==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 27-DEC-04 1YDX . COMPND 2 MOLECULE: TYPE I RESTRICTION ENZYME SPECIFICITY PROTEIN MG4 . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOPLASMA GENITALIUM; . AUTHOR B.MACHADO,O.QUIJADA,J.PINOL,I.FITA,E.QUEROL,X.CARPENA . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.3 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 . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 5 2 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 X 0 0 87 0, 0.0 12,-0.4 0, 0.0 372,-0.1 0.000 360.0 360.0 360.0 60.8 27.9 72.3 -6.0 2 2 A T - 0 0 96 370,-0.2 370,-0.3 368,-0.1 368,-0.1 -0.925 360.0-137.3-126.1 110.7 30.8 69.8 -5.3 3 3 A P - 0 0 9 0, 0.0 366,-0.2 0, 0.0 365,-0.1 -0.230 15.6-130.6 -50.9 144.3 30.1 66.6 -3.3 4 4 A K S S+ 0 0 182 364,-0.6 2,-0.5 366,-0.4 365,-0.2 0.710 100.8 51.5 -71.8 -26.2 32.7 65.7 -0.7 5 5 A L S S- 0 0 60 363,-3.2 2,-0.6 360,-0.1 -1,-0.2 -0.963 76.9-166.5-111.8 115.3 32.9 62.2 -2.1 6 6 A K - 0 0 141 -2,-0.5 3,-0.1 1,-0.2 363,-0.1 -0.875 15.6-179.2-104.8 119.4 33.5 62.1 -5.9 7 7 A L S S+ 0 0 64 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.803 76.0 16.8 -82.4 -27.1 33.0 58.9 -7.7 8 8 A N S S- 0 0 61 137,-0.0 3,-0.5 3,-0.0 -1,-0.2 -0.945 83.9-103.7-142.4 158.5 33.9 60.4 -11.1 9 9 A N S S+ 0 0 137 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.508 90.4 11.5 -84.0 148.7 35.7 63.5 -12.4 10 10 A N S S+ 0 0 165 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.761 73.7 168.8 61.6 34.2 34.2 66.6 -14.0 11 11 A I - 0 0 34 -3,-0.5 2,-0.8 1,-0.0 -1,-0.2 -0.657 30.6-137.5 -77.7 127.8 30.5 65.8 -13.0 12 12 A N - 0 0 127 -2,-0.4 129,-0.4 -10,-0.0 2,-0.4 -0.823 22.2-165.0 -88.1 109.3 28.3 68.9 -13.7 13 13 A W - 0 0 18 -2,-0.8 2,-0.3 -12,-0.4 127,-0.2 -0.797 9.8-179.7 -97.1 142.7 25.9 69.2 -10.7 14 14 A T E -A 139 0A 58 125,-3.5 125,-3.0 -2,-0.4 2,-0.4 -0.896 29.3-111.4-139.4 160.9 22.9 71.4 -10.9 15 15 A K E +A 138 0A 114 -2,-0.3 2,-0.4 123,-0.2 121,-0.1 -0.808 35.0 179.9 -90.7 135.1 19.9 72.5 -8.9 16 16 A R E -A 137 0A 66 121,-2.6 121,-3.1 -2,-0.4 2,-0.1 -0.999 25.6-123.2-137.3 136.0 16.4 71.3 -10.0 17 17 A T E > -A 136 0A 40 -2,-0.4 4,-0.6 119,-0.3 3,-0.4 -0.462 23.6-121.8 -71.8 151.1 13.0 72.0 -8.5 18 18 A I H >> S+ 0 0 0 117,-1.8 4,-2.7 114,-0.5 3,-1.3 0.900 114.7 59.1 -54.3 -41.8 10.9 69.0 -7.4 19 19 A D H 34 S+ 0 0 90 114,-2.8 -1,-0.2 1,-0.3 115,-0.1 0.826 100.7 54.4 -54.4 -41.6 8.2 70.3 -9.9 20 20 A S H 34 S+ 0 0 42 -3,-0.4 -1,-0.3 113,-0.3 -2,-0.2 0.654 121.5 28.7 -69.8 -15.3 10.7 70.1 -12.8 21 21 A L H << S+ 0 0 2 -3,-1.3 73,-2.4 -4,-0.6 74,-0.4 0.669 115.8 44.8-118.1 -28.7 11.4 66.3 -12.0 22 22 A F E < -B 93 0B 3 -4,-2.7 2,-0.5 71,-0.2 71,-0.2 -0.869 60.3-133.6-127.1 155.8 8.3 64.8 -10.4 23 23 A D E -B 92 0B 91 69,-3.4 69,-3.0 -2,-0.3 2,-0.4 -0.953 32.9-148.3-102.2 125.4 4.5 64.5 -10.5 24 24 A L E +B 91 0B 26 -2,-0.5 2,-0.3 