==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-MAY-07 2PWW . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CLAUSII; . AUTHOR U.A.RAMAGOPAL,J.FREEMAN,C.LAU,R.TORO,K.BAIN,L.RODGERS,J.M.SA . 115 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 27.0 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 . 1 0.9 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 . 9 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 0 2 0 0 0 0 0 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 0 0 0 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 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 S 0 0 87 0, 0.0 2,-0.4 0, 0.0 79,-0.2 0.000 360.0 360.0 360.0 -11.9 41.9 4.9 13.3 2 1 A L E -A 79 0A 60 77,-1.1 77,-3.2 2,-0.0 2,-0.2 -0.942 360.0-149.7-126.4 121.6 45.6 5.6 13.0 3 2 A K E -A 78 0A 126 -2,-0.4 75,-0.2 75,-0.2 73,-0.0 -0.591 12.0-153.4 -87.5 148.2 46.3 9.2 12.0 4 3 A F > + 0 0 12 73,-2.2 3,-0.5 -2,-0.2 -1,-0.0 -0.848 25.3 166.1-116.3 85.9 49.3 10.4 9.9 5 4 A P T 3 + 0 0 78 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.488 59.2 69.2 -85.2 -1.6 49.6 14.0 11.2 6 5 A D T 3 + 0 0 153 1,-0.2 70,-0.0 2,-0.1 -2,-0.0 0.003 66.7 95.3-108.4 30.1 53.1 14.8 9.7 7 6 A T S < S- 0 0 27 -3,-0.5 -1,-0.2 70,-0.1 104,-0.0 0.730 75.3-139.9 -90.2 -23.4 52.4 14.9 6.0 8 7 A G > + 0 0 37 -3,-0.3 3,-1.0 1,-0.1 4,-0.4 0.560 64.8 127.2 68.6 11.2 51.9 18.7 5.6 9 8 A L T 3 + 0 0 10 1,-0.2 3,-0.4 2,-0.1 65,-0.4 0.793 67.9 56.3 -65.2 -26.3 49.1 17.9 3.2 10 9 A E T 3 S+ 0 0 35 1,-0.2 -1,-0.2 63,-0.1 66,-0.0 0.619 84.3 85.9 -80.1 -15.2 46.8 20.1 5.2 11 10 A E S < S+ 0 0 163 -3,-1.0 2,-0.4 1,-0.1 -1,-0.2 0.802 90.7 34.5 -66.5 -36.2 48.9 23.2 5.0 12 11 A K S S- 0 0 130 -3,-0.4 62,-0.3 -4,-0.4 -1,-0.1 -0.972 74.7-125.2-128.2 134.4 47.7 24.7 1.7 13 12 A E - 0 0 93 -2,-0.4 2,-0.3 60,-0.1 60,-0.2 -0.441 39.3-172.7 -64.6 142.3 44.3 24.8 -0.1 14 13 A V E -B 72 0A 16 58,-2.1 58,-3.3 -2,-0.1 2,-0.1 -0.950 29.4 -88.0-142.2 155.1 44.7 23.3 -3.5 15 14 A A E >> -B 71 0A 25 -2,-0.3 4,-1.4 56,-0.2 3,-0.5 -0.372 35.3-126.4 -60.8 141.3 42.7 22.8 -6.7 16 15 A F H 3> S+ 0 0 10 54,-2.7 4,-2.9 51,-0.4 5,-0.2 0.919 108.3 59.6 -55.5 -45.2 40.6 19.7 -6.8 17 16 A S H 3> S+ 0 0 51 51,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.832 103.1 53.2 -55.0 -34.5 42.0 18.6 -10.1 18 17 A I H <> S+ 0 0 72 -3,-0.5 4,-2.4 50,-0.3 5,-0.2 0.933 113.3 40.9 -68.1 -49.5 45.6 18.6 -8.6 19 18 A V H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.919 115.7 52.5 -61.3 -46.7 44.6 16.3 -5.7 20 19 A N H X S+ 0 0 51 