Complet list of 2gdx con file
Complete list of 2gdx.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 350
C A 0001 MET CA 3.775 C A 0002 GLY CA
C A 0001 MET C 2.408 C A 0002 GLY CA
C A 0001 MET C 2.934 C A 0002 GLY C
C A 0002 GLY CA 3.790 C A 0003 VAL CA
C A 0002 GLY C 2.438 C A 0003 VAL CA
C A 0002 GLY C 2.941 C A 0003 VAL C
C A 0002 GLY C 3.726 C A 0003 VAL CB
C A 0003 VAL CA 3.784 C A 0004 THR CA
C A 0003 VAL C 2.433 C A 0004 THR CA
C A 0003 VAL C 2.878 C A 0004 THR C
C A 0003 VAL C 3.698 C A 0004 THR CB
C A 0003 VAL CG1 3.676 C A 0038 PHE CD2
C A 0003 VAL CG1 3.721 C A 0038 PHE CE2
C A 0004 THR CA 3.799 C A 0005 GLU CA
C A 0004 THR C 2.436 C A 0005 GLU CA
C A 0004 THR C 2.887 C A 0005 GLU C
C A 0004 THR C 3.700 C A 0005 GLU CB
C A 0005 GLU CA 3.793 C A 0006 ALA CA
C A 0005 GLU C 2.428 C A 0006 ALA CA
C A 0005 GLU C 3.189 C A 0006 ALA C
C A 0005 GLU C 3.656 C A 0006 ALA CB
C A 0006 ALA CA 3.799 C A 0007 GLN CA
C A 0006 ALA C 2.434 C A 0007 GLN CA
C A 0006 ALA C 3.205 C A 0007 GLN C
C A 0006 ALA C 3.666 C A 0007 GLN CB
C A 0006 ALA CB 3.708 C A 0032 ILE CA
C A 0007 GLN CA 3.799 C A 0008 TYR CA
C A 0007 GLN C 2.434 C A 0008 TYR CA
C A 0007 GLN C 3.531 C A 0008 TYR C
C A 0007 GLN C 3.432 C A 0008 TYR CB
C A 0008 TYR CA 3.799 C A 0009 VAL CA
C A 0008 TYR C 2.425 C A 0009 VAL CA
C A 0008 TYR C 3.203 C A 0009 VAL C
C A 0008 TYR C 3.684 C A 0009 VAL CB
C A 0008 TYR CB 3.588 C A 0035 LEU CG
C A 0008 TYR CB 3.527 C A 0035 LEU CD1
C A 0009 VAL C 2.435 C A 0010 ALA CA
C A 0009 VAL C 3.053 C A 0010 ALA C
C A 0009 VAL C 3.702 C A 0010 ALA CB
C A 0010 ALA CA 2.945 C A 0011 PRO CD
C A 0010 ALA C 2.459 C A 0011 PRO CA
C A 0010 ALA C 3.304 C A 0011 PRO C
C A 0010 ALA C 3.567 C A 0011 PRO CB
C A 0010 ALA C 3.656 C A 0011 PRO CG
C A 0010 ALA C 2.520 C A 0011 PRO CD
C A 0011 PRO C 2.430 C A 0012 THR CA
C A 0011 PRO C 3.271 C A 0012 THR C
C A 0011 PRO C 3.657 C A 0012 THR CB
C A 0011 PRO CG 3.414 H A 0017 SER CB
C A 0012 THR CA 3.797 H A 0013 ASN CA
C A 0012 THR C 2.432 H A 0013 ASN CA
C A 0012 THR C 3.486 H A 0013 ASN C
C A 0012 THR C 3.477 H A 0013 ASN CB
H A 0013 ASN C 2.438 H A 0014 ALA CA
H A 0013 ASN C 2.988 H A 0014 ALA C
H A 0013 ASN C 3.709 H A 0014 ALA CB
H A 0014 ALA C 2.434 H A 0015 VAL CA
H A 0014 ALA C 3.044 H A 0015 VAL C
H A 0014 ALA C 3.736 H A 0015 VAL CB
H A 0015 VAL C 2.437 H A 0016 GLU CA
H A 0015 VAL C 3.079 H A 0016 GLU C
H A 0015 VAL C 3.707 H A 0016 GLU CB
H A 0016 GLU CA 3.800 H A 0017 SER CA
H A 0016 GLU C 2.434 H A 0017 SER CA
H A 0016 GLU C 3.037 H A 0017 SER C
