Complet list of 2d1u con file
Complete list of 2d1u.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 446
C A 0001 ALA C 2.434 E A 0002 GLN CA
C A 0001 ALA C 2.964 E A 0002 GLN C
C A 0001 ALA C 3.714 E A 0002 GLN CB
C A 0001 ALA C 3.518 E A 0043 ASP CA
E A 0002 GLN C 2.434 E A 0003 VAL CA
E A 0002 GLN C 3.588 E A 0003 VAL C
E A 0002 GLN C 3.388 E A 0003 VAL CB
E A 0002 GLN C 3.312 E A 0003 VAL CG2
E A 0002 GLN CA 3.791 E A 0042 GLY C
E A 0002 GLN CD 3.560 E A 0042 GLY CA
E A 0002 GLN CD 3.596 E A 0042 GLY C
E A 0002 GLN CA 3.686 E A 0043 ASP CA
E A 0003 VAL C 2.435 E A 0004 ASN CA
E A 0003 VAL C 3.479 E A 0004 ASN C
E A 0003 VAL C 3.491 E A 0004 ASN CB
E A 0003 VAL CG1 3.644 C A 0005 ILE CD1
E A 0003 VAL CG2 3.691 H A 0020 HIS CG
E A 0003 VAL CG2 3.767 H A 0020 HIS CD2
E A 0003 VAL CG2 3.274 H A 0020 HIS CE1
E A 0003 VAL CB 3.494 C A 0040 LEU CD2
E A 0003 VAL CG1 3.594 C A 0040 LEU CD2
E A 0004 ASN C 2.432 C A 0005 ILE CA
E A 0004 ASN C 3.524 C A 0005 ILE C
E A 0004 ASN C 3.468 C A 0005 ILE CB
E A 0004 ASN C 3.459 C A 0005 ILE CG1
E A 0004 ASN CB 3.496 E A 0041 HIS CD2
C A 0005 ILE C 2.433 C A 0006 ALA CA
C A 0005 ILE C 3.237 C A 0006 ALA C
C A 0005 ILE C 3.646 C A 0006 ALA CB
C A 0005 ILE CG1 3.609 H A 0016 GLN CB
C A 0005 ILE CG2 3.422 H A 0016 GLN CB
C A 0005 ILE CG2 3.480 H A 0016 GLN CG
C A 0005 ILE CG2 3.725 H A 0016 GLN CD
C A 0005 ILE CD1 3.568 H A 0016 GLN CB
C A 0005 ILE CD1 3.677 H A 0017 TYR CA
C A 0005 ILE CD1 3.627 H A 0017 TYR CB
C A 0006 ALA CA 2.866 C A 0007 PRO CD
C A 0006 ALA C 2.464 C A 0007 PRO CA
C A 0006 ALA C 3.136 C A 0007 PRO C
C A 0006 ALA C 3.645 C A 0007 PRO CB
C A 0006 ALA C 3.636 C A 0007 PRO CG
C A 0006 ALA C 2.498 C A 0007 PRO CD
C A 0006 ALA CB 3.743 C A 0007 PRO CD
C A 0007 PRO CA 3.791 C A 0008 GLY CA
C A 0007 PRO C 2.418 C A 0008 GLY CA
C A 0007 PRO C 3.362 C A 0008 GLY C
C A 0008 GLY CA 3.796 H A 0009 SER CA
C A 0008 GLY C 2.434 H A 0009 SER CA
C A 0008 GLY C 3.718 H A 0009 SER C
C A 0008 GLY C 2.963 H A 0009 SER CB
C A 0008 GLY C 3.594 C A 0036 GLN CG
H A 0009 SER C 2.434 H A 0010 LEU CA
H A 0009 SER C 3.044 H A 0010 LEU C
H A 0009 SER C 3.710 H A 0010 LEU CB
H A 0009 SER CB 3.613 H A 0012 LYS CB
H A 0009 SER CB 3.565 H A 0012 LYS CG
H A 0010 LEU C 2.434 H A 0011 ASP CA
H A 0010 LEU C 2.967 H A 0011 ASP C
H A 0010 LEU C 3.714 H A 0011 ASP CB
H A 0010 LEU CB 3.560 H A 0032 THR CG2
H A 0010 LEU CG 3.634 H A 0032 THR CG2
H A 0010 LEU CD1 3.681 H A 0032 THR CG2
H A 0010 LEU CD2 3.177 H A 0032 THR CG2
H A 0010 LEU CD1 3.674 C A 0035 LYS CG
H A 0010 LEU CD1 3.743 C A 0035 LYS CD
H A 0010 LEU CG 3.690 C A 0037 SER CB
H A 0011 ASP C 2.434 H A 0012 LYS CA
H A 0011 ASP C 3.050 H A 0012 LYS C
H A 0011 ASP C 3.710 H A 0012 LYS CB
H A 0012 LYS C 2.433 H A 0013 ALA CA
H A 0012 LYS C 2.931 H A 0013 ALA C
H A 0012 LYS C 3.704 H A 0013 ALA CB
H A 0012 LYS C 3.592 H A 0016 GLN CG
H A 0013 ALA C 2.434 H A 0014 LEU CA
H A 0013 ALA C 3.085 H A 0014 LEU C
H A 0013 ALA C 3.704 H A 0014 LEU CB
H A 0014 LEU C 2.434 H A 0015 ASN CA
H A 0014 LEU C 3.021 H A 0015 ASN C
H A 0014 LEU C 3.713 H A 0015 ASN CB
H A 0014 LEU CA 3.478 H A 0017 TYR CD2
H A 0014 LEU CA 3.568 H A 0017 TYR CE2
H A 0014 LEU C 3.514 H A 0017 TYR CD2
H A 0014 LEU C 3.775 H A 0017 TYR CE2
H A 0014 LEU CD1 3.344 H A 0017 TYR CE2
H A 0014 LEU CD1 3.555 E A 0025 LEU CD2
H A 0015 ASN C 2.434 H A 0016 GLN CA
H A 0015 ASN C 2.999 H A 0016 GLN C
