==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION/RECOMBINATION 06-DEC-06 2O5V . COMPND 2 MOLECULE: DNA REPLICATION AND REPAIR PROTEIN RECF; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.KOROLEV,O.KOROLEVA . 358 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 14.2 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 . 5 1.4 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 . 17 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 34.1 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 2 0 0 2 0 0 0 0 0 2 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 3 0 0 1 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 1 0 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 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 G 0 0 91 0, 0.0 3,-0.1 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 -30.3 13.6 42.5 60.5 2 3 A D - 0 0 95 1,-0.1 76,-0.7 75,-0.1 2,-0.2 -0.309 360.0-102.3 -54.9 155.8 13.9 41.7 56.8 3 4 A V - 0 0 22 289,-0.2 2,-0.3 74,-0.2 74,-0.2 -0.595 45.4-175.3 -78.4 151.1 16.3 38.7 56.3 4 5 A R - 0 0 32 72,-0.5 72,-2.3 -2,-0.2 2,-1.1 -0.967 33.1-133.1-147.1 136.7 19.8 39.6 55.1 5 6 A L E +A 75 0A 0 -2,-0.3 70,-0.3 70,-0.2 18,-0.2 -0.765 31.8 177.6 -77.4 101.9 22.9 37.7 54.1 6 7 A S E + 0 0 11 68,-2.1 17,-1.9 -2,-1.1 2,-0.3 0.781 60.8 6.5 -83.4 -27.6 25.4 39.7 56.1 7 8 A A E -AB 74 22A 5 67,-1.4 67,-2.8 15,-0.2 2,-0.4 -0.983 54.4-166.4-154.3 149.6 28.4 37.7 55.2 8 9 A L E +AB 73 21A 4 13,-2.2 13,-1.5 -2,-0.3 2,-0.4 -0.995 12.5 179.1-133.9 127.6 29.6 34.9 52.9 9 10 A S E -AB 72 20A 26 63,-2.2 63,-2.8 -2,-0.4 2,-0.3 -0.976 2.3-175.1-126.2 147.6 32.8 33.1 53.2 10 11 A T E -AB 71 19A 11 9,-2.1 9,-2.1 -2,-0.4 2,-0.3 -0.949 9.3-168.5-136.0 155.4 34.2 30.2 51.2 11 12 A L E S-A 70 0A 82 59,-2.0 59,-2.2 -2,-0.3 3,-0.1 -0.972 78.3 -4.6-142.9 129.3 37.3 28.0 51.3 12 13 A N S S+ 0 0 23 -2,-0.3 51,-2.8 1,-0.2 2,-0.4 0.679 87.8 150.4 63.3 22.9 38.4 25.7 48.5 13 14 A Y B > -F 62 0B 1 3,-0.2 3,-2.3 49,-0.2 49,-0.2 -0.686 57.9 -90.6 -93.2 134.5 35.3 26.5 46.4 14 15 A R T 3 S- 0 0 51 47,-2.8 -1,-0.1 -2,-0.4 3,-0.1 -0.153 104.7 -1.7 -52.2 127.7 35.7 26.4 42.7 15 16 A N T 3 S+ 0 0 104 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.463 108.6 110.1 69.6 10.6 36.8 29.6 41.0 16 17 A L < - 0 0 7 -3,-2.3 -3,-0.2 24,-0.1 -4,-0.2 -0.953 66.3-133.2-117.6 130.0 36.8 31.5 44.3 17 18 A A - 0 0 25 325,-2.3 -7,-0.2 -2,-0.5 327,-0.1 -0.537 44.1 -99.5 -65.3 139.3 39.7 32.9 46.3 18 19 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.349 76.5 80.5 -68.4 144.3 39.3 31.9 49.9 19 20 A G E -B 10 0A 34 -9,-2.1 -9,-2.1 -3,-0.1 2,-0.3 -0.956 66.1 -80.4 155.9-168.2 38.0 34.6 52.2 20 21 A T E -B 9 0A 100 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.857 