==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-SEP-09 3JUH . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.NIEFIND,O.-G.ISSINGER . 668 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 65.6 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 . 84 12.6 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 . 46 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 6 2 0 2 0 2 2 0 2 0 2 0 2 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 . 2 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 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 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 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.7 0.3 93.9 -6.7 2 3 A G - 0 0 46 1,-0.3 2,-0.1 260,-0.0 0, 0.0 0.230 360.0 -39.7 -76.1-148.5 -2.6 94.3 -4.4 3 4 A P S S- 0 0 74 0, 0.0 -1,-0.3 0, 0.0 258,-0.2 -0.442 74.7 -97.1 -66.4 156.0 -4.3 91.4 -2.7 4 5 A V - 0 0 62 256,-2.4 2,-0.1 1,-0.1 256,-0.0 -0.440 46.0-104.7 -73.2 143.0 -4.7 88.2 -4.9 5 6 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.315 32.7-165.1 -69.3 162.5 -8.2 87.7 -6.5 6 7 A S - 0 0 4 202,-0.1 178,-0.6 -2,-0.1 2,-0.3 -0.987 10.6-177.2-144.3 141.1 -10.9 85.4 -5.5 7 8 A R - 0 0 131 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.986 43.1 -90.8-136.8 142.6 -14.0 84.0 -7.1 8 9 A A - 0 0 5 -2,-0.3 4,-0.1 4,-0.2 301,-0.1 -0.125 20.8-140.5 -53.5 136.4 -16.5 81.7 -5.4 9 10 A R S S+ 0 0 112 2,-0.1 2,-0.3 1,-0.1 3,-0.1 0.741 88.0 39.0 -59.4 -37.4 -15.9 77.9 -5.8 10 11 A V S S+ 0 0 24 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.929 121.8 5.8-120.0 148.0 -19.8 77.4 -6.2 11 12 A Y S > S+ 0 0 13 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 0.848 77.6 158.8 55.6 40.1 -22.6 79.3 -7.8 12 13 A T T 3 + 0 0 24 1,-0.2 3,-0.2 -3,-0.1 -4,-0.2 0.911 69.8 20.4 -69.3 -42.7 -19.9 81.7 -9.3 13 14 A D T 3> S+ 0 0 45 1,-0.1 4,-2.0 652,-0.1 3,-0.3 0.112 82.5 119.9-116.7 17.4 -21.8 83.2 -12.2 14 15 A V H <> S+ 0 0 1 -3,-0.6 4,-0.8 1,-0.3 654,-0.2 0.857 82.8 45.1 -58.5 -38.2 -25.5 82.5 -11.2 15 16 A N H 4 S+ 0 0 1 166,-0.4 3,-0.3 -4,-0.3 -1,-0.3 0.837 110.2 56.3 -69.3 -35.4 -26.2 86.2 -11.3 16 17 A T H 4 S+ 0 0 87 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 105.2 51.0 -58.7 -40.2 -24.4 86.5 -14.5 17 18 A H H < S+ 0 0 43 -4,-2.0 652,-1.3 2,-0.1 -1,-0.2 0.694 102.6 75.5 -78.2 -19.3 -26.5 83.9 -16.2 18 19 A R S < S- 0 0 25 -4,-0.8 5,-0.1 -3,-0.3 2,-0.0 -0.399 97.1 -86.2 -83.5 160.9 -29.7 85.7 -15.1 19 20 A P >> - 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.367 41.7-107.9 -67.2 158.7 -31.2 88.9 -16.6 20 21 A R H >> S+ 0 0 133 1,-0.3 4,-2.2 2,-0.2 3,-1.5 0.865 114.9 61.3 -51.8 -45.5 -29.9 92.2 -15.2 21 22 A E H 34 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.600 88.2 71.6 -66.0 -17.9 -33.1 92.9 -13.4 22 23 A Y H <4 S+ 0 0 16 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.929 120.4 14.2 -58.9 -46.8 -32.8 89.9 -11.1 23 24 A W H << S+ 0 0 77 -3,-1.5 2,-2.4 -4,-0.6 -2,-0.2 0.637 100.9 93.0-109.0 -18.2 -29.9 91.5 -9.3 24 25 A D >< + 0 0 40 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 -0.441 50.1 164.0 -78.2 72.1 -30.0 95.2 -10.3 25 26 