==== 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 UNKNOWN FUNCTION 18-JAN-05 1YKW . COMPND 2 MOLECULE: RUBISCO-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; . AUTHOR H.LI,M.R.SAWAYA,F.R.TABITA,D.EISENBERG . 826 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 8.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 49 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 3 0 0 6 2 2 6 2 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 6 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 197 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.2 27.1 39.6 55.7 2 5 A D > + 0 0 76 1,-0.2 3,-1.0 2,-0.1 4,-0.1 -0.289 360.0 133.7-119.5 49.9 29.9 39.2 58.2 3 6 A V G > S+ 0 0 22 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.845 74.3 64.4 -35.8 -46.5 31.6 36.2 56.8 4 7 A K G > S+ 0 0 118 -3,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.678 83.0 72.4 -73.1 -14.5 34.7 38.4 57.5 5 8 A G G < S+ 0 0 19 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.552 94.3 56.8 -68.1 -8.8 34.1 38.4 61.3 6 9 A F G < S+ 0 0 17 -3,-1.7 48,-3.4 -4,-0.1 2,-0.4 0.152 93.6 83.7-109.6 17.0 35.3 34.8 61.2 7 10 A F B < +a 54 0A 38 -3,-1.3 2,-0.3 46,-0.2 48,-0.2 -0.987 53.4 164.5-123.1 127.6 38.6 35.6 59.6 8 11 A A - 0 0 21 46,-2.2 2,-0.3 -2,-0.4 78,-0.1 -0.996 38.0-115.9-142.3 146.8 41.7 36.8 61.5 9 12 A S >> - 0 0 58 -2,-0.3 3,-1.3 1,-0.1 4,-0.6 -0.625 28.3-129.2 -66.4 135.2 45.4 37.2 61.1 10 13 A R G >4 S+ 0 0 117 45,-0.4 3,-0.9 -2,-0.3 5,-0.2 0.866 110.2 57.8 -51.8 -37.5 47.4 34.9 63.5 11 14 A E G 34 S+ 0 0 156 1,-0.2 -1,-0.2 3,-0.1 4,-0.0 0.644 98.1 58.7 -72.7 -16.8 49.3 38.1 64.5 12 15 A S G <4 S+ 0 0 86 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.633 100.2 74.0 -85.2 -15.5 46.1 39.9 65.6 13 16 A L S << S- 0 0 32 -3,-0.9 2,-1.2 -4,-0.6 3,-0.1 -0.667 84.8-121.4-100.8 151.9 45.3 37.2 68.1 14 17 A D > - 0 0 96 -2,-0.3 3,-2.4 1,-0.2 4,-0.1 -0.782 31.8-165.0 -82.0 93.7 46.7 36.2 71.5 15 18 A M G > S+ 0 0 38 -2,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.670 78.1 75.3 -68.4 -14.1 47.6 32.7 70.3 16 19 A E G 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 112,-0.2 0.718 96.0 52.5 -62.6 -16.7 48.1 31.5 73.9 17 20 A Q G < S+ 0 0 84 -3,-2.4 72,-1.8 110,-0.1 73,-0.5 0.376 103.8 68.7-100.9 -1.0 44.3 31.5 74.1 18 21 A Y E < -B 88 0A 21 -3,-1.4 2,-0.3 70,-0.3 110,-0.1 -0.944 66.5-140.7-122.0 140.7 43.6 29.4 71.0 19 22 A L E -B 87 0A 0 68,-3.1 68,-2.8 -2,-0.4 2,-0.6 -0.680 27.7-133.5 -81.2 152.6 44.1 25.8 69.9 20 23 A V E -BC 86 123A 11 103,-2.3 103,-2.3 -2,-0.3 2,-0.4 -0.959 24.9-170.5-113.2 117.9 45.3 25.6 66.2 21 24 A L E -BC 85 122A 0 64,-3.0 64,-2.7 -2,-0.6 2,-0.5 -0.863 12.3-154.4-112.8 139.6 43.4 23.1 64.2 22 25 A D