==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-10 3ORP . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.C.GOOD,N.ECHOLS,T.N.LOMBANA,T.ALBER,TB STRUCTURAL GENOMICS . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 0 0.0 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 . 13 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 2 0 0 0 1 1 2 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 0 1 1 0 2 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 1 0 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 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 0 169 0, 0.0 83,-0.1 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 122.2 13.4 19.3 -7.4 2 2 A T - 0 0 123 1,-0.1 3,-0.1 43,-0.0 41,-0.0 0.725 360.0-130.7 -33.9 144.9 13.3 22.1 -4.9 3 3 A T - 0 0 22 1,-0.1 -1,-0.1 38,-0.0 40,-0.0 -0.610 46.7-111.0 -67.2 131.0 11.5 23.2 -1.8 4 4 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.088 14.8-117.8 -68.2 174.4 10.5 26.8 -2.3 5 5 A S S S+ 0 0 84 1,-0.1 8,-2.3 7,-0.1 2,-0.3 0.619 97.6 33.6 -84.8 -17.8 11.9 29.7 -0.3 6 6 A H E -A 12 0A 79 6,-0.2 2,-0.5 22,-0.0 6,-0.2 -0.998 66.4-151.9-139.2 141.2 8.6 30.6 1.2 7 7 A L E >> S-A 11 0A 0 4,-2.0 4,-2.2 -2,-0.3 3,-1.8 -0.971 79.0 -17.5-115.0 126.1 5.5 28.6 2.3 8 8 A S T 34 S- 0 0 64 -2,-0.5 -1,-0.1 1,-0.3 72,-0.0 0.783 110.9 -75.0 58.2 32.5 2.0 30.2 2.3 9 9 A D T 34 S+ 0 0 160 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.808 130.3 72.8 52.2 33.5 3.4 33.7 2.1 10 10 A R T <4 S+ 0 0 40 -3,-1.8 21,-3.2 1,-0.2 2,-0.7 0.590 75.3 64.3-144.7 -39.0 4.3 33.3 5.8 11 11 A Y E < -AB 7 30A 2 -4,-2.2 -4,-2.0 19,-0.2 2,-0.7 -0.895 60.3-159.6-104.9 108.5 7.2 31.0 6.5 12 12 A E E -AB 6 29A 93 17,-2.7 17,-2.6 -2,-0.7 -6,-0.2 -0.787 21.1-135.3 -84.8 116.6 10.5 32.2 5.2 13 13 A L E + B 0 28A 25 -8,-2.3 15,-0.3 -2,-0.7 3,-0.1 -0.515 29.4 170.7 -78.6 137.2 12.8 29.1 5.0 14 14 A G E - 0 0 51 13,-3.6 -1,-0.1 1,-0.4 14,-0.1 0.044 50.6 -8.7-110.0-131.6 16.3 29.3 6.2 15 15 A E E - 0 0 126 11,-0.1 12,-3.0 1,-0.1 -1,-0.4 -0.218 68.5-110.1 -72.4 156.1 18.8 26.5 6.6 16 16 A I E - B 0 26A 93 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.647 29.2-175.4 -83.3 135.9 17.9 22.8 6.3 17 17 A L E - 0 0 70 8,-3.2 2,-0.3 -2,-0.4 9,-0.2 0.768 54.5 -36.8 -99.8 -33.5 18.1 21.0 9.7 18 18 A G E - B 0 25A 27 7,-1.7 7,-2.9 2,-0.0 -1,-0.3 -0.984 43.2-137.7-177.2 174.0 17.5 17.4 8.8 19 19 A F E - B 0 24A 155 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.963 11.8-178.1-149.0 161.2 15.8 14.7 6.8 20 20 A G - 0 0 27 3,-2.2 