A Y G > + 0 0 19 -2,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.764 59.1 71.8 -73.5 -29.2 -32.2 96.0 -7.2 26 27 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.795 98.9 53.6 -51.9 -32.2 -31.7 99.8 -7.3 27 28 A S G < S+ 0 0 71 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.688 83.1 117.0 -76.3 -17.7 -34.0 99.7 -10.4 28 29 A H < - 0 0 39 -3,-1.5 2,-0.6 -4,-0.3 50,-0.1 -0.129 54.0-151.6 -57.2 143.4 -36.7 97.8 -8.6 29 30 A V - 0 0 120 49,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.944 16.4-135.9-114.8 107.2 -40.1 99.6 -8.3 30 31 A V - 0 0 16 -2,-0.6 2,-0.6 1,-0.1 48,-0.0 -0.390 6.3-140.5 -55.0 130.6 -42.0 98.5 -5.2 31 32 A E - 0 0 77 364,-0.1 68,-0.3 -2,-0.1 2,-0.2 -0.881 24.2-138.9 -85.7 113.8 -45.8 97.8 -5.7 32 33 A W - 0 0 91 -2,-0.6 68,-0.2 1,-0.1 2,-0.1 -0.556 15.6-145.7 -77.8 142.7 -47.5 99.1 -2.5 33 34 A G - 0 0 15 66,-2.1 2,-0.7 -2,-0.2 68,-0.2 -0.232 33.8 -72.0 -89.0-173.4 -50.3 97.2 -0.9 34 35 A N > - 0 0 68 1,-0.2 3,-1.2 -2,-0.1 4,-0.2 -0.753 37.1-166.0 -84.0 110.0 -53.4 98.1 1.0 35 36 A Q G > S+ 0 0 62 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.887 87.6 59.9 -70.4 -37.3 -52.4 99.4 4.4 36 37 A D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.364 91.6 74.9 -67.4 2.5 -56.0 99.1 5.8 37 38 A D G < S+ 0 0 25 -3,-1.2 21,-2.1 1,-0.1 2,-0.4 0.563 93.1 52.9 -91.6 -11.3 -55.7 95.4 5.1 38 39 A Y E < -A 57 0A 34 -3,-1.6 2,-0.5 19,-0.2 19,-0.2 -0.980 63.8-170.1-124.9 127.4 -53.4 94.7 8.0 39 40 A Q E -A 56 0A 117 17,-2.1 17,-2.3 -2,-0.4 2,-0.2 -0.962 25.7-122.6-116.7 132.2 -54.1 95.6 11.6 40 41 A L E -A 55 0A 81 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.468 24.7-177.3 -72.5 136.1 -51.4 95.2 14.2 41 42 A V E - 0 0 76 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.838 59.8 -26.5 -97.3 -54.1 -52.2 93.0 17.2 42 43 A R E -A 54 0A 128 12,-1.2 12,-2.7 0, 0.0 2,-0.4 -0.978 65.7 -89.9-160.2 164.8 -49.1 93.2 19.5 43 44 A K E -A 53 0A 104 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.716 27.3-173.8 -85.0 127.7 -45.4 93.9 19.5 44 45 A L E - 0 0 41 8,-2.4 2,-0.3 -2,-0.4 9,-0.2 0.522 56.5 -81.2 -99.4 -11.6 -43.2 90.7 19.1 45 46 A G E -A 52 0A 30 7,-1.1 7,-1.5 2,-0.0 -1,-0.3 -0.982 46.3-115.4 146.7-147.3 -39.9 92.5 19.7 46 47 A R E -A 51 0A 148 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.960 10.4-149.6-168.9-179.7 -37.4 94.6 17.7 47 48 A G - 0 0 30 3,-2.4 3,-0.3 -2,-0.3 -2,-0.0 -0.823 48.3 -79.7-151.3-168.5 -34.0 94.9 16.2 48 49 A K S S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.759 129.6 24.0 -73.5 -21.8 -31.5 97.6 15.4 49 50 A Y S S+ 0 0 102 1,-0.1 21,-1.3 20,-0.0 2,-0.3 0.181 121.2 36.7-131.7 18.6 -33.4 98.4 12.2 50 51 A S E - B 0 69A 8 -3,-0.3 -3,-2.4 19,-0.2 2,-0.5 -0.997 55.0-136.2-165.4 159.8 -37.0 97.3 12.7 51 52 A E E -AB 46 68A 38 17,-1.8 17,-3.3 -2,-0.3 2,-0.4 -0.983 28.5-152.2-115.3 131.2 -40.0 96.9 15.0 52 53 A V E +AB 45 67A 41 -7,-1.5 -8,-2.4 -2,-0.5 -7,-1.1 -0.943 16.7 178.7-115.0 134.8 -41.7 93.6 14.6 53 54 A F E -AB 43 66A 36 13,-2.6 13,-2.8 -2,-0.4 2,-0.3 -0.971 31.0-123.5-134.2 141.0 -45.5 93.1 15.3 54 55 A E E +AB 42 65A 17 -12,-2.7 -13,-3.2 -2,-0.3 -12,-1.2 -0.633 