Complet list of 2hgl con file
Complete list of 2hgl.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 472
C A 0001 MET C 2.537 C A 0002 MET CA
C A 0001 MET C 3.745 C A 0002 MET C
C A 0001 MET C 3.266 C A 0002 MET CB
C A 0002 MET C 2.519 C A 0003 LEU CA
C A 0002 MET C 3.633 C A 0003 LEU C
C A 0002 MET C 3.414 C A 0003 LEU CB
C A 0002 MET C 3.760 C A 0003 LEU CG
C A 0003 LEU C 2.449 C A 0004 GLY CA
C A 0003 LEU C 3.762 C A 0004 GLY C
C A 0004 GLY CA 2.973 C A 0005 PRO CA
C A 0004 GLY CA 3.148 C A 0005 PRO C
C A 0004 GLY C 2.529 C A 0005 PRO CA
C A 0004 GLY C 3.187 C A 0005 PRO C
C A 0004 GLY C 3.718 C A 0005 PRO CB
C A 0004 GLY C 3.652 C A 0005 PRO CG
C A 0004 GLY C 2.468 C A 0005 PRO CD
C A 0005 PRO C 2.529 C A 0006 GLU CA
C A 0005 PRO C 3.751 C A 0006 GLU C
C A 0005 PRO C 3.168 C A 0006 GLU CB
C A 0005 PRO C 3.733 C A 0006 GLU CG
C A 0006 GLU C 2.465 C A 0007 GLY CA
C A 0006 GLU C 3.608 C A 0007 GLY C
C A 0007 GLY C 2.500 C A 0008 GLY CA
C A 0007 GLY C 3.253 C A 0008 GLY C
C A 0007 GLY C 3.624 C A 0037 HIS CE1
C A 0008 GLY C 2.602 C A 0009 GLU CA
C A 0008 GLY C 3.316 C A 0009 GLU C
C A 0008 GLY C 3.431 C A 0009 GLU CB
C A 0008 GLY C 3.491 C A 0009 GLU CG
C A 0008 GLY CA 3.532 C A 0037 HIS CG
C A 0008 GLY CA 3.754 C A 0037 HIS CD2
C A 0008 GLY CA 3.778 C A 0037 HIS CE1
C A 0009 GLU C 2.467 C A 0010 GLY CA
C A 0009 GLU C 3.768 C A 0010 GLY C
C A 0009 GLU CG 3.543 C A 0011 PHE CE2
C A 0009 GLU CG 3.675 C A 0011 PHE CZ
C A 0009 GLU CD 3.655 C A 0011 PHE CZ
C A 0010 GLY C 2.474 C A 0011 PHE CA
C A 0010 GLY C 3.274 C A 0011 PHE C
C A 0010 GLY C 3.695 C A 0011 PHE CB
C A 0011 PHE CA 3.799 E A 0012 VAL CA
C A 0011 PHE C 2.413 E A 0012 VAL CA
C A 0011 PHE C 2.964 E A 0012 VAL C
C A 0011 PHE C 3.748 E A 0012 VAL CB
C A 0011 PHE CG 3.443 H A 0063 SER C
C A 0011 PHE CD1 3.595 H A 0063 SER C
C A 0011 PHE CD2 3.507 H A 0063 SER CA
C A 0011 PHE CD2 3.690 H A 0063 SER C
C A 0011 PHE CE2 3.602 H A 0063 SER CA
C A 0011 PHE CD1 3.603 H A 0064 GLU CA
C A 0011 PHE CD1 3.657 H A 0064 GLU CB
C A 0011 PHE CE1 3.644 H A 0064 GLU CB
C A 0011 PHE CA 3.555 H A 0067 VAL CG1
C A 0011 PHE C 3.666 H A 0067 VAL CG1
C A 0011 PHE CB 3.543 H A 0067 VAL CG1
E A 0012 VAL CA 3.749 E A 0013 VAL CA
E A 0012 VAL C 2.440 E A 0013 VAL CA
E A 0012 VAL C 3.485 E A 0013 VAL C
E A 0012 VAL C 3.493 E A 0013 VAL CB
E A 0012 VAL C 3.552 E A 0013 VAL CG1
E A 0012 VAL CG1 3.734 E A 0013 VAL C
E A 0012 VAL CG1 3.756 E A 0058 PHE CD2
E A 0012 VAL CG2 3.663 E A 0060 GLU CG
E A 0012 VAL C 3.720 C A 0088 SER CB
E A 0012 VAL CB 3.685 C A 0088 SER CB
E A 0012 VAL CG1 3.596 C A 0088 SER CB
E A 0012 VAL CG2 3.700 H A 0089 HIS C
E A 0013 VAL CA 3.784 E A 0014 LYS CA
E A 0013 VAL C 2.457 E A 0014 LYS CA
E A 0013 VAL C 3.092 E A 0014 LYS C
E A 0013 VAL C 3.659 E A 0014 LYS CB
E A 0013 VAL CG1 3.577 C A 0061 LEU CD1
E A 0013 VAL CG2 3.438 C A 0061 LEU CD1
E A 0013 VAL CB 3.489 E A 0085 VAL CG1
E A 0013 VAL CG2 3.747 E A 0085 VAL CG1
E A 0014 LYS C 2.475 E A 0015 LEU CA
E A 0014 LYS C 3.533 E A 0015 LEU C
E A 0014 LYS C 3.357 E A 0015 LEU CB
E A 0014 LYS C 3.612 E A 0015 LEU CG
E A 0014 LYS CA 3.633 E A 0058 PHE CD2
E A 0014 LYS CB 3.664 E A 0058 PHE CD2
E A 0014 LYS CB 3.393 E A 0058 PHE CE2
E A 0014 LYS CB 3.779 E A 0058 PHE CZ
E A 0014 LYS CB 3.681 E A 0086 PHE CB
E A 0014 LYS CD 3.793 E A 0086 PHE CD1
E A 0015 LEU C 2.473 E A 0016 ARG CA
E A 0015 LEU C 3.630 E A 0016 ARG C
E A 0015 LEU C 3.351 E A 0016 ARG CB
E A 0015 LEU C 3.694 C A 0018 LEU CD2
E A 0015 LEU CB 3.709 C A 0018 LEU CD2
E A 0015 LEU CD1 3.572 E A 0059 VAL CG2
E A 0015 LEU CD2 3.144 E A 0083 ILE CG2
E A 0015 LEU CD2 3.795 E A 0085 VAL CG2
E A 0016 ARG C 2.472 C A 0017 GLY CA
E A 0016 ARG C 3.581 C A 0017 GLY C
E A 0016 ARG CG 3.730 E A 0056 GLU CG
C A 0017 GLY C 2.557 C A 0018 LEU CA
C A 0017 GLY C 3.184 C A 0018 LEU C
C A 0017 GLY C 3.776 C A 0018 LEU CB
C A 0018 LEU CA 2.980 C A 0019 PRO CD
C A 0018 LEU C 2.484 C A 0019 PRO CA
C A 0018 LEU C 3.097 C A 0019 PRO C