H A 0015 ASN C 3.715 H A 0016 GLN CB
H A 0016 GLN C 2.433 H A 0017 TYR CA
H A 0016 GLN C 3.110 H A 0017 TYR C
H A 0016 GLN C 3.699 H A 0017 TYR CB
H A 0017 TYR C 2.433 H A 0018 ALA CA
H A 0017 TYR C 3.002 H A 0018 ALA C
H A 0017 TYR C 3.706 H A 0018 ALA CB
H A 0017 TYR CA 3.626 H A 0020 HIS CD2
H A 0017 TYR C 3.650 H A 0020 HIS CD2
H A 0017 TYR CE1 3.398 C A 0023 PHE CE1
H A 0017 TYR CE1 3.605 C A 0023 PHE CZ
H A 0017 TYR CE1 3.581 H A 0050 LEU CB
H A 0017 TYR CZ 3.650 H A 0050 LEU CD1
H A 0017 TYR CB 3.368 H A 0053 LEU CD2
H A 0017 TYR CG 3.435 H A 0053 LEU CD2
H A 0017 TYR CD2 3.158 H A 0053 LEU CD2
H A 0018 ALA C 2.434 H A 0019 ALA CA
H A 0018 ALA C 3.154 H A 0019 ALA C
H A 0018 ALA C 3.679 H A 0019 ALA CB
H A 0019 ALA C 2.435 H A 0020 HIS CA
H A 0019 ALA C 3.142 H A 0020 HIS C
H A 0019 ALA C 3.691 H A 0020 HIS CB
H A 0020 HIS C 2.434 H A 0021 SER CA
H A 0020 HIS C 3.198 H A 0021 SER C
H A 0020 HIS C 3.673 H A 0021 SER CB
H A 0021 SER CA 3.792 H A 0022 GLY CA
H A 0021 SER C 2.418 H A 0022 GLY CA
H A 0021 SER C 3.360 H A 0022 GLY C
H A 0021 SER CB 3.442 C A 0023 PHE CD1
H A 0021 SER CB 3.457 H A 0046 VAL CB
H A 0021 SER CB 3.222 H A 0046 VAL CG2
H A 0022 GLY CA 3.797 C A 0023 PHE CA
H A 0022 GLY C 2.435 C A 0023 PHE CA
H A 0022 GLY C 3.508 C A 0023 PHE C
H A 0022 GLY C 3.462 C A 0023 PHE CB
C A 0023 PHE C 2.434 E A 0024 THR CA
C A 0023 PHE C 3.357 E A 0024 THR C
C A 0023 PHE C 3.616 E A 0024 THR CB
C A 0023 PHE CD2 3.640 E A 0024 THR C
C A 0023 PHE CE2 3.717 E A 0025 LEU CD1
C A 0023 PHE CZ 3.781 E A 0025 LEU CD1
C A 0023 PHE CD1 3.352 H A 0046 VAL CG2
C A 0023 PHE CE1 3.353 H A 0046 VAL CG2
C A 0023 PHE CD2 3.447 E A 0069 TRP CD1
C A 0023 PHE CE2 3.746 E A 0069 TRP CD1
E A 0024 THR C 2.433 E A 0025 LEU CA
E A 0024 THR C 3.608 E A 0025 LEU C
E A 0024 THR C 3.327 E A 0025 LEU CB
E A 0025 LEU C 2.434 C A 0026 SER CA
E A 0025 LEU C 3.482 C A 0026 SER C
E A 0025 LEU C 3.487 C A 0026 SER CB
E A 0025 LEU CD2 3.664 C A 0027 VAL CG1
C A 0026 SER C 2.434 C A 0027 VAL CA
C A 0026 SER C 3.571 C A 0027 VAL C
C A 0026 SER C 3.413 C A 0027 VAL CB
C A 0027 VAL C 2.433 H A 0028 ASP CA
C A 0027 VAL C 2.984 H A 0028 ASP C
C A 0027 VAL C 3.714 H A 0028 ASP CB
H A 0028 ASP C 2.434 H A 0029 ALA CA
H A 0028 ASP C 3.115 H A 0029 ALA C
H A 0028 ASP C 3.689 H A 0029 ALA CB
H A 0028 ASP CB 3.721 H A 0031 LEU CD1
H A 0029 ALA C 2.435 H A 0030 SER CA
H A 0029 ALA C 2.925 H A 0030 SER C
H A 0029 ALA C 3.712 H A 0030 SER CB
H A 0029 ALA CA 3.716 H A 0032 THR CB
H A 0030 SER C 2.435 H A 0031 LEU CA
H A 0030 SER C 3.204 H A 0031 LEU C
H A 0030 SER C 3.670 H A 0031 LEU CB
H A 0031 LEU C 2.433 H A 0032 THR CA
H A 0031 LEU C 2.966 H A 0032 THR C
H A 0031 LEU C 3.736 H A 0032 THR CB
H A 0031 LEU C 3.795 C A 0035 LYS CE
H A 0032 THR C 2.434 H A 0033 ARG CA
H A 0032 THR C 2.968 H A 0033 ARG C
H A 0032 THR C 3.715 H A 0033 ARG CB
H A 0033 ARG CA 3.792 C A 0034 GLY CA
H A 0033 ARG C 2.418 C A 0034 GLY CA
H A 0033 ARG C 3.590 C A 0034 GLY C
C A 0034 GLY CA 3.796 C A 0035 LYS CA
C A 0034 GLY C 2.434 C A 0035 LYS CA
C A 0034 GLY C 3.515 C A 0035 LYS C
C A 0034 GLY C 3.453 C A 0035 LYS CB
C A 0035 LYS C 2.433 C A 0036 GLN CA
C A 0035 LYS C 3.523 C A 0036 GLN C
C A 0035 LYS C 3.443 C A 0036 GLN CB
C A 0035 LYS C 3.497 C A 0036 GLN CG
C A 0036 GLN C 2.435 C A 0037 SER CA
C A 0036 GLN C 3.623 C A 0037 SER C
C A 0036 GLN C 3.303 C A 0037 SER CB
C A 0037 SER C 2.434 C A 0038 ASN CA