E +BC 84 121A 43 99,-2.3 98,-2.9 -2,-0.4 99,-1.5 -0.974 20.4 178.9-113.5 125.5 44.2 21.8 60.7 23 26 A Y E -BC 83 119A 3 60,-2.6 60,-2.6 -2,-0.5 2,-0.4 -0.959 24.9-150.7-123.2 144.6 41.2 20.5 58.6 24 27 A Y E +BC 82 118A 19 94,-2.9 94,-3.2 -2,-0.4 2,-0.3 -0.917 36.2 164.4 -98.5 141.7 40.8 19.1 55.1 25 28 A L E -BC 81 117A 0 56,-2.1 56,-2.5 -2,-0.4 2,-0.5 -0.981 38.7-134.2-154.3 159.7 37.3 19.8 53.8 26 29 A E E -BC 80 116A 0 90,-2.0 90,-0.8 -2,-0.3 2,-0.3 -0.988 29.0-161.8-122.2 116.4 35.1 19.9 50.7 27 30 A S E -B 79 0A 0 52,-2.2 52,-1.8 -2,-0.5 2,-0.4 -0.688 8.6-149.3 -98.6 151.8 33.0 23.1 50.5 28 31 A V E -B 78 0A 13 85,-2.4 50,-0.2 -2,-0.3 2,-0.2 -0.990 65.6 -5.0-122.6 126.3 29.9 23.7 48.3 29 32 A G S S+ 0 0 23 48,-2.2 47,-0.1 -2,-0.4 50,-0.1 -0.552 120.5 11.0 90.4-161.1 29.2 27.2 47.1 30 33 A D > - 0 0 105 -2,-0.2 4,-2.1 1,-0.1 -2,-0.2 -0.316 69.7-142.9 -57.6 124.3 31.1 30.3 48.0 31 34 A I H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.925 94.6 44.8 -57.0 -57.9 34.3 29.2 49.8 32 35 A E H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.788 112.6 54.0 -63.8 -28.6 34.7 32.0 52.5 33 36 A T H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 108.6 48.1 -67.0 -47.3 31.0 31.7 53.3 34 37 A A H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.898 111.8 51.6 -59.8 -41.6 31.3 27.9 53.9 35 38 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.875 109.2 47.8 -64.2 -42.8 34.3 28.6 56.1 36 39 A A H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.906 112.5 49.6 -65.2 -43.8 32.6 31.2 58.3 37 40 A H H X S+ 0 0 85 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.907 109.9 52.0 -56.2 -45.1 29.6 28.9 58.7 38 41 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.947 112.3 45.8 -57.7 -51.0 32.0 26.0 59.6 39 42 A C H < S+ 0 0 0 -4,-2.5 13,-0.6 1,-0.2 4,-0.3 0.880 114.0 48.7 -55.2 -43.7 33.6 28.3 62.3 40 43 A S H >< S+ 0 0 28 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.900 107.2 53.5 -70.2 -42.4 30.2 29.5 63.6 41 44 A E H 3< S+ 0 0 88 -4,-2.9 66,-0.4 1,-0.3 -1,-0.2 0.809 109.9 49.4 -64.5 -28.8 28.8 26.0 63.9 42 45 A Q T 3< S- 0 0 1 -4,-1.4 -1,-0.3 65,-0.2 -2,-0.2 0.477 136.1 -4.4 -85.6 -1.3 31.8 24.9 66.0 43 46 A S < 0 0 21 -3,-1.3 8,-0.2 -4,-0.3 -3,-0.2 0.024 360.0 360.0-151.7-104.0 31.5 27.9 68.4 44 47 A T 0 0 58 -5,-0.2 -4,-0.2 6,-0.1 7,-0.1 0.925 360.0 360.0 -89.8 360.0 29.1 30.8 68.0 45 ! 