C A 0018 LEU C 3.706 C A 0019 PRO CB
C A 0018 LEU C 3.652 C A 0019 PRO CG
C A 0018 LEU C 2.508 C A 0019 PRO CD
C A 0018 LEU CB 3.425 C A 0019 PRO CD
C A 0018 LEU CD1 3.497 E A 0057 ALA CB
C A 0018 LEU CA 3.666 E A 0083 ILE CD1
C A 0018 LEU CD2 3.680 E A 0083 ILE CG2
C A 0018 LEU CD2 3.503 E A 0083 ILE CD1
C A 0019 PRO C 2.505 C A 0020 TRP CA
C A 0019 PRO C 3.222 C A 0020 TRP C
C A 0019 PRO C 3.739 C A 0020 TRP CB
C A 0019 PRO CA 3.799 C A 0081 ARG CG
C A 0019 PRO CG 3.741 C A 0081 ARG CB
C A 0019 PRO CD 3.784 C A 0081 ARG CB
C A 0020 TRP C 2.497 C A 0021 SER CA
C A 0020 TRP C 3.678 C A 0021 SER C
C A 0020 TRP C 3.384 C A 0021 SER CB
C A 0020 TRP CZ3 3.737 E A 0055 GLY CA
C A 0021 SER C 2.464 C A 0022 CYS CA
C A 0021 SER C 3.195 C A 0022 CYS C
C A 0021 SER C 3.720 C A 0022 CYS CB
C A 0022 CYS C 2.502 H A 0023 SER CA
C A 0022 CYS C 3.702 H A 0023 SER C
C A 0022 CYS C 3.282 H A 0023 SER CB
H A 0023 SER CA 3.794 H A 0024 VAL CA
H A 0023 SER C 2.438 H A 0024 VAL CA
H A 0023 SER C 3.056 H A 0024 VAL C
H A 0023 SER C 3.693 H A 0024 VAL CB
H A 0023 SER CA 3.610 E A 0045 PHE CE1
H A 0023 SER CA 3.475 E A 0045 PHE CZ
H A 0023 SER C 3.565 E A 0045 PHE CE1
H A 0023 SER C 3.452 E A 0045 PHE CZ
H A 0024 VAL C 2.431 H A 0025 GLU CA
H A 0024 VAL C 3.045 H A 0025 GLU C
H A 0024 VAL C 3.707 H A 0025 GLU CB
H A 0024 VAL CA 3.502 H A 0027 VAL CG1
H A 0024 VAL CA 3.705 H A 0027 VAL CG2
H A 0024 VAL CG2 3.782 C A 0040 ALA CA
H A 0024 VAL CG2 3.529 C A 0040 ALA CB
H A 0024 VAL CB 3.325 E A 0043 VAL CG1
H A 0024 VAL CB 3.455 E A 0043 VAL CG2
H A 0024 VAL CG1 3.698 E A 0043 VAL CG1
H A 0024 VAL CG1 3.448 E A 0043 VAL CG2
H A 0024 VAL CG2 3.248 E A 0043 VAL CG1
H A 0025 GLU C 2.497 H A 0026 ASP CA
H A 0025 GLU C 3.291 H A 0026 ASP C
H A 0025 GLU C 3.670 H A 0026 ASP CB
H A 0026 ASP C 2.482 H A 0027 VAL CA
H A 0026 ASP C 3.085 H A 0027 VAL C
H A 0026 ASP C 3.793 H A 0027 VAL CB
H A 0026 ASP CG 3.688 C A 0078 MET CG
H A 0027 VAL CA 3.783 H A 0028 GLN CA
H A 0027 VAL C 2.504 H A 0028 GLN CA
H A 0027 VAL C 3.215 H A 0028 GLN C
H A 0027 VAL C 3.635 H A 0028 GLN CB
H A 0027 VAL CG1 3.544 E A 0045 PHE CZ
H A 0028 GLN C 2.480 H A 0029 ASN CA
H A 0028 GLN C 3.292 H A 0029 ASN C
H A 0028 GLN C 3.695 H A 0029 ASN CB
H A 0029 ASN C 2.479 H A 0030 PHE CA
H A 0029 ASN C 3.045 H A 0030 PHE C
H A 0029 ASN C 3.728 H A 0030 PHE CB
H A 0030 PHE C 2.491 H A 0031 LEU CA
H A 0030 PHE C 3.582 H A 0031 LEU C
H A 0030 PHE C 3.412 H A 0031 LEU CB
H A 0030 PHE C 3.360 H A 0031 LEU CG
H A 0030 PHE CD2 3.684 H A 0031 LEU CG
H A 0030 PHE CD2 3.538 H A 0031 LEU CD1
H A 0030 PHE CZ 3.325 C A 0073 LYS CB
H A 0030 PHE CE1 3.557 E A 0076 GLU CB
H A 0030 PHE CD2 3.698 E A 0083 ILE CG2
H A 0030 PHE CE1 3.776 E A 0083 ILE CB
H A 0030 PHE CE2 3.210 E A 0083 ILE CG2
H A 0030 PHE CZ 3.467 E A 0083 ILE CB
H A 0030 PHE CZ 3.383 E A 0083 ILE CG2
H A 0031 LEU CA 3.771 C A 0032 SER CA
H A 0031 LEU C 2.479 C A 0032 SER CA
H A 0031 LEU C 3.078 C A 0032 SER C
H A 0031 LEU C 3.730 C A 0032 SER CB
H A 0031 LEU CB 3.743 C A 0034 CYS CB
H A 0031 LEU CD2 3.525 H A 0070 ALA CA
C A 0032 SER C 2.530 C A 0033 ASP CA
C A 0032 SER C 3.183 C A 0033 ASP C
C A 0032 SER C 3.766 C A 0033 ASP CB
C A 0033 ASP CA 3.766 C A 0034 CYS CA
C A 0033 ASP C 2.468 C A 0034 CYS CA
C A 0033 ASP C 3.665 C A 0034 CYS C
C A 0033 ASP C 3.333 C A 0034 CYS CB
C A 0034 CYS C 2.485 C A 0035 THR CA
C A 0034 CYS C 3.374 C A 0035 THR C
C A 0034 CYS C 3.694 C A 0035 THR CB
C A 0035 THR C 2.522 C A 0036 ILE CA
C A 0035 THR C 3.065 C A 0036 ILE C
C A 0035 THR C 3.217 C A 0036 ILE CB
C A 0035 THR C 3.696 C A 0036 ILE CD1
C A 0035 THR CB 3.777 H A 0066 ASP CG
C A 0036 ILE C 2.494 C A 0037 HIS CA
C A 0036 ILE C 3.243 C A 0037 HIS C
C A 0036 ILE C 3.670 C A 0037 HIS CB
C A 0036 ILE CG2 3.734 C A 0039 GLY C
C A 0036 ILE CG1 3.570 E A 0059 VAL CG1
C A 0036 ILE CD1 3.551 C A 0061 LEU CD2
C A 0036 ILE C 3.454 C A 0062 GLY CA
C A 0037 HIS C 2.509 C A 0038 ASP CA
C A 0037 HIS C 3.738 C A 0038 ASP C
