==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-11 3QA0 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BATTISTUTTA,A.RANCHIO,E.PAPINUTTO . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0.3 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 . 55 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 7 0 2 1 0 0 4 0 2 0 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 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 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 S 0 0 167 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.7 34.8 53.7 7.1 2 3 A G - 0 0 40 259,-0.2 260,-0.1 2,-0.0 0, 0.0 -0.246 360.0 -38.3 101.1 164.3 31.4 53.3 8.9 3 4 A P - 0 0 68 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.090 59.4-106.1 -69.8 152.0 29.7 50.2 10.2 4 5 A V - 0 0 64 256,-1.6 256,-0.0 1,-0.1 -2,-0.0 -0.501 41.5-113.6 -67.9 134.9 29.7 46.7 8.6 5 6 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.194 33.1-164.6 -63.2 166.6 26.3 45.8 7.0 6 7 A S - 0 0 6 202,-0.1 178,-0.7 201,-0.0 2,-0.3 -0.985 10.1-166.1-150.5 151.8 24.1 43.0 8.3 7 8 A R - 0 0 141 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.985 37.8 -91.3-133.5 151.8 21.1 40.9 7.1 8 9 A A - 0 0 5 -2,-0.3 4,-0.2 1,-0.1 301,-0.1 -0.322 26.7-139.1 -50.9 132.7 18.6 38.6 8.9 9 10 A R S S+ 0 0 117 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.709 88.5 31.0 -64.3 -27.0 19.9 35.0 8.9 10 11 A V S S+ 0 0 51 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.934 120.0 16.3-135.8 160.8 16.2 34.0 8.2 11 12 A Y S S+ 0 0 72 -2,-0.3 3,-0.4 1,-0.1 4,-0.3 0.836 75.9 154.0 44.6 37.0 13.2 35.4 6.5 12 13 A T + 0 0 26 1,-0.2 3,-0.2 -4,-0.2 -4,-0.1 0.906 68.7 20.7 -59.0 -47.0 15.6 37.8 4.8 13 14 A D S >> S+ 0 0 64 1,-0.2 4,-1.5 2,-0.1 3,-0.6 0.213 81.0 117.9-114.6 14.3 13.7 38.5 1.6 14 15 A V H 3> S+ 0 0 39 -3,-0.4 4,-0.5 1,-0.3 3,-0.4 0.888 80.8 48.7 -54.2 -41.0 10.1 37.7 2.4 15 16 A N H >4 S+ 0 0 0 166,-0.4 3,-0.7 -4,-0.3 -1,-0.3 0.834 104.2 58.8 -68.1 -33.5 9.0 41.2 1.8 16 17 A T H <4 S+ 0 0 90 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.6 50.9 -63.5 -32.3 10.8 41.5 -1.5 17 18 A H H 3< S+ 0 0 155 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.603 97.3 85.9 -83.6 -10.6 8.7 38.6 -2.8 18 19 A R S << S- 0 0 102 -3,-0.7 2,-0.2 -4,-0.5 -3,-0.0 -0.349 95.5 -92.7 -78.1 163.8 5.4 40.1 -1.7 19 20 A P > - 0 0 75 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.637 41.7-112.7 -69.8 142.8 3.4 42.6 -3.8 20 21 A R G >> S+ 0 0 168 1,-0.3 4,-2.4 -2,-0.2 3,-0.5 0.784 114.4 71.0 -50.5 -30.8 4.5 46.2 -2.9 21 22 A E G 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.809 89.4 64.0 -53.0 -31.5 1.0 46.7 -1.4 22 23 A Y G <4 S+ 0 0 19 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.919 121.6 13.7 -62.3 -48.1 1.9 44.3 1.4 23 24 A W T <4 S+ 0 0 78 -3,-0.5 2,-1.9 -4,-0.5 3,-0.2 0.473 102.2 92.5-107.9 -8.1 4.7 46.5 2.9 24 25 A D >< + 0 0 39 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.1 -0.436 48.6 162.5 -88.7 65.8 4.2 49.8 1.2 25 26 A Y G > + 0 0 24 -2,-1.9 3,-3.2 1,-0.3 -1,-0.2 0.802 57.4 74.5 -62.1 -34.5 2.0 51.1 4.1 26 27 