Complet list of 1qkh con file
Complete list of 1qkh.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 439
C A 0008 GLY C 2.439 C A 0009 VAL CA
C A 0008 GLY C 3.180 C A 0009 VAL C
C A 0008 GLY C 3.640 C A 0009 VAL CB
C A 0009 VAL C 2.436 C A 0010 PHE CA
C A 0009 VAL C 3.434 C A 0010 PHE C
C A 0009 VAL C 3.469 C A 0010 PHE CB
C A 0010 PHE C 2.430 C A 0011 VAL CA
C A 0010 PHE C 3.338 C A 0011 VAL C
C A 0010 PHE C 3.523 C A 0011 VAL CB
C A 0010 PHE C 3.675 C A 0011 VAL CG2
C A 0010 PHE CZ 3.730 C A 0011 VAL C
C A 0010 PHE CE1 3.486 C A 0012 ASP CA
C A 0010 PHE CZ 3.149 C A 0012 ASP CA
C A 0010 PHE CE1 3.536 C A 0035 SER CB
C A 0010 PHE CB 3.539 C A 0037 ARG CG
C A 0010 PHE CD1 3.302 C A 0037 ARG CG
C A 0011 VAL C 2.430 C A 0012 ASP CA
C A 0011 VAL C 2.896 C A 0012 ASP C
C A 0011 VAL C 3.639 C A 0012 ASP CB
C A 0011 VAL CG2 3.690 C A 0039 THR CB
C A 0011 VAL CG1 3.174 C A 0041 VAL CG1
C A 0011 VAL CG1 3.594 C A 0041 VAL CG2
C A 0012 ASP C 2.428 H A 0013 ASP CA
C A 0012 ASP C 3.057 H A 0013 ASP C
C A 0012 ASP C 3.638 H A 0013 ASP CB
C A 0012 ASP CG 3.695 H A 0014 HIS CB
C A 0012 ASP CB 3.737 H A 0015 LEU CD2
C A 0012 ASP CB 3.431 C A 0033 THR CG2
C A 0012 ASP CG 2.963 C A 0033 THR CG2
H A 0013 ASP C 2.439 H A 0014 HIS CA
H A 0013 ASP C 3.087 H A 0014 HIS C
H A 0013 ASP C 3.641 H A 0014 HIS CB
H A 0013 ASP CA 3.698 H A 0016 LEU CD1
H A 0014 HIS C 2.435 H A 0015 LEU CA
H A 0014 HIS C 3.101 H A 0015 LEU C
H A 0014 HIS C 3.646 H A 0015 LEU CB
H A 0015 LEU C 2.437 H A 0016 LEU CA
H A 0015 LEU C 3.000 H A 0016 LEU C
H A 0015 LEU C 3.643 H A 0016 LEU CB
H A 0015 LEU CD1 3.676 H A 0016 LEU CA
H A 0015 LEU CD1 3.740 H A 0019 VAL CB
H A 0015 LEU CD1 3.736 H A 0019 VAL CG1
H A 0015 LEU CA 3.258 E A 0031 ILE CG2
H A 0015 LEU C 3.731 E A 0031 ILE CG2
H A 0015 LEU CB 3.692 E A 0031 ILE CG2
H A 0015 LEU CB 3.770 E A 0049 ILE CG2
H A 0015 LEU CD1 2.918 E A 0049 ILE CD1
H A 0016 LEU C 2.441 H A 0017 GLU CA
H A 0016 LEU C 2.933 H A 0017 GLU C
H A 0016 LEU C 3.660 H A 0017 GLU CB
H A 0016 LEU CA 3.333 H A 0019 VAL CG1
H A 0016 LEU C 3.443 H A 0020 LEU CD2
H A 0017 GLU C 2.441 H A 0018 LYS CA
H A 0017 GLU C 3.401 H A 0018 LYS C
H A 0017 GLU C 3.518 H A 0018 LYS CB
H A 0017 GLU CG 3.717 H A 0018 LYS CG
H A 0017 GLU CA 3.509 H A 0020 LEU CD2
H A 0018 LYS C 2.443 H A 0019 VAL CA
H A 0018 LYS C 3.131 H A 0019 VAL C
H A 0018 LYS C 3.654 H A 0019 VAL CB
H A 0018 LYS CB 3.612 E A 0031 ILE CG2
H A 0019 VAL C 2.429 H A 0020 LEU CA
H A 0019 VAL C 2.963 H A 0020 LEU C
H A 0019 VAL C 3.674 H A 0020 LEU CB
H A 0019 VAL CA 3.648 E A 0031 ILE CD1
H A 0019 VAL CB 3.629 E A 0031 ILE CD1
H A 0019 VAL CG2 3.395 E A 0031 ILE CD1
H A 0019 VAL CG2 3.491 E A 0047 HIS CG
H A 0019 VAL CG2 3.536 E A 0047 HIS CD2
H A 0019 VAL CG2 3.704 E A 0049 ILE CD1
H A 0020 LEU C 2.420 H A 0021 GLU CA
H A 0020 LEU C 3.058 H A 0021 GLU C
H A 0020 LEU C 3.632 H A 0021 GLU CB
H A 0021 GLU C 2.437 H A 0022 LEU CA
H A 0021 GLU C 3.130 H A 0022 LEU C
H A 0021 GLU C 3.641 H A 0022 LEU CB
H A 0021 GLU C 3.643 H A 0022 LEU CD2
H A 0021 GLU CD 3.527 H A 0022 LEU CD2
H A 0022 LEU C 2.436 H A 0023 ASN CA
H A 0022 LEU C 3.180 H A 0023 ASN C
H A 0022 LEU C 3.626 H A 0023 ASN CB
H A 0022 LEU CA 3.779 C A 0027 GLU CB
H A 0022 LEU CD1 3.725 C A 0027 GLU CB
H A 0022 LEU CD2 3.331 C A 0027 GLU CB
H A 0022 LEU CD2 3.427 C A 0027 GLU CD
H A 0022 LEU CD1 3.674 C A 0029 ARG CB