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.949 114.1 40.5 -57.7 -52.6 42.5 14.2 -7.9 21 20 A H H X S+ 0 0 135 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.932 117.0 47.9 -65.5 -48.1 45.3 13.6 -10.5 22 21 A A H X S+ 0 0 2 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.938 113.7 48.0 -57.4 -50.9 48.1 13.1 -7.9 23 22 A A H ><>S+ 0 0 2 -4,-2.9 5,-2.3 -5,-0.2 3,-0.9 0.944 113.7 45.9 -55.3 -49.6 46.0 10.7 -5.8 24 23 A K H ><5S+ 0 0 91 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.858 107.9 58.2 -64.6 -32.5 45.0 8.6 -8.9 25 24 A S H 3<5S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.750 106.2 49.7 -70.8 -22.5 48.6 8.6 -10.2 26 25 A L T <<5S- 0 0 25 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.202 127.8 -95.0-101.7 12.9 49.7 6.9 -6.9 27 26 A G T < 5S+ 0 0 44 -3,-1.4 17,-0.4 1,-0.3 -3,-0.2 0.567 74.4 145.0 90.7 11.0 47.1 4.2 -7.0 28 27 A F < - 0 0 7 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.555 33.0-156.1 -73.6 145.6 44.4 5.8 -4.8 29 28 A I E -C 42 0A 96 13,-2.8 13,-3.4 -2,-0.2 2,-0.2 -0.952 21.8-117.3-112.6 145.6 40.7 5.0 -5.8 30 29 A H E -C 41 0A 39 -2,-0.4 11,-0.3 11,-0.3 2,-0.2 -0.547 34.2-106.3 -83.2 150.3 38.1 7.4 -4.7 31 30 A V - 0 0 31 9,-3.1 2,-3.0 -2,-0.2 9,-0.3 -0.527 27.8-112.5 -77.3 142.0 35.4 6.0 -2.3 32 31 A D S S+ 0 0 136 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.300 83.1 110.2 -75.2 58.6 31.9 5.3 -3.7 33 32 A Q - 0 0 73 -2,-3.0 2,-0.6 7,-0.1 7,-0.2 -0.975 59.6-149.9-133.8 114.1 30.3 8.1 -1.6 34 33 A W + 0 0 187 -2,-0.4 2,-0.4 5,-0.1 5,-0.1 -0.808 29.1 155.5-101.3 120.6 29.2 10.9 -3.9 35 34 A D - 0 0 52 -2,-0.6 3,-0.5 3,-0.4 -2,-0.1 -0.991 43.7-146.9-151.0 122.9 29.2 14.3 -2.2 36 35 A Y S S+ 0 0 177 -2,-0.4 29,-3.0 1,-0.2 -1,-0.1 0.652 105.3 43.3 -59.5 -15.4 29.5 17.9 -3.6 37 36 A E S S+ 0 0 137 1,-0.2 23,-2.6 27,-0.2 2,-0.3 0.562 115.7 32.7-110.8 -13.4 31.4 18.8 -0.4 38 37 A R E - D 0 59A 75 -3,-0.5 -3,-0.4 21,-0.2 2,-0.3 -0.999 49.3-170.1-149.8 143.1 33.8 15.9 0.2 39 38 A V E - D 0 58A 5 19,-2.4 19,-2.7 -2,-0.3 2,-0.4 -0.964 9.9-159.9-127.5 147.5 36.0 13.4 -1.6 40 39 A X E - D 0 57A 24 -2,-0.3 -9,-3.1 -9,-0.3 2,-0.5 -0.996 1.3-163.5-130.3 127.7 37.8 10.4 -0.1 41 40 A F E -CD 30 56A 0 15,-2.0 15,-2.8 -2,-0.4 2,-0.4 -0.953 11.1-164.3-110.7 122.4 40.7 8.7 -1.8 42 41 A D E -CD 29 55A 9 -13,-3.4 -13,-2.8 -2,-0.5 2,-0.6 -0.884 13.7-156.4-108.8 141.0 41.7 5.2 -0.5 43 42 A Y E - D 0 54A 44 11,-2.5 11,-2.4 -2,-0.4 2,-0.5 -0.972 21.8-139.8-110.7 115.8 44.8 3.2 -1.1 44 43 A K E - D 0 53A 138 -2,-0.6 2,-0.6 -17,-0.4 9,-0.2 -0.652 17.3-168.8 -78.9 120.5 44.1 -0.5 -0.5 45 44 A I E - D 0 52A 14 7,-3.0 7,-3.3 -2,-0.5 2,-0.6 -0.951 3.5-162.4-113.6 111.4 47.0 -2.3 1.3 46 45 A V E + D 0 51A 105 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.850 20.5 165.8 -97.0 123.1 46.8 -6.1 1.3 47 46 A H E > - D 0 50A 57 3,-2.9 3,-2.4 -2,-0.6 -2,-0.0 -0.904 51.5-101.6-134.7 157.8 49.0 -7.7 4.0 48 47 A H T 3 S+ 0 0 186 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.877 122.8 49.9 -44.5 -45.2 49.3 -11.2 5.6 49 48 A E T 3 S- 0 0 93 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.432 127.5 -69.2 -79.7 -0.9 47.4 -9.9 8.7 50 49 A G E < -D 47 0A 23 -3,-2.4 -3,-2.9 2,-0.0 2,-0.5 -0.890 59.2 -56.9 143.8-173.9 44.5 -8.4 6.7 51 50 A T E -D 46 0A 35 31,-0.3 31,-2.4 -2,-0.3 2,-0.3 -0.919 48.1-172.4-108.7 131.2 43.5 -5.7 4.2 52 51 A F E -DE 45 81A 0 -7,-3.3 -7,-3.0 -2,-0.5 2,-0.4 -0.823 12.7-146.4-119.3 158.5 44.0 -2.1 5.2 53 52 A Y E -DE 44 80A 51 27,-2.2 27,-2.8 -2,-0.3 2,-0.6 -0.997 1.7-155.5-128.8 130.6 42.9 1.2 3.7 54 53 A L E -DE 43 79A 0 -11,-2.4 -11,-2.5 -2,-0.4 2,-0.5 -0.924 23.5-161.3 -98.1 118.9 44.9 4.5 3.8 55 54 A R E -DE 42 78A 56 23,-3.2 23,-2.2 -2,-0.6 -13,-0.2 -0.904 19.1-174.1-115.9 129.7 42.4 7.3 3.4 56 55 A V E -D 41 0A 2 -15,-2.8 -15,-2.0 -2,-0.5 2,-0.2 -0.950 16.2-166.5-120.3 101.9 43.0 10.9 2.3 57 56 A P E -D 40 0A 6 0, 0.0 18,-2.7 0, 0.0 2,-0.3 -0.635 2.5-166.1 -86.5 148.4 39.8 13.0 2.6 58 57 A A E -DF 39 74A 0 -19,-2.7 -19,-2.4 -2,-0.2 2,-0.4 -0.993 6.0-148.6-135.6 149.4 39.5 16.4 1.0 59 58 A Y E -DF 38 73A 90 14,-2.4 14,-2.8 -2,-0.3 -21,-0.2 -0.910 21.9-108.2-126.3 139.5 36.8 19.1 1.6 60 59 A A E + F 0 72A 33 -23,-2.6 12,-0.2 -2,-0.4 3,-0.1 -0.416 38.2 164.5 -64.3 131.5 35.2 21.8 -0.6 61 60 A V E S+ 0 0 59 10,-3.0 2,-0.4 1,-0.2 11,-0.2 0.703 74.7 8.3-110.7 -54.7 36.3 25.3 0.3 62 61 A K E S+ F 0 71A 114 9,-1.6 9,-2.1 2,-0.0 -1,-0.2 -0.949 125.6 4.1-134.0 114.0 35.3 27.4 -2.6 63 62 A G S S- 0 0 48 -2,-0.4 2,-0.3 7,-0.2 -2,-0.0 -0.269 91.5 -69.9 98.0 166.5 33.2 25.7 -5.3 64 63 A E > - 0 0 95 -2,-0.1 3,-2.0 -4,-0.1 6,-0.2 -0.744 58.5 -85.0 -97.6 144.0 31.7 22.2 -5.3 65 64 A I T 3 S+ 0 0 7 -29,-3.0 -27,-0.1 -2,-0.3 -5,-0.0 -0.671 106.0 28.8 -73.7 141.1 33.6 19.0 -5.7 66 65 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -30,-0.1 -0.662 80.8 118.1-106.0 40.0 34.4 17.6 -8.4 67 66 A R X - 0 0 141 -3,-2.0 3,-1.7 1,-0.1 -51,-0.4 -0.561 68.3-129.1 -63.9 127.0 34.8 20.8 -10.4 68 67 A P T 3 S+ 0 0 77 0, 0.0 -51,-2.7 0, 0.0 -50,-0.3 0.839 104.1 45.0 -50.1 -40.1 38.5 20.8 -11.4 69 68 A