Complet list of 1whq con file
Complete list of 1whq.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 424
C A -001 SER CA 3.792 C A 0000 GLY CA
C A -001 SER C 2.418 C A 0000 GLY CA
C A -001 SER C 3.368 C A 0000 GLY C
C A -002 SER C 2.434 C A -001 SER CA
C A -002 SER C 3.625 C A -001 SER C
C A -002 SER C 3.301 C A -001 SER CB
C A -003 GLY CA 3.796 C A -002 SER CA
C A -003 GLY C 2.434 C A -002 SER CA
C A -003 GLY C 3.556 C A -002 SER C
C A -003 GLY C 3.404 C A -002 SER CB
C A 0000 GLY CA 3.797 C A 0001 SER CA
C A 0000 GLY C 2.434 C A 0001 SER CA
C A 0000 GLY C 3.440 C A 0001 SER C
C A 0000 GLY C 3.526 C A 0001 SER CB
C A 0001 SER C 2.434 C A 0002 SER CA
C A 0001 SER C 3.539 C A 0002 SER C
C A 0001 SER C 3.424 C A 0002 SER CB
C A 0002 SER CA 3.792 C A 0003 GLY CA
C A 0002 SER C 2.419 C A 0003 GLY CA
C A 0002 SER C 3.703 C A 0003 GLY C
C A 0003 GLY CA 3.795 C A 0004 ILE CA
C A 0003 GLY C 2.433 C A 0004 ILE CA
C A 0003 GLY C 3.213 C A 0004 ILE C
C A 0003 GLY C 3.690 C A 0004 ILE CB
C A 0004 ILE C 2.435 H A 0005 LYS CA
C A 0004 ILE C 3.075 H A 0005 LYS C
C A 0004 ILE C 3.707 H A 0005 LYS CB
C A 0004 ILE CG1 3.536 H A 0063 ARG CA
C A 0004 ILE CG1 3.752 H A 0063 ARG CB
C A 0004 ILE CD1 3.735 H A 0066 VAL CG2
H A 0005 LYS C 2.434 H A 0006 ASN CA
H A 0005 LYS C 2.983 H A 0006 ASN C
H A 0005 LYS C 3.715 H A 0006 ASN CB
H A 0006 ASN C 2.435 H A 0007 PHE CA
H A 0006 ASN C 3.068 H A 0007 PHE C
H A 0006 ASN C 3.708 H A 0007 PHE CB
H A 0007 PHE C 2.435 H A 0008 LEU CA
H A 0007 PHE C 2.987 H A 0008 LEU C
H A 0007 PHE C 3.714 H A 0008 LEU CB
H A 0007 PHE CD1 3.674 H A 0008 LEU CA
H A 0007 PHE CE1 3.554 H A 0066 VAL CG1
H A 0007 PHE CZ 3.540 C A 0075 VAL CG1
H A 0007 PHE CE2 3.407 C A 0079 GLU C
H A 0007 PHE CE2 3.800 C A 0079 GLU CB
H A 0007 PHE CE2 3.427 C A 0080 VAL CA
H A 0007 PHE CE2 3.695 C A 0080 VAL CG2
H A 0007 PHE CZ 3.602 C A 0080 VAL CG2
H A 0007 PHE CD2 3.770 C A 0081 PRO CD
H A 0008 LEU C 2.433 H A 0009 TYR CA
H A 0008 LEU C 2.966 H A 0009 TYR C
H A 0008 LEU C 3.714 H A 0009 TYR CB
H A 0009 TYR C 2.433 H A 0010 ALA CA
H A 0009 TYR C 3.076 H A 0010 ALA C
H A 0009 TYR C 3.697 H A 0010 ALA CB
H A 0010 ALA C 2.433 H A 0011 TRP CA
H A 0010 ALA C 3.082 H A 0011 TRP C
H A 0010 ALA C 3.703 H A 0011 TRP CB
H A 0011 TRP C 2.433 H A 0012 CYS CA
H A 0011 TRP C 3.133 H A 0012 CYS C
H A 0011 TRP C 3.692 H A 0012 CYS CB
H A 0011 TRP CE2 3.575 C A 0015 ARG CD
H A 0011 TRP CZ2 3.150 C A 0015 ARG CD
H A 0011 TRP CZ3 3.775 C A 0015 ARG CD
H A 0011 TRP CH2 3.255 C A 0015 ARG CD
H A 0011 TRP CD1 3.409 C A 0075 VAL CG2
H A 0011 TRP CE2 3.223 C A 0075 VAL CG2
H A 0011 TRP CZ2 3.716 C A 0075 VAL CG2
H A 0012 CYS CA 3.792 H A 0013 GLY CA
H A 0012 CYS C 2.418 H A 0013 GLY CA
H A 0012 CYS C 2.941 H A 0013 GLY C
H A 0013 GLY CA 3.795 H A 0014 LYS CA
H A 0013 GLY C 2.433 H A 0014 LYS CA
H A 0013 GLY C 3.064 H A 0014 LYS C
H A 0013 GLY C 3.708 H A 0014 LYS CB
H A 0014 LYS C 2.434 C A 0015 ARG CA
H A 0014 LYS C 3.219 C A 0015 ARG C
H A 0014 LYS C 3.664 C A 0015 ARG CB
H A 0014 LYS CG 3.685 C A 0015 ARG CG
C A 0015 ARG C 2.434 C A 0016 LYS CA
C A 0015 ARG C 2.914 C A 0016 LYS C
C A 0015 ARG C 3.097 C A 0016 LYS CB
