==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 17-OCT-12 3W03 . COMPND 2 MOLECULE: NON-HOMOLOGOUS END-JOINING FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.WU,T.OCHI,D.MATAK-VINKOVIC,C.V.ROBINSON,D.Y.CHIRGADZE,T.L. . 784 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 15 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 33 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 3 2 0 1 2 6 2 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 4 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 . 0 4 0 2 3 3 7 3 1 1 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 1 1 2 0 1 1 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 0 A G > 0 0 38 0, 0.0 4,-1.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -39.7 75.2 25.3 -8.7 2 1 A M H > + 0 0 51 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.842 360.0 53.4 -66.4 -37.8 74.3 25.9 -5.1 3 2 A E H > S+ 0 0 165 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 107.4 51.9 -62.2 -42.5 77.3 23.9 -3.8 4 3 A E H > S+ 0 0 136 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.796 106.2 54.1 -67.5 -30.2 79.6 26.0 -6.0 5 4 A L H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.924 111.2 45.0 -66.8 -41.8 78.2 29.2 -4.5 6 5 A E H X S+ 0 0 35 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.866 113.4 51.3 -72.3 -36.0 78.9 28.0 -1.0 7 6 A Q H X S+ 0 0 100 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.966 112.6 44.6 -59.6 -56.8 82.4 26.8 -2.0 8 7 A G H >< S+ 0 0 10 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.862 109.8 57.5 -55.5 -39.5 83.2 30.2 -3.6 9 8 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.886 96.8 61.6 -62.9 -38.7 81.8 32.0 -0.6 10 9 A L H 3< S+ 0 0 6 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.847 107.2 45.8 -57.5 -32.1 84.2 30.2 1.8 11 10 A M T << S+ 0 0 58 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.442 88.1 104.4 -98.7 2.6 87.2 31.7 0.0 12 11 A Q S < S- 0 0 44 -3,-1.3 2,-0.1 -4,-0.4 17,-0.1 -0.512 71.5-124.4 -70.9 145.2 85.8 35.3 -0.2 13 12 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.428 30.6 -97.7 -80.6 169.5 87.4 37.7 2.3 14 13 A W - 0 0 3 -2,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.744 36.9-161.1 -87.0 137.1 85.3 39.8 4.7 15 14 A A E -A 26 0A 8 11,-3.3 11,-2.6 -2,-0.4 2,-0.4 -0.779 17.5-122.8-109.8 158.7 84.3 43.3 3.8 16 15 A W E -A 25 0A 24 69,-0.4 2,-0.5 -2,-0.3 9,-0.2 -0.813 26.0-159.0 -96.6 142.3 83.1 46.1 6.0 17 16 A L E -A 24 0A 10 7,-2.4 7,-1.9 -2,-0.4 2,-0.4 -0.958 8.5-146.6-132.5 112.3 79.8 47.6 5.1 18 17 A Q E -A 23 0A 111 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.646 26.1-177.5 -73.9 126.8 78.6 51.1 6.2 19 18 A L - 0 0 13 3,-2.1 78,-0.2 -2,-0.4 