Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 0.89 21 6.6 0.20 0 2.1 0.17 0 13.3 1.54 2 0.96 20 6.9 0.25 0 2.0 0.17 0 19.4 1.89 3 1.03 22 7.5 0.34 0 1.8 0.16 2 19.1 2.90 4 1.05 21 7.3 0.30 0 2.2 0.17 0 18.1 1.64 5 1.06 28 7.4 0.26 0 2.5 0.16 0 13.1 1.67 6 1.15 18 6.8 0.37 0 2.1 0.15 6 32.7 5.37 7 1.23 23 8.0 0.25 0 2.7 0.19 1 22.3 3.60 8 1.24 22 7.0 0.21 1 2.6 0.26 3 25.7 6.16 9 1.25 27 8.3 0.23 0 2.9 0.17 0 19.1 1.68 10 1.25 31 8.8 0.22 0 3.1 0.16 0 22.2 1.92 11 1.26 29 7.9 0.25 0 2.3 0.16 5 33.6 4.75 12 1.27 28 8.4 0.28 0 2.5 0.17 3 24.0 3.12 13 1.27 29 8.5 0.28 0 2.6 0.16 1 18.8 3.62 14 1.29 28 7.7 0.25 0 2.9 0.17 2 27.6 3.68 15 1.34 26 8.2 0.23 0 2.8 0.16 3 30.1 3.88 16 1.34 27 8.1 0.25 0 3.0 0.17 2 26.1 4.34 17 1.40 33 9.3 0.33 0 2.4 0.17 0 19.5 1.91 18 1.44 31 8.9 0.43 0 2.9 0.16 2 26.5 3.54 19 1.52 28 7.9 0.25 0 3.2 0.19 5 33.3 4.98 20 1.53 31 8.3 0.29 0 3.3 0.17 2 27.7 7.38 Ave 1.24 26 7.9 0.27 0 2.6 0.17 2 23.6 3.48 +/- 0.17 4 0.7 0.06 0 0.4 0.02 2 6.0 1.62 Min 0.89 18 6.6 0.20 0 1.8 0.15 0 13.1 1.54 Max 1.53 33 9.3 0.43 1 3.3 0.26 6 33.6 7.38 Constraints violated in 1 or more structures: Cutoffs: Upper distance limits : 0.10 A Lower distance limits : 0.20 A Van der Waals : 0.20 A Angle constraints : 2.00 deg # mean max. 1 5 10 15 20 Upper HB3 LEU 68 - HN LYS+ 69 3.61 9 0.10 0.24 + ++ ++* + ++ Upper HA TYR 5 - HN ASP- 75 4.48 2 0.03 0.12 + * Upper HN LEU 7 - HB3 LEU 7 3.45 10 0.11 0.22 + + +* +++ ++ + Upper HN LEU 7 - HB2 LEU 7 3.45 4 0.06 0.23 + * + + Upper HB THR 11 - HN ASN 12 2.80 20 0.16 0.21 ++++++++++++*+++++++ Upper HN ASN 12 - HB2 ASN 12 3.39 16 0.16 0.22 +++++ *++ ++++++ ++ Upper HN ALA 13 - HA ALA 13 2.74 20 0.15 0.18 +++++*++++++++++++++ Upper HB2 LYS+ 20 - HN LYS+ 21 4.23 3 0.06 0.11 * + + Upper HA ALA 24 - HN GLY 25 3.11 2 0.06 0.25 * + Upper HB2 LEU 28 - HN ASN 29 3.45 13 0.10 0.14 + +++ + ++++ * ++ + Upper HB2 LYS+ 34 - HN LEU 35 3.45 1 0.05 0.12 * Upper HA LYS+ 32 - HB3 LEU 35 3.67 1 0.04 0.10 * Upper HB2 LEU 35 - HN GLU- 36 4.17 2 0.02 0.21 + * Upper HN ASP- 55 - HA ASP- 55 2.62 14 0.10 0.28 + ++ + +*++++++++ Upper HN GLN 56 - HA