C A 0037 SER C 3.177 C A 0038 ASN C
C A 0037 SER C 3.680 C A 0038 ASN CB
C A 0038 ASN CA 3.792 C A 0039 GLY CA
C A 0038 ASN C 2.418 C A 0039 GLY CA
C A 0038 ASN C 3.045 C A 0039 GLY C
C A 0039 GLY CA 3.797 C A 0040 LEU CA
C A 0039 GLY C 2.434 C A 0040 LEU CA
C A 0039 GLY C 3.405 C A 0040 LEU C
C A 0039 GLY C 3.556 C A 0040 LEU CB
C A 0039 GLY CA 3.772 H A 0053 LEU CD1
C A 0039 GLY C 3.361 H A 0053 LEU CD1
C A 0040 LEU C 2.434 E A 0041 HIS CA
C A 0040 LEU C 3.694 E A 0041 HIS C
C A 0040 LEU C 3.133 E A 0041 HIS CB
C A 0040 LEU CD1 3.456 C A 0044 TYR CD2
C A 0040 LEU CD2 3.452 H A 0049 GLY CA
C A 0040 LEU CD1 3.205 H A 0052 GLN CB
C A 0040 LEU CA 3.792 H A 0053 LEU CD1
C A 0040 LEU CB 3.505 H A 0053 LEU CD1
E A 0041 HIS CA 3.793 E A 0042 GLY CA
E A 0041 HIS C 2.419 E A 0042 GLY CA
E A 0041 HIS C 3.569 E A 0042 GLY C
E A 0042 GLY CA 3.796 E A 0043 ASP CA
E A 0042 GLY C 2.435 E A 0043 ASP CA
E A 0042 GLY C 3.181 E A 0043 ASP C
E A 0042 GLY C 3.678 E A 0043 ASP CB
E A 0042 GLY CA 3.727 C A 0044 TYR CE2
E A 0042 GLY C 3.571 C A 0044 TYR CD2
E A 0042 GLY C 3.789 C A 0044 TYR CE2
E A 0043 ASP C 2.433 C A 0044 TYR CA
E A 0043 ASP C 3.615 C A 0044 TYR C
E A 0043 ASP C 3.316 C A 0044 TYR CB
E A 0043 ASP C 3.285 C A 0044 TYR CG
E A 0043 ASP C 3.730 C A 0044 TYR CD1
E A 0043 ASP C 3.675 C A 0044 TYR CD2
C A 0044 TYR C 2.433 H A 0045 ASP CA
C A 0044 TYR C 3.055 H A 0045 ASP C
C A 0044 TYR C 3.709 H A 0045 ASP CB
C A 0044 TYR CB 3.437 H A 0049 GLY CA
H A 0045 ASP C 2.434 H A 0046 VAL CA
H A 0045 ASP C 2.985 H A 0046 VAL C
H A 0045 ASP C 3.736 H A 0046 VAL CB
H A 0046 VAL C 2.433 H A 0047 GLU CA
H A 0046 VAL C 3.115 H A 0047 GLU C
H A 0046 VAL C 3.698 H A 0047 GLU CB
H A 0047 GLU C 2.434 H A 0048 SER CA
H A 0047 GLU C 2.947 H A 0048 SER C
H A 0047 GLU C 3.714 H A 0048 SER CB
H A 0048 SER CA 3.792 H A 0049 GLY CA
H A 0048 SER C 2.419 H A 0049 GLY CA
H A 0048 SER C 3.045 H A 0049 GLY C
H A 0049 GLY CA 3.796 H A 0050 LEU CA
H A 0049 GLY C 2.433 H A 0050 LEU CA
H A 0049 GLY C 3.016 H A 0050 LEU C
H A 0049 GLY C 3.713 H A 0050 LEU CB
H A 0050 LEU C 2.433 H A 0051 GLN CA
H A 0050 LEU C 3.054 H A 0051 GLN C
H A 0050 LEU C 3.709 H A 0051 GLN CB
H A 0051 GLN C 2.434 H A 0052 GLN CA
H A 0051 GLN C 3.140 H A 0052 GLN C
H A 0051 GLN C 3.691 H A 0052 GLN CB
H A 0051 GLN CA 3.395 H A 0054 LEU CD1
H A 0051 GLN C 3.351 H A 0054 LEU CD1
H A 0052 GLN C 2.434 H A 0053 LEU CA
H A 0052 GLN C 3.114 H A 0053 LEU C
H A 0052 GLN C 3.698 H A 0053 LEU CB
H A 0052 GLN CA 3.795 C A 0055 ASP CB
H A 0052 GLN C 3.679 C A 0055 ASP CB
H A 0053 LEU C 2.434 H A 0054 LEU CA
H A 0053 LEU C 3.155 H A 0054 LEU C
H A 0053 LEU C 3.687 H A 0054 LEU CB
H A 0054 LEU C 2.434 C A 0055 ASP CA
H A 0054 LEU C 2.909 C A 0055 ASP C
H A 0054 LEU C 3.709 C A 0055 ASP CB
H A 0054 LEU CD1 3.696 C A 0055 ASP CA
H A 0054 LEU CD2 3.643 E A 0059 LEU CD1
C A 0055 ASP CA 3.792 C A 0056 GLY CA
C A 0055 ASP C 2.418 C A 0056 GLY CA
C A 0055 ASP C 3.667 C A 0056 GLY C
C A 0056 GLY CA 3.797 C A 0057 SER CA
C A 0056 GLY C 2.434 C A 0057 SER CA
C A 0056 GLY C 3.462 C A 0057 SER C
C A 0056 GLY C 3.506 C A 0057 SER CB
C A 0057 SER CA 3.792 C A 0058 GLY CA
C A 0057 SER C 2.418 C A 0058 GLY CA
C A 0057 SER C 3.157 C A 0058 GLY C
C A 0058 GLY CA 3.797 E A 0059 LEU CA
C A 0058 GLY C 2.435 E A 0059 LEU CA
C A 0058 GLY C 3.553 E A 0059 LEU C
C A 0058 GLY C 3.408 E A 0059 LEU CB
C A 0058 GLY C 3.724 E A 0059 LEU CG
E A 0059 LEU C 2.434 E A 0060 GLN CA