H A 0022 LEU CB 3.208 E A 0047 HIS CE1
H A 0023 ASN C 2.436 H A 0024 ALA CA
H A 0023 ASN C 3.188 H A 0024 ALA C
H A 0023 ASN C 3.613 H A 0024 ALA CB
H A 0023 ASN CG 3.516 H A 0043 GLU CD
H A 0024 ALA C 2.426 H A 0025 LYS CA
H A 0024 ALA C 3.362 H A 0025 LYS C
H A 0024 ALA C 3.522 H A 0025 LYS CB
H A 0025 LYS C 2.436 C A 0026 GLY CA
H A 0025 LYS C 3.347 C A 0026 GLY C
H A 0025 LYS CG 3.455 C A 0027 GLU CG
H A 0025 LYS CD 3.410 C A 0027 GLU CG
H A 0025 LYS CE 3.511 C A 0027 GLU CG
C A 0026 GLY C 2.437 C A 0027 GLU CA
C A 0026 GLY C 3.138 C A 0027 GLU C
C A 0026 GLY C 3.642 C A 0027 GLU CB
C A 0027 GLU C 2.434 C A 0028 LYS CA
C A 0027 GLU C 3.383 C A 0028 LYS C
C A 0027 GLU C 3.507 C A 0028 LYS CB
C A 0028 LYS C 2.438 C A 0029 ARG CA
C A 0028 LYS C 3.358 C A 0029 ARG C
C A 0028 LYS C 3.532 C A 0029 ARG CB
C A 0029 ARG C 2.425 E A 0030 LEU CA
C A 0029 ARG C 3.517 E A 0030 LEU C
C A 0029 ARG C 3.364 E A 0030 LEU CB
C A 0029 ARG CZ 3.504 E A 0030 LEU CD2
E A 0030 LEU C 2.439 E A 0031 ILE CA
E A 0030 LEU C 3.447 E A 0031 ILE C
E A 0030 LEU C 3.463 E A 0031 ILE CB
E A 0030 LEU C 3.545 E A 0031 ILE CG1
E A 0030 LEU CD1 3.564 E A 0032 LYS CD
E A 0030 LEU CD1 3.410 E A 0032 LYS CE
E A 0030 LEU CA 3.747 E A 0048 THR C
E A 0030 LEU CD1 3.609 E A 0059 PRO CB
E A 0031 ILE C 2.436 E A 0032 LYS CA
E A 0031 ILE C 3.179 E A 0032 LYS C
E A 0031 ILE C 3.632 E A 0032 LYS CB
E A 0031 ILE CD1 3.586 E A 0047 HIS CB
E A 0031 ILE CB 3.550 E A 0049 ILE CG1
E A 0031 ILE CB 3.481 E A 0049 ILE CD1
E A 0031 ILE CD1 3.467 E A 0049 ILE CG1
E A 0031 ILE CD1 3.396 E A 0049 ILE CD1
E A 0032 LYS C 2.446 C A 0033 THR CA
E A 0032 LYS C 3.632 C A 0033 THR C
E A 0032 LYS C 3.253 C A 0033 THR CB
E A 0032 LYS C 3.744 C A 0034 TRP CH2
E A 0032 LYS CB 3.071 C A 0034 TRP CZ2
E A 0032 LYS CB 3.272 C A 0034 TRP CH2
E A 0032 LYS CD 3.413 E A 0050 ALA CB
C A 0033 THR CA 3.779 C A 0034 TRP CD2
C A 0033 THR CA 3.661 C A 0034 TRP CE3
C A 0033 THR C 2.448 C A 0034 TRP CA
C A 0033 THR C 3.668 C A 0034 TRP C
C A 0033 THR C 3.246 C A 0034 TRP CB
C A 0033 THR C 3.035 C A 0034 TRP CG
C A 0033 THR C 3.663 C A 0034 TRP CD1
C A 0033 THR C 3.148 C A 0034 TRP CD2
C A 0033 THR C 3.480 C A 0034 TRP CE3
C A 0033 THR CG2 3.607 C A 0038 SER CB
C A 0033 THR C 3.536 E A 0052 TYR CB
C A 0034 TRP C 2.431 C A 0035 SER CA
C A 0034 TRP C 3.210 C A 0035 SER C
C A 0034 TRP C 3.608 C A 0035 SER CB
C A 0034 TRP CA 3.376 E A 0052 TYR CB
C A 0034 TRP CA 3.408 E A 0052 TYR CG
C A 0034 TRP CA 3.745 E A 0052 TYR CD2
C A 0034 TRP C 3.650 E A 0052 TYR CB
C A 0034 TRP C 3.606 E A 0052 TYR CG
C A 0034 TRP C 3.391 E A 0052 TYR CD2
C A 0034 TRP CD1 3.244 E A 0057 HIS CD2
C A 0035 SER C 2.451 C A 0036 ARG CA
C A 0035 SER C 3.720 C A 0036 ARG C
C A 0035 SER C 2.994 C A 0036 ARG CB
C A 0035 SER C 3.640 C A 0036 ARG CG
C A 0035 SER C 3.368 E A 0052 TYR CD2
C A 0036 ARG C 2.443 C A 0037 ARG CA
C A 0036 ARG C 3.364 C A 0037 ARG C
C A 0036 ARG C 3.538 C A 0037 ARG CB
C A 0036 ARG CB 3.535 C A 0037 ARG CZ
C A 0037 ARG C 2.459 C A 0038 SER CA
C A 0037 ARG C 2.945 C A 0038 SER C
C A 0037 ARG C 3.632 C A 0038 SER CB
C A 0038 SER C 2.444 C A 0039 THR CA
C A 0038 SER C 3.529 C A 0039 THR C
C A 0038 SER C 3.399 C A 0039 THR CB
C A 0039 THR C 2.439 C A 0040 ILE CA
C A 0039 THR C 3.185 C A 0040 ILE C
C A 0039 THR C 3.632 C A 0040 ILE CB
C A 0039 THR CG2 3.512 C A 0069 HIS C
C A 0039 THR CA 3.720 C A 0070 LYS CA
