Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 5.12 36 22.5 0.44 0 4.2 0.19 0 48.4 4.13
2 5.77 40 24.9 0.43 0 5.4 0.19 0 56.0 3.83
3 5.78 39 23.8 0.56 0 4.9 0.18 0 57.8 3.97
4 6.13 41 25.8 0.49 0 5.2 0.19 0 32.9 3.50
5 6.16 48 25.5 0.43 0 5.0 0.17 0 60.2 4.73
6 6.22 44 25.3 0.43 1 5.2 0.24 0 51.2 3.84
7 6.38 49 25.9 0.63 0 4.2 0.17 0 53.4 3.77
8 6.43 40 25.2 0.59 1 6.2 0.21 2 53.3 5.89
9 6.56 42 26.0 0.59 0 4.9 0.16 0 54.5 4.34
10 6.71 45 26.8 0.62 0 5.7 0.17 0 53.0 4.54
11 6.77 45 26.4 0.49 0 6.1 0.19 0 67.3 4.44
12 6.77 41 25.6 0.52 0 6.4 0.18 2 65.4 6.30
13 6.77 44 26.1 0.48 0 6.0 0.19 2 71.4 6.49
14 6.78 42 25.7 0.50 0 6.3 0.19 1 71.2 5.76
15 6.79 41 26.4 0.61 0 5.3 0.18 0 47.3 3.33
16 6.81 51 25.9 0.51 0 5.9 0.18 0 52.9 3.23
17 6.81 43 26.5 0.61 0 5.4 0.18 0 54.5 3.82
18 6.89 45 26.4 0.52 0 5.0 0.17 3 87.3 6.83
19 6.97 43 26.7 0.50 0 6.3 0.19 1 72.3 5.47
20 7.01 44 26.6 0.63 0 5.0 0.19 1 59.9 6.41
Ave 6.48 43 25.7 0.53 0 5.4 0.19 1 58.5 4.73
+/- 0.48 3 1.0 0.07 0 0.6 0.02 1 11.3 1.14
Min 5.12 36 22.5 0.43 0 4.2 0.16 0 32.9 3.23
Max 7.01 51 26.8 0.63 1 6.4 0.24 3 87.3 6.83
Constraints violated in 1 or more structures:
Cutoffs: Upper distance limits : 0.20 A
Lower distance limits : 0.20 A
Angle constraints : 5.00 deg
# mean max. 1 5 10 15 20
Upper HA MET 26 - HB3 MET 26 2.80 3 0.20 0.25 + + *
Upper HA THR 11 - HB THR 11 2.68 12 0.20 0.26 +++ + ++ ++ +++ *
Upper HN GLU- 3 - HA GLU- 3 2.40 20 0.23 0.29 ++++++++*+++++++++++
Upper HN VAL 4 - HB VAL 4 3.14 17 0.24 0.35 +++++++ +++ +++* +++
Upper HB VAL 4 - HN TYR 5 3.24 5 0.18 0.23 ++ + + *
Upper HN ASP- 6 - HB3 ASP- 6 3.14 14 0.23 0.48 ++ + ++++*+++ +++
Upper HB2 LEU 7 - HN GLU- 8 3.73 4 0.05 0.30 + + * +
Upper HA THR 41 - HN THR 42 2.74 4 0.06 0.30 * + + +
Upper HN GLU- 19 - HB2 GLU- 19 3.08 15 0.30 0.47 + ++ ++++ +*+++ +++
Upper HB2 GLU- 19 - HN LYS+ 20 3.80 1 0.02 0.46 *
Upper HB2 LYS+ 20 - HN LYS+ 21 3.92 18 0.26 0.40 ++++++ +++++++ +++*+
Upper HB2 LEU 35 - HN GLU- 36 4.01 2 0.03 0.30 + *
Upper HN GLU- 36 - HB3 GLU- 36 3.24 18 0.27 0.31 + *++++++++++++++++
Upper HN LEU 37 - HB2 LEU 37 3.05 20 0.24 0.26 ++++++++++*+++++++++
Upper HA VAL 38 - HN VAL 39 3.27 20 0.33 0.33 ++++++++++*+++++++++
Upper HA VAL 39 - HN THR 41 3.86 13 0.21 0.25 ++*++++++ + + ++