C A 0037 HIS C 3.136 C A 0038 ASP CB
C A 0037 HIS CB 3.797 C A 0061 LEU C
C A 0037 HIS CA 3.494 C A 0062 GLY CA
C A 0038 ASP C 2.495 C A 0039 GLY CA
C A 0038 ASP C 3.653 C A 0039 GLY C
C A 0038 ASP CB 3.614 C A 0041 ALA CB
C A 0038 ASP CG 3.406 C A 0041 ALA CB
C A 0039 GLY C 2.473 C A 0040 ALA CA
C A 0039 GLY C 3.657 C A 0040 ALA C
C A 0039 GLY C 3.344 C A 0040 ALA CB
C A 0040 ALA C 2.473 C A 0041 ALA CA
C A 0040 ALA C 3.271 C A 0041 ALA C
C A 0040 ALA C 3.682 C A 0041 ALA CB
C A 0040 ALA CA 3.492 E A 0043 VAL CG1
C A 0040 ALA C 3.668 E A 0043 VAL CG1
C A 0041 ALA C 2.486 C A 0042 GLY CA
C A 0041 ALA C 3.664 C A 0042 GLY C
C A 0042 GLY C 2.486 E A 0043 VAL CA
C A 0042 GLY C 3.336 E A 0043 VAL C
C A 0042 GLY C 3.709 E A 0043 VAL CB
C A 0042 GLY C 3.599 E A 0044 HIS CE1
C A 0042 GLY CA 3.771 E A 0060 GLU CB
E A 0043 VAL CA 3.793 E A 0044 HIS CA
E A 0043 VAL C 2.479 E A 0044 HIS CA
E A 0043 VAL C 3.631 E A 0044 HIS C
E A 0043 VAL C 3.338 E A 0044 HIS CB
E A 0043 VAL C 3.180 E A 0044 HIS CG
E A 0043 VAL C 3.699 E A 0044 HIS CD2
E A 0043 VAL CG2 3.411 E A 0045 PHE CE1
E A 0044 HIS C 2.449 E A 0045 PHE CA
E A 0044 HIS C 3.404 E A 0045 PHE C
E A 0044 HIS C 3.506 E A 0045 PHE CB
E A 0044 HIS C 3.763 E A 0045 PHE CG
E A 0044 HIS C 3.570 E A 0045 PHE CD1
E A 0044 HIS CE1 3.098 H A 0093 MET CE
E A 0044 HIS CB 3.376 H A 0097 LEU CD2
E A 0044 HIS CG 3.427 H A 0097 LEU CD2
E A 0044 HIS CD2 3.751 H A 0097 LEU CD2
E A 0045 PHE C 2.472 E A 0046 ILE CA
E A 0045 PHE C 3.379 E A 0046 ILE C
E A 0045 PHE C 3.601 E A 0046 ILE CB
E A 0045 PHE C 3.710 E A 0046 ILE CG1
E A 0045 PHE C 3.715 E A 0047 TYR CD2
E A 0045 PHE C 3.652 E A 0047 TYR CE2
E A 0045 PHE CD2 3.719 E A 0057 ALA CB
E A 0046 ILE CA 3.695 E A 0047 TYR CA
E A 0046 ILE C 2.453 E A 0047 TYR CA
E A 0046 ILE C 3.553 E A 0047 TYR C
E A 0046 ILE C 3.274 E A 0047 TYR CB
E A 0046 ILE C 3.420 E A 0047 TYR CG
E A 0046 ILE C 3.515 E A 0047 TYR CD2
E A 0046 ILE CB 3.770 E A 0056 GLU C
E A 0046 ILE CD1 3.620 E A 0058 PHE CD1
E A 0046 ILE CD1 3.683 E A 0058 PHE CE1
E A 0046 ILE CD1 3.562 H A 0097 LEU CD1
E A 0047 TYR C 2.463 C A 0048 THR CA
E A 0047 TYR C 3.161 C A 0048 THR C
E A 0047 TYR C 3.744 C A 0048 THR CB
E A 0047 TYR CD1 3.744 C A 0052 ARG C
E A 0047 TYR CD1 3.645 E A 0053 GLN CA
C A 0048 THR C 2.570 C A 0049 ARG CA
C A 0048 THR C 3.621 C A 0049 ARG C
C A 0048 THR C 3.076 C A 0049 ARG CB
C A 0048 THR C 3.334 C A 0049 ARG CG
C A 0049 ARG C 2.498 C A 0050 GLU CA
C A 0049 ARG C 3.677 C A 0050 GLU C
C A 0049 ARG C 3.418 C A 0050 GLU CB
C A 0049 ARG C 3.679 C A 0050 GLU CG
C A 0049 ARG CD 3.776 C A 0099 HIS CD2
C A 0049 ARG CZ 3.586 C A 0099 HIS CD2
C A 0050 GLU C 2.466 C A 0051 GLY CA
C A 0051 GLY C 2.502 C A 0052 ARG CA
C A 0051 GLY C 3.748 C A 0052 ARG C
C A 0051 GLY C 3.169 C A 0052 ARG CB
C A 0051 GLY C 3.741 C A 0052 ARG CG
C A 0051 GLY C 3.778 C A 0052 ARG CZ
C A 0052 ARG C 2.459 E A 0053 GLN CA
C A 0052 ARG C 3.197 E A 0053 GLN C
C A 0052 ARG C 3.709 E A 0053 GLN CB
E A 0053 GLN C 2.499 E A 0054 SER CA
E A 0053 GLN C 3.633 E A 0054 SER C
E A 0053 GLN C 3.396 E A 0054 SER CB
E A 0054 SER C 2.489 E A 0055 GLY CA
E A 0054 SER C 3.226 E A 0055 GLY C
E A 0055 GLY C 2.489 E A 0056 GLU CA
E A 0055 GLY C 3.670 E A 0056 GLU C
E A 0055 GLY C 3.356 E A 0056 GLU CB
E A 0055 GLY C 3.512 E A 0056 GLU CG
E A 0056 GLU C 2.487 E A 0057 ALA CA
E A 0056 GLU C 3.749 E A 0057 ALA C
E A 0056 GLU C 3.106 E A 0057 ALA CB
E A 0057 ALA C 2.500 E A 0058 PHE CA
E A 0057 ALA C 3.709 E A 0058 PHE C
E A 0057 ALA C 3.285 E A 0058 PHE CB
E A 0057 ALA C 3.508 E A 0058 PHE CG
E A 0057 ALA C 3.294 E A 0058 PHE CD1
E A 0058 PHE C 2.508 E A 0059 VAL CA
E A 0058 PHE C 3.679 E A 0059 VAL C
E A 0058 PHE C 3.382 E A 0059 VAL CB
E A 0058 PHE C 3.340 E A 0059 VAL CG2
E A 0058 PHE CB 3.606 H A 0093 MET CG
E A 0058 PHE CD1 3.703 H A 0096 VAL CG2
E A 0058 PHE CE1 3.319 H A 0096 VAL CG2
E A 0058 PHE CZ 3.507 H A 0096 VAL CG2
E A 0059 VAL C 2.504 E A 0060 GLU CA