45.8 168.3 -74.1 141.2 -48.0 90.3 15.1 55 56 A A E -AB 40 64A 0 9,-2.1 9,-2.7 -15,-0.3 2,-0.4 -0.927 29.2-121.4-150.4 174.5 -50.9 91.4 12.8 56 57 A I E -AB 39 63A 39 -17,-2.3 -17,-2.1 -2,-0.3 2,-0.8 -0.952 13.4-134.9-128.6 139.9 -53.9 90.2 11.0 57 58 A N E >>> -AB 38 62A 19 5,-2.8 5,-0.9 -2,-0.4 3,-0.9 -0.905 23.3-162.3 -90.0 108.5 -54.9 90.2 7.4 58 59 A I T 345S+ 0 0 63 -21,-2.1 -1,-0.1 -2,-0.8 -20,-0.1 0.761 76.6 70.2 -72.4 -29.8 -58.5 91.4 7.6 59 60 A T T 345S+ 0 0 31 -22,-0.4 -1,-0.2 1,-0.2 310,-0.1 0.727 128.1 5.7 -64.8 -22.2 -59.8 90.3 4.2 60 61 A N T <45S- 0 0 14 -3,-0.9 -1,-0.2 308,-0.2 -2,-0.2 0.202 100.0-116.1-136.6 9.7 -59.5 86.6 5.3 61 62 A N T <5 + 0 0 112 -4,-0.8 2,-0.2 1,-0.2 -3,-0.2 0.693 57.7 160.4 54.2 30.5 -58.5 86.9 9.0 62 63 A E E < -B 57 0A 79 -5,-0.9 -5,-2.8 1,-0.1 2,-0.4 -0.556 42.1-115.3 -79.8 142.8 -55.1 85.2 8.4 63 64 A K E +B 56 0A 111 -2,-0.2 51,-0.7 -7,-0.2 2,-0.2 -0.576 43.9 168.3 -81.0 127.4 -52.3 85.7 10.9 64 65 A V E -BC 55 113A 5 -9,-2.7 -9,-2.1 -2,-0.4 2,-0.3 -0.757 32.1-122.5-126.0 179.0 -49.2 87.5 9.7 65 66 A A E -BC 54 112A 12 47,-2.7 47,-3.2 -2,-0.2 2,-0.5 -0.950 21.1-160.6-118.0 145.4 -46.0 89.2 10.9 66 67 A V E -BC 53 111A 5 -13,-2.8 -13,-2.6 -2,-0.3 2,-0.6 -0.979 4.6-166.2-135.3 117.6 -45.2 92.9 10.1 67 68 A K E -BC 52 110A 19 43,-2.9 43,-2.8 -2,-0.5 2,-0.7 -0.942 10.2-156.7-105.4 114.6 -41.7 94.3 10.3 68 69 A I E -BC 51 109A 19 -17,-3.3 -17,-1.8 -2,-0.6 41,-0.2 -0.842 15.0-140.1 -96.8 114.5 -41.8 98.1 10.2 69 70 A L E -B 50 0A 7 39,-2.2 -19,-0.2 -2,-0.7 33,-0.1 -0.504 9.9-130.6 -73.6 133.6 -38.5 99.4 8.9 70 71 A K - 0 0 103 -21,-1.3 -1,-0.0 -2,-0.2 -22,-0.0 -0.502 51.3 -69.2 -67.6 156.8 -37.0 102.5 10.7 71 72 A P S S+ 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.000 73.8 136.2 -46.6 159.4 -35.9 105.2 8.2 72 73 A V - 0 0 77 -3,-0.1 5,-0.1 0, 0.0 -3,-0.0 -0.807 57.7 -53.7 155.0 150.5 -32.9 104.4 6.0 73 74 A K >> - 0 0 161 -2,-0.2 4,-1.2 1,-0.1 3,-0.6 -0.031 39.8-129.3 -57.7 154.1 -31.8 104.8 2.4 74 75 A K H 3> S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.744 103.4 72.3 -79.7 -23.2 -34.0 103.4 -0.4 75 76 A K H 3> S+ 0 0 105 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.875 104.0 39.1 -50.4 -46.7 -31.0 101.7 -1.9 76 77 A K H <> S+ 0 0 44 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.814 112.3 55.9 -77.2 -37.0 -31.1 99.1 1.1 77 78 A I H X S+ 0 0 11 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.942 110.9 44.3 -60.1 -48.2 -34.8 98.9 1.2 78 79 A K H X S+ 0 0 24 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.827 112.3 54.4 -63.9 -35.0 -34.9 97.9 -2.4 79 80 A R H X S+ 0 0 32 -4,-1.1 4,-2.3 -5,-0.2 5,-0.2 0.966 112.7 40.9 -65.6 -53.6 -32.0 95.5 -1.8 80 81 A E H X S+ 0 0 2 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.920 117.4 49.5 -61.6 -42.2 -33.7 93.6 1.0 81 82 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.962 112.1 46.7 -59.4 -50.1 -37.1 93.7 -0.8 82 83 A K H X S+ 0 0 21 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.910 113.0 49.3 -61.1 -43.1 -35.6 92.4 -4.1 83 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.940 111.9 48.3 -59.6 -49.8 -33.7 89.6 -2.3 84 85 A L H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 12,-0.3 0.892 112.9 48.9 -63.2 -38.3 -36.7 88.5 -0.4 85 86 A E H < S+ 0 0 42 -4,-2.8 3,-0.5 -5,-0.2 -1,-0.2 0.927 110.9 49.8 -61.6 -48.7 -38.7 88.5 -3.6 86 87 A N H < S+ 0 0 21 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.848 114.4 44.8 -56.3 -39.6 -36.1 86.5 -5.4 87 88 A L H >< S+ 0 0 1 -4,-2.3 3,-2.9 -5,-0.1 -1,-0.2 0.588 79.4 125.6 -84.1 -14.3 -35.9 83.9 -2.5 88 89 A R T 3< S+ 0 0 102 -4,-1.0 7,-0.1 -3,-0.5 6,-0.1 -0.221 75.2 28.9 -51.0 131.3 -39.7 83.4 -2.0 89 90 A G T 3 S+ 0 0 31 1,-0.4 338,-0.3 4,-0.3 -1,-0.3 0.092 92.0 128.7 100.6 -16.0 -40.5 79.8 -2.3 90 91 A G S X S- 0 0 5 -3,-2.9 3,-1.4 1,-0.1 -1,-0.4 -0.345 70.7 -86.7 -80.7 152.1 -37.1 78.6 -1.1 91 92 A P T 3 S- 0 0 29 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.308 102.7 -10.0 -54.5 123.9 -36.7 76.1 1.7 92 93 A N T 3 S+ 0 0 14 332,-0.3 80,-2.8 1,-0.2 2,-0.4 0.719 97.0 126.8 63.1 23.1 -36.7 77.6 5.2 93 94 A I B < -e 172 0B 5 -3,-1.4 -4,-0.3 78,-0.2 -1,-0.2 -0.962 69.9 -99.7-113.3 142.7 -36.5 81.2 4.2 94 95 A I - 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0 0 88 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.967 53.0-131.5-129.9 119.4 -20.0 78.3 24.9 229 230 A E S S+ 0 0 117 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.938 91.3 7.1-124.4 116.0 -21.8 81.4 23.8 230 231 A P S S- 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.800 80.2-151.2 -76.0 174.5 -20.4 82.8 21.7 231 232 A F S S+ 0 0 10 -12,-0.3 2,-0.8 1,-0.3 -2,-0.1 0.959 92.1 37.4 -75.4 -47.9 -17.6 80.4 20.9 232 233 A F S S- 0 0 2 -37,-0.4 2,-1.0 -4,-0.1 -1,-0.3 -0.887 80.0-169.6-103.1 105.4 -15.1 83.0 19.7 233 234 A H + 0 0 64 -2,-0.8 2,-0.2 -3,-0.2 7,-0.1 -0.523 7.8 179.4-104.8 72.1 -15.7 85.9 22.1 234 235 A G - 0 0 0 -2,-1.0 6,-0.1 1,-0.1 3,-0.1 -0.472 23.7-154.8 -76.6 138.7 -13.8 88.9 20.7 235 236 A H S S+ 0 0 121 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.558 80.5 2.7 -90.0 -12.3 -14.0 92.1 22.6 236 237 A D S > S- 0 0 79 1,-0.1 4,-1.8 -42,-0.1 -1,-0.1 -0.920 92.7 -83.7-158.0 177.3 -13.3 94.2 19.5 237 238 A N H > S+ 0 0 61 -2,-0.3 4,-1.0 1,-0.2 3,-0.3 0.942 126.8 43.7 -59.8 -50.0 -12.6 93.6 15.9 238 239 A Y H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.897 111.7 54.9 -61.1 -37.8 -8.9 92.7 16.2 239 240 A D H > S+ 0 0 36 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.790 97.2 65.5 -69.3 -25.9 -9.6 90.6 19.3 240 241 A Q H X S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.3 0.952 105.2 42.8 -61.7 -43.2 -12.1 88.6 17.3 241 242 A L H X S+ 0 0 1 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.868 111.7 55.7 -71.6 -32.5 -9.2 87.3 15.1 242 243 A V H X S+ 0 0 9 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.891 106.6 50.1 -64.1 -41.1 -7.0 86.8 18.2 243 244 A R H X S+ 0 0 76 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.911 111.4 48.0 -64.6 -42.2 -9.6 84.5 19.7 244 245 A I H >X S+ 0 0 0 -4,-1.8 4,-3.2 -5,-0.2 3,-0.9 0.900 110.8 51.6 -60.1 -45.9 -9.9 82.5 16.6 245 246 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.3 -2,-0.2 0.834 101.6 61.3 -63.8 -30.3 -6.1 82.2 16.4 246 247 