76,-0.0 -0.672 42.1 -90.2-118.1 176.5 74.8 51.1 6.7 20 19 A A S S+ 0 0 88 76,-1.4 77,-0.1 -2,-0.2 -1,-0.1 0.940 118.3 4.5 -50.8 -56.3 72.3 53.8 7.6 21 20 A E S S- 0 0 103 77,-0.1 -1,-0.1 -3,-0.0 2,-0.1 0.906 134.5 -0.1 -97.3 -59.0 72.5 53.3 11.4 22 21 A N S S- 0 0 103 76,-0.1 -3,-2.1 -4,-0.0 2,-0.3 -0.004 72.3-109.5-110.0-148.2 75.2 50.7 12.1 23 22 A S E -A 18 0A 10 -5,-0.2 2,-0.3 18,-0.1 -5,-0.2 -0.955 20.0-156.2-145.8 162.9 77.6 48.5 10.1 24 23 A L E -A 17 0A 7 -7,-1.9 -7,-2.4 -2,-0.3 2,-0.4 -0.977 20.7-123.4-136.7 153.4 78.1 44.9 9.1 25 24 A L E -AB 16 40A 6 15,-2.8 15,-2.4 -2,-0.3 2,-0.3 -0.807 41.8-176.8 -85.5 138.9 80.8 42.5 8.1 26 25 A A E +AB 15 39A 11 -11,-2.6 -11,-3.3 -2,-0.4 2,-0.3 -1.000 23.8 179.5-146.0 139.0 79.9 40.9 4.8 27 26 A K E + B 0 38A 4 11,-2.4 11,-3.0 -2,-0.3 2,-0.3 -0.985 15.9 175.6-136.1 140.3 81.2 38.3 2.3 28 27 A V E - B 0 37A 8 -2,-0.3 2,-0.4 -15,-0.2 9,-0.2 -0.981 19.1-159.9-143.7 149.8 79.3 37.4 -0.9 29 28 A F E - B 0 36A 53 7,-2.1 7,-1.6 -2,-0.3 2,-0.4 -0.971 17.4-171.2-135.1 121.8 79.9 35.2 -3.9 30 29 A I E + B 0 35A 19 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.940 13.4 155.2-122.6 129.3 77.9 35.9 -7.1 31 30 A T E > - B 0 34A 49 3,-2.7 3,-0.8 -2,-0.4 47,-0.1 -0.735 61.0 -86.7-130.1-172.8 77.6 33.9 -10.3 32 31 A K T 3 S+ 0 0 147 -2,-0.2 42,-0.1 1,-0.2 39,-0.1 0.632 125.5 57.5 -67.5 -14.9 75.0 33.6 -13.1 33 32 A Q T 3 S- 0 0 81 1,-0.3 19,-0.4 -32,-0.1 2,-0.3 0.561 120.9 -81.0 -93.3 -14.7 73.3 30.9 -11.0 34 33 A G E < -B 31 0A 0 -3,-0.8 -3,-2.7 17,-0.2 2,-0.3 -0.982 48.3 -82.0 150.0-160.1 72.7 33.0 -7.9 35 34 A Y E -BC 30 50A 0 15,-1.2 15,-2.1 -2,-0.3 2,-0.4 -0.951 14.1-150.1-138.4 162.4 74.5 34.3 -4.8 36 35 A A E -BC 29 49A 0 -7,-1.6 -7,-2.1 -2,-0.3 2,-0.4 -0.995 22.2-171.9-129.3 130.8 75.6 33.2 -1.4 37 36 A L E -BC 28 48A 3 11,-2.8 11,-1.9 -2,-0.4 2,-0.4 -0.970 12.3-170.9-125.0 136.9 75.9 35.9 1.3 38 37 A L E +BC 27 47A 0 -11,-3.0 -11,-2.4 -2,-0.4 2,-0.3 -0.994 12.5 178.6-126.2 130.6 77.2 35.8 4.8 39 38 A V E +BC 26 46A 0 7,-2.7 7,-3.1 -2,-0.4 2,-0.3 -0.933 1.9 177.8-127.6 145.4 76.7 38.8 7.1 40 39 A S E -BC 25 45A 4 -15,-2.4 -15,-2.8 -2,-0.3 5,-0.2 -0.998 29.7-164.7-146.1 147.1 77.7 39.4 10.8 41 40 A D - 0 0 43 3,-1.7 4,-0.1 -2,-0.3 -18,-0.1 0.085 63.5-102.0-107.6 19.7 77.5 42.1 13.4 42 41 A L S S+ 0 0 15 2,-0.5 329,-0.1 1,-0.1 3,-0.1 0.465 119.5 60.6 69.9 5.3 80.1 40.3 15.6 43 42 A Q S S+ 0 0 132 1,-0.5 323,-0.3 327,-0.1 2,-0.3 0.611 114.6 14.6-116.2 -47.8 77.3 39.0 17.9 44 43 A Q - 0 0 68 322,-0.1 -3,-1.7 319,-0.0 -1,-0.5 -0.866 65.9-142.5-128.0 159.5 75.2 37.0 15.4 45 44 A V E -C 40 0A 10 -2,-0.3 82,-1.9 -5,-0.2 2,-0.3 -0.983 15.3-167.0-123.7 134.9 75.8 35.7 11.9 46 45 A W E -CD 39 126A 6 