Complet list of 1a1w con file
Complete list of 1a1w.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 343
C A 0001 MET C 2.424 C A 0002 ASP CA
C A 0001 MET C 3.698 C A 0002 ASP C
C A 0001 MET C 2.996 C A 0002 ASP CB
C A 0002 ASP CA 2.795 H A 0003 PRO CD
C A 0002 ASP C 2.440 H A 0003 PRO CA
C A 0002 ASP C 2.914 H A 0003 PRO C
C A 0002 ASP C 3.633 H A 0003 PRO CB
C A 0002 ASP C 3.633 H A 0003 PRO CG
C A 0002 ASP C 2.458 H A 0003 PRO CD
C A 0002 ASP CB 3.669 H A 0005 LEU CB
C A 0002 ASP CG 3.547 H A 0005 LEU CB
H A 0003 PRO C 2.416 H A 0004 PHE CA
H A 0003 PRO C 3.002 H A 0004 PHE C
H A 0003 PRO C 3.696 H A 0004 PHE CB
H A 0003 PRO CA 3.690 C A 0082 PHE CE2
H A 0003 PRO C 3.375 C A 0082 PHE CD2
H A 0003 PRO C 3.239 C A 0082 PHE CE2
H A 0003 PRO CB 3.737 C A 0082 PHE CD2
H A 0003 PRO CB 3.289 C A 0082 PHE CE2
H A 0004 PHE C 2.423 H A 0005 LEU CA
H A 0004 PHE C 2.912 H A 0005 LEU C
H A 0004 PHE C 3.699 H A 0005 LEU CB
H A 0004 PHE CE1 3.662 H A 0007 LEU CD2
H A 0004 PHE CE2 3.372 C A 0060 THR CG2
H A 0004 PHE CZ 3.208 C A 0060 THR CG2
H A 0004 PHE CZ 3.721 H A 0079 VAL CG1
H A 0004 PHE CA 3.632 C A 0082 PHE CD2
H A 0004 PHE CD2 3.502 C A 0082 PHE CB
H A 0004 PHE CE2 3.461 C A 0082 PHE C
H A 0004 PHE CE2 3.487 C A 0082 PHE CB
H A 0004 PHE CE2 3.566 C A 0083 GLU CA
H A 0005 LEU C 2.420 H A 0006 VAL CA
H A 0005 LEU C 2.976 H A 0006 VAL C
H A 0005 LEU C 3.694 H A 0006 VAL CB
H A 0006 VAL C 2.427 H A 0007 LEU CA
H A 0006 VAL C 3.023 H A 0007 LEU C
H A 0006 VAL C 3.691 H A 0007 LEU CB
H A 0007 LEU C 2.418 H A 0008 LEU CA
H A 0007 LEU C 3.129 H A 0008 LEU C
H A 0007 LEU C 3.661 H A 0008 LEU CB
H A 0007 LEU C 3.791 H A 0011 VAL CG2
H A 0007 LEU CD2 3.495 H A 0079 VAL CA
H A 0007 LEU CD1 3.647 C A 0082 PHE CD1
H A 0007 LEU CD2 3.587 C A 0082 PHE CB
H A 0008 LEU C 2.421 H A 0009 HIS CA
H A 0008 LEU C 3.051 H A 0009 HIS C
H A 0008 LEU C 3.687 H A 0009 HIS CB
H A 0008 LEU CA 3.404 H A 0011 VAL CG2
H A 0008 LEU C 3.646 H A 0011 VAL CG2
H A 0008 LEU C 3.404 H A 0043 LEU CD1
H A 0008 LEU CB 3.377 H A 0043 LEU CD1
H A 0008 LEU CD1 3.446 H A 0046 PHE CB
H A 0009 HIS C 2.423 H A 0010 SER CA
H A 0009 HIS C 3.137 H A 0010 SER C
H A 0009 HIS C 3.669 H A 0010 SER CB
H A 0009 HIS CA 3.617 H A 0043 LEU CD1
H A 0010 SER C 2.424 H A 0011 VAL CA
H A 0010 SER C 2.961 H A 0011 VAL C
H A 0010 SER C 3.697 H A 0011 VAL CB
H A 0011 VAL C 2.423 H A 0012 SER CA
H A 0011 VAL C 2.950 H A 0012 SER C
H A 0011 VAL C 3.696 H A 0012 SER CB
H A 0011 VAL C 3.785 C A 0015 LEU CD1
H A 0011 VAL CB 3.555 H A 0075 LEU CD1
H A 0011 VAL CG1 3.771 H A 0078 ARG CD
H A 0012 SER C 2.424 H A 0013 SER CA
H A 0012 SER C 3.048 H A 0013 SER C
H A 0012 SER C 3.689 H A 0013 SER CB
H A 0012 SER CA 3.591 C A 0015 LEU CD1
H A 0013 SER C 2.424 C A 0014 SER CA
H A 0013 SER C 3.245 C A 0014 SER C
H A 0013 SER C 3.635 C A 0014 SER CB
C A 0014 SER C 2.424 C A 0015 LEU CA
C A 0014 SER C 3.341 C A 0015 LEU C
C A 0014 SER C 3.570 C A 0015 LEU CB
C A 0015 LEU C 2.428 H A 0016 SER CA
C A 0015 LEU C 3.026 H A 0016 SER C
C A 0015 LEU C 2.915 H A 0016 SER CB
C A 0015 LEU CA 3.717 H A 0019 GLU CB
C A 0015 LEU CA 3.791 H A 0019 GLU CG
C A 0015 LEU CB 3.679 H A 0019 GLU CB
C A 0015 LEU CD2 2.998 H A 0019 GLU CB
C A 0015 LEU CD2 3.748 H A 0019 GLU CG
H A 0016 SER C 2.421 H A 0017 SER CA
H A 0016 SER C 3.012 H A 0017 SER C
H A 0016 SER C 3.689 H A 0017 SER CB
H A 0017 SER C 2.425 H A 0018 SER CA
H A 0017 SER C 3.070 H A 0018 SER C