E A 0059 VAL C 3.093 E A 0060 GLU C
E A 0059 VAL C 3.777 E A 0060 GLU CB
E A 0060 GLU C 2.455 C A 0061 LEU CA
E A 0060 GLU C 3.123 C A 0061 LEU C
E A 0060 GLU C 3.737 C A 0061 LEU CB
C A 0061 LEU C 2.469 C A 0062 GLY CA
C A 0061 LEU C 3.404 C A 0062 GLY C
C A 0061 LEU CB 3.622 H A 0066 ASP CB
C A 0061 LEU CD1 3.651 H A 0066 ASP C
C A 0061 LEU CD2 3.784 H A 0066 ASP CB
C A 0061 LEU CD1 3.462 H A 0067 VAL CA
C A 0061 LEU CD1 3.547 H A 0070 ALA CB
C A 0062 GLY C 2.517 H A 0063 SER CA
C A 0062 GLY C 3.730 H A 0063 SER C
C A 0062 GLY C 3.202 H A 0063 SER CB
H A 0063 SER C 2.442 H A 0064 GLU CA
H A 0063 SER C 3.133 H A 0064 GLU C
H A 0063 SER C 3.738 H A 0064 GLU CB
H A 0064 GLU C 2.441 H A 0065 ASP CA
H A 0064 GLU C 3.176 H A 0065 ASP C
H A 0064 GLU C 3.653 H A 0065 ASP CB
H A 0064 GLU CA 3.622 H A 0067 VAL CG1
H A 0064 GLU CG 3.540 H A 0067 VAL CG2
H A 0065 ASP C 2.476 H A 0066 ASP CA
H A 0065 ASP C 3.067 H A 0066 ASP C
H A 0065 ASP C 3.756 H A 0066 ASP CB
H A 0066 ASP C 2.458 H A 0067 VAL CA
H A 0066 ASP C 3.004 H A 0067 VAL C
H A 0066 ASP C 3.784 H A 0067 VAL CB
H A 0067 VAL C 2.499 H A 0068 LYS CA
H A 0067 VAL C 3.102 H A 0068 LYS C
H A 0067 VAL C 3.704 H A 0068 LYS CB
H A 0067 VAL CG2 3.529 E A 0087 LYS CG
H A 0068 LYS C 2.479 H A 0069 MET CA
H A 0068 LYS C 3.071 H A 0069 MET C
H A 0068 LYS C 3.754 H A 0069 MET CB
H A 0069 MET C 2.468 H A 0070 ALA CA
H A 0069 MET C 3.193 H A 0070 ALA C
H A 0069 MET C 3.685 H A 0070 ALA CB
H A 0070 ALA C 2.475 H A 0071 LEU CA
H A 0070 ALA C 3.132 H A 0071 LEU C
H A 0070 ALA C 3.766 H A 0071 LEU CB
H A 0071 LEU C 2.478 H A 0072 LYS CA
H A 0071 LEU C 3.033 H A 0072 LYS C
H A 0071 LEU C 3.789 H A 0072 LYS CB
H A 0072 LYS C 2.500 C A 0073 LYS CA
H A 0072 LYS C 3.486 C A 0073 LYS C
H A 0072 LYS C 3.623 C A 0073 LYS CB
C A 0073 LYS C 2.471 C A 0074 ASP CA
C A 0073 LYS C 3.235 C A 0074 ASP C
C A 0073 LYS C 3.752 C A 0074 ASP CB
C A 0073 LYS CA 3.676 E A 0076 GLU CG
C A 0073 LYS CB 3.737 E A 0076 GLU CG
C A 0074 ASP C 2.515 E A 0075 ARG CA
C A 0074 ASP C 3.765 E A 0075 ARG C
C A 0074 ASP C 3.203 E A 0075 ARG CB
C A 0074 ASP CG 3.739 E A 0075 ARG CZ
E A 0075 ARG C 2.487 E A 0076 GLU CA
E A 0075 ARG C 3.148 E A 0076 GLU C
E A 0075 ARG C 3.741 E A 0076 GLU CB
E A 0076 GLU C 2.502 E A 0077 SER CA
E A 0076 GLU C 3.659 E A 0077 SER C
E A 0076 GLU C 3.396 E A 0077 SER CB
E A 0077 SER C 2.487 C A 0078 MET CA
E A 0077 SER C 3.656 C A 0078 MET C
E A 0077 SER C 3.315 C A 0078 MET CB
E A 0077 SER C 3.762 E A 0083 ILE CG1
C A 0078 MET C 2.491 C A 0079 GLY CA
C A 0078 MET C 3.365 C A 0079 GLY C
C A 0079 GLY C 2.506 C A 0080 HIS CA
C A 0079 GLY C 3.229 C A 0080 HIS C
C A 0079 GLY C 3.726 C A 0080 HIS CB
C A 0080 HIS C 2.513 C A 0081 ARG CA
C A 0080 HIS C 3.681 C A 0081 ARG C
C A 0080 HIS C 3.317 C A 0081 ARG CB
C A 0080 HIS C 3.417 C A 0081 ARG CG
C A 0081 ARG C 2.460 E A 0082 TYR CA
C A 0081 ARG C 3.306 E A 0082 TYR C
C A 0081 ARG C 3.658 E A 0082 TYR CB
E A 0082 TYR C 2.462 E A 0083 ILE CA
E A 0082 TYR C 3.566 E A 0083 ILE C
E A 0082 TYR C 3.408 E A 0083 ILE CB
E A 0082 TYR C 3.394 E A 0083 ILE CG1
E A 0082 TYR C 3.600 E A 0083 ILE CD1
E A 0083 ILE CA 3.796 E A 0084 GLU CA
E A 0083 ILE C 2.437 E A 0084 GLU CA
E A 0083 ILE C 3.054 E A 0084 GLU C
E A 0083 ILE C 3.706 E A 0084 GLU CB
E A 0084 GLU C 2.485 E A 0085 VAL CA
E A 0084 GLU C 3.521 E A 0085 VAL C
E A 0084 GLU C 3.576 E A 0085 VAL CB
E A 0084 GLU C 3.612 E A 0085 VAL CG2
E A 0084 GLU CG 3.393 E A 0086 PHE CE1
E A 0084 GLU CD 3.297 E A 0086 PHE CE1
E A 0084 GLU CD 3.621 E A 0086 PHE CZ
E A 0085 VAL C 2.454 E A 0086 PHE CA
E A 0085 VAL C 3.288 E A 0086 PHE C
E A 0085 VAL C 3.605 E A 0086 PHE CB
E A 0086 PHE CA 3.782 E A 0087 LYS CA
E A 0086 PHE C 2.462 E A 0087 LYS CA
E A 0086 PHE C 3.176 E A 0087 LYS C
E A 0086 PHE C 3.626 E A 0087 LYS CB
E A 0087 LYS CA 3.787 C A 0088 SER CA
E A 0087 LYS C 2.469 C A 0088 SER CA
E A 0087 LYS C 3.603 C A 0088 SER C
E A 0087 LYS C 3.305 C A 0088 SER CB
C A 0088 SER C 2.458 H A 0089 HIS CA