H A 0016 GLU C 3.709 H A 0017 SER CB
H A 0016 GLU CG 3.706 H A 0075 LYS CB
H A 0016 GLU CD 3.347 H A 0075 LYS CB
H A 0016 GLU CD 3.378 H A 0075 LYS CG
H A 0017 SER C 2.435 H A 0018 LYS CA
H A 0017 SER C 3.074 H A 0018 LYS C
H A 0017 SER C 3.705 H A 0018 LYS CB
H A 0018 LYS C 2.435 H A 0019 LEU CA
H A 0018 LYS C 2.990 H A 0019 LEU C
H A 0018 LYS C 3.712 H A 0019 LEU CB
H A 0019 LEU C 2.433 H A 0020 ALA CA
H A 0019 LEU C 3.045 H A 0020 ALA C
H A 0019 LEU C 3.700 H A 0020 ALA CB
H A 0020 ALA C 2.435 H A 0021 GLU CA
H A 0020 ALA C 3.060 H A 0021 GLU C
H A 0020 ALA C 3.710 H A 0021 GLU CB
H A 0021 GLU C 2.436 H A 0022 ILE CA
H A 0021 GLU C 3.081 H A 0022 ILE C
H A 0021 GLU C 3.732 H A 0022 ILE CB
H A 0022 ILE C 2.430 H A 0023 TRP CA
H A 0022 ILE C 3.165 H A 0023 TRP C
H A 0022 ILE C 3.681 H A 0023 TRP CB
H A 0023 TRP C 2.431 H A 0024 GLU CA
H A 0023 TRP C 3.222 H A 0024 GLU C
H A 0023 TRP C 3.666 H A 0024 GLU CB
H A 0023 TRP CZ3 3.593 H A 0027 LEU CD1
H A 0023 TRP CZ3 3.763 H A 0027 LEU CD2
H A 0023 TRP CD2 3.459 C A 0039 PHE CZ
H A 0023 TRP CE2 3.321 C A 0039 PHE CZ
H A 0023 TRP CE3 3.754 C A 0039 PHE CE1
H A 0023 TRP CZ2 3.658 C A 0039 PHE CZ
H A 0023 TRP CZ3 3.729 C A 0039 PHE CE1
H A 0023 TRP CH2 3.791 C A 0039 PHE CE1
H A 0023 TRP CZ2 3.703 H A 0049 MET CB
H A 0024 GLU C 2.432 H A 0025 ARG CA
H A 0024 GLU C 3.479 H A 0025 ARG C
H A 0024 GLU C 3.483 H A 0025 ARG CB
H A 0024 GLU CD 3.573 C A 0031 GLY CA
H A 0025 ARG CA 3.798 H A 0026 VAL CA
H A 0025 ARG C 2.431 H A 0026 VAL CA
H A 0025 ARG C 3.417 H A 0026 VAL C
H A 0025 ARG C 3.567 H A 0026 VAL CB
H A 0025 ARG C 3.646 H A 0026 VAL CG2
H A 0026 VAL C 2.433 H A 0027 LEU CA
H A 0026 VAL C 3.500 H A 0027 LEU C
H A 0026 VAL C 3.473 H A 0027 LEU CB
H A 0027 LEU CA 3.792 C A 0028 GLY CA
H A 0027 LEU C 2.420 C A 0028 GLY CA
H A 0027 LEU C 3.036 C A 0028 GLY C
C A 0028 GLY C 2.445 C A 0029 VAL CA
C A 0028 GLY C 3.003 C A 0029 VAL C
C A 0028 GLY C 3.067 C A 0029 VAL CB
C A 0028 GLY C 3.262 C A 0029 VAL CG2
C A 0029 VAL C 2.434 C A 0030 SER CA
C A 0029 VAL C 3.328 C A 0030 SER C
C A 0029 VAL C 3.608 C A 0030 SER CB
C A 0030 SER CA 3.787 C A 0031 GLY CA
C A 0030 SER C 2.415 C A 0031 GLY CA
C A 0030 SER C 3.619 C A 0031 GLY C
C A 0031 GLY CA 3.787 C A 0032 ILE CA
C A 0031 GLY C 2.432 C A 0032 ILE CA
C A 0031 GLY C 3.245 C A 0032 ILE C
C A 0031 GLY C 3.674 C A 0032 ILE CB
C A 0032 ILE CA 3.786 C A 0033 GLY CA
C A 0032 ILE C 2.417 C A 0033 GLY CA
C A 0032 ILE C 3.711 C A 0033 GLY C
C A 0032 ILE CG2 3.791 C A 0037 ASN CG
C A 0032 ILE CD1 3.522 C A 0037 ASN CG