H A 0017 SER C 3.687 H A 0018 SER CB
H A 0018 SER C 2.421 H A 0019 GLU CA
H A 0018 SER C 3.002 H A 0019 GLU C
H A 0018 SER C 3.699 H A 0019 GLU CB
H A 0019 GLU C 2.419 H A 0020 LEU CA
H A 0019 GLU C 3.008 H A 0020 LEU C
H A 0019 GLU C 3.690 H A 0020 LEU CB
H A 0020 LEU C 2.424 H A 0021 THR CA
H A 0020 LEU C 3.075 H A 0021 THR C
H A 0020 LEU C 3.685 H A 0021 THR CB
H A 0020 LEU CD2 3.524 C A 0041 SER C
H A 0020 LEU CD1 3.718 C A 0042 GLY CA
H A 0021 THR C 2.421 H A 0022 GLU CA
H A 0021 THR C 3.051 H A 0022 GLU C
H A 0021 THR C 3.688 H A 0022 GLU CB
H A 0022 GLU C 2.424 H A 0023 LEU CA
H A 0022 GLU C 2.922 H A 0023 LEU C
H A 0022 GLU C 3.695 H A 0023 LEU CB
H A 0022 GLU CB 3.481 H A 0070 LEU CG
H A 0022 GLU CB 3.232 H A 0070 LEU CD1
H A 0022 GLU CB 3.560 H A 0070 LEU CD2
H A 0022 GLU CG 3.185 H A 0070 LEU CD1
H A 0022 GLU CD 3.661 H A 0070 LEU CD1
H A 0023 LEU C 2.423 H A 0024 LYS CA
H A 0023 LEU C 3.038 H A 0024 LYS C
H A 0023 LEU C 3.693 H A 0024 LYS CB
H A 0023 LEU CG 3.628 H A 0066 LEU CB
H A 0023 LEU CD2 3.754 H A 0066 LEU CB
H A 0023 LEU CG 3.568 H A 0067 LEU CD2
H A 0023 LEU CD1 2.988 H A 0067 LEU CD2
H A 0023 LEU CD2 3.167 H A 0067 LEU CD2
H A 0024 LYS C 2.425 H A 0025 TYR CA
H A 0024 LYS C 2.957 H A 0025 TYR C
H A 0024 LYS C 3.697 H A 0025 TYR CB
H A 0024 LYS CG 3.712 H A 0036 LEU CD1
H A 0024 LYS CG 3.564 H A 0036 LEU CD2
H A 0025 TYR C 2.422 H A 0026 LEU CA
H A 0025 TYR C 2.978 H A 0026 LEU C
H A 0025 TYR C 3.694 H A 0026 LEU CB
H A 0026 LEU C 2.423 H A 0027 CYS CA
H A 0026 LEU C 3.033 H A 0027 CYS C
H A 0026 LEU C 3.691 H A 0027 CYS CB
H A 0026 LEU CB 3.726 H A 0066 LEU CD2
H A 0027 CYS C 2.422 H A 0028 LEU CA
H A 0027 CYS C 2.918 H A 0028 LEU C
H A 0027 CYS C 3.693 H A 0028 LEU CB
H A 0027 CYS CB 3.730 H A 0036 LEU CD1
H A 0027 CYS CB 3.661 H A 0036 LEU CD2
H A 0028 LEU C 2.424 H A 0029 GLY CA
H A 0028 LEU C 3.406 H A 0029 GLY C
H A 0028 LEU CD2 3.242 C A 0033 LYS CG
H A 0028 LEU CD2 3.394 C A 0033 LYS CE
H A 0028 LEU CG 3.569 H A 0036 LEU CD1
H A 0029 GLY C 2.424 H A 0030 ARG CA
H A 0029 GLY C 3.079 H A 0030 ARG C
H A 0029 GLY C 3.685 H A 0030 ARG CB
H A 0030 ARG C 2.422 C A 0031 VAL CA
H A 0030 ARG C 3.222 C A 0031 VAL C
H A 0030 ARG C 3.636 C A 0031 VAL CB
C A 0031 VAL C 2.423 C A 0032 GLY CA
C A 0031 VAL C 3.593 C A 0032 GLY C
C A 0032 GLY C 2.422 C A 0033 LYS CA
C A 0032 GLY C 3.284 C A 0033 LYS C
C A 0032 GLY C 3.606 C A 0033 LYS CB
C A 0033 LYS C 2.423 H A 0034 ARG CA
C A 0033 LYS C 3.000 H A 0034 ARG C
C A 0033 LYS C 3.694 H A 0034 ARG CB
H A 0034 ARG C 2.423 H A 0035 LYS CA
H A 0034 ARG C 2.998 H A 0035 LYS C
H A 0034 ARG C 3.694 H A 0035 LYS CB
H A 0035 LYS C 2.423 H A 0036 LEU CA
H A 0035 LYS C 3.043 H A 0036 LEU C
H A 0035 LYS C 3.688 H A 0036 LEU CB
H A 0035 LYS CA 3.556 H A 0048 MET CE
H A 0035 LYS C 3.641 H A 0048 MET CE
H A 0035 LYS CG 3.538 H A 0048 MET CE
H A 0036 LEU C 2.422 H A 0037 GLU CA
H A 0036 LEU C 2.970 H A 0037 GLU C
H A 0036 LEU C 3.695 H A 0037 GLU CB
H A 0036 LEU CD2 3.738 H A 0045 LEU CD1
H A 0037 GLU C 2.423 H A 0038 ARG CA
H A 0037 GLU C 3.188 H A 0038 ARG C
H A 0037 GLU C 3.650 H A 0038 ARG CB
H A 0038 ARG C 2.424 C A 0039 VAL CA
H A 0038 ARG C 2.941 C A 0039 VAL C
H A 0038 ARG C 3.695 C A 0039 VAL CB
C A 0039 VAL C 2.424 C A 0040 GLN CA
C A 0039 VAL C 3.657 C A 0040 GLN C
C A 0039 VAL C 3.173 C A 0040 GLN CB
C A 0039 VAL CA 3.712 H A 0044 ASP CB
C A 0039 VAL CG2 3.429 H A 0045 LEU CB