C A 0088 SER C 3.615 H A 0089 HIS C
C A 0088 SER C 3.383 H A 0089 HIS CB
C A 0088 SER C 3.612 H A 0089 HIS CG
C A 0088 SER C 3.442 H A 0089 HIS CD2
H A 0089 HIS C 2.479 H A 0090 ARG CA
H A 0089 HIS C 3.027 H A 0090 ARG C
H A 0089 HIS C 3.757 H A 0090 ARG CB
H A 0090 ARG C 2.489 H A 0091 THR CA
H A 0090 ARG C 3.126 H A 0091 THR C
H A 0090 ARG C 3.750 H A 0091 THR CB
H A 0090 ARG CD 3.511 H A 0093 MET CE
H A 0091 THR C 2.489 H A 0092 GLU CA
H A 0091 THR C 3.193 H A 0092 GLU C
H A 0091 THR C 3.717 H A 0092 GLU CB
H A 0092 GLU C 2.458 H A 0093 MET CA
H A 0092 GLU C 3.072 H A 0093 MET C
H A 0092 GLU C 3.673 H A 0093 MET CB
H A 0093 MET C 2.482 H A 0094 ASP CA
H A 0093 MET C 3.128 H A 0094 ASP C
H A 0093 MET C 3.742 H A 0094 ASP CB
H A 0093 MET CG 3.797 H A 0097 LEU CD1
H A 0094 ASP C 2.478 H A 0095 TRP CA
H A 0094 ASP C 3.079 H A 0095 TRP C
H A 0094 ASP C 3.734 H A 0095 TRP CB
H A 0095 TRP C 2.452 H A 0096 VAL CA
H A 0095 TRP C 3.153 H A 0096 VAL C
H A 0095 TRP C 3.747 H A 0096 VAL CB
H A 0095 TRP CD1 3.684 H A 0096 VAL CG1
H A 0095 TRP CZ3 3.645 C A 0099 HIS CG
H A 0095 TRP CZ3 3.450 C A 0099 HIS CD2
H A 0095 TRP CH2 3.586 C A 0099 HIS CD2
H A 0096 VAL C 2.481 H A 0097 LEU CA
H A 0096 VAL C 3.198 H A 0097 LEU C
H A 0096 VAL C 3.718 H A 0097 LEU CB
H A 0096 VAL CG2 3.404 H A 0097 LEU CD1
H A 0097 LEU C 2.480 H A 0098 LYS CA
H A 0097 LEU C 3.372 H A 0098 LYS C
H A 0097 LEU C 3.603 H A 0098 LYS CB
H A 0098 LYS CA 3.787 C A 0099 HIS CA
H A 0098 LYS C 2.484 C A 0099 HIS CA
H A 0098 LYS C 3.732 C A 0099 HIS C
H A 0098 LYS C 3.174 C A 0099 HIS CB
C A 0099 HIS C 2.495 C A 0100 SER CA
C A 0099 HIS C 3.217 C A 0100 SER C
C A 0099 HIS C 3.733 C A 0100 SER CB
C A 0100 SER C 2.512 C A 0101 GLY CA
C A 0100 SER C 3.792 C A 0101 GLY C
C A 0101 GLY CA 2.921 C A 0102 PRO CD
C A 0101 GLY C 2.516 C A 0102 PRO CA
C A 0101 GLY C 3.107 C A 0102 PRO C
C A 0101 GLY C 3.705 C A 0102 PRO CB
C A 0101 GLY C 3.692 C A 0102 PRO CG
C A 0101 GLY C 2.488 C A 0102 PRO CD
CHARGE_ATTR 2.00 12.00 156
C A 0006 GLU OE1 10.41 C A 0037 HIS ND1
C A 0006 GLU OE1 8.440 C A 0037 HIS NE2
C A 0006 GLU OE2 11.17 C A 0037 HIS ND1
C A 0006 GLU OE2 9.037 C A 0037 HIS NE2
C A 0006 GLU OE1 7.109 E A 0044 HIS ND1
C A 0006 GLU OE1 5.043 E A 0044 HIS NE2
C A 0006 GLU OE2 8.909 E A 0044 HIS ND1
C A 0006 GLU OE2 6.749 E A 0044 HIS NE2
C A 0006 GLU OE1 2.801 H A 0090 ARG NH1
C A 0006 GLU OE1 2.766 H A 0090 ARG NH2
C A 0006 GLU OE2 4.886 H A 0090 ARG NH1
C A 0006 GLU OE2 4.511 H A 0090 ARG NH2
C A 0006 GLU OE1 11.20 H A 0098 LYS NZ
C A 0006 GLU OE2 11.77 H A 0098 LYS NZ
C A 0009 GLU OE1 8.830 C A 0037 HIS ND1
C A 0009 GLU OE1 10.09 C A 0037 HIS NE2
C A 0009 GLU OE2 7.139 C A 0037 HIS ND1
C A 0009 GLU OE2 8.511 C A 0037 HIS NE2
C A 0009 GLU OE1 11.08 H A 0068 LYS NZ
C A 0009 GLU OE1 10.24 E A 0087 LYS NZ
C A 0009 GLU OE2 11.86 E A 0087 LYS NZ
C A 0009 GLU OE1 8.002 H A 0089 HIS ND1
C A 0009 GLU OE1 9.086 H A 0089 HIS NE2
C A 0009 GLU OE2 9.628 H A 0089 HIS ND1
C A 0009 GLU OE2 10.82 H A 0089 HIS NE2
H A 0026 ASP OD1 11.10 C A 0073 LYS NZ
H A 0026 ASP OD2 10.72 C A 0073 LYS NZ
H A 0026 ASP OD2 11.93 C A 0081 ARG NH1
H A 0026 ASP OD2 11.77 C A 0081 ARG NH2
C A 0033 ASP OD1 4.654 H A 0072 LYS NZ
C A 0033 ASP OD2 2.785 H A 0072 LYS NZ
C A 0033 ASP OD1 2.753 C A 0073 LYS NZ
C A 0033 ASP OD2 3.563 C A 0073 LYS NZ
C A 0038 ASP OD1 7.906 C A 0037 HIS ND1
C A 0038 ASP OD1 7.356 C A 0037 HIS NE2
C A 0038 ASP OD2 8.398 C A 0037 HIS ND1
C A 0038 ASP OD2 7.801 C A 0037 HIS NE2
C A 0038 ASP OD1 11.56 E A 0044 HIS NE2
C A 0038 ASP OD2 11.13 E A 0044 HIS ND1
C A 0038 ASP OD2 10.33 E A 0044 HIS NE2
C A 0050 GLU OE1 9.246 C A 0049 ARG NH1
C A 0050 GLU OE1 10.26 C A 0049 ARG NH2
C A 0050 GLU OE2 11.21 C A 0049 ARG NH1
C A 0050 GLU OE1 3.540 C A 0052 ARG NH1
C A 0050 GLU OE1 3.855 C A 0052 ARG NH2
C A 0050 GLU OE2 2.798 C A 0052 ARG NH1
C A 0050 GLU OE2 2.803 C A 0052 ARG NH2
C A 0050 GLU OE1 11.79 C A 0099 HIS ND1
C A 0050 GLU OE1 11.46 C A 0099 HIS NE2