C A 0015 ARG CB 3.593 C A 0017 MET CE
C A 0016 LYS C 2.433 C A 0017 MET CA
C A 0016 LYS C 3.584 C A 0017 MET C
C A 0016 LYS C 3.363 C A 0017 MET CB
C A 0016 LYS C 3.637 C A 0017 MET CG
C A 0017 MET C 2.435 C A 0018 THR CA
C A 0017 MET C 3.630 C A 0018 THR C
C A 0017 MET C 3.322 C A 0018 THR CB
C A 0018 THR CA 2.866 C A 0019 PRO CD
C A 0018 THR C 2.464 C A 0019 PRO CA
C A 0018 THR C 3.137 C A 0019 PRO C
C A 0018 THR C 3.645 C A 0019 PRO CB
C A 0018 THR C 3.635 C A 0019 PRO CG
C A 0018 THR C 2.498 C A 0019 PRO CD
C A 0018 THR CG2 3.789 C A 0019 PRO CD
C A 0019 PRO C 2.433 E A 0020 ALA CA
C A 0019 PRO C 3.450 E A 0020 ALA C
C A 0019 PRO C 3.506 E A 0020 ALA CB
C A 0019 PRO CB 3.668 E A 0021 TYR CE1
C A 0019 PRO CB 3.725 E A 0038 VAL CG2
E A 0020 ALA C 2.433 E A 0021 TYR CA
E A 0020 ALA C 3.343 E A 0021 TYR C
E A 0020 ALA C 3.598 E A 0021 TYR CB
E A 0020 ALA C 3.638 E A 0021 TYR CD1
E A 0021 TYR C 2.433 E A 0022 GLU CA
E A 0021 TYR C 3.603 E A 0022 GLU C
E A 0021 TYR C 3.337 E A 0022 GLU CB
E A 0021 TYR CB 3.593 H A 0058 GLN CD
E A 0021 TYR CD2 3.516 H A 0058 GLN CD
E A 0022 GLU C 2.433 E A 0023 ILE CA
E A 0022 GLU C 3.276 E A 0023 ILE C
E A 0022 GLU C 3.661 E A 0023 ILE CB
E A 0023 ILE C 2.433 E A 0024 ARG CA
E A 0023 ILE C 3.574 E A 0024 ARG C
E A 0023 ILE C 3.379 E A 0024 ARG CB
E A 0023 ILE C 3.707 E A 0024 ARG CG
E A 0023 ILE CG2 3.777 E A 0034 PHE CB
E A 0024 ARG C 2.433 E A 0025 ALA CA
E A 0024 ARG C 3.398 E A 0025 ALA C
E A 0024 ARG C 3.550 E A 0025 ALA CB
E A 0025 ALA C 2.434 E A 0026 VAL CA
E A 0025 ALA C 3.659 E A 0026 VAL C
E A 0025 ALA C 3.265 E A 0026 VAL CB
E A 0025 ALA C 3.169 E A 0026 VAL CG1
E A 0026 VAL CA 3.790 E A 0027 GLY CA
E A 0026 VAL C 2.417 E A 0027 GLY CA
E A 0026 VAL C 3.346 E A 0027 GLY C
E A 0026 VAL CG2 3.498 E A 0035 MET CG
E A 0027 GLY CA 3.797 C A 0028 ASN CA
E A 0027 GLY C 2.434 C A 0028 ASN CA
E A 0027 GLY C 3.403 C A 0028 ASN C
E A 0027 GLY C 3.558 C A 0028 ASN CB
C A 0028 ASN C 2.434 C A 0029 LYS CA
C A 0028 ASN C 3.064 C A 0029 LYS C
C A 0028 ASN C 3.709 C A 0029 LYS CB
C A 0029 LYS C 2.434 C A 0030 ASN CA
C A 0029 LYS C 2.976 C A 0030 ASN C
C A 0029 LYS C 3.715 C A 0030 ASN CB
C A 0030 ASN C 2.433 C A 0031 ARG CA
C A 0030 ASN C 3.474 C A 0031 ARG C
C A 0030 ASN C 3.495 C A 0031 ARG CB
C A 0031 ARG C 2.434 E A 0032 GLN CA
C A 0031 ARG C 3.313 E A 0032 GLN C
C A 0031 ARG C 3.616 E A 0032 GLN CB
E A 0032 GLN C 2.434 E A 0033 LYS CA
E A 0032 GLN C 3.630 E A 0033 LYS C
E A 0032 GLN C 3.292 E A 0033 LYS CB
E A 0033 LYS C 2.434 E A 0034 PHE CA
E A 0033 LYS C 3.540 E A 0034 PHE C
E A 0033 LYS C 3.423 E A 0034 PHE CB
E A 0033 LYS C 3.554 E A 0034 PHE CG
E A 0033 LYS C 3.630 E A 0034 PHE CD1
E A 0033 LYS CE 3.761 E A 0051 SER CA
E A 0033 LYS CE 3.642 E A 0051 SER C
E A 0034 PHE C 2.435 E A 0035 MET CA
E A 0034 PHE C 3.238 E A 0035 MET C
E A 0034 PHE C 3.657 E A 0035 MET CB
E A 0034 PHE CD2 3.600 H A 0054 LYS CG
E A 0034 PHE CE2 3.634 H A 0054 LYS CE
E A 0034 PHE CZ 3.794 H A 0054 LYS CE
E A 0035 MET C 2.434 E A 0036 CYS CA
E A 0035 MET C 3.474 E A 0036 CYS C
E A 0035 MET C 3.495 E A 0036 CYS CB
E A 0036 CYS C 2.434 E A 0037 GLU CA
E A 0036 CYS C 3.506 E A 0037 GLU C
E A 0036 CYS C 3.464 E A 0037 GLU CB