C A 0032 ILE CD1 3.780 C A 0038 PHE CZ
C A 0033 GLY CA 3.793 C A 0034 ILE CA
C A 0033 GLY C 2.434 C A 0034 ILE CA
C A 0033 GLY C 3.372 C A 0034 ILE C
C A 0033 GLY C 3.609 C A 0034 ILE CB
C A 0033 GLY C 3.648 C A 0034 ILE CG1
C A 0033 GLY C 3.632 C A 0034 ILE CD1
C A 0034 ILE C 2.430 C A 0035 LEU CA
C A 0034 ILE C 3.549 C A 0035 LEU C
C A 0034 ILE C 3.414 C A 0035 LEU CB
C A 0034 ILE CG2 3.799 C A 0072 PRO C
C A 0035 LEU C 2.440 C A 0036 ASP CA
C A 0035 LEU C 3.044 C A 0036 ASP C
C A 0035 LEU C 2.984 C A 0036 ASP CB
C A 0035 LEU C 3.768 C A 0036 ASP CG
C A 0036 ASP CA 3.795 C A 0037 ASN CA
C A 0036 ASP C 2.430 C A 0037 ASN CA
C A 0036 ASP C 3.717 C A 0037 ASN C
C A 0036 ASP C 2.981 C A 0037 ASN CB
C A 0036 ASP C 2.887 C A 0037 ASN CG
C A 0037 ASN C 2.434 C A 0038 PHE CA
C A 0037 ASN C 3.497 C A 0038 PHE C
C A 0037 ASN C 3.475 C A 0038 PHE CB
C A 0038 PHE CA 3.799 C A 0039 PHE CA
C A 0038 PHE C 2.430 C A 0039 PHE CA
C A 0038 PHE C 3.167 C A 0039 PHE C
C A 0038 PHE C 3.677 C A 0039 PHE CB
C A 0038 PHE C 3.734 C A 0041 ILE CG2
C A 0039 PHE C 2.434 C A 0040 GLN CA
C A 0039 PHE C 3.119 C A 0040 GLN C
C A 0039 PHE C 3.704 C A 0040 GLN CB
C A 0039 PHE CD2 3.540 C A 0040 GLN CG
C A 0039 PHE CE1 3.490 C A 0069 PHE CE1
C A 0039 PHE CZ 3.734 C A 0069 PHE CD1
C A 0039 PHE CZ 3.369 C A 0069 PHE CE1
C A 0040 GLN CA 3.800 C A 0041 ILE CA
C A 0040 GLN C 2.426 C A 0041 ILE CA
C A 0040 GLN C 3.720 C A 0041 ILE C
C A 0040 GLN C 3.047 C A 0041 ILE CB
C A 0040 GLN C 3.712 C A 0041 ILE CG2
C A 0041 ILE CA 3.794 C A 0042 GLY CA
C A 0041 ILE C 2.411 C A 0042 GLY CA
C A 0041 ILE C 3.718 C A 0042 GLY C
C A 0042 GLY CA 3.786 C A 0043 GLY CA
C A 0042 GLY C 2.416 C A 0043 GLY CA
C A 0042 GLY C 3.038 C A 0043 GLY C
C A 0043 GLY CA 3.796 C A 0044 HIS CA
C A 0043 GLY C 2.428 C A 0044 HIS CA
C A 0043 GLY C 3.333 C A 0044 HIS C
C A 0043 GLY C 3.605 C A 0044 HIS CB
C A 0044 HIS C 2.467 C A 0045 SER CA
C A 0044 HIS C 2.894 C A 0045 SER C
C A 0044 HIS C 3.286 C A 0045 SER CB
C A 0044 HIS C 3.757 H A 0050 ALA CB
C A 0045 SER C 2.444 C A 0046 LEU CA
C A 0045 SER C 3.654 C A 0046 LEU C
C A 0045 SER C 3.266 C A 0046 LEU CB
C A 0046 LEU C 2.438 H A 0047 LYS CA
C A 0046 LEU C 3.392 H A 0047 LYS C
C A 0046 LEU C 3.573 H A 0047 LYS CB
H A 0047 LYS C 2.439 H A 0048 ALA CA
H A 0047 LYS C 3.038 H A 0048 ALA C
H A 0047 LYS C 3.707 H A 0048 ALA CB
H A 0048 ALA C 2.435 H A 0049 MET CA
H A 0048 ALA C 2.983 H A 0049 MET C
H A 0048 ALA C 3.716 H A 0049 MET CB
H A 0049 MET CA 3.797 H A 0050 ALA CA
H A 0049 MET C 2.431 H A 0050 ALA CA