E A 0056 GLU OE1 4.645 E A 0014 LYS NZ
E A 0056 GLU OE2 2.735 E A 0014 LYS NZ
E A 0056 GLU OE1 6.311 E A 0016 ARG NH1
E A 0056 GLU OE1 8.292 E A 0016 ARG NH2
E A 0056 GLU OE2 4.835 E A 0016 ARG NH1
E A 0056 GLU OE2 6.540 E A 0016 ARG NH2
E A 0056 GLU OE1 8.815 C A 0049 ARG NH1
E A 0056 GLU OE1 7.456 C A 0049 ARG NH2
E A 0056 GLU OE2 10.00 C A 0049 ARG NH1
E A 0056 GLU OE2 8.443 C A 0049 ARG NH2
E A 0056 GLU OE1 11.00 C A 0081 ARG NH2
E A 0056 GLU OE2 11.02 C A 0081 ARG NH2
E A 0056 GLU OE1 11.90 C A 0099 HIS NE2
E A 0060 GLU OE1 5.440 C A 0037 HIS ND1
E A 0060 GLU OE1 4.264 C A 0037 HIS NE2
E A 0060 GLU OE2 7.368 C A 0037 HIS ND1
E A 0060 GLU OE2 6.211 C A 0037 HIS NE2
E A 0060 GLU OE1 6.186 E A 0044 HIS ND1
E A 0060 GLU OE1 5.100 E A 0044 HIS NE2
E A 0060 GLU OE2 5.559 E A 0044 HIS ND1
E A 0060 GLU OE2 4.536 E A 0044 HIS NE2
E A 0060 GLU OE1 11.01 H A 0089 HIS ND1
E A 0060 GLU OE2 10.01 H A 0089 HIS ND1
E A 0060 GLU OE2 11.69 H A 0089 HIS NE2
E A 0060 GLU OE1 4.414 H A 0090 ARG NH1
E A 0060 GLU OE1 6.596 H A 0090 ARG NH2
E A 0060 GLU OE2 2.776 H A 0090 ARG NH1
E A 0060 GLU OE2 4.919 H A 0090 ARG NH2
H A 0064 GLU OE1 2.864 H A 0068 LYS NZ
H A 0064 GLU OE2 4.922 H A 0068 LYS NZ
H A 0064 GLU OE1 5.000 E A 0087 LYS NZ
H A 0064 GLU OE2 2.870 E A 0087 LYS NZ
H A 0064 GLU OE1 8.651 H A 0089 HIS ND1
H A 0064 GLU OE1 7.262 H A 0089 HIS NE2
H A 0064 GLU OE2 6.633 H A 0089 HIS ND1
H A 0064 GLU OE2 5.106 H A 0089 HIS NE2
H A 0065 ASP OD1 2.873 H A 0068 LYS NZ
H A 0065 ASP OD2 5.018 H A 0068 LYS NZ
H A 0065 ASP OD1 11.09 H A 0072 LYS NZ
H A 0065 ASP OD2 10.92 H A 0072 LYS NZ
H A 0065 ASP OD1 10.19 E A 0087 LYS NZ
H A 0066 ASP OD1 10.35 C A 0037 HIS ND1
H A 0066 ASP OD2 9.267 C A 0037 HIS ND1
H A 0066 ASP OD2 11.21 C A 0037 HIS NE2
H A 0066 ASP OD1 10.07 H A 0068 LYS NZ
H A 0066 ASP OD2 8.974 H A 0068 LYS NZ
H A 0066 ASP OD1 8.631 H A 0072 LYS NZ
H A 0066 ASP OD2 10.13 H A 0072 LYS NZ
H A 0066 ASP OD1 11.33 C A 0073 LYS NZ
C A 0074 ASP OD1 10.80 E A 0016 ARG NH2
C A 0074 ASP OD2 11.47 E A 0016 ARG NH1
C A 0074 ASP OD2 9.493 E A 0016 ARG NH2
C A 0074 ASP OD1 10.76 H A 0072 LYS NZ
C A 0074 ASP OD2 11.95 H A 0072 LYS NZ
C A 0074 ASP OD1 11.08 C A 0073 LYS NZ
C A 0074 ASP OD1 2.988 E A 0075 ARG NH1
C A 0074 ASP OD1 3.990 E A 0075 ARG NH2
C A 0074 ASP OD2 3.110 E A 0075 ARG NH1
C A 0074 ASP OD2 2.791 E A 0075 ARG NH2
E A 0076 GLU OE1 10.72 H A 0072 LYS NZ
E A 0076 GLU OE2 9.673 H A 0072 LYS NZ
E A 0076 GLU OE1 7.102 C A 0073 LYS NZ
E A 0076 GLU OE2 7.182 C A 0073 LYS NZ
E A 0076 GLU OE1 10.15 E A 0075 ARG NH1
E A 0076 GLU OE1 11.60 E A 0075 ARG NH2
E A 0076 GLU OE2 8.928 E A 0075 ARG NH1
E A 0076 GLU OE2 10.55 E A 0075 ARG NH2
E A 0084 GLU OE1 7.773 E A 0014 LYS NZ
E A 0084 GLU OE2 9.212 E A 0014 LYS NZ
E A 0084 GLU OE1 4.536 E A 0016 ARG NH1
E A 0084 GLU OE1 2.756 E A 0016 ARG NH2
E A 0084 GLU OE2 6.470 E A 0016 ARG NH1
E A 0084 GLU OE2 4.388 E A 0016 ARG NH2
E A 0084 GLU OE1 6.482 E A 0075 ARG NH1
E A 0084 GLU OE1 4.919 E A 0075 ARG NH2
E A 0084 GLU OE2 4.556 E A 0075 ARG NH1
E A 0084 GLU OE2 2.805 E A 0075 ARG NH2
E A 0084 GLU OE1 9.972 C A 0081 ARG NH2
E A 0084 GLU OE2 11.66 C A 0081 ARG NH2
H A 0092 GLU OE1 7.276 E A 0014 LYS NZ
H A 0092 GLU OE2 7.181 E A 0014 LYS NZ
H A 0092 GLU OE1 11.80 E A 0016 ARG NH1
H A 0092 GLU OE1 11.76 E A 0016 ARG NH2
H A 0092 GLU OE2 11.17 E A 0016 ARG NH1
H A 0092 GLU OE2 11.25 E A 0016 ARG NH2
H A 0092 GLU OE1 10.84 E A 0044 HIS ND1
H A 0092 GLU OE1 11.22 C A 0049 ARG NH2
H A 0092 GLU OE2 10.54 C A 0049 ARG NH2
H A 0092 GLU OE1 9.084 E A 0087 LYS NZ
H A 0092 GLU OE2 10.51 E A 0087 LYS NZ
H A 0092 GLU OE1 8.308 H A 0089 HIS ND1
H A 0092 GLU OE1 8.165 H A 0089 HIS NE2
H A 0092 GLU OE2 9.793 H A 0089 HIS ND1
H A 0092 GLU OE2 9.553 H A 0089 HIS NE2
H A 0094 ASP OD1 10.43 E A 0044 HIS ND1
H A 0094 ASP OD1 9.569 E A 0044 HIS NE2
H A 0094 ASP OD2 8.861 E A 0044 HIS ND1
H A 0094 ASP OD2 7.811 E A 0044 HIS NE2
H A 0094 ASP OD1 11.30 C A 0049 ARG NH1