67,-0.2 67,-0.2 -0.794 23.6 165.7-102.7 131.2 3.0 65.0 -7.1 25 25 A K E -B 90 0B 132 65,-1.8 65,-3.0 -2,-0.4 -2,-0.0 -0.928 27.5-136.9-143.4 123.3 -0.2 63.4 -5.7 26 26 A K E -B 89 0B 115 -2,-0.3 63,-0.2 63,-0.3 60,-0.2 -0.333 30.3-116.1 -64.4 154.3 -1.4 63.2 -2.1 27 27 A G - 0 0 17 61,-2.4 58,-0.3 58,-1.3 2,-0.3 0.167 33.4 -98.4 -78.2-159.2 -2.8 59.8 -1.0 28 28 A E - 0 0 94 56,-2.9 58,-0.3 59,-0.0 2,-0.3 -0.862 28.7 -88.7-131.6 160.3 -6.3 59.1 0.1 29 29 A X - 0 0 98 -2,-0.3 2,-0.7 56,-0.2 55,-0.1 -0.478 35.2-152.0 -57.2 120.7 -8.5 58.7 3.1 30 30 A L - 0 0 0 -2,-0.3 5,-0.1 53,-0.1 -1,-0.0 -0.932 19.6-127.3-101.9 112.4 -8.6 55.0 4.3 31 31 A E > - 0 0 101 -2,-0.7 3,-1.9 1,-0.1 4,-0.3 -0.294 16.7-124.2 -57.7 138.4 -11.9 54.3 6.0 32 32 A K G > S+ 0 0 148 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.795 108.6 60.0 -56.8 -39.0 -11.4 52.8 9.5 33 33 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.635 100.6 58.2 -66.0 -14.3 -13.5 49.6 8.8 34 34 A L G < S+ 0 0 52 -3,-1.9 2,-0.6 20,-0.0 21,-0.5 0.475 86.6 94.7 -90.8 -5.4 -10.9 48.9 6.1 35 35 A I < + 0 0 52 -3,-1.5 19,-0.2 -4,-0.3 3,-0.0 -0.806 49.8 164.9 -91.5 119.7 -8.0 48.9 8.6 36 36 A T > - 0 0 44 17,-2.1 3,-2.0 -2,-0.6 17,-0.1 -0.999 42.0-136.4-138.3 131.5 -7.1 45.4 9.9 37 37 A P T 3 S+ 0 0 117 0, 0.0 17,-0.1 0, 0.0 -1,-0.1 0.752 109.6 53.2 -55.8 -25.1 -4.0 44.2 11.8 38 38 A E T 3 S+ 0 0 177 15,-0.1 2,-0.2 -3,-0.0 16,-0.1 0.130 84.0 136.0 -94.6 17.6 -4.0 41.1 9.6 39 39 A G < - 0 0 4 -3,-2.0 16,-0.2 1,-0.1 15,-0.2 -0.424 59.8-130.8 -76.3 139.8 -4.1 43.2 6.3 40 40 A K S S+ 0 0 140 -2,-0.2 15,-0.2 13,-0.1 2,-0.2 0.869 85.5 47.4 -50.7 -44.5 -1.8 42.3 3.4 41 41 A Y E S-E 54 0C 36 13,-3.4 13,-2.1 15,-0.1 2,-0.3 -0.599 80.8-112.0-109.1 159.9 -0.5 45.9 2.9 42 42 A E E -E 53 0C 55 39,-0.5 41,-2.8 11,-0.2 2,-0.7 -0.651 19.4-138.9 -83.6 142.4 0.9 48.7 5.0 43 43 A Y E -f 83 0D 15 9,-2.7 8,-3.0 -2,-0.3 2,-0.8 -0.930 20.3-171.1-102.1 105.7 -1.0 52.0 5.5 44 44 A F E +f 84 0D 18 39,-2.1 41,-2.3 -2,-0.7 44,-0.1 -0.881 28.5 133.9-103.5 107.9 1.6 54.8 5.2 45 45 A N S S- 0 0 32 -2,-0.8 24,-0.2 4,-0.3 44,-0.1 0.413 76.7 -19.7-115.5-107.5 0.0 58.1 6.3 46 46 A G S S+ 0 0 16 21,-0.1 25,-2.8 42,-0.1 2,-0.3 0.456 111.5 83.8 -91.5 -1.2 1.7 60.6 8.6 47 47 A G S S- 0 0 17 2,-0.3 4,-0.1 23,-0.2 -2,-0.0 -0.683 73.3-134.1-108.6 159.1 4.2 58.2 10.2 48 48 A V S S+ 0 0 58 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.865 107.1 48.3 -66.2 -40.2 7.7 56.8 9.6 49 49 A K S S- 0 0 170 1,-0.2 -4,-0.3 -3,-0.0 -2,-0.3 -0.566 111.0 -87.7 -90.6 163.4 6.0 53.5 10.7 50 50 A N - 0 0 53 -2,-0.2 -6,-0.2 -6,-0.1 -1,-0.2 -0.200 21.4-139.1 -66.0 163.9 2.7 52.5 9.2 51 51 A S S S- 0 0 64 -8,-3.0 2,-0.2 1,-0.4 -7,-0.1 -0.005 75.2 -50.6-108.1 22.1 -0.6 53.6 10.8 52 52 A G - 0 0 17 -9,-0.3 -9,-2.7 -15,-0.1 -1,-0.4 -0.771 63.3 -87.2 134.1-179.7 -2.0 50.2 10.3 53 53 A R E +E 42 0C 86 -2,-0.2 -17,-2.1 -11,-0.2 