143,-0.0 -2,-0.3 23,-0.0 -0.649 56.9 -65.9-138.8-160.3 14.3 11.3 7.3 21 21 A G S S+ 0 0 33 -2,-0.2 3,-0.1 1,-0.2 142,-0.1 0.693 132.0 16.0 -68.2 -17.7 12.7 8.7 5.0 22 22 A M S S+ 0 0 18 1,-0.1 21,-2.4 140,-0.1 2,-0.3 0.627 118.7 51.2-125.0 -26.1 9.7 11.0 4.2 23 23 A S E - C 0 42A 7 19,-0.2 -3,-2.2 20,-0.1 2,-0.4 -0.796 49.0-150.4-129.5 154.3 10.6 14.6 5.1 24 24 A E E -BC 19 41A 27 17,-2.9 17,-3.2 -2,-0.3 2,-0.5 -0.980 25.1-151.9-118.0 138.5 13.0 17.4 4.9 25 25 A V E -BC 18 40A 27 -7,-2.9 -8,-3.2 -2,-0.4 -7,-1.7 -0.960 13.6-173.1-118.6 126.0 13.0 19.8 7.9 26 26 A H E -BC 16 39A 19 13,-2.4 13,-3.2 -2,-0.5 2,-0.4 -0.907 28.2-120.9-120.0 141.1 14.0 23.5 7.6 27 27 A L E + C 0 38A 24 -12,-3.0 -13,-3.6 -2,-0.3 2,-0.3 -0.675 45.5 177.7 -70.3 133.6 14.5 26.3 10.0 28 28 A A E -BC 13 37A 2 9,-2.8 9,-2.6 -2,-0.4 2,-0.6 -0.963 31.8-125.9-139.4 158.0 12.0 29.0 9.1 29 29 A R E -BC 12 36A 124 -17,-2.6 -17,-2.7 -2,-0.3 2,-0.9 -0.929 20.0-141.4-104.1 117.6 10.9 32.4 10.2 30 30 A D E >> -BC 11 35A 4 5,-3.2 4,-1.3 -2,-0.6 5,-1.0 -0.735 15.6-168.6 -74.6 107.6 7.2 32.7 10.8 31 31 A L T 45S+ 0 0 78 -21,-3.2 -1,-0.2 -2,-0.9 -20,-0.1 0.720 80.5 53.1 -75.5 -26.0 6.6 36.3 9.5 32 32 A R T 45S+ 0 0 166 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.965 125.0 20.9 -68.8 -55.5 3.0 36.5 10.9 33 33 A D T 45S- 0 0 68 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.347 101.2-120.6-102.1 1.6 3.8 35.6 14.5 34 34 A H T <5 + 0 0 163 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.943 63.5 137.9 53.2 61.3 7.6 36.4 14.7 35 35 A R E < -C 30 0A 110 -5,-1.0 -5,-3.2 2,-0.0 2,-0.5 -0.995 56.5-129.0-137.3 134.6 8.7 32.9 15.6 36 36 A D E +C 29 0A 66 -2,-0.4 58,-0.6 -7,-0.2 2,-0.3 -0.727 43.7 171.3 -74.1 128.3 11.6 30.6 14.6 37 37 A V E -CD 28 93A 0 -9,-2.6 -9,-2.8 -2,-0.5 2,-0.5 -0.900 36.9-119.5-136.3 162.6 10.0 27.3 13.7 38 38 A A E -CD 27 92A 7 54,-2.6 54,-2.8 -2,-0.3 2,-0.6 -0.938 27.6-156.1-103.4 123.9 10.9 24.0 12.2 39 39 A V E -CD 26 91A 0 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.7 -0.926 1.5-154.9-107.0 120.2 9.0 23.2 9.0 40 40 A K E -CD 25 90A 24 50,-3.1 50,-2.4 -2,-0.6 2,-0.4 -0.852 20.7-178.7 -94.7 113.7 8.6 19.6 8.0 41 41 A V E -CD 24 89A 0 -17,-3.2 -17,-2.9 -2,-0.7 48,-0.2 -0.900 36.6 -99.0-115.1 141.5 8.1 19.3 4.3 42 42 A L E -C 23 0A 0 46,-2.0 -19,-0.2 -2,-0.4 5,-0.1 -0.350 60.0 -92.7 -52.4 129.0 7.5 16.3 2.1 43 43 A R >> - 0 0 55 -21,-2.4 3,-1.7 1,-0.1 4,-1.0 -0.296 27.9-135.0 -56.3 128.7 10.9 15.6 0.5 44 44 A A G >4 S+ 0 0 21 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.867 