Upper HB THR 41 - HN THR 42 3.11 4 0.08 0.38 + + + *
Upper HA THR 41 - HB THR 41 2.83 16 0.18 0.23 + ++++++*++ ++++ ++
Upper HB2 SER 45 - HN MET 46 3.98 4 0.16 0.24 + + + *
Upper HB2 MET 46 - HN ARG+ 47 4.07 1 0.11 0.20 *
Upper HB2 PHE 51 - HN ASP- 52 4.29 1 0.08 0.20 *
Upper HB2 GLN 56 - HN LEU 57 3.92 13 0.22 0.50 ++ ++++++++ +*+
Upper HB THR 62 - HN ASP- 63 3.76 20 0.28 0.33 +++++*++++++++++++++
Upper HA LYS+ 66 - HN SER 67 2.68 6 0.16 0.25 + + *+ ++
Upper HA ASP- 70 - HN LEU 71 3.21 20 0.37 0.39 ++++++++++++++++++*+
Upper HA ASP- 75 - HB3 ASP- 75 2.83 1 0.08 0.22 *
Upper HN ASP- 75 - HB2 ASP- 75 3.08 11 0.20 0.37 ++ + + ++++++*
Upper HA ARG+ 78 - HB ILE 79 3.80 20 0.32 0.37 ++++++++*+++++++++++
Upper HN VAL 84 - HB VAL 84 3.30 4 0.05 0.25 * + ++
Upper HN PHE 91 - HB2 PHE 91 3.14 1 0.02 0.31 *
Upper HA VAL 97 - HN GLU- 98 2.74 1 0.02 0.36 *
Upper HA ASP- 52 - HN GLY 53 3.30 2 0.03 0.27 * +
Upper HB2 ASP- 52 - HN GLY 53 3.33 5 0.10 0.36 + * ++ +
Upper HB2 PHE 16 - HD3 PRO 17 4.29 2 0.10 0.24 * +
Upper HB3 PHE 16 - HD3 PRO 17 4.29 1 0.09 0.24 *
Upper HG3 GLN 56 - HN LEU 57 5.16 1 0.04 0.31 *
Upper HG LEU 50 - HA ILE 79 4.32 2 0.08 0.21 + *
Upper HA LYS+ 33 - HG2 GLU- 36 3.70 15 0.27 0.49 + +++ +*+++++++++
Upper HA GLU- 36 - QG2 THR 41 4.95 1 0.09 0.33 *
Upper HN GLY 25 - HA MET 26 4.23 5 0.15 0.28 + * + + +
Upper HN HIS 80 - HN ALA 81 4.20 13 0.21 0.25 ++++ ++ ++ ++*++
Upper HA THR 10 - HN ALA 81 4.23 17 0.27 0.44 ++ +++++++*+ ++++ ++
Upper HN ARG+ 47 - HA ALA 81 3.83 19 0.28 0.38 *++++++++++++++ ++++
Upper HN MET 46 - HN ARG+ 47 4.11 20 0.28 0.31 +++++++++*++++++++++
Upper HN ALA 24 - HN MET 26 4.01 19 0.27 0.33 ++++++++++++*+++ +++
Upper HN LEU 7 - HB3 LEU 7 3.45 5 0.15 0.28 * + ++ +
Upper HB2 ASP- 6 - HN LEU 7 3.92 5 0.09 0.51 +++ + *
Upper HB3 ASP- 6 - HN LEU 7 3.92 5 0.14 0.45 +++ + *
Upper HN VAL 97 - HN GLU- 98 3.76 1 0.02 0.26 *
Upper HN ASP- 6 - HN TYR 77 4.76 2 0.11 0.30 * +
Upper HA LEU 68 - HN ASP- 70 3.83 15 0.25 0.31 ++* +++ + +++++ +++
Upper HN ASP- 63 - HB3 ASP- 63 3.02 9 0.21 0.54 ++++ +*++ +
Upper HB3 ASP- 83 - HN VAL 84 3.92 3 0.04 0.26 + * +
Upper HN MET 26 - HN SER 27 4.04 20 0.37 0.61 ++++++++++++++++*+++