E A 0059 LEU C 3.410 E A 0060 GLN C
E A 0059 LEU C 3.550 E A 0060 GLN CB
E A 0059 LEU CB 3.543 E A 0071 LEU CD1
E A 0059 LEU CD2 3.278 E A 0072 GLU C
E A 0059 LEU CD2 3.794 E A 0073 PRO CA
E A 0060 GLN C 2.434 E A 0061 VAL CA
E A 0060 GLN C 3.504 E A 0061 VAL C
E A 0060 GLN C 3.494 E A 0061 VAL CB
E A 0060 GLN C 3.431 E A 0061 VAL CG2
E A 0060 GLN CG 3.738 E A 0062 LYS CD
E A 0060 GLN CG 3.793 E A 0062 LYS CE
E A 0061 VAL C 2.433 E A 0062 LYS CA
E A 0061 VAL C 3.584 E A 0062 LYS C
E A 0061 VAL C 3.366 E A 0062 LYS CB
E A 0061 VAL CG1 3.724 E A 0069 TRP CB
E A 0061 VAL CG1 3.612 E A 0069 TRP CE3
E A 0061 VAL CG1 3.546 E A 0071 LEU CD2
E A 0061 VAL CG2 3.361 E A 0071 LEU CD1
E A 0061 VAL CG2 3.416 E A 0071 LEU CD2
E A 0062 LYS CA 2.867 E A 0063 PRO CD
E A 0062 LYS C 2.463 E A 0063 PRO CA
E A 0062 LYS C 3.136 E A 0063 PRO C
E A 0062 LYS C 3.645 E A 0063 PRO CB
E A 0062 LYS C 3.635 E A 0063 PRO CG
E A 0062 LYS C 2.497 E A 0063 PRO CD
E A 0062 LYS CB 3.605 E A 0063 PRO CD
E A 0063 PRO C 2.434 C A 0064 LEU CA
E A 0063 PRO C 3.471 C A 0064 LEU C
E A 0063 PRO C 3.497 C A 0064 LEU CB
E A 0063 PRO C 3.566 C A 0064 LEU CG
E A 0063 PRO C 3.496 C A 0064 LEU CD2
C A 0064 LEU CA 3.791 C A 0065 GLY CA
C A 0064 LEU C 2.417 C A 0065 GLY CA
C A 0064 LEU C 3.464 C A 0065 GLY C
C A 0064 LEU CD2 3.774 E A 0070 THR CB
C A 0064 LEU CD2 3.190 E A 0070 THR CG2
C A 0065 GLY CA 3.797 C A 0066 ASN CA
C A 0065 GLY C 2.434 C A 0066 ASN CA
C A 0065 GLY C 2.989 C A 0066 ASN C
C A 0065 GLY C 3.715 C A 0066 ASN CB
C A 0066 ASN C 2.434 C A 0067 ASN CA
C A 0066 ASN C 3.569 C A 0067 ASN C
C A 0066 ASN C 3.389 C A 0067 ASN CB
C A 0067 ASN C 2.434 E A 0068 SER CA
C A 0067 ASN C 3.275 E A 0068 SER C
C A 0067 ASN C 3.638 E A 0068 SER CB
C A 0067 ASN C 3.568 E A 0069 TRP CD1
E A 0068 SER C 2.434 E A 0069 TRP CA
E A 0068 SER C 3.432 E A 0069 TRP C
E A 0068 SER C 3.530 E A 0069 TRP CB
E A 0068 SER C 3.649 E A 0069 TRP CG
E A 0068 SER C 3.337 E A 0069 TRP CD1
E A 0069 TRP C 2.434 E A 0070 THR CA
E A 0069 TRP C 3.601 E A 0070 THR C
E A 0069 TRP C 3.369 E A 0070 THR CB
E A 0070 THR C 2.435 E A 0071 LEU CA
E A 0070 THR C 3.421 E A 0071 LEU C
E A 0070 THR C 3.543 E A 0071 LEU CB
E A 0070 THR C 3.495 E A 0071 LEU CD2
E A 0070 THR CG2 3.670 E A 0072 GLU CD
E A 0071 LEU C 2.433 E A 0072 GLU CA
E A 0071 LEU C 3.516 E A 0072 GLU C
E A 0071 LEU C 3.452 E A 0072 GLU CB
E A 0072 GLU CA 2.866 E A 0073 PRO CD
E A 0072 GLU C 2.464 E A 0073 PRO CA
E A 0072 GLU C 3.136 E A 0073 PRO C
E A 0072 GLU C 3.646 E A 0073 PRO CB
E A 0072 GLU C 3.635 E A 0073 PRO CG
E A 0072 GLU C 2.499 E A 0073 PRO CD
E A 0072 GLU CB 3.266 E A 0073 PRO CD
E A 0072 GLU CG 3.724 E A 0073 PRO CD
E A 0073 PRO C 2.434 C A 0074 ALA CA
E A 0073 PRO C 3.424 C A 0074 ALA C
E A 0073 PRO C 3.531 C A 0074 ALA CB
C A 0074 ALA CA 2.867 C A 0075 PRO CD
C A 0074 ALA C 2.464 C A 0075 PRO CA
C A 0074 ALA C 3.136 C A 0075 PRO C
C A 0074 ALA C 3.645 C A 0075 PRO CB
C A 0074 ALA C 3.635 C A 0075 PRO CG
C A 0074 ALA C 2.498 C A 0075 PRO CD
C A 0074 ALA CB 3.228 C A 0075 PRO CD
C A 0075 PRO C 2.433 C A 0076 ALA CA
C A 0075 PRO C 3.620 C A 0076 ALA C
C A 0075 PRO C 3.297 C A 0076 ALA CB
C A 0076 ALA CA 2.867 C A 0077 PRO CD
C A 0076 ALA C 2.464 C A 0077 PRO CA
C A 0076 ALA C 3.137 C A 0077 PRO C
C A 0076 ALA C 3.646 C A 0077 PRO CB
C A 0076 ALA C 3.636 C A 0077 PRO CG
C A 0076 ALA C 2.498 C A 0077 PRO CD
C A 0076 ALA CB 3.227 C A 0077 PRO CD
