REM -------------------------------------------------------------------- 2HMV REM 2HMV REM STRIDE: Knowledge-based secondary structure assignment 2HMV REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 2HMV REM 2HMV REM Residue accessible surface area calculation 2HMV REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 2HMV REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 2HMV REM 2HMV REM ------------------------ General information ----------------------- 2HMV REM 2HMV HDR TRANSPORT PROTEIN 11-JUL-06 2HMV 2HMV CMP MOL_ID: 1; 2HMV CMP MOLECULE: YUAA PROTEIN; 2HMV CMP CHAIN: A, B; 2HMV CMP FRAGMENT: RCK CORE DOMAIN (KTN), RESIDUES 1-144; 2HMV CMP ENGINEERED: YES; 2HMV CMP MUTATION: YES 2HMV SRC MOL_ID: 1; 2HMV SRC ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; 2HMV SRC ORGANISM_TAXID: 1423; 2HMV SRC GENE: YUAA; 2HMV SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); 2HMV SRC EXPRESSION_SYSTEM_TAXID: 469008; 2HMV SRC EXPRESSION_SYSTEM_STRAIN: BL21(DE3); 2HMV SRC EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 2HMV SRC EXPRESSION_SYSTEM_PLASMID: PET15B 2HMV AUT R.A.ALBRIGHT,J.H.MORAIS-CABRAL 2HMV REM 2HMV REM -------------------- Secondary structure summary ------------------- 2HMV REM 2HMV CHN 2hmv.pdb A 2HMV REM 2HMV REM . . . . . 2HMV SEQ 1 NKQFAVIGLGRFGGSIVKELHRMGHEVLAVDINEEKVNAYASYATHAVIA 50 2HMV STR EEEE HHHHHHHHHHHHH EEEE HHHHHHHTTTTTEEEE 2HMV REM 2HMV REM . . . . . 2HMV SEQ 51 NATEENELLSLGIRNFEYVIVAIGANIQASTLTTLLLKELDIPNIWVKAQ 100 2HMV STR TTTTHHHHHHH GGGTTEEEE TTTTHHHHHHHHHHHHHH TTEEEEE 2HMV REM 2HMV REM . . . 2HMV SEQ 101 NYYHHKVLEKIGADRIIHPEKDMGVKIAQSLSDENVLNY 139 2HMV STR HHHHHHHHHH TTEEE HHHHHHHHHHHHHHHHHHH 2HMV REM 2HMV CHN 2hmv.pdb B 2HMV REM 2HMV REM . . . . . 2HMV SEQ 1 KQFAVIGLGRFGGSIVKELHRMGHEVLAVDINEEKVNAYASYATHAVIAN 50 2HMV STR EEEE HHHHHHHHHHHHH EEEE HHHHHHHTTTTTEEEE T 2HMV REM 2HMV REM . . . . . 2HMV SEQ 51 ATEENELLSLGIRNFEYVIVAIGANIQASTLTTLLLKELDIPNIWVKAQN 100 2HMV STR TTTHHHHHHH GGGTTEEEE TTTTHHHHHHHHHHHHHH TTEEEEE 2HMV REM 2HMV REM . . . 2HMV SEQ 101 YYHHKVLEKIGADRIIHPEKDMGVKIAQSLSDENV 135 2HMV STR HHHHHHHHHH TTEEE HHHHHHHHHHHHHHGGG 2HMV REM 2HMV REM 2HMV REM 2HMV LOC AlphaHelix ARG 16 A MET 28 A 2HMV LOC AlphaHelix GLU 39 A TYR 45 A 2HMV LOC AlphaHelix GLU 60 A LEU 66 A 2HMV LOC AlphaHelix ILE 82 A LEU 95 A 2HMV LOC AlphaHelix TYR 107 A ILE 116 A 2HMV LOC AlphaHelix PRO 124 A LEU 142 A 2HMV LOC AlphaHelix ARG 16 B MET 28 B 2HMV LOC AlphaHelix GLU 39 B TYR 45 B 2HMV LOC AlphaHelix GLU 60 B LEU 66 B 2HMV LOC AlphaHelix ILE 82 B LEU 95 B 2HMV LOC AlphaHelix TYR 107 B ILE 116 B 2HMV LOC AlphaHelix PRO 124 B SER 137 B 2HMV LOC 310Helix ILE 68 A ASN 70 A 2HMV LOC 310Helix ILE 68 B ASN 70 B 2HMV LOC 310Helix ASP 138 B ASN 140 B 2HMV LOC Strand PHE 9 A ILE 12 A 2HMV LOC Strand LEU 33 A ASP 36 A 2HMV LOC Strand HIS 51 A ILE 54 A 2HMV LOC Strand TYR 73 A VAL 76 A 2HMV LOC Strand ASN 99 A LYS 103 A 2HMV LOC Strand ARG 120 A ILE 122 A 2HMV LOC Strand PHE 9 B ILE 12 B 2HMV LOC Strand LEU 33 B ASP 36 B 2HMV LOC Strand HIS 51 B ILE 54 B 2HMV LOC Strand TYR 73 B VAL 76 B 2HMV LOC Strand ASN 99 B LYS 103 B 2HMV LOC Strand ARG 120 B ILE 122 B 2HMV LOC TurnI TYR 45 A TYR 48 A 2HMV LOC TurnIV ALA 46 A ALA 49 A 2HMV LOC TurnVIII ALA 49 A ALA 52 A 2HMV LOC TurnI ASN 56 A GLU 59 A 2HMV LOC TurnVIII PHE 71 A VAL 74 A 2HMV LOC TurnIV ILE 78 A ASN 81 A 2HMV LOC TurnVIII ILE 97 A ILE 100 A 2HMV LOC TurnVIII ALA 118 A ILE 121 A 2HMV LOC TurnI TYR 45 B TYR 48 B 2HMV LOC TurnI ALA 46 B ALA 49 B 2HMV LOC TurnVIII ALA 49 B ALA 52 B 2HMV LOC TurnI ASN 56 B GLU 59 B 2HMV LOC TurnVIII PHE 71 B VAL 74 B 2HMV LOC TurnIV ILE 78 B ASN 81 B 2HMV LOC TurnIV GLY 79 B ILE 82 B 2HMV LOC TurnVIII ILE 97 B ILE 100 B 2HMV LOC TurnVIII ALA 118 B ILE 121 B 2HMV REM 2HMV REM --------------- Detailed secondary structure assignment------------- 2HMV REM 2HMV REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 2HMV ASG ASN A 6 1 C Coil 360.00 132.21 103.8 2HMV ASG LYS A 7 2 C Coil 40.93 71.38 89.9 2HMV ASG GLN A 8 3 C Coil -112.99 -44.23 49.5 2HMV ASG PHE A 9 4 E Strand -124.50 139.95 4.2 2HMV ASG ALA A 10 5 E Strand -138.67 133.12 0.0 2HMV ASG VAL A 11 6 E Strand -122.29 122.44 0.0 2HMV ASG ILE A 12 7 E Strand -109.90 113.37 2.4 2HMV ASG GLY A 13 8 C Coil 110.04 105.12 5.0 2HMV ASG LEU A 14 9 C Coil -105.60 52.19 0.6 2HMV ASG GLY A 15 10 C Coil -87.68 -159.67 27.4 2HMV ASG ARG A 16 11 H AlphaHelix -54.47 -48.14 111.4 2HMV ASG PHE A 17 12 H AlphaHelix -67.11 -56.82 2.9 2HMV ASG GLY A 18 13 H AlphaHelix -63.36 -46.20 0.2 2HMV ASG GLY A 19 14 H AlphaHelix -62.07 -32.61 0.0 2HMV ASG SER A 20 15 H AlphaHelix -67.76 -37.60 11.0 2HMV ASG ILE A 21 16 H AlphaHelix -72.45 -30.82 0.0 2HMV ASG VAL A 22 17 H AlphaHelix -61.42 -50.74 0.0 2HMV ASG LYS A 23 18 H AlphaHelix -57.29 -55.03 75.1 2HMV ASG GLU A 24 19 H AlphaHelix -55.30 -43.82 23.2 2HMV ASG LEU A 25 20 H AlphaHelix -57.88 -47.66 0.0 2HMV ASG HIS A 26 21 H AlphaHelix -60.03 -44.89 85.8 2HMV ASG ARG A 27 22 H AlphaHelix -58.56 -40.91 152.8 2HMV ASG MET A 28 23 H AlphaHelix -77.04 6.99 68.5 2HMV ASG GLY A 29 24 C Coil 78.79 16.31 67.0 2HMV ASG HIS A 30 25 C Coil -94.03 146.50 67.7 2HMV ASG GLU A 31 26 C Coil -82.25 144.41 79.1 2HMV ASG VAL A 32 27 C Coil -148.29 142.40 3.1 2HMV ASG LEU A 33 28 E Strand -98.59 114.99 11.4 2HMV ASG ALA A 34 29 E Strand -106.53 126.07 0.0 2HMV ASG VAL A 35 30 E Strand -135.34 149.60 0.2 2HMV ASG ASP A 36 31 E Strand -161.08 156.37 18.0 2HMV ASG ILE A 37 32 C Coil -81.07 -29.01 111.6 2HMV ASG ASN A 38 33 C Coil -85.67 127.23 74.4 2HMV ASG GLU A 39 34 H AlphaHelix -69.58 -36.42 124.7 2HMV ASG GLU A 40 35 H AlphaHelix -61.72 -28.52 154.2 2HMV ASG LYS A 41 36 H AlphaHelix -76.50 -42.23 88.0 2HMV ASG VAL A 42 37 H AlphaHelix -62.91 -37.22 7.2 2HMV ASG ASN A 43 38 H AlphaHelix -73.00 -23.93 107.7 2HMV ASG ALA A 44 39 H AlphaHelix -75.72 -18.52 56.4 2HMV ASG TYR A 45 40 H AlphaHelix -116.87 21.06 26.7 2HMV ASG ALA A 46 41 T Turn -62.50 -40.43 63.6 2HMV ASG SER A 47 42 T Turn -81.28 9.01 83.3 2HMV ASG TYR A 48 43 T Turn -125.89 -18.96 81.4 2HMV ASG ALA A 49 44 T Turn -108.95 143.61 14.6 2HMV ASG THR A 50 45 T Turn -53.30 -50.47 76.1 2HMV ASG HIS A 51 46 E Strand -140.73 131.23 124.3 2HMV ASG ALA A 52 47 E Strand -119.69 107.63 34.6 2HMV ASG VAL A 53 48 E Strand -109.41 149.12 56.8 2HMV ASG ILE A 54 49 E Strand -95.58 115.30 83.3 2HMV ASG ALA A 55 50 C Coil -156.96 154.45 6.6 2HMV ASG ASN A 56 51 T Turn -94.37 109.34 53.4 2HMV ASG ALA A 57 52 T Turn -63.06 -19.23 6.1 2HMV ASG THR A 58 53 T Turn -84.16 -12.58 31.2 2HMV ASG GLU A 59 54 T Turn -83.63 111.93 85.8 2HMV ASG GLU A 60 55 H AlphaHelix -53.72 -29.76 123.8 2HMV ASG ASN A 61 56 H AlphaHelix -81.78 -46.20 89.2 2HMV ASG GLU A 62 57 H AlphaHelix -58.05 -28.10 55.8 2HMV ASG LEU A 63 58 H AlphaHelix -67.79 -31.54 1.4 2HMV ASG LEU A 64 59 H AlphaHelix -76.56 -43.75 86.1 2HMV ASG SER A 65 60 H AlphaHelix -59.85 -28.92 104.7 2HMV ASG LEU A 66 61 H AlphaHelix -75.20 -30.79 23.1 2HMV ASG GLY A 67 62 C Coil 79.73 21.14 6.5 2HMV ASG ILE A 68 63 G 310Helix -56.29 -25.46 0.4 2HMV ASG ARG A 69 64 G 310Helix -59.72 -18.95 99.2 2HMV ASG ASN A 70 65 G 310Helix -94.87 20.85 77.9 2HMV ASG PHE A 71 66 T Turn -115.51 134.14 13.9 2HMV ASG GLU A 72 67 T Turn -63.36 -43.36 83.0 2HMV ASG TYR A 73 68 E Strand -126.39 137.43 27.3 2HMV ASG VAL A 74 69 E Strand -135.00 126.50 0.0 2HMV ASG ILE A 75 70 E Strand -104.76 125.79 0.4 2HMV ASG VAL A 76 71 E Strand -101.85 106.96 0.0 2HMV ASG ALA A 77 72 C Coil -112.65 31.51 5.4 2HMV ASG ILE A 78 73 T Turn -65.12 137.56 32.4 2HMV ASG GLY A 79 74 T Turn -86.34 -121.38 32.7 2HMV ASG ALA A 80 75 T Turn -68.56 55.15 98.6 2HMV ASG ASN A 81 76 T Turn -150.77 75.29 80.4 2HMV ASG ILE A 82 77 H AlphaHelix -52.09 -40.57 31.0 2HMV ASG GLN A 83 78 H AlphaHelix -62.96 -46.68 143.4 2HMV ASG ALA A 84 79 H AlphaHelix -67.37 -36.81 17.7 2HMV ASG SER A 85 80 H AlphaHelix -63.64 -51.53 0.0 2HMV ASG THR A 86 81 H AlphaHelix -67.63 -38.72 28.3 2HMV ASG LEU A 87 82 H AlphaHelix -60.96 -50.81 58.5 2HMV ASG THR A 88 83 H AlphaHelix -56.14 -52.65 0.8 2HMV ASG THR A 89 84 H AlphaHelix -55.89 -32.57 0.0 2HMV ASG LEU A 90 85 H AlphaHelix -64.58 -49.61 59.5 2HMV ASG LEU A 91 86 H AlphaHelix -64.36 -42.96 11.4 2HMV ASG LEU A 92 87 H AlphaHelix -57.44 -45.28 0.2 2HMV ASG LYS A 93 88 H AlphaHelix -62.60 -27.29 95.4 2HMV ASG GLU A 94 89 H AlphaHelix -74.19 -33.80 115.3 2HMV ASG LEU A 95 90 H AlphaHelix -79.37 5.41 52.0 2HMV ASG ASP A 96 91 C Coil 55.19 50.57 136.8 2HMV ASG ILE A 97 92 T Turn -76.73 125.89 8.0 2HMV ASG PRO A 98 93 T Turn -40.93 -50.98 59.1 2HMV ASG ASN A 99 94 E Strand -139.77 118.97 37.3 2HMV ASG ILE A 100 95 E Strand -118.59 117.55 1.4 2HMV ASG TRP A 101 96 E Strand -109.38 137.21 22.4 2HMV ASG VAL A 102 97 E Strand -133.47 138.03 0.0 2HMV ASG LYS A 103 98 E Strand -81.63 121.47 32.4 2HMV ASG ALA A 104 99 C Coil -96.11 144.19 1.9 2HMV ASG GLN A 105 100 C Coil -85.19 -36.95 75.6 2HMV ASG ASN A 106 101 C Coil -160.43 -172.02 43.9 2HMV ASG TYR A 107 102 H AlphaHelix -58.83 -50.58 161.0 2HMV ASG TYR A 108 103 H AlphaHelix -53.70 -50.81 145.6 2HMV ASG HIS A 109 104 H AlphaHelix -57.07 -47.43 0.4 2HMV ASG HIS A 110 105 H AlphaHelix -54.29 -49.96 45.1 2HMV ASG LYS A 111 106 H AlphaHelix -56.15 -40.23 90.1 2HMV ASG VAL A 112 107 H AlphaHelix -75.52 -38.30 35.3 2HMV ASG LEU A 113 108 H AlphaHelix -61.00 -40.41 0.0 2HMV ASG GLU A 114 109 H AlphaHelix -53.83 -46.85 85.6 2HMV ASG LYS A 115 110 H AlphaHelix -83.41 -20.90 160.2 2HMV ASG ILE A 116 111 H AlphaHelix -77.58 -15.90 44.5 2HMV ASG GLY A 117 112 C Coil 126.87 -13.56 8.3 2HMV ASG ALA A 118 113 T Turn -54.85 126.37 12.6 2HMV ASG ASP A 119 114 T Turn -82.93 -25.99 84.7 2HMV ASG ARG A 120 115 E Strand -147.44 134.09 80.2 2HMV ASG ILE A 121 116 E Strand -112.62 130.16 27.4 2HMV ASG ILE A 122 117 E Strand -112.13 131.68 0.0 2HMV ASG HIS A 123 118 C Coil -120.51 86.90 16.0 2HMV ASG PRO A 124 119 H AlphaHelix -41.24 -57.19 4.4 2HMV ASG GLU A 125 120 H AlphaHelix -56.55 -55.62 37.4 2HMV ASG LYS A 126 121 H AlphaHelix -63.91 -52.86 62.7 2HMV ASG ASP A 127 122 H AlphaHelix -54.40 -41.95 41.1 2HMV ASG MET A 128 123 H AlphaHelix -68.85 -29.56 3.4 2HMV ASG GLY A 129 124 H AlphaHelix -61.57 -42.64 0.0 2HMV ASG VAL A 130 125 H AlphaHelix -66.08 -44.43 49.4 2HMV ASG LYS A 131 126 H AlphaHelix -64.73 -31.66 75.0 2HMV ASG ILE A 132 127 H AlphaHelix -71.08 -39.10 1.8 2HMV ASG ALA A 133 128 H AlphaHelix -59.44 -44.10 0.0 2HMV ASG GLN A 134 129 H AlphaHelix -60.31 -42.28 75.0 2HMV ASG SER A 135 130 H AlphaHelix -64.07 -40.78 30.1 2HMV ASG LEU A 136 131 H AlphaHelix -61.00 -47.90 0.0 2HMV ASG SER A 137 132 H AlphaHelix -57.59 -44.73 6.8 2HMV ASG ASP A 138 133 H AlphaHelix -58.93 -39.78 37.5 2HMV ASG GLU A 139 134 H AlphaHelix -52.06 -41.59 35.7 2HMV ASG ASN A 140 135 H AlphaHelix -95.15 -56.02 43.9 2HMV ASG VAL A 141 136 H AlphaHelix -54.95 -61.96 95.2 2HMV ASG LEU A 142 137 H AlphaHelix -69.10 -4.04 111.2 2HMV ASG ASN A 143 138 C Coil 51.80 87.47 132.8 2HMV ASG TYR A 144 139 C Coil -174.01 360.00 152.2 2HMV ASG LYS B 7 1 C Coil 360.00 -62.42 147.6 2HMV ASG GLN B 8 2 C Coil -64.26 136.63 61.0 2HMV ASG PHE B 9 3 E Strand -127.50 133.30 1.9 2HMV ASG ALA B 10 4 E Strand -137.35 124.24 0.0 2HMV ASG VAL B 11 5 E Strand -112.31 119.78 0.0 2HMV ASG ILE B 12 6 E Strand -106.42 116.88 2.4 2HMV ASG GLY B 13 7 C Coil 103.67 104.50 4.6 2HMV ASG LEU B 14 8 C Coil -104.26 60.81 0.8 2HMV ASG GLY B 15 9 C Coil -87.56 -155.37 30.0 2HMV ASG ARG B 16 10 H AlphaHelix -64.99 -45.38 101.3 2HMV ASG PHE B 17 11 H AlphaHelix -65.26 -61.70 1.2 2HMV ASG GLY B 18 12 H AlphaHelix -59.39 -43.64 0.5 2HMV ASG GLY B 19 13 H AlphaHelix -63.08 -39.88 0.0 2HMV ASG SER B 20 14 H AlphaHelix -59.18 -40.94 15.6 2HMV ASG ILE B 21 15 H AlphaHelix -70.62 -29.64 0.0 2HMV ASG VAL B 22 16 H AlphaHelix -68.77 -44.98 0.0 2HMV ASG LYS B 23 17 H AlphaHelix -63.15 -38.94 90.2 2HMV ASG GLU B 24 18 H AlphaHelix -67.60 -46.64 29.4 2HMV ASG LEU B 25 19 H AlphaHelix -55.87 -41.74 0.0 2HMV ASG HIS B 26 20 H AlphaHelix -61.48 -52.69 86.7 2HMV ASG ARG B 27 21 H AlphaHelix -54.20 -38.68 169.8 2HMV ASG MET B 28 22 H AlphaHelix -82.22 19.78 48.3 2HMV ASG GLY B 29 23 C Coil 62.47 29.43 69.0 2HMV ASG HIS B 30 24 C Coil -106.20 151.70 39.3 2HMV ASG GLU B 31 25 C Coil -89.09 143.06 120.2 2HMV ASG VAL B 32 26 C Coil -149.50 136.79 3.6 2HMV ASG LEU B 33 27 E Strand -90.73 118.85 11.5 2HMV ASG ALA B 34 28 E Strand -103.70 134.54 0.0 2HMV ASG VAL B 35 29 E Strand -141.82 145.50 0.4 2HMV ASG ASP B 36 30 E Strand -163.58 153.13 22.8 2HMV ASG ILE B 37 31 C Coil -76.46 -18.46 108.4 2HMV ASG ASN B 38 32 C Coil -98.52 118.36 56.8 2HMV ASG GLU B 39 33 H AlphaHelix -56.83 -39.43 123.6 2HMV ASG GLU B 40 34 H AlphaHelix -58.40 -37.88 143.6 2HMV ASG LYS B 41 35 H AlphaHelix -71.74 -42.67 86.2 2HMV ASG VAL B 42 36 H AlphaHelix -59.24 -41.65 6.2 2HMV ASG ASN B 43 37 H AlphaHelix -65.54 -41.26 104.7 2HMV ASG ALA B 44 38 H AlphaHelix -57.27 -21.12 59.0 2HMV ASG TYR B 45 39 H AlphaHelix -122.29 10.90 38.1 2HMV ASG ALA B 46 40 T Turn -58.33 -39.04 47.2 2HMV ASG SER B 47 41 T Turn -71.55 -13.09 87.9 2HMV ASG TYR B 48 42 T Turn -101.52 -19.72 79.1 2HMV ASG ALA B 49 43 T Turn -103.14 152.96 13.4 2HMV ASG THR B 50 44 T Turn -62.80 -45.53 70.1 2HMV ASG HIS B 51 45 E Strand -140.61 128.77 127.1 2HMV ASG ALA B 52 46 E Strand -114.47 117.23 32.2 2HMV ASG VAL B 53 47 E Strand -123.30 137.33 52.8 2HMV ASG ILE B 54 48 E Strand -83.77 125.65 87.2 2HMV ASG ALA B 55 49 C Coil -167.44 151.46 6.8 2HMV ASG ASN B 56 50 T Turn -96.08 109.14 56.2 2HMV ASG ALA B 57 51 T Turn -62.25 -14.00 5.9 2HMV ASG THR B 58 52 T Turn -84.27 -11.43 29.7 2HMV ASG GLU B 59 53 T Turn -90.97 110.65 84.0 2HMV ASG GLU B 60 54 H AlphaHelix -51.92 -43.19 114.6 2HMV ASG ASN B 61 55 H AlphaHelix -64.00 -37.65 101.8 2HMV ASG GLU B 62 56 H AlphaHelix -73.18 -24.31 56.8 2HMV ASG LEU B 63 57 H AlphaHelix -73.82 -33.64 2.6 2HMV ASG LEU B 64 58 H AlphaHelix -79.72 -39.99 83.7 2HMV ASG SER B 65 59 H AlphaHelix -68.30 -17.17 104.2 2HMV ASG LEU B 66 60 H AlphaHelix -81.76 -34.85 28.0 2HMV ASG GLY B 67 61 C Coil 84.78 16.23 12.2 2HMV ASG ILE B 68 62 G 310Helix -50.79 -33.34 0.0 2HMV ASG ARG B 69 63 G 310Helix -60.47 -14.11 115.0 2HMV ASG ASN B 70 64 G 310Helix -93.25 2.06 109.8 2HMV ASG PHE B 71 65 T Turn -94.34 144.79 25.9 2HMV ASG GLU B 72 66 T Turn -77.29 -37.26 79.4 2HMV ASG TYR B 73 67 E Strand -131.81 127.50 10.2 2HMV ASG VAL B 74 68 E Strand -125.94 126.25 0.2 2HMV ASG ILE B 75 69 E Strand -106.06 121.50 0.2 2HMV ASG VAL B 76 70 E Strand -96.08 109.44 0.0 2HMV ASG ALA B 77 71 C Coil -116.37 30.23 4.1 2HMV ASG ILE B 78 72 T Turn -64.28 145.28 29.0 2HMV ASG GLY B 79 73 T Turn -104.03 -108.06 20.3 2HMV ASG ALA B 80 74 T Turn -48.51 -38.53 88.1 2HMV ASG ASN B 81 75 T Turn -73.73 75.97 91.9 2HMV ASG ILE B 82 76 H AlphaHelix -56.30 -37.42 52.3 2HMV ASG GLN B 83 77 H AlphaHelix -62.28 -44.54 161.3 2HMV ASG ALA B 84 78 H AlphaHelix -62.78 -40.17 16.1 2HMV ASG SER B 85 79 H AlphaHelix -58.10 -57.40 0.0 2HMV ASG THR B 86 80 H AlphaHelix -66.61 -34.55 33.9 2HMV ASG LEU B 87 81 H AlphaHelix -67.05 -44.00 77.0 2HMV ASG THR B 88 82 H AlphaHelix -58.96 -44.29 0.6 2HMV ASG THR B 89 83 H AlphaHelix -70.09 -26.80 0.2 2HMV ASG LEU B 90 84 H AlphaHelix -67.57 -39.42 61.7 2HMV ASG LEU B 91 85 H AlphaHelix -70.88 -44.16 9.1 2HMV ASG LEU B 92 86 H AlphaHelix -60.53 -34.49 0.0 2HMV ASG LYS B 93 87 H AlphaHelix -66.72 -35.57 93.5 2HMV ASG GLU B 94 88 H AlphaHelix -65.96 -31.36 119.6 2HMV ASG LEU B 95 89 H AlphaHelix -85.19 5.92 53.1 2HMV ASG ASP B 96 90 C Coil 53.66 36.70 131.2 2HMV ASG ILE B 97 91 T Turn -57.26 128.62 6.3 2HMV ASG PRO B 98 92 T Turn -52.57 -46.86 60.8 2HMV ASG ASN B 99 93 E Strand -135.39 111.75 34.4 2HMV ASG ILE B 100 94 E Strand -116.28 116.45 0.2 2HMV ASG TRP B 101 95 E Strand -108.92 133.94 10.4 2HMV ASG VAL B 102 96 E Strand -130.32 136.07 0.0 2HMV ASG LYS B 103 97 E Strand -79.11 128.80 18.8 2HMV ASG ALA B 104 98 C Coil -92.68 135.97 4.6 2HMV ASG GLN B 105 99 C Coil -81.11 -39.57 56.0 2HMV ASG ASN B 106 100 C Coil -158.14 -176.05 63.6 2HMV ASG TYR B 107 101 H AlphaHelix -56.62 -52.47 160.0 2HMV ASG TYR B 108 102 H AlphaHelix -58.48 -41.81 180.1 2HMV ASG HIS B 109 103 H AlphaHelix -58.24 -47.63 3.0 2HMV ASG HIS B 110 104 H AlphaHelix -57.33 -46.18 52.3 2HMV ASG LYS B 111 105 H AlphaHelix -59.92 -42.67 78.6 2HMV ASG VAL B 112 106 H AlphaHelix -68.78 -44.86 60.6 2HMV ASG LEU B 113 107 H AlphaHelix -54.38 -43.37 0.0 2HMV ASG GLU B 114 108 H AlphaHelix -64.12 -35.63 96.7 2HMV ASG LYS B 115 109 H AlphaHelix -81.61 -15.05 149.7 2HMV ASG ILE B 116 110 H AlphaHelix -89.36 -20.09 46.3 2HMV ASG GLY B 117 111 C Coil 119.68 11.52 14.5 2HMV ASG ALA B 118 112 T Turn -71.84 127.87 14.1 2HMV ASG ASP B 119 113 T Turn -79.46 -29.34 83.3 2HMV ASG ARG B 120 114 E Strand -144.95 134.23 88.0 2HMV ASG ILE B 121 115 E Strand -115.89 123.98 29.7 2HMV ASG ILE B 122 116 E Strand -106.58 136.46 0.0 2HMV ASG HIS B 123 117 C Coil -126.50 88.37 22.9 2HMV ASG PRO B 124 118 H AlphaHelix -43.20 -52.86 6.0 2HMV ASG GLU B 125 119 H AlphaHelix -59.96 -59.21 28.0 2HMV ASG LYS B 126 120 H AlphaHelix -57.85 -54.09 87.2 2HMV ASG ASP B 127 121 H AlphaHelix -57.50 -44.80 42.5 2HMV ASG MET B 128 122 H AlphaHelix -63.77 -35.47 0.8 2HMV ASG GLY B 129 123 H AlphaHelix -58.66 -43.45 0.0 2HMV ASG VAL B 130 124 H AlphaHelix -66.08 -40.68 39.5 2HMV ASG LYS B 131 125 H AlphaHelix -54.60 -49.61 74.5 2HMV ASG ILE B 132 126 H AlphaHelix -60.62 -38.24 0.0 2HMV ASG ALA B 133 127 H AlphaHelix -64.06 -45.66 0.0 2HMV ASG GLN B 134 128 H AlphaHelix -68.36 -30.44 71.7 2HMV ASG SER B 135 129 H AlphaHelix -70.52 -33.98 40.7 2HMV ASG LEU B 136 130 H AlphaHelix -66.01 -43.54 0.2 2HMV ASG SER B 137 131 H AlphaHelix -62.76 -51.11 13.1 2HMV ASG ASP B 138 132 G 310Helix -46.55 -15.02 103.8 2HMV ASG GLU B 139 133 G 310Helix -53.73 -31.51 68.7 2HMV ASG ASN B 140 134 G 310Helix -116.63 32.06 135.0 2HMV ASG VAL B 141 135 C Coil -108.20 360.00 147.7 2HMV REM 2HMV REM ------------------ Mainchain hydrogen bonds ------------------------ 2HMV REM 2HMV REM Definition of Stickle et al., J.Mol.Biol. 226:1143-1159, 1992 2HMV REM A1 is the angle between the planes of donor complex and O..N-C 2HMV REM A2 is the angle between the planes of acceptor complex and N..O=C 2HMV REM 2HMV HBT 228 2HMV HBI 0 2HMV HBC 114 2hmv.pdb A 139 2HMV HBC 114 2hmv.pdb B 135 2HMV REM 2HMV REM |--Residue 1--| |--Residue 2--| N-O N..O=C O..N-C A1 A2 2HMV ACC GLN A 8 2 -> TYR A 73 67 3.0 163.2 125.0 20.2 87.1 2HMV ACC PHE A 9 3 -> LEU A 33 27 3.0 142.4 117.0 16.4 46.5 2HMV DNR ALA A 10 4 -> TYR A 73 67 3.0 148.4 109.2 36.1 57.6 2HMV ACC ALA A 10 4 -> ILE A 75 69 3.0 161.2 112.1 8.5 49.2 2HMV DNR VAL A 11 5 -> LEU A 33 27 3.0 175.7 115.4 0.7 40.5 2HMV ACC VAL A 11 5 -> VAL A 35 29 3.0 170.1 117.3 17.9 38.9 2HMV DNR ILE A 12 6 -> ILE A 75 69 3.0 170.7 123.3 2.7 48.5 2HMV ACC ILE A 12 6 -> ALA A 77 71 3.0 159.9 127.4 11.3 80.1 2HMV DNR GLY A 13 7 -> VAL A 35 29 3.0 159.5 119.7 2.9 75.0 2HMV ACC GLY A 15 9 -> GLY A 19 13 3.0 152.9 136.6 13.7 54.2 2HMV ACC ARG A 16 10 -> SER A 20 14 3.2 136.2 135.6 33.3 80.3 2HMV ACC PHE A 17 11 -> SER A 20 14 3.2 106.8 128.1 54.4 76.8 2HMV ACC PHE A 17 11 -> ILE A 21 15 3.2 153.4 109.3 23.6 43.0 2HMV ACC GLY A 18 12 -> ILE A 21 15 3.1 111.8 119.3 49.9 87.2 2HMV ACC GLY A 18 12 -> VAL A 22 16 3.2 156.3 117.3 16.5 45.6 2HMV DNR GLY A 19 13 -> GLY A 15 9 3.0 152.9 136.6 13.7 54.2 2HMV ACC GLY A 19 13 -> LYS A 23 17 3.0 154.6 118.5 8.7 62.4 2HMV DNR SER A 20 14 -> ARG A 16 10 3.2 136.2 135.6 33.3 80.3 2HMV DNR SER A 20 14 -> PHE A 17 11 3.2 106.8 128.1 54.4 76.8 2HMV ACC SER A 20 14 -> GLU A 24 18 3.1 154.8 123.2 2.9 78.6 2HMV DNR ILE A 21 15 -> PHE A 17 11 3.2 153.4 109.3 23.6 43.0 2HMV DNR ILE A 21 15 -> GLY A 18 12 3.1 111.8 119.3 49.9 87.2 2HMV ACC ILE A 21 15 -> LEU A 25 19 3.0 153.0 128.6 10.4 85.1 2HMV DNR VAL A 22 16 -> GLY A 18 12 3.2 156.3 117.3 16.5 45.6 2HMV ACC VAL A 22 16 -> HIS A 26 20 3.0 157.9 122.1 10.9 61.9 2HMV DNR LYS A 23 17 -> GLY A 19 13 3.0 154.6 118.5 8.7 62.4 2HMV ACC LYS A 23 17 -> ARG A 27 21 3.0 166.0 116.1 11.7 25.1 2HMV DNR GLU A 24 18 -> SER A 20 14 3.1 154.8 123.2 2.9 78.6 2HMV ACC GLU A 24 18 -> MET A 28 22 3.0 156.9 118.3 18.5 66.4 2HMV DNR LEU A 25 19 -> ILE A 21 15 3.0 153.0 128.6 10.4 85.1 2HMV ACC LEU A 25 19 -> MET A 28 22 3.1 109.7 123.8 57.9 82.1 2HMV ACC LEU A 25 19 -> HIS A 30 24 3.0 143.6 131.9 8.1 74.3 2HMV DNR HIS A 26 20 -> VAL A 22 16 3.0 157.9 122.1 10.9 61.9 2HMV ACC HIS A 26 20 -> GLY A 29 23 3.0 115.1 138.0 7.3 81.9 2HMV DNR ARG A 27 21 -> LYS A 23 17 3.0 166.0 116.1 11.7 25.1 2HMV DNR MET A 28 22 -> GLU A 24 18 3.0 156.9 118.3 18.5 66.4 2HMV DNR MET A 28 22 -> LEU A 25 19 3.1 109.7 123.8 57.9 82.1 2HMV DNR GLY A 29 23 -> HIS A 26 20 3.0 115.1 138.0 7.3 81.9 2HMV DNR HIS A 30 24 -> LEU A 25 19 3.0 143.6 131.9 8.1 74.3 2HMV ACC VAL A 32 26 -> THR A 50 44 3.1 149.5 114.6 44.5 15.4 2HMV DNR LEU A 33 27 -> PHE A 9 3 3.0 142.4 117.0 16.4 46.5 2HMV ACC LEU A 33 27 -> VAL A 11 5 3.0 175.7 115.4 0.7 40.5 2HMV DNR ALA A 34 28 -> HIS A 51 45 3.0 164.4 117.5 11.7 24.4 2HMV ACC ALA A 34 28 -> VAL A 53 47 3.0 166.9 101.9 19.0 21.3 2HMV DNR VAL A 35 29 -> VAL A 11 5 3.0 170.1 117.3 17.9 38.9 2HMV ACC VAL A 35 29 -> GLY A 13 7 3.0 159.5 119.7 2.9 75.0 2HMV DNR ASP A 36 30 -> VAL A 53 47 3.2 166.0 102.7 9.0 0.1 2HMV ACC ASP A 36 30 -> ALA A 55 49 3.0 133.3 105.9 12.5 73.1 2HMV ACC ASN A 38 32 -> LYS A 41 35 3.3 108.6 132.7 40.5 73.0 2HMV ACC ASN A 38 32 -> VAL A 42 36 3.3 148.1 115.3 19.1 33.0 2HMV ACC GLU A 39 33 -> ASN A 43 37 3.0 161.1 116.7 19.2 69.0 2HMV ACC GLU A 40 34 -> ALA A 44 38 3.3 133.6 118.3 44.1 67.0 2HMV DNR LYS A 41 35 -> ASN A 38 32 3.3 108.6 132.7 40.5 73.0 2HMV ACC LYS A 41 35 -> ALA A 44 38 3.1 107.0 130.8 41.8 83.6 2HMV ACC LYS A 41 35 -> TYR A 45 39 3.4 151.2 100.0 39.5 53.8 2HMV DNR VAL A 42 36 -> ASN A 38 32 3.3 148.1 115.3 19.1 33.0 2HMV ACC VAL A 42 36 -> TYR A 45 39 3.4 107.0 131.0 22.8 78.1 2HMV DNR ASN A 43 37 -> GLU A 39 33 3.0 161.1 116.7 19.2 69.0 2HMV DNR ALA A 44 38 -> GLU A 40 34 3.3 133.6 118.3 44.1 67.0 2HMV DNR ALA A 44 38 -> LYS A 41 35 3.1 107.0 130.8 41.8 83.6 2HMV DNR TYR A 45 39 -> LYS A 41 35 3.4 151.2 100.0 39.5 53.8 2HMV DNR TYR A 45 39 -> VAL A 42 36 3.4 107.0 131.0 22.8 78.1 2HMV ACC TYR A 45 39 -> TYR A 48 42 3.2 111.3 134.9 6.4 78.9 2HMV ACC TYR A 45 39 -> ALA A 49 43 3.2 162.1 113.8 34.9 71.1 2HMV DNR TYR A 48 42 -> TYR A 45 39 3.2 111.3 134.9 6.4 78.9 2HMV DNR ALA A 49 43 -> TYR A 45 39 3.2 162.1 113.8 34.9 71.1 2HMV DNR THR A 50 44 -> VAL A 32 26 3.1 149.5 114.6 44.5 15.4 2HMV ACC HIS A 51 45 -> ALA A 34 28 3.0 164.4 117.5 11.7 24.4 2HMV DNR VAL A 53 47 -> ALA A 34 28 3.0 166.9 101.9 19.0 21.3 2HMV ACC VAL A 53 47 -> ASP A 36 30 3.2 166.0 102.7 9.0 0.1 2HMV DNR ALA A 55 49 -> ASP A 36 30 3.0 133.3 105.9 12.5 73.1 2HMV ACC ASN A 56 50 -> GLU A 59 53 3.0 121.1 131.6 16.4 78.0 2HMV DNR GLU A 59 53 -> ASN A 56 50 3.0 121.1 131.6 16.4 78.0 2HMV ACC GLU A 59 53 -> GLU A 62 56 3.2 118.9 109.7 59.8 86.2 2HMV ACC GLU A 59 53 -> LEU A 63 57 3.1 163.9 116.7 27.6 45.6 2HMV ACC ASN A 61 55 -> LEU A 64 58 3.0 120.0 130.0 39.3 84.1 2HMV ACC ASN A 61 55 -> SER A 65 59 3.0 160.4 107.9 8.0 3.0 2HMV DNR GLU A 62 56 -> GLU A 59 53 3.2 118.9 109.7 59.8 86.2 2HMV ACC GLU A 62 56 -> LEU A 66 60 3.0 144.8 120.6 36.8 76.3 2HMV DNR LEU A 63 57 -> GLU A 59 53 3.1 163.9 116.7 27.6 45.6 2HMV ACC LEU A 63 57 -> GLY A 67 61 3.3 136.9 109.2 39.9 56.3 2HMV ACC LEU A 63 57 -> ILE A 68 62 3.4 176.1 121.1 20.5 33.2 2HMV DNR LEU A 64 58 -> ASN A 61 55 3.0 120.0 130.0 39.3 84.1 2HMV ACC LEU A 64 58 -> GLY A 67 61 3.0 111.0 125.6 40.9 89.7 2HMV