cleave
aa side name
R C tryptic
K C tryptic
-----------------------------------------------------------------
max_missed min_length 
0 5
-----------------------------------------------------------------
do not cleave
aa side name
P N no_tryptic
-----------------------------------------------------------------
aa name always modification H C N O P S
C C yes 3 2 1 1 0 0
-----------------------------------------------------------------
mass_measurement_error_in_ppm
10.0
-----------------------------------------------------------------
prediction_error
100.0
-----------------------------------------------------------------
protein_pI_low protein_pI_high protein_pI_measurement_error
1 13 1.5
-----------------------------------------------------------------
protein_mass_low protein_mass_high protein_mass_measurement_error
10000.0 200000.0 200.0
-----------------------------------------------------------------
aa retention_coefficient
A 7.989050
R -28.072072
N -11.977551
D 1.743717
C -18.456523
E -0.226761
Q -10.390020
G -5.356313
H -53.148527
I 88.953121
L 78.545587
K -62.086992
M 92.822924
F 98.792193
P 4.199546
S -7.193766
T -2.672440
W 111.102117
Y 42.015945
V 45.002773
O 116.910789
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