Complet list of 1r1b con file
Complete list of 1r1b.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 323
C A 0001 MET CA 3.796 C A 0002 VAL CA
C A 0001 MET C 2.417 C A 0002 VAL CA
C A 0001 MET C 3.584 C A 0002 VAL C
C A 0001 MET C 3.307 C A 0002 VAL CB
C A 0001 MET CA 3.458 C A 0044 THR CG2
C A 0002 VAL CA 3.796 C A 0003 TYR CA
C A 0002 VAL C 2.418 C A 0003 TYR CA
C A 0002 VAL C 3.584 C A 0003 TYR C
C A 0002 VAL C 3.295 C A 0003 TYR CB
C A 0002 VAL C 3.703 C A 0003 TYR CD1
C A 0003 TYR C 2.445 H A 0004 ASP CA
C A 0003 TYR C 3.153 H A 0004 ASP C
C A 0003 TYR C 3.691 H A 0004 ASP CB
C A 0003 TYR C 3.692 H A 0006 ILE CG2
C A 0003 TYR CB 3.138 H A 0006 ILE CG2
C A 0003 TYR CG 3.640 H A 0006 ILE CG2
C A 0003 TYR CD2 3.704 H A 0006 ILE CB
C A 0003 TYR CD2 3.171 H A 0006 ILE CG1
C A 0003 TYR CD2 3.201 H A 0006 ILE CG2
C A 0003 TYR CE2 3.693 H A 0006 ILE CG1
C A 0003 TYR CD2 3.461 H A 0007 ALA CA
C A 0003 TYR CD2 3.228 H A 0007 ALA CB
C A 0003 TYR CE2 3.230 H A 0007 ALA CA
C A 0003 TYR CE2 3.029 H A 0007 ALA CB
C A 0003 TYR CZ 3.550 H A 0007 ALA CB
C A 0003 TYR CB 3.644 C A 0048 TYR CG
C A 0003 TYR CG 3.650 C A 0048 TYR CG
C A 0003 TYR CG 3.407 C A 0048 TYR CD1
C A 0003 TYR CG 3.616 C A 0048 TYR CE1
C A 0003 TYR CD1 3.498 C A 0048 TYR CD1
C A 0003 TYR CD1 3.143 C A 0048 TYR CE1
C A 0003 TYR CD1 3.776 C A 0048 TYR CE2
C A 0003 TYR CD1 3.297 C A 0048 TYR CZ
C A 0003 TYR CD2 3.552 C A 0048 TYR CD1
C A 0003 TYR CE1 3.720 C A 0048 TYR CD1
C A 0003 TYR CE1 3.071 C A 0048 TYR CE1
C A 0003 TYR CE1 3.493 C A 0048 TYR CZ
C A 0003 TYR CE2 3.766 C A 0048 TYR CD1
C A 0003 TYR CZ 3.489 C A 0048 TYR CE1
H A 0004 ASP C 2.461 H A 0005 LYS CA
H A 0004 ASP C 2.935 H A 0005 LYS C
H A 0004 ASP C 3.698 H A 0005 LYS CB
H A 0005 LYS CA 3.786 H A 0006 ILE CA
H A 0005 LYS C 2.402 H A 0006 ILE CA
H A 0005 LYS C 2.929 H A 0006 ILE C
H A 0005 LYS C 3.686 H A 0006 ILE CB
H A 0005 LYS CA 3.581 H A 0008 ALA CB
H A 0005 LYS C 3.702 H A 0008 ALA CB
H A 0005 LYS CB 3.379 H A 0036 LEU CG
H A 0005 LYS CB 3.684 H A 0036 LEU CD1
H A 0005 LYS CB 3.736 H A 0036 LEU CD2
H A 0006 ILE C 2.425 H A 0007 ALA CA
H A 0006 ILE C 3.070 H A 0007 ALA C
H A 0006 ILE C 3.698 H A 0007 ALA CB
H A 0006 ILE CD1 3.320 H A 0033 LEU CA
H A 0006 ILE CD1 3.548 H A 0033 LEU C
H A 0006 ILE CD1 3.387 H A 0033 LEU CD2
H A 0006 ILE CD1 3.723 H A 0037 LYS CB
H A 0006 ILE CD1 3.659 C A 0050 PRO CB
H A 0006 ILE CD1 3.318 C A 0050 PRO CG
H A 0007 ALA CA 3.799 H A 0008 ALA CA
H A 0007 ALA C 2.447 H A 0008 ALA CA
H A 0007 ALA C 2.882 H A 0008 ALA C
H A 0007 ALA C 3.676 H A 0008 ALA CB
H A 0008 ALA CA 3.779 H A 0009 GLN CA