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.3 -0.907 2.4-162.5-120.4 156.9 73.2 35.6 9.1 47 46 A H E -CD 38 125A 36 78,-3.1 78,-2.4 -2,-0.3 2,-0.3 -0.982 8.9-176.1-138.6 141.0 73.1 33.7 5.8 48 47 A E E -C 37 0A 12 -11,-1.9 -11,-2.8 -2,-0.3 2,-0.4 -0.984 0.4-178.1-135.8 138.7 71.2 33.8 2.4 49 48 A Q E +C 36 0A 85 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.999 11.9 177.0-127.7 128.9 71.5 31.6 -0.6 50 49 A V E -C 35 0A 4 -15,-2.1 -15,-1.2 -2,-0.4 2,-0.1 -0.983 16.0-153.5-132.5 146.9 69.4 32.2 -3.8 51 50 A D > - 0 0 64 -2,-0.3 4,-1.6 -17,-0.2 -17,-0.2 -0.308 44.3 -88.8 -99.3-170.9 69.1 30.7 -7.3 52 51 A T H > S+ 0 0 51 -19,-0.4 4,-2.4 1,-0.2 5,-0.1 0.828 123.3 58.4 -76.2 -33.8 67.9 32.4 -10.5 53 52 A S H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 108.2 47.5 -52.3 -44.3 64.2 31.7 -10.0 54 53 A V H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.889 110.0 52.8 -70.4 -38.5 64.4 33.6 -6.7 55 54 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.923 112.5 44.7 -59.2 -45.6 66.3 36.5 -8.4 56 55 A S H X S+ 0 0 50 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.926 115.2 48.0 -62.7 -50.5 63.5 36.7 -11.1 57 56 A Q H X S+ 0 0 120 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.939 117.4 39.6 -53.8 -57.8 60.7 36.5 -8.5 58 57 A R H X S+ 0 0 28 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.803 110.7 56.7 -73.0 -32.2 62.1 39.1 -6.2 59 58 A A H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.869 108.8 49.4 -64.6 -35.8 63.4 41.5 -8.9 60 59 A K H < S+ 0 0 132 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.821 111.3 50.0 -66.2 -37.9 59.7 41.6 -10.2 61 60 A E H < S+ 0 0 110 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 120.5 33.5 -65.5 -41.4 58.4 42.3 -6.6 62 61 A L H < S+ 0 0 46 -4,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.589 116.5 55.0 -94.6 -16.1 60.8 45.2 -5.9 63 62 A N < + 0 0 6 -4,-1.3 -1,-0.2 -5,-0.2 3,-0.1 -0.895 40.5 156.2-133.6 101.3 61.1 46.7 -9.4 64 63 A K S S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.0 0.706 73.9 65.9 -85.4 -25.6 58.2 47.9 -11.5 65 64 A R S S+ 0 0 173 52,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.567 110.6 9.6 -84.8 -9.0 60.2 50.4 -13.7 66 65 A L - 0 0 26 -3,-0.1 2,-0.3 -6,-0.0 -3,-0.1 -0.978 56.2-157.3-157.6 166.5 62.4 47.9 -15.5 67 66 A T + 0 0 97 -2,-0.3 -3,-0.0 -3,-0.0 -7,-0.0 -0.958 17.6 159.8-144.6 159.9 63.0 44.2 -16.2 68 67 A A - 0 0 35 -2,-0.3 -9,-0.1 -12,-0.1 5,-0.0 -0.962 48.1 -69.8-169.5 162.8 66.1 42.2 -17.3 69 68 A P >> - 0 0 89 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.344 47.8-113.2 -63.6 151.2 67.4 38.6 -17.3 70 69 A P H 3> S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.910 116.9 55.2 -46.6 -51.7 68.3 37.1 -13.8 71 70 A A H 3> S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.790 104.7 54.1 -51.8 -35.8 72.0 36.9 -14.7 72 71 A A H <> S+ 0 0 43 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.898 109.8 46.5 -70.6 -39.9 72.0 40.7 -15.6 73 72 A F H X S+ 0 0 5 -4,-1.6 4,-2.2 -3,-0.3 -2,-0.2 0.894 112.2 50.6 -62.5 -43.1 70.6 41.5 -12.1 74 73 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 109.0 52.7 -62.2 -39.2 73.2 39.1 -10.6 75 74 A C H X S+ 0 0 71 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.900 108.5 49.3 -59.6 -45.8 75.9 41.0 -12.6 76 75 A H H X S+ 0 0 21 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.920 108.4 52.9 -61.7 -49.2 74.7 44.4 -11.3 77 76 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.874 109.4 49.8 -51.1 -44.7 74.7 43.2 -7.6 78 77 A D H X S+ 0 0 50 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.931 109.3 51.4 -60.5 -48.8 78.4 42.0 -8.1 79 78 A N H < S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.777 114.6 45.7 -55.2 -33.2 79.3 45.5 -9.6 80 79 A L H X S+ 0 0 27 -4,-1.8 4,-0.7 2,-0.1 -2,-0.2 0.914 119.5 36.1 -75.3 -52.3 77.7 47.1 -6.5 81 80 A L H X S+ 0 0 20 -4,-2.8 4,-1.1 -5,-0.1 -2,-0.2 0.813 108.8 65.9 -76.5 -30.3 79.2 44.9 -3.8 82 81 A R H >X S+ 0 0 67 -4,-2.8 4,-1.1 -5,-0.2 3,-0.6 0.945 102.8 38.0 -61.9 -62.6 82.6 44.4 -5.4 83 82 A P H 3> S+ 0 0 59 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.856 116.5 52.8 -60.0 -38.0 84.3 47.9 -5.4 84 83 A L H 3< S+ 0 0 27 -4,-0.7 -68,-0.2 1,-0.2 -2,-0.2 0.700 102.5 60.7 -71.2 -24.9 82.8 48.9 -2.0 85 84 A L H << S+ 0 0 40 -4,-1.1 -69,-0.4 -3,-0.6 -1,-0.2 0.910 101.8 51.8 -59.4 -47.8 84.3 45.6 -0.5 86 85 A K H < S- 0 0 171 -4,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.829 133.4 -22.7 -68.5 -41.0 87.9 46.6 -1.4 87 86 A D < - 0 0 55 -4,-1.2 3,-0.4 -71,-0.1 -1,-0.3 -0.917 47.7-133.9-161.8 154.7 87.6 50.1 0.3 88 87 A A S S+ 0 0 51 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.069 90.9 89.8 -96.8 23.1 84.7 52.4 1.3 89 88 A A + 0 0 86 2,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.048 65.8 110.0 -97.1 21.1 86.7 55.4 -0.1 90 89 A H S S- 0 0 94 -3,-0.4 2,-1.0 -6,-0.1 -3,-0.0 -0.886 82.2-114.4-103.5 127.3 84.9 54.6 -3.4 91 90 A P + 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -7,-0.0 -0.420 47.9 169.6 -61.2 95.5 82.2 57.0 -4.7 92 91 A S - 0 0 50 -2,-1.0 3,-0.1 -4,-0.1 -8,-0.0 0.973 25.5-168.6 -82.6 -61.2 79.3 54.6 -4.4 93 92 A E + 0 0 181 1,-0.3 2,-0.4 18,-0.1 -1,-0.1 0.409 59.6 108.5 71.7 0.2 75.9 56.4 -5.0 94 93 A A - 0 0 12 17,-0.1 2,-0.3 -14,-0.1 -1,-0.3 -0.871 58.5-148.6-101.9 141.4 74.2 53.1 -3.6 95 94 A T E -E 110 0A 91 15,-2.8 15,-2.2 -2,-0.4 2,-0.4 -0.853 8.4-163.3-116.9 149.6 