C A 0040 ILE C 2.456 C A 0041 VAL CA
C A 0040 ILE C 3.616 C A 0041 VAL C
C A 0040 ILE C 3.319 C A 0041 VAL CB
C A 0040 ILE C 3.757 C A 0041 VAL CG1
C A 0040 ILE C 3.376 C A 0041 VAL CG2
C A 0040 ILE CA 3.619 H A 0044 MET CE
C A 0040 ILE CG1 3.652 H A 0044 MET CE
C A 0040 ILE CG2 3.617 H A 0044 MET CB
C A 0040 ILE CG1 3.582 E A 0062 ILE CG1
C A 0040 ILE CG1 3.769 E A 0062 ILE CD1
C A 0040 ILE CG2 3.694 E A 0062 ILE CB
C A 0040 ILE CG2 3.202 E A 0062 ILE CG1
C A 0040 ILE CG2 3.229 E A 0062 ILE CG2
C A 0040 ILE CG2 3.547 E A 0062 ILE CD1
C A 0040 ILE C 3.298 C A 0067 VAL CG2
C A 0040 ILE CB 3.580 C A 0067 VAL CG2
C A 0040 ILE CG2 3.600 C A 0067 VAL CA
C A 0040 ILE CG2 3.280 C A 0067 VAL CB
C A 0040 ILE CG2 3.228 C A 0067 VAL CG2
C A 0040 ILE CD1 3.114 C A 0070 LYS CA
C A 0040 ILE CD1 2.891 C A 0070 LYS C
C A 0040 ILE CB 3.754 C A 0074 PHE CZ
C A 0040 ILE CG1 3.400 C A 0074 PHE CE1
C A 0040 ILE CG1 3.283 C A 0074 PHE CZ
C A 0040 ILE CD1 2.924 C A 0074 PHE CE1
C A 0040 ILE CD1 3.376 C A 0074 PHE CZ
C A 0041 VAL CA 2.858 H A 0042 PRO CD
C A 0041 VAL C 2.429 H A 0042 PRO CA
C A 0041 VAL C 3.051 H A 0042 PRO C
C A 0041 VAL C 3.607 H A 0042 PRO CB
C A 0041 VAL C 3.598 H A 0042 PRO CG
C A 0041 VAL C 2.491 H A 0042 PRO CD
C A 0041 VAL CB 3.018 H A 0042 PRO CD
C A 0041 VAL CG1 3.404 H A 0042 PRO CD
C A 0041 VAL CA 3.447 C A 0067 VAL CG2
C A 0041 VAL C 3.429 C A 0067 VAL CG2
H A 0042 PRO C 2.435 H A 0043 GLU CA
H A 0042 PRO C 3.109 H A 0043 GLU C
H A 0042 PRO C 3.646 H A 0043 GLU CB
H A 0043 GLU C 2.443 H A 0044 MET CA
H A 0043 GLU C 3.363 H A 0044 MET C
H A 0043 GLU C 3.553 H A 0044 MET CB
H A 0044 MET C 2.461 C A 0045 VAL CA
H A 0044 MET C 3.076 C A 0045 VAL C
H A 0044 MET C 3.661 C A 0045 VAL CB
H A 0044 MET CA 3.557 E A 0047 HIS CD2
H A 0044 MET C 3.640 E A 0047 HIS CD2
H A 0044 MET CG 3.518 E A 0049 ILE CG1
H A 0044 MET CG 3.048 E A 0049 ILE CD1
H A 0044 MET CE 3.197 E A 0049 ILE CB
H A 0044 MET CE 3.469 E A 0049 ILE CG1
H A 0044 MET CE 3.483 E A 0049 ILE CG2
H A 0044 MET CE 3.307 E A 0049 ILE CD1
H A 0044 MET C 3.672 E A 0062 ILE CB
H A 0044 MET CB 3.747 E A 0062 ILE CB
H A 0044 MET CB 3.335 E A 0062 ILE CD1
H A 0044 MET CG 3.535 E A 0062 ILE CD1
H A 0044 MET CE 3.169 E A 0062 ILE CD1
C A 0045 VAL C 2.429 C A 0046 GLY CA
C A 0045 VAL C 3.637 C A 0046 GLY C
C A 0045 VAL CA 3.745 E A 0062 ILE C
C A 0045 VAL C 3.766 E A 0062 ILE C
C A 0045 VAL CA 3.552 C A 0063 THR C
C A 0045 VAL CG1 3.353 C A 0063 THR C
C A 0045 VAL CG1 3.455 C A 0064 GLU CA
C A 0045 VAL CG1 3.538 C A 0064 GLU CB
C A 0045 VAL CG1 3.565 C A 0064 GLU CD
C A 0045 VAL CG2 3.752 C A 0064 GLU CA
C A 0046 GLY CA 3.665 E A 0047 HIS CD2
C A 0046 GLY C 2.438 E A 0047 HIS CA
C A 0046 GLY C 3.639 E A 0047 HIS C
C A 0046 GLY C 3.261 E A 0047 HIS CB
C A 0046 GLY C 3.015 E A 0047 HIS CG
C A 0046 GLY C 3.094 E A 0047 HIS CD2
C A 0046 GLY CA 3.458 E A 0061 TYR CE1
C A 0046 GLY CA 3.719 E A 0061 TYR CZ
C A 0046 GLY C 3.525 E A 0061 TYR CE1
C A 0046 GLY C 3.462 E A 0061 TYR CZ
E A 0047 HIS C 2.440 E A 0048 THR CA
E A 0047 HIS C 3.273 E A 0048 THR C
E A 0047 HIS C 3.578 E A 0048 THR CB
E A 0047 HIS C 3.741 E A 0061 TYR CA
E A 0048 THR C 2.410 E A 0049 ILE CA
E A 0048 THR C 3.204 E A 0049 ILE C
E A 0048 THR C 3.580 E A 0049 ILE CB
E A 0048 THR C 3.775 E A 0049 ILE CG1
E A 0048 THR CG2 3.560 E A 0059 PRO C
E A 0048 THR CA 3.512 E A 0060 VAL C
E A 0048 THR CG2 3.668 E A 0060 VAL C