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.738 99.9 49.0 -52.4 -20.9 2.2 54.8 3.2 27 28 A S G < S+ 0 0 72 -3,-1.8 -1,-0.3 -6,-0.1 2,-0.2 0.325 82.4 121.8-103.5 6.1 -0.2 54.0 0.4 28 29 A H < - 0 0 27 -3,-3.2 2,-0.6 -4,-0.1 54,-0.0 -0.527 54.3-144.6 -68.1 133.9 -2.7 52.0 2.4 29 30 A V - 0 0 70 -2,-0.2 2,-0.3 49,-0.0 -2,-0.1 -0.905 11.9-136.4-102.6 115.7 -6.2 53.5 2.3 30 31 A V - 0 0 23 -2,-0.6 2,-0.7 1,-0.0 48,-0.0 -0.538 8.9-154.1 -68.8 129.8 -8.2 53.2 5.6 31 32 A E - 0 0 49 -2,-0.3 68,-0.2 535,-0.1 2,-0.1 -0.912 23.7-133.3-106.2 106.8 -11.8 52.1 5.1 32 33 A W - 0 0 93 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.330 12.5-149.5 -71.3 133.2 -13.7 53.4 8.2 33 34 A G - 0 0 11 66,-3.2 2,-0.8 -2,-0.1 68,-0.3 -0.241 39.9 -80.0 -82.8-178.7 -16.2 51.4 10.3 34 35 A N > - 0 0 39 1,-0.2 3,-2.3 526,-0.1 4,-0.2 -0.774 30.8-160.5 -97.8 113.8 -19.1 52.9 12.0 35 36 A Q G > S+ 0 0 57 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.760 89.8 65.6 -64.4 -26.5 -18.2 54.6 15.3 36 37 A D G 3 S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.0 22,-0.2 0.551 85.2 77.1 -67.7 -8.7 -21.9 54.5 16.6 37 38 A D G < S+ 0 0 24 -3,-2.3 21,-2.4 1,-0.1 22,-0.5 0.753 92.3 59.9 -69.8 -22.0 -21.4 50.7 16.5 38 39 A Y E < -A 57 0A 27 -3,-1.4 2,-0.5 -4,-0.2 19,-0.2 -0.925 61.6-168.0-121.9 127.2 -19.4 51.0 19.8 39 40 A Q E -A 56 0A 125 17,-2.8 17,-2.4 -2,-0.4 2,-0.2 -0.961 29.5-123.6-112.4 122.4 -20.5 52.4 23.2 40 41 A L E +A 55 0A 81 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.451 28.3 179.4 -69.9 135.6 -17.6 53.0 25.6 41 42 A V E - 0 0 74 13,-3.5 2,-0.3 1,-0.3 14,-0.2 0.866 57.9 -25.2-102.3 -57.3 -18.0 51.2 29.0 42 43 A R E -A 54 0A 137 12,-1.1 12,-3.2 0, 0.0 -1,-0.3 -0.986 64.0 -96.0-156.4 155.5 -14.9 52.1 31.1 43 44 A K E -A 53 0A 104 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.555 28.1-174.1 -71.9 130.5 -11.2 53.2 30.7 44 45 A L E - 0 0 74 8,-3.4 2,-0.3 1,-0.3 9,-0.2 0.792 57.8 -42.1 -94.7 -31.9 -8.8 50.4 30.9 45 46 A G E -A 52 0A 29 7,-1.7 7,-2.6 2,-0.0 2,-0.4 -0.982 48.1-104.2 178.4 174.5 -5.5 52.3 30.9 46 47 A R E -A 51 0A 173 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.973 32.3-172.2-121.1 133.0 -3.4 55.1 29.5 47 48 A G - 0 0 29 3,-3.7 -2,-0.0 -2,-0.4 5,-0.0 -0.610 40.3-105.5-112.7 179.1 -0.6 54.7 27.0 48 49 A K S S+ 0 0 166 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.876 123.7 17.7 -67.4 -36.1 2.1 56.9 25.6 49 50 A Y S S+ 0 0 104 1,-0.1 21,-3.9 21,-0.1 2,-0.3 0.425 127.3 37.5-116.4 -3.2 0.2 56.9 22.3 50 51 A S E - B 0 69A 9 19,-0.3 -3,-3.7 59,-0.0 2,-0.4 -0.996 55.6-136.4-152.2 155.4 -3.3 55.8 23.3 51 52 A E E -AB 46 68A 48 17,-2.4 17,-2.5 -2,-0.3 2,-0.4 -0.917 33.6-150.2-100.8 136.4 -6.2 55.7 25.8 52 53 A V E +AB 45 67A 32 -7,-2.6 -8,-3.4 -2,-0.4 -7,-1.7 -0.949 18.6 177.2-119.7 131.9 -7.6 52.2 26.1 53 54 A F E -AB 43 66A 32 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.914 31.6-124.1-130.7 150.3 -11.3 51.5 26.9 54 55 A E E +AB 42 65A 21 -12,-3.2 -13,-3.5 -2,-0.3 -12,-1.1 -0.776 43.7 173.2 -85.1 141.8 -13.6 48.6 27.2 55 56 A A E -AB 40 64A 0 9,-2.8 9,-2.8 -2,-0.4 2,-0.4 -0.930 29.6-123.6-145.5 