H A 0008 ALA C 2.383 H A 0009 GLN CA
H A 0008 ALA C 3.159 H A 0009 GLN C
H A 0008 ALA C 3.616 H A 0009 GLN CB
H A 0009 GLN CA 3.797 H A 0010 GLY CA
H A 0009 GLN C 2.411 H A 0010 GLY CA
H A 0009 GLN C 2.883 H A 0010 GLY C
H A 0009 GLN CA 3.641 H A 0012 VAL CB
H A 0009 GLN CA 3.335 H A 0012 VAL CG2
H A 0009 GLN C 3.619 H A 0012 VAL CB
H A 0009 GLN CD 3.628 H A 0029 ALA CA
H A 0009 GLN CD 3.687 H A 0029 ALA CB
H A 0009 GLN CG 3.704 H A 0032 CYS CB
H A 0009 GLN CD 3.138 H A 0032 CYS CB
H A 0010 GLY CA 3.791 H A 0011 GLU CA
H A 0010 GLY C 2.420 H A 0011 GLU CA
H A 0010 GLY C 3.032 H A 0011 GLU C
H A 0010 GLY C 3.690 H A 0011 GLU CB
H A 0010 GLY CA 3.237 H A 0033 LEU CD2
H A 0011 GLU C 2.421 H A 0012 VAL CA
H A 0011 GLU C 2.878 H A 0012 VAL C
H A 0011 GLU C 3.701 H A 0012 VAL CB
H A 0012 VAL CA 3.793 H A 0013 VAL CA
H A 0012 VAL C 2.415 H A 0013 VAL CA
H A 0012 VAL C 3.057 H A 0013 VAL C
H A 0012 VAL C 3.673 H A 0013 VAL CB
H A 0013 VAL C 2.414 H A 0014 ARG CA
H A 0013 VAL C 2.895 H A 0014 ARG C
H A 0013 VAL C 3.693 H A 0014 ARG CB
H A 0013 VAL CG2 3.312 H A 0025 LYS C
H A 0013 VAL CB 3.773 H A 0026 VAL CA
H A 0013 VAL CG1 3.195 H A 0026 VAL CA
H A 0013 VAL CG1 3.732 H A 0026 VAL C
H A 0013 VAL CG1 3.634 H A 0026 VAL CB
H A 0013 VAL CG1 3.507 H A 0026 VAL CG1
H A 0013 VAL CG1 3.623 H A 0026 VAL CG2
H A 0013 VAL CG2 3.116 H A 0026 VAL CA
H A 0013 VAL CG2 3.692 H A 0026 VAL C
H A 0013 VAL CB 3.093 H A 0029 ALA CB
H A 0013 VAL CG2 2.852 H A 0029 ALA CB
H A 0013 VAL CG1 3.304 C A 0052 LEU CD1
H A 0014 ARG CA 3.792 H A 0015 LYS CA
H A 0014 ARG C 2.416 H A 0015 LYS CA
H A 0014 ARG C 3.042 H A 0015 LYS C
H A 0014 ARG C 3.680 H A 0015 LYS CB
H A 0014 ARG CA 3.752 H A 0017 LYS CG
H A 0014 ARG C 3.679 H A 0017 LYS CG
H A 0015 LYS C 2.426 H A 0016 LEU CA
H A 0015 LYS C 2.986 H A 0016 LEU C
H A 0015 LYS C 3.697 H A 0016 LEU CB
H A 0016 LEU C 2.421 H A 0017 LYS CA
H A 0016 LEU C 2.965 H A 0017 LYS C
H A 0016 LEU C 3.705 H A 0017 LYS CB
H A 0016 LEU CA 3.666 C A 0021 ALA CB
H A 0016 LEU C 3.399 C A 0021 ALA CB
H A 0016 LEU CB 3.223 C A 0021 ALA CB
H A 0016 LEU CG 3.383 C A 0021 ALA CB
H A 0017 LYS C 2.419 H A 0018 ALA CA
H A 0017 LYS C 3.024 H A 0018 ALA C
H A 0017 LYS C 3.691 H A 0018 ALA CB
H A 0017 LYS CB 3.534 H A 0026 VAL CG2
H A 0018 ALA CA 3.800 H A 0019 GLU CA
H A 0018 ALA C 2.426 H A 0019 GLU CA
H A 0018 ALA C 3.212 H A 0019 GLU C
H A 0018 ALA C 3.650 H A 0019 GLU CB
H A 0019 GLU C 2.440 C A 0020 LYS CA
H A 0019 GLU C 3.123 C A 0020 LYS C
H A 0019 GLU C 2.906 C A 0020 LYS CB
H A 0019 GLU C 3.278 C A 0020 LYS CG
C A 0020 LYS CA 3.789 C A 0021 ALA CA
C A 0020 LYS C 2.425 C A 0021 ALA CA
