==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-APR-11 3RNI . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.9 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 . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 24.1 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+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 1 1 0 2 0 0 1 0 1 0 0 0 1 0 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 3 1 0 0 2 1 0 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 0 128 0, 0.0 3,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.1 -52.6 129.5 83.4 2 2 A E + 0 0 144 1,-0.2 3,-0.1 3,-0.1 4,-0.0 0.447 360.0 65.9 -89.3 -2.2 -52.6 133.1 84.8 3 3 A N S S+ 0 0 105 1,-0.2 21,-1.7 21,-0.1 22,-0.6 0.613 95.1 61.2 -92.5 -14.5 -50.9 131.8 87.9 4 4 A F E S-A 23 0A 24 -3,-0.4 19,-0.2 19,-0.3 -1,-0.2 -0.848 89.6-124.0-122.3 98.1 -47.7 130.7 86.1 5 5 A Q E -A 22 0A 64 17,-1.2 17,-1.0 -2,-0.6 -3,-0.1 -0.059 63.5 -63.6 -38.7 118.1 -45.7 133.5 84.3 6 6 A K S S- 0 0 192 15,-0.1 16,-0.2 -5,-0.1 2,-0.2 0.162 70.2-148.4 26.4-136.3 -45.5 132.4 80.7 7 7 A V - 0 0 60 14,-0.1 14,-0.1 2,-0.0 2,-0.1 -0.732 11.8-118.1-176.3-136.3 -43.5 129.1 80.4 8 8 A E - 0 0 104 -2,-0.2 12,-2.5 10,-0.0 2,-0.2 -0.183 31.6-118.2 156.9 103.8 -41.1 127.1 78.2 9 9 A K E +B 19 0A 126 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.381 29.3 177.7 -61.0 120.7 -42.0 123.7 76.8 10 10 A I E - 0 0 73 8,-2.2 2,-0.2 1,-0.3 9,-0.2 0.165 59.3 -52.7-110.9 17.5 -39.6 121.0 78.1 11 11 A G E -B 18 0A 34 7,-0.7 7,-3.1 2,-0.0 2,-0.5 -0.773 53.0 -84.7 139.9 174.9 -41.2 118.0 76.4 12 12 A E - 0 0 54 5,-0.3 5,-0.3 -2,-0.2 21,-0.0 -0.855 44.4-151.1-123.1 94.8 -44.3 116.1 75.8 13 13 A G - 0 0 17 -2,-0.5 5,-0.0 3,-0.3 -2,-0.0 0.221 35.5 -89.7 -50.9-179.3 -44.9 113.6 78.6 14 14 A T S S+ 0 0 40 1,-0.2 -1,-0.1 128,-0.1 145,-0.1 0.814 127.7 28.0 -67.6 -31.2 -46.7 110.3 78.2 15 15 A Y S S- 0 0 68 1,-0.1 21,-0.9 140,-0.1 2,-0.3 0.661 133.5 -33.3-103.4 -23.1 -50.1 111.9 78.9 16 16 A G E S- C 0 35A 0 19,-0.2 2,-0.3 20,-0.1 -3,-0.3 -0.876 81.8 -45.2-168.7-158.0 -49.5 115.4 77.8 17 17 A V E - C 0 34A 12 17,-1.0 17,-2.8 -5,-0.3 2,-0.4 -0.721 43.8-144.5 -97.7 144.6 -47.0 118.3 77.4 18 18 A V E -BC 11 33A 31 -7,-3.1 -8,-2.2 -2,-0.3 -7,-0.7 -0.908 17.0-171.6-112.2 136.3 -44.6 119.3 80.1 19 19 A Y E -BC 9 32A 38 13,-2.8 13,-3.4 -2,-0.4 2,-0.6 -0.885 26.8-131.5-125.7 154.1 -43.6 122.9 80.8 20 20 A K E + C 0 31A 67 -12,-2.5 2,-0.3 -2,-0.3 11,-0.2 -0.924 45.5 171.2 -98.6 125.4 -41.0 124.7 82.9 21 21 A A E - C 0 30A 5 9,-2.8 9,-3.1 -2,-0.6 2,-0.5 -0.938 31.0-134.0-138.0 160.3 -43.1 127.5 84.6 22 22 A R E -AC 5 29A 103 -17,-1.0 -17,-1.2 -2,-0.3 2,-0.9 -0.966 30.1-114.4-119.7 125.1 -42.7 130.1 87.3 23 23 A N E > -A 4 0A 33 5,-3.5 4,-3.2 -2,-0.5 -19,-0.3 -0.369 23.6-144.9 -58.4 98.4 -45.3 130.7 90.0 24 24 A K T 4 S+ 0 0 103 -21,-1.7 -1,-0.2 -2,-0.9 -20,-0.2 0.718 95.5 34.0 -36.2 -30.1 -46.4 134.2 89.0 25 25 A L T 4 S+ 0 0 152 -22,-0.6 -1,-0.2 3,-0.1 -21,-0.1 0.913 126.0 29.9 -92.1 -75.7 -46.8 134.8 92.8 26 26 A T T 4 S- 0 0 88 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.679 93.5-129.3 -61.4 -21.4 -44.2 132.9 94.8 27 27 A G < + 0 0 39 -4,-3.2 -3,-0.1 1,-0.3 -1,-0.1 0.455 54.7 154.2 82.7 -1.1 -41.6 133.1 92.1 28 28 A E - 0 0 90 -5,-0.2 -5,-3.5 -6,-0.1 2,-0.6 -0.376 41.2-136.3 -62.8 134.4 -41.2 129.3 92.5 29 29 A V E +C 22 0A 66 -7,-0.2 50,-0.7 -3,-0.1 -7,-0.2 -0.860 36.6 165.7 -97.6 122.1 -39.9 127.6 89.4 30 30 A V E -CD 21 78A 0 -9,-3.1 -9,-2.8 -2,-0.6 2,-0.5 -0.773 41.1-111.6-132.1 173.1 -41.8 124.3 88.8 31 31 A A E -CD 20 77A 14 46,-2.6 46,-3.0 -2,-0.2 2,-0.5 -0.945 34.5-160.1-106.6 127.2 -42.4 121.6 86.1 32 32 A L E -CD 19 76A 11 -13,-3.4 -13,-2.8 -2,-0.5 2,-0.6 -0.939 6.3-162.4-117.8 119.1 -46.0 121.7 84.9 33 33 A K E -CD 18 75A 6 42,-2.7 42,-2.3 -2,-0.5 2,-0.8 -0.865 6.3-156.1-100.2 125.0 -47.7 118.8 83.2 34 34 A K E -CD 17 74A 35 -17,-2.8 -17,-1.0 -2,-0.6 2,-0.5 -0.881 9.1-157.3-103.4 107.8 -50.8 119.6 81.3 35 35 A I E CD 16 73A 30 38,-3.8 38,-2.2 -2,-0.8 -19,-0.2 -0.744 360.0 360.0 -87.6 124.6 -53.0 116.5 81.0 36 36 A R 0 0 156 -21,-0.9 -1,-0.2 -2,-0.5 -20,-0.1 0.905 360.0 360.0 -93.8 360.0 -55.4 116.5 78.0 37 ! 