166.3 -16.7 49.0 24.9 56 57 A I E -AB 39 63A 47 -17,-2.4 -17,-2.8 -2,-0.3 2,-0.8 -0.967 13.4-141.0-115.0 133.6 -19.7 47.2 23.6 57 58 A N E >>> -AB 38 62A 16 5,-2.6 5,-0.9 -2,-0.4 4,-0.7 -0.881 19.5-164.9 -82.6 109.5 -20.5 46.6 20.0 58 59 A I T 345S+ 0 0 76 -21,-2.4 3,-0.4 -2,-0.8 -1,-0.2 0.846 79.3 66.1 -69.9 -33.8 -24.2 47.3 20.1 59 60 A T T 345S+ 0 0 83 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.803 126.1 10.7 -57.6 -31.7 -25.0 45.7 16.7 60 61 A N T <45S- 0 0 82 -3,-0.6 -1,-0.2 -23,-0.2 -2,-0.2 0.162 96.6-122.5-134.5 16.2 -24.0 42.2 18.2 61 62 A N T <5 + 0 0 130 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.767 60.6 146.5 37.6 42.4 -23.7 42.8 21.9 62 63 A E E < -B 57 0A 120 -5,-0.9 -5,-2.6 1,-0.0 2,-0.3 -0.810 51.3-113.5-104.1 146.0 -20.1 41.6 22.0 63 64 A K E +B 56 0A 113 -2,-0.3 51,-0.7 -7,-0.2 2,-0.3 -0.612 41.1 176.7 -78.8 130.7 -17.4 43.0 24.3 64 65 A V E -BC 55 113A 12 -9,-2.8 -9,-2.8 -2,-0.3 2,-0.5 -0.884 30.4-127.3-133.0 164.3 -14.5 44.9 22.7 65 66 A V E -BC 54 112A 24 47,-2.3 47,-3.7 -2,-0.3 2,-0.5 -0.966 24.8-160.1-112.1 124.7 -11.3 46.9 23.5 66 67 A V E -BC 53 111A 7 -13,-2.7 -13,-2.8 -2,-0.5 2,-0.7 -0.926 4.6-161.8-111.0 126.5 -11.1 50.3 21.9 67 68 A K E -BC 52 110A 15 43,-3.1 43,-2.3 -2,-0.5 2,-0.7 -0.914 6.5-160.4-110.2 100.8 -7.7 52.1 21.5 68 69 A I E -BC 51 109A 16 -17,-2.5 -17,-2.4 -2,-0.7 41,-0.2 -0.785 21.4-132.3 -84.2 117.5 -8.2 55.8 20.9 69 70 A L E -B 50 0A 10 39,-2.7 -19,-0.3 -2,-0.7 38,-0.1 -0.448 5.1-132.4 -74.2 136.3 -5.0 57.1 19.4 70 71 A K - 0 0 57 -21,-3.9 -1,-0.1 -2,-0.2 2,-0.1 -0.357 54.9 -70.2 -70.6 162.4 -3.2 60.2 20.5 71 72 A P S S+ 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.408 74.2 151.9 -61.1 134.4 -2.2 62.6 17.7 72 73 A V - 0 0 45 -3,-0.1 5,-0.1 -2,-0.1 2,-0.0 -0.949 53.8 -70.7-154.5 158.1 0.6 60.9 15.7 73 74 A K >> - 0 0 143 -2,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.331 39.6-128.5 -54.7 132.1 1.8 61.0 12.1 74 75 A K H 3> S+ 0 0 152 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.806 108.7 66.3 -52.5 -32.2 -0.7 59.3 9.8 75 76 A K H 3> S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.960 101.6 46.9 -49.3 -59.1 2.4 57.3 8.4 76 77 A K H <> S+ 0 0 44 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.822 112.4 49.8 -54.1 -37.6 2.7 55.6 11.9 77 78 A I H X S+ 0 0 17 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.929 109.8 49.9 -71.5 -44.7 -1.1 54.9 12.0 78 79 A K H X S+ 0 0 53 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.923 110.6 52.8 -56.4 -45.7 -1.1 53.4 8.5 79 80 A R H X S+ 0 0 23 -4,-2.7 4,-3.2 -5,-0.2 5,-0.3 0.973 110.3 44.2 -50.1 -60.8 1.8 51.2 9.5 80 81 A E H X S+ 0 0 13 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.898 115.9 48.8 -58.0 -41.4 0.2 49.8 12.6 81 82 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.905 112.5 47.5 -65.9 -40.3 -3.0 49.2 10.8 82 83 A K H X S+ 0 0 30 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.939 112.7 48.2 -68.7 -46.5 -1.3 47.5 7.9 83 84 A I H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.928 111.5 50.8 -57.8 -47.4 0.8 45.3 10.1 84 85 A L H X S+ 