2,-0.3 -0.837 34.7 176.4-125.1 162.6 -2.5 47.5 7.7 54 54 A T E -E 41 0C 0 -13,-2.1 -13,-3.4 -2,-0.3 -19,-0.1 -0.978 41.6-121.2-155.8 166.8 -5.2 46.8 5.0 55 55 A D S S+ 0 0 104 -21,-0.5 2,-0.3 -2,-0.3 -20,-0.1 0.394 91.5 82.7 -91.2 -0.6 -6.2 44.6 2.2 56 56 A K - 0 0 110 -22,-0.3 2,-0.3 -15,-0.1 -2,-0.1 -0.785 55.1-175.4-101.7 150.0 -6.3 47.6 -0.1 57 57 A F + 0 0 74 -2,-0.3 26,-0.3 26,-0.1 3,-0.1 -0.987 16.9 176.6-137.2 150.3 -3.5 49.3 -1.9 58 58 A N + 0 0 51 24,-2.3 2,-0.4 -2,-0.3 25,-0.2 0.342 69.9 58.4-129.0 1.1 -3.4 52.5 -4.1 59 59 A T B S-G 82 0E 14 23,-1.9 23,-2.8 4,-0.0 -1,-0.2 -0.999 75.8-131.0-138.2 126.9 0.3 52.8 -4.8 60 60 A F - 0 0 143 -2,-0.4 3,-0.3 21,-0.2 18,-0.2 -0.381 38.0 -90.3 -71.8 155.2 2.6 50.2 -6.6 61 61 A K S S+ 0 0 115 1,-0.2 18,-0.2 18,-0.2 -1,-0.1 -0.118 109.0 43.0 -52.6 162.6 6.0 49.2 -5.1 62 62 A N S S+ 0 0 83 16,-3.6 2,-0.4 1,-0.2 -1,-0.2 0.858 82.3 130.6 60.3 36.7 9.0 51.2 -6.2 63 63 A T - 0 0 14 15,-0.4 15,-1.8 -3,-0.3 2,-0.3 -0.981 54.2-131.2-115.2 132.8 7.2 54.6 -5.9 64 64 A I E -CD 77 91B 1 27,-0.7 27,-3.1 -2,-0.4 2,-0.3 -0.650 27.1-176.3 -77.2 139.6 8.8 57.4 -3.9 65 65 A S E -CD 76 90B 0 11,-2.2 11,-2.6 -2,-0.3 2,-0.4 -0.956 16.2-156.9-135.1 156.7 6.8 59.3 -1.3 66 66 A V E -CD 75 89B 0 23,-2.8 23,-2.0 -2,-0.3 2,-0.3 -1.000 26.0-121.7-128.7 131.3 7.4 62.3 1.0 67 67 A I E + D 0 88B 0 7,-2.1 6,-2.9 -2,-0.4 21,-0.3 -0.594 29.9 175.4 -73.0 127.2 5.4 62.8 4.3 68 68 A V + 0 0 2 19,-2.4 59,-3.1 -2,-0.3 2,-0.3 0.309 66.8 36.9-117.5 3.7 3.6 66.2 4.1 69 69 A G B S+H 126 0F 1 18,-1.5 2,-0.7 57,-0.2 -1,-0.3 -0.931 117.7 5.0-151.0 135.2 1.6 66.0 7.4 70 70 A G S S+ 0 0 42 55,-2.1 2,-1.5 -2,-0.3 55,-0.2 -0.849 134.9 24.0 99.8-109.3 2.8 64.5 10.7 71 71 A S S > S- 0 0 58 -25,-2.8 3,-1.4 -2,-0.7 -4,-0.3 -0.490 96.6-160.7 -89.5 65.7 6.4 63.4 10.5 72 72 A C T 3 + 0 0 1 -2,-1.5 -4,-0.2 1,-0.2 47,-0.1 -0.135 60.4 26.0 -59.9 137.6 6.9 65.9 7.7 73 73 A G T 3 S+ 0 0 0 -6,-2.9 -1,-0.2 1,-0.3 43,-0.2 0.102 76.8 142.5 104.6 -19.3 9.8 65.6 5.2 74 74 A Y < - 0 0 59 -3,-1.4 -7,-2.1 41,-0.1 2,-0.4 -0.387 38.1-151.0 -64.5 124.2 10.4 61.8 5.5 75 75 A V E -C 66 0B 0 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.845 16.1-176.6-102.9 129.4 11.3 60.3 2.2 76 76 A R E -C 65 0B 21 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.5 -0.931 24.4-161.9-126.7 143.9 10.4 56.6 1.4 77 77 A L E -C 64 0B 33 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.930 28.0-147.4-118.3 103.1 11.0 54.2 -1.5 78 78 A A - 0 0 8 -15,-1.8 -16,-3.6 -2,-0.5 -15,-0.4 -0.501 16.7-169.8 -71.9 132.7 8.4 51.5 -0.9 79 79 A D S S+ 0 0 73 -18,-0.2 2,-0.3 -2,-0.2 -18,-0.2 0.543 73.8 50.6 -98.1 -1.9 9.5 48.0 -2.0 80 80 A K S S- 0 0 133 -20,-0.1 -18,-0.1 -19,-0.1 -39,-0.0 -0.918 98.3 -93.0-124.8 150.4 5.9 46.6 -1.6 81 81 A N + 0 0 38 -2,-0.3 -39,-0.5 -20,-0.1 2,-0.3 -0.294 58.6 177.3 -49.1 144.7 2.5 47.8 -2.9 82 82 A F B -G 59 0E 2 -23,-2.8 -24,-2.3 -41,-0.1 -23,-1.9 -0.952 38.1-103.6-152.5 169.6 0.9 50.0 -0.3 83 83 A F E -f 43 0D 11 -41,-2.8 -39,-2.1 -2,-0.3 2,-0.5 -0.891 34.0-155.4-101.3 107.9 -1.9 52.3 0.8 84 84 A C E -f 44 0D 0 -2,-0.8 -56,-2.9 -41,-0.2 -39,-0.2 -0.727 13.0-154.3 -82.9 120.8 -0.9 55.9 0.6 85 85 A G > - 0 0 0 -41,-2.3 3,-1.3 -2,-0.5 -58,-1.3 -0.209 31.3 -92.5 -89.4-177.4 -2.8 58.2 3.0 86 86 A Q T 3 S+ 0 0 111 -58,-0.3 -57,-0.1 1,-0.3 -41,-0.1 0.649 120.9 55.7 -77.7 -20.3 -3.7 61.9 2.9 87 87 A S T 3 S+ 0 0 36 -59,-0.1 -19,-2.4 -61,-0.1 -18,-1.5 0.280 102.2 72.0 -88.4 4.2 -0.6 63.0 5.0 88 88 A N E < - D 0 67B 0 -3,-1.3 -61,-2.4 -21,-0.3 2,-0.4 -0.923 67.0-158.2-123.6 144.1 1.7 61.3 2.5 89 89 A C E -BD 26 66B 0 -23,-2.0 -23,-2.8 -2,-0.3 2,-0.3 -0.989 9.1-140.7-127.4 130.6 2.5 62.4 -1.1 90 90 A T E -BD 25 65B 4 -65,-3.0 -65,-1.8 -2,-0.4 2,-0.5 -0.671 7.9-154.4 -87.8 148.4 3.8 60.3 -4.0 91 91 A L E -BD 24 64B 2 -27,-3.1 -27,-0.7 -2,-0.3 2,-0.4 -0.935 12.1-167.1-124.0 105.2 6.4 61.7 -6.4 92 92 A N E -B 23 0B 70 -69,-3.0 -69,-3.4 -2,-0.5 -29,-0.1 -0.793 27.7-108.6 -95.0 136.2 6.3 60.1 -9.7 93 93 A L E -B 22 0B 37 -2,-0.4 -71,-0.2 -71,-0.2 -1,-0.1 -0.330 17.0-154.2 -59.1 133.2 9.2 60.6 -12.2 94 94 A L S S+ 0 0 90 -73,-2.4 -1,-0.1 1,-0.3 -72,-0.1 0.836 88.5 16.4 -76.2 -34.2 8.2 62.8 -15.2 95 95 A D >> - 0 0 76 -74,-0.4 4,-1.5 1,-0.1 3,-1.3 -0.766 60.2-170.5-146.6 92.8 10.9 61.2 -17.4 96 96 A P T 34 S+ 0 0 89 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.715 89.7 59.7 -49.3 -27.8 12.5 57.7 -16.4 97 97 A L T 34 S+ 0 0 145 1,-0.2 3,-0.1 3,-0.1 46,-0.1 0.767 109.2 39.6 -78.3 -27.5 15.1 58.2 -19.2 98 98 A E T <4 S+ 0 0 58 -3,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.736 123.9 41.5 -84.1 -24.1 16.5 61.5 -17.9 99 99 A L S < S- 0 0 3 -4,-1.5 2,-0.3 -78,-0.1 -1,-0.2 -0.958 72.5-136.6-141.0 117.5 16.3 60.3 -14.3 100 100 A D > - 0 0 36 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.517 19.9-138.2 -68.9 131.5 17.1 57.1 -12.5 101 101 A L H > S+ 0 0 54 -2,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.940 102.8 44.9 -55.6 -54.8 14.4 56.2 -9.9 102 102 A K H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 113.6 50.1 -60.9 -39.8 16.8 55.0 -7.2 103 103 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 108.4 54.0 -60.7 -44.6 19.1 58.1 -7.8 104 104 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.931 106.7 52.8 -55.5 -43.8 16.0 60.3 -7.5 105 105 A Y H X S+ 0 0 24 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.951 111.8 43.5 -59.4 -50.9 15.2 58.7 -4.2 106 106 A Y H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.834 109.8 56.2 -61.4 -36.6 18.7 59.4 -2.8 107 107 A A H < S+ 0 0 2 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.901 114.8 39.5 -62.8 -43.9 18.8 62.9 -4.1 108 108 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.928 114.0 54.3 -68.0 -47.9 15.6 63.6 -2.2 109 109 A K H >< S+ 0 0 30 -4,-3.2 3,-1.3 1,-0.3 -2,-0.2 0.828 103.2 56.3 -57.1 -37.8 16.7 61.6 0.8 110 110 A S T 3< S+ 0 0 31 -4,-2.4 -1,-0.3 1,-0.2 3,-0.2 0.656 108.2 48.5 -66.9 -17.2 19.9 63.6 1.1 111 111 A Q T X> S+ 0 0 9 -3,-1.5 4,-1.8 -4,-0.4 3,-0.6 0.184 75.3 119.3-108.9 14.4 17.9 66.8 1.4 112 112 A Q H <> S+ 0 0 39 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.840 72.5 52.4 -51.9 -40.5 15.5 65.4 4.0 113 113 A E H 3> S+ 0 0 156 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 109.9 49.5 -65.4 -38.6 16.4 68.1 6.6 114 114 A R H <4 S+ 0 0 50 -3,-0.6 4,-0.4 2,-0.2 -1,-0.2 0.780 111.3 49.2 -67.9 -33.8 15.7 70.9 4.1 115 115 A I H >< S+ 0 0 0 -4,-1.8 3,-1.4 2,-0.2 4,-0.5 0.920 108.7 52.6 -67.7 -48.8 12.3 69.2 3.3 116 116 A E H >< S+ 0 0 73 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.897 101.9 61.9 -48.5 -45.1 11.5 69.0 7.0 117 117 A A T 3< S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.669 90.6 67.5 -58.9 -25.3 12.2 72.8 7.2 118 118 A L T < S+ 0 0 41 -3,-1.4 10,-0.3 -4,-0.4 -1,-0.3 0.737 81.4 105.0 -62.9 -28.6 9.4 73.5 4.8 119 119 A A < - 0 0 20 -3,-1.9 2,-0.4 -4,-0.5 8,-0.2 -0.220 62.5-143.5 -58.4 143.2 6.8 72.4 7.5 120 120 A F B +I 126 0F 124 6,-2.5 6,-2.0 2,-0.0 -2,-0.0 -0.886 66.3 20.7 -99.2 145.2 4.6 74.8 9.5 121 121 A G - 0 0 50 -2,-0.4 4,-0.1 4,-0.2 5,-0.1 -0.029 62.3-134.5 87.5 166.9 3.9 74.0 13.2 122 122 A T S S+ 0 0 129 2,-0.2 3,-0.3 3,-0.1 -1,-0.0 0.653 99.5 32.7-120.0 -52.8 5.8 71.6 15.6 123 123 A T S S+ 0 0 144 1,-0.3 2,-0.5 0, 0.0 -2,-0.1 0.878 136.5 27.3 -76.7 -40.4 3.3 69.5 17.4 124 124 A I S S- 0 0 139 2,-0.0 2,-0.4 -55,-0.0 -1,-0.3 -0.961 89.5-174.5-120.5 110.3 0.9 69.4 14.4 125 125 A Q + 0 0 47 -2,-0.5 -55,-2.1 -3,-0.3 2,-0.4 -0.851 9.4 177.4-111.6 139.2 3.1 69.9 11.3 126 126 A N B -HI 69 120F 88 -6,-2.0 -6,-2.5 -2,-0.4 2,-0.5 -0.994 18.8-152.3-140.1 146.1 2.2 70.3 7.6 127 127 A I - 0 0 7 -59,-3.1 2,-0.3 -2,-0.4 -8,-0.1 -0.961 22.9-133.8-107.6 129.0 3.9 70.8 4.3 128 128 A R >> - 0 0 135 -2,-0.5 4,-1.9 -10,-0.3 3,-0.8 -0.642 14.9-132.0 -76.3 138.8 2.0 72.6 1.5 129 129 A I H 3> S+ 0 0 36 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.888 105.7 57.3 -60.8 -39.1 2.3 70.9 -1.8 130 130 A S H 3> S+ 0 0 70 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.797 106.9 49.5 -65.2 -29.0 3.1 74.1 -3.7 131 131 A D H <> S+ 0 0 29 -3,-0.8 4,-1.0 2,-0.2 3,-0.4 0.871 108.5 52.3 -72.2 -41.4 6.1 74.6 -1.3 132 132 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -114,-0.5 0.940 106.1 54.6 -58.3 -46.8 7.4 71.1 -1.9 133 133 A K H 3< S+ 0 0 68 -4,-2.3 -114,-2.8 1,-0.2 -113,-0.3 0.758 107.1 51.3 -55.3 -34.2 7.3 71.6 -5.7 134 134 A E H 3< S+ 0 0 127 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.658 83.0 109.7 -81.5 -22.7 9.5 74.7 -5.4 135 135 A L << - 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0 0 36 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.926 24.3-156.9 63.2 48.8 12.8 19.9 