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 38 41 A T 0 0 72 0, 0.0 34,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-153.8 -61.6 115.6 78.0 39 42 A E - 0 0 198 32,-0.1 32,-0.0 0, 0.0 0, 0.0 0.066 360.0 -42.8-137.4 22.8 -65.1 114.5 78.9 40 43 A G S S- 0 0 43 31,-0.2 31,-0.1 2,-0.1 0, 0.0 0.005 78.8-111.6 142.1 -34.3 -65.2 114.8 82.6 41 44 A V - 0 0 22 1,-0.1 5,-0.1 30,-0.1 2,-0.1 0.884 42.1 -84.5 71.1 105.5 -61.8 113.4 83.9 42 45 A P >> - 0 0 51 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.098 31.8-155.3 -41.2 102.1 -62.0 110.1 85.9 43 46 A S H 3> S+ 0 0 99 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.801 97.6 59.7 -51.5 -29.1 -62.8 111.1 89.5 44 47 A T H 3> S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.919 105.5 45.8 -65.9 -44.7 -61.1 107.8 90.3 45 48 A A H <> S+ 0 0 18 -3,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.944 111.0 52.0 -63.7 -48.6 -57.9 108.9 88.6 46 49 A I H X S+ 0 0 37 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.790 111.2 49.9 -59.1 -27.4 -58.0 112.3 90.3 47 50 A R H < S+ 0 0 155 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.911 109.2 48.3 -77.5 -44.0 -58.4 110.4 93.6 48 51 A E H < S+ 0 0 73 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.722 110.8 54.3 -67.6 -21.5 -55.5 108.1 93.0 49 52 A I H >X S+ 0 0 12 -4,-1.7 3,-2.6 1,-0.2 4,-1.0 0.937 98.6 59.1 -75.3 -49.2 -53.4 111.2 92.1 50 53 A S T 3< S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.455 102.8 59.5 -59.0 1.7 -54.3 112.9 95.4 51 54 A L T >4 S+ 0 0 60 -3,-0.4 3,-0.5 2,-0.1 4,-0.3 0.644 95.5 57.2-102.7 -24.8 -52.6 109.8 96.8 52 55 A L G X4 S+ 0 0 40 -3,-2.6 3,-0.8 -4,-0.4 11,-0.3 0.704 92.2 72.8 -79.0 -17.9 -49.3 110.4 95.1 53 56 A K G 3< S+ 0 0 72 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.797 94.7 52.0 -64.4 -29.9 -49.1 113.8 96.8 54 57 A E G < S+ 0 0 146 -3,-0.5 2,-1.7 -4,-0.1 -1,-0.2 0.645 81.7 104.0 -82.5 -13.9 -48.4 112.1 100.1 55 58 A L < + 0 0 15 -3,-0.8 2,-0.5 -4,-0.3 8,-0.2 -0.484 51.3 172.4 -69.1 86.3 -45.5 110.1 98.6 56 59 A N + 0 0 117 -2,-1.7 5,-0.1 6,-0.1 -2,-0.0 -0.867 11.5 134.0-105.3 127.2 -42.5 112.0 100.0 57 60 A H > - 0 0 29 -2,-0.5 3,-2.3 3,-0.4 54,-0.0 -0.929 59.7-116.2-166.2 140.4 -39.0 110.7 99.5 58 61 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.692 116.1 48.6 -52.8 -23.6 -35.6 112.3 98.5 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.136 98.7 78.5-107.0 19.0 -35.5 110.1 95.4 60 63 A I B < S-f 140 0B 8 -3,-2.3 -3,-0.4 79,-0.3 81,-0.2 -0.997 87.9-114.6-127.1 126.3 -39.1 110.8 94.2 61 64 A V - 0 0 10 79,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.399 40.6-114.9 -59.4 128.5 -39.9 114.0 92.4 62 65 A K - 0 0 65 -2,-0.1 16,-2.1 -4,-0.1 2,-0.9 -0.519 16.7-144.4 -73.5 127.3 -42.3 115.9 94.7 63 66 A L E -E 77 0A 9 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.827 19.8-177.6 -89.2 109.1 -45.8 116.4 93.4 64 67 A L E - 0 0 44 12,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.954 57.1 -8.4 -75.1 -53.8 -46.7 119.9 94.7 65 68 A D E -E 76 0A 92 11,-1.2 11,-3.4 2,-0.0 2,-0.5 -0.996 47.1-147.0-150.4 156.5 -50.3 120.2 93.5 66 69 A V E -E 75 0A 26 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.988 22.7-174.7-121.0 124.3 -53.0 118.7 91.3 67 70 A I E -E 74 0A 65 7,-3.0 7,-2.8 -2,-0.5 2,-0.5 -0.940 10.0-168.7-131.3 115.3 -55.4 121.1 89.7 68 71 A H E +E 73 0A 76 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.849 28.4 138.7 -99.4 132.1 -58.5 120.2 87.6 69 72 A T E > +E 72 0A 69 3,-2.6 3,-2.0 -2,-0.5 -2,-0.1 -0.904 59.9 10.6-171.1 141.1 -60.1 123.0 85.7 70 73 A E T 3 S- 0 0 152 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.836 124.5 -64.2 54.6 37.6 -61.6 123.6 82.2 71 74 A N T 3 S+ 0 0 85 1,-0.2 2,-0.3 -31,-0.1 -1,-0.3 0.414 118.0 110.4 68.4 -5.2 -61.6 119.8 81.5 72 75 A K E < - E 0 69A 80 -3,-2.0 -3,-2.6 -34,-0.1 2,-0.5 -0.767 59.4-146.4-101.9 148.3 -57.8 120.0 81.7 73 76 A L E -DE 35 68A 17 -38,-2.2 -38,-3.8 -2,-0.3 2,-0.4 -0.963 10.3-163.8-118.2 128.5 -55.7 118.5 84.5 74 77 