S T 3 S+ 0 0 82 -53,-0.2 -2,-0.1 -54,-0.2 2,-0.0 0.488 82.0 122.3 -87.9 -3.8 39.2 24.4 -10.2 70 69 A T < - 0 0 2 -3,-1.7 -54,-2.7 -6,-0.2 2,-0.5 -0.333 66.2-124.1 -53.1 132.5 37.3 24.0 -6.9 71 70 A I E -BF 15 62A 57 -9,-2.1 -10,-3.0 -56,-0.2 -9,-1.6 -0.733 34.6-170.2 -87.0 128.4 39.6 24.8 -4.0 72 71 A V E -BF 14 60A 0 -58,-3.3 -58,-2.1 -2,-0.5 2,-0.6 -0.878 22.9-136.3-120.5 155.6 39.8 22.0 -1.5 73 72 A Q E - F 0 59A 47 -14,-2.8 -14,-2.4 -2,-0.3 2,-0.3 -0.952 21.0-146.7-107.8 115.6 41.2 21.4 2.0 74 73 A I E - F 0 58A 1 -2,-0.6 -16,-0.2 -65,-0.4 2,-0.2 -0.606 18.5-151.3 -79.3 138.8 43.0 18.1 2.4 75 74 A X - 0 0 89 -18,-2.7 -66,-0.0 -2,-0.3 -1,-0.0 -0.673 33.6 -64.1-111.2 171.6 42.7 16.6 5.9 76 75 A T - 0 0 32 -2,-0.2 -1,-0.1 -20,-0.1 -21,-0.1 -0.251 58.0-118.4 -57.9 119.2 44.8 14.3 8.0 77 76 A P - 0 0 0 0, 0.0 -73,-2.2 0, 0.0 2,-0.4 -0.248 28.1-153.8 -58.5 151.3 45.2 10.9 6.4 78 77 A I E -AE 3 55A 42 -23,-2.2 -23,-3.2 -75,-0.2 2,-0.5 -0.990 7.1-149.7-133.0 130.8 43.8 7.9 8.3 79 78 A L E +AE 2 54A 0 -77,-3.2 -77,-1.1 -2,-0.4 2,-0.3 -0.884 24.6 178.7 -99.5 129.6 44.9 4.2 8.2 80 79 A G E - E 0 53A 1 -27,-2.8 -27,-2.2 -2,-0.5 2,-0.4 -0.895 23.5-134.2-129.4 160.2 42.1 1.7 8.9 81 80 A K E - E 0 52A 24 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.936 21.5-128.7-112.5 136.8 41.8 -2.1 9.1 82 81 A Y - 0 0 70 -31,-2.4 -31,-0.3 -2,-0.4 2,-0.2 -0.722 13.5-162.0 -82.8 133.4 38.9 -3.9 7.5 83 82 A Y > - 0 0 37 -2,-0.4 4,-2.9 -33,-0.1 3,-0.4 -0.502 33.6-138.5-114.0 60.6 37.1 -6.3 9.8 84 83 A Y T 4 + 0 0 160 1,-0.3 -2,-0.0 -2,-0.2 2,-0.0 -0.246 64.0 9.0 -64.9 149.6 35.3 -8.4 7.2 85 84 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.983 138.1 9.6 -87.0 -10.9 32.5 -9.5 7.0 86 85 A H T 4 S- 0 0 109 -3,-0.4 -2,-0.2 2,-0.1 0, 0.0 0.377 89.6-112.6-121.3 1.6 30.8 -7.9 10.0 87 86 A G < + 0 0 47 -4,-2.9 2,-0.4 1,-0.2 -3,-0.2 0.360 65.0 144.0 86.0 -3.8 33.1 -5.2 11.4 88 87 A V - 0 0 67 -5,-0.4 2,-0.6 1,-0.0 -1,-0.2 -0.559 39.8-150.1 -78.9 124.0 33.8 -7.0 14.8 89 88 A E + 0 0 102 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.843 22.5 168.7 -94.3 120.0 37.3 -6.6 16.2 90 89 A Y S S+ 0 0 181 -2,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.834 81.6 28.5-100.6 -43.2 38.3 -9.7 18.2 91 90 A E S S- 0 0 150 1,-0.4 -1,-0.1 3,-0.0 3,-0.1 -0.261 106.6-128.9-110.1 39.9 42.0 -9.2 18.7 92 91 A G - 0 0 34 1,-0.1 -1,-0.4 -3,-0.1 2,-0.3 -0.092 42.9 -55.1 49.2-139.0 41.7 -5.3 18.6 93 92 A E + 0 0 58 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.926 48.8 158.3-149.7 126.5 44.0 -3.5 16.2 94 