28.1 185 185 A D >< - 0 0 57 -5,-2.7 4,-2.8 1,-0.1 5,-0.2 -0.435 9.6-142.0 -55.1 120.5 10.5 19.6 25.1 186 186 A E H > S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 98.8 48.2 -53.7 -55.4 10.5 15.9 24.3 187 187 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.834 114.3 49.0 -55.1 -35.1 10.4 16.3 20.4 188 188 A F H > S+ 0 0 10 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.919 110.1 48.8 -73.1 -47.6 13.2 18.9 20.7 189 189 A L H <>S+ 0 0 3 -4,-2.8 5,-2.4 1,-0.2 6,-0.4 0.846 112.3 51.3 -59.4 -35.0 15.4 16.7 22.9 190 190 A S H ><5S+ 0 0 70 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.970 112.0 44.2 -64.1 -52.0 14.8 13.8 20.5 191 191 A H H 3<5S+ 0 0 138 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.849 118.9 42.3 -65.4 -37.9 15.8 15.8 17.4 192 192 A W T 3<5S- 0 0 79 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.319 110.2-119.1 -94.6 7.7 18.9 17.4 19.0 193 193 A K T < 5S+ 0 0 148 -3,-1.2 3,-0.2 -4,-0.3 -3,-0.2 0.839 73.9 129.4 55.1 42.1 20.0 14.1 20.7 194 194 A L > < + 0 0 0 -5,-2.4 3,-1.1 -6,-0.2 4,-0.4 -0.187 16.1 126.9-114.7 37.1 19.7 15.6 24.2 195 195 A E T >> + 0 0 103 -6,-0.4 3,-1.3 1,-0.2 4,-0.5 0.794 63.3 71.1 -66.8 -27.9 17.6 12.8 25.8 196 196 A A H >> S+ 0 0 38 1,-0.2 4,-2.4 -3,-0.2 3,-0.6 0.775 87.5 64.6 -57.5 -30.2 20.2 12.5 28.6 197 197 A L H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.808 86.8 71.6 -60.8 -31.6 19.0 16.0 30.0 198 198 A Q H <4 S+ 0 0 92 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.874 115.8 21.1 -55.9 -41.3 15.5 14.5 30.7 199 199 A S H << S+ 0 0 101 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.802 129.4 47.5 -92.8 -36.6 17.0 12.5 33.6 200 200 A Q H < S+ 0 0 97 -4,-2.4 2,-0.4 2,-0.0 129,-0.3 0.657 82.8 97.4 -89.5 -16.3 20.1 14.5 34.3 201 201 A X < + 0 0 33 -4,-2.7 2,-0.3 -5,-0.2 127,-0.2 -0.601 44.0 146.6 -85.6 129.7 19.1 18.2 34.4 202 202 A H E -J 327 0G 106 125,-2.7 125,-2.1 -2,-0.4 2,-0.3 -0.881 46.5 -80.0-146.0 177.8 18.4 19.8 37.9 203 203 A E E +J 326 0G 103 -2,-0.3 2,-0.3 123,-0.2 121,-0.1 -0.629 40.5 172.6 -88.2 139.6 18.8 23.1 39.7 204 204 A I E -J 325 0G 20 121,-2.4 121,-2.8 -2,-0.3 2,-0.3 -0.949 32.5-114.3-132.6 157.7 22.0 24.5 41.2 205 205 A T E > -J 324 0G 45 -2,-0.3 3,-1.6 119,-0.2 4,-0.5 -0.672 26.2-121.6 -84.2 149.3 22.8 27.9 42.7 206 206 A L G >> S+ 0 0 0 117,-2.5 4,-2.7 114,-0.3 3,-1.7 0.859 108.5 65.0 -57.6 -32.9 25.3 30.1 40.9 207 207 A G G 34 S+ 0 0 34 114,-2.2 -1,-0.3 1,-0.3 115,-0.1 0.625 93.3 62.4 -70.3 -13.2 27.7 30.1 44.0 208 208 A E G <4 S+ 0 0 114 -3,-1.6 -1,-0.3 113,-0.3 -2,-0.2 0.680 119.7 20.9 -81.8 -19.5 28.2 26.4 43.6 209 209 A I T <4 S+ 0 0 7 -3,-1.7 74,-3.1 -4,-0.5 75,-0.4 0.590 122.0 49.4-125.1 -17.8 29.9 26.7 40.2 210 210 A F E < -K 282 0H 1 -4,-2.7 2,-0.3 72,-0.3 -1,-0.2 -0.904 63.0-142.9-121.4 151.8 31.0 30.3 39.9 211 211 A N E -K 281 0H 85 70,-2.4 70,-2.4 -2,-0.3 2,-0.3 -0.854 