A Y E -DE 34 67A 14 -7,-2.8 -7,-3.0 -2,-0.5 2,-0.5 -0.932 4.2-164.2-114.9 132.4 -52.5 120.1 85.7 75 78 A L E -DE 33 66A 15 -42,-2.3 -42,-2.7 -2,-0.4 2,-0.6 -0.960 9.7-154.9-113.9 122.3 -49.8 118.4 87.8 76 79 A V E +DE 32 65A 6 -11,-3.4 -12,-2.2 -2,-0.5 -11,-1.2 -0.889 19.5 178.0-102.4 122.2 -47.3 120.7 89.5 77 80 A F E -DE 31 63A 38 -46,-3.0 -46,-2.6 -2,-0.6 -14,-0.2 -0.843 38.2 -94.7-121.6 158.5 -43.9 119.1 90.3 78 81 A E E -D 30 0A 50 -16,-2.1 2,-0.4 -2,-0.3 -48,-0.2 -0.456 52.2-118.4 -65.7 140.6 -40.6 120.2 91.8 79 82 A F - 0 0 40 -50,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.705 29.9-174.0 -91.2 133.0 -38.4 121.2 88.9 80 83 A L - 0 0 18 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.938 25.0-130.6-120.4 149.2 -35.0 119.4 88.1 81 84 A H S S+ 0 0 104 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.623 77.3 16.0 -78.2 -14.9 -32.6 120.6 85.4 82 85 A Q E -G 132 0B 15 50,-1.0 50,-2.6 211,-0.0 2,-0.3 -0.997 61.0-134.8-155.7 155.2 -31.9 117.5 83.4 83 86 A D E > -G 131 0B 48 -2,-0.3 4,-2.1 48,-0.2 48,-0.2 -0.745 31.0-113.6-109.0 161.1 -33.1 113.9 82.8 84 87 A L H > S+ 0 0 0 46,-2.9 4,-2.9 43,-0.9 5,-0.2 0.817 113.1 61.8 -63.6 -29.4 -30.9 110.8 82.6 85 88 A K H > S+ 0 0 87 42,-0.9 4,-1.9 45,-0.3 -1,-0.2 0.961 108.8 41.6 -61.0 -49.4 -31.6 110.3 78.9 86 89 A K H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.900 113.8 53.2 -63.9 -40.1 -30.0 113.7 78.1 87 90 A F H X S+ 0 0 8 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.911 108.5 49.8 -63.2 -42.0 -27.1 113.0 80.6 88 91 A M H < S+ 0 0 17 -4,-2.9 3,-0.4 2,-0.2 4,-0.3 0.902 110.5 49.2 -64.4 -40.0 -26.4 109.6 79.0 89 92 A D H >< S+ 0 0 107 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.899 111.3 50.7 -64.9 -39.0 -26.3 111.1 75.5 90 93 A A H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.669 116.2 41.6 -70.9 -17.6 -24.0 113.8 76.8 91 94 A S T 3X S+ 0 0 15 -4,-1.0 4,-3.9 -3,-0.4 -1,-0.2 0.255 81.2 109.1-110.8 8.7 -21.7 111.1 78.4 92 95 A A T <4 S+ 0 0 43 -3,-0.9 -2,-0.1 -4,-0.3 -1,-0.1 0.822 79.6 47.3 -56.4 -35.7 -21.8 108.7 75.4 93 96 A L T 4 S+ 0 0 171 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.886 127.1 24.8 -75.0 -39.8 -18.2 109.3 74.4 94 97 A T T 4 S- 0 0 110 -4,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.785 102.6-131.8 -94.3 -32.1 -16.7 109.0 77.9 95 98 A G < - 0 0 7 -4,-3.9 -3,-0.1 -7,-0.2 99,-0.1 0.112 32.3 -77.0 89.4 148.4 -19.2 106.8 79.6 96 99 A I - 0 0 11 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.689 57.9-106.4 -78.4 131.3 -20.7 107.7 83.0 97 100 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.328 26.7-119.4 -60.2 140.6 -18.1 106.7 85.7 98 101 A L H 3> S+ 0 0 63 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.830 110.8 59.3 -49.8 -41.2 -19.0 103.6 87.6 99 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.886 110.5 43.4 -58.8 -34.2 -19.1 105.2 91.0 100 103 A L H <> S+ 0 0 5 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.863 112.7 51.3 -77.8 -37.1 -21.8 107.6 89.6 101 104 A I H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.959 113.2 46.8 -60.8 -48.8 -23.7 104.7 87.8 102 105 A K H X S+ 0 0 15 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.885 111.6 50.4 -61.5 -41.8 -23.6 102.8 91.1 103 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.933 112.2 46.8 -63.0 -46.2 -24.8 105.8 93.1 104 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 112.9 49.0 -61.6 -46.6 -27.7 106.5 90.7 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.921 112.0 49.5 -58.7 -45.1 -28.7 102.8 90.7 106 109 A F H X S+ 0 0 50 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.920 112.3 46.8 -61.6 -45.0 -28.6 102.7 94.6 107 110 A Q H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.897 111.5 51.4 -66.2 -40.1 -30.7 105.9 94.9 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.901 109.6 49.8 -64.8 -39.2 -33.3 104.6 92.4 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.862 109.7 51.9 -66.5 -35.7 -33.6 101.3 94.3 110 113 A Q H X S+ 0 0 68 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.944 111.0 47.8 -63.7 -47.1 -34.1 103.3 97.5 