E A 0036 CYS C 3.543 E A 0037 GLU CG
E A 0037 GLU C 2.433 E A 0038 VAL CA
E A 0037 GLU C 3.406 E A 0038 VAL C
E A 0037 GLU C 3.580 E A 0038 VAL CB
E A 0038 VAL C 2.435 E A 0039 ARG CA
E A 0038 VAL C 3.507 E A 0039 ARG C
E A 0038 VAL C 3.463 E A 0039 ARG CB
E A 0038 VAL C 3.639 E A 0039 ARG CG
E A 0038 VAL CG1 3.289 E A 0047 GLY CA
E A 0038 VAL CG1 3.698 E A 0047 GLY C
E A 0039 ARG C 2.433 C A 0040 VAL CA
E A 0039 ARG C 3.581 C A 0040 VAL C
E A 0039 ARG C 3.399 C A 0040 VAL CB
E A 0039 ARG C 3.311 C A 0040 VAL CG2
C A 0040 VAL C 2.434 C A 0041 GLU CA
C A 0040 VAL C 2.889 C A 0041 GLU C
C A 0040 VAL C 3.706 C A 0041 GLU CB
C A 0040 VAL CG1 3.699 C A 0043 PHE CD2
C A 0040 VAL CB 3.677 H A 0065 PHE CZ
C A 0040 VAL CG2 3.698 H A 0065 PHE CE2
C A 0040 VAL CG2 3.499 H A 0065 PHE CZ
C A 0041 GLU CA 3.792 C A 0042 GLY CA
C A 0041 GLU C 2.418 C A 0042 GLY CA
C A 0041 GLU C 3.345 C A 0042 GLY C
C A 0042 GLY CA 3.796 C A 0043 PHE CA
C A 0042 GLY C 2.434 C A 0043 PHE CA
C A 0042 GLY C 3.387 C A 0043 PHE C
C A 0042 GLY C 3.569 C A 0043 PHE CB
C A 0042 GLY C 3.716 C A 0043 PHE CG
C A 0043 PHE C 2.435 C A 0044 ASN CA
C A 0043 PHE C 3.288 C A 0044 ASN C
C A 0043 PHE C 3.632 C A 0044 ASN CB
C A 0043 PHE CD2 3.668 H A 0065 PHE CZ
C A 0043 PHE CE1 3.757 C A 0074 GLU CG
C A 0044 ASN C 2.433 C A 0045 TYR CA
C A 0044 ASN C 3.014 C A 0045 TYR C
C A 0044 ASN C 3.713 C A 0045 TYR CB
C A 0045 TYR C 2.433 C A 0046 ALA CA
C A 0045 TYR C 3.581 C A 0046 ALA C
C A 0045 TYR C 3.358 C A 0046 ALA CB
C A 0045 TYR CB 3.598 H A 0068 TYR CG
C A 0045 TYR CB 3.571 H A 0068 TYR CD1
C A 0045 TYR CB 3.497 H A 0068 TYR CD2
C A 0045 TYR CB 3.471 H A 0068 TYR CE1
C A 0045 TYR CB 3.393 H A 0068 TYR CE2
C A 0045 TYR CB 3.378 H A 0068 TYR CZ
C A 0045 TYR CG 3.569 H A 0068 TYR CG
C A 0045 TYR CG 3.636 H A 0068 TYR CD1
C A 0045 TYR CD2 3.115 H A 0068 TYR CB
C A 0045 TYR CD2 3.162 H A 0068 TYR CG
C A 0045 TYR CD2 3.682 H A 0068 TYR CD1
C A 0045 TYR CD2 3.567 H A 0068 TYR CD2
C A 0045 TYR CE2 3.416 H A 0068 TYR CB
C A 0046 ALA CA 3.792 E A 0047 GLY CA
C A 0046 ALA C 2.418 E A 0047 GLY CA
C A 0046 ALA C 2.978 E A 0047 GLY C
E A 0047 GLY CA 3.796 E A 0048 MET CA
E A 0047 GLY C 2.434 E A 0048 MET CA
E A 0047 GLY C 3.416 E A 0048 MET C
E A 0047 GLY C 3.546 E A 0048 MET CB
E A 0048 MET CA 3.791 E A 0049 GLY CA
E A 0048 MET C 2.418 E A 0049 GLY CA
E A 0048 MET C 3.573 E A 0049 GLY C
E A 0048 MET CG 3.745 H A 0064 ASP CG
E A 0049 GLY CA 3.797 E A 0050 ASN CA
E A 0049 GLY C 2.434 E A 0050 ASN CA
E A 0049 GLY C 3.544 E A 0050 ASN C
E A 0049 GLY C 3.420 E A 0050 ASN CB
E A 0049 GLY CA 3.720 H A 0061 ALA CA
E A 0050 ASN C 2.434 E A 0051 SER CA
E A 0050 ASN C 3.715 E A 0051 SER C
E A 0050 ASN C 3.026 E A 0051 SER CB
E A 0051 SER C 2.433 C A 0052 THR CA
E A 0051 SER C 2.947 C A 0052 THR C
E A 0051 SER C 3.735 C A 0052 THR CB
E A 0051 SER CB 3.656 H A 0056 ASP CB
E A 0051 SER CB 3.661 H A 0057 ALA CA
C A 0052 THR C 2.435 C A 0053 ASN CA
C A 0052 THR C 3.351 C A 0053 ASN C
C A 0052 THR C 3.595 C A 0053 ASN CB
C A 0052 THR C 3.709 C A 0053 ASN CG
C A 0053 ASN C 2.434 H A 0054 LYS CA
C A 0053 ASN C 3.105 H A 0054 LYS C
C A 0053 ASN C 3.700 H A 0054 LYS CB