A K H 3< S+ 0 0 103 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.687 119.0 27.9 -69.6 -23.3 -6.0 81.0 20.0 247 248 A V H << S+ 0 0 14 -3,-0.9 31,-3.5 -4,-0.6 -2,-0.2 0.813 129.8 35.4 -97.3 -58.3 -8.1 78.0 18.8 248 249 A L H < S- 0 0 1 -4,-3.2 4,-0.3 29,-0.2 29,-0.3 0.500 109.0-122.3 -84.1 -1.8 -7.2 77.4 15.2 249 250 A G < - 0 0 3 -4,-1.5 4,-0.4 27,-0.4 27,-0.2 0.126 10.3-103.0 82.6 159.9 -3.6 78.4 15.5 250 251 A T S > S+ 0 0 4 25,-2.9 4,-3.1 2,-0.1 5,-0.3 0.731 103.4 75.3 -93.4 -29.5 -1.5 81.1 13.8 251 252 A E H > S+ 0 0 140 24,-0.5 4,-1.9 1,-0.2 5,-0.1 0.948 103.9 40.9 -46.2 -50.1 0.5 79.0 11.2 252 253 A D H > S+ 0 0 66 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.843 112.6 56.1 -69.1 -31.0 -2.6 78.6 9.0 253 254 A L H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.955 111.0 43.0 -63.5 -46.0 -3.7 82.2 9.6 254 255 A Y H X S+ 0 0 31 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.799 112.0 53.8 -72.9 -27.5 -0.3 83.4 8.4 255 256 A D H X S+ 0 0 91 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.907 109.1 50.6 -67.7 -39.8 -0.5 81.0 5.5 256 257 A Y H >X S+ 0 0 7 -4,-2.8 4,-1.4 2,-0.2 3,-0.6 0.958 109.2 49.4 -56.8 -57.3 -3.9 82.4 4.5 257 258 A I H ><>S+ 0 0 16 -4,-2.5 5,-2.0 1,-0.2 3,-0.7 0.949 114.6 44.2 -49.5 -49.7 -2.7 86.0 4.6 258 259 A D H 3<5S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.637 107.1 62.8 -77.1 -9.9 0.3 85.1 2.3 259 260 A K H <<5S+ 0 0 87 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.856 117.1 27.1 -68.7 -39.0 -2.0 83.1 0.1 260 261 A Y T <<5S- 0 0 1 -4,-1.4 -256,-2.4 -3,-0.7 -2,-0.2 0.175 106.4-122.6-109.9 11.8 -4.0 86.1 -0.8 261 262 A N T 5 + 0 0 80 -4,-0.3 2,-0.2 -258,-0.2 -3,-0.2 0.903 47.4 178.5 41.5 50.8 -1.1 88.6 -0.3 262 263 A I < - 0 0 18 -5,-2.0 2,-0.8 -6,-0.2 -1,-0.1 -0.593 28.6-125.8 -82.5 147.3 -3.3 90.5 2.3 263 264 A E - 0 0 171 -2,-0.2 2,-0.3 -60,-0.2 -1,-0.0 -0.843 28.8-170.4 -97.6 108.3 -1.8 93.6 4.0 264 265 A L - 0 0 20 -2,-0.8 -61,-0.1 1,-0.1 5,-0.1 -0.755 35.1 -99.3-101.9 141.4 -2.0 93.3 7.7 265 266 A D > - 0 0 86 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.475 30.0-140.3 -49.8 118.1 -1.2 96.1 10.1 266 267 A P H > S+ 0 0 77 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.882 103.0 53.2 -50.3 -41.8 2.3 95.4 11.3 267 268 A R H > S+ 0 0 191 1,-0.3 4,-1.1 2,-0.2 -2,-0.1 0.823 107.8 50.1 -71.2 -30.4 1.4 96.4 14.8 268 269 A F H > S+ 0 0 12 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.797 103.3 60.4 -76.6 -32.2 -1.5 94.0 14.8 269 270 A N H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.897 102.3 52.9 -51.9 -47.9 0.8 91.3 13.6 270 271 A D H < S+ 0 0 134 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 107.1 53.1 -59.8 -38.4 2.8 91.8 16.8 271 272 A I H < S+ 0 0 121 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.911 106.7 50.5 -66.0 -42.0 -0.5 91.4 18.8 272 273 A L H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.955 81.0 163.9 -63.5 -48.3 -1.4 88.1 17.2 273 274 A G < - 0 0 27 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.1 -0.433 52.2 -41.7 66.5-141.3 2.0 86.5 17.8 274 275 A R + 0 0 180 -2,-0.1 2,-0.4 -24,-0.0 -1,-0.0 -0.997 56.7 