Upper HA MET 26 - HN SER 27 2.52 18 0.35 0.46 +++++++++ ++*+++ +++
Upper HA GLU- 89 - HN ASP- 90 3.05 1 0.02 0.49 *
Upper HN ASP- 54 - HB3 ASP- 54 3.30 9 0.14 0.43 + + + + +++* +
Upper HA ASP- 6 - HN LYS+ 21 4.38 4 0.14 0.25 *+ + +
Upper HN GLY 59 - HN GLU- 60 4.11 19 0.24 0.26 + +++++++++*++++++++
Upper HB ILE 9 - HN THR 10 3.83 2 0.13 0.24 *+
Upper HN LYS+ 66 - HB2 LYS+ 66 3.14 8 0.23 0.63 +++++ ++ *
Upper HN LYS+ 66 - HB3 LYS+ 66 3.14 4 0.14 0.49 * + + +
Upper HB2 ASP- 63 - HN LYS+ 66 4.11 1 0.08 0.20 *
Upper HB2 LEU 28 - HN ASN 29 3.45 1 0.12 0.22 *
Upper HA ASP- 15 - HN PHE 16 3.33 2 0.03 0.23 + *
Upper HA1 GLY 53 - HN ASP- 55 4.07 1 0.05 0.41 *
Upper HB3 LEU 68 - HN LYS+ 69 3.61 6 0.16 0.29 ++ +* + +
Upper HB2 LEU 37 - HN VAL 38 3.64 20 0.44 0.45 ++++++++++*+++++++++
Upper HN GLN 56 - HB3 GLN 56 3.33 15 0.37 0.56 +*++++ + +++ ++++ +
Upper HA PHE 51 - HN GLN 56 4.20 1 0.12 0.34 *
Upper HA THR 42 - HN ASP- 44 4.01 2 0.15 0.20 + *
Upper HB3 GLU- 36 - HN LEU 37 3.49 12 0.21 0.33 + *++++ ++ ++ ++
Upper HN LYS+ 66 - HN SER 67 3.95 20 0.34 0.40 ++++++++++*+++++++++
Upper HN SER 67 - HN LYS+ 69 4.38 11 0.21 0.29 +++ + ++++ ++*
Upper HN ASP- 105 - HN THR 106 3.58 6 0.09 0.38 + +* ++ +
Upper HA LEU 61 - HN THR 62 2.87 11 0.17 0.32 + + *+ ++ ++++ +
Upper HB2 ASP- 63 - HN GLY 64 3.95 2 0.02 0.21 * +
Upper HN THR 42 - HN VAL 43 4.07 20 0.35 0.40 ++++++++++*+++++++++
Upper HN GLY 53 - HN ASP- 55 3.95 10 0.21 0.41 + + + *+ ++++ +
Upper HN GLY 53 - HA TYR 77 4.35 2 0.11 0.26 + *
Upper HN SER 27 - HN LEU 28 4.14 9 0.20 0.30 + +++++ +* +
Upper HA TYR 100 - HN GLU- 101 2.68 1 0.02 0.48 *
Upper HN MET 18 - HN GLU- 19 4.07 3 0.16 0.23 +* +
Upper HN VAL 4 - HN ALA 24 3.95 3 0.15 0.37 + + *
Upper HN ASP- 54 - HN GLN 56 3.30 10 0.16 0.36 + + + ++ +*++ +
Upper HN LEU 50 - HN LEU 61 3.89 1 0.05 0.31 *
Upper HN VAL 82 - HN ASP- 83 4.07 1 0.16 0.21 *
Upper HN ALA 13 - HA ALA 13 2.74 1 0.16 0.20 *
Upper HN GLU- 19 - HB3 GLU- 19 3.08 10 0.20 0.40 + +++ *+ +++ +
Upper HA2 GLY 64 - HN LYS+ 66 4.32 16 0.24 0.34 ++++++++ *++ +++++
Upper HA THR 85 - HN GLY 86 3.05 20 0.22 0.26 ++++++++++*+++++++++
Upper HN PHE 51 - HA LEU 57 4.85 3 0.15 0.23 + + *
Upper HA ASN 29 - HN ASP- 30 3.27 20 0.33 0.37 ++++++++++++++*+++++