E A 0048 THR CA 3.441 E A 0061 TYR CA
E A 0048 THR CG2 3.495 E A 0061 TYR CA
E A 0048 THR CG2 3.403 E A 0061 TYR CB
E A 0049 ILE C 2.420 E A 0050 ALA CA
E A 0049 ILE C 3.083 E A 0050 ALA C
E A 0049 ILE C 3.628 E A 0050 ALA CB
E A 0049 ILE C 3.526 E A 0059 PRO CA
E A 0050 ALA C 2.438 E A 0051 VAL CA
E A 0050 ALA C 2.999 E A 0051 VAL C
E A 0050 ALA C 3.663 E A 0051 VAL CB
E A 0050 ALA CA 3.708 E A 0057 HIS C
E A 0050 ALA C 3.787 E A 0057 HIS CA
E A 0050 ALA C 3.697 E A 0057 HIS C
E A 0050 ALA CB 3.484 E A 0057 HIS C
E A 0050 ALA CB 3.348 E A 0057 HIS CB
E A 0050 ALA CA 3.093 E A 0058 VAL C
E A 0050 ALA C 3.732 E A 0058 VAL C
E A 0050 ALA CB 3.799 E A 0058 VAL C
E A 0050 ALA CA 3.229 E A 0059 PRO CA
E A 0050 ALA CB 3.673 E A 0059 PRO CA
E A 0051 VAL C 2.416 E A 0052 TYR CA
E A 0051 VAL C 3.096 E A 0052 TYR C
E A 0051 VAL C 3.625 E A 0052 TYR CB
E A 0051 VAL CG1 3.717 E A 0060 VAL CG2
E A 0051 VAL CG2 3.576 C A 0071 LEU CB
E A 0052 TYR C 2.436 C A 0053 ASN CA
E A 0052 TYR C 3.137 C A 0053 ASN C
E A 0052 TYR C 3.648 C A 0053 ASN CB
E A 0052 TYR CE2 3.673 C A 0054 GLY CA
E A 0052 TYR CE2 3.236 C A 0054 GLY C
E A 0052 TYR CZ 3.370 C A 0054 GLY C
E A 0052 TYR CE1 3.630 C A 0055 LYS CA
E A 0052 TYR CE1 3.207 C A 0055 LYS C
E A 0052 TYR CZ 3.471 C A 0055 LYS CA
E A 0052 TYR CZ 3.645 C A 0055 LYS C
E A 0052 TYR CD1 3.661 C A 0056 GLN C
E A 0052 TYR CD1 3.193 E A 0057 HIS CD2
E A 0052 TYR CE1 3.705 E A 0057 HIS CD2
C A 0053 ASN C 2.438 C A 0054 GLY CA
C A 0053 ASN C 3.479 C A 0054 GLY C
C A 0053 ASN CB 3.461 C A 0071 LEU CD2
C A 0054 GLY C 2.440 C A 0055 LYS CA
C A 0054 GLY C 3.640 C A 0055 LYS C
C A 0054 GLY C 3.274 C A 0055 LYS CB
C A 0054 GLY C 3.542 C A 0055 LYS CG
C A 0055 LYS C 2.433 C A 0056 GLN CA
C A 0055 LYS C 3.598 C A 0056 GLN C
C A 0055 LYS C 3.278 C A 0056 GLN CB
C A 0055 LYS CE 3.684 C A 0056 GLN CB
C A 0056 GLN C 2.442 E A 0057 HIS CA
C A 0056 GLN C 3.312 E A 0057 HIS C
C A 0056 GLN C 3.587 E A 0057 HIS CB
C A 0056 GLN C 3.609 E A 0057 HIS CG
C A 0056 GLN CG 3.280 E A 0058 VAL CG2
C A 0056 GLN CD 3.384 E A 0058 VAL CG2
E A 0057 HIS C 2.437 E A 0058 VAL CA
E A 0057 HIS C 3.258 E A 0058 VAL C
E A 0057 HIS C 3.598 E A 0058 VAL CB
E A 0057 HIS C 3.776 E A 0058 VAL CG2
E A 0057 HIS C 3.691 E A 0059 PRO CD
E A 0058 VAL CA 2.899 E A 0059 PRO CD
E A 0058 VAL C 2.456 E A 0059 PRO CA
E A 0058 VAL C 3.040 E A 0059 PRO C
E A 0058 VAL C 3.646 E A 0059 PRO CB
E A 0058 VAL C 3.622 E A 0059 PRO CG
E A 0058 VAL C 2.502 E A 0059 PRO CD
E A 0058 VAL CG1 3.515 E A 0060 VAL CG1
E A 0059 PRO CA 3.798 E A 0060 VAL CA
E A 0059 PRO C 2.424 E A 0060 VAL CA
E A 0059 PRO C 3.281 E A 0060 VAL C
E A 0059 PRO C 3.592 E A 0060 VAL CB
E A 0060 VAL C 2.406 E A 0061 TYR CA
E A 0060 VAL C 3.029 E A 0061 TYR C
E A 0060 VAL C 3.647 E A 0061 TYR CB
E A 0060 VAL CG2 3.674 E A 0062 ILE CD1
E A 0060 VAL CB 3.585 C A 0074 PHE CB
E A 0060 VAL CB 3.635 C A 0074 PHE CG
E A 0060 VAL CG1 3.540 C A 0074 PHE CB
E A 0061 TYR C 2.415 E A 0062 ILE CA
E A 0061 TYR C 3.168 E A 0062 ILE C
E A 0061 TYR C 3.598 E A 0062 ILE CB
E A 0062 ILE C 2.426 C A 0063 THR CA
E A 0062 ILE C 3.287 C A 0063 THR C
E A 0062 ILE C 3.550 C A 0063 THR CB
E A 0062 ILE C 3.650 C A 0063 THR CG2
E A 0062 ILE CG2 3.654 C A 0067 VAL CB
E A 0062 ILE CA 3.580 C A 0074 PHE CE2
E A 0062 ILE CB 3.506 C A 0074 PHE CE2
E A 0062 ILE CG1 3.657 C A 0074 PHE CD2