DNR SER A 65 59 -> ASN A 61 55 3.0 160.4 107.9 8.0 3.0 2HMV DNR LEU A 66 60 -> GLU A 62 56 3.0 144.8 120.6 36.8 76.3 2HMV DNR GLY A 67 61 -> LEU A 63 57 3.3 136.9 109.2 39.9 56.3 2HMV DNR GLY A 67 61 -> LEU A 64 58 3.0 111.0 125.6 40.9 89.7 2HMV ACC GLY A 67 61 -> ASN A 70 64 3.0 132.7 130.1 2.0 57.7 2HMV DNR ILE A 68 62 -> LEU A 63 57 3.4 176.1 121.1 20.5 33.2 2HMV ACC ILE A 68 62 -> PHE A 71 65 3.2 126.9 117.4 28.2 81.0 2HMV DNR ASN A 70 64 -> GLY A 67 61 3.0 132.7 130.1 2.0 57.7 2HMV DNR PHE A 71 65 -> ILE A 68 62 3.2 126.9 117.4 28.2 81.0 2HMV ACC GLU A 72 66 -> ASN A 99 93 3.0 166.0 120.3 44.1 74.7 2HMV DNR TYR A 73 67 -> GLN A 8 2 3.0 163.2 125.0 20.2 87.1 2HMV ACC TYR A 73 67 -> ALA A 10 4 3.0 148.4 109.2 36.1 57.6 2HMV DNR VAL A 74 68 -> ASN A 99 93 3.0 171.0 108.2 13.9 31.0 2HMV ACC VAL A 74 68 -> TRP A 101 95 3.1 160.2 111.4 8.9 46.8 2HMV DNR ILE A 75 69 -> ALA A 10 4 3.0 161.2 112.1 8.5 49.2 2HMV ACC ILE A 75 69 -> ILE A 12 6 3.0 170.7 123.3 2.7 48.5 2HMV DNR VAL A 76 70 -> TRP A 101 95 3.0 168.4 115.7 0.2 20.2 2HMV ACC VAL A 76 70 -> LYS A 103 97 3.0 176.3 111.5 7.5 19.5 2HMV DNR ALA A 77 71 -> ILE A 12 6 3.0 159.9 127.4 11.3 80.1 2HMV ACC GLY A 79 73 -> ASN A 81 75 3.0 97.5 101.8 7.5 38.7 2HMV DNR ASN A 81 75 -> GLY A 79 73 3.0 97.5 101.8 7.5 38.7 2HMV ACC ASN A 81 75 -> ALA A 84 78 3.2 119.7 112.7 54.5 85.9 2HMV ACC ASN A 81 75 -> SER A 85 79 3.0 165.2 124.3 13.1 35.0 2HMV ACC ILE A 82 76 -> THR A 86 80 3.0 161.1 120.5 8.9 71.7 2HMV ACC GLN A 83 77 -> LEU A 87 81 3.0 150.0 133.2 12.4 82.0 2HMV DNR ALA A 84 78 -> ASN A 81 75 3.2 119.7 112.7 54.5 85.9 2HMV ACC ALA A 84 78 -> THR A 88 82 3.0 149.2 128.5 5.1 86.8 2HMV DNR SER A 85 79 -> ASN A 81 75 3.0 165.2 124.3 13.1 35.0 2HMV ACC SER A 85 79 -> THR A 89 83 3.0 154.1 123.8 4.2 61.8 2HMV DNR THR A 86 80 -> ILE A 82 76 3.0 161.1 120.5 8.9 71.7 2HMV ACC THR A 86 80 -> LEU A 90 84 3.0 151.4 121.7 30.2 66.9 2HMV DNR LEU A 87 81 -> GLN A 83 77 3.0 150.0 133.2 12.4 82.0 2HMV ACC LEU A 87 81 -> LEU A 90 84 3.0 112.5 130.1 53.4 81.9 2HMV ACC LEU A 87 81 -> LEU A 91 85 3.0 162.8 108.5 11.2 32.1 2HMV DNR THR A 88 82 -> ALA A 84 78 3.0 149.2 128.5 5.1 86.8 2HMV ACC THR A 88 82 -> LEU A 91 85 3.0 118.5 112.9 57.7 87.5 2HMV ACC THR A 88 82 -> LEU A 92 86 3.0 169.6 119.8 6.0 34.8 2HMV DNR THR A 89 83 -> SER A 85 79 3.0 154.1 123.8 4.2 61.8 2HMV ACC THR A 89 83 -> LYS A 93 87 3.0 148.4 122.6 17.8 73.1 2HMV DNR LEU A 90 84 -> THR A 86 80 3.0 151.4 121.7 30.2 66.9 2HMV DNR LEU A 90 84 -> LEU A 87 81 3.0 112.5 130.1 53.4 81.9 2HMV ACC LEU A 90 84 -> GLU A 94 88 3.2 146.5 112.6 36.1 51.0 2HMV DNR LEU A 91 85 -> LEU A 87 81 3.0 162.8 108.5 11.2 32.1 2HMV DNR LEU A 91 85 -> THR A 88 82 3.0 118.5 112.9 57.7 87.5 2HMV ACC LEU A 91 85 -> GLU A 94 88 3.0 112.3 132.4 45.6 83.7 2HMV ACC LEU A 91 85 -> LEU A 95 89 3.0 159.6 105.5 24.4 34.0 2HMV DNR LEU A 92 86 -> THR A 88 82 3.0 169.6 119.8 6.0 34.8 2HMV ACC LEU A 92 86 -> LEU A 95 89 3.0 112.0 124.0 47.3 87.1 2HMV ACC LEU A 92 86 -> ASP A 96 90 3.4 150.3 92.9 58.0 44.6 2HMV ACC LEU A 92 86 -> ILE A 97 91 3.5 149.0 120.5 17.9 71.3 2HMV DNR LYS A 93 87 -> THR A 89 83 3.0 148.4 122.6 17.8 73.1 2HMV ACC LYS A 93 87 -> ASP A 96 90 3.3 100.2 142.0 3.6 76.9 2HMV DNR GLU A 94 88 -> LEU A 90 84 3.2 146.5 112.6 36.1 51.0 2HMV DNR GLU A 94 88 -> LEU A 91 85 3.0 112.3 132.4 45.6 83.7 2HMV DNR LEU A 95 89 -> LEU A 91 85 3.0 159.6 105.5 24.4 34.0 2HMV DNR LEU A 95 89 -> LEU A 92 86 3.0 112.0 124.0 47.3 87.1 2HMV DNR ASP A 96 90 -> LEU A 92 86 3.4 150.3 92.9 58.0 44.6 2HMV DNR ASP A 96 90 -> LYS A 93 87 3.3 100.2 142.0 3.6 76.9 2HMV DNR ILE A 97 91 -> LEU A 92 86 3.5 149.0 120.5 17.9 71.3 2HMV DNR ASN A 99 93 -> GLU A 72 66 3.0 166.0 120.3 44.1 74.7 2HMV ACC ASN A 99 93 -> VAL A 74 68 3.0 171.0 108.2 13.9 31.0 2HMV ACC ILE A 100 94 -> ASP A 119 113 3.0 161.2 120.3 24.4 8.7 2HMV ACC ILE A 100 94 -> ARG A 120 114 3.5 143.9 106.7 16.4 42.6 2HMV DNR TRP A 101 95 -> VAL A 74 68 3.1 160.2 111.4 8.9 46.8 2HMV ACC TRP A 101 95 -> VAL A 76 70 3.0 168.4 115.7 0.2 20.2 2HMV DNR VAL A 102 96 -> ARG A 120 114 3.0 166.8 108.8 4.0 36.2 2HMV ACC VAL A 102 96 -> ILE A 122 116 3.0 152.5 113.9 5.1 59.3 2HMV DNR LYS A 103 97 -> VAL A 76 70 3.0 176.3 111.5 7.5 19.5 2HMV DNR ALA A 104 98 -> ILE A 122 116 3.0 156.7 115.1 12.1 47.5 2HMV ACC ASN A 106 100 -> HIS A 110 104 3.0 157.3 121.7 12.2 45.8 2HMV ACC TYR A 107 101 -> LYS A 111 105 3.0 163.7 116.1 9.5 52.7 2HMV ACC TYR A 108 102 -> VAL A 112 106 3.2 161.0 111.5 16.6 47.0 2HMV ACC HIS A 109 103 -> VAL A 112 106 3.2 114.6 119.8 52.2 83.9 2HMV ACC HIS A 109 103 -> LEU A 113 107 3.0 164.6 122.5 12.3 43.9 2HMV DNR HIS A 110 104 -> ASN A 106 100 3.0 157.3 121.7 12.2 45.8 2HMV ACC HIS A 110 104 -> GLU A 114 108 3.0 166.1 118.1 14.2 74.5 2HMV DNR LYS A 111 105 -> TYR A 107 101 3.0 163.7 116.1 9.5 52.7 2HMV DNR VAL A 112 106 -> TYR A 108 102 3.2 161.0 111.5 16.6 47.0 2HMV DNR VAL A 112 106 -> HIS A 109 103 3.2 114.6 119.8 52.2 83.9 2HMV ACC VAL A 112 106 -> LYS A 115 109 3.2 113.7 120.5 54.4 80.3 2HMV ACC VAL A 112 106 -> ILE A 116 110 3.0 160.3 120.5 36.6 32.5 2HMV DNR LEU A 113 107 -> HIS A 109 103 3.0 164.6 122.5 12.3 43.9 2HMV ACC LEU A 113 107 -> ILE A 116 110 3.1 103.1 121.5 48.7 88.2 2HMV ACC LEU A 113 107 -> GLY A 117 111 3.2 154.2 108.1 38.3 79.3 2HMV ACC LEU A 113 107 -> ALA A 118 112 3.1 150.8 123.9 33.4 71.3 2HMV DNR GLU A 114 108 -> HIS A 110 104 3.0 166.1 118.1 14.2 74.5 2HMV DNR LYS A 115 109 -> VAL A 112 106 3.2 113.7 120.5 54.4 80.3 2HMV DNR ILE A 116 110 -> VAL A 112 106 3.0 160.3 120.5 36.6 32.5 2HMV DNR ILE A 116 110 -> LEU A 113 107 3.1 103.1 121.5 48.7 88.2 2HMV DNR GLY A 117 111 -> LEU A 113 107 3.2 154.2 108.1 38.3 79.3 2HMV DNR ALA A 118 112 -> LEU A 113 107 3.1 150.8 123.9 33.4 71.3 2HMV DNR ASP A 119 113 -> ILE A 100 94 3.0 161.2 120.3 24.4 8.7 2HMV DNR ARG A 120 114 -> ILE A 100 94 3.5 143.9 106.7 16.4 42.6 2HMV ACC ARG A 120 114 -> VAL A 102 