Upper HA LYS+ 34 - HN LEU 37 3.08 17 0.28 0.35 ++ ++++ ++++*++++++
Upper HN THR 11 - HB THR 11 3.21 17 0.25 0.35 + ++++++++*+++++ ++
Upper HB THR 11 - HN ALA 81 4.82 1 0.07 0.23 *
Upper HG2 GLU- 19 - HN LYS+ 20 4.97 10 0.21 0.30 * ++ + +++ +++
Upper HB3 PHE 51 - HN ARG+ 78 5.50 1 0.01 0.28 *
Upper HN LEU 68 - HG LEU 68 2.99 5 0.09 0.30 + + + * +
Upper HN LEU 31 - HG2 LYS+ 32 5.50 1 0.01 0.23 *
Upper HN ASN 12 - HD22 ASN 12 5.50 2 0.03 0.29 * +
Upper HN ALA 65 - HG LEU 71 5.50 1 0.13 0.22 *
Upper HG3 GLU- 19 - HN LYS+ 20 4.97 1 0.05 0.28 *
Upper HN GLY 53 - QB GLN 56 4.02 2 0.09 0.24 * +
Upper HN LYS+ 66 - QB LYS+ 66 2.89 2 0.07 0.23 * +
Upper QG LYS+ 66 - HN ASP- 70 5.61 1 0.02 0.21 *
Angle PSI ASP- 6 116.00 142.00 1 1.81 5.12 *
Angle PHI LEU 7 235.00 273.00 7 2.96 6.64 + +++ *++
Angle PSI LEU 7 129.00 155.00 3 2.69 6.83 + + *
Angle PSI ILE 79 115.00 135.00 1 2.69 6.30 *
106 violated distance constraints.
4 violated angle constraints.
RMSDs for residues 1..85:
Average backbone RMSD to mean : 0.52 +/- 0.13 A (0.38..0.86 A)
Average heavy atom RMSD to mean : 1.08 +/- 0.11 A (0.91..1.38 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 0.65 0.60 0.51 0.49 0.59 0.57 0.62 1.02 0.54 0.60 0.78 0.66 0.64 0.58 1.07 0.57 0.68 0.78 0.62 0.39
2 1.37 0.82 0.53 0.59 0.65 0.67 0.57 1.20 0.80 0.60 0.81 0.92 0.71 0.69 1.08 0.78 0.77 0.56 0.84 0.53
3 1.61 1.48 0.72 0.81 0.91 0.69 0.91 0.93 0.83 0.79 0.69 0.57 0.88 0.56 0.99 0.58 0.53 0.85 0.73 0.53
4 1.10 1.16 1.56 0.42 0.53 0.63 0.58 0.97 0.53 0.53 0.71 0.74 0.65 0.63 0.95 0.70 0.68 0.76 0.68 0.38
5 1.38 1.55 1.79 1.30 0.51 0.57 0.58 1.05 0.49 0.52 0.75 0.78 0.60 0.70 0.99 0.68 0.77 0.78 0.73 0.42
6 1.48 1.32 1.62 1.36 1.50 0.59 0.55 1.15 0.59 0.60 0.81 0.87 0.75 0.71 1.04 0.74 0.81 0.83 0.67 0.50
7 1.51 1.41 1.28 1.52 1.57 1.33 0.60 1.08 0.66 0.63 0.74 0.75 0.66 0.42 0.99 0.49 0.68 0.68 0.52 0.40
8 1.51 1.63 1.87 1.37 1.21 1.51 1.67 1.29 0.73 0.51 0.87 0.93 0.56 0.66 1.16 0.75 0.81 0.75 0.77 0.54
9 1.66 1.94 1.71 1.65 1.84 2.02 1.73 1.96 0.91 1.25 0.75 0.78 1.20 1.05 0.63 0.93 0.99 1.25 1.03 0.86
10 1.35 1.64 1.92 1.39 1.25 1.57 1.70 1.29 1.87 0.75 0.75 0.69 0.69 0.76 0.90 0.68 0.84 0.88 0.74 0.48
11 1.52 1.31 1.71 1.40 1.40 1.41 1.62 1.48 2.17 1.49 0.84 0.90 0.62 0.64 1.11 0.74 0.78 0.78 0.77 0.52