C A 0077 PRO C 2.434 C A 0078 LYS CA
C A 0077 PRO C 2.940 C A 0078 LYS C
C A 0077 PRO C 3.713 C A 0078 LYS CB
C A 0078 LYS C 2.433 C A 0079 GLU CA
C A 0078 LYS C 2.936 C A 0079 GLU C
C A 0078 LYS C 3.713 C A 0079 GLU CB
C A 0079 GLU C 2.434 C A 0080 ASP CA
C A 0079 GLU C 3.589 C A 0080 ASP C
C A 0079 GLU C 3.356 C A 0080 ASP CB
C A 0079 GLU C 3.536 C A 0080 ASP CG
C A 0080 ASP C 2.434 C A 0081 ALA CA
C A 0080 ASP C 3.424 C A 0081 ALA C
C A 0080 ASP C 3.528 C A 0081 ALA CB
C A 0081 ALA C 2.434 C A 0082 LEU CA
C A 0081 ALA C 3.188 C A 0082 LEU C
C A 0081 ALA C 3.675 C A 0082 LEU CB
C A 0082 LEU C 2.434 C A 0083 THR CA
C A 0082 LEU C 2.941 C A 0083 THR C
C A 0082 LEU C 3.734 C A 0083 THR CB
C A 0083 THR C 2.434 C A 0084 VAL CA
C A 0083 THR C 3.199 C A 0084 VAL C
C A 0083 THR C 3.696 C A 0084 VAL CB
C A 0084 VAL C 2.435 C A 0085 VAL CA
C A 0084 VAL C 3.008 C A 0085 VAL C
C A 0084 VAL C 3.736 C A 0085 VAL CB
C A 0085 VAL CA 3.791 C A 0086 GLY CA
C A 0085 VAL C 2.418 C A 0086 GLY CA
C A 0085 VAL C 3.163 C A 0086 GLY C
C A 0086 GLY CA 3.796 C A 0087 ASP CA
C A 0086 GLY C 2.434 C A 0087 ASP CA
C A 0086 GLY C 3.624 C A 0087 ASP C
C A 0086 GLY C 3.300 C A 0087 ASP CB
C A 0087 ASP C 2.433 C A 0088 TRP CA
C A 0087 ASP C 3.267 C A 0088 TRP C
C A 0087 ASP C 3.640 C A 0088 TRP CB
C A 0088 TRP C 2.434 C A 0089 LEU CA
C A 0088 TRP C 3.149 C A 0089 LEU C
C A 0088 TRP C 3.689 C A 0089 LEU CB
C A 0089 LEU CA 3.792 C A 0090 GLY CA
C A 0089 LEU C 2.419 C A 0090 GLY CA
C A 0089 LEU C 2.936 C A 0090 GLY C
C A 0090 GLY CA 3.796 C A 0091 ASP CA
C A 0090 GLY C 2.434 C A 0091 ASP CA
C A 0090 GLY C 3.432 C A 0091 ASP C
C A 0090 GLY C 3.532 C A 0091 ASP CB
C A 0091 ASP C 2.434 C A 0092 ALA CA
C A 0091 ASP C 3.265 C A 0092 ALA C
C A 0091 ASP C 3.633 C A 0092 ALA CB
C A 0092 ALA C 2.434 C A 0093 ARG CA
C A 0092 ALA C 3.502 C A 0093 ARG C
C A 0092 ALA C 3.469 C A 0093 ARG CB
C A 0093 ARG C 2.434 C A 0094 GLU CA
C A 0093 ARG C 3.521 C A 0094 GLU C
C A 0093 ARG C 3.445 C A 0094 GLU CB
C A 0093 ARG C 3.511 C A 0094 GLU CG
C A 0094 GLU C 2.434 C A 0095 ASN CA
C A 0094 GLU C 3.450 C A 0095 ASN C
C A 0094 GLU C 3.519 C A 0095 ASN CB
C A 0095 ASN C 2.433 C A 0096 ASP CA
C A 0095 ASN C 3.105 C A 0096 ASP C
C A 0095 ASN C 3.698 C A 0096 ASP CB
C A 0096 ASP C 2.434 C A 0097 LEU CA
C A 0096 ASP C 3.546 C A 0097 LEU C
C A 0096 ASP C 3.417 C A 0097 LEU CB
C A 0097 LEU C 2.433 C A 0098 GLU CA
C A 0097 LEU C 3.495 C A 0098 GLU C
C A 0097 LEU C 3.475 C A 0098 GLU CB
C A 0098 GLU C 2.435 C A 0099 HIS CA
C A 0098 GLU C 3.675 C A 0099 HIS C
C A 0098 GLU C 3.191 C A 0099 HIS CB
C A 0099 HIS C 2.434 C A 0100 HIS CA
C A 0099 HIS C 3.524 C A 0100 HIS C
C A 0099 HIS C 3.443 C A 0100 HIS CB
C A 0100 HIS C 2.435 C A 0101 HIS CA
C A 0100 HIS C 3.199 C A 0101 HIS C
C A 0100 HIS C 3.673 C A 0101 HIS CB
C A 0101 HIS C 2.434 C A 0102 HIS CA
C A 0101 HIS C 3.560 C A 0102 HIS C
C A 0101 HIS C 3.397 C A 0102 HIS CB
C A 0102 HIS C 2.435 C A 0103 HIS CA
C A 0102 HIS C 3.388 C A 0103 HIS C
C A 0102 HIS C 3.568 C A 0103 HIS CB
C A 0103 HIS C 2.435 C A 0104 HIS CA
C A 0103 HIS C 2.992 C A 0104 HIS C
C A 0103 HIS C 3.716 C A 0104 HIS CB
CHARGE_ATTR 2.00 12.00 46
H A 0011 ASP OD1 8.885 H A 0012 LYS NZ
H A 0011 ASP OD2 7.309 H A 0012 LYS NZ
H A 0011 ASP OD1 4.320 H A 0033 ARG NH1
H A 0011 ASP OD1 4.160 H A 0033 ARG NH2
H A 0011 ASP OD2 4.019 H A 0033 ARG NH1
H A 0011 ASP OD2 4.751 H A 0033 ARG NH2