E A 0062 ILE CG1 3.040 C A 0074 PHE CE2
E A 0062 ILE CG1 3.481 C A 0074 PHE CZ
E A 0062 ILE CG2 3.400 C A 0074 PHE CE2
C A 0063 THR C 2.413 C A 0064 GLU CA
C A 0063 THR C 3.239 C A 0064 GLU C
C A 0063 THR C 3.579 C A 0064 GLU CB
C A 0064 GLU C 2.444 C A 0065 ASN CA
C A 0064 GLU C 3.681 C A 0065 ASN C
C A 0064 GLU C 3.197 C A 0065 ASN CB
C A 0065 ASN C 2.442 C A 0066 MET CA
C A 0065 ASN C 3.461 C A 0066 MET C
C A 0065 ASN C 3.457 C A 0066 MET CB
C A 0065 ASN C 3.529 C A 0066 MET CG
C A 0066 MET C 2.459 C A 0067 VAL CA
C A 0066 MET C 3.076 C A 0067 VAL C
C A 0066 MET C 3.670 C A 0067 VAL CB
C A 0066 MET CA 3.602 C A 0074 PHE CE2
C A 0066 MET C 3.191 C A 0074 PHE CE2
C A 0066 MET C 3.157 C A 0074 PHE CZ
C A 0066 MET CB 3.204 C A 0074 PHE CD2
C A 0066 MET CB 2.867 C A 0074 PHE CE2
C A 0067 VAL C 2.439 C A 0068 GLY CA
C A 0067 VAL C 3.535 C A 0068 GLY C
C A 0067 VAL CA 3.482 C A 0074 PHE CZ
C A 0068 GLY CA 3.664 C A 0069 HIS CD2
C A 0068 GLY C 2.422 C A 0069 HIS CA
C A 0068 GLY C 3.511 C A 0069 HIS C
C A 0068 GLY C 3.383 C A 0069 HIS CB
C A 0068 GLY C 3.362 C A 0069 HIS CG
C A 0068 GLY C 2.973 C A 0069 HIS CD2
C A 0069 HIS C 2.452 C A 0070 LYS CA
C A 0069 HIS C 3.728 C A 0070 LYS C
C A 0069 HIS C 2.932 C A 0070 LYS CB
C A 0069 HIS C 3.146 C A 0070 LYS CG
C A 0069 HIS CB 3.714 C A 0073 GLU CG
C A 0069 HIS CG 3.150 C A 0073 GLU CG
C A 0069 HIS CD2 3.058 C A 0073 GLU CG
C A 0069 HIS CD2 3.364 C A 0073 GLU CD
C A 0069 HIS CE1 3.725 C A 0073 GLU CG
C A 0070 LYS C 2.465 C A 0071 LEU CA
C A 0070 LYS C 3.751 C A 0071 LEU C
C A 0070 LYS C 2.909 C A 0071 LEU CB
C A 0070 LYS CD 3.749 C A 0071 LEU CA
C A 0070 LYS CD 3.638 C A 0071 LEU CB
C A 0070 LYS CD 3.253 C A 0071 LEU CG
C A 0070 LYS CD 3.304 C A 0071 LEU CD2
C A 0070 LYS CE 3.476 C A 0071 LEU CD2
C A 0071 LEU C 2.454 C A 0072 GLY CA
C A 0071 LEU C 3.114 C A 0072 GLY C
C A 0071 LEU CA 3.365 C A 0074 PHE CD1
C A 0071 LEU C 3.565 C A 0074 PHE CD1
C A 0071 LEU CD1 3.735 C A 0075 ALA CB
C A 0072 GLY C 2.435 C A 0073 GLU CA
C A 0072 GLY C 3.196 C A 0073 GLU C
C A 0072 GLY C 3.614 C A 0073 GLU CB
C A 0073 GLU C 2.430 C A 0074 PHE CA
C A 0073 GLU C 3.397 C A 0074 PHE C
C A 0073 GLU C 3.498 C A 0074 PHE CB
C A 0073 GLU C 3.463 C A 0074 PHE CG
C A 0073 GLU C 3.586 C A 0074 PHE CD1
C A 0073 GLU CB 3.728 C A 0074 PHE CE1
C A 0074 PHE C 2.437 C A 0075 ALA CA
C A 0074 PHE C 3.607 C A 0075 ALA C
C A 0074 PHE C 3.275 C A 0075 ALA CB
C A 0074 PHE C 3.273 C A 0076 PRO CD
C A 0075 ALA CA 2.899 C A 0076 PRO CD
C A 0075 ALA C 2.436 C A 0076 PRO CA
C A 0075 ALA C 3.212 C A 0076 PRO C
C A 0075 ALA C 3.583 C A 0076 PRO CB
C A 0075 ALA C 3.638 C A 0076 PRO CG
C A 0075 ALA C 2.501 C A 0076 PRO CD
C A 0076 PRO C 2.437 C A 0077 THR CA
C A 0076 PRO C 3.558 C A 0077 THR C
C A 0076 PRO C 3.350 C A 0077 THR CB
C A 0077 THR C 2.437 C A 0078 ARG CA
C A 0077 THR C 3.286 C A 0078 ARG C
C A 0077 THR C 3.583 C A 0078 ARG CB
C A 0078 ARG C 2.441 C A 0079 THR CA
C A 0078 ARG C 3.061 C A 0079 THR C
C A 0078 ARG C 3.664 C A 0079 THR CB
C A 0078 ARG CB 3.786 C A 0080 TYR CD2
C A 0078 ARG CB 3.488 C A 0080 TYR CE2
C A 0079 THR C 2.439 C A 0080 TYR CA
C A 0079 THR C 3.373 C A 0080 TYR C
C A 0079 THR C 3.538 C A 0080 TYR CB
CHARGE_ATTR 2.00 12.00 72
C A 0012 ASP OD1 5.823 H A 0014 HIS ND1
C A 0012 ASP OD1 6.874 H A 0014 HIS NE2
C A 0012 ASP OD2 5.664 H A 0014 HIS ND1
C A 0012 ASP OD2 6.546 H A 0014 HIS NE2
C A 0012 ASP OD1 10.06 H A 0018 LYS NZ