C A 0040 GLN C 2.423 C A 0041 SER CA
C A 0040 GLN C 3.440 C A 0041 SER C
C A 0040 GLN C 3.496 C A 0041 SER CB
C A 0041 SER C 2.424 C A 0042 GLY CA
C A 0041 SER C 3.693 C A 0042 GLY C
C A 0042 GLY C 2.424 H A 0043 LEU CA
C A 0042 GLY C 2.948 H A 0043 LEU C
C A 0042 GLY C 3.694 H A 0043 LEU CB
C A 0042 GLY C 3.395 H A 0046 PHE CD2
C A 0042 GLY C 3.351 H A 0046 PHE CE2
H A 0043 LEU C 2.424 H A 0044 ASP CA
H A 0043 LEU C 3.011 H A 0044 ASP C
H A 0043 LEU C 3.695 H A 0044 ASP CB
H A 0043 LEU CA 3.524 H A 0046 PHE CD2
H A 0044 ASP C 2.423 H A 0045 LEU CA
H A 0044 ASP C 2.993 H A 0045 LEU C
H A 0044 ASP C 3.696 H A 0045 LEU CB
H A 0045 LEU C 2.423 H A 0046 PHE CA
H A 0045 LEU C 3.087 H A 0046 PHE C
H A 0045 LEU C 3.681 H A 0046 PHE CB
H A 0045 LEU C 3.665 H A 0046 PHE CD1
H A 0045 LEU CD2 3.720 H A 0046 PHE CE1
H A 0045 LEU CD2 3.551 H A 0049 LEU CD1
H A 0046 PHE C 2.424 H A 0047 SER CA
H A 0046 PHE C 3.136 H A 0047 SER C
H A 0046 PHE C 3.669 H A 0047 SER CB
H A 0046 PHE CD1 3.712 H A 0063 LEU CD1
H A 0046 PHE CE1 3.515 H A 0063 LEU CD1
H A 0047 SER C 2.422 H A 0048 MET CA
H A 0047 SER C 3.053 H A 0048 MET C
H A 0047 SER C 3.687 H A 0048 MET CB
H A 0048 MET C 2.423 H A 0049 LEU CA
H A 0048 MET C 2.952 H A 0049 LEU C
H A 0048 MET C 3.695 H A 0049 LEU CB
H A 0049 LEU C 2.423 H A 0050 LEU CA
H A 0049 LEU C 3.014 H A 0050 LEU C
H A 0049 LEU C 3.692 H A 0050 LEU CB
H A 0049 LEU CA 3.695 C A 0053 ASN CB
H A 0049 LEU CD2 3.473 C A 0053 ASN CB
H A 0049 LEU CD2 3.614 C A 0053 ASN CG
H A 0049 LEU C 3.742 C A 0055 LEU CB
H A 0049 LEU CB 3.152 C A 0055 LEU CD1
H A 0050 LEU C 2.423 H A 0051 GLU CA
H A 0050 LEU C 2.992 H A 0051 GLU C
H A 0050 LEU C 3.696 H A 0051 GLU CB
H A 0050 LEU CA 3.335 C A 0055 LEU CB
H A 0050 LEU CD1 3.269 C A 0055 LEU C
H A 0050 LEU CD1 3.554 C A 0056 GLU CA
H A 0051 GLU C 2.421 C A 0052 GLN CA
H A 0051 GLU C 3.689 C A 0052 GLN C
H A 0051 GLU C 3.032 C A 0052 GLN CB
H A 0051 GLU C 3.100 C A 0052 GLN CG
C A 0052 GLN C 2.422 C A 0053 ASN CA
C A 0052 GLN C 3.696 C A 0053 ASN C
C A 0052 GLN C 2.984 C A 0053 ASN CB
C A 0052 GLN C 3.741 C A 0053 ASN CG
C A 0053 ASN C 2.422 C A 0054 ASP CA
C A 0053 ASN C 3.688 C A 0054 ASP C
C A 0053 ASN C 3.066 C A 0054 ASP CB
C A 0054 ASP C 2.422 C A 0055 LEU CA
C A 0054 ASP C 3.568 C A 0055 LEU C
C A 0054 ASP C 3.347 C A 0055 LEU CB
C A 0054 ASP CB 3.423 H A 0062 LEU CB
C A 0054 ASP CG 3.693 H A 0062 LEU CB
C A 0055 LEU C 2.423 C A 0056 GLU CA
C A 0055 LEU C 3.681 C A 0056 GLU C
C A 0055 LEU C 3.083 C A 0056 GLU CB
C A 0055 LEU C 3.618 C A 0056 GLU CG
C A 0056 GLU CA 3.800 C A 0057 PRO CA
C A 0056 GLU CA 2.777 C A 0057 PRO CD
C A 0056 GLU C 2.438 C A 0057 PRO CA
C A 0056 GLU C 2.910 C A 0057 PRO C
C A 0056 GLU C 3.633 C A 0057 PRO CB
C A 0056 GLU C 3.624 C A 0057 PRO CG
C A 0056 GLU C 2.451 C A 0057 PRO CD
C A 0056 GLU CB 3.000 C A 0057 PRO CD
C A 0056 GLU CG 3.196 C A 0057 PRO CD
C A 0057 PRO C 2.422 C A 0058 GLY CA
C A 0057 PRO C 3.611 C A 0058 GLY C
C A 0058 GLY C 2.423 C A 0059 HIS CA
C A 0058 GLY C 3.686 C A 0059 HIS C
C A 0058 GLY C 3.066 C A 0059 HIS CB
C A 0059 HIS C 2.423 C A 0060 THR CA
C A 0059 HIS C 3.588 C A 0060 THR C
C A 0059 HIS C 3.317 C A 0060 THR CB
C A 0059 HIS C 3.084 C A 0060 THR CG2
C A 0060 THR C 2.423 H A 0061 GLU CA
C A 0060 THR C 3.052 H A 0061 GLU C
C A 0060 THR C 3.689 H A 0061 GLU CB
H A 0061 GLU C 2.423 H A 0062 LEU CA
H A 0061 GLU C 3.077 H A 0062 LEU C