25.5-142.3-102.6 150.0 33.0 32.7 42.1 212 212 A F E -K 280 0H 45 -2,-0.3 2,-0.3 68,-0.2 68,-0.2 -0.862 18.9-178.7-117.0 142.8 31.9 36.4 42.1 213 213 A K E -K 279 0H 51 66,-1.4 66,-3.0 -2,-0.3 2,-0.2 -0.988 23.2-132.4-133.7 137.6 33.8 39.7 42.2 214 214 A S E -K 278 0H 58 -2,-0.3 64,-0.2 64,-0.2 61,-0.1 -0.596 42.0 -84.1 -83.4 151.8 32.3 43.1 42.3 215 215 A G - 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0 0 1 -2,-0.3 -127,-0.1 -127,-0.2 6,-0.1 -0.982 24.5-140.1-134.7 142.3 23.8 19.1 34.3 329 329 A K S S+ 0 0 148 -2,-0.4 2,-0.2 -129,-0.3 -1,-0.1 0.886 74.5 93.1 -73.4 -39.3 27.2 17.9 35.7 330 330 A S > - 0 0 51 1,-0.1 4,-2.2 2,-0.1 5,-0.1 -0.375 60.5-156.3 -64.2 119.7 28.6 16.6 32.4 331 331 A F H > S+ 0 0 56 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 96.2 52.7 -54.7 -54.1 30.8 19.2 30.5 332 332 A Q H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.836 112.5 46.5 -51.1 -37.9 30.3 17.5 27.1 333 333 A L H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.825 108.4 54.1 -79.5 -35.2 26.5 17.7 27.8 334 334 A Q H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.937 114.2 43.6 -55.8 -47.8 26.6 21.4 28.9 335 335 A R H X S+ 0 0 87 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.891 111.4 52.1 -69.3 -41.8 28.4 22.1 25.6 336 336 A K H < S+ 0 0 97 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.915 120.1 34.6 -61.3 -48.5 26.1 20.0 23.5 337 337 A A H >X S+ 0 0 0 -4,-2.1 3,-1.2 2,-0.1 4,-0.8 0.960 119.5 49.7 -66.9 -54.9 22.9 21.7 24.9 338 338 A G H >X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.3 3,-0.5 0.842 102.0 61.8 -56.3 -39.7 24.4 25.2 25.3 339 339 A K H 3X S+ 0 0 90 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.729 93.7 63.5 -62.4 -29.3 25.9 25.4 21.8 340 340 A I H <4 S+ 0 0 23 -3,-1.2 4,-0.4 -4,-0.4 -1,-0.2 0.916 117.4 27.4 -64.9 -44.8 22.4 25.2 20.1 341 341 A V H XX S+ 0 0 2 -4,-0.8 4,-1.9 -3,-0.5 3,-0.8 0.911 120.0 55.8 -79.4 -48.7 21.3 28.4 21.7 342 342 A F H 3X S+ 0 0 6 -4,-3.1 4,-2.2 1,-0.3 -3,-0.2 0.827 99.7 57.7 -63.9 -37.9 24.7 30.1 22.1 343 343 A L H 3X S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.838 108.9 48.7 -59.1 -32.6 25.7 29.8 18.3 344 344 A L H <> S+ 0 0 18 -3,-0.8 4,-3.1 -4,-0.4 -2,-0.2 0.888 108.6 53.3 -72.9 -39.6 22.4 31.8 17.6 345 345 A D H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 111.0 46.0 -56.2 -44.4 23.3 34.4 20.2 346 346 A Q H X S+ 0 0 53 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 113.3 49.5 -69.0 -44.2 26.8 34.9 18.6 347 347 A K H X S+ 0 0 84 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.918 112.7 47.8 -55.2 -48.0 25.2 35.1 15.1 348 348 A L H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.882 109.0 54.1 -62.8 -40.5 22.7 37.7 16.4 349 349 A D H X S+ 0 0 61 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.883 109.8 45.9 -61.4 -44.9 25.4 39.7 18.1 350 350 A Q H X S+ 0 0 131 