H A 0049 MET C 3.110 H A 0050 ALA C
H A 0049 MET C 3.681 H A 0050 ALA CB
H A 0050 ALA CA 3.797 H A 0051 VAL CA
H A 0050 ALA C 2.432 H A 0051 VAL CA
H A 0050 ALA C 2.956 H A 0051 VAL C
H A 0050 ALA C 3.741 H A 0051 VAL CB
H A 0050 ALA CA 3.574 C A 0069 PHE CE2
H A 0050 ALA CA 3.579 C A 0069 PHE CZ
H A 0050 ALA CB 3.730 C A 0069 PHE CE2
H A 0051 VAL CA 3.795 H A 0052 ALA CA
H A 0051 VAL C 2.433 H A 0052 ALA CA
H A 0051 VAL C 3.027 H A 0052 ALA C
H A 0051 VAL C 3.703 H A 0052 ALA CB
H A 0052 ALA CA 3.797 H A 0053 ALA CA
H A 0052 ALA C 2.434 H A 0053 ALA CA
H A 0052 ALA C 3.044 H A 0053 ALA C
H A 0052 ALA C 3.703 H A 0053 ALA CB
H A 0053 ALA CA 3.800 H A 0054 GLN CA
H A 0053 ALA C 2.436 H A 0054 GLN CA
H A 0053 ALA C 3.104 H A 0054 GLN C
H A 0053 ALA C 3.700 H A 0054 GLN CB
H A 0054 GLN C 2.437 H A 0055 VAL CA
H A 0054 GLN C 3.148 H A 0055 VAL C
H A 0054 GLN C 3.716 H A 0055 VAL CB
H A 0054 GLN CA 3.694 C A 0060 GLN CD
H A 0055 VAL C 2.438 H A 0056 HIS CA
H A 0055 VAL C 3.156 H A 0056 HIS C
H A 0055 VAL C 3.689 H A 0056 HIS CB
H A 0056 HIS C 2.434 C A 0057 ARG CA
H A 0056 HIS C 3.590 C A 0057 ARG C
H A 0056 HIS C 3.359 C A 0057 ARG CB
C A 0057 ARG C 2.440 C A 0058 GLU CA
C A 0057 ARG C 3.083 C A 0058 GLU C
C A 0057 ARG C 2.951 C A 0058 GLU CB
C A 0057 ARG CB 3.427 C A 0060 GLN CG
C A 0057 ARG CG 3.629 C A 0060 GLN CG
C A 0057 ARG CB 3.792 C A 0067 VAL CG2
C A 0058 GLU C 2.440 C A 0059 TYR CA
C A 0058 GLU C 3.003 C A 0059 TYR C
C A 0058 GLU C 3.033 C A 0059 TYR CB
C A 0058 GLU C 3.443 C A 0059 TYR CG
C A 0058 GLU C 3.454 C A 0059 TYR CD2
C A 0059 TYR CA 3.798 C A 0060 GLN CA
C A 0059 TYR C 2.426 C A 0060 GLN CA
C A 0059 TYR C 3.024 C A 0060 GLN C
C A 0059 TYR C 3.707 C A 0060 GLN CB
C A 0060 GLN CA 3.800 C A 0061 VAL CA
C A 0060 GLN C 2.450 C A 0061 VAL CA
C A 0060 GLN C 3.084 C A 0061 VAL C
C A 0060 GLN C 3.022 C A 0061 VAL CB
C A 0060 GLN C 3.360 C A 0061 VAL CG2
C A 0060 GLN CD 3.580 C A 0064 PRO CA
C A 0060 GLN CD 3.389 C A 0064 PRO CB
C A 0061 VAL C 2.429 C A 0062 GLU CA
C A 0061 VAL C 3.300 C A 0062 GLU C
C A 0061 VAL C 3.625 C A 0062 GLU CB
C A 0062 GLU C 2.430 C A 0063 LEU CA
C A 0062 GLU C 3.367 C A 0063 LEU C
C A 0062 GLU C 3.593 C A 0063 LEU CB
C A 0062 GLU C 3.758 C A 0063 LEU CG
C A 0063 LEU CA 2.924 C A 0064 PRO CD
C A 0063 LEU C 2.463 C A 0064 PRO CA
C A 0063 LEU C 3.272 C A 0064 PRO C
C A 0063 LEU C 3.584 C A 0064 PRO CB
C A 0063 LEU C 3.666 C A 0064 PRO CG
C A 0063 LEU C 2.517 C A 0064 PRO CD
C A 0063 LEU CB 3.748 C A 0064 PRO CD
C A 0064 PRO C 2.445 C A 0065 LEU CA