96 3.0 166.8 108.8 4.0 36.2 2HMV DNR ILE A 122 116 -> VAL A 102 96 3.0 152.5 113.9 5.1 59.3 2HMV ACC ILE A 122 116 -> ALA A 104 98 3.0 156.7 115.1 12.1 47.5 2HMV ACC HIS A 123 117 -> ASP A 127 121 3.0 177.5 128.4 12.1 59.3 2HMV ACC PRO A 124 118 -> MET A 128 122 3.0 153.3 129.8 17.2 89.9 2HMV ACC GLU A 125 119 -> GLY A 129 123 3.1 144.1 123.1 35.5 58.6 2HMV ACC LYS A 126 120 -> GLY A 129 123 3.0 115.8 132.5 53.3 80.9 2HMV ACC LYS A 126 120 -> VAL A 130 124 3.1 159.0 101.8 18.7 19.9 2HMV DNR ASP A 127 121 -> HIS A 123 117 3.0 177.5 128.4 12.1 59.3 2HMV ACC ASP A 127 121 -> VAL A 130 124 3.2 106.0 122.9 51.9 84.0 2HMV ACC ASP A 127 121 -> LYS A 131 125 3.2 150.1 114.8 11.1 44.6 2HMV DNR MET A 128 122 -> PRO A 124 118 3.0 153.3 129.8 17.2 89.9 2HMV ACC MET A 128 122 -> ILE A 132 126 3.0 157.8 120.3 24.7 71.4 2HMV DNR GLY A 129 123 -> GLU A 125 119 3.1 144.1 123.1 35.5 58.6 2HMV DNR GLY A 129 123 -> LYS A 126 120 3.0 115.8 132.5 53.3 80.9 2HMV ACC GLY A 129 123 -> ILE A 132 126 3.4 102.1 123.2 54.1 84.6 2HMV ACC GLY A 129 123 -> ALA A 133 127 3.0 150.3 122.1 18.7 66.8 2HMV DNR VAL A 130 124 -> LYS A 126 120 3.1 159.0 101.8 18.7 19.9 2HMV DNR VAL A 130 124 -> ASP A 127 121 3.2 106.0 122.9 51.9 84.0 2HMV ACC VAL A 130 124 -> GLN A 134 128 3.0 157.4 114.8 15.5 38.1 2HMV DNR LYS A 131 125 -> ASP A 127 121 3.2 150.1 114.8 11.1 44.6 2HMV ACC LYS A 131 125 -> SER A 135 129 3.0 147.9 116.7 21.7 65.8 2HMV DNR ILE A 132 126 -> MET A 128 122 3.0 157.8 120.3 24.7 71.4 2HMV DNR ILE A 132 126 -> GLY A 129 123 3.4 102.1 123.2 54.1 84.6 2HMV ACC ILE A 132 126 -> SER A 135 129 3.1 105.7 117.9 58.1 89.1 2HMV ACC ILE A 132 126 -> LEU A 136 130 3.0 156.9 119.2 14.2 67.5 2HMV DNR ALA A 133 127 -> GLY A 129 123 3.0 150.3 122.1 18.7 66.8 2HMV ACC ALA A 133 127 -> SER A 137 131 3.0 159.0 116.8 10.6 45.2 2HMV DNR GLN A 134 128 -> VAL A 130 124 3.0 157.4 114.8 15.5 38.1 2HMV ACC GLN A 134 128 -> ASP A 138 132 3.0 154.6 121.2 14.6 66.2 2HMV DNR SER A 135 129 -> LYS A 131 125 3.0 147.9 116.7 21.7 65.8 2HMV DNR SER A 135 129 -> ILE A 132 126 3.1 105.7 117.9 58.1 89.1 2HMV ACC SER A 135 129 -> GLU A 139 133 3.0 154.9 116.3 21.5 61.8 2HMV DNR LEU A 136 130 -> ILE A 132 126 3.0 156.9 119.2 14.2 67.5 2HMV ACC LEU A 136 130 -> GLU A 139 133 3.1 111.2 122.6 54.1 84.3 2HMV DNR SER A 137 131 -> ALA A 133 127 3.0 159.0 116.8 10.6 45.2 2HMV ACC SER A 137 131 -> ASN A 140 134 3.1 118.8 125.7 44.1 77.0 2HMV ACC SER A 137 131 -> VAL A 141 135 3.0 176.5 122.8 23.4 18.7 2HMV DNR ASP A 138 132 -> GLN A 134 128 3.0 154.6 121.2 14.6 66.2 2HMV ACC ASP A 138 132 -> LEU A 142 136 3.2 126.1 128.8 52.8 41.3 2HMV ACC ASP A 138 132 -> ASN A 143 137 3.5 159.1 91.9 53.8 80.6 2HMV DNR GLU A 139 133 -> SER A 135 129 3.0 154.9 116.3 21.5 61.8 2HMV DNR GLU A 139 133 -> LEU A 136 130 3.1 111.2 122.6 54.1 84.3 2HMV ACC GLU A 139 133 -> TYR A 144 138 3.0 141.3 119.4 0.8 61.1 2HMV DNR ASN A 140 134 -> SER A 137 131 3.1 118.8 125.7 44.1 77.0 2HMV ACC ASN A 140 134 -> ASN A 143 137 3.0 104.5 145.2 40.7 79.6 2HMV DNR VAL A 141 135 -> SER A 137 131 3.0 176.5 122.8 23.4 18.7 2HMV DNR LEU A 142 136 -> ASP A 138 132 3.2 126.1 128.8 52.8 41.3 2HMV DNR ASN A 143 137 -> ASP A 138 132 3.5 159.1 91.9 53.8 80.6 2HMV DNR ASN A 143 137 -> ASN A 140 134 3.0 104.5 145.2 40.7 79.6 2HMV DNR TYR A 144 138 -> GLU A 139 133 3.0 141.3 119.4 0.8 61.1 2HMV ACC GLN B 8 1 -> TYR B 73 66 3.1 151.7 122.5 27.5 88.3 2HMV ACC PHE B 9 2 -> LEU B 33 26 3.0 152.8 116.7 0.5 50.7 2HMV DNR ALA B 10 3 -> TYR B 73 66 3.0 159.0 111.5 29.5 41.1 2HMV ACC ALA B 10 3 -> ILE B 75 68 3.0 172.1 113.0 0.2 0.1 2HMV DNR VAL B 11 4 -> LEU B 33 26 3.0 177.3 114.7 9.6 77.6 2HMV ACC VAL B 11 4 -> VAL B 35 28 3.0 169.9 117.5 27.5 46.5 2HMV DNR ILE B 12 5 -> ILE B 75 68 3.0 173.4 122.5 2.6 36.3 2HMV ACC ILE B 12 5 -> ALA B 77 70 3.0 168.4 131.3 4.1 56.1 2HMV DNR GLY B 13 6 -> VAL B 35 28 3.0 159.8 121.5 0.3 71.9 2HMV ACC GLY B 15 8 -> GLY B 19 12 3.0 143.9 140.3 4.0 70.4 2HMV ACC ARG B 16 9 -> SER B 20 13 3.2 137.3 137.7 18.6 86.0 2HMV ACC PHE B 17 10 -> SER B 20 13 3.2 113.0 122.2 59.1 77.4 2HMV ACC PHE B 17 10 -> ILE B 21 14 3.2 158.3 111.6 21.5 36.4 2HMV ACC GLY B 18 11 -> ILE B 21 14 3.3 106.8 120.5 51.8 84.0 2HMV ACC GLY B 18 11 -> VAL B 22 15 3.2 151.1 116.4 25.5 52.5 2HMV DNR GLY B 19 12 -> GLY B 15 8 3.0 143.9 140.3 4.0 70.4 2HMV ACC GLY B 19 12 -> VAL B 22 15 3.0 111.5 125.5 52.2 83.3 2HMV ACC GLY B 19 12 -> LYS B 23 16 3.0 162.6 115.4 10.5 45.4 2HMV DNR SER B 20 13 -> ARG B 16 9 3.2 137.3 137.7 18.6 86.0 2HMV DNR SER B 20 13 -> PHE B 17 10 3.2 113.0 122.2 59.1 77.4 2HMV ACC SER B 20 13 -> GLU B 24 17 3.0 152.6 122.3 19.3 67.8 2HMV DNR ILE B 21 14 -> PHE B 17 10 3.2 158.3 111.6 21.5 36.4 2HMV DNR ILE B 21 14 -> GLY B 18 11 3.3 106.8 120.5 51.8 84.0 2HMV ACC ILE B 21 14 -> GLU B 24 17 3.5 96.6 118.7 59.6 85.1 2HMV ACC ILE B 21 14 -> LEU B 25 18 3.0 147.6 126.1 8.3 81.1 2HMV DNR VAL B 22 15 -> GLY B 18 11 3.2 151.1 116.4 25.5 52.5 2HMV DNR VAL B 22 15 -> GLY B 19 12 3.0 111.5 125.5 52.2 83.3 2HMV ACC VAL B 22 15 -> HIS B 26 19 3.1 152.1 122.4 17.7 62.3 2HMV DNR LYS B 23 16 -> GLY B 19 12 3.0 162.6 115.4 10.5 45.4 2HMV ACC LYS B 23 16 -> ARG B 27 20 3.0 151.6 120.5 9.0 58.3 2HMV DNR GLU B 24 17 -> SER B 20 13 3.0 152.6 122.3 19.3 67.8 2HMV DNR GLU B 24 17 -> ILE B 21 14 3.5 96.6 118.7 59.6 85.1 2HMV ACC GLU B 24 17 -> MET B 28 21 3.0 161.5 117.5 19.0 57.2 2HMV DNR LEU B 25 18 -> ILE B 21 14 3.0 147.6 126.1 8.3 81.1 2HMV ACC LEU B 25 18 -> MET B 28 21 3.2 104.0 125.1 59.2 82.5 2HMV ACC LEU B 25 18 -> HIS B 30 23 3.0 150.0 134.1 7.4 73.8 2HMV DNR HIS B 26 19 -> VAL B 22 15 3.1 152.1 122.4 17.7 62.3 2HMV ACC HIS B 26 19 -> GLY B 29 22 3.0 123.1 132.7 29.2 79.5 2HMV DNR ARG B 27 20 -> LYS B 23 16 3.0 151.6 120.5 9.0 58.3 2HMV DNR MET B 28 21 -> GLU B 24 17 3.0 161.5 117.5 19.0 57.2 2HMV DNR MET B 28 21 -> LEU B 25 18 3.2 104.0 125.1 59.2 82.5 2HMV DNR GLY B 29 22 -> HIS B 26 19 3.0 