22.3-161.4-128.2 158.8 34.9 36.4 53.5 21 22 A L E -B 8 0A 30 -13,-1.5 -13,-2.2 -2,-0.3 2,-0.5 -0.988 9.6-148.3-143.4 135.8 32.7 39.3 52.3 22 23 A N E -B 7 0A 114 -2,-0.3 -15,-0.2 -15,-0.2 -16,-0.1 -0.924 16.2-160.3-107.2 126.8 30.4 41.4 54.3 23 24 A F - 0 0 2 -17,-1.9 3,-0.1 -2,-0.5 5,-0.1 -0.875 6.0-141.5-113.1 134.4 27.2 42.7 52.6 24 25 A P - 0 0 42 0, 0.0 -19,-0.1 0, 0.0 311,-0.1 -0.299 39.8 -77.1 -80.3 173.0 25.0 45.7 53.6 25 26 A E S S+ 0 0 135 296,-0.1 2,-0.2 309,-0.1 296,-0.2 -0.389 103.6 20.3 -57.8 151.2 21.3 46.0 53.4 26 27 A G E S-g 321 0C 23 294,-2.3 296,-1.8 -3,-0.1 2,-0.5 -0.578 111.6 -6.5 86.7-148.2 20.3 46.7 49.8 27 28 A V E -g 322 0C 18 -2,-0.2 308,-1.6 305,-0.2 307,-1.3 -0.729 44.3-167.4 -96.9 126.8 22.2 46.0 46.6 28 29 A T E -gh 323 335C 0 294,-2.7 296,-2.6 -2,-0.5 2,-0.4 -0.960 17.0-159.3-101.7 117.2 25.8 44.8 46.4 29 30 A G E -gh 324 336C 1 306,-2.6 308,-2.7 -2,-0.6 2,-0.4 -0.804 7.1-169.5 -95.2 137.7 27.0 45.2 42.8 30 31 A I E -gh 325 337C 1 294,-2.7 296,-1.7 -2,-0.4 2,-0.3 -0.995 6.5-178.2-128.4 124.7 29.9 43.2 41.6 31 32 A Y E +gh 326 338C 62 306,-2.5 308,-2.8 -2,-0.4 2,-0.3 -0.906 17.3 120.8-124.4 157.3 31.6 43.9 38.3 32 33 A G - 0 0 7 294,-1.1 308,-0.1 -2,-0.3 3,-0.1 -0.906 57.1 -57.2 169.0 169.3 34.5 42.2 36.4 33 34 A E > - 0 0 163 306,-0.4 3,-1.9 -2,-0.3 5,-0.3 -0.204 66.5 -85.0 -62.3 152.9 35.6 40.5 33.2 34 35 A N T 3 S+ 0 0 128 1,-0.2 -1,-0.1 2,-0.1 293,-0.0 -0.337 120.7 32.7 -51.4 136.9 34.0 37.3 32.0 35 36 A G T 3 S+ 0 0 83 -3,-0.1 -1,-0.2 305,-0.0 -2,-0.1 0.376 79.9 115.9 91.0 -3.9 35.8 34.5 33.9 36 37 A A S < S- 0 0 7 -3,-1.9 306,-2.0 305,-0.1 304,-0.2 0.468 89.8-103.5 -79.4 -3.9 36.5 36.4 37.2 37 38 A G S > S+ 0 0 4 304,-0.1 4,-1.7 -4,-0.1 3,-0.1 0.520 77.9 134.1 96.1 11.0 34.3 34.1 39.3 38 39 A K H >> S+ 0 0 15 -5,-0.3 4,-1.6 1,-0.2 3,-0.5 0.939 74.7 48.9 -59.6 -47.3 31.2 36.3 39.7 39 40 A T H 3> S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 107.7 56.2 -62.9 -33.7 28.7 33.6 38.9 40 41 A N H 3> S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.842 102.3 55.1 -69.2 -31.5 30.5 31.2 41.3 41 42 A L H S- 0 0 147 1,-0.1 3,-1.3 0, 0.0 4,-0.3 -0.999 73.5-144.7-133.4 128.9 28.8 16.5 40.3 58 59 A I G > S+ 0 0 31 -2,-0.4 3,-2.0 1,-0.3 4,-0.3 0.818 99.8 66.1 -62.4 -29.1 29.7 17.9 43.7 59 60 A E G > S+ 0 0 82 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.773 87.1 70.1 -65.4 -22.3 33.4 17.5 43.0 60 61 A Q G < S+ 0 0 56 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.729 94.7 55.8 -62.0 -24.2 32.9 20.2 40.3 61 62 A L G < S+ 0 0 0 -3,-2.0 -47,-2.8 -4,-0.3 2,-0.4 0.466 92.1 87.0 -84.7 -10.4 32.4 22.7 43.2 62 63 A I B < S-F 13 0B 10 -3,-1.4 -49,-0.2 -4,-0.3 3,-0.1 -0.850 86.9-106.7-103.6 131.5 35.8 21.9 44.8 63 64 A Q > - 0 0 69 -51,-2.8 3,-2.1 -2,-0.4 -49,-0.1 -0.152 46.8 -91.7 -52.0 141.9 39.0 23.6 43.8 64 65 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 -0.311 115.0 22.5 -56.0 135.7 41.4 21.5 41.8 65 66 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.289 105.6 100.4 86.4 -12.3 43.9 19.7 44.1 66 67 A E < - 0 0 70 -3,-2.1 -1,-0.3 -54,-0.1 3,-0.1 -0.731 55.1-160.5-102.6 158.8 41.5 20.0 47.1 67 68 A T S S+ 0 0 106 -2,-0.3 23,-0.4 1,-0.2 2,-0.3 0.492 74.3 31.3-116.4 -10.3 39.3 17.3 48.5 68 69 A E - 0 0 128 21,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.990 59.7-164.0-147.5 156.8 36.8 19.4 50.5 69 70 A A E - C 0 88A 2 19,-2.1 19,-2.6 -2,-0.3 2,-0.4 -0.898 5.9-153.1-136.8 163.8 35.3 22.8 50.4 70 71 A Y E -AC 11 87A 68 -59,-2.2 -59,-2.0 -2,-0.3 2,-0.4 -1.000 8.3-176.4-143.2 133.2 33.4 25.0 52.8 71 72 A V E -AC 10 86A 0 15,-2.2 15,-2.7 -2,-0.4 2,-0.4 -0.999 7.3-170.0-130.3 137.9 30.8 27.8 52.5 72 73 A R E -AC 9 85A 77 -63,-2.8 -63,-2.2 -2,-0.4 2,-0.5 -0.992 3.3-167.0-129.2 125.6 29.4 29.8 55.4 73 74 A A E -AC 8 84A 0 11,-3.4 11,-3.0 -2,-0.4 2,-0.5 -0.955 6.8-157.2-108.5 128.3 26.5 32.2 55.3 74 75 A D E -AC 7 83A 26 -67,-2.8 -68,-2.1 -2,-0.5 -67,-1.4 -0.910 15.1-166.4 -97.4 128.2 25.8 34.7 58.2 75 76 A L E -AC 5 82A 8 7,-3.0 7,-2.7 -2,-0.5 2,-0.5 -0.953 10.2-165.0-120.3 138.8 22.2 35.8 58.2 76 77 A Q E + C 0 81A 67 -72,-2.3 2,-0.5 -2,-0.4 -72,-0.5 -0.984 11.2 172.9-126.4 110.1 20.8 38.7 60.3 77 78 A Q E > S- C 0 80A 59 3,-2.2 3,-1.3 -2,-0.5 2,-0.4 -0.911 74.5 -46.9-114.0 96.7 17.0 38.8 60.7 78 79 A G T 3 S- 0 0 34 -76,-0.7 -76,-0.0 -2,-0.5 -74,-0.0 -0.685 120.3 -27.4 78.0-128.8 16.5 41.7 63.1 79 80 A G T 3 S+ 0 0 91 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.2 0.388 117.5 105.1 -95.5 0.2 18.9 41.3 66.1 80 81 A S E < -C 77 0A 65 -3,-1.3 -3,-2.2 -79,-0.0 2,-0.4 -0.714 56.1-160.2 -86.8 123.5 18.9 37.5 65.5 81 82 A L E -C 76 0A 100 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.865 9.8-177.0-101.8 140.8 22.1 36.1 63.9 82 83 A S E -C 75 0A 12 -7,-2.7 -7,-3.0 -2,-0.4 2,-0.4 -0.942 13.1-149.2-131.7 153.7 22.0 32.7 62.2 83 84 A I E -C 74 0A 42 -2,-0.3 15,-3.1 -9,-0.2 2,-0.5 -0.995 8.6-170.5-129.2 125.8 24.8 30.7 60.6 84 85 A Q E -CD 73 97A 4 -11,-3.0 -11,-3.4 -2,-0.4 2,-0.4 -0.981 11.6-174.8-118.4 124.7 24.3 28.4 57.7 85 86 A E E -CD 72 96A 29 11,-2.7 11,-2.0 -2,-0.5 2,-0.4 -0.942 12.5-165.2-124.6 143.5 27.2 26.2 56.6 86 87 A V E -CD 71 95A 0 -15,-2.7 -15,-2.2 -2,-0.4 2,-0.5 -0.994 3.2-164.4-127.3 127.4 27.8 23.7 53.8 87 88 A G E -CD 70 94A 22 7,-2.6 7,-2.9 -2,-0.4 2,-0.4 -0.924 12.3-162.4-107.2 134.1 30.6 21.2 53.7 88 89 A L E +CD 69 93A 4 -19,-2.6 -19,-2.1 -2,-0.5 2,-0.2 -0.937 30.9 102.6-121.2 138.1 31.4 19.6 50.3 89 90 A G E > + D 0 92A 11 3,-1.8 3,-1.8 -2,-0.4 -21,-0.1 -0.726 63.5 30.6 164.0 