12 1.58 1.69 1.83 1.53 1.50 1.82 1.72 1.54 1.69 1.38 1.57 0.55 0.87 0.68 0.69 0.57 0.61 0.85 0.71 0.49
13 1.53 1.79 1.68 1.56 1.58 1.83 1.74 1.53 1.67 1.42 1.73 1.28 0.89 0.68 0.84 0.56 0.59 0.87 0.67 0.52
14 1.51 1.64 1.83 1.42 1.35 1.69 1.76 1.19 1.95 1.54 1.52 1.67 1.58 0.71 1.08 0.75 0.84 0.85 0.82 0.56
15 1.43 1.32 1.37 1.34 1.68 1.46 1.12 1.68 1.66 1.66 1.47 1.56 1.65 1.76 1.01 0.41 0.55 0.66 0.49 0.40
16 1.74 1.57 1.54 1.56 1.84 1.71 1.45 2.00 1.48 1.96 1.82 1.75 1.71 1.89 1.41 0.94 1.02 1.10 1.03 0.81
17 1.42 1.41 1.28 1.46 1.62 1.41 1.10 1.66 1.53 1.71 1.62 1.60 1.59 1.68 1.07 1.34 0.56 0.70 0.51 0.40
18 1.74 1.59 1.37 1.64 1.61 1.66 1.47 1.63 1.85 1.74 1.60 1.60 1.51 1.64 1.47 1.63 1.34 0.82 0.62 0.50
19 1.67 1.36 1.61 1.60 1.62 1.60 1.45 1.56 1.99 1.65 1.47 1.49 1.53 1.60 1.42 1.68 1.43 1.34 0.78 0.61
20 1.49 1.66 1.75 1.48 1.37 1.65 1.52 1.50 1.67 1.43 1.60 1.30 1.30 1.54 1.41 1.67 1.49 1.36 1.45 0.48
mean 1.00 1.02 1.16 0.91 1.03 1.10 1.01 1.10 1.38 1.11 1.10 1.11 1.12 1.16 0.96 1.23 0.94 1.09 1.07 1.00
Average pairwise RMSD of each structure to the rest of the bundle:
Structure 1 (bb ): 0.66 +/- 0.15 A (0.49..1.07 A)
(heavy): 1.51 +/- 0.15 A (1.10..1.74 A)
Structure 2 (bb ): 0.75 +/- 0.18 A (0.53..1.20 A)
(heavy): 1.52 +/- 0.19 A (1.16..1.94 A)
Structure 3 (bb ): 0.76 +/- 0.14 A (0.53..0.99 A)
(heavy): 1.62 +/- 0.20 A (1.28..1.92 A)
Structure 4 (bb ): 0.66 +/- 0.14 A (0.42..0.97 A)
(heavy): 1.44 +/- 0.15 A (1.10..1.65 A)
Structure 5 (bb ): 0.67 +/- 0.17 A (0.42..1.05 A)
(heavy): 1.52 +/- 0.19 A (1.21..1.84 A)
Structure 6 (bb ): 0.73 +/- 0.17 A (0.51..1.15 A)
(heavy): 1.58 +/- 0.19 A (1.32..2.02 A)
Structure 7 (bb ): 0.66 +/- 0.16 A (0.42..1.08 A)
(heavy): 1.51 +/- 0.20 A (1.10..1.76 A)
Structure 8 (bb ): 0.75 +/- 0.21 A (0.51..1.29 A)
(heavy): 1.57 +/- 0.22 A (1.19..2.00 A)
Structure 9 (bb ): 1.02 +/- 0.18 A (0.63..1.29 A)
(heavy): 1.79 +/- 0.18 A (1.48..2.17 A)
Structure 10 (bb ): 0.72 +/- 0.12 A (0.49..0.91 A)
(heavy): 1.58 +/- 0.21 A (1.25..1.96 A)
Structure 11 (bb ): 0.74 +/- 0.20 A (0.51..1.25 A)
(heavy): 1.57 +/- 0.19 A (1.31..2.17 A)
Structure 12 (bb ): 0.74 +/- 0.09 A (0.55..0.87 A)
(heavy): 1.58 +/- 0.15 A (1.28..1.83 A)