111 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 114.9 45.5 -59.5 -41.9 -36.8 105.3 95.8 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.914 107.9 55.5 -69.8 -41.8 -38.4 102.1 94.5 113 116 A A H X S+ 0 0 24 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.903 111.2 47.5 -56.5 -39.4 -38.2 100.3 97.8 114 117 A F H X S+ 0 0 51 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.960 113.4 45.1 -65.7 -53.5 -40.1 103.2 99.3 115 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.9 0.938 115.2 48.8 -54.1 -50.1 -42.8 103.3 96.6 116 119 A H H ><5S+ 0 0 29 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.785 105.4 55.9 -63.2 -31.9 -43.2 99.5 96.7 117 120 A S H 3<5S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.679 109.6 48.9 -74.7 -17.9 -43.5 99.4 100.5 118 121 A H T <<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.192 122.4-109.6-103.7 13.8 -46.4 101.8 100.1 119 122 A R T < 5S+ 0 0 208 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.828 74.2 135.1 63.1 36.9 -48.0 99.7 97.4 120 123 A V < - 0 0 29 -5,-2.6 2,-0.3 -8,-0.2 -1,-0.2 -0.965 36.3-162.8-118.0 130.9 -47.2 102.1 94.6 121 124 A L - 0 0 19 -2,-0.4 58,-0.1 1,-0.2 56,-0.0 -0.847 14.0-155.0-109.4 147.5 -45.9 100.9 91.2 122 125 A H - 0 0 0 -2,-0.3 22,-1.6 57,-0.1 24,-0.2 0.930 19.2-176.3 -82.7 -52.7 -44.2 103.2 88.7 123 126 A R + 0 0 57 20,-0.1 -1,-0.1 56,-0.1 22,-0.1 0.166 68.3 54.5 79.1 -17.7 -45.0 101.0 85.7 124 127 A D + 0 0 32 20,-0.1 5,-0.1 42,-0.1 -1,-0.1 -0.053 65.2 163.9-141.5 41.9 -43.2 103.2 83.1 125 128 A L + 0 0 1 40,-0.1 40,-0.1 19,-0.1 17,-0.1 -0.363 13.0 145.4 -62.4 135.3 -39.6 103.7 84.2 126 129 A K > - 0 0 19 -2,-0.1 3,-2.1 1,-0.1 -42,-0.2 -0.952 62.8 -94.7-163.3 157.9 -37.2 105.0 81.5 127 130 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -43,-0.9 0.836 119.4 62.3 -46.5 -40.2 -34.2 107.4 81.3 128 131 A Q G 3 S+ 0 0 64 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.1 0.728 104.7 46.0 -63.1 -26.5 -36.5 110.3 80.3 129 132 A N G < S+ 0 0 5 -3,-2.1 12,-2.3 -5,-0.1 2,-0.6 0.144 91.0 90.1-106.0 25.4 -38.4 110.1 83.6 130 133 A L E < - H 0 140B 0 -3,-1.6 -46,-2.9 10,-0.2 2,-0.4 -0.979 66.1-160.4-113.9 116.4 -35.3 109.8 85.9 131 134 A L E -GH 83 139B 32 8,-2.7 8,-3.0 -2,-0.6 2,-0.3 -0.825 6.7-165.7-107.1 140.5 -34.3 113.4 86.8 132 135 A I E -GH 82 138B 0 -50,-2.6 -50,-1.0 -2,-0.4 2,-0.3 -0.832 1.9-162.3-121.6 156.9 -30.9 114.5 88.1 133 136 A N > - 0 0 37 4,-1.6 3,-1.4 -2,-0.3 4,-0.1 -0.781 39.9 -96.9-129.0 176.7 -29.5 117.6 89.8 134 137 A T T 3 S+ 0 0 74 -2,-0.3 159,-0.1 1,-0.3 -1,-0.0 0.708 114.2 69.5 -66.2 -21.3 -26.1 119.2 90.5 135 138 A E T 3 S- 0 0 141 155,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.451 117.5-103.1 -78.6 -1.9 -26.0 117.7 94.0 136 139 A G S < S+ 0 0 0 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.571 78.3 134.1 91.0 8.3 -25.7 114.1 92.7 137 140 A A - 0 0 10 151,-0.1 -4,-1.6 -4,-0.1 2,-0.4 -0.590 36.4-164.8 -91.0 154.6 -29.3 113.1 93.4 138 141 A I E - H 0 132B 0 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.994 10.8-164.2-136.6 138.4 -31.5 111.2 90.9 139 142 A K E - H 0 131B 29 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.3 -0.970 21.8-118.8-134.3 147.1 -35.3 111.1 91.2 140 143 A L E +fH 60 130B 1 -81,-2.5 -79,-2.8 -2,-0.4 2,-0.3 -0.613 42.3 171.5 -78.0 131.3 -38.2 109.0 89.9 141 144 A A + 0 0 11 -12,-2.3 -12,-0.1 -2,-0.3 -79,-0.0 -0.814 43.9 34.9-134.9 174.1 -40.7 111.1 88.0 142 145 A D S S- 0 0 33 -2,-0.3 -1,-0.2 1,-0.2 -128,-0.1 0.864 70.8-157.0 47.0 52.8 -43.8 110.8 85.8 143 146 A F - 0 0 28 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.340 10.5-132.7 -58.9 133.6 -45.3 107.8 87.6 144 147 A G - 0 0 9 -22,-1.6 2,-0.3 1,-0.1 -23,-0.1 -0.700 12.4-159.6 -91.9 141.6 -47.6 105.9 85.3 145 148 A L > - 0 0 21 -2,-0.3 3,-0.6 -22,-0.1 -22,-0.1 -0.549 23.1-163.3-117.4 64.4 -51.0 104.9 86.6 146 149 A A T 3 S+ 0 0 17 -2,-0.3 2,-3.9 1,-0.2 5,-0.1 0.137 72.4 23.4 -41.3 162.5 -51.8 102.2 84.0 147 150 A R T > S+ 0 0 140 5,-0.1 3,-1.3 1,-0.1 -1,-0.2 -0.293 85.3 145.0 70.9 -57.7 -55.3 101.0 83.7 148 151 A A T < S+ 0 0 36 -2,-3.9 -2,-0.1 -3,-0.6 -1,-0.1 0.027 80.4 5.5 30.5-102.0 -56.3 104.4 85.1 149 152 A F T 3 S- 0 0 146 -105,-0.1 -1,-0.3 -104,-0.0 -3,-0.1 0.927 139.4 -56.1 -69.8 -46.6 -59.5 105.1 83.1 150 153 A G S < S- 0 0 45 -3,-1.3 -2,-0.1 0, 0.0 0, 0.0 0.121 105.1 -18.5-157.2 -76.2 -59.5 101.6 81.5 151 154 A V - 0 0 106 -5,-0.1 2,-0.2 0, 0.0 -3,-0.1 -0.691 57.2-149.5-155.5 95.2 -56.5 100.4 79.5 152 155 A P + 0 0 54 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.461 42.8 131.9 -68.8 131.7 -53.9 102.9 78.1 153 156 A V + 0 0 112 1,-0.3 2,-0.3 -2,-0.2 8,-0.1 0.291 62.2 45.8-160.0 2.0 -52.2 101.8 74.9 154 157 A R - 0 0 191 6,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.943 63.5-144.3-158.2 132.9 -52.3 104.9 72.6 155 158 A T - 0 0 38 -2,-0.3 3,-0.2 4,-0.3 -140,-0.1 -0.361 24.0-118.8 -91.2 172.9 -51.6 108.6 72.9 156 159 A Y S S+ 0 0 94 1,-0.2 -1,-0.1 -141,-0.1 -141,-0.1 0.868 114.2 46.8 -79.3 -40.2 -53.3 111.6 71.3 157 160 A T S S- 0 0 54 2,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.360 108.4-124.5 -82.9 6.4 -50.3 112.9 69.4 158 161 A H + 0 0 125 -3,-0.2 2,-0.4 1,-0.2 -2,-0.1 0.775 48.8 173.4 54.9 25.5 -49.7 109.4 68.2 159 162 A E - 0 0 93 1,-0.1 -4,-0.3 -145,-0.1 -1,-0.2 -0.525 40.8-101.6 -68.0 122.0 -46.2 109.9 69.7 160 163 A V - 0 0 133 -2,-0.4 2,-0.5 -3,-0.2 -1,-0.1 -0.151 33.1-129.3 -50.0 129.8 -44.4 106.5 69.6 161 164 A V - 0 0 67 -8,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.706 17.8-125.3 -85.9 123.9 -44.4 104.6 72.9 162 165 A T + 0 0 39 -2,-0.5 3,-0.2 1,-0.2 41,-0.1 -0.559 30.6 174.1 -74.6 122.3 -41.0 103.4 74.1 163 166 A L > + 0 0 14 -2,-0.5 3,-1.8 39,-0.4 -1,-0.2 0.391 50.3 104.3-102.8 -4.5 -41.1 99.6 74.8 164 167 A W T 3 S+ 0 0 92 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.728 86.1 39.5 -54.3 -25.2 -37.4 99.2 75.5 165 168 A Y T 3 S+ 0 0 11 -3,-0.2 2,-0.3 34,-0.1 -1,-0.3 0.328 84.0 126.5-110.6 6.7 -37.9 99.0 79.2 166 169 A R < - 0 0 60 -3,-1.8 -42,-0.1 1,-0.1 16,-0.1 -0.511 60.9-120.3 -72.9 130.3 -41.1 96.9 79.4 167 170 A A >> - 0 0 0 -2,-0.3 4,-1.6 14,-0.1 3,-0.7 -0.251 23.1-117.7 -63.6 149.9 -41.0 93.7 81.5 168 171 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.861 110.8 61.6 -62.7 -33.7 -41.7 90.4 79.7 169 172 A E H 34>S+ 0 0 7 1,-0.2 5,-2.7 2,-0.2 -3,-0.0 0.851 104.1 49.9 -61.6 -31.6 -44.8 89.6 81.7 170 173 A I H X45S+ 0 0 20 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.935 110.5 49.8 -70.3 -43.8 -46.4 92.8 80.4 171 174 A L H 3<5S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.773 106.4 56.7 -63.9 -28.4 -45.5 91.9 76.8 172 175 A L T 3<5S- 0 0 0 -4,-1.9 60,-2.7 59,-0.1 61,-0.4 0.310 124.3-101.4 -88.5 9.6 -47.0 88.4 77.3 173 176 A G T < 5 + 0 0 22 -3,-1.6 -3,-0.2 58,-0.2 -2,-0.1 0.640 55.9 171.5 85.2 17.5 -50.3 89.9 78.3 174 177 A C < - 0 0 31 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.373 22.6-153.9 -63.0 136.5 -50.3 89.6 82.0 175 178 A K S S+ 0 0 156 1,-0.2 2,-0.6 -2,-0.0 -1,-0.1 0.800 77.3 52.3 -81.5 -31.9 -53.3 91.5 83.4 176 179 A Y S S- 0 0 164 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.931 74.4-150.9-114.0 117.2 -51.9 92.3 86.9 177 180 A Y - 0 0 76 -2,-0.6 2,-0.2 -3,-0.1 -56,-0.0 -0.560 10.8-157.7 -82.6 148.3 -48.6 94.1 87.2 178 181 A S > - 0 0 47 -2,-0.2 3,-2.3 1,-0.0 4,-0.4 -0.737 38.6 -95.5-118.2 170.2 -46.3 93.5 90.2 179 182 A T T >> S+ 0 0 58 1,-0.3 3,-1.1 -2,-0.2 4,-1.0 0.747 115.8 79.0 -55.2 -23.5 -43.5 95.6 91.7 180 183 A A H 3> S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.798 78.4 67.8 -58.2 -29.2 -41.2 93.3 89.7 181 184 A V H <> S+ 0 0 1 -3,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.878 99.1 50.2 -62.6 -32.6 -42.0 95.3 86.5 182 185 A D H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.4 -1,-0.2 0.848 106.9 54.2 -72.7 -32.5 -40.1 98.3 87.9 183 186 A I H X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.910 107.5 51.2 -66.9 -40.0 -37.1 96.2 88.8 184 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.957 110.4 48.3 -60.3 -51.3 -36.9 94.9 85.2 185 188 A S H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.904 111.5 49.8 -57.0 -43.2 -37.0 98.4 83.8 186 189 