GLN 56 2.80 2 0.01 0.12 + * Upper HN GLN 56 - HB2 GLN 56 3.58 3 0.04 0.25 + + * Upper HN GLN 56 - HB3 GLN 56 3.58 2 0.03 0.27 + * Upper HA LEU 57 - HN GLY 59 3.73 5 0.08 0.14 ++ + * + Upper HB2 LEU 57 - HN LYS+ 58 4.17 1 0.02 0.11 * Upper HB THR 62 - HN ASP- 63 4.51 2 0.02 0.19 + * Upper HA SER 27 - HA2 GLY 64 4.57 8 0.09 0.15 + ++++ +*+ Upper HB2 ASP- 75 - HN GLY 76 3.55 1 0.02 0.11 * Upper HB ILE 9 - HN THR 10 3.83 6 0.06 0.13 + + +* + + Upper HN ASP- 83 - HB2 ASP- 83 3.17 11 0.09 0.21 + *+ ++ + ++++ + Upper HB2 ASP- 83 - HN VAL 84 4.14 1 0.02 0.22 * Upper HN ASP- 83 - HB3 ASP- 83 3.17 11 0.08 0.16 + ++ ++ + +++* + Upper HN ASP- 90 - HB3 ASP- 90 3.39 1 0.01 0.10 * Upper HN ASP- 52 - HB3 ASP- 52 3.33 4 0.04 0.20 * + + + Upper HB2 ASP- 52 - HN GLY 53 3.14 9 0.09 0.30 + +* +++ ++ + Upper HB2 ASP- 70 - HN LEU 71 3.52 20 0.14 0.19 +++++++++++++++*++++ Upper HB2 ASP- 63 - HN LYS+ 66 4.10 3 0.04 0.15 + + * Upper HA LYS+ 34 - HB2 LEU 37 3.27 1 0.03 0.12 * Upper HA LYS+ 33 - HB3 GLU- 36 3.45 4 0.08 0.30 + + + * Upper HA LYS+ 32 - HB2 LEU 35 3.67 3 0.05 0.43 + + * Upper HB3 PRO 23 - HN MET 26 4.23 4 0.07 0.25 + * ++ Upper HB2 GLU- 8 - HN ILE 9 4.14 2 0.05 0.13 * + Upper HA LEU 50 - HG LEU 50 3.58 1 0.01 0.10 * Upper HB3 TYR 5 - HG LEU 7 5.50 1 0.01 0.13 * Upper HG LEU 50 - HN PHE 51 3.98 1 0.02 0.34 * Upper HA LYS+ 33 - HG2 GLU- 36 4.29 2 0.05 0.15 + * Upper HA LYS+ 33 - HG3 GLU- 36 4.29 1 0.04 0.12 * Upper HA LYS+ 66 - HG3 LYS+ 66 3.92 1 0.03 0.13 * Upper HB3 TYR 5 - QD1 LEU 7 6.12 2 0.03 0.18 * + Upper HA GLU- 36 - QG2 THR 41 5.41 5 0.06 0.12 + + + + * Upper HN HIS+ 80 - HN ALA 81 4.45 1 0.05 0.12 * Upper HA GLN 56 - HN LEU 57 2.59 1 0.01 0.11 * Upper HB3 GLN 56 - HN LEU 57 3.55 1 0.03 0.13 * Upper HA VAL 4 - HN ALA 24 2.96 2 0.02 0.12 * + Upper HB2 ASP- 6 - HN LEU 7 3.92 7 0.08 0.28 ++ + * + + + Upper HB3 ASP- 6 - HN LEU 7 3.92 2 0.03 0.28 * + Upper HN VAL 84 - HB VAL 84 3.45 1 0.01 0.10 * Upper HN GLU- 36 - HB3 GLU- 36 3.27 13 0.12 0.18 + ++ ++++++ *+ ++ Upper HN MET 26 - HN LEU 68 4.04 2 0.04 0.19 * + Upper HA THR 11 - HN ALA 13 3.86 20 0.19 0.23 +++++++++++*++++++++ Upper