105.5 54.1 -50.3 -42.8 11.2 17.4 -2.9 45 45 A D G 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.655 119.2 33.4 -73.1 -14.9 12.7 14.2 -4.5 46 46 A L G X4 S+ 0 0 25 -3,-1.7 3,-1.8 -24,-0.1 7,-0.3 0.424 89.0 101.5-110.9 -3.4 9.7 12.1 -3.3 47 47 A A T << S+ 0 0 16 -4,-1.0 -2,-0.1 -3,-0.7 -3,-0.1 0.689 82.2 47.0 -69.9 -23.8 6.9 14.7 -3.5 48 48 A R T 3 S+ 0 0 196 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.509 85.8 103.1 -90.2 -7.7 5.4 13.6 -6.8 49 49 A D <> - 0 0 73 -3,-1.8 4,-2.3 1,-0.2 3,-0.4 -0.691 68.5-145.6 -80.6 118.5 5.4 9.9 -5.8 50 50 A P H > S+ 0 0 90 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.869 95.3 54.7 -50.7 -45.0 1.7 9.2 -4.9 51 51 A S H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 112.4 41.7 -63.2 -39.4 2.6 6.8 -2.1 52 52 A F H > S+ 0 0 47 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.883 113.3 52.0 -74.3 -41.5 4.8 9.3 -0.3 53 53 A Y H X S+ 0 0 49 -4,-2.3 4,-2.2 -7,-0.3 -2,-0.2 0.963 113.7 44.4 -55.7 -53.4 2.5 12.2 -0.8 54 54 A L H X S+ 0 0 73 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.900 112.8 50.9 -62.9 -43.9 -0.5 10.2 0.7 55 55 A R H X S+ 0 0 47 -4,-2.1 4,-3.2 -5,-0.3 5,-0.3 0.924 108.8 52.9 -57.3 -42.7 1.6 8.8 3.5 56 56 A F H <>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 6,-0.3 0.942 110.3 46.3 -59.6 -49.0 2.7 12.4 4.4 57 57 A R H <5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 120.8 40.0 -58.0 -37.1 -0.9 13.6 4.5 58 58 A R H <5S+ 0 0 163 -4,-1.9 102,-0.2 -5,-0.2 -2,-0.2 0.834 130.2 18.1 -81.0 -37.6 -1.9 10.6 6.7 59 59 A E T ><5S+ 0 0 51 -4,-3.2 3,-2.6 -5,-0.2 -3,-0.2 0.829 124.4 35.1-102.3 -85.9 1.1 10.2 9.0 60 60 A A G > 5S+ 0 0 5 -5,-0.3 3,-1.2 1,-0.3 -3,-0.2 0.750 117.2 53.1 -45.7 -42.6 3.5 13.1 9.5 61 61 A Q G 3 - 0 0 44 -2,-0.7 3,-2.2 3,-0.4 -2,-0.1 -0.981 66.5-119.6-150.1 142.3 4.6 20.0 27.6 69 69 A P T 3 S+ 0 0 102 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.769 116.1 46.2 -52.5 -29.3 8.2 21.3 28.1 70 70 A A T 3 S+ 0 0 11 83,-0.1 84,-2.8 51,-0.1 2,-0.4 0.190 100.4 82.5-101.0 15.7 9.7 17.9 26.9 71 71 A I B < S-f 154 0B 1 -3,-2.2 2,-0.5 82,-0.2 -3,-0.4 -0.983 83.1-120.4-122.0 128.5 7.4 17.6 23.9 72 72 A V - 0 0 9 82,-2.7 -6,-0.3 -2,-0.4 84,-0.3 -0.541 38.5-129.5 -63.5 117.1 8.0 19.2 20.5 73 73 A A - 0 0 17 -2,-0.5 20,-3.0 -8,-0.1 2,-0.5 -0.416 9.5-139.5 -72.8 142.6 4.9 21.4 20.0 74 74 A V E +E 92 0A 32 18,-0.2 18,-0.3 -8,-0.2 3,-0.1 -0.927 25.1 171.0-101.2 126.5 2.9 21.3 16.7 75 75 A Y E - 0 0 98 16,-2.7 2,-0.3 -2,-0.5 17,-0.2 0.785 54.4 -11.3-104.5 -36.4 1.7 