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.878 107.7 54.2 -65.3 -36.9 -34.3 99.6 86.2 187 190 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 76,-0.2 -1,-0.2 0.926 108.1 49.8 -60.4 -44.2 -32.2 96.6 85.2 188 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 11,-0.4 0.872 112.4 47.8 -61.6 -36.2 -32.5 97.7 81.6 189 192 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.894 108.8 53.4 -71.1 -40.0 -31.5 101.2 82.5 190 193 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.940 109.5 48.7 -59.1 -49.2 -28.5 100.1 84.6 191 194 A A H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.873 109.9 52.8 -59.8 -39.5 -27.2 98.0 81.6 192 195 A E H X S+ 0 0 25 -4,-1.6 4,-2.4 2,-0.2 5,-0.4 0.873 106.6 50.8 -66.7 -38.9 -27.7 101.1 79.3 193 196 A M H < S+ 0 0 3 -4,-2.2 -97,-0.6 2,-0.2 -1,-0.2 0.893 115.4 45.7 -64.3 -36.9 -25.7 103.4 81.6 194 197 A V H < S+ 0 0 19 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.954 124.9 27.7 -72.1 -50.8 -22.9 100.8 81.6 195 198 A T H < S- 0 0 44 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.708 95.4-131.4 -86.3 -20.4 -22.8 99.9 77.9 196 199 A R S < S+ 0 0 122 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.1 0.761 79.7 88.8 71.3 29.0 -24.0 103.3 76.6 197 200 A R S S- 0 0 201 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.972 89.9 -95.9-152.9 139.3 -26.5 101.5 74.3 198 201 A A - 0 0 19 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.286 28.4-142.0 -57.6 137.4 -30.1 100.4 75.0 199 202 A L S S+ 0 0 28 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.948 90.7 15.8 -66.9 -50.0 -30.2 96.8 76.1 200 203 A F S S- 0 0 3 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.722 70.4-179.4-128.8 78.4 -33.4 95.8 74.3 201 204 A P + 0 0 42 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.452 14.7 178.7 -83.1 74.5 -34.3 98.4 71.6 202 205 A G - 0 0 5 -2,-1.9 -39,-0.4 1,-0.1 -38,-0.2 -0.412 25.7-162.3 -76.0 150.3 -37.5 96.9 70.2 203 206 A D S S+ 0 0 127 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.434 79.3 18.0-107.0 -5.9 -39.4 98.7 67.4 204 207 A S S > S- 0 0 38 1,-0.1 4,-2.2 -41,-0.0 5,-0.2 -0.929 89.1 -98.3-152.6 170.6 -42.7 96.8 68.0 205 208 A E H > S+ 0 0 97 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.911 124.2 43.7 -64.6 -39.8 -44.1 94.7 70.8 206 209 A I H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.877 112.8 50.7 -73.3 -37.0 -43.1 91.4 69.2 207 210 A D H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 110.3 52.3 -66.6 -35.7 -39.6 92.7 68.2 208 211 A Q H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.968 112.1 44.7 -62.7 -51.7 -39.2 93.8 71.9 209 212 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 114.9 47.7 -59.2 -45.7 -40.1 90.4 73.1 210 213 A F H X S+ 0 0 38 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.836 107.5 55.2 -68.7 -32.3 -37.9 88.6 70.6 211 214 A R H X S+ 0 0 86 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.923 110.5 47.0 -64.5 -41.4 -34.9 90.9 71.3 212 215 A I H >X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 3,-0.6 0.954 113.4 48.3 -63.1 -46.6 -35.3 89.8 75.0 213 216 A F H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.879 106.9 56.0 -60.4 -40.2 -35.6 86.2 74.0 214 217 A R H 3< S+ 0 0 92 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.798 118.3 33.8 -64.7 -28.5 -32.5 86.3 71.7 215 218 A T H << S+ 0 0 37 -4,-1.2 28,-2.4 -3,-0.6 -2,-0.2 0.892 131.2 27.4 -92.8 -49.3 -30.4 87.6 74.6 216 219 A L H < S- 0 0 6 -4,-3.2 26,-0.3 26,-0.2 -3,-0.2 0.513 115.4-102.9 -94.3 -4.2 -31.8 85.9 77.7 217 220 A G < - 0 0 6 -4,-2.0 24,-0.2 -5,-0.4 -1,-0.2 0.182 43.6 -69.9 94.9 142.8 -33.1 82.8 75.9 218 221 A T - 0 0 20 22,-2.3 24,-0.1 -4,-0.1 -8,-0.0 -0.535 63.5-119.2 -65.7 126.7 -36.7 81.9 75.0 219 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.355 36.9 177.3 -71.3 149.3 -38.4 81.3 78.4 220 223 A D > - 0 0 74 -2,-0.0 4,-2.5 7,-0.0 7,-0.2 -0.773 48.9 -82.1-136.8-177.4 -39.9 77.9 79.2 221 224 A E T 4 S+ 0 0 81 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.709 120.9 63.5 -64.1 -21.0 -41.6 76.2 82.2 222 225 A V T 4 S+ 0 0 123 