C A 0020 LYS C 3.565 C A 0021 ALA C
C A 0020 LYS C 3.326 C A 0021 ALA CB
C A 0021 ALA CA 2.912 C A 0022 PRO CD
C A 0021 ALA C 2.451 C A 0022 PRO CA
C A 0021 ALA C 3.182 C A 0022 PRO C
C A 0021 ALA C 3.622 C A 0022 PRO CB
C A 0021 ALA C 3.669 C A 0022 PRO CG
C A 0021 ALA C 2.484 C A 0022 PRO CD
C A 0021 ALA CB 2.963 C A 0022 PRO CD
C A 0022 PRO CA 3.795 H A 0023 LYS CA
C A 0022 PRO C 2.421 H A 0023 LYS CA
C A 0022 PRO C 2.996 H A 0023 LYS C
C A 0022 PRO C 3.695 H A 0023 LYS CB
H A 0023 LYS C 2.429 H A 0024 ALA CA
H A 0023 LYS C 2.937 H A 0024 ALA C
H A 0023 LYS C 3.693 H A 0024 ALA CB
H A 0024 ALA CA 3.793 H A 0025 LYS CA
H A 0024 ALA C 2.409 H A 0025 LYS CA
H A 0024 ALA C 3.123 H A 0025 LYS C
H A 0024 ALA C 3.654 H A 0025 LYS CB
H A 0024 ALA C 3.453 H A 0025 LYS CD
H A 0024 ALA C 3.664 H A 0027 THR CG2
H A 0025 LYS CA 3.788 H A 0026 VAL CA
H A 0025 LYS C 2.412 H A 0026 VAL CA
H A 0025 LYS C 2.916 H A 0026 VAL C
H A 0025 LYS C 3.681 H A 0026 VAL CB
H A 0026 VAL C 2.417 H A 0027 THR CA
H A 0026 VAL C 3.015 H A 0027 THR C
H A 0026 VAL C 3.703 H A 0027 THR CB
H A 0027 THR C 2.412 H A 0028 GLU CA
H A 0027 THR C 2.857 H A 0028 GLU C
H A 0027 THR C 3.693 H A 0028 GLU CB
H A 0027 THR CA 3.662 H A 0030 VAL CB
H A 0027 THR C 3.665 H A 0030 VAL CB
H A 0028 GLU CA 3.784 H A 0029 ALA CA
H A 0028 GLU C 2.411 H A 0029 ALA CA
H A 0028 GLU C 2.989 H A 0029 ALA C
H A 0028 GLU C 3.689 H A 0029 ALA CB
H A 0029 ALA CA 3.793 H A 0030 VAL CA
H A 0029 ALA C 2.420 H A 0030 VAL CA
H A 0029 ALA C 2.852 H A 0030 VAL C
H A 0029 ALA C 3.684 H A 0030 VAL CB
H A 0030 VAL CA 3.786 H A 0031 GLU CA
H A 0030 VAL C 2.418 H A 0031 GLU CA
H A 0030 VAL C 3.053 H A 0031 GLU C
H A 0030 VAL C 3.658 H A 0031 GLU CB
H A 0030 VAL CG2 3.319 C A 0052 LEU CB
H A 0030 VAL CG1 3.224 C A 0054 HIS CA
H A 0030 VAL CG1 3.719 C A 0054 HIS CB
H A 0031 GLU CA 3.794 H A 0032 CYS CA
H A 0031 GLU C 2.405 H A 0032 CYS CA
H A 0031 GLU C 2.864 H A 0032 CYS C
H A 0031 GLU C 3.703 H A 0032 CYS CB
H A 0032 CYS CA 3.780 H A 0033 LEU CA
H A 0032 CYS C 2.404 H A 0033 LEU CA
H A 0032 CYS C 3.010 H A 0033 LEU C
H A 0032 CYS C 3.677 H A 0033 LEU CB
H A 0033 LEU C 2.421 H A 0034 LEU CA
H A 0033 LEU C 3.059 H A 0034 LEU C
H A 0033 LEU C 3.685 H A 0034 LEU CB
H A 0033 LEU CB 3.461 C A 0050 PRO CG
H A 0033 LEU CG 3.703 C A 0050 PRO CG
H A 0033 LEU CD1 3.770 C A 0050 PRO CG
H A 0033 LEU CD2 3.341 C A 0050 PRO CB
H A 0033 LEU CD2 3.300 C A 0050 PRO CG
H A 0033 LEU CD1 3.472 C A 0052 LEU CB
H A 0033 LEU CB 3.748 C A 0053 GLU CA
H A 0034 LEU C 2.417 H A 0035 SER CA
H A 0034 LEU C 3.072 H A 0035 SER C