Structure 13 (bb ): 0.75 +/- 0.13 A (0.55..0.93 A)
(heavy): 1.59 +/- 0.15 A (1.28..1.83 A)
Structure 14 (bb ): 0.78 +/- 0.16 A (0.56..1.20 A)
(heavy): 1.62 +/- 0.18 A (1.19..1.95 A)
Structure 15 (bb ): 0.66 +/- 0.16 A (0.41..1.05 A)
(heavy): 1.47 +/- 0.19 A (1.07..1.76 A)
Structure 16 (bb ): 0.98 +/- 0.14 A (0.63..1.16 A)
(heavy): 1.67 +/- 0.18 A (1.34..2.00 A)
Structure 17 (bb ): 0.67 +/- 0.14 A (0.41..0.94 A)
(heavy): 1.46 +/- 0.18 A (1.07..1.71 A)
Structure 18 (bb ): 0.73 +/- 0.14 A (0.53..1.02 A)
(heavy): 1.57 +/- 0.14 A (1.34..1.85 A)
Structure 19 (bb ): 0.82 +/- 0.15 A (0.56..1.25 A)
(heavy): 1.55 +/- 0.15 A (1.34..1.99 A)
Structure 20 (bb ): 0.72 +/- 0.15 A (0.49..1.03 A)
(heavy): 1.51 +/- 0.13 A (1.30..1.75 A)
Mean structure (bb ): 0.52 +/- 0.13 A (0.38..0.86 A)
(heavy): 1.08 +/- 0.11 A (0.91..1.38 A)
Average global and local displacements [A]:
backbone heavy atoms backbone heavy atoms
1 MET : 1.80 2.37 0.00 0.00
2 THR : 0.79 1.19 0.19 0.80
3 GLU- : 0.30 0.97 0.16 0.69
4 VAL : 0.24 0.29 0.08 0.14
5 TYR : 0.23 2.63 0.05 2.48
6 ASP- : 0.28 1.11 0.08 1.04
7 LEU : 0.33 0.72 0.06 0.69
8 GLU- : 0.33 1.16 0.05 1.20
9 ILE : 0.30 0.56 0.05 0.32
10 THR : 0.31 0.49 0.09 0.37
11 THR : 0.38 0.41 0.06 0.11
12 ASN : 0.61 0.98 0.04 0.92
13 ALA : 0.60 0.64 0.06 0.12
14 THR : 0.47 0.53 0.07 0.21
15 ASP- : 0.52 1.28 0.06 0.92
16 PHE : 0.41 2.60 0.14 2.36
17 PRO : 0.39 0.51 0.05 0.10
18 MET : 0.29 0.96 0.04 0.86
19 GLU- : 0.24 0.96 0.05 0.94
20 LYS+ : 0.23 0.75 0.05 0.70
21 LYS+ : 0.27 0.73 0.03 0.70
22 TYR : 0.25 0.85 0.05 0.74
23 PRO : 0.23 0.26 0.02 0.03
24 ALA : 0.23 0.26 0.03 0.05
25 GLY : 0.26 0.28 0.03 0.05
26 MET : 0.30 0.55 0.05 0.38
27 SER : 0.31 0.33 0.05 0.08
28 LEU : 0.33 0.75 0.03 0.66
29 ASN : 0.36 0.85 0.03 0.74
30 ASP- : 0.38 0.73 0.03 0.56
31 LEU : 0.38 0.74 0.03 0.60
32 LYS+ : 0.35 0.83 0.03 0.77
33 LYS+ : 0.35 1.19 0.02 1.20
34 LYS+ : 0.34 0.92 0.02 0.73
35 LEU : 0.31 0.63 0.02 0.46
36 GLU- : 0.23 0.95 0.02 0.88
37 LEU : 0.30 0.37 0.01 0.04
38 VAL : 0.42 0.50 0.01 0.08
39 VAL : 0.40 0.43 0.03 0.07
40 GLY : 0.36 0.37 0.04 0.07
41 THR : 0.40 0.61 0.07 0.47
42 THR : 0.45 0.53 0.07 0.16
43 VAL : 0.42 0.50 0.03 0.10
44 ASP- : 0.39 0.75 0.02 0.55
45 SER : 0.30 0.33 0.02 0.04
46 MET : 0.29 0.68 0.04 0.56