H A 0094 ASP OD1 11.88 C A 0049 ARG NH2
H A 0094 ASP OD1 6.751 H A 0090 ARG NH1
H A 0094 ASP OD1 4.870 H A 0090 ARG NH2
H A 0094 ASP OD2 4.576 H A 0090 ARG NH1
H A 0094 ASP OD2 2.793 H A 0090 ARG NH2
H A 0094 ASP OD1 5.782 H A 0098 LYS NZ
H A 0094 ASP OD2 7.622 H A 0098 LYS NZ
H A 0094 ASP OD1 11.35 C A 0099 HIS ND1
CHARGE_REPU 2.00 12.00 121
C A 0006 GLU OE1 5.933 E A 0060 GLU OE1
C A 0006 GLU OE1 5.080 E A 0060 GLU OE2
C A 0006 GLU OE2 7.445 E A 0060 GLU OE1
C A 0006 GLU OE2 6.999 E A 0060 GLU OE2
C A 0006 GLU OE1 7.337 H A 0094 ASP OD1
C A 0006 GLU OE1 5.453 H A 0094 ASP OD2
C A 0006 GLU OE2 8.529 H A 0094 ASP OD1
C A 0006 GLU OE2 6.913 H A 0094 ASP OD2
C A 0009 GLU OE1 10.73 E A 0060 GLU OE1
C A 0009 GLU OE1 11.07 E A 0060 GLU OE2
C A 0009 GLU OE2 9.927 E A 0060 GLU OE1
C A 0009 GLU OE2 10.64 E A 0060 GLU OE2
C A 0009 GLU OE1 9.542 H A 0064 GLU OE1
C A 0009 GLU OE1 9.117 H A 0064 GLU OE2
C A 0009 GLU OE2 10.86 H A 0064 GLU OE1
C A 0009 GLU OE2 10.62 H A 0064 GLU OE2
C A 0009 GLU OE1 11.44 H A 0065 ASP OD1
C A 0009 GLU OE2 11.94 H A 0065 ASP OD1
C A 0009 GLU OE1 11.51 H A 0066 ASP OD2
C A 0009 GLU OE2 10.75 H A 0066 ASP OD2
E A 0014 LYS NZ 5.751 E A 0016 ARG NH1
E A 0014 LYS NZ 6.691 E A 0016 ARG NH2
E A 0014 LYS NZ 11.68 E A 0044 HIS ND1
E A 0014 LYS NZ 10.39 C A 0049 ARG NH1
E A 0014 LYS NZ 8.792 C A 0049 ARG NH2
E A 0014 LYS NZ 11.33 E A 0075 ARG NH2
E A 0016 ARG NH1 10.95 E A 0075 ARG NH1
E A 0016 ARG NH1 9.252 E A 0075 ARG NH2
E A 0016 ARG NH2 8.891 E A 0075 ARG NH1
E A 0016 ARG NH2 7.153 E A 0075 ARG NH2
E A 0016 ARG NH1 9.869 C A 0081 ARG NH2
E A 0016 ARG NH2 10.52 C A 0081 ARG NH2
H A 0025 GLU OE1 8.167 H A 0026 ASP OD1
H A 0025 GLU OE1 8.618 H A 0026 ASP OD2
H A 0025 GLU OE2 10.07 H A 0026 ASP OD1
H A 0025 GLU OE2 10.66 H A 0026 ASP OD2
H A 0025 GLU OE1 11.61 C A 0038 ASP OD2
H A 0025 GLU OE2 10.71 C A 0038 ASP OD2
H A 0026 ASP OD1 11.95 C A 0033 ASP OD1
H A 0026 ASP OD2 11.72 C A 0033 ASP OD1
C A 0033 ASP OD1 9.152 H A 0066 ASP OD1
C A 0033 ASP OD1 11.22 H A 0066 ASP OD2
C A 0033 ASP OD2 9.171 H A 0066 ASP OD1
C A 0033 ASP OD2 11.04 H A 0066 ASP OD2
C A 0033 ASP OD1 9.834 E A 0076 GLU OE1
C A 0033 ASP OD1 9.769 E A 0076 GLU OE2
C A 0033 ASP OD2 9.947 E A 0076 GLU OE1
C A 0033 ASP OD2 9.424 E A 0076 GLU OE2
C A 0037 HIS ND1 11.10 E A 0044 HIS ND1
C A 0037 HIS ND1 10.19 E A 0044 HIS NE2
C A 0037 HIS NE2 10.03 E A 0044 HIS ND1
C A 0037 HIS NE2 8.762 E A 0044 HIS NE2
C A 0037 HIS ND1 9.399 H A 0090 ARG NH1
C A 0037 HIS ND1 11.40 H A 0090 ARG NH2
C A 0037 HIS NE2 7.809 H A 0090 ARG NH1
C A 0037 HIS NE2 9.714 H A 0090 ARG NH2
C A 0038 ASP OD1 9.759 E A 0060 GLU OE1
C A 0038 ASP OD1 11.79 E A 0060 GLU OE2
C A 0038 ASP OD2 9.267 E A 0060 GLU OE1
C A 0038 ASP OD2 11.20 E A 0060 GLU OE2
E A 0044 HIS ND1 6.161 H A 0090 ARG NH1
E A 0044 HIS ND1 7.421 H A 0090 ARG NH2
E A 0044 HIS NE2 4.586 H A 0090 ARG NH1
E A 0044 HIS NE2 5.869 H A 0090 ARG NH2
C A 0049 ARG NH1 9.115 H A 0098 LYS NZ
C A 0049 ARG NH2 10.30 H A 0098 LYS NZ
C A 0049 ARG NH1 5.365 C A 0099 HIS ND1
C A 0049 ARG NH1 5.263 C A 0099 HIS NE2
C A 0049 ARG NH2 5.943 C A 0099 HIS ND1
C A 0049 ARG NH2 5.087 C A 0099 HIS NE2
C A 0050 GLU OE1 11.80 E A 0056 GLU OE1
E A 0056 GLU OE1 9.812 E A 0084 GLU OE1
E A 0056 GLU OE1 11.80 E A 0084 GLU OE2
E A 0056 GLU OE2 7.983 E A 0084 GLU OE1
E A 0056 GLU OE2 9.858 E A 0084 GLU OE2
E A 0056 GLU OE1 11.43 H A 0092 GLU OE1
E A 0056 GLU OE1 11.02 H A 0092 GLU OE2
E A 0056 GLU OE2 9.883 H A 0092 GLU OE1
E A 0056 GLU OE2 9.541 H A 0092 GLU OE2
E A 0060 GLU OE2 11.43 H A 0092 GLU OE1
E A 0060 GLU OE1 11.02 H A 0094 ASP OD1
E A 0060 GLU OE1 8.843 H A 0094 ASP OD2
E A 0060 GLU OE2 8.988 H A 0094 ASP OD1
E A 0060 GLU OE2 6.854 H A 0094 ASP OD2
H A 0064 GLU OE1 5.387 H A 0065 ASP OD1
H A 0064 GLU OE1 7.569 H A 0065 ASP OD2
H A 0064 GLU OE2 7.438 H A 0065 ASP OD1
H A 0064 GLU OE2 9.620 H A 0065 ASP OD2
H A 0064 GLU OE1 11.51 H A 0066 ASP OD1
H A 0064 GLU OE1 10.27 H A 0066 ASP OD2