H A 0028 ASP OD1 11.65 H A 0033 ARG NH2
H A 0028 ASP OD2 11.85 C A 0035 LYS NZ
E A 0043 ASP OD1 11.59 H A 0020 HIS ND1
E A 0043 ASP OD1 11.35 H A 0020 HIS NE2
E A 0043 ASP OD2 11.26 H A 0020 HIS ND1
E A 0043 ASP OD2 10.91 H A 0020 HIS NE2
E A 0043 ASP OD1 10.02 E A 0041 HIS ND1
E A 0043 ASP OD1 10.91 E A 0041 HIS NE2
E A 0043 ASP OD2 11.84 E A 0041 HIS ND1
H A 0045 ASP OD1 8.143 H A 0020 HIS ND1
H A 0045 ASP OD1 7.742 H A 0020 HIS NE2
H A 0045 ASP OD2 9.157 H A 0020 HIS ND1
H A 0045 ASP OD2 8.297 H A 0020 HIS NE2
H A 0047 GLU OE1 11.20 H A 0020 HIS NE2
H A 0047 GLU OE2 10.31 E A 0062 LYS NZ
E A 0072 GLU OE1 5.611 E A 0062 LYS NZ
E A 0072 GLU OE2 7.790 E A 0062 LYS NZ
C A 0079 GLU OE1 11.42 C A 0035 LYS NZ
C A 0079 GLU OE2 10.68 C A 0035 LYS NZ
C A 0079 GLU OE1 5.653 C A 0078 LYS NZ
C A 0079 GLU OE2 7.249 C A 0078 LYS NZ
C A 0080 ASP OD1 6.250 C A 0078 LYS NZ
C A 0080 ASP OD2 5.938 C A 0078 LYS NZ
C A 0091 ASP OD1 8.755 C A 0093 ARG NH1
C A 0091 ASP OD1 9.206 C A 0093 ARG NH2
C A 0091 ASP OD2 6.888 C A 0093 ARG NH1
C A 0091 ASP OD2 7.321 C A 0093 ARG NH2
C A 0094 GLU OE1 11.96 C A 0093 ARG NH1
C A 0094 GLU OE2 11.38 C A 0093 ARG NH1
C A 0094 GLU OE2 11.82 C A 0093 ARG NH2
C A 0098 GLU OE1 9.460 C A 0099 HIS ND1
C A 0098 GLU OE1 10.59 C A 0099 HIS NE2
C A 0098 GLU OE2 7.363 C A 0099 HIS ND1
C A 0098 GLU OE2 8.591 C A 0099 HIS NE2
C A 0098 GLU OE1 8.913 C A 0100 HIS ND1
C A 0098 GLU OE1 8.089 C A 0100 HIS NE2
C A 0098 GLU OE2 7.517 C A 0100 HIS ND1
C A 0098 GLU OE2 7.121 C A 0100 HIS NE2
C A 0098 GLU OE2 11.32 C A 0101 HIS ND1
C A 0098 GLU OE2 10.39 C A 0101 HIS NE2
CHARGE_REPU 2.00 12.00 75
H A 0012 LYS NZ 10.91 H A 0033 ARG NH1
H A 0012 LYS NZ 11.88 H A 0033 ARG NH2
H A 0028 ASP OD1 9.718 E A 0072 GLU OE1
H A 0028 ASP OD1 7.544 E A 0072 GLU OE2
H A 0028 ASP OD2 7.736 E A 0072 GLU OE1
H A 0028 ASP OD2 5.595 E A 0072 GLU OE2
E A 0043 ASP OD1 9.447 H A 0045 ASP OD1
E A 0043 ASP OD1 8.895 H A 0045 ASP OD2
E A 0043 ASP OD2 7.672 H A 0045 ASP OD1
E A 0043 ASP OD2 7.009 H A 0045 ASP OD2
H A 0045 ASP OD1 8.745 H A 0047 GLU OE1
H A 0045 ASP OD1 10.39 H A 0047 GLU OE2
H A 0045 ASP OD2 8.034 H A 0047 GLU OE1
H A 0045 ASP OD2 9.343 H A 0047 GLU OE2
C A 0055 ASP OD1 11.98 C A 0079 GLU OE2
C A 0079 GLU OE1 9.647 C A 0080 ASP OD1
C A 0079 GLU OE1 8.660 C A 0080 ASP OD2
C A 0079 GLU OE2 10.09 C A 0080 ASP OD1
C A 0079 GLU OE2 8.832 C A 0080 ASP OD2
C A 0087 ASP OD1 11.39 C A 0091 ASP OD1
C A 0087 ASP OD2 10.10 C A 0091 ASP OD1
C A 0087 ASP OD2 11.57 C A 0094 GLU OE2
C A 0094 GLU OE1 8.600 C A 0096 ASP OD1
C A 0094 GLU OE1 8.392 C A 0096 ASP OD2
C A 0094 GLU OE2 9.965 C A 0096 ASP OD1
C A 0094 GLU OE2 9.892 C A 0096 ASP OD2
C A 0096 ASP OD1 9.260 C A 0098 GLU OE1
C A 0096 ASP OD1 10.28 C A 0098 GLU OE2
C A 0096 ASP OD2 8.506 C A 0098 GLU OE1
C A 0096 ASP OD2 9.171 C A 0098 GLU OE2
C A 0099 HIS ND1 7.180 C A 0100 HIS ND1
C A 0099 HIS ND1 8.175 C A 0100 HIS NE2
C A 0099 HIS NE2 6.519 C A 0100 HIS ND1
C A 0099 HIS NE2 7.569 C A 0100 HIS NE2
C A 0099 HIS ND1 8.931 C A 0101 HIS ND1
C A 0099 HIS ND1 9.154 C A 0101 HIS NE2
C A 0099 HIS NE2 8.835 C A 0101 HIS ND1
C A 0099 HIS NE2 9.517 C A 0101 HIS NE2
C A 0099 HIS ND1 8.211 C A 0102 HIS ND1
C A 0099 HIS ND1 9.333 C A 0102 HIS NE2
C A 0099 HIS NE2 6.471 C A 0102 HIS ND1
C A 0099 HIS NE2 7.540 C A 0102 HIS NE2
C A 0100 HIS ND1 7.116 C A 0101 HIS ND1
C A 0100 HIS ND1 7.562 C A 0101 HIS NE2
C A 0100 HIS NE2 9.183 C A 0101 HIS ND1