H A 0061 GLU C 3.684 H A 0062 LEU CB
H A 0062 LEU C 2.423 H A 0063 LEU CA
H A 0062 LEU C 2.966 H A 0063 LEU C
H A 0062 LEU C 3.694 H A 0063 LEU CB
H A 0063 LEU C 2.420 H A 0064 ARG CA
H A 0063 LEU C 2.932 H A 0064 ARG C
H A 0063 LEU C 3.696 H A 0064 ARG CB
H A 0064 ARG C 2.420 H A 0065 GLU CA
H A 0064 ARG C 2.950 H A 0065 GLU C
H A 0064 ARG C 3.699 H A 0065 GLU CB
H A 0064 ARG C 3.780 H A 0076 LEU CD2
H A 0064 ARG CB 3.735 H A 0076 LEU CD2
H A 0064 ARG CG 3.450 H A 0076 LEU CD2
H A 0065 GLU C 2.418 H A 0066 LEU CA
H A 0065 GLU C 2.943 H A 0066 LEU C
H A 0065 GLU C 3.693 H A 0066 LEU CB
H A 0066 LEU C 2.421 H A 0067 LEU CA
H A 0066 LEU C 2.965 H A 0067 LEU C
H A 0066 LEU C 3.703 H A 0067 LEU CB
H A 0067 LEU C 2.422 H A 0068 ALA CA
H A 0067 LEU C 2.988 H A 0068 ALA C
H A 0067 LEU C 3.696 H A 0068 ALA CB
H A 0067 LEU CD1 3.646 H A 0075 LEU CB
H A 0067 LEU C 3.505 H A 0076 LEU CD1
H A 0067 LEU CB 3.323 H A 0076 LEU CG
H A 0067 LEU CB 3.747 H A 0076 LEU CD1
H A 0067 LEU CB 3.539 H A 0076 LEU CD2
H A 0068 ALA C 2.419 H A 0069 SER CA
H A 0068 ALA C 3.010 H A 0069 SER C
H A 0068 ALA C 3.690 H A 0069 SER CB
H A 0068 ALA CA 3.638 H A 0076 LEU CD1
H A 0069 SER C 2.429 H A 0070 LEU CA
H A 0069 SER C 3.099 H A 0070 LEU C
H A 0069 SER C 3.683 H A 0070 LEU CB
H A 0070 LEU C 2.434 C A 0071 ARG CA
H A 0070 LEU C 3.046 C A 0071 ARG C
H A 0070 LEU C 2.914 C A 0071 ARG CB
C A 0071 ARG C 2.422 C A 0072 ARG CA
C A 0071 ARG C 3.185 C A 0072 ARG C
C A 0071 ARG C 3.650 C A 0072 ARG CB
C A 0072 ARG C 2.420 C A 0073 HIS CA
C A 0072 ARG C 3.657 C A 0073 HIS C
C A 0072 ARG C 3.165 C A 0073 HIS CB
C A 0073 HIS C 2.421 H A 0074 ASP CA
C A 0073 HIS C 3.068 H A 0074 ASP C
C A 0073 HIS C 3.685 H A 0074 ASP CB
H A 0074 ASP C 2.424 H A 0075 LEU CA
H A 0074 ASP C 3.081 H A 0075 LEU C
H A 0074 ASP C 3.684 H A 0075 LEU CB
H A 0075 LEU C 2.424 H A 0076 LEU CA
H A 0075 LEU C 3.105 H A 0076 LEU C
H A 0075 LEU C 3.679 H A 0076 LEU CB
H A 0076 LEU C 2.422 H A 0077 ARG CA
H A 0076 LEU C 3.114 H A 0077 ARG C
H A 0076 LEU C 3.676 H A 0077 ARG CB
H A 0077 ARG C 2.423 H A 0078 ARG CA
H A 0077 ARG C 3.034 H A 0078 ARG C
H A 0077 ARG C 3.691 H A 0078 ARG CB
H A 0078 ARG C 2.425 H A 0079 VAL CA
H A 0078 ARG C 2.932 H A 0079 VAL C
H A 0078 ARG C 3.693 H A 0079 VAL CB
H A 0079 VAL C 2.425 H A 0080 ASP CA
H A 0079 VAL C 2.963 H A 0080 ASP C
H A 0079 VAL C 3.695 H A 0080 ASP CB
H A 0080 ASP C 2.423 H A 0081 ASP CA
H A 0080 ASP C 2.996 H A 0081 ASP C
H A 0080 ASP C 3.695 H A 0081 ASP CB
H A 0081 ASP C 2.423 C A 0082 PHE CA
H A 0081 ASP C 2.985 C A 0082 PHE C
H A 0081 ASP C 3.694 C A 0082 PHE CB
C A 0082 PHE C 2.423 C A 0083 GLU CA
C A 0082 PHE C 3.048 C A 0083 GLU C
C A 0082 PHE C 3.691 C A 0083 GLU CB
CHARGE_ATTR 2.00 12.00 119
H A 0019 GLU OE1 5.100 C A 0072 ARG NH1
H A 0019 GLU OE1 4.334 C A 0072 ARG NH2
H A 0019 GLU OE2 5.280 C A 0072 ARG NH1
H A 0019 GLU OE2 3.724 C A 0072 ARG NH2
H A 0019 GLU OE1 11.70 C A 0073 HIS ND1
H A 0022 GLU OE1 11.52 H A 0024 LYS NZ
H A 0022 GLU OE2 10.20 H A 0024 LYS NZ
H A 0022 GLU OE1 11.42 C A 0072 ARG NH1
H A 0022 GLU OE1 9.653 C A 0072 ARG NH2
H A 0022 GLU OE2 11.68 C A 0072 ARG NH1
H A 0022 GLU OE2 9.827 C A 0072 ARG NH2
H A 0037 GLU OE1 11.26 H A 0024 LYS NZ
H A 0037 GLU OE2 9.886 H A 0024 LYS NZ
H A 0037 GLU OE1 9.811 C A 0033 LYS NZ
H A 0037 GLU OE2 7.878 C A 0033 LYS NZ
H A 0037 GLU OE1 8.101 H A 0034 ARG NH1
H A 0037 GLU OE1 9.051 H A 0034 ARG NH2