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 46 59 A F 0 0 118 0, 0.0 2,-0.4 0, 0.0 -40,-0.0 0.000 360.0 360.0 360.0 121.6 30.5 36.2 66.4 47 60 A R > - 0 0 106 1,-0.1 4,-2.3 -42,-0.0 3,-0.2 -0.902 360.0-132.0-102.1 134.4 31.9 37.1 69.8 48 61 A L T 4 S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.767 108.5 40.7 -53.8 -27.9 35.5 38.4 69.9 49 62 A V T 4 S+ 0 0 88 1,-0.1 -1,-0.2 41,-0.0 41,-0.2 0.752 123.5 32.1 -90.7 -31.2 36.0 35.9 72.9 50 63 A H T 4 S+ 0 0 24 -3,-0.2 2,-0.4 40,-0.1 -2,-0.2 0.506 88.2 103.2-118.5 -7.1 34.1 32.8 71.8 51 64 A A < - 0 0 0 -4,-2.3 2,-0.2 -8,-0.2 -11,-0.1 -0.681 62.2-135.2 -81.9 131.9 34.3 32.6 68.0 52 65 A A - 0 0 0 -13,-0.6 2,-0.3 -2,-0.4 35,-0.2 -0.573 32.0-158.6 -68.3 145.3 36.6 30.1 66.2 53 66 A K E - D 0 86A 17 33,-2.0 33,-2.8 -2,-0.2 2,-0.6 -0.977 20.6-114.0-139.0 143.3 38.3 32.0 63.3 54 67 A V E +aD 7 85A 3 -48,-3.4 -46,-2.2 -2,-0.3 31,-0.2 -0.649 30.3 172.7 -78.5 116.9 40.1 31.2 60.0 55 68 A I E - 0 0 24 29,-2.5 -45,-0.4 -2,-0.6 2,-0.3 0.635 68.9 -5.0 -98.6 -18.4 43.8 32.1 60.2 56 69 A D E - D 0 84A 105 28,-1.4 28,-2.9 -47,-0.1 -1,-0.4 -0.953 59.5-179.5-162.9 154.4 44.8 30.5 56.9 57 70 A Y E - D 0 83A 67 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.952 11.2-157.4-156.5 149.5 43.3 28.5 54.0 58 71 A E E - D 0 82A 101 24,-2.9 24,-2.3 -2,-0.3 2,-0.7 -0.994 16.6-140.2-127.4 121.3 44.5 27.0 50.8 59 72 A V E - D 0 81A 62 -2,-0.4 22,-0.2 22,-0.2 3,-0.1 -0.756 20.2-173.9 -79.1 115.7 42.2 26.1 47.9 60 73 A I E - 0 0 53 20,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.927 53.4 -43.4 -78.5 -48.2 43.6 22.8 46.6 61 74 A E E - D 0 80A 90 19,-1.1 19,-2.6 2,-0.0 2,-0.4 -0.975 51.7 -95.4-169.6 163.3 41.4 22.3 43.6 62 75 A E E - D 0 79A 87 -2,-0.3 2,-0.3 17,-0.2 17,-0.3 -0.806 41.3-154.0 -84.5 136.2 37.9 22.4 42.1 63 76 A L E - D 0 78A 25 15,-2.5 15,-0.7 -2,-0.4 3,-0.1 -0.843 19.5-148.6-110.4 149.2 36.2 19.0 42.2 64 77 A E S S+ 0 0 172 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.642 88.5 7.6 -82.3 -14.7 33.5 17.7 39.9 65 78 A Q S S- 0 0 158 13,-0.1 -1,-0.3 -3,-0.0 0, 0.0 -0.976 89.4 -90.2-167.9 142.5 32.1 15.6 42.7 66 79 A L - 0 0 12 -2,-0.3 -2,-0.0 -3,-0.1 14,-0.0 -0.224 40.3-115.6 -56.2 154.8 32.6 15.1 46.4 67 80 A S S S+ 0 0 45 1,-0.1 -1,-0.1 219,-0.1 220,-0.1 0.784 104.6 24.9 -65.9 -32.4 35.2 12.5 47.3 68 81 A Y S S- 0 0 17 218,-0.1 2,-1.9 416,-0.0 -1,-0.1 -0.976 94.6-110.0-129.3 144.1 32.5 10.3 49.0 69 82 A P + 0 0 125 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.440 45.8 178.4 -79.6 73.2 28.7 10.6 48.0 70 83 A V - 0 0 16 -2,-1.9 2,-0.4 1,-0.1 -4,-0.1 -0.493 37.7-105.8 -76.2 138.6 27.2 12.3 51.2 71 84 A K + 0 0 73 660,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.510 59.8 151.7 -59.8 116.8 23.5 13.1 51.3 72 85 A H - 0 0 63 -2,-0.4 657,-0.1 1,-0.1 659,-0.1 -0.984 44.5-157.2-155.5 145.7 23.3 16.9 50.9 73 86 A S + 0 0 40 -2,-0.3 656,-0.1 655,-0.3 -1,-0.1 0.736 62.0 109.7 -90.9 -26.6 20.9 19.5 49.5 74 87 A E - 0 0 60 655,-0.1 2,-0.3 1,-0.1 -45,-0.1 -0.135 50.4-160.7 -58.0 142.1 23.5 22.3 48.9 75 88 A T + 0 0 132 -47,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.859 36.5 73.2-120.8 157.4 24.3 23.1 45.3 76 89 A G S S- 0 0 49 -2,-0.3 37,-0.0 -47,-0.1 2,-0.0 -0.698 80.1 -21.5 134.3 174.7 27.3 25.0 43.8 77 90 A K - 0 0 126 -2,-0.2 -48,-2.2 -49,-0.1 2,-0.5 -0.293 57.5-138.8 -53.3 134.9 30.9 24.7 43.0 78 91 A I E -BD 28 63A 25 -15,-0.7 -15,-2.5 -50,-0.2 2,-0.4 -0.891 24.4-179.8-102.4 127.3 32.8 22.0 44.9 79 92 A H E -BD 27 62A 33 -52,-1.8 -52,-2.2 -2,-0.5 2,-0.4 -0.994 25.0-137.7-128.7 136.7 36.3 22.8 46.2 80 93 A A E +BD 26 61A 0 -19,-2.6 -20,-2.2 -2,-0.4 -19,-1.1 -0.757 35.0 180.0 -82.7 136.7 38.9 20.9 48.2 81 94 A C E -BD 25 59A 0 -56,-2.5 -56,-2.1 -2,-0.4 2,-0.5 -0.998 31.8-147.6-139.9 145.2 40.5 23.1 50.9 82 95 A R E -BD 24 58A 134 -24,-2.3 -24,-2.9 -2,-0.3 2,-0.4 -0.950 32.4-172.6-101.0 131.5 43.1 22.9 53.7 83 96 A V E -BD 23 57A 1 -60,-2.6 -60,-2.6 -2,-0.5 2,-0.5 -0.979 20.0-153.6-134.3 142.6 42.1 25.2 56.5 84 97 A T E -BD 22 56A 26 -28,-2.9 -29,-2.5 -2,-0.4 -28,-1.4 -0.960 18.5-169.9-119.6 122.2 43.7 26.4 59.6 85 98 A I E -BD 21 54A 0 -64,-2.7 -64,-3.0 -2,-0.5 2,-0.6 -0.934 19.1-147.4-121.7 132.4 41.4 27.5 62.4 86 99 A A E -BD 20 53A 0 -33,-2.8 -33,-2.0 -2,-0.4 -66,-0.2 -0.901 22.4-169.3 -92.6 116.6 42.2 29.2 65.7 87 100 A H E -B 19 0A 0 -68,-2.8 -68,-3.1 -2,-0.6 2,-0.2 -0.929 22.3-126.0-116.7 117.2 39.7 27.9 68.3 88 101 A P E > -B 18 0A 2 0, 0.0 3,-1.3 0, 0.0 -70,-0.3 -0.403 13.3-152.4 -68.4 124.3 39.5 29.7 71.7 89 102 A H G >> S+ 0 0 18 -72,-1.8 4,-3.1 1,-0.3 3,-1.2 0.592 83.8 81.6 -79.5 -8.2 40.0 27.1 74.4 90 103 A C G 34 S+ 0 0 44 -73,-0.5 519,-0.4 1,-0.2 -1,-0.3 0.709 81.8 69.6 -59.6 -23.2 38.0 29.0 77.0 91 104 A N G <4 S+ 0 0 23 -3,-1.3 515,-0.4 -42,-0.1 -1,-0.2 0.770 121.7 7.0 -65.3 -27.4 34.9 27.5 75.3 92 105 A F T <4 S- 0 0 6 -3,-1.2 -2,-0.2 -4,-0.2 6,-0.2 0.637 90.4-151.8-131.7 -29.9 35.8 24.0 76.6 93 106 A G < - 0 0 16 -4,-3.1 2,-2.2 1,-0.1 6,-0.1 -0.119 54.3 -38.3 81.1-177.2 38.7 24.1 79.0 94 107 A P S S+ 0 0 38 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.410 99.6 119.5 -82.1 60.3 41.3 21.4 79.8 95 108 A K > - 0 0 31 -2,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.985 57.8-148.9-135.1 116.1 38.7 18.7 79.6 96 109 A I H > S+ 0 0 1 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.884 96.1 48.0 -58.8 -45.2 39.0 15.9 77.0 97 110 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.922 113.4 48.4 -63.8 -39.8 35.3 15.3 76.3 98 111 A N H > S+ 0 0 16 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.890 110.6 52.7 -63.3 -39.7 34.6 19.0 75.9 99 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-0.4 0.945 111.0 45.6 -56.2 -53.0 37.6 19.3 73.6 100 113 A L H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 108.9 56.4 -59.4 -42.4 36.3 16.5 71.4 101 114 A T H < S+ 0 0 4 -4,-2.4 5,-0.4 -5,-0.2 4,-0.3 0.840 113.1 41.9 -56.7 -36.6 32.8 17.9 71.4 102 115 A A H < S+ 0 0 7 -4,-1.4 3,-0.2 -3,-0.4 -2,-0.2 0.864 122.6 32.5 -83.1 -40.6 34.1 21.3 70.0 103 116 A V H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.573 135.9 19.2-102.2 -12.1 36.7 20.1 67.3 104 117 A C S < S+ 0 0 2 -4,-2.1 588,-0.3 -5,-0.3 591,-0.2 -0.135 106.1 96.7-145.6 46.5 35.1 16.9 66.0 105 118 A G S > S- 0 0 1 -4,-0.3 4,-1.5 586,-0.2 5,-0.2 0.018 91.6 -44.7-114.7-143.3 31.5 17.2 67.1 106 119 A E H > S+ 0 0 59 -5,-0.4 4,-1.6 1,-0.2 3,-0.3 0.933 133.4 44.1 -64.7 -47.3 28.1 18.3 65.7 107 120 A G H 4 S+ 0 0 4 -66,-0.4 4,-0.5 -6,-0.3 -65,-0.2 0.825 108.4 59.8 -62.1 -36.5 29.4 21.5 64.0 108 121 A T H 4 S+ 0 0 0 -7,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 120.1 22.9 -63.0 -41.4 32.4 19.8 62.6 109 122 A Y H < S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.483 122.7 50.8-107.4 -9.4 30.4 17.2 60.6 110 123 A F < + 0 0 35 -4,-1.6 -2,-0.1 -5,-0.2 -1,-0.1 0.038 66.1 131.2-123.5 26.1 27.0 18.9 60.1 111 124 A T > - 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0 0 19 -3,-1.6 4,-0.9 1,-0.2 -1,-0.4 -0.562 46.9 -55.7 112.6 179.4 9.3 36.3 70.9 794 392 B P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.869 130.4 54.4 -61.9 -41.0 10.3 32.9 72.6 795 393 B K H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -2,-0.1 0.944 111.2 43.0 -60.6 -49.8 6.8 32.6 74.3 796 394 B A H > S+ 0 0 9 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.704 111.3 57.0 -69.9 -22.7 4.9 33.0 71.0 797 395 B G H X S+ 0 0 0 -4,-0.9 4,-1.0 -10,-0.5 -1,-0.2 0.892 108.7 45.2 -73.1 -42.4 7.4 30.7 69.3 798 396 B A H X S+ 0 0 0 -4,-2.3 4,-1.7 -11,-0.3 3,-0.3 0.887 111.7 54.2 -64.8 -39.9 6.6 28.0 71.8 799 397 B K H X S+ 0 0 83 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.876 102.0 57.0 -59.2 -44.1 2.8 28.7 71.4 800 398 B S H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.828 105.7 52.2 -56.4 -33.6 3.0 28.2 67.6 801 399 B I H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.940 111.0 45.3 -70.8 -48.6 4.4 24.7 68.2 802 400 B R H X S+ 0 0 66 -4,-1.7 4,-2.1 -208,-0.3 -2,-0.2 0.869 112.4 52.6 -61.8 -36.6 1.5 23.8 70.6 803 401 B Q H X S+ 0 0 23 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.879 108.6 49.9 -64.1 -42.2 -1.0 25.3 68.1 804 402 B A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.904 109.2 52.1 -62.9 -42.8 0.4 23.2 65.3 805 403 B W H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 109.5 49.7 -59.0 -45.2 0.2 20.1 67.5 806 404 B E H X S+ 0 0 77 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.880 106.7 54.3 -65.0 -38.7 -3.5 20.9 68.2 807 405 B A H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-0.4 