153.8 33.3 16.5 49.5 90 91 A R T 3 S- 0 0 230 -23,-0.4 3,-0.1 1,-0.3 -22,-0.1 0.840 127.9 -56.7 53.6 40.9 33.0 12.9 48.5 91 92 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.586 114.1 119.3 73.5 10.0 29.8 13.4 46.6 92 93 A R E < -D 89 0A 117 -3,-1.8 -3,-1.8 -34,-0.0 2,-0.5 -0.868 50.8-162.0-123.0 142.3 28.2 14.9 49.8 93 94 A R E -D 88 0A 71 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.959 18.0-166.8-121.3 106.9 26.7 18.2 50.8 94 95 A Q E -D 87 0A 90 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.3 -0.861 4.1-160.5-102.2 125.2 26.6 18.6 54.6 95 96 A L E -DE 86 102A 5 7,-0.6 7,-2.2 -2,-0.5 2,-0.4 -0.714 10.0-176.5-102.5 148.3 24.5 21.4 56.1 96 97 A K E -DE 85 101A 89 -11,-2.0 -11,-2.7 -2,-0.3 2,-0.5 -0.992 7.8-162.4-139.1 143.4 24.6 22.9 59.5 97 98 A V E > S-DE 84 100A 16 3,-2.3 3,-2.0 -2,-0.4 -13,-0.2 -0.993 79.6 -14.2-126.4 124.6 22.3 25.6 60.9 98 99 A D T 3 S- 0 0 94 -15,-3.1 -1,-0.1 -2,-0.5 -14,-0.1 0.853 129.6 -53.5 48.2 40.5 23.5 27.5 63.9 99 100 A G T 3 S+ 0 0 49 -16,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.312 114.5 107.8 89.3 -9.0 26.2 24.9 64.6 100 101 A V E < S-E 97 0A 90 -3,-2.0 -3,-2.3 1,-0.1 -1,-0.2 -0.862 81.2-101.6-110.1 135.6 24.0 21.8 64.6 101 102 A R E -E 96 0A 194 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.252 54.9-172.1 -46.9 136.0 23.9 19.2 61.8 102 103 A A E -E 95 0A 11 -7,-2.2 -7,-0.6 -3,-0.0 2,-0.2 -0.918 26.4-131.1-136.6 153.8 20.9 20.0 59.9 103 104 A R > - 0 0 192 -2,-0.3 3,-1.9 -9,-0.1 4,-0.3 -0.634 44.5 -99.5 -88.5 165.1 18.6 18.8 57.1 104 105 A T G > S+ 0 0 57 1,-0.3 3,-1.9 -2,-0.2 39,-0.1 0.836 121.2 69.8 -48.0 -36.1 17.6 21.1 54.3 105 106 A G G 3 S+ 0 0 41 1,-0.3 -1,-0.3 38,-0.1 38,-0.1 0.721 88.5 60.2 -60.2 -26.2 14.3 21.4 56.2 106 107 A D G < S+ 0 0 89 -3,-1.9 -1,-0.3 37,-0.1 -2,-0.2 0.494 82.0 99.1 -82.1 -8.3 16.0 23.5 59.0 107 108 A L < - 0 0 19 -3,-1.9 3,-0.2 -4,-0.3 -58,-0.1 -0.712 68.7-148.9 -75.5 133.2 16.9 26.1 56.4 108 109 A P + 0 0 54 0, 0.0 2,-2.8 0, 0.0 3,-0.3 0.782 51.4 22.9 -81.1-120.7 14.4 29.0 56.6 109 110 A R S S- 0 0 7 1,-0.3 180,-0.1 2,-0.1 182,-0.1 -0.149 107.6 -75.4 -72.5 57.3 12.6 31.6 54.5 110 111 A G - 0 0 1 -2,-2.8 -1,-0.3 30,-0.3 -60,-0.1 0.951 65.5-141.6 46.0 86.0 12.8 30.3 50.9 111 112 A G - 0 0 16 -62,-0.4 183,-2.3 -3,-0.3 2,-0.3 0.761 52.4 -14.5 -58.6 -42.6 16.4 31.4 51.1 112 113 A A E -i 294 0C 0 181,-0.3 2,-0.4 -66,-0.1 183,-0.2 -0.983 42.9-140.4-157.9 157.5 17.2 32.8 47.7 113 114 A V E -i 295 0C 0 181,-2.4 183,-3.0 -2,-0.3 2,-0.6 -0.995 19.3-158.4-123.8 134.0 16.2 33.2 44.0 114 115 A W E -i 296 0C 3 -2,-0.4 2,-0.5 181,-0.2 183,-0.2 -0.929 0.8-160.1-118.5 106.3 18.9 33.0 41.4 115 116 A I E -i 297 0C 13 181,-2.3 183,-2.4 -2,-0.6 160,-0.1 -0.792 20.3-162.0 -87.7 123.5 18.1 