HB2 ASN 12 - HN ALA 13 4.04 4 0.08 0.17 +* ++ Upper HB3 ASN 12 - HN ALA 13 4.04 4 0.06 0.13 + * ++ Upper HA SER 45 - HN MET 46 3.11 16 0.11 0.14 ++++++++ ++*+++++ Upper HB3 SER 45 - HN MET 46 3.98 1 0.02 0.10 * Upper HB2 SER 45 - HN MET 46 3.98 11 0.10 0.15 + ++ +++ ++ + +* Upper HA ASP- 6 - HN LYS+ 21 4.38 13 0.11 0.23 + +++ +*+ ++++ + + Upper HN ASP- 52 - HB2 ASP- 52 3.33 4 0.04 0.14 + + * + Upper HN LYS+ 34 - HB3 LYS+ 34 2.93 2 0.07 0.18 * + Upper HN ASP- 55 - HB3 ASP- 55 3.45 1 0.02 0.14 * Upper HA ALA 24 - HN LYS+ 69 3.61 1 0.03 0.13 * Upper HB2 ASP- 55 - HN GLN 56 3.83 2 0.02 0.33 + * Upper HA ARG+ 74 - HN ASP- 75 2.74 4 0.08 0.14 + + + * Upper HB THR 42 - HN VAL 43 3.02 1 0.01 0.11 * Upper HB VAL 84 - HN THR 85 4.14 1 0.01 0.11 * Upper HA LEU 61 - HN THR 62 2.86 12 0.12 0.28 ++ + ++ ++ ++ + +* Upper HA THR 41 - HN THR 42 2.74 4 0.05 0.25 +* + + Upper HB THR 41 - HN THR 42 3.11 2 0.04 0.37 * + Upper HB THR 10 - HN THR 11 2.74 4 0.07 0.29 + ++ * Upper HB3 LEU 71 - HN GLY 72 3.89 1 0.03 0.11 * Upper HN LEU 28 - HB3 LEU 28 3.05 3 0.08 0.13 * + + Upper HN LEU 28 - HN LYS+ 66 4.23 2 0.06 0.12 + * Upper HN ASP- 54 - HB3 ASP- 54 3.55 1 0.02 0.25 * Upper HN VAL 4 - HN ALA 24 3.95 2 0.07 0.12 + * Upper HN SER 67 - HN LYS+ 69 4.38 9 0.09 0.15 + + ++ + ++ *+ Upper HN SER 67 - HN LEU 68 4.42 20 0.14 0.18 ++++++++++++++++++*+ Upper HA TYR 5 - HN GLY 76 4.79 5 0.07 0.11 + + + + * Upper HN VAL 82 - HN ASP- 83 4.07 15 0.12 0.17 ++ ++ +++*+++ ++++ Upper HA LEU 35 - HN VAL 39 3.98 5 0.05 0.17 * + + ++ Upper HB3 LEU 57 - HN LYS+ 58 4.17 1 0.03 0.11 * Upper HN LYS+ 69 - HB3 ASP- 70 4.97 19 0.13 0.17 +++++++ +++++++*++++ Upper QA GLY 87 - HN ASP- 90 6.22 2 0.02 0.18 + * Upper HN THR 42 - HB THR 42 3.55 3 0.03 0.13 + + * Upper HN THR 11 - HB THR 11 3.21 19 0.16 0.22 ++++++++++++++++*+ + Upper HN ARG+ 74 - HN ASP- 75 4.32 20 0.16 0.25 +++++++++++++++*++++ Upper HB3 ASP- 55 - HN GLN 56 3.83 2 0.02 0.19 * + Upper HB3 PRO 23 - HN ALA 24 3.76 2 0.04 0.11 + * Upper HB3 ASP- 75 - HN GLY 76 3.55 4 0.05 0.12 + * + + Upper HB THR 11 - HN ALA 81 4.82 2 0.06 0.16 * + Upper HN ASP- 6 - HG LEU 