24.7 15.5 76 76 A D E -E 91 0A 56 15,-1.7 15,-3.2 2,-0.0 -1,-0.3 -0.974 43.3-151.1-163.1 156.4 0.3 24.4 12.1 77 77 A T E +E 90 0A 66 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.949 29.7 144.5-130.8 156.9 -0.2 22.2 9.0 78 78 A G E -E 89 0A 17 11,-2.0 11,-2.6 -2,-0.3 2,-0.3 -0.971 37.4-120.6-170.5-177.3 -0.7 23.4 5.4 79 79 A E E -E 88 0A 69 -2,-0.3 2,-0.3 9,-0.3 -2,-0.0 -0.985 19.1-148.1-144.3 126.7 0.0 22.6 1.7 80 80 A A E -E 87 0A 10 7,-2.7 7,-2.9 -2,-0.3 2,-0.6 -0.709 15.1-130.9 -95.7 145.1 1.9 24.9 -0.7 81 81 A E E +E 86 0A 142 -2,-0.3 -73,-0.1 5,-0.2 -2,-0.0 -0.861 33.2 172.8 -95.6 124.5 1.1 25.0 -4.4 82 82 A T E > -E 85 0A 29 3,-1.1 3,-2.0 -2,-0.6 -79,-0.0 -0.873 48.8-109.4-121.0 159.8 4.2 24.6 -6.7 83 83 A P T 3 S+ 0 0 146 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.758 124.1 55.1 -57.7 -24.0 4.6 24.3 -10.4 84 84 A A T 3 S- 0 0 35 1,-0.3 -3,-0.0 -83,-0.1 0, 0.0 0.542 125.3 -95.5 -78.8 -8.9 5.6 20.7 -9.6 85 85 A G E < - E 0 82A 19 -3,-2.0 -3,-1.1 2,-0.0 -1,-0.3 -0.688 67.3 -17.7 119.4-178.0 2.3 20.1 -7.6 86 86 A P E - E 0 81A 44 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.375 49.3-161.9 -66.2 136.0 1.2 20.3 -3.9 87 87 A L E - E 0 80A 8 -7,-2.9 -7,-2.7 -2,-0.1 2,-0.1 -0.903 10.7-155.6-123.6 100.9 3.8 20.3 -1.2 88 88 A P E + E 0 79A 0 0, 0.0 -46,-2.0 0, 0.0 2,-0.3 -0.409 18.0 173.0 -79.3 154.2 2.4 19.4 2.2 89 89 A Y E -DE 41 78A 6 -11,-2.6 -11,-2.0 -48,-0.2 2,-0.3 -0.973 25.8-144.5-150.6 164.8 4.1 20.5 5.4 90 90 A I E -DE 40 77A 0 -50,-2.4 -50,-3.1 -2,-0.3 2,-0.5 -0.993 17.5-144.1-136.4 137.1 3.7 20.6 9.2 91 91 A V E +DE 39 76A 1 -15,-3.2 -16,-2.7 -2,-0.3 -15,-1.7 -0.904 29.9 163.6-108.1 129.0 5.0 23.5 11.3 92 92 A M E -DE 38 74A 11 -54,-2.8 -54,-2.6 -2,-0.5 -18,-0.2 -0.828 43.0 -63.9-140.3 171.9 6.5 22.7 14.7 93 93 A E E -D 37 0A 35 -20,-3.0 2,-0.4 -2,-0.3 -56,-0.2 -0.428 54.4-122.8 -55.8 127.7 8.6 23.9 17.7 94 94 A Y - 0 0 56 -58,-0.6 2,-0.6 -2,-0.2 -1,-0.1 -0.657 24.5-165.2 -77.2 125.5 12.2 24.5 16.6 95 95 A V - 0 0 17 -2,-0.4 2,-1.0 2,-0.1 51,-0.1 -0.976 10.3-153.0-111.1 119.3 14.8 22.5 18.6 96 96 A D + 0 0 92 -2,-0.6 52,-2.4 49,-0.1 2,-0.3 -0.827 66.5 60.1 -86.2 103.7 18.4 23.6 18.2 97 97 A G E S-G 147 0B 29 -2,-1.0 2,-0.3 50,-0.3 50,-0.2 -0.961 80.1 -77.0 168.3-159.5 20.1 20.3 18.9 98 98 A V E -G 146 0B 62 48,-1.9 48,-2.8 -2,-0.3 2,-0.1 -0.938 33.3-108.7-137.8 157.8 20.5 16.7 17.8 99 99 A T E > -G 145 0B 15 -2,-0.3 4,-2.8 46,-0.3 46,-0.3 -0.464 31.2-114.9 -79.4 158.6 18.7 13.4 17.9 100 100 A L H > S+ 0 0 0 44,-2.3 4,-3.0 41,-1.2 5,-0.2 