93 A T - 0 0 96 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.889 31.0-136.7-127.2 155.7 47.7 -3.2 15.6 95 94 A F - 0 0 29 -2,-0.3 5,-0.1 -14,-0.0 -2,-0.0 -0.983 23.4-121.1-119.8 120.2 49.2 -2.0 12.3 96 95 A P >> - 0 0 17 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.229 20.8-122.4 -53.8 144.4 52.2 -4.0 11.0 97 96 A Q H 3> S+ 0 0 117 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.864 112.5 58.9 -57.5 -39.2 55.3 -1.8 10.6 98 97 A A H 3> S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 106.8 47.6 -58.8 -38.3 55.5 -2.8 6.9 99 98 A V H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.930 112.4 48.2 -68.1 -49.0 51.9 -1.3 6.4 100 99 A I H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.890 111.8 50.8 -56.4 -42.8 52.9 1.9 8.3 101 100 A D H X S+ 0 0 70 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.926 108.0 51.6 -63.5 -47.2 56.0 2.2 6.2 102 101 A K H X S+ 0 0 85 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.896 111.7 48.6 -50.5 -45.5 54.0 1.7 3.0 103 102 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.941 110.1 49.6 -64.4 -49.2 51.7 4.5 4.2 104 103 A N H X S+ 0 0 80 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.911 113.3 47.7 -57.5 -43.6 54.6 6.9 5.1 105 104 A N H X S+ 0 0 114 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.928 113.7 45.5 -63.2 -46.0 56.2 6.4 1.7 106 105 A K H X S+ 0 0 29 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.932 115.0 47.2 -64.7 -46.2 52.9 6.9 -0.3 107 106 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.854 109.5 54.4 -64.4 -34.1 52.0 10.0 1.7 108 107 A A H X S+ 0 0 41 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.933 112.0 44.0 -64.2 -44.1 55.5 11.4 1.3 109 108 A L H X S+ 0 0 94 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.891 112.8 52.3 -71.6 -40.1 55.2 11.0 -2.5 110 109 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.923 108.3 50.0 -57.9 -49.0 51.7 12.4 -2.5 111 110 A A H X S+ 0 0 16 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.868 116.3 44.0 -59.6 -38.6 52.7 15.5 -0.6 112 111 A K H < S+ 0 0 136 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.908 113.7 48.3 -67.6 -49.8 55.6 15.9 -3.1 113 112 A T H < S+ 0 0 68 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.931 111.6 49.6 -61.6 -50.0 53.5 15.2 -6.3 114 113 A I H < 0 0 26 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.932 360.0 360.0 -52.7 -46.7 50.7 17.6 -5.2 115 114 A K < 0 0 199 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.689 360.0 360.0 -79.7 360.0 53.4 20.3 -4.5