H A 0034 LEU C 3.674 H A 0035 SER CB
H A 0034 LEU CA 3.689 H A 0037 LYS CG
H A 0034 LEU C 3.523 H A 0037 LYS CG
H A 0035 SER C 2.422 H A 0036 LEU CA
H A 0035 SER C 2.967 H A 0036 LEU C
H A 0035 SER C 3.704 H A 0036 LEU CB
H A 0036 LEU CA 3.792 H A 0037 LYS CA
H A 0036 LEU C 2.402 H A 0037 LYS CA
H A 0036 LEU C 2.907 H A 0037 LYS C
H A 0036 LEU C 3.692 H A 0037 LYS CB
H A 0037 LYS C 2.421 H A 0038 ALA CA
H A 0037 LYS C 2.943 H A 0038 ALA C
H A 0037 LYS C 3.699 H A 0038 ALA CB
H A 0037 LYS CA 3.796 H A 0040 TYR CB
H A 0037 LYS C 3.744 H A 0040 TYR CB
H A 0037 LYS C 3.457 C A 0047 GLU CA
H A 0037 LYS CB 3.713 C A 0047 GLU CA
H A 0037 LYS CB 3.368 C A 0047 GLU C
H A 0037 LYS CG 3.705 C A 0047 GLU CA
H A 0037 LYS CG 3.659 C A 0047 GLU C
H A 0037 LYS CD 3.509 C A 0047 GLU C
H A 0037 LYS CE 3.508 C A 0047 GLU CB
H A 0037 LYS CD 3.251 C A 0053 GLU CD
H A 0037 LYS CE 3.458 C A 0053 GLU CD
H A 0038 ALA CA 3.794 H A 0039 GLU CA
H A 0038 ALA C 2.420 H A 0039 GLU CA
H A 0038 ALA C 3.021 H A 0039 GLU C
H A 0038 ALA C 3.696 H A 0039 GLU CB
H A 0039 GLU CA 3.796 H A 0040 TYR CA
H A 0039 GLU C 2.435 H A 0040 TYR CA
H A 0039 GLU C 2.938 H A 0040 TYR C
H A 0039 GLU C 3.691 H A 0040 TYR CB
H A 0040 TYR C 2.444 C A 0041 LYS CA
H A 0040 TYR C 2.824 C A 0041 LYS C
H A 0040 TYR C 3.235 C A 0041 LYS CB
H A 0040 TYR CD1 3.599 C A 0042 GLU CG
H A 0040 TYR CD1 3.793 C A 0042 GLU CD
H A 0040 TYR CE1 3.575 C A 0042 GLU CB
H A 0040 TYR CE1 3.499 C A 0042 GLU CG
H A 0040 TYR CE1 3.462 C A 0042 GLU CD
H A 0040 TYR CD2 3.372 C A 0048 TYR CB
H A 0040 TYR CE2 3.756 C A 0048 TYR CB
H A 0040 TYR CE2 3.269 C A 0048 TYR CD2
C A 0041 LYS CA 3.798 C A 0042 GLU CA
C A 0041 LYS C 2.413 C A 0042 GLU CA
C A 0041 LYS C 3.093 C A 0042 GLU C
C A 0041 LYS C 3.677 C A 0042 GLU CB
C A 0041 LYS CA 3.558 C A 0046 LYS CA
C A 0041 LYS C 3.746 C A 0046 LYS CD
C A 0041 LYS CG 3.403 C A 0046 LYS CA
C A 0041 LYS CG 3.600 C A 0046 LYS CB
C A 0041 LYS CG 3.370 C A 0046 LYS CD
C A 0041 LYS CG 3.505 C A 0046 LYS CE
C A 0042 GLU CA 3.792 C A 0043 LYS CA
C A 0042 GLU C 2.412 C A 0043 LYS CA
C A 0042 GLU C 3.692 C A 0043 LYS C
C A 0042 GLU C 3.013 C A 0043 LYS CB
C A 0042 GLU C 3.413 C A 0043 LYS CG
C A 0043 LYS CA 3.787 C A 0044 THR CA
C A 0043 LYS C 2.409 C A 0044 THR CA
C A 0043 LYS C 3.559 C A 0044 THR C
C A 0043 LYS C 3.338 C A 0044 THR CB
C A 0044 THR CA 3.779 C A 0045 GLY CA
C A 0044 THR C 2.404 C A 0045 GLY CA
C A 0044 THR C 3.386 C A 0045 GLY C
C A 0044 THR CG2 3.756 C A 0048 TYR CE2
C A 0045 GLY C 2.426 C A 0046 LYS CA
C A 0045 GLY C 2.924 C A 0046 LYS C
C A 0045 GLY C 2.981 C A 0046 LYS CB
C A 0045 GLY C 3.414 C A 0046 LYS CG