0.816 119.5 58.8 -62.4 -31.6 19.8 10.5 20.1 101 101 A R H > S+ 0 0 134 40,-0.9 4,-1.9 43,-0.3 -1,-0.2 0.925 108.4 45.3 -60.7 -45.6 20.4 8.6 16.8 102 102 A D H > S+ 0 0 70 39,-0.2 4,-2.7 2,-0.2 5,-0.3 0.959 114.7 47.7 -58.9 -53.8 22.8 11.4 15.9 103 103 A I H X>S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 5,-0.6 0.914 111.3 49.2 -58.1 -46.2 24.5 11.4 19.3 104 104 A V H X5S+ 0 0 14 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.919 114.4 47.2 -64.5 -37.0 24.9 7.6 19.5 105 105 A H H <5S+ 0 0 163 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.925 120.5 35.1 -63.6 -48.5 26.4 7.6 16.1 106 106 A T H <5S+ 0 0 99 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.883 136.5 18.4 -82.0 -36.2 28.9 10.5 16.6 107 107 A E H <5S- 0 0 127 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.451 92.7-141.3-111.1 -7.2 29.8 9.9 20.3 108 108 A G << + 0 0 20 -4,-1.4 -1,-0.3 -5,-0.6 89,-0.2 -0.303 62.5 5.2 67.5-159.5 28.8 6.3 20.9 109 109 A P S S- 0 0 46 0, 0.0 86,-0.2 0, 0.0 2,-0.2 -0.108 73.6-124.5 -61.3 146.0 27.3 5.5 24.3 110 110 A M - 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0 0 88 -4,-2.2 -1,-0.0 -5,-0.3 0, 0.0 -0.817 65.6-129.9-113.3 136.4 14.8 -13.8 22.1 217 232 A D - 0 0 137 -2,-0.4 24,-0.1 1,-0.1 2,-0.1 -0.570 32.4-116.1 -76.2 135.6 16.1 -12.4 25.4 218 233 A P - 0 0 15 0, 0.0 -17,-0.1 0, 0.0 -1,-0.1 -0.414 31.3-106.6 -65.3 148.2 18.3 -9.3 25.1 219 234 A I - 0 0 87 -19,-0.4 5,-0.1 1,-0.1 0, 0.0 -0.642 48.2-100.0 -69.7 131.6 21.9 -9.6 26.2 220 235 A P >> - 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.367 29.7-120.1 -59.0 135.3 22.1 -7.8 29.5 221 236 A P H >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.0 0.827 111.3 59.7 -42.7 -45.4 23.6 -4.3 29.0 222 237 A S H 34 S+ 0 0 30 1,-0.3 6,-0.2 2,-0.2 5,-0.1 0.775 102.1 54.2 -62.2 -25.9 26.5 -5.0 31.3 223 238 A A H <4 S+ 0 0 70 -3,-2.0 -1,-0.3 1,-0.2 3,-0.1 0.780 111.8 44.4 -73.0 -28.9 27.6 -8.0 29.0 224 239 A R H << S+ 0 0 77 -3,-1.0 2,-0.3 -4,-0.9 -2,-0.2 0.649 126.1 16.3 -90.6 -18.4 27.7 -5.7 25.9 225 240 A H S < S- 0 0 73 -4,-1.4 3,-0.5 3,-0.1 -1,-0.3 -0.979 75.9-122.4-159.3 140.7 29.4 -2.7 27.4 226 241 A E S S+ 0 0 179 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.575 85.8 47.6 -92.7 153.0 31.5 -2.1 30.5 227 242 A G S S+ 0 0 71 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.435 81.5 122.2 97.8 5.5 30.9 0.4 33.3 228 243 A L - 0 0 19 -3,-0.5 -1,-0.3 -6,-0.2 -3,-0.1 -0.891 55.1-136.4-107.7 125.4 27.2 -0.6 33.6 229 244 A S > - 0 0 57 -2,-0.5 4,-1.9 -3,-0.1 3,-0.3 -0.271 