H A 0037 GLU OE2 8.754 H A 0034 ARG NH1
H A 0037 GLU OE2 10.06 H A 0034 ARG NH2
H A 0037 GLU OE1 11.60 H A 0035 LYS NZ
H A 0037 GLU OE1 8.853 H A 0038 ARG NH1
H A 0037 GLU OE1 9.492 H A 0038 ARG NH2
H A 0037 GLU OE2 10.70 H A 0038 ARG NH1
H A 0037 GLU OE2 11.35 H A 0038 ARG NH2
H A 0044 ASP OD1 11.23 H A 0009 HIS NE2
H A 0044 ASP OD2 11.35 H A 0009 HIS ND1
H A 0044 ASP OD2 9.966 H A 0009 HIS NE2
H A 0044 ASP OD1 11.95 H A 0035 LYS NZ
H A 0044 ASP OD1 6.758 H A 0038 ARG NH1
H A 0044 ASP OD1 7.222 H A 0038 ARG NH2
H A 0044 ASP OD2 8.234 H A 0038 ARG NH1
H A 0044 ASP OD2 9.068 H A 0038 ARG NH2
H A 0051 GLU OE1 7.684 H A 0035 LYS NZ
H A 0051 GLU OE2 9.628 H A 0035 LYS NZ
H A 0051 GLU OE1 10.41 H A 0038 ARG NH1
H A 0051 GLU OE1 8.535 H A 0038 ARG NH2
H A 0051 GLU OE2 10.96 H A 0038 ARG NH1
H A 0051 GLU OE2 9.087 H A 0038 ARG NH2
C A 0054 ASP OD1 10.46 H A 0030 ARG NH1
C A 0054 ASP OD2 9.529 H A 0030 ARG NH1
C A 0054 ASP OD2 11.05 H A 0030 ARG NH2
C A 0054 ASP OD1 4.392 C A 0059 HIS ND1
C A 0054 ASP OD1 6.412 C A 0059 HIS NE2
C A 0054 ASP OD2 5.843 C A 0059 HIS ND1
C A 0054 ASP OD2 7.513 C A 0059 HIS NE2
C A 0054 ASP OD1 9.569 H A 0064 ARG NH1
C A 0054 ASP OD1 11.67 H A 0064 ARG NH2
C A 0054 ASP OD2 10.98 H A 0064 ARG NH1
C A 0056 GLU OE1 7.137 C A 0059 HIS ND1
C A 0056 GLU OE1 7.263 C A 0059 HIS NE2
C A 0056 GLU OE2 7.005 C A 0059 HIS ND1
C A 0056 GLU OE2 7.388 C A 0059 HIS NE2
H A 0061 GLU OE1 10.80 H A 0030 ARG NH1
H A 0061 GLU OE2 11.34 H A 0030 ARG NH1
H A 0061 GLU OE1 5.414 C A 0059 HIS ND1
H A 0061 GLU OE1 6.197 C A 0059 HIS NE2
H A 0061 GLU OE2 7.097 C A 0059 HIS ND1
H A 0061 GLU OE2 7.670 C A 0059 HIS NE2
H A 0061 GLU OE1 5.885 H A 0064 ARG NH1
H A 0061 GLU OE1 8.034 H A 0064 ARG NH2
H A 0061 GLU OE2 4.438 H A 0064 ARG NH1
H A 0061 GLU OE2 6.426 H A 0064 ARG NH2
H A 0065 GLU OE1 4.752 H A 0030 ARG NH1
H A 0065 GLU OE1 6.862 H A 0030 ARG NH2
H A 0065 GLU OE2 5.164 H A 0030 ARG NH1
H A 0065 GLU OE2 7.023 H A 0030 ARG NH2
H A 0065 GLU OE1 10.59 C A 0059 HIS ND1
H A 0065 GLU OE1 7.992 H A 0064 ARG NH1
H A 0065 GLU OE1 9.899 H A 0064 ARG NH2
H A 0065 GLU OE2 8.193 H A 0064 ARG NH1
H A 0065 GLU OE2 9.797 H A 0064 ARG NH2
H A 0074 ASP OD1 6.010 C A 0072 ARG NH1
H A 0074 ASP OD1 7.811 C A 0072 ARG NH2
H A 0074 ASP OD2 5.745 C A 0072 ARG NH1
H A 0074 ASP OD2 7.779 C A 0072 ARG NH2
H A 0074 ASP OD1 5.683 C A 0073 HIS ND1
H A 0074 ASP OD1 7.548 C A 0073 HIS NE2
H A 0074 ASP OD2 7.823 C A 0073 HIS ND1
H A 0074 ASP OD2 9.697 C A 0073 HIS NE2
H A 0074 ASP OD1 7.338 H A 0077 ARG NH1
H A 0074 ASP OD1 8.153 H A 0077 ARG NH2
H A 0074 ASP OD2 8.869 H A 0077 ARG NH1
H A 0074 ASP OD2 9.255 H A 0077 ARG NH2
H A 0074 ASP OD1 8.205 H A 0078 ARG NH1
H A 0074 ASP OD1 8.568 H A 0078 ARG NH2
H A 0074 ASP OD2 6.682 H A 0078 ARG NH1
H A 0074 ASP OD2 7.290 H A 0078 ARG NH2
H A 0080 ASP OD1 10.54 C A 0059 HIS ND1
H A 0080 ASP OD1 11.28 C A 0059 HIS NE2
H A 0080 ASP OD2 11.97 C A 0059 HIS ND1
H A 0080 ASP OD1 5.365 H A 0064 ARG NH1
H A 0080 ASP OD1 4.372 H A 0064 ARG NH2
H A 0080 ASP OD2 4.957 H A 0064 ARG NH1
H A 0080 ASP OD2 3.220 H A 0064 ARG NH2
H A 0080 ASP OD1 11.91 C A 0073 HIS NE2
H A 0080 ASP OD2 10.97 C A 0073 HIS ND1
H A 0080 ASP OD2 9.908 C A 0073 HIS NE2
H A 0080 ASP OD1 11.10 H A 0077 ARG NH1
H A 0080 ASP OD1 11.08 H A 0077 ARG NH2
H A 0080 ASP OD2 9.694 H A 0077 ARG NH1
H A 0080 ASP OD2 10.04 H A 0077 ARG NH2
H A 0081 ASP OD1 11.61 H A 0064 ARG NH1