C A 0046 LYS CA 3.753 C A 0047 GLU CA
C A 0046 LYS C 2.393 C A 0047 GLU CA
C A 0046 LYS C 2.804 C A 0047 GLU C
C A 0046 LYS C 2.949 C A 0047 GLU CB
C A 0046 LYS C 3.446 C A 0047 GLU CG
C A 0047 GLU CA 3.785 C A 0048 TYR CA
C A 0047 GLU C 2.454 C A 0048 TYR CA
C A 0047 GLU C 2.937 C A 0048 TYR C
C A 0047 GLU C 3.693 C A 0048 TYR CB
C A 0048 TYR CA 3.788 C A 0049 VAL CA
C A 0048 TYR C 2.431 C A 0049 VAL CA
C A 0048 TYR C 3.336 C A 0049 VAL C
C A 0048 TYR C 3.583 C A 0049 VAL CB
C A 0048 TYR C 3.688 C A 0049 VAL CG2
C A 0048 TYR CD1 3.697 C A 0049 VAL CA
C A 0048 TYR CD1 3.337 C A 0049 VAL C
C A 0048 TYR CE1 3.674 C A 0049 VAL C
C A 0048 TYR C 3.718 C A 0050 PRO CD
C A 0049 VAL CA 2.846 C A 0050 PRO CD
C A 0049 VAL C 2.464 C A 0050 PRO CA
C A 0049 VAL C 3.238 C A 0050 PRO C
C A 0049 VAL C 3.616 C A 0050 PRO CB
C A 0049 VAL C 3.657 C A 0050 PRO CG
C A 0049 VAL C 2.466 C A 0050 PRO CD
C A 0050 PRO C 2.416 C A 0051 GLY CA
C A 0050 PRO C 3.691 C A 0051 GLY C
C A 0051 GLY CA 3.778 C A 0052 LEU CA
C A 0051 GLY C 2.409 C A 0052 LEU CA
C A 0051 GLY C 3.199 C A 0052 LEU C
C A 0051 GLY C 3.625 C A 0052 LEU CB
C A 0052 LEU C 2.422 C A 0053 GLU CA
C A 0052 LEU C 2.896 C A 0053 GLU C
C A 0052 LEU C 3.012 C A 0053 GLU CB
C A 0053 GLU CA 3.794 C A 0054 HIS CA
C A 0053 GLU C 2.434 C A 0054 HIS CA
C A 0053 GLU C 3.148 C A 0054 HIS C
C A 0053 GLU C 2.858 C A 0054 HIS CB
C A 0054 HIS CA 3.794 C A 0055 HIS CA
C A 0054 HIS C 2.422 C A 0055 HIS CA
C A 0054 HIS C 3.138 C A 0055 HIS C
C A 0054 HIS C 3.666 C A 0055 HIS CB
C A 0054 HIS CE1 3.163 C A 0056 HIS CE1
C A 0055 HIS CA 3.794 C A 0056 HIS CA
C A 0055 HIS C 2.418 C A 0056 HIS CA
C A 0055 HIS C 3.324 C A 0056 HIS C
C A 0055 HIS C 3.575 C A 0056 HIS CB
C A 0055 HIS C 3.665 C A 0056 HIS CG
C A 0055 HIS C 3.795 C A 0056 HIS CD2
C A 0055 HIS CD2 3.655 C A 0056 HIS C
CHARGE_ATTR 2.00 12.00 57
H A 0004 ASP OD1 9.426 H A 0005 LYS NZ
H A 0004 ASP OD2 8.527 H A 0005 LYS NZ
H A 0004 ASP OD1 11.53 C A 0043 LYS NZ
H A 0004 ASP OD2 10.30 C A 0043 LYS NZ
H A 0011 GLU OE1 9.251 H A 0014 ARG NH1
H A 0011 GLU OE1 7.625 H A 0014 ARG NH2
H A 0011 GLU OE2 10.33 H A 0014 ARG NH1
H A 0011 GLU OE2 8.628 H A 0014 ARG NH2
H A 0011 GLU OE1 10.83 H A 0015 LYS NZ
H A 0011 GLU OE2 9.118 H A 0015 LYS NZ
H A 0019 GLU OE1 3.095 H A 0015 LYS NZ
H A 0019 GLU OE2 2.923 H A 0015 LYS NZ
H A 0019 GLU OE1 10.40 H A 0017 LYS NZ
H A 0019 GLU OE2 11.38 H A 0017 LYS NZ
H A 0019 GLU OE1 11.81 C A 0020 LYS NZ
H A 0019 GLU OE2 11.59 C A 0020 LYS NZ
H A 0028 GLU OE1 4.252 H A 0025 LYS NZ
H A 0028 GLU OE2 2.907 H A 0025 LYS NZ
H A 0031 GLU OE1 10.18 H A 0025 LYS NZ