47 ARG+ : 0.28 1.90 0.04 1.87
48 ILE : 0.26 0.52 0.04 0.41
49 GLN : 0.23 0.73 0.03 0.68
50 LEU : 0.23 0.42 0.06 0.34
51 PHE : 0.34 0.97 0.11 0.87
52 ASP- : 0.60 1.33 0.34 1.22
53 GLY : 1.09 1.17 0.61 0.91
54 ASP- : 1.44 2.65 0.72 1.39
55 ASP- : 0.74 1.31 0.28 0.73
56 GLN : 0.45 1.19 0.11 0.79
57 LEU : 0.47 0.72 0.05 0.39
58 LYS+ : 0.56 0.91 0.04 0.61
59 GLY : 0.71 0.71 0.14 0.23
60 GLU- : 0.49 1.08 0.08 0.91
61 LEU : 0.40 1.01 0.09 0.76
62 THR : 0.54 0.64 0.06 0.10
63 ASP- : 0.45 0.99 0.15 0.83
64 GLY : 0.49 0.55 0.12 0.15
65 ALA : 0.36 0.42 0.07 0.15
66 LYS+ : 0.34 0.87 0.07 0.96
67 SER : 0.32 0.34 0.04 0.08
68 LEU : 0.32 0.60 0.01 0.45
69 LYS+ : 0.32 0.56 0.01 0.45
70 ASP- : 0.32 0.68 0.01 0.56
71 LEU : 0.35 0.48 0.02 0.22
72 GLY : 0.38 0.40 0.06 0.13
73 VAL : 0.45 0.74 0.28 0.68
74 ARG+ : 0.43 1.17 0.24 1.15
75 ASP- : 0.31 1.18 0.09 1.10
76 GLY : 0.30 0.32 0.04 0.05
77 TYR : 0.26 0.78 0.03 0.74
78 ARG+ : 0.22 1.61 0.04 1.69
79 ILE : 0.19 0.45 0.02 0.41
80 HIS : 0.18 0.23 0.05 0.12
81 ALA : 0.19 0.20 0.04 0.06
82 VAL : 0.24 0.34 0.04 0.15
83 ASP- : 0.34 0.98 0.03 0.84
84 VAL : 0.40 0.71 0.04 0.55
85 THR : 0.53 0.64 0.03 0.14
86 GLY : 0.58 0.63 0.04 0.09
87 GLY : 0.63 0.69 0.10 0.29
88 ASN : 0.73 1.04 0.18 0.81
89 GLU- : 0.91 1.69 0.25 1.29
90 ASP- : 1.12 2.26 0.35 1.39
91 PHE : 1.07 2.53 0.28 1.75
92 LYS+ : 1.14 2.38 0.19 1.54
93 ASP- : 1.38 2.21 0.23 1.11
94 GLU- : 1.29 2.18 0.27 1.17
95 SER : 1.34 1.67 0.35 1.02
96 MET : 1.90 3.40 0.82 2.83
97 VAL : 2.73 3.54 0.82 1.92
98 GLU- : 3.24 4.59 0.61 2.85
99 LYS+ : 3.95 5.19 0.56 3.12
100 TYR : 4.70 5.99 0.50 3.49
101 GLU- : 5.75 6.92 0.69 2.54
102 MET : 6.81 7.38 0.71 2.31
103 SER : 8.13 8.57 0.60 1.41
104 ASP- : 9.11 9.29 0.48 2.14
105 ASP- : 10.39 11.07 0.53 2.13
106 THR : 11.41 11.48 0.64 1.92
107 TYR : 12.68 13.93 0.51 3.51
108 GLY : 13.96 14.20 0.53 0.87
109 LYS+ : 15.06 15.76 0.67 2.76
110 ARG+ : 16.33 17.05 0.61 3.57
111 THR : 17.48 17.53 0.55 1.77
112 ASP- : 19.01 19.29 0.54 2.45
113 SER : 20.50 20.60 0.49 1.51
114 VAL : 22.20 22.49 0.59 1.91
115 ARG+ : 23.67 24.42 0.53 3.58
116 ALA : 25.25 25.44 0.61 1.27
117 TRP : 26.85 27.36 0.77 4.14
118 LYS+ : 28.61 29.56 0.85 3.08
119 LYS+ : 30.04 30.58 1.04 3.43
120 LYS+ : 31.70 33.13 0.00 0.00