H A 0081 ASP OD1 10.11 H A 0064 ARG NH2
H A 0081 ASP OD1 8.494 H A 0077 ARG NH1
H A 0081 ASP OD1 7.225 H A 0077 ARG NH2
H A 0081 ASP OD2 9.644 H A 0077 ARG NH1
H A 0081 ASP OD2 8.093 H A 0077 ARG NH2
H A 0081 ASP OD1 10.84 H A 0078 ARG NH1
H A 0081 ASP OD1 9.458 H A 0078 ARG NH2
H A 0081 ASP OD2 9.716 H A 0078 ARG NH1
H A 0081 ASP OD2 8.147 H A 0078 ARG NH2
C A 0083 GLU OE1 7.571 C A 0059 HIS ND1
C A 0083 GLU OE1 8.113 C A 0059 HIS NE2
C A 0083 GLU OE2 6.143 C A 0059 HIS ND1
C A 0083 GLU OE2 7.126 C A 0059 HIS NE2
C A 0083 GLU OE1 5.329 H A 0064 ARG NH1
C A 0083 GLU OE1 5.541 H A 0064 ARG NH2
C A 0083 GLU OE2 4.403 H A 0064 ARG NH1
C A 0083 GLU OE2 5.444 H A 0064 ARG NH2
CHARGE_REPU 2.00 12.00 97
C A 0002 ASP OD2 11.16 H A 0051 GLU OE1
C A 0002 ASP OD2 10.84 H A 0051 GLU OE2
C A 0002 ASP OD1 8.650 C A 0056 GLU OE1
C A 0002 ASP OD1 9.715 C A 0056 GLU OE2
C A 0002 ASP OD2 8.718 C A 0056 GLU OE1
C A 0002 ASP OD2 9.354 C A 0056 GLU OE2
H A 0019 GLU OE1 7.037 H A 0022 GLU OE1
H A 0019 GLU OE1 7.516 H A 0022 GLU OE2
H A 0019 GLU OE2 6.420 H A 0022 GLU OE1
H A 0019 GLU OE2 6.455 H A 0022 GLU OE2
H A 0019 GLU OE1 10.07 H A 0074 ASP OD1
H A 0019 GLU OE1 10.31 H A 0074 ASP OD2
H A 0019 GLU OE2 10.88 H A 0074 ASP OD1
H A 0019 GLU OE2 10.96 H A 0074 ASP OD2
H A 0024 LYS NZ 10.28 C A 0033 LYS NZ
C A 0033 LYS NZ 11.30 H A 0034 ARG NH1
H A 0034 ARG NH1 8.307 H A 0035 LYS NZ
H A 0034 ARG NH2 7.174 H A 0035 LYS NZ
H A 0034 ARG NH1 11.45 H A 0038 ARG NH2
H A 0034 ARG NH2 11.55 H A 0038 ARG NH1
H A 0034 ARG NH2 10.24 H A 0038 ARG NH2
H A 0035 LYS NZ 11.42 H A 0038 ARG NH1
H A 0035 LYS NZ 9.802 H A 0038 ARG NH2
H A 0044 ASP OD1 9.417 H A 0051 GLU OE1
H A 0044 ASP OD1 10.26 H A 0051 GLU OE2
H A 0044 ASP OD2 11.40 H A 0051 GLU OE1
C A 0054 ASP OD1 9.352 C A 0056 GLU OE1
C A 0054 ASP OD1 8.411 C A 0056 GLU OE2
C A 0054 ASP OD2 10.57 C A 0056 GLU OE1
C A 0054 ASP OD2 9.289 C A 0056 GLU OE2
C A 0054 ASP OD1 5.797 H A 0061 GLU OE1
C A 0054 ASP OD1 7.716 H A 0061 GLU OE2
C A 0054 ASP OD2 6.514 H A 0061 GLU OE1
C A 0054 ASP OD2 8.534 H A 0061 GLU OE2
C A 0054 ASP OD1 7.833 H A 0065 GLU OE1
C A 0054 ASP OD1 9.900 H A 0065 GLU OE2
C A 0054 ASP OD2 7.702 H A 0065 GLU OE1
C A 0054 ASP OD2 9.819 H A 0065 GLU OE2
C A 0054 ASP OD1 9.837 C A 0083 GLU OE1
C A 0054 ASP OD1 7.828 C A 0083 GLU OE2
C A 0054 ASP OD2 11.78 C A 0083 GLU OE1
C A 0054 ASP OD2 9.748 C A 0083 GLU OE2
C A 0056 GLU OE1 11.69 C A 0083 GLU OE1
C A 0056 GLU OE1 11.10 C A 0083 GLU OE2
C A 0056 GLU OE2 11.74 C A 0083 GLU OE2
C A 0059 HIS ND1 9.116 H A 0064 ARG NH1
C A 0059 HIS ND1 10.92 H A 0064 ARG NH2
C A 0059 HIS NE2 10.07 H A 0064 ARG NH1
C A 0059 HIS NE2 11.72 H A 0064 ARG NH2
H A 0061 GLU OE1 6.609 H A 0065 GLU OE1
H A 0061 GLU OE1 7.825 H A 0065 GLU OE2
H A 0061 GLU OE2 6.819 H A 0065 GLU OE1
H A 0061 GLU OE2 7.477 H A 0065 GLU OE2
H A 0061 GLU OE1 9.887 H A 0080 ASP OD1
H A 0061 GLU OE1 10.38 H A 0080 ASP OD2
H A 0061 GLU OE2 8.952 H A 0080 ASP OD1
H A 0061 GLU OE2 9.096 H A 0080 ASP OD2
H A 0061 GLU OE1 7.801 C A 0083 GLU OE1
H A 0061 GLU OE1 6.061 C A 0083 GLU OE2
H A 0061 GLU OE2 7.339 C A 0083 GLU OE1
H A 0061 GLU OE2 5.900 C A 0083 GLU OE2
H A 0064 ARG NH2 10.46 C A 0073 HIS NE2
H A 0064 ARG NH2 11.90 H A 0077 ARG NH1
H A 0065 GLU OE1 10.10 C A 0083 GLU OE2
H A 0065 GLU OE2 11.10 C A 0083 GLU OE2
C A 0071 ARG NH1 11.57 C A 0073 HIS ND1
C A 0071 ARG NH1 10.26 C A 0073 HIS NE2