7 5.50 2 0.01 0.20 + * Upper HB2 SER 45 - HN VAL 84 5.50 1 0.01 0.16 * Upper HB2 TYR 5 - HN TYR 22 5.50 1 0.01 0.22 * Upper QG2 THR 10 - HN ASN 12 6.53 3 0.05 0.16 ++ * Upper QB GLU- 19 - HN LYS+ 21 5.67 1 0.01 0.15 * Upper HN LYS+ 34 - QD LYS+ 34 4.09 4 0.03 0.17 ++ +* Upper HN GLN 56 - QB GLN 56 3.29 2 0.01 0.14 + * VdW O LEU 61 - OG1 THR 62 2.40 1 0.02 0.26 * Angle PHI TYR 5 236.00 262.00 1 0.78 2.16 * Angle PSI TYR 5 112.00 140.00 4 1.05 4.70 + + + * Angle PSI ASP- 6 116.00 142.00 6 1.18 4.34 ++ + + * + Angle PHI LEU 7 235.00 273.00 5 0.73 3.62 + + * + + Angle PSI LEU 7 129.00 155.00 3 1.59 5.37 * + + Angle PHI GLU- 8 213.00 249.00 3 1.20 4.47 * + + Angle PSI THR 11 144.00 166.00 1 0.96 2.38 * Angle PHI ASP- 30 284.00 304.00 1 0.24 2.55 * Angle PHI LYS+ 33 281.00 301.00 1 0.50 3.54 * Angle PHI VAL 43 272.00 300.00 2 0.48 2.28 + * Angle PSI GLN 49 140.00 160.00 1 0.71 2.13 * Angle PSI LEU 50 110.00 132.00 1 0.18 2.05 * Angle PHI LEU 57 278.00 302.00 1 0.38 2.25 * Angle PHI THR 62 83.00 103.00 2 0.68 7.38 + * Angle PHI LYS+ 69 285.00 305.00 2 0.87 3.12 * + Angle PHI ILE 79 234.00 258.00 1 0.18 2.90 * Angle PSI ASN 88 124.00 160.00 2 0.39 3.93 * + 99 violated distance constraints. 1 violated van der Waals constraint. 17 violated angle constraints. RMSDs for residues 1..85: Average backbone RMSD to mean : 0.53 +/- 0.12 A (0.32..0.76 A) Average heavy atom RMSD to mean : 1.06 +/- 0.14 A (0.84..1.42 A) Pairwise RMSD table [A]: (Mean structure is "selected atoms" fitted for residues 1..85.) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean 1 0.53 0.53 0.51 0.62 0.62 0.71 0.42 0.67 0.86 0.65 0.87 0.62 0.60 0.55 0.53 0.75 0.59 0.69 0.74 0.32 2 1.24 0.66 0.80 0.84 0.72 0.82 0.60 0.68 0.91 0.67 1.01 0.70 0.63 0.69 0.71 0.74 0.64 0.68 0.92 0.48 3 1.20 1.29 0.55 0.62 0.70 0.68 0.50 0.64 0.99 0.86 0.84 0.61 0.78 0.61 0.58 0.80 0.67 0.79 0.85 0.43 4 1.34 1.50 1.27 0.47 0.82 0.82 0.58 0.74 1.01 0.87 0.97 0.67 0.73 0.70 0.58 0.91 0.81 0.84 0.58 0.49 5 1.33 1.40 1.26 1.34 0.80 0.89 0.65 0.85 0.94 0.92 0.98 0.56 0.79 0.63 0.55 0.81 0.77 0.91 0.61 0.51 6 1.48 1.42 1.47 1.67 