0 0 1 -4,-2.7 4,-0.9 -5,-0.3 12,-0.3 0.876 112.4 46.1 -59.1 -40.6 -2.3 44.3 12.1 85 86 A E H < S+ 0 0 28 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.910 111.1 51.6 -72.5 -39.4 -4.2 43.4 9.0 86 87 A N H < S+ 0 0 24 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.846 115.3 43.8 -60.0 -35.5 -1.3 41.4 7.5 87 88 A L H >< S+ 0 0 0 -4,-2.1 3,-2.1 -5,-0.2 -1,-0.2 0.562 80.8 128.2 -90.2 -10.8 -1.0 39.5 10.7 88 89 A R T 3< S+ 0 0 48 -4,-0.9 7,-0.1 -3,-0.5 6,-0.1 -0.141 75.5 21.8 -48.4 135.6 -4.8 38.8 11.4 89 90 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.305 91.7 132.3 88.7 -9.9 -5.5 35.1 12.0 90 91 A G S X S- 0 0 7 -3,-2.1 3,-1.8 1,-0.1 -1,-0.3 -0.433 71.6 -81.7 -76.8 151.5 -1.9 34.4 13.0 91 92 A P T 3 S- 0 0 58 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.328 106.6 -9.9 -65.5 126.4 -1.3 32.4 16.2 92 93 A N T 3 S+ 0 0 20 1,-0.2 80,-3.8 -2,-0.1 2,-0.5 0.615 96.6 134.5 66.0 16.0 -1.5 34.4 19.4 93 94 A I B < -e 172 0B 2 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.868 64.2-109.2 -93.2 126.5 -1.6 37.7 17.4 94 95 A I - 0 0 8 78,-2.3 2,-0.5 -2,-0.5 -4,-0.1 -0.272 34.6-124.6 -52.7 137.2 -4.2 40.2 18.7 95 96 A T - 0 0 46 -7,-0.1 18,-2.2 -6,-0.1 2,-0.4 -0.780 10.2-145.0 -92.6 123.2 -7.1 40.6 16.2 96 97 A L E +D 112 0A 1 -2,-0.5 16,-0.2 -12,-0.3 3,-0.1 -0.751 19.9 178.3 -80.6 131.3 -8.1 44.0 14.9 97 98 A A E - 0 0 36 14,-3.4 2,-0.3 -2,-0.4 15,-0.2 0.753 57.3 -14.7-106.2 -36.0 -11.8 44.0 14.4 98 99 A D E -D 111 0A 8 13,-1.5 13,-2.6 -65,-0.1 -1,-0.4 -0.944 50.0-139.7-159.6 171.2 -12.6 47.5 13.2 99 100 A I E +D 110 0A 9 -2,-0.3 -66,-3.2 11,-0.2 2,-0.3 -0.976 28.8 169.4-142.8 132.3 -11.2 51.1 12.8 100 101 A V E -D 109 0A 6 9,-2.6 9,-2.5 -2,-0.3 2,-0.5 -0.873 37.1-104.5-142.0 167.8 -13.2 54.2 13.5 101 102 A K E -D 108 0A 87 -68,-0.3 -66,-0.1 -2,-0.3 5,-0.1 -0.876 34.3-130.1 -95.4 119.9 -13.0 58.0 13.9 102 103 A D > - 0 0 19 5,-3.3 4,-2.2 -2,-0.5 5,-0.2 -0.608 11.5-150.6 -72.1 120.8 -13.3 59.1 17.5 103 104 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.779 94.3 43.3 -59.9 -29.5 -16.0 61.9 17.5 104 105 A V T 4 S+ 0 0 136 1,-0.1 -2,-0.1 3,-0.1 -3,-0.0 0.845 127.0 26.7 -90.0 -39.4 -14.4 63.6 20.5 105 106 A S T 4 S- 0 0 48 2,-0.2 -1,-0.1 -35,-0.0 -3,-0.0 0.515 90.8-139.8 -97.7 -10.3 -10.7 63.4 19.6 106 107 A R < + 0 0 186 -4,-2.2 -5,-0.0 1,-0.2 -2,-0.0 0.635 67.4 113.4 52.5 20.5 -11.3 63.3 15.8 107 108 A T S S- 0 0 21 -5,-0.2 -5,-3.3 1,-0.1 -1,-0.2 -0.646 76.6 -78.1-110.8 166.4 -8.4 60.6 15.7 108 109 A P E - 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0 0 2 -4,-2.2 4,-0.6 27,-0.5 27,-0.2 0.134 12.6 -97.0 84.6 161.0 31.0 40.8 30.4 250 251 A T H > S+ 0 0 5 25,-3.0 4,-2.6 2,-0.1 5,-0.2 0.728 107.1 73.6 -91.0 -22.9 32.9 43.4 28.4 251 252 A E H > S+ 0 0 142 24,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.910 103.2 39.5 -57.7 -48.1 35.1 41.1 26.3 252 253 A D H > S+ 0 0 79 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.814 112.7 58.0 -72.3 -33.0 32.2 40.0 24.0 253 254 A L H X S+ 0 0 1 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.940 110.3 41.7 -59.0 -49.8 30.8 43.5 23.9 254 255 