C A 0012 ASP OD2 8.531 H A 0018 LYS NZ
C A 0012 ASP OD2 11.36 E A 0032 LYS NZ
C A 0012 ASP OD1 7.496 C A 0036 ARG NH1
C A 0012 ASP OD1 9.739 C A 0036 ARG NH2
C A 0012 ASP OD2 9.587 C A 0036 ARG NH1
C A 0012 ASP OD2 11.84 C A 0036 ARG NH2
C A 0012 ASP OD1 8.940 C A 0037 ARG NH1
C A 0012 ASP OD1 6.782 C A 0037 ARG NH2
C A 0012 ASP OD2 11.02 C A 0037 ARG NH1
C A 0012 ASP OD2 8.818 C A 0037 ARG NH2
C A 0012 ASP OD1 11.34 E A 0057 HIS ND1
C A 0012 ASP OD1 10.20 E A 0057 HIS NE2
C A 0012 ASP OD2 10.92 E A 0057 HIS ND1
C A 0012 ASP OD2 10.13 E A 0057 HIS NE2
C A 0012 ASP OD1 11.96 C A 0070 LYS NZ
H A 0013 ASP OD1 7.880 H A 0014 HIS ND1
H A 0013 ASP OD1 10.07 H A 0014 HIS NE2
H A 0013 ASP OD2 6.114 H A 0014 HIS ND1
H A 0013 ASP OD2 8.288 H A 0014 HIS NE2
H A 0013 ASP OD2 11.37 H A 0018 LYS NZ
H A 0013 ASP OD1 11.23 C A 0037 ARG NH2
H A 0013 ASP OD2 11.62 C A 0037 ARG NH2
H A 0017 GLU OE1 3.603 H A 0014 HIS ND1
H A 0017 GLU OE1 4.299 H A 0014 HIS NE2
H A 0017 GLU OE2 3.152 H A 0014 HIS ND1
H A 0017 GLU OE2 3.327 H A 0014 HIS NE2
H A 0017 GLU OE1 6.059 H A 0018 LYS NZ
H A 0017 GLU OE2 4.461 H A 0018 LYS NZ
H A 0017 GLU OE2 11.61 C A 0029 ARG NH1
H A 0021 GLU OE1 7.947 H A 0018 LYS NZ
H A 0021 GLU OE2 10.09 H A 0018 LYS NZ
H A 0021 GLU OE1 8.821 H A 0025 LYS NZ
H A 0021 GLU OE2 7.191 H A 0025 LYS NZ
H A 0021 GLU OE1 8.713 C A 0029 ARG NH1
H A 0021 GLU OE1 10.14 C A 0029 ARG NH2
H A 0021 GLU OE2 10.10 C A 0029 ARG NH1
H A 0021 GLU OE2 11.23 C A 0029 ARG NH2
H A 0021 GLU OE1 8.681 E A 0047 HIS ND1
H A 0021 GLU OE1 9.812 E A 0047 HIS NE2
H A 0021 GLU OE2 8.599 E A 0047 HIS ND1
H A 0021 GLU OE2 9.435 E A 0047 HIS NE2
C A 0027 GLU OE1 10.57 H A 0018 LYS NZ
C A 0027 GLU OE2 11.45 H A 0018 LYS NZ
C A 0027 GLU OE1 5.536 H A 0025 LYS NZ
C A 0027 GLU OE2 4.612 H A 0025 LYS NZ
C A 0027 GLU OE1 10.70 C A 0028 LYS NZ
C A 0027 GLU OE2 10.88 C A 0028 LYS NZ
C A 0027 GLU OE1 7.329 C A 0029 ARG NH1
C A 0027 GLU OE1 7.819 C A 0029 ARG NH2
C A 0027 GLU OE2 9.286 C A 0029 ARG NH1
C A 0027 GLU OE2 9.940 C A 0029 ARG NH2
C A 0027 GLU OE1 7.894 E A 0047 HIS ND1
C A 0027 GLU OE1 9.422 E A 0047 HIS NE2
C A 0027 GLU OE2 8.479 E A 0047 HIS ND1
C A 0027 GLU OE2 9.590 E A 0047 HIS NE2
H A 0043 GLU OE1 7.880 E A 0047 HIS ND1
H A 0043 GLU OE1 5.970 E A 0047 HIS NE2
H A 0043 GLU OE2 7.730 E A 0047 HIS ND1
H A 0043 GLU OE2 6.257 E A 0047 HIS NE2
C A 0064 GLU OE1 11.83 C A 0028 LYS NZ
C A 0064 GLU OE1 10.20 E A 0047 HIS NE2
C A 0064 GLU OE2 11.38 E A 0047 HIS ND1
C A 0064 GLU OE2 9.415 E A 0047 HIS NE2
C A 0073 GLU OE1 4.760 C A 0069 HIS ND1
C A 0073 GLU OE1 3.392 C A 0069 HIS NE2
C A 0073 GLU OE2 4.832 C A 0069 HIS ND1
C A 0073 GLU OE2 3.930 C A 0069 HIS NE2
CHARGE_REPU 2.00 12.00 64
C A 0012 ASP OD1 8.021 H A 0013 ASP OD1
C A 0012 ASP OD1 7.676 H A 0013 ASP OD2
C A 0012 ASP OD2 8.120 H A 0013 ASP OD1
C A 0012 ASP OD2 7.669 H A 0013 ASP OD2
C A 0012 ASP OD1 8.693 H A 0017 GLU OE1
C A 0012 ASP OD1 7.475 H A 0017 GLU OE2
C A 0012 ASP OD2 7.868 H A 0017 GLU OE1
C A 0012 ASP OD2 6.366 H A 0017 GLU OE2
H A 0013 ASP OD1 8.206 H A 0017 GLU OE1
H A 0013 ASP OD1 8.799 H A 0017 GLU OE2
H A 0013 ASP OD2 6.213 H A 0017 GLU OE1
H A 0013 ASP OD2 7.043 H A 0017 GLU OE2
H A 0013 ASP OD1 11.18 H A 0043 GLU OE2
H A 0013 ASP OD2 11.68 H A 0043 GLU OE2
H A 0014 HIS ND1 6.968 H A 0018 LYS NZ
H A 0014 HIS NE2 5.740 H A 0018 LYS NZ