C A 0064 PRO C 3.006 C A 0065 LEU C
C A 0064 PRO C 3.715 C A 0065 LEU CB
C A 0064 PRO C 3.702 C A 0067 VAL CG1
C A 0064 PRO CB 3.491 C A 0067 VAL CG1
C A 0064 PRO C 3.748 C A 0070 ALA CB
C A 0065 LEU C 2.447 C A 0066 LYS CA
C A 0065 LEU C 2.940 C A 0066 LYS C
C A 0065 LEU C 3.126 C A 0066 LYS CB
C A 0066 LYS CA 3.795 C A 0067 VAL CA
C A 0066 LYS C 2.425 C A 0067 VAL CA
C A 0066 LYS C 3.674 C A 0067 VAL C
C A 0066 LYS C 3.197 C A 0067 VAL CB
C A 0067 VAL C 2.440 C A 0068 LEU CA
C A 0067 VAL C 3.730 C A 0068 LEU C
C A 0067 VAL C 2.996 C A 0068 LEU CB
C A 0068 LEU C 2.431 C A 0069 PHE CA
C A 0068 LEU C 3.288 C A 0069 PHE C
C A 0068 LEU C 3.637 C A 0069 PHE CB
C A 0068 LEU CA 3.548 H A 0077 LEU CD1
C A 0069 PHE C 2.434 C A 0070 ALA CA
C A 0069 PHE C 3.135 C A 0070 ALA C
C A 0069 PHE C 3.686 C A 0070 ALA CB
C A 0070 ALA C 2.454 C A 0071 GLN CA
C A 0070 ALA C 3.735 C A 0071 GLN C
C A 0070 ALA C 2.981 C A 0071 GLN CB
C A 0070 ALA C 3.587 C A 0071 GLN CG
C A 0071 GLN CA 2.948 C A 0072 PRO CD
C A 0071 GLN C 2.473 C A 0072 PRO CA
C A 0071 GLN C 3.207 C A 0072 PRO C
C A 0071 GLN C 3.641 C A 0072 PRO CB
C A 0071 GLN C 3.666 C A 0072 PRO CG
C A 0071 GLN C 2.521 C A 0072 PRO CD
C A 0071 GLN CB 3.346 H A 0077 LEU CD1
C A 0072 PRO C 2.437 H A 0073 THR CA
C A 0072 PRO C 3.677 H A 0073 THR C
C A 0072 PRO C 3.197 H A 0073 THR CB
H A 0073 THR C 2.441 H A 0074 ILE CA
H A 0073 THR C 2.997 H A 0074 ILE C
H A 0073 THR C 3.738 H A 0074 ILE CB
H A 0073 THR CB 3.695 H A 0076 ALA CB
H A 0074 ILE C 2.432 H A 0075 LYS CA
H A 0074 ILE C 3.018 H A 0075 LYS C
H A 0074 ILE C 3.718 H A 0075 LYS CB
H A 0075 LYS C 2.431 H A 0076 ALA CA
H A 0075 LYS C 3.040 H A 0076 ALA C
H A 0075 LYS C 3.699 H A 0076 ALA CB
H A 0076 ALA C 2.435 H A 0077 LEU CA
H A 0076 ALA C 3.099 H A 0077 LEU C
H A 0076 ALA C 3.704 H A 0077 LEU CB
H A 0077 LEU CA 3.800 H A 0078 ALA CA
H A 0077 LEU C 2.436 H A 0078 ALA CA
H A 0077 LEU C 3.007 H A 0078 ALA C
H A 0077 LEU C 3.707 H A 0078 ALA CB
H A 0078 ALA CA 3.799 H A 0079 GLN CA
H A 0078 ALA C 2.432 H A 0079 GLN CA
H A 0078 ALA C 3.367 H A 0079 GLN C
H A 0078 ALA C 3.576 H A 0079 GLN CB
H A 0078 ALA CA 3.526 C A 0082 ALA CB
H A 0079 GLN C 2.436 C A 0080 TYR CA
H A 0079 GLN C 3.564 C A 0080 TYR C
H A 0079 GLN C 3.410 C A 0080 TYR CB
H A 0079 GLN C 3.678 C A 0080 TYR CD1
C A 0080 TYR C 2.435 C A 0081 VAL CA
C A 0080 TYR C 3.298 C A 0081 VAL C
C A 0080 TYR C 3.658 C A 0081 VAL CB
C A 0080 TYR C 3.749 C A 0081 VAL CG2
C A 0081 VAL C 2.434 C A 0082 ALA CA
C A 0081 VAL C 3.110 C A 0082 ALA C