34.7 38.1 116 117 A R > - 0 0 56 -2,-0.5 3,-2.0 181,-0.1 4,-0.1 -0.795 28.8-128.7-122.7 143.4 20.5 33.2 35.5 117 118 A P T 3 S+ 0 0 38 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.713 109.6 56.3 -67.7 -15.2 21.6 34.3 32.0 118 119 A E T > S+ 0 0 102 1,-0.2 3,-2.2 2,-0.1 4,-0.2 0.286 72.5 113.8 -91.0 9.6 20.8 30.9 30.5 119 120 A D T X + 0 0 16 -3,-2.0 3,-2.0 1,-0.3 4,-0.4 0.692 56.9 75.8 -64.5 -18.7 17.2 31.1 31.8 120 121 A S T >> S+ 0 0 14 -3,-0.4 4,-2.3 1,-0.3 3,-1.5 0.773 80.6 73.5 -60.1 -22.3 15.7 31.2 28.2 121 122 A E H <> S+ 0 0 131 -3,-2.2 4,-2.1 1,-0.3 -1,-0.3 0.769 82.4 68.7 -61.7 -23.2 16.5 27.5 28.1 122 123 A L H <4 S+ 0 0 14 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.861 110.9 33.6 -59.0 -35.3 13.5 27.2 30.4 123 124 A V H <4 S+ 0 0 2 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.1 0.931 132.6 26.2 -84.4 -50.9 11.4 28.2 27.4 124 125 A F H < S+ 0 0 71 -4,-2.3 -3,-0.2 137,-0.0 -2,-0.2 0.588 108.2 79.3 -95.5 -14.2 13.3 26.7 24.5 125 126 A G S < S- 0 0 21 -4,-2.1 -3,-0.0 -5,-0.3 137,-0.0 0.036 87.0 -61.4 -88.9-170.4 15.0 23.7 26.1 126 127 A P >> - 0 0 79 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.252 45.1-105.3 -78.0 162.6 13.9 20.3 27.1 127 128 A P H >> S+ 0 0 53 0, 0.0 4,-2.8 0, 0.0 3,-0.7 0.823 114.1 69.3 -51.1 -36.3 11.3 19.2 29.6 128 129 A S H 3> S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.846 96.2 53.0 -55.5 -34.9 14.0 18.2 32.1 129 130 A G H <> S+ 0 0 27 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.824 109.8 47.0 -69.6 -32.5 14.9 21.9 32.7 130 131 A R H S+ 0 0 56 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.862 99.3 58.9 -57.7 -43.5 11.1 20.1 52.9 144 145 A R H > S+ 0 0 163 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 103.5 51.0 -56.1 -44.9 8.6 17.3 52.6 145 146 A Y H > S+ 0 0 0 -7,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.925 108.3 51.6 -61.0 -43.5 8.5 17.7 48.8 146 147 A G H X S+ 0 0 16 -4,-1.6 4,-2.0 -7,-0.3 -1,-0.2 0.904 112.8 45.2 -61.9 -42.1 12.2 17.6 48.5 147 148 A E H X S+ 0 0 101 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.926 113.5 49.2 -65.7 -48.1 12.5 14.4 50.5 148 149 A Q H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 111.8 49.7 -55.2 -47.6 9.6 12.8 48.6 149 150 A L H X S+ 0 0 17 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.7 49.8 -59.8 -44.6 11.2 13.7 45.3 150 151 A S H X S+ 0 0 68 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.933 114.4 43.1 -61.9 -46.9 14.5 12.3 46.3 151 152 A R H X S+ 0 0 123 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 113.5 53.2 -65.0 -40.6 13.1 9.0 47.5 152 153 A Y H X S+ 0 0 3 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.925 107.1 51.7 -59.4 -45.8 10.9 8.9 44.4 153 154 A E H X S+ 0 0 104 