A Y H X S+ 0 0 78 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.832 112.5 55.0 -71.9 -30.5 34.1 44.8 22.5 255 256 A D H X S+ 0 0 109 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.896 109.5 49.6 -60.0 -44.9 34.3 41.8 20.2 256 257 A Y H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.951 109.2 47.4 -61.5 -53.4 30.9 42.8 19.0 257 258 A I H <>S+ 0 0 29 -4,-2.4 5,-2.2 1,-0.2 -1,-0.2 0.833 114.2 51.9 -63.1 -25.8 31.6 46.5 18.3 258 259 A D H ><5S+ 0 0 117 -4,-1.5 3,-1.8 3,-0.2 -2,-0.2 0.960 104.9 51.9 -72.0 -53.7 34.7 45.3 16.5 259 260 A K H 3<5S+ 0 0 103 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.892 119.8 36.1 -48.3 -47.3 33.1 42.8 14.2 260 261 A Y T 3<5S- 0 0 3 -4,-1.9 -256,-1.6 -5,-0.1 -1,-0.3 0.253 106.1-126.5 -94.6 10.1 30.5 45.4 13.0 261 262 A N T < 5 + 0 0 79 -3,-1.8 2,-0.3 -258,-0.2 -3,-0.2 0.830 43.8 179.9 42.6 43.2 33.0 48.3 13.2 262 263 A I < - 0 0 9 -5,-2.2 2,-0.8 -6,-0.2 -1,-0.2 -0.508 27.9-131.7 -72.2 130.1 30.6 50.2 15.4 263 264 A E - 0 0 185 -2,-0.3 2,-0.3 -59,-0.2 -1,-0.1 -0.779 25.8-141.4 -85.9 113.7 31.7 53.7 16.6 264 265 A L - 0 0 28 -2,-0.8 -61,-0.1 1,-0.1 5,-0.1 -0.548 20.6-105.1 -78.4 136.6 31.1 53.8 20.3 265 266 A D > - 0 0 68 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.362 25.0-128.4 -53.9 129.4 29.7 57.0 21.9 266 267 A P G >> S+ 0 0 91 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.772 107.4 69.0 -52.2 -29.7 32.6 58.8 23.8 267 268 A R G 34 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.842 92.8 58.4 -53.7 -36.9 30.2 58.9 26.8 268 269 A F G X> S+ 0 0 6 -3,-1.5 4,-2.0 1,-0.2 3,-0.6 0.642 88.8 77.0 -72.2 -18.4 30.5 55.0 27.1 269 270 A N H <> S+ 0 0 97 -3,-1.1 4,-0.8 -4,-0.4 3,-0.2 0.970 96.4 40.6 -56.5 -60.6 34.3 55.1 27.5 270 271 A D H 3< S+ 0 0 156 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.544 122.2 41.6 -69.7 -7.4 34.5 56.2 31.1 271 272 A I H <4 S+ 0 0 57 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.709 98.0 63.1-118.9 -25.7 31.6 54.0 32.3 272 273 A L H < S+ 0 0 0 -4,-2.0 -2,-0.1 -3,-0.2 -3,-0.1 0.918 70.7 161.3 -69.6 -44.0 31.7 50.5 30.6 273 274 A G < - 0 0 40 -4,-0.8 2,-0.4 -5,-0.3 -1,-0.2 -0.311 51.1 -46.5 62.7-137.1 35.0 49.6 32.3 274 275 A R + 0 0 230 -2,-0.1 2,-0.4 -25,-0.0 -1,-0.1 -0.977 59.9 169.2-140.6 119.9 36.0 45.9 32.4 275 276 A H - 0 0 50 -2,-0.4 -25,-3.0 -30,-0.1 -24,-0.7 -0.993 25.9-132.1-135.9 141.5 33.7 43.2 33.5 276 277 A S - 0 0 67 -2,-0.4 2,-0.5 -27,-0.2 -27,-0.5 -0.434 35.8-100.1 -80.3 160.0 33.8 39.4 33.4 277 278 A R - 0 0 153 -29,-0.3 -29,-0.2 -2,-0.1 2,-0.2 -0.749 44.0-137.8 -81.7 128.5 31.0 37.3 32.1 278 279 A K - 0 0 40 -31,-3.0 2,-0.3 -2,-0.5 -31,-0.0 -0.557 10.0-114.9 -91.0 150.1 29.0 35.9 35.1 279 280 A R > - 0 0 191 -2,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.676 25.2-125.5 -79.8 137.0 27.7 32.4 35.6 280 281 A W G > S+ 0 0 24 -2,-0.3 3,-2.3 1,-0.3 4,-0.3 0.778 101.1 80.9 -56.5 -26.7 23.8 32.3 35.8 281 282 A E G > S+ 0 0 130 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.794 74.7 73.6 -49.5 -32.7 24.1 30.5 39.1 282 283 A R G < S+ 0 0 164 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.558 