1.50 0.60 0.65 0.96 0.63 0.57 0.81 0.81 0.99 0.69 0.59 0.78 0.62 0.77 0.94 0.49 7 1.50 1.56 1.40 1.55 1.70 1.30 0.64 0.79 0.85 0.83 0.92 0.96 1.04 0.78 0.60 0.89 0.80 0.86 0.99 0.59 8 1.15 1.16 1.13 1.23 1.23 1.37 1.41 0.61 0.92 0.76 0.86 0.62 0.71 0.49 0.51 0.66 0.63 0.67 0.84 0.35 9 1.53 1.42 1.48 1.42 1.58 1.56 1.48 1.38 1.13 0.93 1.13 0.77 0.67 0.68 0.68 0.94 0.78 0.83 0.97 0.60 10 1.81 1.80 1.81 1.89 1.79 1.48 1.66 1.77 1.91 0.70 0.90 0.95 1.10 0.87 0.78 0.92 0.80 0.95 0.98 0.71 11 1.50 1.49 1.62 1.63 1.60 1.23 1.39 1.46 1.54 1.49 0.95 0.86 0.84 0.73 0.71 0.94 0.78 0.71 0.95 0.57 12 1.70 1.82 1.71 1.76 1.78 1.86 1.91 1.67 2.03 1.74 1.92 0.95 1.22 0.92 0.89 1.00 0.90 0.91 1.05 0.76 13 1.45 1.31 1.42 1.50 1.31 1.60 1.79 1.34 1.67 1.80 1.66 1.72 0.76 0.53 0.61 0.60 0.62 0.86 0.90 0.49 14 1.35 1.36 1.47 1.57 1.48 1.52 1.48 1.42 1.31 1.85 1.37 2.06 1.67 0.73 0.78 0.97 0.82 0.89 0.83 0.63 15 1.38 1.47 1.36 1.27 1.37 1.62 1.60 1.21 1.48 1.80 1.52 1.69 1.37 1.53 0.57 0.66 0.59 0.79 0.92 0.42 16 1.46 1.50 1.52 1.47 1.40 1.27 1.34 1.36 1.33 1.60 1.26 1.77 1.44 1.33 1.44 0.68 0.63 0.80 0.77 0.36 17 1.47 1.45 1.51 1.63 1.34 1.58 1.74 1.31 1.76 1.72 1.63 1.76 1.41 1.70 1.48 1.57 0.61 0.93 1.11 0.61 18 1.49 1.52 1.52 1.63 1.53 1.35 1.49 1.46 1.53 1.61 1.46 1.82 1.50 1.48 1.50 1.42 1.55 0.88 1.00 0.48 19 1.59 1.60 1.69 1.64 1.69 1.58 1.60 1.61 1.47 1.79 1.33 1.87 1.75 1.41 1.63 1.28 1.78 1.75 0.91 0.60 20 1.54 1.64 1.61 1.53 1.46 1.50 1.62 1.61 1.55 1.66 1.60 2.02 1.74 1.50 1.80 1.48 1.84 1.66 1.65 0.69 mean 0.93 0.97 0.95 1.04 0.98 1.00 1.08 0.84 1.08 1.32 1.02 1.42 1.08 1.04 1.01 0.91 1.13 1.06 1.17 1.19 Average pairwise RMSD of each structure to the rest of the bundle: Structure 1 (bb ): 0.63 +/- 0.12 A (0.42..0.87 A) (heavy): 1.45 +/- 0.16 A (1.15..1.81 A) Structure 2 (bb ): 0.74 +/- 0.12 A (0.53..1.01 A) (heavy): 1.47 +/- 0.17 A (1.16..1.82 A) Structure 3 (bb ): 0.70 +/- 0.13 A (0.50..0.99 A) (heavy): 1.46 +/- 0.18 A (1.13..1.81 A) Structure 4 (bb ): 0.74 +/- 0.16 A (0.47..1.01 A) (heavy): 1.52 +/- 0.17 A (1.23..1.89 A) Structure 5 (bb ): 0.75 +/- 0.15 A (0.47..0.98 A) (heavy): 