177.2-130.5 127.2 2.2 82.6 17.5 275 276 A H - 0 0 55 -2,-0.4 -25,-2.9 -30,-0.1 -24,-0.5 -0.999 26.6-127.2-128.4 128.7 -0.5 80.3 18.8 276 277 A S - 0 0 88 -2,-0.4 -27,-0.4 -27,-0.2 2,-0.3 -0.457 36.2 -99.7 -68.4 145.3 -0.5 76.5 18.5 277 278 A R - 0 0 93 -29,-0.3 2,-0.4 -2,-0.1 -29,-0.2 -0.541 36.7-140.9 -66.4 121.4 -3.7 74.9 17.0 278 279 A K - 0 0 65 -31,-3.5 2,-0.2 -2,-0.3 -1,-0.0 -0.697 19.9-115.7 -84.7 136.4 -5.8 73.5 19.8 279 280 A R > - 0 0 199 -2,-0.4 3,-2.8 1,-0.1 4,-0.2 -0.576 26.7-116.0 -66.5 139.2 -7.4 70.2 19.0 280 281 A W G > S+ 0 0 16 1,-0.3 3,-1.3 -2,-0.2 4,-0.3 0.738 110.9 73.9 -54.4 -24.3 -11.2 70.6 19.0 281 282 A E G > S+ 0 0 94 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.678 73.7 80.7 -66.1 -15.5 -11.2 68.2 22.0 282 283 A R G < S+ 0 0 180 -3,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.783 91.7 50.7 -57.0 -31.0 -9.9 70.9 24.4 283 284 A F G < S+ 0 0 18 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.482 82.5 111.3 -94.1 -1.9 -13.4 72.5 24.7 284 285 A V < + 0 0 44 -3,-1.1 2,-0.2 -4,-0.3 -58,-0.1 -0.554 42.0 166.1 -70.0 128.8 -15.1 69.2 25.6 285 286 A H >> - 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0 0 74 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.990 58.5-135.6-122.3 138.7 -11.0 77.2 8.2 306 307 A Y S S+ 0 0 5 -2,-0.4 2,-0.8 -58,-0.1 -106,-0.2 0.890 88.8 77.8 -56.8 -43.8 -9.3 80.5 7.6 307 308 A D S >> S- 0 0 34 1,-0.2 3,-2.0 -3,-0.1 4,-0.9 -0.553 70.0-155.7 -74.1 107.2 -9.2 80.0 3.7 308 309 A H G >4 S+ 0 0 1 -2,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.864 93.6 57.5 -51.9 -36.5 -12.7 80.9 2.6 309 310 A Q G 34 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.680 103.5 55.2 -69.2 -17.4 -12.1 78.8 -0.6 310 311 A S G <4 S+ 0 0 58 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.659 84.1 102.3 -86.5 -21.0 -11.3 75.6 1.6 311 312 A R S << S- 0 0 2 -4,-0.9 -8,-0.2 -3,-0.8 -9,-0.1 -0.296 84.5 -95.3 -70.8 147.8 -14.5 75.6 3.6 312 313 A L - 0 0 26 -10,-2.0 -1,-0.1 -13,-0.2 2,-0.1 -0.321 36.3-125.3 -52.6 139.6 -17.3 73.2 2.8 313 314 A T > - 0 0 13 -3,-0.1 4,-3.5 1,-0.1 5,-0.2 -0.369 30.8-103.3 -70.4 166.5 -20.0 74.5 0.5 314 315 A A H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.942 125.0 48.1 -64.5 -41.3 -23.6 74.2 1.8 315 316 A R H > S+ 0 0 33 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.916 112.5 46.1 -63.8 -45.0 -24.2 71.3 -0.5 316 317 A E H >4 S+ 0 0 60 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.933 113.3 52.3 -66.4 -39.8 -20.9 69.5 0.6 317 318 A A H >< S+ 0 0 0 -4,-3.5 3,-1.6 1,-0.2 6,-0.3 0.906 103.8 56.0 -59.4 -44.9 -21.9 70.3 4.2 318 319 A M H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 107.8 49.4 -55.5 -29.8 -25.3 68.7 3.6 319 320 A E T << S+ 0 0 100 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.450 85.6 115.9 -86.9 -7.5 -23.5 65.4 2.5 320 321 A H S X S- 0 0 12 -3,-1.6 3,-2.5 -4,-0.4 4,-0.1 -0.406 77.3-119.6 -67.4 144.2 -21.2 65.3 5.6 321 322 A P G > S+ 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.697 105.1 81.9 -69.2 -7.9 -21.8 62.4 7.8 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 4,-0.3 1,-0.3 3,-0.2 0.875 102.5 