97.0 49.1 -65.1 -5.4 24.7 33.9 40.9 283 284 A F G < S+ 0 0 43 -3,-2.3 2,-0.7 -4,-0.1 -1,-0.3 0.351 88.7 101.2-110.2 1.2 21.0 34.8 40.4 284 285 A V < + 0 0 55 -3,-2.3 2,-0.2 -4,-0.3 -58,-0.1 -0.806 43.5 150.9 -93.6 115.5 19.7 31.5 41.8 285 286 A H >> - 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0 0 1 -4,-1.7 4,-0.7 -5,-0.5 27,-0.2 0.150 12.7-100.1 82.5 155.9 -24.4 31.5 0.6 581 251 B T H > S+ 0 0 6 25,-2.5 4,-2.5 2,-0.2 5,-0.2 0.661 107.4 74.6 -88.2 -18.9 -21.6 29.7 -1.2 582 252 B E H > S+ 0 0 139 24,-0.6 4,-2.1 2,-0.2 -1,-0.1 0.954 103.0 37.9 -60.3 -50.9 -23.9 27.6 -3.4 583 253 B D H > S+ 0 0 78 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.821 113.9 58.5 -69.7 -32.1 -24.9 30.4 -5.8 584 254 B L H X S+ 0 0 0 -4,-0.7 4,-2.3 2,-0.2 5,-0.2 0.937 110.1 41.3 -58.4 -50.3 -21.4 31.8 -5.6 585 255 B Y H X S+ 0 0 78 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.844 112.3 55.8 -73.2 -31.2 -19.9 28.6 -6.8 586 256 B D H X S+ 0 0 108 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.872 109.2 49.5 -57.4 -43.6 -22.7 28.3 -9.4 587 257 B Y H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.952 109.0 47.6 -59.8 -55.5 -21.6 31.8 -10.6 588 258 B I H <>S+ 0 0 26 -4,-2.3 5,-2.1 1,-0.2 -1,-0.2 0.796 114.1 51.8 -64.9 -22.6 -17.9 31.1 -10.9 589 259 B D H ><5S+ 0 0 119 -4,-1.3 3,-1.6 -5,-0.2 -1,-0.2 0.959 104.3 52.8 -74.7 -53.2 -18.9 28.0 -12.8 590 260 B K H 3<5S+ 0 0 101 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.873 120.0 35.3 -46.5 -45.8 -21.3 29.6 -15.3 591 261 B Y T 3<5S- 0 0 4 -4,-1.9 -256,-2.2 -5,-0.1 -1,-0.3 0.339 105.5-126.6 -97.8 6.3 -18.6 32.1 -16.3 592 262 B N T < 5 + 0 0 74 -3,-1.6 2,-0.2 -258,-0.2 -3,-0.2 0.855 43.8 179.2 45.6 44.5 -15.7 29.6 -15.9 593 263 B I < - 0 0 10 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.2 -0.529 28.2-131.4 -72.0 133.6 -13.9 32.1 -13.6 594 264 B E - 0 0 182 -2,-0.2 2,-0.2 -59,-0.2 -1,-0.1 -0.821 26.1-141.3 -90.2 113.6 -10.6 31.0 -12.2 595 265 B L - 0 0 26 -2,-0.7 -61,-0.1 1,-0.1 5,-0.1 -0.491 20.7-103.8 -79.2 140.9 -10.7 31.7 -8.4 596 266 B D > - 0 0 68 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.397 24.4-129.7 -56.2 131.4 -7.7 33.0 -6.6 597 267 B P G >> S+ 0 0 94 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.783 107.5 68.5 -54.2 -28.9 -6.1 30.1 -4.5 598 268 B R G 34 S+ 0 0 127 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.847 93.3 58.0 -55.7 -37.5 -6.2 32.6 -1.6 599 269 B F G X> S+ 0 0 4 -3,-1.3 4,-1.9 1,-0.2 3,-0.8 0.691 88.9 77.1 -67.4 -24.4 -10.0 32.2 -1.6 600 270 B N H <> S+ 0 0 96 -3,-0.9 4,-0.8 -4,-0.5 3,-0.3 0.948 95.9 41.3 -51.9 -60.0 -10.0 28.4 -1.1 601 271 B D H 3< S+ 0 0 158 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.545 121.8 41.1 -70.8 -8.1 -9.2 28.3 2.6 602 272 B I H <4 S+ 0 0 56 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.682 97.9 64.3-117.8 -22.1 -11.5 31.2 3.6 603 273 B L H < S+ 0 0 0 -4,-1.9 -2,-0.1 -3,-0.3 -3,-0.1 0.909 70.4 161.1 -74.6 -42.9 -14.8 31.0 1.7 604 274 B G < - 0 0 38 -4,-0.8 2,-0.4 -5,-0.3 -1,-0.2 -0.291 50.6 -47.2 63.1-138.1 -15.8 27.7 3.3 605 275 B R + 0 0 226 -25,-0.0 2,-0.4 -24,-0.0 -1,-0.1 -0.978 59.7 169.0-140.4 120.6 -19.5 26.7 3.1 606 276 B H - 0 0 48 -2,-0.4 -25,-2.5 -30,-0.1 -24,-0.6 -0.980 25.7-130.7-136.7 143.7 -22.4 29.0 4.0 607 277 B S - 0 0 69 -2,-0.4 2,-0.5 -27,-0.2 -27,-0.4 -0.486 35.6 -99.2 -83.6 160.6 -26.1 28.8 3.6 608 278 B R - 0 0 150 -29,-0.2 -29,-0.2 -2,-0.2 2,-0.2 -0.725 44.5-139.3 -82.0 126.2 -28.2 31.6 2.1 609 279 B K - 0 0 42 -31,-2.7 2,-0.3 -2,-0.5 -31,-0.0 -0.501 10.0-115.4 -88.5 152.4 -29.8 33.6 5.0 610 280 B R > - 0 0 193 -2,-0.2 3,-1.7 1,-0.1 4,-0.1 -0.688 24.1-125.8 -81.0 139.2 -33.3 35.0 5.3 611 281 B W G > S+ 0 0 24 -2,-0.3 3,-2.4 1,-0.3 4,-0.3 0.810 100.3 80.4 -56.6 -29.1 -33.4 38.8 5.4 612 282 B E G > S+ 0 0 135 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.748 75.6 73.0 -49.1 -29.5 -35.4 38.6 8.7 613 283 B R G < S+ 0 0 166 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.572 97.7 48.0 -69.7 -6.0 -32.2 38.0 10.6 614 284 B F G < S+ 0 0 35 -3,-2.4 2,-0.6 -4,-0.1 -1,-0.3 0.374 90.3 99.6-109.6 -1.2 -31.2 41.7 10.2 615 285 B V < + 0 0 50 -3,-1.8 2,-0.2 -4,-0.3 -58,-0.1 -0.817 45.5 151.5 -89.1 116.1 -34.7 42.9 11.2 616 286 B H >> - 0 0 93 -2,-0.6 4,-1.3 -59,-0.1 3,-0.7 -0.724 60.1 -83.5-128.9-175.9 -34.8 44.2 14.8 617 287 B S T 34 S+ 0 0 85 1,-0.2 4,-0.3 -2,-0.2 -2,-0.0 0.774 122.5 55.4 -65.9 -31.4 -36.9 46.8 16.7 618 288 B E T 34 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.789 119.8 30.7 -68.4 -29.6 -34.8 49.8 15.7 619 289 B N T X> S+ 0 0 0 -3,-0.7 3,-2.1 1,-0.1 4,-0.6 0.477 88.7 103.0-111.0 -5.1 -35.1 49.1 11.9 620 290 B Q G >< S+ 0 0 124 -4,-1.3 3,-0.8 1,-0.3 -1,-0.1 0.771 74.7 59.9 -44.5 -41.2 -38.5 47.5 11.8 621 291 B H G 34 S+ 0 0 112 -4,-0.3 -161,-0.3 1,-0.2 -1,-0.3 0.496 106.5 46.1 -79.8 -3.0 -40.3 50.6 10.5 622 292 B L G <4 S+ 0 0 7 -3,-2.1 2,-0.4 -66,-0.3 -1,-0.2 0.470 97.3 83.0-111.1 -10.5 -38.1 50.8 7.3 623 293 B V << + 0 0 25 -3,-0.8 3,-0.1 -4,-0.6 -163,-0.0 -0.839 50.5 159.0-104.7 129.0 -38.3 47.1 6.3 624 294 B S > - 0 0 15 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.907 54.7-104.7-137.6 166.6 -41.3 45.7 4.4 625 295 B P H > S+ 0 0 105 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.917 123.9 53.2 -55.9 -43.5 -41.9 42.6 2.2 626 296 B E H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 27,-0.3 0.915 109.1 49.1 -55.4 -46.1 -41.7 44.9 -0.8 627 297 B A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.832 112.3 47.7 -64.9 -33.3 -38.4 46.3 0.4 628 298 B L H X S+ 0 0 37 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.865 111.0 49.7 -79.9 -34.5 -37.0 42.8 0.9 629 299 B D H X S+ 0 0 73 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.940 113.4 47.9 -63.0 -48.8 -38.2 41.5 -2.4 630 300 B F H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.919 111.8 48.1 -58.1 -49.8 -36.6 44.5 -4.2 631 301 B L H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.9 0.882 107.8 56.3 -62.5 -39.3 -33.2 44.2 -2.3 632 302 B D H 3< S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.2 52.7 -57.2 -39.9 -33.1 40.4 -3.1 633 303 B K H 3< S+ 0 0 65 -4,-1.5 10,-1.3 -3,-0.4 -1,-0.3 0.651 111.1 46.2 -75.1 -19.2 -33.4 