H A 0054 LYS C 2.434 H A 0055 LYS CA
H A 0054 LYS C 2.926 H A 0055 LYS C
H A 0054 LYS C 3.711 H A 0055 LYS CB
H A 0055 LYS C 2.433 H A 0056 ASP CA
H A 0055 LYS C 3.059 H A 0056 ASP C
H A 0055 LYS C 3.708 H A 0056 ASP CB
H A 0056 ASP C 2.434 H A 0057 ALA CA
H A 0056 ASP C 2.880 H A 0057 ALA C
H A 0056 ASP C 3.695 H A 0057 ALA CB
H A 0057 ALA C 2.434 H A 0058 GLN CA
H A 0057 ALA C 3.009 H A 0058 GLN C
H A 0057 ALA C 3.714 H A 0058 GLN CB
H A 0058 GLN C 2.434 H A 0059 SER CA
H A 0058 GLN C 2.968 H A 0059 SER C
H A 0058 GLN C 3.715 H A 0059 SER CB
H A 0059 SER C 2.434 H A 0060 ASN CA
H A 0059 SER C 2.989 H A 0060 ASN C
H A 0059 SER C 3.715 H A 0060 ASN CB
H A 0060 ASN C 2.433 H A 0061 ALA CA
H A 0060 ASN C 2.879 H A 0061 ALA C
H A 0060 ASN C 3.695 H A 0061 ALA CB
H A 0061 ALA C 2.433 H A 0062 ALA CA
H A 0061 ALA C 2.962 H A 0062 ALA C
H A 0061 ALA C 3.706 H A 0062 ALA CB
H A 0062 ALA C 2.434 H A 0063 ARG CA
H A 0062 ALA C 2.851 H A 0063 ARG C
H A 0062 ALA C 3.695 H A 0063 ARG CB
H A 0063 ARG C 2.434 H A 0064 ASP CA
H A 0063 ARG C 3.005 H A 0064 ASP C
H A 0063 ARG C 3.713 H A 0064 ASP CB
H A 0064 ASP C 2.435 H A 0065 PHE CA
H A 0064 ASP C 2.948 H A 0065 PHE C
H A 0064 ASP C 3.715 H A 0065 PHE CB
H A 0065 PHE C 2.433 H A 0066 VAL CA
H A 0065 PHE C 2.946 H A 0066 VAL C
H A 0065 PHE C 3.735 H A 0066 VAL CB
H A 0065 PHE CD2 3.653 H A 0069 LEU CD1
H A 0065 PHE CE2 3.677 H A 0069 LEU CG
H A 0065 PHE CE2 3.527 H A 0069 LEU CD1
H A 0066 VAL C 2.435 H A 0067 ASN CA
H A 0066 VAL C 2.968 H A 0067 ASN C
H A 0066 VAL C 3.715 H A 0067 ASN CB
H A 0066 VAL CG1 3.690 C A 0080 VAL CG2
H A 0067 ASN C 2.433 H A 0068 TYR CA
H A 0067 ASN C 2.978 H A 0068 TYR C
H A 0067 ASN C 3.714 H A 0068 TYR CB
H A 0068 TYR C 2.433 H A 0069 LEU CA
H A 0068 TYR C 2.962 H A 0069 LEU C
H A 0068 TYR C 3.713 H A 0069 LEU CB
H A 0068 TYR CD1 3.794 H A 0072 ILE CG2
H A 0068 TYR CE1 3.133 H A 0072 ILE CG2
H A 0068 TYR CE2 3.435 H A 0072 ILE CD1
H A 0068 TYR CZ 3.331 H A 0072 ILE CG2
H A 0068 TYR CZ 3.678 H A 0072 ILE CD1
H A 0069 LEU C 2.435 H A 0070 VAL CA
H A 0069 LEU C 2.947 H A 0070 VAL C
H A 0069 LEU C 3.735 H A 0070 VAL CB
H A 0069 LEU CA 3.388 H A 0072 ILE CG1
H A 0069 LEU CA 3.575 H A 0072 ILE CD1
H A 0069 LEU C 3.404 H A 0072 ILE CG1
H A 0069 LEU CD2 3.491 C A 0074 GLU CB
H A 0069 LEU CB 3.799 C A 0075 VAL CG2
H A 0069 LEU CD1 3.768 C A 0075 VAL CG2
H A 0070 VAL C 2.434 H A 0071 ARG CA
H A 0070 VAL C 3.005 H A 0071 ARG C
H A 0070 VAL C 3.714 H A 0071 ARG CB
H A 0071 ARG C 2.432 H A 0072 ILE CA
H A 0071 ARG C 3.061 H A 0072 ILE C
H A 0071 ARG C 3.731 H A 0072 ILE CB
H A 0072 ILE C 2.434 C A 0073 ASN CA
H A 0072 ILE C 3.091 C A 0073 ASN C
H A 0072 ILE C 2.916 C A 0073 ASN CB
H A 0072 ILE C 3.018 C A 0073 ASN CG
H A 0072 ILE C 3.630 C A 0074 GLU CD
H A 0072 ILE CB 3.523 C A 0074 GLU CD
H A 0072 ILE CG1 3.565 C A 0074 GLU CB
H A 0072 ILE CG1 3.479 C A 0074 GLU CG
H A 0072 ILE CG1 3.076 C A 0074 GLU CD
H A 0072 ILE CD1 3.589 C A 0074 GLU CB
H A 0072 ILE CD1 3.198 C A 0074 GLU CG
H A 0072 ILE CD1 3.235 C A 0074 GLU CD
C A 0073 ASN C 2.434 C A 0074 GLU CA
C A 0073 ASN C 3.296 C A 0074 GLU C
C A 0073 ASN C 3.628 C A 0074 GLU CB