H A 0031 GLU OE2 10.78 H A 0025 LYS NZ
H A 0031 GLU OE1 10.06 C A 0054 HIS ND1
H A 0031 GLU OE1 8.497 C A 0054 HIS NE2
H A 0031 GLU OE2 8.494 C A 0054 HIS ND1
H A 0031 GLU OE2 6.706 C A 0054 HIS NE2
H A 0031 GLU OE2 11.80 C A 0056 HIS ND1
H A 0031 GLU OE2 11.50 C A 0056 HIS NE2
H A 0039 GLU OE1 9.008 H A 0005 LYS NZ
H A 0039 GLU OE2 10.33 H A 0005 LYS NZ
H A 0039 GLU OE2 10.50 H A 0037 LYS NZ
H A 0039 GLU OE1 11.15 C A 0041 LYS NZ
H A 0039 GLU OE2 10.29 C A 0041 LYS NZ
C A 0042 GLU OE1 11.80 H A 0005 LYS NZ
C A 0042 GLU OE2 10.03 H A 0005 LYS NZ
C A 0042 GLU OE1 5.548 C A 0043 LYS NZ
C A 0042 GLU OE2 7.258 C A 0043 LYS NZ
C A 0042 GLU OE1 9.818 C A 0046 LYS NZ
C A 0042 GLU OE2 10.49 C A 0046 LYS NZ
C A 0047 GLU OE1 3.959 H A 0037 LYS NZ
C A 0047 GLU OE2 5.809 H A 0037 LYS NZ
C A 0047 GLU OE1 5.159 C A 0041 LYS NZ
C A 0047 GLU OE2 3.021 C A 0041 LYS NZ
C A 0047 GLU OE1 9.867 C A 0046 LYS NZ
C A 0047 GLU OE2 8.109 C A 0046 LYS NZ
C A 0053 GLU OE1 10.50 H A 0014 ARG NH1
C A 0053 GLU OE1 11.63 H A 0014 ARG NH2
C A 0053 GLU OE1 3.670 H A 0037 LYS NZ
C A 0053 GLU OE2 2.773 H A 0037 LYS NZ
C A 0053 GLU OE2 11.46 C A 0041 LYS NZ
C A 0053 GLU OE1 9.872 C A 0054 HIS ND1
C A 0053 GLU OE1 11.27 C A 0054 HIS NE2
C A 0053 GLU OE2 8.774 C A 0054 HIS ND1
C A 0053 GLU OE2 10.26 C A 0054 HIS NE2
C A 0053 GLU OE1 10.01 C A 0055 HIS ND1
C A 0053 GLU OE2 9.889 C A 0055 HIS ND1
C A 0053 GLU OE1 10.72 C A 0056 HIS NE2
C A 0053 GLU OE2 11.42 C A 0056 HIS ND1
C A 0053 GLU OE2 9.418 C A 0056 HIS NE2
CHARGE_REPU 2.00 12.00 53
H A 0004 ASP OD1 9.229 H A 0011 GLU OE1
H A 0004 ASP OD1 10.40 H A 0011 GLU OE2
H A 0004 ASP OD2 10.92 H A 0011 GLU OE1
H A 0004 ASP OD1 8.541 C A 0042 GLU OE1
H A 0004 ASP OD1 7.241 C A 0042 GLU OE2
H A 0004 ASP OD2 6.629 C A 0042 GLU OE1
H A 0004 ASP OD2 5.274 C A 0042 GLU OE2
H A 0011 GLU OE2 10.73 H A 0019 GLU OE1
H A 0011 GLU OE2 11.83 H A 0019 GLU OE2
H A 0014 ARG NH2 11.96 H A 0015 LYS NZ
H A 0014 ARG NH1 6.322 H A 0017 LYS NZ
H A 0014 ARG NH2 7.447 H A 0017 LYS NZ
H A 0014 ARG NH1 9.198 C A 0055 HIS ND1
H A 0014 ARG NH1 9.538 C A 0055 HIS NE2
H A 0014 ARG NH2 11.45 C A 0055 HIS ND1
H A 0014 ARG NH2 11.78 C A 0055 HIS NE2
H A 0015 LYS NZ 11.29 H A 0017 LYS NZ
H A 0017 LYS NZ 9.745 C A 0055 HIS ND1
H A 0017 LYS NZ 8.662 C A 0055 HIS NE2
H A 0028 GLU OE1 6.979 H A 0031 GLU OE1
H A 0028 GLU OE1 8.208 H A 0031 GLU OE2
H A 0028 GLU OE2 7.291 H A 0031 GLU OE1
H A 0028 GLU OE2 8.013 H A 0031 GLU OE2
H A 0037 LYS NZ 8.759 C A 0041 LYS NZ
H A 0037 LYS NZ 11.97 C A 0046 LYS NZ
H A 0037 LYS NZ 10.77 C A 0054 HIS ND1
H A 0037 LYS NZ 11.98 C A 0054 HIS NE2