C A 0081 VAL C 3.693 C A 0082 ALA CB
C A 0082 ALA C 2.432 C A 0083 THR CA
C A 0082 ALA C 2.935 C A 0083 THR C
C A 0082 ALA C 3.742 C A 0083 THR CB
C A 0083 THR CA 3.786 C A 0084 ARG CA
C A 0083 THR C 2.438 C A 0084 ARG CA
C A 0083 THR C 2.973 C A 0084 ARG C
C A 0083 THR C 3.022 C A 0084 ARG CB
C A 0084 ARG CA 3.786 C A 0085 SER CA
C A 0084 ARG C 2.428 C A 0085 SER CA
C A 0084 ARG C 2.909 C A 0085 SER C
C A 0084 ARG C 3.692 C A 0085 SER CB
C A 0084 ARG CZ 3.704 C A 0085 SER CA
CHARGE_ATTR 2.00 12.00 24
C A 0005 GLU OE2 11.46 H A 0025 ARG NH2
H A 0016 GLU OE1 5.977 H A 0075 LYS NZ
H A 0016 GLU OE2 6.578 H A 0075 LYS NZ
H A 0021 GLU OE1 7.138 H A 0018 LYS NZ
H A 0021 GLU OE2 6.082 H A 0018 LYS NZ
H A 0021 GLU OE1 5.222 H A 0025 ARG NH1
H A 0021 GLU OE1 6.191 H A 0025 ARG NH2
H A 0021 GLU OE2 4.751 H A 0025 ARG NH1
H A 0021 GLU OE2 5.983 H A 0025 ARG NH2
H A 0024 GLU OE1 5.640 H A 0025 ARG NH1
H A 0024 GLU OE1 6.201 H A 0025 ARG NH2
H A 0024 GLU OE2 4.459 H A 0025 ARG NH1
H A 0024 GLU OE2 4.841 H A 0025 ARG NH2
C A 0058 GLU OE1 10.25 H A 0056 HIS ND1
C A 0058 GLU OE2 9.174 H A 0056 HIS ND1
C A 0058 GLU OE2 11.05 H A 0056 HIS NE2
C A 0058 GLU OE1 6.739 C A 0057 ARG NH1
C A 0058 GLU OE1 8.199 C A 0057 ARG NH2
C A 0058 GLU OE2 7.591 C A 0057 ARG NH1
C A 0058 GLU OE2 9.431 C A 0057 ARG NH2
C A 0062 GLU OE1 9.232 C A 0044 HIS ND1
C A 0062 GLU OE1 7.297 C A 0044 HIS NE2
C A 0062 GLU OE2 9.133 C A 0044 HIS ND1
C A 0062 GLU OE2 7.028 C A 0044 HIS NE2
CHARGE_REPU 2.00 12.00 20
C A 0005 GLU OE1 9.705 H A 0024 GLU OE1
C A 0005 GLU OE1 9.626 H A 0024 GLU OE2
C A 0005 GLU OE2 8.770 H A 0024 GLU OE1
C A 0005 GLU OE2 8.393 H A 0024 GLU OE2
H A 0018 LYS NZ 10.27 H A 0025 ARG NH1
H A 0018 LYS NZ 11.90 H A 0025 ARG NH2
H A 0021 GLU OE1 8.505 H A 0024 GLU OE1
H A 0021 GLU OE1 8.561 H A 0024 GLU OE2
H A 0021 GLU OE2 9.210 H A 0024 GLU OE1
H A 0021 GLU OE2 8.800 H A 0024 GLU OE2
H A 0056 HIS ND1 7.760 C A 0057 ARG NH1
H A 0056 HIS ND1 9.757 C A 0057 ARG NH2
H A 0056 HIS NE2 9.762 C A 0057 ARG NH1
H A 0056 HIS NE2 11.67 C A 0057 ARG NH2
H A 0056 HIS ND1 7.015 C A 0084 ARG NH1
H A 0056 HIS ND1 9.037 C A 0084 ARG NH2
H A 0056 HIS NE2 6.235 C A 0084 ARG NH1
H A 0056 HIS NE2 7.924 C A 0084 ARG NH2
C A 0057 ARG NH1 9.672 C A 0066 LYS NZ
C A 0057 ARG NH2 7.933 C A 0066 LYS NZ
HB_MM 2.00 3.20 132
C A 0002 GLY N 2.248 C A 0001 MET O
C A 0003 VAL N 2.846 C A 0001 MET O
C A 0003 VAL N 2.252 C A 0002 GLY O
C A 0004 THR N 2.725 C A 0002 GLY O
C A 0004 THR N 2.252 C A 0003 VAL O
C A 0005 GLU N 2.253 C A 0004 THR O