72.6 53.0 -0.2 96 95 A F E +E 109 0A 15 -2,-0.3 -76,-1.4 13,-0.2 2,-0.3 -0.985 14.3 159.7-130.4 137.1 72.2 50.2 2.4 97 96 A S E -E 108 0A 44 11,-1.9 11,-3.4 -2,-0.4 2,-0.3 -0.946 14.7-160.4-143.9 165.6 70.0 49.7 5.4 98 97 A C E -E 107 0A 50 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 6.7-171.6-145.9 154.3 68.9 46.7 7.5 99 98 A D E -E 106 0A 68 7,-1.4 7,-2.8 -2,-0.3 2,-0.3 -0.993 16.8-133.3-144.3 152.3 66.2 45.5 10.0 100 99 A C E +E 105 0A 79 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.834 16.4 179.3-113.7 142.5 65.6 42.4 12.2 101 100 A V E > -E 104 0A 94 3,-1.7 3,-1.0 -2,-0.3 2,-0.4 -0.832 68.3 -61.9-142.5 91.8 62.5 40.2 12.8 102 101 A A T 3 S- 0 0 99 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.535 124.8 -6.2 61.1-114.9 63.3 37.4 15.2 103 102 A D T 3 S+ 0 0 93 -2,-0.4 23,-2.1 -3,-0.1 2,-0.3 0.169 120.2 94.1 -96.4 17.1 66.0 35.2 13.6 104 103 A A E < -EF 101 125A 19 -3,-1.0 -3,-1.7 21,-0.2 2,-0.4 -0.845 50.9-168.3-110.5 143.3 65.9 37.2 10.3 105 104 A L E -EF 100 124A 3 19,-2.8 19,-2.9 -2,-0.3 2,-0.7 -0.997 8.9-156.8-126.5 127.9 67.9 40.2 8.9 106 105 A I E -EF 99 123A 25 -7,-2.8 -7,-1.4 -2,-0.4 2,-0.7 -0.911 3.4-163.5-106.7 114.4 66.9 42.1 5.9 107 106 A L E -EF 98 122A 3 15,-2.1 15,-2.9 -2,-0.7 2,-0.4 -0.854 13.4-160.3 -94.0 116.3 69.6 44.0 4.1 108 107 A R E -EF 97 121A 84 -11,-3.4 -11,-1.9 -2,-0.7 2,-0.4 -0.820 6.5-167.0-106.3 133.1 68.1 46.5 1.7 109 108 A V E -EF 96 120A 7 11,-2.8 11,-1.8 -2,-0.4 2,-0.4 -0.965 8.9-173.0-120.1 135.0 69.9 48.1 -1.2 110 109 A R E +EF 95 119A 84 -15,-2.2 -15,-2.8 -2,-0.4 2,-0.2 -0.998 29.6 132.6-119.1 121.6 68.9 51.1 -3.4 111 110 A S E - F 0 118A 4 7,-2.7 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121 120 A N E - F 0 108A 20 -2,-0.3 2,-0.6 -13,-0.2 -13,-0.2 -0.983 9.1-150.8-119.9 127.9 66.6 43.0 -0.6 122 121 A F E - F 0 107A 1 -15,-2.9 -15,-2.1 -2,-0.4 2,-1.0 -0.871 11.2-153.5 -92.9 118.5 68.7 40.2 0.9 123 122 A H E - F 0 106A 81 -2,-0.6 2,-0.3 -17,-0.2 -17,-0.2 -0.796 20.9-172.4 -96.5 96.5 66.5 38.0 3.2 124 123 A C E - F 0 105A 2 -19,-2.9 -19,-2.8 -2,-1.0 2,-0.3 -0.684 10.8-166.9 -98.0 139.9 69.0 36.6 5.7 125 124 A M E -DF 47 104A 117 -78,-2.4 -78,-3.1 -2,-0.3 -21,-0.2 -0.878 44.6 -74.3-116.9 154.6 68.3 34.0 8.3 126 125 A L E -D 46 0A 47 -23,-2.1 -80,-0.3 -2,-0.3 -23,-0.1 -0.237 59.4-111.9 -48.6 126.7 70.6 33.0 11.3 127 126 A A - 0 0 13 -82,-1.9 -82,-0.1 -88,-0.2 -1,-0.1 -0.293 29.9-104.8 -65.1 140.0 73.5 30.9 9.9 128 127 A S > - 0 0 53 1,-0.1 4,-2.0 -3,-0.1 3,-0.4 -0.291 31.0-113.6 -52.1 146.6 73.7 27.2 10.7 129 128 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.818 118.3 60.6 -52.7 -32.3 76.4 26.4 13.4 130 129 A S H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.877 