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.971 117.3 23.7 -69.2 -53.0 -38.3 75.4 83.8 223 226 A V T 4 S+ 0 0 70 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.761 138.1 29.3 -85.6 -22.6 -37.1 79.0 84.3 224 227 A W S >< S- 0 0 4 -4,-2.5 3,-2.3 42,-0.1 4,-0.3 -0.673 77.5-151.4-140.4 84.5 -40.6 80.6 84.4 225 228 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.303 85.7 19.3 -56.6 130.5 -43.4 78.3 85.7 226 229 A G T > S+ 0 0 26 4,-0.0 3,-1.5 -2,-0.0 4,-0.2 0.266 87.4 118.2 92.5 -10.4 -46.7 79.3 84.1 227 230 A V G X + 0 0 0 -3,-2.3 3,-1.5 1,-0.3 6,-0.1 0.868 69.8 56.3 -59.0 -38.9 -45.2 81.2 81.1 228 231 A T G 3 S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.557 105.1 53.2 -72.9 -5.9 -46.7 78.9 78.4 229 232 A S G < S+ 0 0 99 -3,-1.5 -1,-0.3 5,-0.0 -2,-0.2 0.285 81.6 122.2-108.9 8.6 -50.2 79.6 79.7 230 233 A M S X S- 0 0 33 -3,-1.5 3,-1.7 -4,-0.2 -57,-0.1 -0.424 76.2-106.0 -71.5 150.9 -49.9 83.4 79.5 231 234 A P T 3 S+ 0 0 85 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.783 114.6 28.3 -42.1 -49.9 -52.4 85.3 77.3 232 235 A D T 3 S+ 0 0 77 -60,-2.7 2,-0.2 2,-0.1 -59,-0.2 0.230 89.2 122.8-105.5 14.8 -50.1 86.2 74.5 233 236 A Y < - 0 0 28 -3,-1.7 -5,-0.0 -61,-0.4 3,-0.0 -0.566 42.6-164.9 -75.8 139.9 -47.7 83.3 74.7 234 237 A K > - 0 0 100 -2,-0.2 3,-2.1 1,-0.1 -2,-0.1 -0.993 26.0-142.6-128.8 132.0 -47.5 81.2 71.5 235 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.764 102.4 68.6 -61.8 -20.5 -46.0 77.8 71.1 236 239 A S T 3 + 0 0 104 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.464 69.5 123.1 -78.7 -1.6 -44.8 79.0 67.8 237 240 A F S < S- 0 0 13 -3,-2.1 -19,-0.0 1,-0.1 -4,-0.0 -0.309 73.5-104.3 -57.2 141.2 -42.3 81.5 69.4 238 241 A P - 0 0 55 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.374 29.4-125.1 -67.9 153.7 -38.7 80.8 68.2 239 242 A K - 0 0 165 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.834 32.0-178.4-105.8 99.8 -36.5 79.0 70.7 240 243 A W - 0 0 78 -2,-0.8 -22,-2.3 -30,-0.0 2,-0.2 -0.768 25.9-122.9 -97.1 141.8 -33.3 80.9 71.2 241 244 A A - 0 0 75 -2,-0.4 -24,-0.4 -24,-0.2 2,-0.1 -0.539 37.7 -99.0 -77.9 147.1 -30.5 79.7 73.5 242 245 A R - 0 0 121 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.428 42.3-124.6 -65.2 141.2 -29.6 82.1 76.4 243 246 A Q - 0 0 71 -28,-2.4 5,-0.1 1,-0.1 -1,-0.1 -0.605 33.0 -86.7 -89.9 151.9 -26.5 84.0 75.4 244 247 A D > - 0 0 108 -2,-0.2 3,-1.2 1,-0.2 4,-0.3 -0.356 38.6-140.5 -53.5 127.5 -23.4 84.1 77.6 245 248 A F G >> S+ 0 0 33 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.727 94.5 69.9 -68.5 -24.3 -24.0 86.9 80.0 246 249 A S G 34 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.652 96.1 57.8 -67.7 -13.2 -20.5 88.3 80.0 247 250 A K G <4 S+ 0 0 131 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.637 96.3 66.1 -90.4 -14.9 -21.3 89.4 76.5 248 251 A V T <4 S+ 0 0 24 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.1 0.958 116.3 11.1 -73.3 -56.9 -24.3 91.5 77.6 249 252 A V S >< S- 0 0 0 -4,-0.9 3,-2.6 3,-0.1 -1,-0.2 -0.265 90.0-157.7-121.8 49.0 -22.8 94.3 79.7 250 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.419 69.8 20.7 -66.5 146.5 -19.0 94.3 79.2 251 254 A P T 3 S+ 0 0 125 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 -0.727 87.1 124.5-104.3 41.2 -16.9 95.3 81.0 252 255 A L < - 0 0 7 -3,-2.6 -3,-0.1 1,-0.1 5,-0.0 -0.320 63.2-112.2 -58.3 135.8 -19.1 95.4 84.1 253 256 A D > - 0 0 59 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.120 29.7 -98.6 -65.9 167.2 -17.6 93.5 87.0 254 257 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.793 121.9 56.2 -60.8 -32.9 -19.0 90.3 88.5 255 258 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.948 112.6 42.7 -63.1 -46.6 -20.8 92.0 91.3 256 259 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.928 114.7 49.4 -63.5 -44.4 -22.6 94.3 88.8 257 260 A R H X S+ 0 0 66 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.896 110.0 52.5 -62.7 -40.6 -23.3 91.4 86.4 258 261 A S H X S+ 0 0 37 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.938 111.3 45.1 -60.8 -50.1 -24.7 89.3 89.3 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.935 