41.1 -53.4 -26.9 -22.7 64.6 10.8 323 324 A F G <> S+ 0 0 3 -3,-2.5 4,-1.6 -6,-0.3 -1,-0.3 0.190 82.7 110.5-104.9 15.6 -26.2 64.5 8.9 324 325 A Y T <4 S+ 0 0 152 -3,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.960 88.5 25.8 -59.6 -55.8 -26.2 60.9 7.9 325 326 A T T >4 S+ 0 0 84 -4,-0.4 3,-2.6 -3,-0.2 -1,-0.2 0.918 115.1 61.7 -76.0 -42.3 -29.0 59.7 10.2 326 327 A V G >4 S+ 0 0 6 1,-0.3 3,-1.8 -4,-0.3 -1,-0.2 0.802 91.6 67.0 -64.2 -24.8 -30.9 63.0 10.7 327 328 A V G 3< S+ 0 0 18 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.765 96.7 58.4 -61.3 -20.4 -31.7 63.1 7.0 328 329 A K G < S+ 0 0 88 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.158 78.6 152.9 -89.5 9.3 -33.8 60.0 7.7 329 330 A D < - 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0 0 123 -2,-0.4 4,-1.6 -59,-0.0 3,-1.5 -0.914 54.6 -85.8-144.4 165.7 -33.3 52.3 -29.5 621 287 B S T 34 S+ 0 0 79 -2,-0.3 4,-0.3 1,-0.3 3,-0.1 0.782 124.5 48.6 -47.6 -36.2 -31.1 54.8 -31.3 622 288 B E T 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.790 119.8 34.3 -80.0 -26.1 -33.3 57.8 -30.3 623 289 B N T X4 S+ 0 0 7 -3,-1.5 3,-1.4 -62,-0.1 4,-0.3 0.494 89.9 93.4-103.8 -4.2 -33.6 57.0 -26.6 624 290 B Q G >< S+ 0 0 113 -4,-1.6 3,-1.6 1,-0.3 -2,-0.1 0.852 77.1 62.4 -59.2 -35.9 -30.1 55.4 -25.8 625 291 B H G 3 S+ 0 0 89 -4,-0.3 -1,-0.3 1,-0.3 -161,-0.1 0.687 103.9 51.0 -64.4 -22.1 -28.5 58.7 -24.7 626 292 B L G < S+ 0 0 0 -3,-1.4 2,-0.4 -66,-0.3 -1,-0.3 0.433 94.8 82.9 -91.5 -4.5 -31.0 58.9 -21.8 627 293 B V < + 0 0 26 -3,-1.6 3,-0.1 -4,-0.3 -163,-0.0 -0.784 53.3 162.3-104.8 140.0 -30.5 55.4 -20.5 628 294 B S > - 0 0 18 -2,-0.4 4,-1.9 1,-0.1 5,-0.3 -0.977 53.5 -99.1-145.3 163.9 -27.5 54.7 -18.1 629 295 B P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.931 124.4 46.9 -52.0 -45.9 -26.7 51.9 -15.7 630 296 B E H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 27,-0.3 0.818 106.6 57.0 -67.7 -31.5 -27.9 54.0 -12.7 631 297 B A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.8 44.3 -60.4 -47.0 -31.1 55.0 -14.5 632 298 B L H X S+ 0 0 23 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.863 112.4 51.5 -66.4 -42.7 -32.0 51.3 -14.9 633 299 B D H X S+ 0 0 67 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.902 113.5 46.3 -57.8 -44.3 -31.0 50.5 -11.3 634 300 B F H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 3,-0.4 0.912 111.8 48.4 -66.9 -43.5 -33.2 53.3 -10.2 635 301 B L H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-1.0 0.969 110.0 53.7 -64.0 -45.8 -36.1 52.3 -12.3 636 302 B D H 3< S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.727 108.4 51.2 -54.8 -29.8 -35.8 48.7 -11.1 637 303 B K H 3< S+ 0 0 61 -4,-1.0 10,-1.8 -3,-0.4 -1,-0.2 0.618 114.0 41.6 -90.1 -14.7 -35.9 50.0 -7.5 638 304 B L H << S+ 0 0 0 -4,-1.3 2,-1.8 -3,-1.0 -2,-0.2 0.812 105.0 64.8 -87.5 -43.2 -39.1 52.0 -8.0 639 305 B L < + 0 0 2 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.481 69.9 142.1 -86.4 61.1 -41.1 49.5 -10.1 640 306 B R - 0 0 96 -2,-1.8 6,-0.1 -3,-0.2 -3,-0.1 -0.884 51.2-143.8 -99.0 139.6 -41.4 46.8 -7.5 641 307 B Y S S+ 0 0 8 -2,-0.5 2,-0.7 1,-0.1 -106,-0.2 0.967 90.8 71.5 -59.8 -54.5 -44.5 44.9 -7.4 642 308 B D S >> S- 0 0 21 1,-0.2 3,-1.8 -3,-0.1 4,-0.5 -0.610 74.2-156.2 -71.2 118.7 -44.2 44.8 -3.6 643 309 B H T 34 S+ 0 0 2 -2,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.709 90.3 59.6 -69.9 -30.2 -44.9 48.2 -2.4 644 310 B Q T 34 S+ 0 0 70 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.660 103.2 53.3 -68.2 -21.2 -42.9 47.7 0.8 645 311 B S T <4 S+ 0 0 49 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.566 86.1 105.5 -98.5 -5.2 -39.8 47.0 -1.2 646 312 B R S < S- 0 0 3 -4,-0.5 -8,-0.2 -3,-0.5 -9,-0.1 -0.318 83.6 -93.3 -68.7 151.9 -39.9 50.2 -3.3 647 313 B L - 0 0 22 -10,-1.8 2,-0.1 -13,-0.2 -1,-0.1 -0.349 36.3-128.3 -58.3 144.4 -37.6 53.1 -2.6 648 314 B T > - 0 0 18 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.436 32.6-100.9 -77.9 168.4 -38.9 55.7 -0.2 649 315 B A H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -170,-0.2 0.896 125.2 45.9 -61.4 -38.7 -38.6 59.3 -1.4 650 316 B R H > S+ 0 0 39 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.930 111.6 50.3 -76.7 -36.8 -35.5 59.9 0.7 651 317 B E H 4 S+ 0 0 75 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.867 110.7 51.7 -63.8 -36.3 -33.9 56.6 -0.4 652 318 B A H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 6,-0.2 0.927 104.6 55.4 -58.8 -44.9 -34.6 57.7 -4.0 653 319 B M H 3< S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.717 105.7 53.9 -64.9 -21.8 -32.9 61.0 -3.3 654 320 B E T 3< S+ 0 0 101 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.379 83.7 118.6 -93.0 2.7 -29.8 59.1 -2.2 655 321 B H S X S- 0 0 14 -3,-2.2 3,-2.4 1,-0.1 4,-0.3 -0.436 74.3-122.5 -73.8 140.2 -29.7 57.0 -5.4 656 322 B P G > S+ 0 0 80 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.756 105.8 78.1 -53.3 -23.8 -26.5 57.3 -7.7 657 323 B Y G 3 S+ 0 0 0 -27,-0.3 4,-0.2 1,-0.3 3,-0.2 0.820 103.2 36.8 -54.2 -24.8 -28.9 58.4 -10.5 658 324 B F G <> S+ 0 0 1 -3,-2.4 4,-2.1 -6,-0.2 -1,-0.3 0.405 85.0 110.9-107.8 4.0 -28.9 61.8 -8.8 659 325 B Y T <4 S+ 0 0 151 -3,-1.7 4,-0.2 1,-0.3 -1,-0.1 0.830 88.3 29.0 -55.3 -49.2 -25.3 61.9 -7.6 660 326 B T T >4 S+ 0 0 95 -4,-0.4 3,-1.7 -3,-0.2 -1,-0.3 0.834 113.6 61.6 -80.4 -42.0 -24.1 64.6 -10.0 661 327 B V G >4 S+ 0 0 5 1,-0.3 3,-1.7 -4,-0.2 -2,-0.2 0.768 92.4 65.5 -64.4 -23.3 -27.3 66.6 -10.4 662 328 B V G 3< S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.782 96.6 59.6 -64.1 -24.3 -27.5 67.4 -6.7 663 329 B K G < S+ 0 0 68 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.227 79.4 150.5 -85.4 10.7 -24.3 69.4 -7.4 664 330 B D < - 0 0 27 -3,-1.7 -3,-0.1 1,-0.1 -516,-0.0 -0.158 42.4-146.8 -48.0 134.7 -26.3 71.6 -10.0 665 331 B Q - 0 0 77 -655,-0.1 -652,-0.1 2,-0.0 -1,-0.1 0.112 31.7-118.7-102.3 16.9 -24.9 75.1 -10.2 666 332 B A + 0 0 9 1,-0.2 2,-0.2 2,-0.0 -649,-0.1 0.695 45.8 173.7 60.9 31.9 -28.2 76.9 -10.9 667 333 B R + 0 0 135 1,-0.2 -1,-0.2 -650,-0.0 -653,-0.1 -0.470 13.3 172.3 -65.4 134.2 -27.4 78.3 -14.3 668 334 B M 0 0 45 -654,-0.2 -650,-0.2 -2,-0.2 -1,-0.2 0.722 360.0 360.0-101.9 -74.8 -30.3 80.1 -16.1 669 335 B G 0 0 83 -652,-1.3 -2,-0.0 -655,-0.2 -168,-0.0 -0.166 360.0 360.0-112.3 360.0 -28.8 81.7 -19.2