H A 0037 LYS NZ 11.61 C A 0056 HIS NE2
H A 0039 GLU OE1 11.98 C A 0042 GLU OE1
H A 0039 GLU OE1 10.61 C A 0042 GLU OE2
H A 0039 GLU OE2 11.58 C A 0042 GLU OE2
H A 0039 GLU OE1 11.29 C A 0047 GLU OE1
H A 0039 GLU OE1 10.92 C A 0047 GLU OE2
H A 0039 GLU OE2 9.713 C A 0047 GLU OE1
H A 0039 GLU OE2 9.628 C A 0047 GLU OE2
C A 0041 LYS NZ 6.544 C A 0046 LYS NZ
C A 0043 LYS NZ 9.298 C A 0046 LYS NZ
C A 0047 GLU OE1 7.583 C A 0053 GLU OE1
C A 0047 GLU OE1 6.549 C A 0053 GLU OE2
C A 0047 GLU OE2 9.259 C A 0053 GLU OE1
C A 0047 GLU OE2 8.496 C A 0053 GLU OE2
C A 0054 HIS ND1 8.195 C A 0055 HIS ND1
C A 0054 HIS ND1 9.354 C A 0055 HIS NE2
C A 0054 HIS NE2 10.07 C A 0055 HIS ND1
C A 0054 HIS NE2 10.99 C A 0055 HIS NE2
C A 0054 HIS ND1 4.089 C A 0056 HIS ND1
C A 0054 HIS ND1 3.054 C A 0056 HIS NE2
C A 0054 HIS NE2 5.337 C A 0056 HIS ND1
C A 0054 HIS NE2 4.917 C A 0056 HIS NE2
C A 0055 HIS ND1 7.169 C A 0056 HIS ND1
C A 0055 HIS ND1 7.005 C A 0056 HIS NE2
C A 0055 HIS NE2 7.722 C A 0056 HIS ND1
C A 0055 HIS NE2 8.162 C A 0056 HIS NE2
HB_MM 2.00 3.20 108
C A 0002 VAL N 2.240 C A 0001 MET O
C A 0003 TYR N 2.244 C A 0002 VAL O
H A 0004 ASP N 2.249 C A 0003 TYR O
H A 0005 LYS N 2.245 H A 0004 ASP O
H A 0006 ILE N 2.857 H A 0004 ASP O
H A 0006 ILE N 2.233 H A 0005 LYS O
H A 0007 ALA N 2.681 H A 0004 ASP O
H A 0007 ALA N 2.238 H A 0006 ILE O
H A 0008 ALA N 2.662 H A 0004 ASP O
H A 0008 ALA N 2.257 H A 0007 ALA O
H A 0009 GLN N 2.230 H A 0008 ALA O
H A 0010 GLY N 3.145 H A 0006 ILE O
H A 0010 GLY N 2.934 H A 0007 ALA O
H A 0010 GLY N 2.239 H A 0009 GLN O
H A 0011 GLU N 2.875 H A 0007 ALA O
H A 0011 GLU N 2.245 H A 0010 GLY O
H A 0012 VAL N 2.962 H A 0009 GLN O
H A 0012 VAL N 2.243 H A 0011 GLU O
H A 0013 VAL N 2.239 H A 0012 VAL O
H A 0014 ARG N 3.189 H A 0010 GLY O
H A 0014 ARG N 3.056 H A 0011 GLU O
H A 0014 ARG N 2.240 H A 0013 VAL O
H A 0015 LYS N 2.729 H A 0011 GLU O
H A 0015 LYS N 3.149 H A 0013 VAL O
H A 0015 LYS N 2.239 H A 0014 ARG O
H A 0016 LEU N 2.966 H A 0012 VAL O
H A 0016 LEU N 2.875 H A 0013 VAL O
H A 0016 LEU N 2.243 H A 0015 LYS O
H A 0017 LYS N 2.750 H A 0013 VAL O
H A 0017 LYS N 2.242 H A 0016 LEU O
H A 0018 ALA N 3.095 H A 0014 ARG O
H A 0018 ALA N 3.162 H A 0015 LYS O
H A 0018 ALA N 3.096 H A 0016 LEU O
H A 0018 ALA N 2.242 H A 0017 LYS O
H A 0019 GLU N 2.803 H A 0015 LYS O
H A 0019 GLU N 3.037 H A 0016 LEU O
H A 0019 GLU N 2.245 H A 0018 ALA O
C A 0020 LYS N 2.702 H A 0016 LEU O
C A 0020 LYS N 2.250 H A 0019 GLU O
C A 0021 ALA N 3.091 H A 0016 LEU O
C A 0021 ALA N 2.244 C A 0020 LYS O
C A 0022 PRO N 2.241 C A 0021 ALA O
H A 0023 LYS N 2.245 C A 0022 PRO O