C A 0006 ALA N 2.983 C A 0004 THR O
C A 0006 ALA N 2.249 C A 0005 GLU O
C A 0006 ALA N 2.861 C A 0031 GLY O
C A 0007 GLN N 2.251 C A 0006 ALA O
C A 0008 TYR N 3.129 C A 0006 ALA O
C A 0008 TYR N 2.253 C A 0007 GLN O
C A 0009 VAL N 2.245 C A 0008 TYR O
C A 0010 ALA N 2.249 C A 0009 VAL O
C A 0011 PRO N 3.084 C A 0009 VAL O
C A 0011 PRO N 2.253 C A 0010 ALA O
C A 0012 THR N 2.248 C A 0011 PRO O
H A 0013 ASN N 2.250 C A 0012 THR O
H A 0014 ALA N 2.253 H A 0013 ASN O
H A 0015 VAL N 3.083 H A 0013 ASN O
H A 0015 VAL N 2.250 H A 0014 ALA O
H A 0016 GLU N 3.013 H A 0013 ASN O
H A 0016 GLU N 2.252 H A 0015 VAL O
H A 0017 SER N 3.189 H A 0013 ASN O
H A 0017 SER N 2.251 H A 0016 GLU O
H A 0018 LYS N 3.011 H A 0014 ALA O
H A 0018 LYS N 2.250 H A 0017 SER O
H A 0019 LEU N 3.052 H A 0015 VAL O
H A 0019 LEU N 2.250 H A 0018 LYS O
H A 0020 ALA N 2.964 H A 0016 GLU O
H A 0020 ALA N 2.250 H A 0019 LEU O
H A 0021 GLU N 2.971 H A 0017 SER O
H A 0021 GLU N 3.166 H A 0018 LYS O
H A 0021 GLU N 2.247 H A 0020 ALA O
H A 0022 ILE N 3.003 H A 0018 LYS O
H A 0022 ILE N 2.246 H A 0021 GLU O
H A 0023 TRP N 3.002 H A 0019 LEU O
H A 0023 TRP N 2.245 H A 0022 ILE O
H A 0024 GLU N 2.900 H A 0020 ALA O
H A 0024 GLU N 2.245 H A 0023 TRP O
H A 0025 ARG N 3.195 H A 0021 GLU O
H A 0025 ARG N 2.248 H A 0024 GLU O
H A 0026 VAL N 2.251 H A 0025 ARG O
H A 0027 LEU N 2.996 H A 0023 TRP O
H A 0027 LEU N 2.249 H A 0026 VAL O
C A 0028 GLY N 3.068 H A 0023 TRP O
C A 0028 GLY N 2.251 H A 0027 LEU O
C A 0029 VAL N 2.768 H A 0024 GLU O
C A 0029 VAL N 2.255 C A 0028 GLY O
C A 0030 SER N 2.847 C A 0028 GLY O
C A 0030 SER N 2.249 C A 0029 VAL O
C A 0031 GLY N 2.248 C A 0030 SER O
C A 0032 ILE N 2.250 C A 0031 GLY O
C A 0033 GLY N 2.250 C A 0032 ILE O
C A 0034 ILE N 2.249 C A 0033 GLY O
C A 0035 LEU N 2.246 C A 0034 ILE O
C A 0036 ASP N 2.253 C A 0035 LEU O
C A 0037 ASN N 2.251 C A 0036 ASP O
C A 0038 PHE N 2.249 C A 0037 ASN O
C A 0039 PHE N 2.246 C A 0038 PHE O
C A 0040 GLN N 2.250 C A 0039 PHE O
C A 0041 ILE N 2.818 C A 0039 PHE O
C A 0041 ILE N 2.249 C A 0040 GLN O
C A 0042 GLY N 2.247 C A 0041 ILE O
C A 0043 GLY N 2.249 C A 0042 GLY O
C A 0044 HIS N 2.249 C A 0043 GLY O
C A 0045 SER N 2.258 C A 0044 HIS O
C A 0046 LEU N 2.253 C A 0045 SER O
H A 0047 LYS N 2.251 C A 0046 LEU O
H A 0048 ALA N 2.253 H A 0047 LYS O
H A 0049 MET N 2.251 H A 0048 ALA O
H A 0050 ALA N 3.115 H A 0047 LYS O
H A 0050 ALA N 3.156 H A 0048 ALA O
H A 0050 ALA N 2.251 H A 0049 MET O
H A 0051 VAL N 3.157 H A 0048 ALA O
H A 0051 VAL N 2.254 H A 0050 ALA O
H A 0052 ALA N 2.941 H A 0048 ALA O