123.1 132.7 29.2 79.5 2HMV DNR HIS B 30 23 -> LEU B 25 18 3.0 150.0 134.1 7.4 73.8 2HMV ACC VAL B 32 25 -> THR B 50 43 3.1 147.2 108.6 30.2 46.3 2HMV DNR LEU B 33 26 -> PHE B 9 2 3.0 152.8 116.7 0.5 50.7 2HMV ACC LEU B 33 26 -> VAL B 11 4 3.0 177.3 114.7 9.6 77.6 2HMV DNR ALA B 34 27 -> HIS B 51 44 3.0 160.0 112.9 9.9 19.0 2HMV ACC ALA B 34 27 -> VAL B 53 46 3.0 166.3 110.1 3.9 50.4 2HMV DNR VAL B 35 28 -> VAL B 11 4 3.0 169.9 117.5 27.5 46.5 2HMV ACC VAL B 35 28 -> GLY B 13 6 3.0 159.8 121.5 0.3 71.9 2HMV DNR ASP B 36 29 -> VAL B 53 46 3.3 156.8 98.9 3.9 40.3 2HMV ACC ASP B 36 29 -> ALA B 55 48 3.0 130.2 108.6 3.8 75.5 2HMV ACC ASN B 38 31 -> LYS B 41 34 3.0 119.1 126.6 45.6 78.6 2HMV ACC ASN B 38 31 -> VAL B 42 35 3.1 156.7 113.6 12.3 13.1 2HMV ACC GLU B 39 32 -> ASN B 43 36 3.0 163.4 116.0 14.7 68.5 2HMV ACC GLU B 40 33 -> ALA B 44 37 3.3 142.8 123.7 20.0 66.1 2HMV DNR LYS B 41 34 -> ASN B 38 31 3.0 119.1 126.6 45.6 78.6 2HMV ACC LYS B 41 34 -> ALA B 44 37 3.2 109.3 118.7 58.8 85.1 2HMV ACC LYS B 41 34 -> TYR B 45 38 3.5 152.8 101.9 38.0 54.0 2HMV DNR VAL B 42 35 -> ASN B 38 31 3.1 156.7 113.6 12.3 13.1 2HMV ACC VAL B 42 35 -> TYR B 45 38 3.3 110.2 133.9 22.5 74.4 2HMV DNR ASN B 43 36 -> GLU B 39 32 3.0 163.4 116.0 14.7 68.5 2HMV ACC ASN B 43 36 -> ALA B 46 39 3.1 109.4 125.1 11.2 86.1 2HMV DNR ALA B 44 37 -> GLU B 40 33 3.3 142.8 123.7 20.0 66.1 2HMV DNR ALA B 44 37 -> LYS B 41 34 3.2 109.3 118.7 58.8 85.1 2HMV DNR TYR B 45 38 -> LYS B 41 34 3.5 152.8 101.9 38.0 54.0 2HMV DNR TYR B 45 38 -> VAL B 42 35 3.3 110.2 133.9 22.5 74.4 2HMV ACC TYR B 45 38 -> TYR B 48 41 3.0 117.4 133.4 19.1 80.2 2HMV ACC TYR B 45 38 -> ALA B 49 42 3.2 164.2 108.5 32.7 36.2 2HMV DNR ALA B 46 39 -> ASN B 43 36 3.1 109.4 125.1 11.2 86.1 2HMV DNR TYR B 48 41 -> TYR B 45 38 3.0 117.4 133.4 19.1 80.2 2HMV DNR ALA B 49 42 -> TYR B 45 38 3.2 164.2 108.5 32.7 36.2 2HMV DNR THR B 50 43 -> VAL B 32 25 3.1 147.2 108.6 30.2 46.3 2HMV ACC HIS B 51 44 -> ALA B 34 27 3.0 160.0 112.9 9.9 19.0 2HMV DNR VAL B 53 46 -> ALA B 34 27 3.0 166.3 110.1 3.9 50.4 2HMV ACC VAL B 53 46 -> ASP B 36 29 3.3 156.8 98.9 3.9 40.3 2HMV DNR ALA B 55 48 -> ASP B 36 29 3.0 130.2 108.6 3.8 75.5 2HMV ACC ASN B 56 49 -> GLU B 59 52 3.0 127.5 130.7 4.4 69.3 2HMV DNR GLU B 59 52 -> ASN B 56 49 3.0 127.5 130.7 4.4 69.3 2HMV ACC GLU B 59 52 -> GLU B 62 55 3.0 121.1 121.9 51.5 83.3 2HMV ACC GLU B 59 52 -> LEU B 63 56 3.0 160.9 112.9 32.7 17.5 2HMV ACC GLU B 60 53 -> LEU B 63 56 3.0 105.7 131.9 48.6 83.0 2HMV ACC GLU B 60 53 -> LEU B 64 57 3.0 155.1 109.2 28.9 53.3 2HMV ACC ASN B 61 54 -> LEU B 64 57 3.3 101.0 125.6 47.5 84.3 2HMV ACC ASN B 61 54 -> SER B 65 58 3.0 152.4 120.6 14.1 65.7 2HMV DNR GLU B 62 55 -> GLU B 59 52 3.0 121.1 121.9 51.5 83.3 2HMV ACC GLU B 62 55 -> LEU B 66 59 3.2 133.5 123.5 50.7 79.1 2HMV DNR LEU B 63 56 -> GLU B 59 52 3.0 160.9 112.9 32.7 17.5 2HMV DNR LEU B 63 56 -> GLU B 60 53 3.0 105.7 131.9 48.6 83.0 2HMV ACC LEU B 63 56 -> LEU B 66 59 3.5 93.6 140.9 40.9 73.5 2HMV ACC LEU B 63 56 -> GLY B 67 60 3.2 138.0 110.1 37.2 53.3 2HMV ACC LEU B 63 56 -> ILE B 68 61 3.4 174.7 119.4 25.5 44.3 2HMV DNR LEU B 64 57 -> GLU B 60 53 3.0 155.1 109.2 28.9 53.3 2HMV DNR LEU B 64 57 -> ASN B 61 54 3.3 101.0 125.6 47.5 84.3 2HMV ACC LEU B 64 57 -> GLY B 67 60 3.0 106.7 122.3 45.7 87.8 2HMV DNR SER B 65 58 -> ASN B 61 54 3.0 152.4 120.6 14.1 65.7 2HMV DNR LEU B 66 59 -> GLU B 62 55 3.2 133.5 123.5 50.7 79.1 2HMV DNR LEU B 66 59 -> LEU B 63 56 3.5 93.6 140.9 40.9 73.5 2HMV DNR GLY B 67 60 -> LEU B 63 56 3.2 138.0 110.1 37.2 53.3 2HMV DNR GLY B 67 60 -> LEU B 64 57 3.0 106.7 122.3 45.7 87.8 2HMV ACC GLY B 67 60 -> ASN B 70 63 3.0 134.6 129.3 5.8 62.4 2HMV DNR ILE B 68 61 -> LEU B 63 56 3.4 174.7 119.4 25.5 44.3 2HMV ACC ILE B 68 61 -> PHE B 71 64 3.0 127.9 127.0 11.2 75.8 2HMV DNR ASN B 70 63 -> GLY B 67 60 3.0 134.6 129.3 5.8 62.4 2HMV DNR PHE B 71 64 -> ILE B 68 61 3.0 127.9 127.0 11.2 75.8 2HMV ACC GLU B 72 65 -> ASN B 99 92 3.0 159.1 121.7 43.4 72.0 2HMV DNR TYR B 73 66 -> GLN B 8 1 3.1 151.7 122.5 27.5 88.3 2HMV ACC TYR B 73 66 -> ALA B 10 3 3.0 159.0 111.5 29.5 41.1 2HMV DNR VAL B 74 67 -> ASN B 99 92 3.0 171.9 109.7 0.1 19.6 2HMV ACC VAL B 74 67 -> TRP B 101 94 3.0 157.3 108.1 11.7 47.1 2HMV DNR ILE B 75 68 -> ALA B 10 3 3.0 172.1 113.0 0.2 0.1 2HMV ACC ILE B 75 68 -> ILE B 12 5 3.0 173.4 122.5 2.6 36.3 2HMV DNR VAL B 76 69 -> TRP B 101 94 3.0 166.6 112.6 9.3 11.5 2HMV ACC VAL B 76 69 -> LYS B 103 96 3.0 175.4 111.7 3.1 75.6 2HMV DNR ALA B 77 70 -> ILE B 12 5 3.0 168.4 131.3 4.1 56.1 2HMV ACC ALA B 80 73 -> ILE B 82 75 3.0 100.4 95.1 24.4 39.9 2HMV ACC ASN B 81 74 -> ALA B 84 77 3.1 120.8 117.8 53.4 81.2 2HMV ACC ASN B 81 74 -> SER B 85 78 3.1 160.4 117.7 13.9 20.2 2HMV DNR ILE B 82 75 -> ALA B 80 73 3.0 100.4 95.1 24.4 39.9 2HMV ACC ILE B 82 75 -> THR B 86 79 3.0 158.4 116.9 4.4 69.1 2HMV ACC GLN B 83 76 -> LEU B 87 80 3.0 155.1 127.5 15.0 66.2 2HMV DNR ALA B 84 77 -> ASN B 81 74 3.1 120.8 117.8 53.4 81.2 2HMV ACC ALA B 84 77 -> THR B 88 81 3.0 153.6 130.0 10.8 85.3 2HMV DNR SER B 85 78 -> ASN B 81 74 3.1 160.4 117.7 13.9 20.2 2HMV ACC SER B 85 78 -> THR B 89 82 3.0 159.6 118.2 14.6 61.0 2HMV DNR THR B 86 79 -> ILE B 82 75 3.0 158.4 116.9 4.4 69.1 2HMV ACC THR B 86 79 -> THR B 89 82 3.5 101.0 116.2 59.2 86.6 2HMV ACC THR B 86 79 -> LEU B 90 83 3.1 147.5 122.8 31.8 68.3 2HMV DNR LEU B 87 80 -> GLN B 83 76 3.0 155.1 127.5 15.0 66.2 2HMV ACC LEU B 87 80 -> LEU B 90 83 3.1 108.8 127.7 52.8 83.5 2HMV ACC LEU B 87 80 -> LEU B 91 84 3.0 157.8 112.4 22.9 51.0 2HMV DNR THR B 88 81 -> ALA B 84 77 3.0 153.6 130.0 10.8 85.3 2HMV ACC THR B 88 81 -> LEU B 91 84 3.2 105.6 124.2 53.4 84.0 2HMV ACC THR B 88 81 -> LEU B 92 85 3.0 155.7 118.5 12.4 54.0 2HMV DNR THR B 89 82 -> SER B 85 78 3.0 159.6 118.2 14.6 61.0 2HMV DNR THR B 89 82 -> THR B 86 79 3.5 101.0 116.2 59.2 86.6 2HMV ACC THR B 89 82 -> LYS B 93 86 3.0 144.9 122.8 27.8 77.5 