113.4 50.5 -61.2 -44.2 -27.1 92.0 90.5 260 263 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.4 0.920 106.5 54.7 -61.3 -42.4 -28.2 92.7 86.9 261 264 A S H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.883 109.5 48.4 -58.5 -37.9 -28.9 89.0 86.3 262 265 A Q H >< S+ 0 0 68 -4,-1.8 10,-2.1 1,-0.2 3,-0.6 0.769 108.9 52.4 -73.4 -26.3 -31.2 89.0 89.3 263 266 A M H 3< S+ 0 0 0 -4,-1.5 -76,-0.2 -3,-0.4 -1,-0.2 0.718 112.3 48.0 -79.4 -18.8 -32.9 92.2 88.1 264 267 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.145 74.5 137.6-108.5 20.3 -33.6 90.4 84.8 265 268 A H < - 0 0 68 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.417 53.2-136.3 -63.1 141.7 -34.9 87.1 85.9 266 269 A Y S S+ 0 0 15 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.939 86.8 76.0 -65.7 -49.5 -37.9 86.1 83.8 267 270 A D S >> S- 0 0 17 -44,-0.5 4,-2.0 1,-0.2 3,-2.0 -0.527 75.2-148.0 -67.9 116.3 -40.1 84.8 86.6 268 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.785 99.5 56.9 -55.5 -25.7 -41.4 88.0 88.3 269 272 A N T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.669 108.8 42.9 -80.9 -17.4 -41.4 86.0 91.5 270 273 A K T <4 S+ 0 0 99 -3,-2.0 -1,-0.2 2,-0.1 3,-0.1 0.710 89.3 108.2 -95.7 -25.9 -37.7 85.2 91.3 271 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.231 81.9-104.2 -53.5 135.4 -36.8 88.8 90.2 272 275 A I - 0 0 20 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.269 32.4-123.3 -64.8 145.9 -35.0 90.5 93.1 273 276 A S > - 0 0 62 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.441 21.7-112.3 -84.4 166.4 -36.9 93.1 95.1 274 277 A A H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -161,-0.2 0.923 117.9 50.8 -63.6 -40.7 -35.7 96.7 95.5 275 278 A K H > S+ 0 0 172 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.911 112.2 44.5 -64.8 -43.1 -35.0 96.1 99.2 276 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.886 108.4 59.1 -68.6 -36.4 -33.0 93.0 98.6 277 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.862 96.5 61.3 -61.0 -34.6 -31.1 94.7 95.8 278 281 A L H 3< S+ 0 0 40 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.772 103.0 51.9 -63.9 -23.5 -29.9 97.4 98.2 279 282 A A T << S+ 0 0 83 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.480 82.1 122.9 -91.1 -2.4 -28.1 94.7 100.2 280 283 A H S X S- 0 0 17 -3,-1.5 3,-2.1 -4,-0.4 4,-0.1 -0.302 74.7-117.5 -62.0 144.0 -26.3 93.2 97.2 281 284 A P G > S+ 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.697 107.8 77.0 -52.0 -27.4 -22.4 93.1 97.4 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.820 94.4 50.2 -56.4 -31.2 -22.2 95.5 94.4 283 286 A F G X S+ 0 0 11 -3,-2.1 3,-1.6 -6,-0.2 -1,-0.3 0.334 75.6 103.8 -92.9 9.3 -23.2 98.3 96.8 284 287 A Q T < S+ 0 0 179 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.850 94.1 32.0 -58.2 -34.6 -20.6 97.6 99.5 285 288 A D T 3 S+ 0 0 103 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.065 86.4 146.9-111.6 26.0 -18.5 100.5 98.2 286 289 A V < + 0 0 41 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.309 18.8 172.5 -64.6 144.1 -21.2 102.9 97.0 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.749 37.3-108.8-137.0-177.5 -20.6 106.6 97.4 288 291 A K - 0 0 132 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.705 39.5-176.9-125.1 81.4 -22.3 109.8 96.3 289 292 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.196 26.9-116.2 -70.0 166.5 -20.3 111.4 93.5 290 293 A V - 0 0 109 -154,-0.0 2,-0.1 3,-0.0 -155,-0.1 -0.887 28.0-132.7-104.6 131.0 -21.2 114.8 91.9 291 294 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -155,-0.1 -0.489 16.6-117.1 -83.6 160.9 -22.0 114.7 88.2 292 295 A H - 0 0 169 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.849 43.9-179.2 -95.6 103.4 -20.6 117.1 85.7 293 296 A L - 0 0 30 -2,-0.9 2,-0.7 -159,-0.1 -159,-0.0 -0.929 22.4-161.2-112.6 129.5 -23.7 118.9 84.4 294 297 A R 0 0 167 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.913 360.0 360.0-107.2 106.1 -23.8 121.7 81.8 295 298 A L 0 0 134 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.799 360.0 360.0 -97.9 360.0 -27.2 123.5 82.2