C A 0073 ASN C 3.585 C A 0074 GLU CD
C A 0074 GLU C 2.433 C A 0075 VAL CA
C A 0074 GLU C 3.595 C A 0075 VAL C
C A 0074 GLU C 3.379 C A 0075 VAL CB
C A 0074 GLU C 3.305 C A 0075 VAL CG2
C A 0075 VAL C 2.434 C A 0076 LYS CA
C A 0075 VAL C 3.265 C A 0076 LYS C
C A 0075 VAL C 3.644 C A 0076 LYS CB
C A 0076 LYS C 2.433 C A 0077 SER CA
C A 0076 LYS C 2.948 C A 0077 SER C
C A 0076 LYS C 3.713 C A 0077 SER CB
C A 0076 LYS CB 3.670 C A 0078 GLU CG
C A 0077 SER C 2.434 C A 0078 GLU CA
C A 0077 SER C 2.903 C A 0078 GLU C
C A 0077 SER C 3.709 C A 0078 GLU CB
C A 0078 GLU C 2.434 C A 0079 GLU CA
C A 0078 GLU C 3.246 C A 0079 GLU C
C A 0078 GLU C 3.654 C A 0079 GLU CB
C A 0078 GLU CG 3.708 C A 0079 GLU CG
C A 0079 GLU C 2.434 C A 0080 VAL CA
C A 0079 GLU C 3.043 C A 0080 VAL C
C A 0079 GLU C 3.733 C A 0080 VAL CB
C A 0080 VAL CA 2.866 C A 0081 PRO CD
C A 0080 VAL C 2.464 C A 0081 PRO CA
C A 0080 VAL C 3.136 C A 0081 PRO C
C A 0080 VAL C 3.646 C A 0081 PRO CB
C A 0080 VAL C 3.636 C A 0081 PRO CG
C A 0080 VAL C 2.499 C A 0081 PRO CD
C A 0080 VAL CB 3.610 C A 0081 PRO CD
C A 0080 VAL CG1 3.177 C A 0081 PRO CD
C A 0081 PRO C 2.433 C A 0082 ALA CA
C A 0081 PRO C 3.043 C A 0082 ALA C
C A 0081 PRO C 3.703 C A 0082 ALA CB
C A 0082 ALA C 2.434 C A 0083 VAL CA
C A 0082 ALA C 3.318 C A 0083 VAL C
C A 0082 ALA C 3.639 C A 0083 VAL CB
C A 0083 VAL CA 3.792 C A 0084 GLY CA
C A 0083 VAL C 2.419 C A 0084 GLY CA
C A 0083 VAL C 3.439 C A 0084 GLY C
C A 0084 GLY CA 3.795 C A 0085 ILE CA
C A 0084 GLY C 2.433 C A 0085 ILE CA
C A 0084 GLY C 3.053 C A 0085 ILE C
C A 0084 GLY C 3.732 C A 0085 ILE CB
C A 0085 ILE C 2.434 C A 0086 VAL CA
C A 0085 ILE C 3.588 C A 0086 VAL C
C A 0085 ILE C 3.389 C A 0086 VAL CB
C A 0085 ILE C 3.330 C A 0086 VAL CG2
C A 0085 ILE C 3.694 C A 0087 PRO CD
C A 0086 VAL CA 2.865 C A 0087 PRO CD
C A 0086 VAL C 2.464 C A 0087 PRO CA
C A 0086 VAL C 3.136 C A 0087 PRO C
C A 0086 VAL C 3.645 C A 0087 PRO CB
C A 0086 VAL C 3.635 C A 0087 PRO CG
C A 0086 VAL C 2.498 C A 0087 PRO CD
C A 0087 PRO CA 2.867 C A 0088 PRO CD
C A 0087 PRO C 2.463 C A 0088 PRO CA
C A 0087 PRO C 3.135 C A 0088 PRO C
C A 0087 PRO C 3.646 C A 0088 PRO CB
C A 0087 PRO C 3.635 C A 0088 PRO CG
C A 0087 PRO C 2.498 C A 0088 PRO CD
C A 0087 PRO CB 3.207 C A 0088 PRO CD
C A 0088 PRO CA 2.867 C A 0089 PRO CD
C A 0088 PRO C 2.464 C A 0089 PRO CA
C A 0088 PRO C 3.137 C A 0089 PRO C
C A 0088 PRO C 3.646 C A 0089 PRO CB
C A 0088 PRO C 3.636 C A 0089 PRO CG
C A 0088 PRO C 2.498 C A 0089 PRO CD
C A 0088 PRO CB 3.595 C A 0089 PRO CD
C A 0089 PRO C 2.434 C A 0090 SER CA
C A 0089 PRO C 2.861 C A 0090 SER C
C A 0089 PRO C 3.697 C A 0090 SER CB
C A 0090 SER CA 3.792 C A 0091 GLY CA
C A 0090 SER C 2.418 C A 0091 GLY CA
C A 0090 SER C 3.685 C A 0091 GLY C
C A 0091 GLY CA 2.865 C A 0092 PRO CD
C A 0091 GLY C 2.465 C A 0092 PRO CA
C A 0091 GLY C 3.137 C A 0092 PRO C
C A 0091 GLY C 3.646 C A 0092 PRO CB
C A 0091 GLY C 3.636 C A 0092 PRO CG
C A 0091 GLY C 2.498 C A 0092 PRO CD
C A 0092 PRO C 2.435 C A 0093 SER CA
C A 0092 PRO C 2.965 C A 0093 SER C
C A 0092 PRO C 3.039 C A 0093 SER CB
C A 0093 SER C 2.434 C A 0094 SER CA
C A 0093 SER C 3.472 C A 0094 SER C
C A 0093 SER C 3.497 C A 0094 SER CB