H A 0014 HIS ND1 10.86 C A 0036 ARG NH1
H A 0014 HIS NE2 11.52 C A 0036 ARG NH1
H A 0014 HIS ND1 11.24 C A 0037 ARG NH2
H A 0014 HIS NE2 11.37 E A 0057 HIS NE2
H A 0017 GLU OE1 10.06 H A 0021 GLU OE1
H A 0017 GLU OE1 11.84 H A 0021 GLU OE2
H A 0017 GLU OE2 9.670 H A 0021 GLU OE1
H A 0017 GLU OE2 11.59 H A 0021 GLU OE2
H A 0018 LYS NZ 7.485 C A 0029 ARG NH1
H A 0018 LYS NZ 9.517 C A 0029 ARG NH2
H A 0018 LYS NZ 10.49 E A 0032 LYS NZ
H A 0018 LYS NZ 11.98 E A 0047 HIS ND1
H A 0018 LYS NZ 11.93 E A 0057 HIS NE2
H A 0021 GLU OE1 4.749 C A 0027 GLU OE1
H A 0021 GLU OE1 4.268 C A 0027 GLU OE2
H A 0021 GLU OE2 4.412 C A 0027 GLU OE1
H A 0021 GLU OE2 3.023 C A 0027 GLU OE2
H A 0021 GLU OE1 10.56 H A 0043 GLU OE2
H A 0021 GLU OE2 11.55 H A 0043 GLU OE1
H A 0021 GLU OE2 10.18 H A 0043 GLU OE2
H A 0025 LYS NZ 9.369 C A 0028 LYS NZ
H A 0025 LYS NZ 10.91 E A 0047 HIS ND1
H A 0025 LYS NZ 11.66 E A 0047 HIS NE2
C A 0027 GLU OE2 11.90 H A 0043 GLU OE2
C A 0028 LYS NZ 8.526 E A 0047 HIS ND1
C A 0028 LYS NZ 8.380 E A 0047 HIS NE2
C A 0029 ARG NH1 7.959 E A 0032 LYS NZ
C A 0029 ARG NH2 7.551 E A 0032 LYS NZ
C A 0029 ARG NH1 10.48 E A 0047 HIS ND1
C A 0029 ARG NH2 10.32 E A 0047 HIS ND1
E A 0032 LYS NZ 5.252 E A 0057 HIS ND1
E A 0032 LYS NZ 7.004 E A 0057 HIS NE2
C A 0036 ARG NH1 3.402 C A 0037 ARG NH1
C A 0036 ARG NH1 3.248 C A 0037 ARG NH2
C A 0036 ARG NH2 3.418 C A 0037 ARG NH1
C A 0036 ARG NH2 4.570 C A 0037 ARG NH2
C A 0036 ARG NH1 11.87 E A 0057 HIS NE2
C A 0037 ARG NH1 11.43 C A 0070 LYS NZ
C A 0037 ARG NH2 10.37 C A 0070 LYS NZ
H A 0043 GLU OE1 9.594 C A 0064 GLU OE1
H A 0043 GLU OE1 8.232 C A 0064 GLU OE2
H A 0043 GLU OE2 11.68 C A 0064 GLU OE1
H A 0043 GLU OE2 10.28 C A 0064 GLU OE2
C A 0055 LYS NZ 10.08 E A 0057 HIS ND1
C A 0055 LYS NZ 10.41 E A 0057 HIS NE2
C A 0055 LYS NZ 10.06 C A 0070 LYS NZ
C A 0069 HIS ND1 8.731 C A 0070 LYS NZ
C A 0069 HIS NE2 10.70 C A 0070 LYS NZ
HB_MM 2.00 3.20 109
C A 0009 VAL N 2.206 C A 0008 GLY O
C A 0010 PHE N 2.207 C A 0009 VAL O
C A 0011 VAL N 2.204 C A 0010 PHE O
C A 0012 ASP N 2.209 C A 0011 VAL O
H A 0013 ASP N 2.833 C A 0011 VAL O
H A 0013 ASP N 2.205 C A 0012 ASP O
H A 0014 HIS N 2.212 H A 0013 ASP O
H A 0015 LEU N 2.205 H A 0014 HIS O
H A 0016 LEU N 2.207 H A 0015 LEU O
H A 0017 GLU N 3.170 H A 0013 ASP O
H A 0017 GLU N 2.210 H A 0016 LEU O
H A 0018 LYS N 3.042 H A 0015 LEU O
H A 0018 LYS N 2.755 H A 0016 LEU O
H A 0018 LYS N 2.210 H A 0017 GLU O
H A 0019 VAL N 2.635 H A 0015 LEU O
H A 0019 VAL N 3.019 H A 0016 LEU O
H A 0019 VAL N 2.207 H A 0018 LYS O
H A 0020 LEU N 2.826 H A 0016 LEU O
H A 0020 LEU N 2.204 H A 0019 VAL O
H A 0021 GLU N 3.094 H A 0019 VAL O
H A 0021 GLU N 2.211 H A 0020 LEU O
H A 0022 LEU N 2.849 H A 0019 VAL O
H A 0022 LEU N 2.212 H A 0021 GLU O
H A 0023 ASN N 2.852 H A 0019 VAL O
H A 0023 ASN N 2.205 H A 0022 LEU O
H A 0024 ALA N 3.178 H A 0020 LEU O
H A 0024 ALA N 2.211 H A 0023 ASN O
H A 0025 LYS N 2.210 H A 0024 ALA O
C A 0026 GLY N 2.816 H A 0022 LEU O
C A 0026 GLY N 2.205 H A 0025 LYS O
C A 0027 GLU N 2.829 H A 0022 LEU O
C A 0027 GLU N 2.206 C A 0026 GLY O
C A 0028 LYS N 2.205 C A 0027 GLU O
C A 0029 ARG N 2.207 C A 0028 LYS O
E A 0030 LEU N 2.205 C A 0029 ARG O
E A 0031 ILE N 2.206 E A 0030 LEU O
E A 0032 LYS N 2.200 E A 0031 ILE O
C A 0033 THR N 2.209 E A 0032 LYS O
C A 0033 THR N 3.077 E A 0050 ALA O
C A 0034 TRP N 2.209 C A 0033 THR O
C A 0035 SER N 2.200 C A 0034 TRP O