H A 0052 ALA N 3.153 H A 0050 ALA O
H A 0052 ALA N 2.254 H A 0051 VAL O
H A 0053 ALA N 2.975 H A 0050 ALA O
H A 0053 ALA N 2.251 H A 0052 ALA O
H A 0054 GLN N 2.956 H A 0050 ALA O
H A 0054 GLN N 3.173 H A 0051 VAL O
H A 0054 GLN N 2.252 H A 0053 ALA O
H A 0055 VAL N 3.045 H A 0051 VAL O
H A 0055 VAL N 2.252 H A 0054 GLN O
H A 0056 HIS N 2.849 H A 0052 ALA O
H A 0056 HIS N 2.250 H A 0055 VAL O
C A 0057 ARG N 3.147 H A 0055 VAL O
C A 0057 ARG N 2.250 H A 0056 HIS O
C A 0058 GLU N 2.248 C A 0057 ARG O
C A 0059 TYR N 2.807 H A 0054 GLN O
C A 0059 TYR N 2.252 C A 0058 GLU O
C A 0060 GLN N 2.247 C A 0059 TYR O
C A 0061 VAL N 2.261 C A 0060 GLN O
C A 0062 GLU N 2.615 C A 0060 GLN O
C A 0062 GLU N 2.247 C A 0061 VAL O
C A 0063 LEU N 2.248 C A 0062 GLU O
C A 0064 PRO N 2.258 C A 0063 LEU O
C A 0065 LEU N 3.074 C A 0063 LEU O
C A 0065 LEU N 2.253 C A 0064 PRO O
C A 0066 LYS N 3.141 C A 0064 PRO O
C A 0066 LYS N 2.256 C A 0065 LEU O
C A 0067 VAL N 2.247 C A 0066 LYS O
C A 0068 LEU N 2.254 C A 0067 VAL O
C A 0069 PHE N 2.248 C A 0068 LEU O
C A 0070 ALA N 2.243 C A 0069 PHE O
C A 0071 GLN N 2.723 C A 0069 PHE O
C A 0071 GLN N 2.259 C A 0070 ALA O
C A 0072 PRO N 2.256 C A 0071 GLN O
H A 0073 THR N 2.793 C A 0071 GLN O
H A 0073 THR N 2.248 C A 0072 PRO O
H A 0074 ILE N 2.253 H A 0073 THR O
H A 0075 LYS N 2.247 H A 0074 ILE O
H A 0076 ALA N 2.933 H A 0073 THR O
H A 0076 ALA N 2.250 H A 0075 LYS O
H A 0077 LEU N 2.253 H A 0076 ALA O
H A 0078 ALA N 2.780 H A 0074 ILE O
H A 0078 ALA N 2.251 H A 0077 LEU O
H A 0079 GLN N 2.251 H A 0078 ALA O
C A 0080 TYR N 2.998 H A 0077 LEU O
C A 0080 TYR N 2.251 H A 0079 GLN O
C A 0081 VAL N 2.882 H A 0077 LEU O
C A 0081 VAL N 2.250 C A 0080 TYR O
C A 0082 ALA N 2.932 H A 0077 LEU O
C A 0082 ALA N 2.251 C A 0081 VAL O
C A 0083 THR N 3.060 H A 0078 ALA O
C A 0083 THR N 2.253 C A 0082 ALA O
C A 0084 ARG N 2.969 C A 0082 ALA O
C A 0084 ARG N 2.261 C A 0083 THR O
C A 0085 SER N 2.526 C A 0083 THR O
C A 0085 SER N 2.251 C A 0084 ARG O
HB_MS 2.00 3.20 12
C A 0002 GLY O 3.150 C A 0004 THR OG1
H A 0013 ASN N 2.969 H A 0016 GLU OE1
H A 0013 ASN O 2.735 H A 0017 SER OG
H A 0014 ALA N 2.684 H A 0013 ASN OD1
C A 0028 GLY O 2.918 C A 0030 SER OG
C A 0033 GLY O 3.085 C A 0040 GLN NE2
C A 0037 ASN N 2.768 C A 0036 ASP OD1
C A 0045 SER O 3.075 C A 0044 HIS ND1
C A 0072 PRO O 2.898 H A 0073 THR OG1
C A 0080 TYR N 2.780 C A 0083 THR OG1
C A 0080 TYR O 3.130 C A 0083 THR OG1
C A 0083 THR O 2.846 C A 0085 SER OG
HB_SS 2.00 3.20 1
H A 0016 GLU OE1 2.703 C A 0012 THR OG1