2HMV DNR LEU B 90 83 -> THR B 86 79 3.1 147.5 122.8 31.8 68.3 2HMV DNR LEU B 90 83 -> LEU B 87 80 3.1 108.8 127.7 52.8 83.5 2HMV ACC LEU B 90 83 -> LYS B 93 86 3.5 97.9 127.1 55.5 79.0 2HMV ACC LEU B 90 83 -> GLU B 94 87 3.2 141.8 113.8 30.3 55.8 2HMV DNR LEU B 91 84 -> LEU B 87 80 3.0 157.8 112.4 22.9 51.0 2HMV DNR LEU B 91 84 -> THR B 88 81 3.2 105.6 124.2 53.4 84.0 2HMV ACC LEU B 91 84 -> GLU B 94 87 3.0 112.8 126.0 50.5 86.4 2HMV ACC LEU B 91 84 -> LEU B 95 88 3.1 154.4 105.9 26.5 36.3 2HMV DNR LEU B 92 85 -> THR B 88 81 3.0 155.7 118.5 12.4 54.0 2HMV ACC LEU B 92 85 -> LEU B 95 88 3.1 105.2 129.8 47.9 83.2 2HMV ACC LEU B 92 85 -> ILE B 97 90 3.3 155.4 121.7 2.9 79.0 2HMV DNR LYS B 93 86 -> THR B 89 82 3.0 144.9 122.8 27.8 77.5 2HMV DNR LYS B 93 86 -> LEU B 90 83 3.5 97.9 127.1 55.5 79.0 2HMV ACC LYS B 93 86 -> ASP B 96 89 3.0 107.7 139.8 2.3 83.2 2HMV DNR GLU B 94 87 -> LEU B 90 83 3.2 141.8 113.8 30.3 55.8 2HMV DNR GLU B 94 87 -> LEU B 91 84 3.0 112.8 126.0 50.5 86.4 2HMV DNR LEU B 95 88 -> LEU B 91 84 3.1 154.4 105.9 26.5 36.3 2HMV DNR LEU B 95 88 -> LEU B 92 85 3.1 105.2 129.8 47.9 83.2 2HMV DNR ASP B 96 89 -> LYS B 93 86 3.0 107.7 139.8 2.3 83.2 2HMV DNR ILE B 97 90 -> LEU B 92 85 3.3 155.4 121.7 2.9 79.0 2HMV DNR ASN B 99 92 -> GLU B 72 65 3.0 159.1 121.7 43.4 72.0 2HMV ACC ASN B 99 92 -> VAL B 74 67 3.0 171.9 109.7 0.1 19.6 2HMV ACC ILE B 100 93 -> ASP B 119 112 3.0 165.7 123.8 25.5 16.0 2HMV DNR TRP B 101 94 -> VAL B 74 67 3.0 157.3 108.1 11.7 47.1 2HMV ACC TRP B 101 94 -> VAL B 76 69 3.0 166.6 112.6 9.3 11.5 2HMV DNR VAL B 102 95 -> ARG B 120 113 3.0 166.1 110.6 1.2 56.6 2HMV ACC VAL B 102 95 -> ILE B 122 115 3.0 145.9 110.5 2.2 59.9 2HMV DNR LYS B 103 96 -> VAL B 76 69 3.0 175.4 111.7 3.1 75.6 2HMV DNR ALA B 104 97 -> ILE B 122 115 3.0 159.5 113.5 6.8 45.5 2HMV ACC ASN B 106 99 -> HIS B 110 103 3.0 163.7 115.7 13.2 34.9 2HMV ACC TYR B 107 100 -> LYS B 111 104 3.0 159.4 120.0 11.3 60.5 2HMV ACC TYR B 108 101 -> VAL B 112 105 3.0 163.3 112.0 14.9 46.5 2HMV ACC HIS B 109 102 -> VAL B 112 105 3.2 107.9 116.6 57.6 87.3 2HMV ACC HIS B 109 102 -> LEU B 113 106 3.0 159.3 124.9 5.0 61.7 2HMV DNR HIS B 110 103 -> ASN B 106 99 3.0 163.7 115.7 13.2 34.9 2HMV ACC HIS B 110 103 -> GLU B 114 107 3.0 163.7 117.5 14.5 74.8 2HMV DNR LYS B 111 104 -> TYR B 107 100 3.0 159.4 120.0 11.3 60.5 2HMV DNR VAL B 112 105 -> TYR B 108 101 3.0 163.3 112.0 14.9 46.5 2HMV DNR VAL B 112 105 -> HIS B 109 102 3.2 107.9 116.6 57.6 87.3 2HMV ACC VAL B 112 105 -> LYS B 115 108 3.0 120.4 123.8 50.6 80.1 2HMV ACC VAL B 112 105 -> ILE B 116 109 3.0 162.1 110.5 45.3 13.9 2HMV DNR LEU B 113 106 -> HIS B 109 102 3.0 159.3 124.9 5.0 61.7 2HMV ACC LEU B 113 106 -> ILE B 116 109 3.1 103.5 132.4 35.3 86.5 2HMV ACC LEU B 113 106 -> GLY B 117 110 3.2 155.6 106.7 36.5 83.3 2HMV ACC LEU B 113 106 -> ALA B 118 111 3.1 152.4 131.1 2.0 86.5 2HMV DNR GLU B 114 107 -> HIS B 110 103 3.0 163.7 117.5 14.5 74.8 2HMV DNR LYS B 115 108 -> VAL B 112 105 3.0 120.4 123.8 50.6 80.1 2HMV DNR ILE B 116 109 -> VAL B 112 105 3.0 162.1 110.5 45.3 13.9 2HMV DNR ILE B 116 109 -> LEU B 113 106 3.1 103.5 132.4 35.3 86.5 2HMV DNR GLY B 117 110 -> LEU B 113 106 3.2 155.6 106.7 36.5 83.3 2HMV DNR ALA B 118 111 -> LEU B 113 106 3.1 152.4 131.1 2.0 86.5 2HMV DNR ASP B 119 112 -> ILE B 100 93 3.0 165.7 123.8 25.5 16.0 2HMV ACC ARG B 120 113 -> VAL B 102 95 3.0 166.1 110.6 1.2 56.6 2HMV DNR ILE B 122 115 -> VAL B 102 95 3.0 145.9 110.5 2.2 59.9 2HMV ACC ILE B 122 115 -> ALA B 104 97 3.0 159.5 113.5 6.8 45.5 2HMV ACC HIS B 123 116 -> ASP B 127 120 3.0 177.7 129.4 11.2 19.7 2HMV ACC PRO B 124 117 -> MET B 128 121 3.0 147.7 135.1 8.7 84.5 2HMV ACC GLU B 125 118 -> GLY B 129 122 3.0 152.0 124.8 25.4 57.7 2HMV ACC LYS B 126 119 -> VAL B 130 123 3.0 161.5 106.4 16.8 32.9 2HMV DNR ASP B 127 120 -> HIS B 123 116 3.0 177.7 129.4 11.2 19.7 2HMV ACC ASP B 127 120 -> VAL B 130 123 3.1 111.0 120.1 53.4 86.4 2HMV ACC ASP B 127 120 -> LYS B 131 124 3.1 154.4 117.3 12.2 41.3 2HMV DNR MET B 128 121 -> PRO B 124 117 3.0 147.7 135.1 8.7 84.5 2HMV ACC MET B 128 121 -> ILE B 132 125 3.0 163.4 113.6 10.2 57.8 2HMV DNR GLY B 129 122 -> GLU B 125 118 3.0 152.0 124.8 25.4 57.7 2HMV ACC GLY B 129 122 -> ALA B 133 126 3.1 152.7 118.5 19.0 61.3 2HMV DNR VAL B 130 123 -> LYS B 126 119 3.0 161.5 106.4 16.8 32.9 2HMV DNR VAL B 130 123 -> ASP B 127 120 3.1 111.0 120.1 53.4 86.4 2HMV ACC VAL B 130 123 -> ALA B 133 126 3.1 112.6 119.8 56.3 87.7 2HMV ACC VAL B 130 123 -> GLN B 134 127 3.0 164.1 117.7 8.5 55.4 2HMV DNR LYS B 131 124 -> ASP B 127 120 3.1 154.4 117.3 12.2 41.3 2HMV ACC LYS B 131 124 -> SER B 135 128 3.0 158.9 120.4 29.7 37.9 2HMV DNR ILE B 132 125 -> MET B 128 121 3.0 163.4 113.6 10.2 57.8 2HMV ACC ILE B 132 125 -> LEU B 136 129 3.0 150.2 117.4 30.8 73.8 2HMV DNR ALA B 133 126 -> GLY B 129 122 3.1 152.7 118.5 19.0 61.3 2HMV DNR ALA B 133 126 -> VAL B 130 123 3.1 112.6 119.8 56.3 87.7 2HMV ACC ALA B 133 126 -> LEU B 136 129 3.0 104.5 127.3 53.5 86.0 2HMV ACC ALA B 133 126 -> SER B 137 130 3.1 155.9 110.1 16.6 55.2 2HMV DNR GLN B 134 127 -> VAL B 130 123 3.0 164.1 117.7 8.5 55.4 2HMV ACC GLN B 134 127 -> ASP B 138 131 3.3 148.4 123.1 1.8 77.6 2HMV DNR SER B 135 128 -> LYS B 131 124 3.0 158.9 120.4 29.7 37.9 2HMV DNR LEU B 136 129 -> ILE B 132 125 3.0 150.2 117.4 30.8 73.8 2HMV DNR LEU B 136 129 -> ALA B 133 126 3.0 104.5 127.3 53.5 86.0 2HMV ACC LEU B 136 129 -> GLU B 139 132 3.2 112.2 140.7 5.9 66.2 2HMV DNR SER B 137 130 -> ALA B 133 126 3.1 155.9 110.1 16.6 55.2 2HMV ACC SER B 137 130 -> ASN B 140 133 3.0 145.2 116.0 2.2 46.1 2HMV DNR ASP B 138 131 -> GLN B 134 127 3.3 148.4 123.1 1.8 77.6 2HMV ACC ASP B 138 131 -> VAL B 141 134 3.0 111.2 127.7 17.9 85.8 2HMV DNR GLU B 139 132 -> LEU B 136 129 3.2 112.2 140.7 5.9 66.2 2HMV DNR ASN B 140 133 -> SER B 137 130 3.0 145.2 116.0 2.2 46.1 2HMV DNR VAL B 141 134 -> ASP B 138 131 3.0 111.2 127.7 17.9 85.8 2HMV