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.892 112.5 52.2 -62.7 -45.9 27.5 40.0 14.8 351 351 A Y H X S+ 0 0 29 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.905 110.3 47.0 -57.1 -45.5 24.3 40.9 12.9 352 352 A K H X S+ 0 0 87 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.847 112.1 50.5 -66.6 -36.9 23.4 43.7 15.3 353 353 A K H X S+ 0 0 154 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.924 112.4 46.3 -64.5 -49.2 26.9 45.0 15.3 354 354 A E H X S+ 0 0 71 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.918 112.1 51.4 -59.6 -46.2 27.0 45.1 11.5 355 355 A L H X S+ 0 0 53 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.924 112.4 45.6 -58.4 -48.1 23.5 46.7 11.3 356 356 A S H X S+ 0 0 74 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.922 115.2 48.3 -60.2 -45.2 24.6 49.5 13.7 357 357 A S H X S+ 0 0 62 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.902 113.1 45.6 -62.3 -46.6 27.9 50.0 11.8 358 358 A L H X S+ 0 0 26 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.740 105.2 61.0 -72.9 -28.2 26.4 50.1 8.3 359 359 A T H X S+ 0 0 45 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.956 109.1 43.6 -60.2 -51.5 23.6 52.5 9.4 360 360 A V H X S+ 0 0 92 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.916 115.6 47.8 -58.5 -46.1 26.3 55.0 10.4 361 361 A I H X S+ 0 0 65 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.932 110.9 51.1 -63.9 -44.0 28.3 54.4 7.2 362 362 A R H X S+ 0 0 50 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.914 110.7 48.4 -60.5 -45.7 25.2 54.7 4.9 363 363 A D H X S+ 0 0 83 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.887 112.5 50.2 -59.4 -40.8 24.3 58.1 6.6 364 364 A T H X S+ 0 0 65 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.915 113.3 44.2 -63.6 -45.2 27.9 59.3 6.1 365 365 A L H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.843 108.8 56.5 -70.0 -41.0 28.0 58.3 2.4 366 366 A L H X S+ 0 0 19 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.938 111.0 44.4 -57.0 -48.1 24.6 59.7 1.6 367 367 A K H >< S+ 0 0 147 -4,-1.7 3,-0.6 1,-0.2 -363,-0.2 0.911 117.5 44.4 -61.2 -43.1 25.7 63.1 2.9 368 368 A K H 3< S+ 0 0 83 -4,-1.8 -363,-3.2 1,-0.2 -364,-0.6 0.712 105.7 60.5 -77.9 -24.8 29.1 63.0 1.1 369 369 A L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 -365,-0.2 -362,-0.1 0.599 102.5 56.2 -77.1 -17.5 27.9 61.8 -2.3 370 370 A F S << S- 0 0 4 -4,-0.6 -366,-0.4 -3,-0.6 -368,-0.1 -0.905 95.8 -95.7-119.4 144.7 25.5 64.8 -2.9 371 371 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.240 42.6-116.3 -52.3 140.8 26.3 68.6 -3.0 372 372 A D - 0 0 97 -370,-0.3 -370,-0.2 1,-0.1 -261,-0.1 -0.744 31.1-177.5 -84.5 133.4 25.6 70.3 0.3 373 373 A X 0 0 34 -2,-0.4 -1,-0.1 -372,-0.1 -237,-0.1 0.254 360.0 360.0-117.5 9.4 22.8 72.8 -0.0 374 374 A T 0 0 131 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.381 360.0 360.0 -98.4 360.0 22.7 74.3 3.5