90.3 25.1 -66.0 140.7 52.5 24.5 26.4 87 96 A G T 3 S+ 0 0 23 33,-0.3 2,-0.9 1,-0.1 -1,-0.3 0.288 97.6 105.4 89.3 -10.2 55.2 23.6 28.9 88 97 A S <> + 0 0 1 -3,-1.9 4,-1.8 1,-0.2 3,-0.3 -0.749 37.3 173.3-112.3 94.6 57.9 25.7 27.1 89 98 A L H > S+ 0 0 0 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.871 83.4 63.2 -61.8 -34.5 58.7 28.9 28.8 90 99 A V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 104.4 45.5 -51.9 -49.1 61.5 29.3 26.2 91 100 A Q H > S+ 0 0 0 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.884 109.5 54.4 -67.9 -37.7 58.9 29.4 23.4 92 101 A L H >X S+ 0 0 0 -4,-1.8 4,-2.7 -7,-0.2 3,-0.5 0.950 111.2 45.8 -57.9 -49.7 56.7 31.9 25.3 93 102 A F H 3X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.847 106.4 59.3 -67.1 -29.6 59.6 34.2 25.7 94 103 A S H 3< S+ 0 0 1 -4,-1.9 5,-0.4 -5,-0.2 -1,-0.2 0.860 114.2 38.7 -63.1 -32.4 60.6 33.8 22.1 95 104 A A H << S+ 0 0 3 -4,-1.5 3,-0.5 -3,-0.5 5,-0.2 0.941 128.5 26.3 -81.2 -53.4 57.1 35.1 21.2 96 105 A V H < S+ 0 0 0 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.534 133.3 31.9 -96.4 -6.4 56.5 37.9 23.7 97 106 A A S < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 593,-0.2 -0.023 103.3 81.0-138.2 32.2 60.1 38.9 24.5 98 107 A G S > S- 0 0 1 -3,-0.5 3,-1.8 -4,-0.2 589,-0.4 0.480 100.9 -3.8-105.3-116.9 61.9 38.3 21.2 99 108 A N G > S+ 0 0 50 -5,-0.4 3,-1.5 1,-0.3 4,-0.3 0.677 112.1 86.3 -55.5 -20.5 62.2 40.4 18.1 100 109 A V G > S+ 0 0 1 1,-0.3 3,-1.0 -5,-0.2 -1,-0.3 0.808 82.7 56.7 -53.5 -32.9 59.8 42.8 19.7 101 110 A F G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.696 103.6 54.3 -73.0 -22.4 62.7 44.7 21.4 102 111 A G G < S+ 0 0 38 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.416 76.6 135.2 -89.8 1.4 64.5 45.3 18.1 103 112 A M X - 0 0 25 -3,-1.0 3,-1.6 -4,-0.3 622,-0.1 -0.297 48.5-150.5 -66.9 126.4 61.5 47.0 16.4 104 113 A K T 3 S+ 0 0 98 1,-0.3 -1,-0.1 620,-0.2 621,-0.1 0.747 93.4 66.1 -65.6 -24.8 62.5 50.2 14.5 105 114 A A T 3 S+ 0 0 3 -78,-0.1 -77,-2.6 -70,-0.1 2,-0.4 0.465 98.1 64.7 -79.7 -2.9 59.0 51.7 15.1 106 115 A L E < -C 27 0A 0 -3,-1.6 3,-0.1 -79,-0.3 -81,-0.0 -0.939 58.7-163.3-117.9 144.2 59.7 51.9 18.9 107 116 A K E S+ 0 0 107 -81,-3.2 2,-0.3 1,-0.4 -1,-0.1 0.737 85.0 2.1 -82.9 -33.2 62.3 53.9 20.7 108 117 A N E -C 26 0A 28 -82,-1.0 -82,-1.9 2,-0.0 -1,-0.4 -0.988 60.6-173.5-157.9 147.9 61.9 51.8 23.8 109 118 A L E -C 25 0A 0 -2,-0.3 174,-2.1 -84,-0.2 2,-0.4 -0.967 3.7-175.5-152.3 128.0 60.0 48.7 24.9 110 119 A R E -Ce 24 283A 32 -86,-2.9 -86,-2.4 -2,-0.3 2,-0.8 -0.993 22.6-139.8-130.3 124.5 59.8 47.1 28.3 111 120 A L E +Ce 23 284A 0 172,-2.7 174,-2.2 -2,-0.4 177,-0.3 -0.737 26.6 178.3 -79.0 113.0 58.0 43.9 29.3 112 121 A L E - 0 0 33 -90,-2.6 176,-0.3 -2,-0.8 2,-0.3 0.840 53.1 -31.2 -90.1 -38.6 56.5 44.8 32.6 113 122 A D E -C 22 0A 23 -91,-1.2 -91,-2.7 174,-0.1 -1,-0.3 -0.970 49.6-146.9-173.2 161.3 54.5 41.7 33.6 114 123 A F E -C 21 0A 0 -2,-0.3 -93,-0.2 -93,-0.2 -95,-0.0 -0.981 4.5-152.0-145.1 157.0 52.6 38.8 