105.6 45.4 -64.9 -39.7 78.3 24.6 10.6 131 130 A L H > S+ 0 0 20 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.863 113.3 49.6 -69.9 -39.7 78.5 27.8 8.5 132 131 A V H X>S+ 0 0 17 -4,-2.0 5,-1.8 2,-0.2 4,-1.7 0.918 115.0 45.8 -61.5 -42.4 79.6 29.8 11.6 133 132 A S H <>S+ 0 0 3 -4,-2.6 5,-2.6 143,-0.3 -2,-0.2 0.951 117.2 43.5 -63.5 -49.1 82.2 27.0 12.3 134 133 A Q H <5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 123.9 32.1 -66.6 -42.9 83.4 26.9 8.6 135 134 A H H <5S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.622 136.5 10.3 -93.5 -17.4 83.6 30.6 7.9 136 135 A L T X5S+ 0 0 4 -4,-1.7 4,-2.3 -5,-0.3 5,-0.3 0.674 120.8 43.5-127.8 -64.0 84.5 32.0 11.3 137 136 A I H > S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.897 113.8 49.9 -61.5 -42.7 89.7 29.9 10.1 140 139 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.864 113.6 47.2 -60.3 -38.6 90.1 32.3 13.1 141 140 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.950 112.5 48.4 -66.0 -51.0 91.6 29.5 15.1 142 141 A G H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.846 111.4 52.2 -52.7 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-38.1 108.1 31.8 17.1 153 152 A E H X S+ 0 0 54 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.883 110.5 47.6 -65.5 -41.1 110.0 32.2 13.8 154 153 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.843 109.3 54.2 -70.6 -33.0 110.7 35.9 14.5 155 154 A A H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 108.5 50.4 -62.8 -44.0 111.9 35.0 18.0 156 155 A T H X S+ 0 0 89 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.911 109.6 49.4 -58.6 -45.0 114.3 32.5 16.4 157 156 A L H X S+ 0 0 68 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.889 109.0 54.3 -61.8 -39.3 115.6 35.1 13.9 158 157 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 27,-0.2 0.886 103.9 52.8 -62.5 -45.5 116.1 37.5 16.9 159 158 A H H X S+ 0 0 71 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.838 109.4 50.8 -57.3 -36.9 118.3 35.1 18.9 160 159 A M H X S+ 0 0 100 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.856 108.2 51.4 -69.9 -38.4 120.5 34.7 15.7 161 160 A K H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.897 112.0 47.4 -59.3 -44.9 120.8 38.5 15.4 162 161 A D H X S+ 0 0 25 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.849 108.6 54.5 -66.0 -38.3 121.9 38.6 19.1 163 162 A L H X S+ 0 0 77 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.883 109.9 47.0 -60.6 -41.9 124.3 35.8 18.5 164 163 A E H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.871 112.1 50.4 -67.4 -39.5 125.9 37.8 15.7 165 164 A I H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.881 109.9 50.3 -62.2 -41.9 126.0 40.9 18.0 