C A 0100 HIS NE2 9.440 C A 0101 HIS NE2
C A 0100 HIS ND1 5.699 C A 0102 HIS ND1
C A 0100 HIS ND1 7.799 C A 0102 HIS NE2
C A 0100 HIS NE2 7.213 C A 0102 HIS ND1
C A 0100 HIS NE2 9.355 C A 0102 HIS NE2
C A 0100 HIS ND1 10.29 C A 0103 HIS ND1
C A 0100 HIS ND1 9.376 C A 0103 HIS NE2
C A 0100 HIS NE2 11.75 C A 0103 HIS ND1
C A 0100 HIS NE2 10.69 C A 0103 HIS NE2
C A 0101 HIS ND1 7.296 C A 0102 HIS ND1
C A 0101 HIS ND1 8.016 C A 0102 HIS NE2
C A 0101 HIS NE2 9.021 C A 0102 HIS ND1
C A 0101 HIS NE2 9.968 C A 0102 HIS NE2
C A 0101 HIS ND1 8.178 C A 0103 HIS ND1
C A 0101 HIS ND1 7.750 C A 0103 HIS NE2
C A 0101 HIS NE2 9.748 C A 0103 HIS ND1
C A 0101 HIS NE2 8.964 C A 0103 HIS NE2
C A 0101 HIS ND1 10.45 C A 0104 HIS ND1
C A 0101 HIS ND1 11.81 C A 0104 HIS NE2
C A 0102 HIS ND1 8.267 C A 0103 HIS ND1
C A 0102 HIS ND1 8.636 C A 0103 HIS NE2
C A 0102 HIS NE2 8.270 C A 0103 HIS ND1
C A 0102 HIS NE2 9.141 C A 0103 HIS NE2
C A 0102 HIS ND1 10.93 C A 0104 HIS ND1
C A 0102 HIS NE2 9.939 C A 0104 HIS ND1
C A 0102 HIS NE2 11.30 C A 0104 HIS NE2
C A 0103 HIS ND1 5.084 C A 0104 HIS ND1
C A 0103 HIS ND1 5.147 C A 0104 HIS NE2
C A 0103 HIS NE2 6.995 C A 0104 HIS ND1
C A 0103 HIS NE2 6.905 C A 0104 HIS NE2
HB_MM 2.00 3.20 140
E A 0002 GLN N 2.251 C A 0001 ALA O
E A 0003 VAL N 3.106 C A 0001 ALA O
E A 0003 VAL N 2.250 E A 0002 GLN O
E A 0003 VAL N 2.751 E A 0042 GLY O
E A 0004 ASN N 2.250 E A 0003 VAL O
C A 0005 ILE N 2.251 E A 0004 ASN O
C A 0005 ILE N 2.920 C A 0040 LEU O
C A 0006 ALA N 2.249 C A 0005 ILE O
C A 0007 PRO N 2.253 C A 0006 ALA O
C A 0008 GLY N 2.249 C A 0007 PRO O
H A 0009 SER N 2.250 C A 0008 GLY O
H A 0010 LEU N 2.250 H A 0009 SER O
H A 0011 ASP N 2.250 H A 0010 LEU O
H A 0012 LYS N 2.249 H A 0011 ASP O
H A 0013 ALA N 2.945 H A 0009 SER O
H A 0013 ALA N 2.250 H A 0012 LYS O
H A 0014 LEU N 2.984 H A 0010 LEU O
H A 0014 LEU N 2.851 H A 0012 LYS O
H A 0014 LEU N 2.250 H A 0013 ALA O
H A 0015 ASN N 2.974 H A 0012 LYS O
H A 0015 ASN N 2.250 H A 0014 LEU O
H A 0016 GLN N 2.902 H A 0012 LYS O
H A 0016 GLN N 2.250 H A 0015 ASN O
H A 0017 TYR N 2.250 H A 0016 GLN O
H A 0018 ALA N 2.735 H A 0014 LEU O
H A 0018 ALA N 2.249 H A 0017 TYR O
H A 0019 ALA N 2.881 H A 0015 ASN O
H A 0019 ALA N 2.250 H A 0018 ALA O
H A 0020 HIS N 3.024 H A 0017 TYR O
H A 0020 HIS N 2.251 H A 0019 ALA O
H A 0021 SER N 2.948 H A 0017 TYR O
H A 0021 SER N 2.250 H A 0020 HIS O
H A 0022 GLY N 3.104 H A 0018 ALA O
H A 0022 GLY N 2.249 H A 0021 SER O
C A 0023 PHE N 2.250 H A 0022 GLY O
E A 0024 THR N 2.250 C A 0023 PHE O
E A 0025 LEU N 2.250 E A 0024 THR O
C A 0026 SER N 2.251 E A 0025 LEU O
C A 0026 SER N 2.851 E A 0069 TRP O
C A 0027 VAL N 2.250 C A 0026 SER O
H A 0028 ASP N 2.250 C A 0027 VAL O
H A 0029 ALA N 2.736 C A 0027 VAL O
H A 0029 ALA N 2.249 H A 0028 ASP O
H A 0030 SER N 3.179 H A 0028 ASP O
H A 0030 SER N 2.251 H A 0029 ALA O
H A 0031 LEU N 3.184 H A 0029 ALA O
H A 0031 LEU N 2.251 H A 0030 SER O
H A 0032 THR N 3.059 H A 0029 ALA O
H A 0032 THR N 2.251 H A 0031 LEU O
H A 0033 ARG N 2.883 H A 0029 ALA O
H A 0033 ARG N 2.250 H A 0032 THR O
C A 0034 GLY N 2.749 H A 0032 THR O
C A 0034 GLY N 2.250 H A 0033 ARG O
C A 0035 LYS N 2.915 H A 0032 THR O
C A 0035 LYS N 2.249 C A 0034 GLY O
C A 0036 GLN N 2.250 C A 0035 LYS O
C A 0037 SER N 2.250 C A 0036 GLN O
C A 0038 ASN N 2.249 C A 0037 SER O
C A 0039 GLY N 2.251 C A 0038 ASN O
C A 0040 LEU N 2.251 C A 0039 GLY O