C A 0036 ARG N 2.207 C A 0035 SER O
C A 0037 ARG N 2.208 C A 0036 ARG O
C A 0038 SER N 2.215 C A 0037 ARG O
C A 0039 THR N 3.038 C A 0010 PHE O
C A 0039 THR N 2.210 C A 0038 SER O
C A 0040 ILE N 2.205 C A 0039 THR O
C A 0041 VAL N 2.211 C A 0040 ILE O
H A 0042 PRO N 2.229 C A 0041 VAL O
H A 0043 GLU N 2.201 H A 0042 PRO O
H A 0044 MET N 3.110 C A 0041 VAL O
H A 0044 MET N 3.058 H A 0042 PRO O
H A 0044 MET N 2.204 H A 0043 GLU O
C A 0045 VAL N 2.200 H A 0044 MET O
C A 0046 GLY N 2.693 H A 0044 MET O
C A 0046 GLY N 2.193 C A 0045 VAL O
C A 0046 GLY N 3.167 E A 0062 ILE O
E A 0047 HIS N 3.134 H A 0044 MET O
E A 0047 HIS N 2.211 C A 0046 GLY O
E A 0048 THR N 3.138 C A 0029 ARG O
E A 0048 THR N 2.208 E A 0047 HIS O
E A 0049 ILE N 2.190 E A 0048 THR O
E A 0049 ILE N 3.186 E A 0060 VAL O
E A 0050 ALA N 2.725 E A 0031 ILE O
E A 0050 ALA N 2.208 E A 0049 ILE O
E A 0051 VAL N 2.711 E A 0049 ILE O
E A 0051 VAL N 2.212 E A 0050 ALA O
E A 0051 VAL N 3.040 E A 0058 VAL O
E A 0052 TYR N 2.200 E A 0051 VAL O
C A 0053 ASN N 3.098 E A 0051 VAL O
C A 0053 ASN N 2.208 E A 0052 TYR O
C A 0053 ASN N 2.889 C A 0056 GLN O
C A 0054 GLY N 3.163 C A 0036 ARG O
C A 0054 GLY N 2.986 E A 0052 TYR O
C A 0054 GLY N 2.206 C A 0053 ASN O
C A 0055 LYS N 2.209 C A 0054 GLY O
C A 0056 GLN N 2.204 C A 0055 LYS O
E A 0057 HIS N 2.210 C A 0056 GLN O
E A 0058 VAL N 2.948 E A 0051 VAL O
E A 0058 VAL N 2.201 E A 0057 HIS O
E A 0059 PRO N 2.242 E A 0058 VAL O
E A 0060 VAL N 2.967 E A 0049 ILE O
E A 0060 VAL N 2.696 E A 0058 VAL O
E A 0060 VAL N 2.202 E A 0059 PRO O
E A 0061 TYR N 2.199 E A 0060 VAL O
E A 0062 ILE N 2.966 E A 0047 HIS O
E A 0062 ILE N 2.894 E A 0060 VAL O
E A 0062 ILE N 2.198 E A 0061 TYR O
C A 0063 THR N 2.197 E A 0062 ILE O
C A 0064 GLU N 2.191 C A 0063 THR O
C A 0065 ASN N 2.208 C A 0064 GLU O
C A 0066 MET N 2.201 C A 0065 ASN O
C A 0067 VAL N 2.208 C A 0066 MET O
C A 0068 GLY N 2.214 C A 0067 VAL O
C A 0069 HIS N 2.201 C A 0068 GLY O
C A 0070 LYS N 2.204 C A 0069 HIS O
C A 0071 LEU N 2.210 C A 0070 LYS O
C A 0072 GLY N 2.210 C A 0071 LEU O
C A 0073 GLU N 2.202 C A 0072 GLY O
C A 0074 PHE N 3.174 C A 0071 LEU O
C A 0074 PHE N 2.205 C A 0073 GLU O
C A 0075 ALA N 2.791 C A 0071 LEU O
C A 0075 ALA N 2.210 C A 0074 PHE O
C A 0076 PRO N 2.235 C A 0075 ALA O
C A 0077 THR N 2.973 C A 0075 ALA O
C A 0077 THR N 2.204 C A 0076 PRO O
C A 0078 ARG N 2.206 C A 0077 THR O
C A 0079 THR N 2.207 C A 0078 ARG O
C A 0080 TYR N 2.206 C A 0079 THR O
HB_MS 2.00 3.20 13
C A 0010 PHE O 2.984 C A 0039 THR OG1
H A 0015 LEU N 2.814 C A 0012 ASP OD2
H A 0019 VAL O 2.778 H A 0023 ASN ND2
E A 0032 LYS O 3.087 C A 0033 THR OG1
C A 0036 ARG N 3.019 C A 0035 SER OG
C A 0037 ARG O 3.069 C A 0039 THR OG1
H A 0043 GLU O 2.734 H A 0023 ASN ND2
H A 0043 GLU O 3.159 E A 0047 HIS NE2
C A 0054 GLY O 3.014 E A 0052 TYR OH
C A 0056 GLN N 2.780 C A 0053 ASN OD1
E A 0057 HIS O 2.953 C A 0056 GLN NE2
C A 0064 GLU N 3.055 C A 0063 THR OG1
C A 0069 HIS O 3.115 C A 0039 THR OG1
HB_SS 2.00 3.20 5
C A 0012 ASP OD2 2.979 C A 0033 THR OG1
C A 0037 ARG NH2 2.860 C A 0035 SER OG
H A 0043 GLU OE2 3.146 H A 0023 ASN ND2
E A 0047 HIS NE2 3.146 H A 0023 ASN OD1
C A 0078 ARG NH1 3.008 C A 0080 TYR OH
AROMATIC 0.00 8.00 5
C A 0078 ARG 5.068 C A 0080 TYR
C A 0036 ARG 7.904 E A 0052 TYR
H A 0018 LYS 6.118 H A 0014 HIS
H A 0018 LYS 6.225 C A 0034 TRP
E A 0032 LYS 5.928 E A 0057 HIS