H A 0024 ALA N 2.246 H A 0023 LYS O
H A 0025 LYS N 3.174 C A 0022 PRO O
H A 0025 LYS N 3.097 H A 0023 LYS O
H A 0025 LYS N 2.234 H A 0024 ALA O
H A 0026 VAL N 3.095 H A 0023 LYS O
H A 0026 VAL N 2.239 H A 0025 LYS O
H A 0027 THR N 2.816 H A 0023 LYS O
H A 0027 THR N 2.241 H A 0026 VAL O
H A 0028 GLU N 3.101 H A 0024 ALA O
H A 0028 GLU N 2.991 H A 0025 LYS O
H A 0028 GLU N 2.239 H A 0027 THR O
H A 0029 ALA N 2.945 H A 0025 LYS O
H A 0029 ALA N 3.178 H A 0027 THR O
H A 0029 ALA N 2.242 H A 0028 GLU O
H A 0030 VAL N 2.950 H A 0026 VAL O
H A 0030 VAL N 2.848 H A 0027 THR O
H A 0030 VAL N 2.243 H A 0029 ALA O
H A 0031 GLU N 2.927 H A 0027 THR O
H A 0031 GLU N 3.167 H A 0028 GLU O
H A 0031 GLU N 2.934 H A 0029 ALA O
H A 0031 GLU N 2.239 H A 0030 VAL O
H A 0032 CYS N 3.194 H A 0028 GLU O
H A 0032 CYS N 2.886 H A 0029 ALA O
H A 0032 CYS N 2.237 H A 0031 GLU O
H A 0033 LEU N 2.765 H A 0029 ALA O
H A 0033 LEU N 2.882 H A 0031 GLU O
H A 0033 LEU N 2.229 H A 0032 CYS O
H A 0034 LEU N 3.103 H A 0030 VAL O
H A 0034 LEU N 2.882 H A 0031 GLU O
H A 0034 LEU N 2.239 H A 0033 LEU O
H A 0035 SER N 2.665 H A 0031 GLU O
H A 0035 SER N 2.234 H A 0034 LEU O
H A 0036 LEU N 2.685 H A 0032 CYS O
H A 0036 LEU N 2.238 H A 0035 SER O
H A 0037 LYS N 3.003 H A 0033 LEU O
H A 0037 LYS N 2.229 H A 0036 LEU O
H A 0038 ALA N 3.034 H A 0035 SER O
H A 0038 ALA N 3.146 H A 0036 LEU O
H A 0038 ALA N 2.248 H A 0037 LYS O
H A 0039 GLU N 3.130 H A 0035 SER O
H A 0039 GLU N 2.804 H A 0036 LEU O
H A 0039 GLU N 2.245 H A 0038 ALA O
H A 0040 TYR N 2.686 H A 0036 LEU O
H A 0040 TYR N 2.969 H A 0037 LYS O
H A 0040 TYR N 2.252 H A 0039 GLU O
C A 0041 LYS N 3.072 H A 0037 LYS O
C A 0041 LYS N 2.257 H A 0040 TYR O
C A 0042 GLU N 2.687 H A 0040 TYR O
C A 0042 GLU N 2.242 C A 0041 LYS O
C A 0043 LYS N 2.241 C A 0042 GLU O
C A 0044 THR N 2.239 C A 0043 LYS O
C A 0045 GLY N 2.239 C A 0044 THR O
C A 0046 LYS N 2.250 C A 0045 GLY O
C A 0047 GLU N 2.241 C A 0046 LYS O
C A 0048 TYR N 2.268 C A 0047 GLU O
C A 0049 VAL N 2.250 C A 0048 TYR O
C A 0050 PRO N 2.246 C A 0049 VAL O
C A 0051 GLY N 2.241 C A 0050 PRO O
C A 0052 LEU N 2.240 C A 0051 GLY O
C A 0053 GLU N 2.247 C A 0052 LEU O
C A 0054 HIS N 2.990 C A 0052 LEU O
C A 0054 HIS N 2.249 C A 0053 GLU O
C A 0055 HIS N 3.085 C A 0052 LEU O
C A 0055 HIS N 2.245 C A 0054 HIS O
C A 0056 HIS N 2.243 C A 0055 HIS O
HB_MS 2.00 3.20 5
C A 0002 VAL O 3.197 H A 0040 TYR OH
H A 0029 ALA O 3.143 H A 0009 GLN NE2
H A 0031 GLU O 2.971 H A 0035 SER OG
C A 0047 GLU O 3.105 H A 0037 LYS NZ
C A 0054 HIS O 3.164 C A 0056 HIS NE2
AROMATIC 0.00 8.00 1
C A 0003 TYR 3.771 C A 0048 TYR