C A 0094 SER CA 3.792 C A 0095 GLY CA
C A 0094 SER C 2.419 C A 0095 GLY CA
C A 0094 SER C 3.717 C A 0095 GLY C
CHARGE_ATTR 2.00 12.00 54
E A 0022 GLU OE1 5.563 E A 0024 ARG NH1
E A 0022 GLU OE1 5.669 E A 0024 ARG NH2
E A 0022 GLU OE2 6.416 E A 0024 ARG NH1
E A 0022 GLU OE2 7.191 E A 0024 ARG NH2
E A 0022 GLU OE1 9.079 E A 0039 ARG NH1
E A 0022 GLU OE1 10.24 E A 0039 ARG NH2
E A 0022 GLU OE2 9.528 E A 0039 ARG NH1
E A 0022 GLU OE2 10.73 E A 0039 ARG NH2
E A 0037 GLU OE1 4.248 E A 0024 ARG NH1
E A 0037 GLU OE1 2.798 E A 0024 ARG NH2
E A 0037 GLU OE2 5.889 E A 0024 ARG NH1
E A 0037 GLU OE2 4.062 E A 0024 ARG NH2
E A 0037 GLU OE1 9.746 E A 0039 ARG NH1
E A 0037 GLU OE1 10.23 E A 0039 ARG NH2
E A 0037 GLU OE2 9.687 E A 0039 ARG NH1
E A 0037 GLU OE2 9.908 E A 0039 ARG NH2
C A 0041 GLU OE2 11.55 C A 0015 ARG NH2
C A 0041 GLU OE2 11.54 C A 0016 LYS NZ
C A 0041 GLU OE1 8.760 E A 0039 ARG NH1
C A 0041 GLU OE1 9.189 E A 0039 ARG NH2
C A 0041 GLU OE2 9.630 E A 0039 ARG NH1
C A 0041 GLU OE2 9.814 E A 0039 ARG NH2
H A 0056 ASP OD1 11.46 E A 0033 LYS NZ
H A 0056 ASP OD2 10.43 E A 0033 LYS NZ
H A 0056 ASP OD1 6.846 H A 0055 LYS NZ
H A 0056 ASP OD2 6.240 H A 0055 LYS NZ
H A 0056 ASP OD1 11.37 H A 0063 ARG NH1
H A 0064 ASP OD1 6.961 H A 0063 ARG NH1
H A 0064 ASP OD1 8.702 H A 0063 ARG NH2
H A 0064 ASP OD2 8.692 H A 0063 ARG NH1
H A 0064 ASP OD2 10.44 H A 0063 ARG NH2
C A 0074 GLU OE1 8.904 C A 0015 ARG NH1
C A 0074 GLU OE1 8.326 C A 0015 ARG NH2
C A 0074 GLU OE2 9.793 C A 0015 ARG NH1
C A 0074 GLU OE2 8.994 C A 0015 ARG NH2
C A 0074 GLU OE1 8.987 H A 0071 ARG NH1
C A 0074 GLU OE1 10.83 H A 0071 ARG NH2
C A 0074 GLU OE2 9.008 H A 0071 ARG NH1
C A 0074 GLU OE2 10.51 H A 0071 ARG NH2
C A 0074 GLU OE1 9.096 C A 0076 LYS NZ
C A 0074 GLU OE2 11.29 C A 0076 LYS NZ
C A 0078 GLU OE1 11.12 H A 0014 LYS NZ
C A 0078 GLU OE2 9.122 H A 0014 LYS NZ
C A 0078 GLU OE2 11.93 C A 0015 ARG NH1
C A 0078 GLU OE1 6.082 C A 0076 LYS NZ
C A 0078 GLU OE2 6.641 C A 0076 LYS NZ
C A 0079 GLU OE1 5.990 H A 0014 LYS NZ
C A 0079 GLU OE2 5.703 H A 0014 LYS NZ
C A 0079 GLU OE1 7.837 C A 0015 ARG NH1
C A 0079 GLU OE1 9.827 C A 0015 ARG NH2
C A 0079 GLU OE2 8.938 C A 0015 ARG NH1
C A 0079 GLU OE2 11.01 C A 0015 ARG NH2
C A 0079 GLU OE1 8.260 C A 0076 LYS NZ
C A 0079 GLU OE2 8.770 C A 0076 LYS NZ
CHARGE_REPU 2.00 12.00 22
H A 0014 LYS NZ 5.346 C A 0015 ARG NH1
H A 0014 LYS NZ 7.421 C A 0015 ARG NH2
H A 0014 LYS NZ 11.16 C A 0016 LYS NZ
H A 0014 LYS NZ 10.95 C A 0076 LYS NZ
C A 0015 ARG NH1 9.686 C A 0016 LYS NZ
C A 0015 ARG NH2 9.542 C A 0016 LYS NZ
C A 0015 ARG NH1 10.79 C A 0076 LYS NZ
C A 0015 ARG NH2 11.41 C A 0076 LYS NZ
E A 0022 GLU OE1 4.245 E A 0037 GLU OE1
E A 0022 GLU OE1 6.197 E A 0037 GLU OE2
E A 0022 GLU OE2 6.203 E A 0037 GLU OE1
E A 0022 GLU OE2 8.197 E A 0037 GLU OE2
C A 0031 ARG NH1 10.38 E A 0033 LYS NZ
C A 0031 ARG NH2 10.16 E A 0033 LYS NZ
E A 0037 GLU OE1 10.58 H A 0064 ASP OD2
E A 0037 GLU OE2 10.33 H A 0064 ASP OD1
E A 0037 GLU OE2 8.803 H A 0064 ASP OD2
C A 0074 GLU OE1 10.81 C A 0079 GLU OE1
C A 0078 GLU OE1 7.361 C A 0079 GLU OE1
C A 0078 GLU OE1 6.621 C A 0079 GLU OE2
C A 0078 GLU OE2 5.739 C A 0079 GLU OE1