19.9-116.0 -80.3 163.4 25.9 -1.9 36.9 230 245 A A H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 42,-0.3 0.770 116.6 60.9 -65.7 -29.0 23.6 -4.8 37.6 231 246 A D H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.842 104.2 49.4 -66.3 -35.3 21.0 -2.4 38.9 232 247 A L H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.911 106.8 54.3 -71.8 -41.0 21.0 -0.9 35.4 233 248 A D H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.926 107.1 54.1 -48.1 -46.9 20.6 -4.3 33.9 234 249 A A H X S+ 0 0 4 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.922 111.5 41.1 -60.2 -48.3 17.5 -4.8 36.1 235 250 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.933 117.2 47.8 -66.6 -48.9 15.7 -1.6 35.0 236 251 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.957 113.8 46.8 -57.2 -50.7 16.5 -2.1 31.3 237 252 A L H < S+ 0 0 36 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.763 109.2 54.2 -72.9 -21.5 15.5 -5.7 31.3 238 253 A K H >< S+ 0 0 41 -4,-1.6 3,-1.5 -5,-0.3 -1,-0.2 0.932 109.8 47.4 -69.7 -45.7 12.2 -5.0 33.1 239 254 A A H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -51,-0.2 0.853 114.5 49.6 -58.9 -33.8 11.3 -2.4 30.5 240 255 A L T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.290 79.9 134.5 -92.5 11.2 12.3 -5.0 27.9 241 256 A A < - 0 0 19 -3,-1.5 6,-0.1 1,-0.1 -3,-0.1 -0.251 56.6-135.7 -59.6 147.4 10.2 -7.9 29.4 242 257 A K S S+ 0 0 48 4,-0.1 -1,-0.1 -73,-0.1 -71,-0.1 0.886 90.0 66.4 -74.8 -40.4 8.3 -9.8 26.7 243 258 A N S > S- 0 0 79 1,-0.1 3,-2.2 -73,-0.1 4,-0.5 -0.743 78.9-143.5 -86.1 119.2 5.0 -9.9 28.7 244 259 A P G > S+ 0 0 28 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.828 100.6 61.6 -49.8 -34.7 3.6 -6.4 29.1 245 260 A E G 3 S+ 0 0 121 1,-0.3 4,-0.1 -3,-0.0 -3,-0.0 0.715 101.5 52.7 -66.2 -23.3 2.4 -7.4 32.6 246 261 A N G < S+ 0 0 105 -3,-2.2 -1,-0.3 2,-0.1 -5,-0.1 0.500 100.5 76.6 -91.4 -3.7 6.0 -8.0 33.6 247 262 A R S < S- 0 0 2 -3,-1.3 -8,-0.2 -4,-0.5 2,-0.2 -0.362 105.4 -67.3 -90.8 175.7 7.2 -4.5 32.5 248 263 A Y - 0 0 2 -13,-0.2 -1,-0.2 1,-0.1 -64,-0.1 -0.508 46.3-146.5 -52.6 128.9 6.8 -1.1 34.1 249 264 A Q S S+ 0 0 59 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.710 76.7 21.9 -81.8 -22.7 3.1 -0.6 33.8 250 265 A T S > S- 0 0 58 -69,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.938 77.0-117.3-135.7 159.8 3.4 3.2 33.4 251 266 A A H > S+ 0 0 1 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.832 117.5 58.8 -60.1 -33.3 6.1 5.6 32.2 252 267 A A H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 103.6 50.0 -63.6 -40.3 5.9 7.1 35.8 253 268 A E H > S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.881 111.3 49.2 -66.7 -37.9 6.8 3.7 37.3 254 269 A M H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.3 0.937 110.4 50.4 -65.7 -46.4 9.8 3.4 34.9 255 270 A R H X S+ 0 0 84 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 104.6 58.4 -58.7 -43.9 11.0 6.9 35.7 256 271 A A H X S+ 0 0 39 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.862 107.5 46.3 -55.7 -40.9 10.8 6.2 39.5 257 272 A D H X S+ 0 0 1 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.878 111.9 50.8 -70.4 -37.7 13.3 3.2 39.1 258 273 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.889 108.5 52.8 -64.9 -38.9 15.6 5.3 37.0 259 274 A V H X S+ 0 0 50 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.879 108.4 50.8 -62.5 -40.2 15.5 8.0 39.7 260 275 A R H ><>S+ 0 0 61 -4,-1.6 5,-3.0 -5,-0.2 3,-0.5 0.948 112.5 45.6 -58.7 -51.5 16.5 5.4 42.3 261 276 A V H ><5S+ 0 0 18 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.914 108.0 56.4 -63.2 -39.9 19.4 4.3 40.2 262 277 A H H 3<5S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 111.3 45.9 -58.5 -29.5 20.4 7.9 39.5 263 278 A N T <<5S- 0 0 100 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.281 120.7-108.7 -96.3 7.7 20.6 8.3 43.4 264 279 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.796 75.2 136.0 67.0 29.2 22.5 5.1 43.9 265 280 A E < - 0 0 103 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.767 64.6 -96.7-101.0 153.7 19.5 3.4 45.5 266 281 A P - 0 0 99 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.472 40.5-124.7 -66.0 138.0 18.4 -0.1 44.6 267 282 A P - 0 0 19 0, 0.0 -10,-0.1 0, 0.0 4,-0.1 -0.342 11.0-125.9 -72.9 166.7 15.7 -0.3 41.9 268 283 A E S S+ 0 0 146 2,-0.1 3,-0.1 -2,-0.1 -11,-0.0 0.632 77.8 108.4 -85.8 -14.2 12.5 -2.2 42.5 269 284 A A S S- 0 0 9 1,-0.1 -34,-0.1 -38,-0.1 -35,-0.1 -0.240 85.2 -88.7 -59.6 147.5 13.0 -4.3 39.4 270 285 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.306 51.7 -98.7 -60.1 141.6 13.9 -8.0 39.8 271 286 A K - 0 0 187 -3,-0.1 2,-0.5 -4,-0.1 -40,-0.1 -0.249 29.4-150.7 -58.6 145.5 17.6 -8.7 40.1 272 287 A V - 0 0 35 -42,-0.3 2,-0.5 -3,-0.1 -38,-0.1 -0.992 11.8-153.3-121.4 123.3 19.5 -9.9 37.0 273 288 A L + 0 0 152 -2,-0.5 2,-0.3 -40,-0.1 -2,-0.0 -0.849 17.1 174.9-102.4 127.8 22.5 -12.2 37.6 274 289 A T 0 0 65 -2,-0.5 -44,-0.0 -52,-0.0 -2,-0.0 -0.786 360.0 360.0-117.8 167.2 25.6 -12.6 35.4 275 290 A D 0 0 204 -2,-0.3 -2,-0.0 -52,-0.0 -52,-0.0 -0.738 360.0 360.0-130.8 360.0 28.5 -13.9 35.1