E A 0041 HIS N 2.251 C A 0040 LEU O
E A 0042 GLY N 2.249 E A 0041 HIS O
E A 0043 ASP N 2.250 E A 0042 GLY O
C A 0044 TYR N 3.001 C A 0001 ALA O
C A 0044 TYR N 2.250 E A 0043 ASP O
H A 0045 ASP N 2.249 C A 0044 TYR O
H A 0046 VAL N 2.250 H A 0045 ASP O
H A 0047 GLU N 2.250 H A 0046 VAL O
H A 0048 SER N 2.251 H A 0047 GLU O
H A 0049 GLY N 2.703 H A 0045 ASP O
H A 0049 GLY N 2.249 H A 0048 SER O
H A 0050 LEU N 3.030 H A 0046 VAL O
H A 0050 LEU N 3.085 H A 0047 GLU O
H A 0050 LEU N 2.250 H A 0049 GLY O
H A 0051 GLN N 2.901 H A 0047 GLU O
H A 0051 GLN N 2.250 H A 0050 LEU O
H A 0052 GLN N 3.163 H A 0048 SER O
H A 0052 GLN N 3.129 H A 0049 GLY O
H A 0052 GLN N 2.250 H A 0051 GLN O
H A 0053 LEU N 3.084 H A 0049 GLY O
H A 0053 LEU N 3.127 H A 0050 LEU O
H A 0053 LEU N 2.250 H A 0052 GLN O
H A 0054 LEU N 2.250 H A 0053 LEU O
C A 0055 ASP N 2.976 H A 0051 GLN O
C A 0055 ASP N 2.250 H A 0054 LEU O
C A 0056 GLY N 3.007 H A 0054 LEU O
C A 0056 GLY N 2.249 C A 0055 ASP O
C A 0057 SER N 2.251 C A 0056 GLY O
C A 0058 GLY N 2.249 C A 0057 SER O
E A 0059 LEU N 2.250 C A 0058 GLY O
E A 0060 GLN N 2.251 E A 0059 LEU O
E A 0061 VAL N 2.251 E A 0060 GLN O
E A 0062 LYS N 2.249 E A 0061 VAL O
E A 0063 PRO N 2.253 E A 0062 LYS O
C A 0064 LEU N 2.250 E A 0063 PRO O
C A 0064 LEU N 2.684 E A 0068 SER O
C A 0065 GLY N 2.250 C A 0064 LEU O
C A 0066 ASN N 2.249 C A 0065 GLY O
C A 0067 ASN N 2.250 C A 0066 ASN O
E A 0068 SER N 2.251 C A 0067 ASN O
E A 0069 TRP N 3.021 E A 0024 THR O
E A 0069 TRP N 2.250 E A 0068 SER O
E A 0070 THR N 3.093 E A 0062 LYS O
E A 0070 THR N 2.250 E A 0069 TRP O
E A 0071 LEU N 2.250 E A 0070 THR O
E A 0072 GLU N 3.115 E A 0060 GLN O
E A 0072 GLU N 2.251 E A 0071 LEU O
E A 0073 PRO N 2.253 E A 0072 GLU O
C A 0074 ALA N 2.250 E A 0073 PRO O
C A 0075 PRO N 2.253 C A 0074 ALA O
C A 0076 ALA N 2.251 C A 0075 PRO O
C A 0077 PRO N 2.253 C A 0076 ALA O
C A 0078 LYS N 2.249 C A 0077 PRO O
C A 0079 GLU N 2.776 C A 0077 PRO O
C A 0079 GLU N 2.250 C A 0078 LYS O
C A 0080 ASP N 2.250 C A 0079 GLU O
C A 0081 ALA N 2.250 C A 0080 ASP O
C A 0082 LEU N 2.250 C A 0081 ALA O
C A 0083 THR N 2.250 C A 0082 LEU O
C A 0084 VAL N 2.250 C A 0083 THR O
C A 0085 VAL N 2.250 C A 0084 VAL O
C A 0086 GLY N 2.250 C A 0085 VAL O
C A 0087 ASP N 2.250 C A 0086 GLY O
C A 0088 TRP N 2.249 C A 0087 ASP O
C A 0089 LEU N 2.250 C A 0088 TRP O
C A 0090 GLY N 2.250 C A 0089 LEU O
C A 0091 ASP N 2.250 C A 0090 GLY O
C A 0092 ALA N 2.250 C A 0091 ASP O
C A 0093 ARG N 2.251 C A 0092 ALA O
C A 0094 GLU N 2.250 C A 0093 ARG O
C A 0095 ASN N 2.250 C A 0094 GLU O
C A 0096 ASP N 2.249 C A 0095 ASN O
C A 0097 LEU N 2.250 C A 0096 ASP O
C A 0098 GLU N 2.250 C A 0097 LEU O
C A 0099 HIS N 2.250 C A 0098 GLU O
C A 0100 HIS N 2.251 C A 0099 HIS O
C A 0101 HIS N 2.250 C A 0100 HIS O
C A 0102 HIS N 2.251 C A 0101 HIS O
C A 0103 HIS N 2.250 C A 0102 HIS O
C A 0104 HIS N 2.251 C A 0103 HIS O
HB_MS 2.00 3.20 11
C A 0008 GLY O 2.922 H A 0009 SER OG
H A 0012 LYS O 2.627 H A 0015 ASN ND2
C A 0026 SER O 2.598 E A 0070 THR OG1
C A 0038 ASN N 2.753 C A 0037 SER OG
H A 0053 LEU O 2.646 C A 0037 SER OG
E A 0071 LEU N 2.923 E A 0070 THR OG1
E A 0072 GLU O 3.118 E A 0060 GLN NE2
E A 0073 PRO O 2.746 E A 0060 GLN NE2
C A 0079 GLU O 2.810 C A 0078 LYS NZ
C A 0084 VAL N 2.812 C A 0083 THR OG1
C A 0099 HIS N 3.150 C A 0098 GLU OE2
HB_SS 2.00 3.20 2
E A 0069 TRP NE1 2.948 C A 0067 ASN OD1
E A 0072 GLU OE2 2.838 E A 0070 THR OG1