C A 0078 GLU OE2 4.618 C A 0079 GLU OE2
HB_MM 2.00 3.20 160
C A -001 SER N 2.250 C A -002 SER O
C A -002 SER N 2.250 C A -003 GLY O
C A 0000 GLY N 2.249 C A -001 SER O
C A 0001 SER N 2.251 C A 0000 GLY O
C A 0002 SER N 2.251 C A 0001 SER O
C A 0003 GLY N 2.251 C A 0002 SER O
C A 0004 ILE N 2.250 C A 0003 GLY O
H A 0005 LYS N 2.249 C A 0004 ILE O
H A 0006 ASN N 2.249 H A 0005 LYS O
H A 0007 PHE N 3.001 H A 0005 LYS O
H A 0007 PHE N 2.250 H A 0006 ASN O
H A 0008 LEU N 2.250 H A 0007 PHE O
H A 0009 TYR N 3.112 H A 0005 LYS O
H A 0009 TYR N 2.250 H A 0008 LEU O
H A 0010 ALA N 3.001 H A 0006 ASN O
H A 0010 ALA N 3.154 H A 0007 PHE O
H A 0010 ALA N 3.179 H A 0008 LEU O
H A 0010 ALA N 2.250 H A 0009 TYR O
H A 0011 TRP N 2.877 H A 0007 PHE O
H A 0011 TRP N 3.042 H A 0008 LEU O
H A 0011 TRP N 2.250 H A 0010 ALA O
H A 0012 CYS N 2.731 H A 0008 LEU O
H A 0012 CYS N 2.250 H A 0011 TRP O
H A 0013 GLY N 2.754 H A 0009 TYR O
H A 0013 GLY N 2.250 H A 0012 CYS O
H A 0014 LYS N 3.187 H A 0012 CYS O
H A 0014 LYS N 2.249 H A 0013 GLY O
C A 0015 ARG N 2.909 H A 0012 CYS O
C A 0015 ARG N 2.250 H A 0014 LYS O
C A 0016 LYS N 3.025 H A 0012 CYS O
C A 0016 LYS N 3.169 H A 0013 GLY O
C A 0016 LYS N 3.185 H A 0014 LYS O
C A 0016 LYS N 2.248 C A 0015 ARG O
C A 0017 MET N 2.819 H A 0012 CYS O
C A 0017 MET N 3.176 C A 0015 ARG O
C A 0017 MET N 2.250 C A 0016 LYS O
C A 0018 THR N 2.251 C A 0017 MET O
C A 0019 PRO N 2.253 C A 0018 THR O
E A 0020 ALA N 2.250 C A 0019 PRO O
E A 0021 TYR N 2.251 E A 0020 ALA O
E A 0022 GLU N 2.251 E A 0021 TYR O
E A 0023 ILE N 2.250 E A 0022 GLU O
E A 0024 ARG N 2.250 E A 0023 ILE O
E A 0024 ARG N 2.762 E A 0035 MET O
E A 0025 ALA N 2.249 E A 0024 ARG O
E A 0026 VAL N 2.250 E A 0025 ALA O
E A 0027 GLY N 2.250 E A 0026 VAL O
C A 0028 ASN N 2.249 E A 0027 GLY O
C A 0028 ASN N 2.992 C A 0031 ARG O
C A 0029 LYS N 2.250 C A 0028 ASN O
C A 0030 ASN N 2.249 C A 0029 LYS O
C A 0031 ARG N 2.250 C A 0030 ASN O
E A 0032 GLN N 2.250 C A 0031 ARG O
E A 0033 LYS N 3.031 E A 0026 VAL O
E A 0033 LYS N 2.249 E A 0032 GLN O
E A 0034 PHE N 2.250 E A 0033 LYS O
E A 0035 MET N 3.116 E A 0024 ARG O
E A 0035 MET N 2.250 E A 0034 PHE O
E A 0036 CYS N 2.250 E A 0035 MET O
E A 0036 CYS N 2.924 E A 0049 GLY O
E A 0037 GLU N 3.164 E A 0022 GLU O
E A 0037 GLU N 2.250 E A 0036 CYS O
E A 0038 VAL N 2.250 E A 0037 GLU O
E A 0038 VAL N 2.907 E A 0047 GLY O
E A 0039 ARG N 2.251 E A 0038 VAL O
C A 0040 VAL N 2.250 E A 0039 ARG O
C A 0041 GLU N 2.250 C A 0040 VAL O
C A 0042 GLY N 2.249 C A 0041 GLU O
C A 0043 PHE N 3.045 C A 0040 VAL O
C A 0043 PHE N 2.250 C A 0042 GLY O
C A 0044 ASN N 2.249 C A 0043 PHE O
C A 0045 TYR N 2.249 C A 0044 ASN O
C A 0046 ALA N 2.249 C A 0045 TYR O
E A 0047 GLY N 3.000 E A 0038 VAL O
E A 0047 GLY N 2.250 C A 0046 ALA O
E A 0048 MET N 2.250 E A 0047 GLY O
E A 0049 GLY N 2.891 E A 0036 CYS O
E A 0049 GLY N 2.249 E A 0048 MET O
E A 0050 ASN N 2.249 E A 0049 GLY O
E A 0051 SER N 2.251 E A 0050 ASN O
C A 0052 THR N 2.251 E A 0051 SER O
C A 0053 ASN N 2.948 E A 0051 SER O
C A 0053 ASN N 2.250 C A 0052 THR O
H A 0054 LYS N 2.249 C A 0053 ASN O
H A 0055 LYS N 2.249 H A 0054 LYS O
H A 0056 ASP N 2.250 H A 0055 LYS O