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.921 111.3 46.2 -60.9 -45.2 13.8 9.4 42.0 154 155 A R H X S+ 0 0 198 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.857 112.6 50.7 -66.9 -32.8 15.8 6.6 43.6 155 156 A T H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.918 109.1 49.7 -74.7 -42.5 12.8 4.2 43.5 156 157 A V H X S+ 0 0 9 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.925 107.3 57.6 -58.3 -39.8 12.1 4.9 39.8 157 158 A S H X S+ 0 0 66 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.932 106.5 47.3 -57.9 -41.0 15.8 4.2 39.2 158 159 A Q H X S+ 0 0 108 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.914 112.4 49.7 -65.9 -43.9 15.4 0.7 40.8 159 160 A R H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 111.2 48.4 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A R H X S+ 0 0 80 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.893 110.2 51.9 -61.8 -40.6 -1.0 21.2 41.0 191 192 A R H X S+ 0 0 138 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.919 113.5 42.4 -60.0 -49.1 -1.3 23.3 44.1 192 193 A A H X S+ 0 0 11 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.795 103.1 69.2 -68.6 -32.2 1.6 25.5 43.2 193 194 A L H X S+ 0 0 31 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.889 91.2 60.2 -56.3 -42.1 0.5 25.7 39.6 194 195 A T H X S+ 0 0 85 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.942 114.5 34.0 -54.1 -49.2 -2.5 27.8 40.4 195 196 A R H X S+ 0 0 90 -4,-0.7 4,-3.0 2,-0.2 5,-0.2 0.915 116.5 54.1 -75.7 -41.0 -0.5 30.6 41.9 196 197 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.899 107.5 51.9 -58.9 -41.5 2.5 30.3 39.6 197 198 A D H X S+ 0 0 31 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.962 113.4 44.4 -56.3 -49.1 0.3 30.6 36.5 198 199 A E H X S+ 0 0 69 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.919 116.1 46.5 -64.8 -44.1 -1.3 33.8 38.0 199 200 A L H X S+ 0 0 19 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.880 114.0 45.9 -67.5 -42.4 2.1 35.2 39.0 200 201 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.895 110.6 54.6 -68.0 -39.2 3.9 34.5 35.7 201 202 A R H X S+ 0 0 111 -4,-2.3 4,-2.0 -5,-0.3 12,-0.2 0.943 111.8 44.4 -57.4 -45.8 0.9 35.9 33.7 202 203 A E H X S+ 0 0 99 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.916 113.1 49.9 -68.9 -41.3 1.1 39.1 35.6 203 204 A A H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 109.5 51.9 -66.0 -36.9 4.9 39.4 35.4 204 205 A N H <>S+ 0 0 2 -4,-2.5 5,-2.0 2,-0.2 -1,-0.2 0.920 112.4 45.8 -65.0 -41.9 4.8 38.8 31.6 205 206 A A H ><5S+ 0 0 50 -4,-2.0 3,-2.3 -5,-0.2 -2,-0.2 0.934 111.2 51.4 -65.0 -45.0 2.2 41.6 31.3 206 207 A Q H 3<5S+ 0 0 119 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.839 103.0 60.6 -66.4 -29.1 4.2 43.9 33.5 