41.2 -6.8 634 304 B L H << S+ 0 0 0 -3,-0.9 2,-1.6 -4,-0.8 -2,-0.2 0.867 101.9 66.3 -85.8 -40.9 -30.4 43.7 -6.6 635 305 B L < + 0 0 3 -4,-2.3 2,-0.4 -86,-0.1 -1,-0.2 -0.497 67.8 133.4 -90.7 74.4 -28.0 41.5 -4.7 636 306 B R - 0 0 87 -2,-1.6 6,-0.1 -3,-0.2 5,-0.1 -0.966 53.7-140.6-121.9 138.8 -27.2 38.6 -7.0 637 307 B Y S S+ 0 0 7 -2,-0.4 2,-0.8 1,-0.1 -106,-0.2 0.965 92.6 73.9 -57.1 -54.4 -23.7 37.2 -7.8 638 308 B D S > S- 0 0 24 1,-0.2 3,-1.8 -3,-0.1 4,-0.5 -0.499 75.0-156.5 -64.1 105.9 -24.7 36.7 -11.4 639 309 B H G > S+ 0 0 2 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.745 89.2 63.1 -57.5 -26.7 -24.6 40.2 -12.7 640 310 B Q G 3 S+ 0 0 60 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.666 99.5 54.2 -71.7 -19.0 -27.0 39.2 -15.5 641 311 B S G < S+ 0 0 61 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.537 84.8 102.7 -92.9 -10.0 -29.8 38.3 -13.1 642 312 B R S < S- 0 0 2 -3,-0.7 -8,-0.2 -4,-0.5 -9,-0.1 -0.424 82.8 -99.1 -72.8 147.7 -29.8 41.7 -11.2 643 313 B L - 0 0 26 -10,-1.3 2,-0.2 -13,-0.2 -1,-0.1 -0.297 34.5-122.7 -58.5 150.4 -32.6 44.1 -12.0 644 314 B T > - 0 0 20 1,-0.1 4,-2.9 -3,-0.1 5,-0.3 -0.559 29.9-104.3 -86.6 164.5 -31.8 46.9 -14.4 645 315 B A H > S+ 0 0 3 1,-0.2 4,-1.9 -2,-0.2 -170,-0.1 0.904 123.9 51.3 -54.6 -38.9 -32.3 50.5 -13.2 646 316 B R H 4 S+ 0 0 113 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.884 110.8 44.7 -65.7 -43.2 -35.5 50.5 -15.4 647 317 B E H >4 S+ 0 0 73 1,-0.2 3,-1.5 2,-0.2 4,-0.5 0.912 110.6 55.1 -70.9 -44.4 -37.0 47.3 -14.0 648 318 B A H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 6,-0.2 0.924 100.4 61.4 -48.8 -45.1 -36.1 48.4 -10.4 649 319 B M T 3< S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.707 104.4 48.3 -62.9 -19.2 -38.1 51.6 -11.1 650 320 B E T < S+ 0 0 122 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.416 82.8 120.5-103.7 3.3 -41.3 49.5 -11.7 651 321 B H S X S- 0 0 14 -3,-2.0 3,-2.1 -4,-0.5 4,-0.2 -0.329 77.5-111.9 -57.5 144.1 -41.0 47.3 -8.6 652 322 B P G > S+ 0 0 57 0, 0.0 3,-2.4 0, 0.0 4,-0.5 0.804 110.3 77.3 -48.0 -36.9 -44.0 47.5 -6.0 653 323 B Y G 3 S+ 0 0 0 -27,-0.3 3,-0.2 1,-0.3 4,-0.2 0.789 101.8 38.2 -44.4 -30.1 -41.6 49.2 -3.5 654 324 B F G <> S+ 0 0 1 -3,-2.1 4,-2.8 -6,-0.2 -1,-0.3 0.302 82.8 105.8-110.6 7.9 -42.0 52.5 -5.5 655 325 B Y H <> S+ 0 0 145 -3,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.893 84.1 48.0 -53.9 -41.2 -45.7 52.2 -6.4 656 326 B T H > S+ 0 0 69 -4,-0.5 4,-1.6 -3,-0.2 -1,-0.2 0.880 112.0 46.6 -75.2 -34.3 -46.6 54.8 -3.8 657 327 B V H > S+ 0 0 0 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.871 110.4 55.1 -71.7 -34.2 -43.8 57.3 -4.9 658 328 B V H < S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.933 108.6 47.0 -60.4 -47.5 -44.9 56.8 -8.6 659 329 B K H < S+ 0 0 181 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.883 109.3 55.8 -60.6 -38.9 -48.5 57.7 -7.8 660 330 B D H < 0 0 105 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.855 360.0 360.0 -65.9 -36.4 -47.2 60.8 -5.8 661 331 B Q < 0 0 113 -4,-2.0 -2,-0.2 -3,-0.1 -3,-0.2 0.872 360.0 360.0 -83.8 360.0 -45.3 62.0 -8.9