1.48 +/- 0.17 A (1.23..1.79 A) Structure 6 (bb ): 0.74 +/- 0.13 A (0.57..0.99 A) (heavy): 1.49 +/- 0.15 A (1.23..1.86 A) Structure 7 (bb ): 0.81 +/- 0.13 A (0.60..1.04 A) (heavy): 1.55 +/- 0.16 A (1.30..1.91 A) Structure 8 (bb ): 0.65 +/- 0.13 A (0.42..0.92 A) (heavy): 1.38 +/- 0.18 A (1.13..1.77 A) Structure 9 (bb ): 0.81 +/- 0.16 A (0.61..1.13 A) (heavy): 1.55 +/- 0.18 A (1.31..2.03 A) Structure 10 (bb ): 0.90 +/- 0.12 A (0.63..1.13 A) (heavy): 1.74 +/- 0.12 A (1.48..1.91 A) Structure 11 (bb ): 0.80 +/- 0.12 A (0.57..0.95 A) (heavy): 1.51 +/- 0.16 A (1.23..1.92 A) Structure 12 (bb ): 0.95 +/- 0.10 A (0.81..1.22 A) (heavy): 1.82 +/- 0.12 A (1.67..2.06 A) Structure 13 (bb ): 0.74 +/- 0.15 A (0.53..0.96 A) (heavy): 1.55 +/- 0.17 A (1.31..1.80 A) Structure 14 (bb ): 0.84 +/- 0.16 A (0.60..1.22 A) (heavy): 1.52 +/- 0.19 A (1.31..2.06 A) Structure 15 (bb ): 0.69 +/- 0.12 A (0.49..0.92 A) (heavy): 1.50 +/- 0.16 A (1.21..1.80 A) Structure 16 (bb ): 0.66 +/- 0.11 A (0.51..0.89 A) (heavy): 1.43 +/- 0.13 A (1.26..1.77 A) Structure 17 (bb ): 0.83 +/- 0.14 A (0.60..1.11 A) (heavy): 1.59 +/- 0.16 A (1.31..1.84 A) Structure 18 (bb ): 0.73 +/- 0.12 A (0.59..1.00 A) (heavy): 1.54 +/- 0.11 A (1.35..1.82 A) Structure 19 (bb ): 0.82 +/- 0.09 A (0.67..0.95 A) (heavy): 1.62 +/- 0.16 A (1.28..1.87 A) Structure 20 (bb ): 0.89 +/- 0.14 A (0.58..1.11 A) (heavy): 1.63 +/- 0.14 A (1.46..2.02 A) Mean structure (bb ): 0.53 +/- 0.12 A (0.32..0.76 A) (heavy): 1.06 +/- 0.14 A (0.84..1.42 A) Average global and local displacements [A]: backbone heavy atoms backbone heavy atoms 1 MET : 1.48 2.06 0.00 0.00 2 THR : 0.75 1.12 0.15 0.71 3 GLU- : 0.38 1.01 0.18 0.75 4 VAL : 0.28 0.42 0.06 0.11 5 TYR : 0.31 2.74 0.08 2.55 6 ASP- : 0.31 0.85 0.08 0.77 7 LEU : 0.30 0.87 0.04 0.87 8 GLU- : 0.30 0.74 0.03 0.47 9 ILE : 0.29 0.54 0.05 0.33 10 THR : 0.27 0.46 0.06 0.34 11 THR : 0.28 0.30 0.03 0.06 12 ASN : 0.37 0.89 0.02 0.87 13 ALA : 0.43 0.45 0.02 0.03 14 THR : 0.40 0.47 0.04 0.17 15 ASP- : 0.39 0.93 0.03 0.82 16 PHE : 0.41 1.74 0.05 1.75 17 PRO : 0.36 0.40 0.02 0.03 18 MET : 0.33 0.89 0.04 0.79 19 GLU- : 