32.2 115 124 A H E -C 20 0A 70 -95,-2.4 -95,-2.0 -2,-0.3 -2,-0.0 -0.917 11.2-158.7-133.6 99.7 49.6 36.8 33.4 116 125 A P - 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0 0 59 22,-0.1 3,-2.4 21,-0.1 4,-0.4 -0.961 53.2 -83.7-163.5 160.4 63.6 42.2 -1.6 759 353 E P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 63,-0.1 0.783 119.2 60.6 -47.0 -39.4 65.2 41.6 -5.1 760 354 E G G 3 S+ 0 0 30 1,-0.3 4,-0.3 2,-0.1 48,-0.1 0.662 101.7 53.3 -65.6 -17.5 65.8 45.3 -5.9 761 355 E L G <> S+ 0 0 24 -3,-2.4 4,-2.5 1,-0.1 -1,-0.3 0.498 82.3 94.3 -92.3 -3.7 68.1 45.8 -2.9 762 356 E M H <> S+ 0 0 0 -3,-1.8 4,-2.6 -4,-0.4 5,-0.2 0.881 80.4 51.3 -64.1 -44.9 70.4 42.9 -3.9 763 357 E P H > S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.889 115.3 43.5 -57.5 -40.8 73.0 44.8 -5.8 764 358 E E H > S+ 0 0 83 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.894 112.6 52.1 -71.3 -42.8 73.4 47.3 -2.9 765 359 E L H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.949 114.6 42.8 -57.0 -48.7 73.4 44.6 -0.2 766 360 E I H X S+ 0 0 19 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.785 111.2 53.8 -72.9 -29.3 76.1 42.7 -2.0 767 361 E R H < S+ 0 0 177 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.962 119.9 34.2 -65.6 -47.8 78.2 45.8 -2.9 768 362 E L H < S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.876 132.5 25.6 -74.3 -42.6 78.3 46.8 0.8 769 363 E F H < S- 0 0 11 -4,-3.0 3,-0.2 -5,-0.3 -3,-0.2 0.474 98.8-126.5-113.5 -3.8 78.3 43.4 2.5 770 364 E G < - 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0 0 3 -3,-1.2 3,-2.5 1,-0.1 7,-0.2 -0.614 66.0-126.9 -78.4 132.9 55.3 38.6 -4.9 785 379 E P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.645 109.0 46.5 -58.2 -18.3 52.2 39.2 -7.1 786 380 E D T 3 S- 0 0 94 1,-0.3 4,-0.2 31,-0.1 3,-0.2 0.396 122.0 -94.4-102.3 0.1 52.7 35.8 -8.8 787 381 E G <> - 0 0 14 -3,-2.5 4,-1.9 1,-0.2 -1,-0.3 -0.352 44.6 -62.1 115.0 170.6 53.3 33.8 -5.7 788 382 E P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.846 127.4 56.2 -59.0 -39.8 56.1 32.5 -3.5 789 383 E R H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.942 111.2 44.5 -61.0 -45.1 57.7 30.4 -6.2 790 384 E A H > S+ 0 0 13 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.843 110.7 54.7 -64.3 -36.4 57.9 33.4 -8.5 791 385 E G H X S+ 0 0 0 -4,-1.9 4,-2.6 -10,-0.4 -2,-0.2 0.904 107.5 49.8 -66.9 -40.2 59.3 35.5 -5.6 792 386 E A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.911 111.3 49.3 -61.9 -43.6 62.1 33.0 -5.0 793 387 E K H X S+ 0 0 82 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 110.1 51.3 -61.4 -46.8 62.9 33.0 -8.6 794 388 E A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 110.4 48.1 -57.1 -52.5 63.0 36.8 -8.6 795 389 E L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.911 110.9 50.6 -53.5 -48.4 65.3 37.0 -5.6 796 390 E R H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.887 111.4 49.9 -61.0 -36.0 67.7 34.4 -7.2 797 391 E D H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.879 