207 208 A L T 3<5S- 0 0 11 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.422 128.2 -98.7 -76.9 1.7 7.3 43.2 31.3 208 209 A G T < 5S+ 0 0 57 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.452 73.5 144.2 99.3 1.8 5.3 44.6 28.4 209 210 A S < - 0 0 24 -5,-2.0 -1,-0.3 1,-0.1 4,-0.1 -0.548 34.0-164.0 -70.8 136.5 4.0 41.5 26.6 210 211 A R + 0 0 251 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-2,-0.4 2,-0.2 26,-0.2 -1,-0.1 0.636 84.3 -13.2 -75.8 -18.8 1.3 11.2 32.4 221 222 A T S S- 0 0 12 24,-0.0 5,-0.1 8,-0.0 3,-0.1 -0.843 70.2-109.6-161.0-174.5 -1.5 10.2 34.7 222 223 A S > - 0 0 22 -2,-0.2 4,-1.1 1,-0.1 3,-0.4 -0.924 31.1-111.0-129.0 160.6 -3.9 11.5 37.4 223 224 A P T >4 S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.923 119.6 53.1 -54.8 -37.1 -4.0 10.8 41.1 224 225 A E T 34 S+ 0 0 147 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.776 121.5 28.2 -71.9 -31.2 -7.3 8.9 40.5 225 226 A T T 3> S+ 0 0 60 -3,-0.4 4,-3.1 2,-0.1 5,-0.3 0.261 89.2 105.7-110.5 11.0 -5.9 6.6 37.8 226 227 A Y H S+ 0 0 46 -4,-0.4 4,-2.1 1,-0.2 5,-0.3 0.946 117.9 44.6 -61.6 -45.4 -2.4 2.9 40.2 228 229 A A H > S+ 0 0 55 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.891 116.5 45.7 -63.7 -43.7 -4.4 1.6 37.2 229 230 A D H X S+ 0 0 37 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.906 109.8 55.5 -65.7 -42.4 -2.2 3.4 34.7 230 231 A L H >< S+ 0 0 5 -4,-3.0 3,-0.6 -5,-0.3 -2,-0.2 0.967 119.0 31.2 -57.7 -58.7 1.0 2.3 36.5 231 232 A R H >< S+ 0 0 173 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.800 115.2 61.5 -61.5 -38.2 0.1 -1.4 36.3 232 233 A G H 3< S+ 0 0 65 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 0.631 96.2 57.5 -73.3 -17.9 -1.9 -1.1 33.0 233 234 A R T S+ 0 0 91 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.902 71.5 53.1 -53.1 -48.0 3.2 -2.9 31.6 235 236 A A H > S+ 0 0 80 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.902 110.8 47.4 -61.8 -38.7 3.4 -4.1 28.0 236 237 A E H > S+ 0 0 83 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.903 111.6 50.6 -65.0 -42.7 4.6 -0.7 26.9 237 238 A E H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.7 0.893 108.7 51.7 -68.2 -35.7 7.2 -0.5 29.7 238 239 A L H <5S+ 0 0 63 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.906 111.3 48.3 -63.9 -39.7 8.5 -4.0 28.7 239 240 A A H <5S+ 0 0 90 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.906 121.8 34.3 -63.9 -40.7 8.9 -2.8 25.1 240 241 A R H <5S- 0 0 134 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.695 94.7-134.3 -89.5 -24.1 10.7 0.4 26.1 241 242 A G T <5S+ 0 0 15 -4,-2.6 2,-0.3 1,-0.2 -77,-0.2 0.767 74.8 93.9 70.1 27.9 12.6 -0.8 29.2 242 243 A S S S- 0 0 0 -2,-0.5 3,-2.2 1,-0.1 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