0.35 0.88 0.03 0.73 20 LYS+ : 0.31 0.76 0.05 0.66 21 LYS+ : 0.27 0.78 0.07 0.69 22 TYR : 0.28 0.90 0.06 0.78 23 PRO : 0.28 0.30 0.03 0.04 24 ALA : 0.27 0.29 0.02 0.05 25 GLY : 0.30 0.32 0.03 0.07 26 MET : 0.29 0.68 0.04 0.56 27 SER : 0.33 0.37 0.04 0.08 28 LEU : 0.37 0.70 0.02 0.59 29 ASN : 0.42 0.77 0.03 0.53 30 ASP- : 0.39 0.75 0.03 0.58 31 LEU : 0.36 0.65 0.03 0.51 32 LYS+ : 0.39 1.04 0.03 1.04 33 LYS+ : 0.39 0.70 0.03 0.54 34 LYS+ : 0.39 1.13 0.02 1.03 35 LEU : 0.41 0.81 0.03 0.57 36 GLU- : 0.40 1.42 0.02 1.25 37 LEU : 0.38 0.49 0.04 0.17 38 VAL : 0.48 0.56 0.03 0.09 39 VAL : 0.45 0.47 0.03 0.07 40 GLY : 0.46 0.48 0.03 0.04 41 THR : 0.44 0.55 0.06 0.21 42 THR : 0.46 0.67 0.12 0.45 43 VAL : 0.63 0.82 0.07 0.19 44 ASP- : 0.68 1.09 0.09 0.58 45 SER : 0.51 0.57 0.10 0.14 46 MET : 0.51 1.06 0.08 0.91 47 ARG+ : 0.42 1.41 0.08 1.29 48 ILE : 0.35 0.64 0.05 0.53 49 GLN : 0.26 0.84 0.03 0.83 50 LEU : 0.28 0.73 0.06 0.61 51 PHE : 0.33 0.98 0.14 0.87 52 ASP- : 0.51 1.40 0.18 1.23 53 GLY : 0.99 1.16 0.25 0.54 54 ASP- : 1.20 1.92 0.38 1.30 55 ASP- : 1.11 1.86 0.31 0.99 56 GLN : 0.84 1.62 0.16 1.15 57 LEU : 0.63 0.76 0.05 0.30 58 LYS+ : 0.60 1.11 0.06 0.67 59 GLY : 0.66 0.63 0.14 0.15 60 GLU- : 0.58 1.25 0.07 1.07 61 LEU : 0.42 0.82 0.09 0.68 62 THR : 0.49 0.66 0.05 0.26 63 ASP- : 0.44 0.87 0.19 0.74 64 GLY : 0.40 0.43 0.13 0.16 65 ALA : 0.40 0.44 0.04 0.08 66 LYS+ : 0.35 0.90 0.05 0.82 67 SER : 0.32 0.37 0.05 0.13 68 LEU : 0.29 0.47 0.02 0.29 69 LYS+ : 0.26 0.98 0.02 0.93 70 ASP- : 0.26 0.67 0.02 0.53 71 LEU : 0.26 0.36 0.02 0.13 72 GLY : 0.32 0.38 0.05 0.14 73 VAL : 0.32 0.43 0.09 0.23 74 ARG+ : 0.30 1.10 0.06 1.02 75 ASP- : 0.31 0.85 0.05 0.76 76 GLY : 0.36 0.41 0.06 0.15 77 TYR : 0.29 0.86 0.07 0.80 78 ARG+ : 0.31 1.68 0.06 1.76 79 ILE : 0.29 0.48 0.06 0.40 80 HIS+ : 0.25 0.27 0.04 0.11 81 ALA : 0.31 0.33 0.02 0.03 82 VAL : 0.43 0.47 0.03 0.10 83 ASP- : 0.57 1.34 0.08 1.22 84 VAL : 0.63 0.87 0.07 0.65 85 THR : 0.80 0.96 0.03 0.44 86 GLY : 1.01 1.06 0.04 0.08 87 GLY : 1.10 1.20 0.18 0.41 88 ASN : 1.35 1.78 0.27 1.22 89 GLU- : 2.12 2.77 0.47 1.30 90 ASP- : 3.17 3.98 0.00 0.00