107.5 52.0 -71.6 -36.3 67.8 36.4 -10.4 798 392 E A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.847 111.8 48.2 -66.9 -32.4 68.5 39.7 -8.6 799 393 E I H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.924 109.8 51.0 -73.0 -44.6 71.5 38.0 -6.9 800 394 E D H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 6,-0.2 0.915 113.1 46.6 -57.2 -46.6 72.8 36.5 -10.2 801 395 E A H <>S+ 0 0 2 -4,-2.3 5,-1.7 2,-0.2 4,-0.4 0.806 110.2 52.8 -63.6 -37.3 72.6 39.9 -11.8 802 396 E A H ><5S+ 0 0 22 -4,-1.5 3,-1.0 3,-0.2 -2,-0.2 0.959 114.1 42.3 -64.3 -48.3 74.3 41.6 -8.8 803 397 E I H 3<5S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.2 50.4 -65.0 -43.2 77.2 39.1 -8.9 804 398 E E T 3<5S- 0 0 145 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.417 113.1-116.0 -75.5 -0.5 77.5 39.2 -12.7 805 399 E G T < 5 + 0 0 70 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.582 66.3 148.0 72.1 13.2 77.6 43.0 -12.7 806 400 E V < - 0 0 56 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.665 52.3-114.9 -86.8 132.7 74.3 43.2 -14.6 807 401 E D >> - 0 0 130 -2,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.387 22.4-127.3 -58.6 135.4 71.8 46.0 -14.2 808 402 E L H 3> S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.879 109.6 52.0 -53.8 -44.1 68.5 44.7 -12.7 809 403 E D H 3> S+ 0 0 117 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.803 110.2 50.0 -67.1 -29.5 66.4 46.4 -15.4 810 404 E E H X4 S+ 0 0 108 -3,-0.5 3,-0.7 1,-0.2 4,-0.3 0.895 111.3 47.1 -68.8 -45.5 68.5 44.6 -18.0 811 405 E K H >< S+ 0 0 50 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.787 102.5 68.1 -59.4 -33.2 68.2 41.2 -16.3 812 406 E A H >< S+ 0 0 6 -4,-1.5 3,-0.7 1,-0.3 7,-0.3 0.750 85.8 66.8 -71.9 -22.7 64.4 41.9 -16.1 813 407 E K T << S+ 0 0 151 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.715 111.9 33.7 -68.8 -21.8 64.0 41.6 -19.8 814 408 E S T < S+ 0 0 93 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.254 116.0 61.3-112.6 11.2 64.9 37.9 -19.5 815 409 E S <> - 0 0 1 -3,-0.7 4,-2.6 -4,-0.3 -1,-0.2 -0.778 54.4-177.9-138.9 90.8 63.3 37.3 -16.1 816 410 E P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.868 87.2 55.2 -54.9 -37.9 59.5 37.9 -16.0 817 411 E E H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -23,-0.1 0.950 111.1 42.2 -63.3 -51.6 59.5 37.1 -12.3 818 412 E L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 110.1 59.1 -61.0 -39.7 62.1 39.8 -11.4 819 413 E K H X S+ 0 0 97 -4,-2.6 4,-1.1 -7,-0.3 -2,-0.2 0.951 107.4 45.7 -54.1 -50.9 60.5 42.3 -13.8 820 414 E K H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.2 54.7 -63.5 -35.4 57.2 42.1 -11.8 821 415 E S H < S+ 0 0 30 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.893 101.7 56.3 -65.8 -41.5 59.1 42.4 -8.5 822 416 E L H < 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 360.0 360.0 -67.3 -26.8 60.8 45.6 -9.5 823 417 E R < 0 0 202 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.686 360.0 360.0 -74.4 360.0 57.4 47.1 -10.1