166 165 A Q H X S+ 0 0 99 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 105.2 58.9 -61.7 -42.9 127.6 38.8 20.7 167 166 A D H X S+ 0 0 48 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.872 108.0 44.2 -55.1 -44.2 130.2 37.6 18.1 168 167 A Y H ><>S+ 0 0 9 -4,-1.6 5,-1.9 2,-0.2 3,-0.8 0.931 113.7 50.6 -62.5 -49.1 131.3 41.2 17.4 169 168 A Q H ><5S+ 0 0 94 -4,-2.1 3,-1.3 1,-0.2 5,-0.2 0.895 109.5 50.3 -56.5 -43.7 131.4 42.1 21.1 170 169 A E H 3<5S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.631 105.8 57.1 -73.9 -16.4 133.6 39.0 22.0 171 170 A S T <<5S- 0 0 61 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.232 124.2 -97.1-100.9 11.2 136.1 39.8 19.3 172 171 A G T < 5S+ 0 0 43 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.402 80.0 135.4 96.2 0.1 136.8 43.3 20.6 173 172 A A S - 0 0 82 -2,-0.4 4,-2.5 1,-0.1 3,-0.2 -0.968 16.4-156.3-118.7 114.9 114.1 37.6 25.9 187 186 A E H > S+ 0 0 60 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.863 89.5 55.7 -60.9 -38.5 110.7 36.2 24.9 188 187 A N H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 113.3 41.0 -60.0 -43.0 109.3 36.0 28.5 189 188 A S H > S+ 0 0 50 -3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.859 112.4 55.4 -76.6 -34.2 109.8 39.7 29.1 190 189 A F H X S+ 0 0 26 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.947 113.5 42.7 -55.2 -48.7 108.7 40.6 25.6 191 190 A L H X S+ 0 0 70 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.945 113.5 49.1 -64.3 -52.1 105.4 38.7 26.3 192 191 A E H X S+ 0 0 96 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.902 114.2 45.7 -60.4 -39.4 104.8 40.1 29.8 193 192 A Q H X S+ 0 0 69 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.878 110.3 55.5 -69.2 -38.1 105.4 43.7 28.7 194 193 A F H X>S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.3 5,-2.3 0.929 107.8 47.5 -56.1 -50.5 103.2 43.2 25.7 195 194 A M H <5S+ 0 0 54 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.879 118.0 42.3 -61.2 -42.2 100.2 42.0 27.8 196 195 A I H <5S+ 0 0 107 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.953 131.3 20.0 -66.0 -53.5 100.6 44.9 30.2 197 196 A E H <5S+ 0 0 128 -4,-3.0 4,-0.2 -5,-0.2 -3,-0.2 0.831 134.6 23.5 -93.8 -38.3 101.3 47.7 27.7 198 197 A K T X5S+ 0 0 78 -4,-2.5 4,-2.4 -5,-0.5 3,-0.4 0.749 97.8 80.0-108.2 -27.9 100.0 46.6 24.3 199 198 A L H >4 S+ 0 0 177 -3,-0.4 3,-1.1 -4,-0.2 -2,-0.2 0.869 116.3 57.9 -81.4 -38.1 94.5 48.2 22.4 202 201 A A H 3< S+ 0 0 16 -4,-2.4 -3,-0.2 1,-0.2 -1,-0.2 0.822 107.7 46.3 -61.8 -37.0 95.9 45.4 20.1 203 202 A C T 3< S+ 0 0 9 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.2 0.417 80.5 133.0 -85.8 1.3 93.0 43.0 20.7 204 203 A S < - 0 0 71 -3,-1.1 4,-0.1 -5,-0.2 -3,-0.1 -0.413 34.1-174.5 -69.1 108.3 90.3 45.6 20.1 205 204 A I > + 0 0 10 -2,-0.5 3,-1.7 1,-0.1 6,-0.3 0.903 21.9 162.4 -60.2 -51.4 87.7 44.3 17.8 206 205 A G T 3 S- 0 0 48 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.331 73.0 -19.1 58.0-136.7 85.7 47.6 17.5 207 206 A D T 3 S- 0 0 86 1,-0.1 -1,-0.2 -183,-0.0 -2,-0.1 0.368 98.7-101.1 -83.0 4.5 83.3 47.7 14.5 208 207 A G S <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.1 3,-0.5 0.232 93.7 118.3 97.1 -11.5 85.3 44.9 12.8 209 208 A K H > + 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 69.1 58.3 -57.6 -41.5 87.2 47.2 10.5 210 209 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.903 107.4 48.9 -50.4 -45.2 90.6 46.3 12.0 211 210 A F H > S+ 0 0 1 -3,-0.5 4,-2.4 -6,-0.3 5,-0.3 0.947 113.7 45.1 -58.8 -53.8 89.9 42.6 11.0 212 211 A V H < S+ 0 0 16 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.825 119.8 41.0 -58.8 -35.8 88.9 43.5 7.4 213 212 A M H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.722 126.8 28.7 -91.1 -22.2 91.8 45.9 6.9 214 213 A N H < S+ 0 0 88 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.725 122.0 34.4-106.2 -29.3 94.6 43.8 8.6 215 214 A L S X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 -3,-0.1 0.299 76.8 99.8-125.3 11.1 93.8 40.1 8.4 216 215 A Q H > S+ 0 0 16 -4,-0.3 4,-2.7 -5,-0.3 5,-0.2 0.772 81.2 56.9 -77.7 -28.4 92.1 39.2 5.1 217 216 A D H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.939 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0.852 111.1 53.3 -68.4 -36.6 109.9 38.5 1.9 420 189 B F H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.959 112.4 45.0 -56.1 -52.2 109.5 36.9 5.4 421 190 B L H X S+ 0 0 70 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.927 113.2 49.6 -59.5 -47.9 105.7 36.9 5.0 422 191 B E H X S+ 0 0 126 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.948 112.6 46.9 -59.2 -48.3 105.8 35.7 1.4 423 192 B Q H X S+ 0 0 105 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.919 113.2 49.6 -58.8 -44.0 108.2 32.8 2.3 424 193 B F H X>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 4,-2.0 0.876 109.5 50.3 -63.3 -42.3 106.1 31.9 5.3 425 194 B M H <5S+ 0 0 53 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.899 118.4 38.9 -63.9 -41.2 102.8 31.8 3.4 426 195 B I H <5S+ 0 0 135 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.953 132.2 22.6 -72.3 -52.8 104.3 29.6 0.7 427 196 B E H <5S+ 0 0 114 -4,-3.1 -3,-0.2 -5,-0.2 4,-0.2 0.811 133.0 24.1 -89.7 -32.9 106.4 27.2 2.9 428 197 B K T >X5S+ 0 0 84 -4,-2.0 4,-2.5 -5,-0.4 3,-0.7 0.803 96.2 79.1-108.9 -38.5 104.9 27.3 6.4 429 198 B L H 3> + 0 0 8 -2,-0.3 3,-2.4 1,-0.2 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