C A 0071 ARG NH2 10.91 C A 0073 HIS ND1
C A 0071 ARG NH2 9.901 C A 0073 HIS NE2
C A 0072 ARG NH1 9.408 C A 0073 HIS ND1
C A 0072 ARG NH1 10.67 C A 0073 HIS NE2
C A 0072 ARG NH2 10.24 C A 0073 HIS ND1
C A 0072 ARG NH2 11.31 C A 0073 HIS NE2
C A 0072 ARG NH1 9.683 H A 0078 ARG NH1
C A 0072 ARG NH1 11.26 H A 0078 ARG NH2
C A 0072 ARG NH2 11.89 H A 0078 ARG NH1
C A 0073 HIS ND1 6.005 H A 0077 ARG NH1
C A 0073 HIS ND1 8.068 H A 0077 ARG NH2
C A 0073 HIS NE2 6.756 H A 0077 ARG NH1
C A 0073 HIS NE2 8.895 H A 0077 ARG NH2
H A 0074 ASP OD1 11.60 H A 0081 ASP OD1
H A 0074 ASP OD1 11.92 H A 0081 ASP OD2
H A 0077 ARG NH1 11.32 H A 0078 ARG NH2
H A 0077 ARG NH2 11.57 H A 0078 ARG NH1
H A 0077 ARG NH2 10.22 H A 0078 ARG NH2
H A 0080 ASP OD1 6.398 H A 0081 ASP OD1
H A 0080 ASP OD1 8.107 H A 0081 ASP OD2
H A 0080 ASP OD2 6.911 H A 0081 ASP OD1
H A 0080 ASP OD2 8.830 H A 0081 ASP OD2
H A 0080 ASP OD1 3.234 C A 0083 GLU OE1
H A 0080 ASP OD1 4.475 C A 0083 GLU OE2
H A 0080 ASP OD2 5.019 C A 0083 GLU OE1
H A 0080 ASP OD2 5.845 C A 0083 GLU OE2
H A 0081 ASP OD1 8.730 C A 0083 GLU OE1
H A 0081 ASP OD1 10.38 C A 0083 GLU OE2
H A 0081 ASP OD2 10.13 C A 0083 GLU OE1
H A 0081 ASP OD2 11.71 C A 0083 GLU OE2
HB_MM 2.00 3.20 152
C A 0002 ASP N 2.198 C A 0001 MET O
H A 0003 PRO N 2.228 C A 0002 ASP O
H A 0004 PHE N 2.997 C A 0002 ASP O
H A 0004 PHE N 2.195 H A 0003 PRO O
H A 0005 LEU N 2.802 C A 0002 ASP O
H A 0005 LEU N 2.194 H A 0004 PHE O
H A 0006 VAL N 3.179 H A 0004 PHE O
H A 0006 VAL N 2.197 H A 0005 LEU O
H A 0007 LEU N 3.096 H A 0003 PRO O
H A 0007 LEU N 2.811 H A 0004 PHE O
H A 0007 LEU N 2.198 H A 0006 VAL O
H A 0008 LEU N 2.999 H A 0004 PHE O
H A 0008 LEU N 3.000 H A 0005 LEU O
H A 0008 LEU N 2.193 H A 0007 LEU O
H A 0009 HIS N 3.188 H A 0005 LEU O
H A 0009 HIS N 3.189 H A 0006 VAL O
H A 0009 HIS N 2.196 H A 0008 LEU O
H A 0010 SER N 3.197 H A 0006 VAL O
H A 0010 SER N 2.197 H A 0009 HIS O
H A 0011 VAL N 3.176 H A 0007 LEU O
H A 0011 VAL N 2.196 H A 0010 SER O
H A 0012 SER N 3.010 H A 0008 LEU O
H A 0012 SER N 2.947 H A 0010 SER O
H A 0012 SER N 2.195 H A 0011 VAL O
H A 0013 SER N 3.012 H A 0010 SER O
H A 0013 SER N 2.196 H A 0012 SER O
C A 0014 SER N 2.928 H A 0011 VAL O
C A 0014 SER N 2.197 H A 0013 SER O
C A 0015 LEU N 3.158 H A 0012 SER O
C A 0015 LEU N 2.195 C A 0014 SER O
H A 0016 SER N 2.199 C A 0015 LEU O
H A 0017 SER N 2.195 H A 0016 SER O
H A 0018 SER N 2.996 H A 0016 SER O
H A 0018 SER N 2.196 H A 0017 SER O
H A 0019 GLU N 3.169 C A 0015 LEU O
H A 0019 GLU N 2.195 H A 0018 SER O
H A 0020 LEU N 3.175 H A 0016 SER O
H A 0020 LEU N 2.193 H A 0019 GLU O
H A 0021 THR N 3.006 H A 0017 SER O
H A 0021 THR N 3.099 H A 0018 SER O
H A 0021 THR N 2.198 H A 0020 LEU O
H A 0022 GLU N 3.194 H A 0019 GLU O
H A 0022 GLU N 2.195 H A 0021 THR O
H A 0023 LEU N 3.153 H A 0019 GLU O
H A 0023 LEU N 2.198 H A 0022 GLU O
H A 0024 LYS N 3.070 H A 0020 LEU O
H A 0024 LYS N 2.862 H A 0022 GLU O
H A 0024 LYS N 2.196 H A 0023 LEU O
H A 0025 TYR N 3.155 H A 0021 THR O
H A 0025 TYR N 2.901 H A 0022 GLU O
H A 0025 TYR N 2.197 H A 0024 LYS O
H A 0026 LEU N 2.196 H A 0025 TYR O
H A 0027 CYS N 2.995 H A 0023 LEU O
H A 0027 CYS N 3.014 H A 0024 LYS O
H A 0027 CYS N 3.086 H A 0025 TYR O
H A 0027 CYS N 2.196 H A 0026 LEU O
H A 0028 LEU N 3.131 H A 0024 LYS O
H A 0028 LEU N 2.984 H A 0025 TYR O
H A 0028 LEU N 2.196 H A 0027 CYS O
H A 0029 GLY N 2.590 H A 0027 CYS O
H A 0029 GLY N 2.196 H A 0028 LEU O