0.940 109.4 49.7 -53.7 -48.0 -4.2 21.4 64.5 808 406 B I H ><5S+ 0 0 16 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.903 107.5 52.7 -59.9 -43.9 -2.8 17.9 63.9 809 407 B E H 3<5S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.754 112.1 46.4 -59.5 -29.8 -4.9 16.3 66.7 810 408 B Q T 3<5S- 0 0 108 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.427 111.7-120.7 -88.1 -2.9 -8.1 17.8 65.0 811 409 B G T < 5 + 0 0 68 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.820 68.9 138.8 56.2 32.7 -7.0 16.6 61.6 812 410 B I < - 0 0 49 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.796 58.6-106.0-101.1 147.5 -7.0 20.3 60.5 813 411 B S > - 0 0 43 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.458 24.2-119.1 -69.3 149.8 -4.3 21.8 58.2 814 412 B I H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.881 115.5 52.6 -49.8 -44.3 -1.7 24.1 59.8 815 413 B E H > S+ 0 0 110 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.865 109.4 46.3 -67.0 -39.7 -3.0 26.8 57.4 816 414 B T H >4 S+ 0 0 68 -3,-0.2 3,-0.6 2,-0.2 4,-0.4 0.948 114.3 48.4 -66.5 -47.6 -6.7 26.5 58.4 817 415 B W H >< S+ 0 0 33 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.921 105.5 58.3 -58.2 -47.0 -5.8 26.4 62.1 818 416 B A H >< S+ 0 0 2 -4,-2.8 3,-2.0 1,-0.3 7,-0.4 0.796 87.0 77.4 -51.8 -36.4 -3.5 29.5 61.7 819 417 B E T << S+ 0 0 148 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.731 109.8 27.4 -44.4 -29.8 -6.5 31.5 60.4 820 418 B T T < S+ 0 0 106 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.190 114.7 67.6-119.4 12.5 -7.7 31.8 64.1 821 419 B H X> - 0 0 43 -3,-2.0 4,-1.9 -4,-0.2 3,-0.8 -0.821 62.1-164.5-138.7 94.1 -4.3 31.5 65.9 822 420 B P H 3> S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.772 85.0 56.7 -57.3 -33.6 -2.0 34.5 65.4 823 421 B E H 3> S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 -23,-0.2 0.896 111.9 42.6 -65.0 -42.1 1.2 33.0 66.6 824 422 B L H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.865 111.2 57.5 -70.1 -36.0 1.0 30.1 64.1 825 423 B Q H X S+ 0 0 59 -4,-1.9 4,-1.7 -7,-0.4 -2,-0.2 0.833 101.7 54.6 -62.0 -35.3 -0.1 32.6 61.5 826 424 B A H X S+ 0 0 16 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.876 108.3 50.4 -67.0 -35.6 3.1 34.6 61.9 827 425 B M H < S+ 0 0 18 -4,-1.1 3,-0.3 1,-0.2 -2,-0.2 0.891 108.9 49.2 -69.8 -41.3 5.1 31.4 61.3 828 426 B V H < S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 102.1 67.5 -62.9 -33.1 3.2 30.6 58.1 829 427 B D H < 0 0 118 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 360.0 360.0 -59.2 -40.4 3.9 34.2 57.1 830 428 B Q < 0 0 147 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.1 0.963 360.0 360.0 -76.9 360.0 7.7 33.6 56.8