H A 0057 ALA N 3.057 C A 0053 ASN O
H A 0057 ALA N 3.187 H A 0054 LYS O
H A 0057 ALA N 2.250 H A 0056 ASP O
H A 0058 GLN N 2.974 H A 0054 LYS O
H A 0058 GLN N 2.944 H A 0056 ASP O
H A 0058 GLN N 2.250 H A 0057 ALA O
H A 0059 SER N 2.825 H A 0056 ASP O
H A 0059 SER N 2.250 H A 0058 GLN O
H A 0060 ASN N 2.853 H A 0056 ASP O
H A 0060 ASN N 2.250 H A 0059 SER O
H A 0061 ALA N 2.988 H A 0057 ALA O
H A 0061 ALA N 2.251 H A 0060 ASN O
H A 0062 ALA N 3.091 H A 0060 ASN O
H A 0062 ALA N 2.250 H A 0061 ALA O
H A 0063 ARG N 3.093 H A 0060 ASN O
H A 0063 ARG N 2.251 H A 0062 ALA O
H A 0064 ASP N 3.022 H A 0060 ASN O
H A 0064 ASP N 3.137 H A 0061 ALA O
H A 0064 ASP N 2.753 H A 0062 ALA O
H A 0064 ASP N 2.250 H A 0063 ARG O
H A 0065 PHE N 3.191 H A 0061 ALA O
H A 0065 PHE N 2.763 H A 0062 ALA O
H A 0065 PHE N 2.250 H A 0064 ASP O
H A 0066 VAL N 2.938 H A 0062 ALA O
H A 0066 VAL N 3.149 H A 0064 ASP O
H A 0066 VAL N 2.251 H A 0065 PHE O
H A 0067 ASN N 3.028 H A 0064 ASP O
H A 0067 ASN N 2.250 H A 0066 VAL O
H A 0068 TYR N 3.030 H A 0065 PHE O
H A 0068 TYR N 2.249 H A 0067 ASN O
H A 0069 LEU N 3.060 H A 0065 PHE O
H A 0069 LEU N 3.084 H A 0066 VAL O
H A 0069 LEU N 2.250 H A 0068 TYR O
H A 0070 VAL N 2.250 H A 0069 LEU O
H A 0071 ARG N 3.199 H A 0067 ASN O
H A 0071 ARG N 3.121 H A 0068 TYR O
H A 0071 ARG N 3.197 H A 0069 LEU O
H A 0071 ARG N 2.250 H A 0070 VAL O
H A 0072 ILE N 2.989 H A 0068 TYR O
H A 0072 ILE N 3.125 H A 0069 LEU O
H A 0072 ILE N 2.251 H A 0071 ARG O
C A 0073 ASN N 2.955 H A 0069 LEU O
C A 0073 ASN N 3.012 H A 0070 VAL O
C A 0073 ASN N 2.923 H A 0071 ARG O
C A 0073 ASN N 2.249 H A 0072 ILE O
C A 0074 GLU N 2.774 H A 0069 LEU O
C A 0074 GLU N 2.251 C A 0073 ASN O
C A 0075 VAL N 2.250 C A 0074 GLU O
C A 0076 LYS N 2.249 C A 0075 VAL O
C A 0077 SER N 2.250 C A 0076 LYS O
C A 0078 GLU N 3.000 C A 0076 LYS O
C A 0078 GLU N 2.251 C A 0077 SER O
C A 0079 GLU N 2.888 C A 0076 LYS O
C A 0079 GLU N 2.760 C A 0077 SER O
C A 0079 GLU N 2.250 C A 0078 GLU O
C A 0080 VAL N 2.636 C A 0077 SER O
C A 0080 VAL N 2.250 C A 0079 GLU O
C A 0081 PRO N 2.252 C A 0080 VAL O
C A 0082 ALA N 2.250 C A 0081 PRO O
C A 0083 VAL N 2.250 C A 0082 ALA O
C A 0084 GLY N 2.250 C A 0083 VAL O
C A 0085 ILE N 2.251 C A 0084 GLY O
C A 0086 VAL N 2.250 C A 0085 ILE O
C A 0087 PRO N 2.253 C A 0086 VAL O
C A 0088 PRO N 2.253 C A 0087 PRO O
C A 0089 PRO N 2.253 C A 0088 PRO O
C A 0090 SER N 2.250 C A 0089 PRO O
C A 0091 GLY N 2.496 C A 0089 PRO O
C A 0091 GLY N 2.250 C A 0090 SER O
C A 0092 PRO N 2.253 C A 0091 GLY O
C A 0093 SER N 3.042 C A 0091 GLY O
C A 0093 SER N 2.251 C A 0092 PRO O
C A 0094 SER N 2.250 C A 0093 SER O
C A 0095 GLY N 2.250 C A 0094 SER O
HB_MS 2.00 3.20 7
C A 0017 MET O 3.116 C A 0018 THR OG1
E A 0048 MET N 2.842 H A 0064 ASP OD2
E A 0050 ASN O 2.479 E A 0051 SER OG
E A 0050 ASN O 3.065 H A 0060 ASN ND2
H A 0072 ILE O 2.706 C A 0073 ASN ND2
C A 0078 GLU N 3.095 C A 0077 SER OG
C A 0095 GLY N 2.863 C A 0094 SER OG
HB_SS 2.00 3.20 2
H A 0060 ASN ND2 2.958 E A 0051 SER OG
H A 0064 ASP OD2 3.007 C A 0045 TYR OH
AROMATIC 0.00 8.00 3
H A 0005 LYS 4.015 E A 0021 TYR
C A 0015 ARG 5.456 H A 0011 TRP
H A 0005 LYS 7.038 H A 0009 TYR