H A 0030 ARG N 2.866 H A 0027 CYS O
H A 0030 ARG N 2.197 H A 0029 GLY O
C A 0031 VAL N 3.063 H A 0027 CYS O
C A 0031 VAL N 2.197 H A 0030 ARG O
C A 0032 GLY N 2.196 C A 0031 VAL O
C A 0033 LYS N 2.197 C A 0032 GLY O
H A 0034 ARG N 2.197 C A 0033 LYS O
H A 0035 LYS N 2.197 H A 0034 ARG O
H A 0036 LEU N 2.196 H A 0035 LYS O
H A 0037 GLU N 3.146 C A 0033 LYS O
H A 0037 GLU N 2.196 H A 0036 LEU O
H A 0038 ARG N 3.136 H A 0036 LEU O
H A 0038 ARG N 2.196 H A 0037 GLU O
C A 0039 VAL N 3.108 H A 0035 LYS O
C A 0039 VAL N 3.090 H A 0036 LEU O
C A 0039 VAL N 2.196 H A 0038 ARG O
C A 0040 GLN N 2.197 C A 0039 VAL O
C A 0041 SER N 2.197 C A 0040 GLN O
C A 0042 GLY N 2.197 C A 0041 SER O
H A 0043 LEU N 2.197 C A 0042 GLY O
H A 0044 ASP N 2.873 C A 0042 GLY O
H A 0044 ASP N 2.194 H A 0043 LEU O
H A 0045 LEU N 3.091 C A 0042 GLY O
H A 0045 LEU N 2.197 H A 0044 ASP O
H A 0046 PHE N 2.196 H A 0045 LEU O
H A 0047 SER N 2.905 H A 0043 LEU O
H A 0047 SER N 3.021 H A 0044 ASP O
H A 0047 SER N 2.197 H A 0046 PHE O
H A 0048 MET N 2.196 H A 0047 SER O
H A 0049 LEU N 2.197 H A 0048 MET O
H A 0050 LEU N 3.191 H A 0046 PHE O
H A 0050 LEU N 2.197 H A 0049 LEU O
H A 0051 GLU N 2.985 H A 0047 SER O
H A 0051 GLU N 2.957 H A 0048 MET O
H A 0051 GLU N 2.196 H A 0050 LEU O
C A 0052 GLN N 2.196 H A 0051 GLU O
C A 0053 ASN N 2.196 C A 0052 GLN O
C A 0054 ASP N 2.196 C A 0053 ASN O
C A 0055 LEU N 2.195 C A 0054 ASP O
C A 0056 GLU N 2.196 C A 0055 LEU O
C A 0056 GLU N 2.843 C A 0059 HIS O
C A 0057 PRO N 2.225 C A 0056 GLU O
C A 0058 GLY N 2.798 C A 0056 GLU O
C A 0058 GLY N 2.197 C A 0057 PRO O
C A 0059 HIS N 3.159 C A 0056 GLU O
C A 0059 HIS N 2.197 C A 0058 GLY O
C A 0060 THR N 2.197 C A 0059 HIS O
H A 0061 GLU N 2.195 C A 0060 THR O
H A 0062 LEU N 2.194 H A 0061 GLU O
H A 0063 LEU N 2.194 H A 0062 LEU O
H A 0064 ARG N 3.134 C A 0060 THR O
H A 0064 ARG N 2.196 H A 0063 LEU O
H A 0065 GLU N 2.972 H A 0061 GLU O
H A 0065 GLU N 3.123 H A 0062 LEU O
H A 0065 GLU N 3.002 H A 0063 LEU O
H A 0065 GLU N 2.193 H A 0064 ARG O
H A 0066 LEU N 2.926 H A 0063 LEU O
H A 0066 LEU N 2.199 H A 0065 GLU O
H A 0067 LEU N 3.100 H A 0064 ARG O
H A 0067 LEU N 2.198 H A 0066 LEU O
H A 0068 ALA N 3.027 H A 0064 ARG O
H A 0068 ALA N 2.907 H A 0065 GLU O
H A 0068 ALA N 3.121 H A 0066 LEU O
H A 0068 ALA N 2.198 H A 0067 LEU O
H A 0069 SER N 2.985 H A 0066 LEU O
H A 0069 SER N 2.197 H A 0068 ALA O
H A 0070 LEU N 3.179 H A 0066 LEU O
H A 0070 LEU N 3.109 H A 0067 LEU O
H A 0070 LEU N 2.199 H A 0069 SER O
C A 0071 ARG N 3.166 H A 0067 LEU O
C A 0071 ARG N 3.084 H A 0068 ALA O
C A 0071 ARG N 2.202 H A 0070 LEU O
C A 0072 ARG N 2.197 C A 0071 ARG O
C A 0073 HIS N 2.195 C A 0072 ARG O
H A 0074 ASP N 2.196 C A 0073 HIS O
H A 0075 LEU N 2.197 H A 0074 ASP O
H A 0076 LEU N 2.196 H A 0075 LEU O
H A 0077 ARG N 3.000 C A 0073 HIS O
H A 0077 ARG N 2.196 H A 0076 LEU O
H A 0078 ARG N 2.194 H A 0077 ARG O
H A 0079 VAL N 2.198 H A 0078 ARG O
H A 0080 ASP N 3.085 H A 0076 LEU O
H A 0080 ASP N 2.196 H A 0079 VAL O
H A 0081 ASP N 2.964 H A 0077 ARG O
H A 0081 ASP N 2.902 H A 0078 ARG O
H A 0081 ASP N 3.005 H A 0079 VAL O
H A 0081 ASP N 2.194 H A 0080 ASP O
C A 0082 PHE N 2.195 H A 0081 ASP O
C A 0083 GLU N 3.093 H A 0079 VAL O
C A 0083 GLU N 3.022 H A 0081 ASP O
C A 0083 GLU N 2.196 C A 0082 PHE O
HB_MS 2.00 3.20 1
H A 0017 SER O 2.652 H A 0021 THR OG1
AROMATIC 0.00 8.00 1
H A 0077 ARG 6.526 C A 0073 HIS