H A 0064 GLU OE2 11.16 H A 0066 ASP OD2
H A 0064 GLU OE2 11.66 H A 0092 GLU OE1
H A 0065 ASP OD1 8.915 H A 0066 ASP OD1
H A 0065 ASP OD1 7.665 H A 0066 ASP OD2
H A 0065 ASP OD2 8.804 H A 0066 ASP OD1
H A 0065 ASP OD2 7.628 H A 0066 ASP OD2
H A 0068 LYS NZ 11.57 H A 0072 LYS NZ
H A 0068 LYS NZ 7.566 E A 0087 LYS NZ
H A 0068 LYS NZ 11.28 H A 0089 HIS ND1
H A 0068 LYS NZ 9.987 H A 0089 HIS NE2
H A 0072 LYS NZ 5.447 C A 0073 LYS NZ
C A 0074 ASP OD1 9.183 E A 0076 GLU OE1
C A 0074 ASP OD1 7.671 E A 0076 GLU OE2
C A 0074 ASP OD2 11.09 E A 0076 GLU OE1
C A 0074 ASP OD2 9.728 E A 0076 GLU OE2
C A 0074 ASP OD1 8.258 E A 0084 GLU OE1
C A 0074 ASP OD1 6.486 E A 0084 GLU OE2
C A 0074 ASP OD2 7.216 E A 0084 GLU OE1
C A 0074 ASP OD2 5.302 E A 0084 GLU OE2
C A 0080 HIS ND1 5.254 C A 0081 ARG NH1
C A 0080 HIS ND1 7.282 C A 0081 ARG NH2
C A 0080 HIS NE2 7.378 C A 0081 ARG NH1
C A 0080 HIS NE2 9.425 C A 0081 ARG NH2
E A 0087 LYS NZ 5.096 H A 0089 HIS ND1
E A 0087 LYS NZ 3.083 H A 0089 HIS NE2
H A 0089 HIS ND1 11.52 H A 0090 ARG NH1
H A 0090 ARG NH1 11.57 H A 0098 LYS NZ
H A 0090 ARG NH2 9.590 H A 0098 LYS NZ
H A 0092 GLU OE1 11.76 H A 0094 ASP OD2
H A 0098 LYS NZ 7.300 C A 0099 HIS ND1
H A 0098 LYS NZ 9.239 C A 0099 HIS NE2
HB_MM 2.00 3.20 169
C A 0002 MET N 2.249 C A 0001 MET O
C A 0003 LEU N 2.253 C A 0002 MET O
C A 0004 GLY N 2.243 C A 0003 LEU O
C A 0005 PRO N 2.267 C A 0004 GLY O
C A 0006 GLU N 2.253 C A 0005 PRO O
C A 0007 GLY N 2.248 C A 0006 GLU O
C A 0008 GLY N 2.248 C A 0007 GLY O
C A 0009 GLU N 2.846 C A 0007 GLY O
C A 0009 GLU N 2.268 C A 0008 GLY O
C A 0010 GLY N 2.687 C A 0008 GLY O
C A 0010 GLY N 2.232 C A 0009 GLU O
C A 0011 PHE N 2.984 C A 0008 GLY O
C A 0011 PHE N 2.237 C A 0010 GLY O
E A 0012 VAL N 3.008 C A 0010 GLY O
E A 0012 VAL N 2.229 C A 0011 PHE O
E A 0013 VAL N 2.248 E A 0012 VAL O
E A 0013 VAL N 2.807 E A 0059 VAL O
E A 0014 LYS N 2.237 E A 0013 VAL O
E A 0014 LYS N 2.783 E A 0086 PHE O
E A 0015 LEU N 2.239 E A 0014 LYS O
E A 0015 LEU N 2.791 E A 0057 ALA O
E A 0016 ARG N 2.249 E A 0015 LEU O
E A 0016 ARG N 2.899 E A 0084 GLU O
C A 0017 GLY N 2.243 E A 0016 ARG O
C A 0017 GLY N 2.815 E A 0055 GLY O
C A 0018 LEU N 2.277 C A 0017 GLY O
C A 0018 LEU N 2.854 E A 0082 TYR O
C A 0019 PRO N 2.246 C A 0018 LEU O
C A 0020 TRP N 2.253 C A 0019 PRO O
C A 0021 SER N 3.040 C A 0019 PRO O
C A 0021 SER N 2.238 C A 0020 TRP O
C A 0022 CYS N 2.248 C A 0021 SER O
H A 0023 SER N 2.257 C A 0022 CYS O
H A 0024 VAL N 2.222 H A 0023 SER O
H A 0025 GLU N 3.012 H A 0023 SER O
H A 0025 GLU N 2.217 H A 0024 VAL O
H A 0026 ASP N 2.811 H A 0023 SER O
H A 0026 ASP N 3.187 H A 0024 VAL O
H A 0026 ASP N 2.244 H A 0025 GLU O
H A 0027 VAL N 2.950 H A 0024 VAL O
H A 0027 VAL N 2.245 H A 0026 ASP O
H A 0028 GLN N 2.997 H A 0024 VAL O
H A 0028 GLN N 2.252 H A 0027 VAL O
H A 0029 ASN N 3.126 H A 0025 GLU O
H A 0029 ASN N 2.241 H A 0028 GLN O
H A 0030 PHE N 2.856 H A 0026 ASP O
H A 0030 PHE N 2.251 H A 0029 ASN O
H A 0031 LEU N 2.891 H A 0027 VAL O
H A 0031 LEU N 2.260 H A 0030 PHE O
C A 0032 SER N 2.976 H A 0028 GLN O
C A 0032 SER N 2.252 H A 0031 LEU O
C A 0033 ASP N 3.154 H A 0031 LEU O
C A 0033 ASP N 2.247 C A 0032 SER O
C A 0034 CYS N 2.886 H A 0031 LEU O
C A 0034 CYS N 2.250 C A 0033 ASP O
C A 0035 THR N 2.248 C A 0034 CYS O
C A 0036 ILE N 2.269 C A 0035 THR O
C A 0037 HIS N 2.205 C A 0036 ILE O
C A 0038 ASP N 2.858 C A 0036 ILE O
C A 0038 ASP N 2.226 C A 0037 HIS O
C A 0039 GLY N 2.263 C A 0038 ASP O
C A 0040 ALA N 2.255 C A 0039 GLY O
C A 0041 ALA N 2.234 C A 0040 ALA O
C A 0042 GLY N 2.979 C A 0040 ALA O
C A 0042 GLY N 2.250 C A 0041 ALA O
E A 0043 VAL N 2.231 C A 0042 GLY O
E A 0044 HIS N 2.260 E A 0043 VAL O
E A 0044 HIS N 2.861 E A 0058 PHE O
E A 0045 PHE N 2.244 E A 0044 HIS O
E A 0046 ILE N 2.249 E A 0045 PHE O
E A 0046 ILE N 2.952 E A 0056 GLU O
E A 0047 TYR N 2.258 E A 0046 ILE O
C A 0048 THR N 2.249 E A 0047 TYR O
C A 0048 THR N 2.848 C A 0052 ARG O
C A 0049 ARG N 3.025 E A 0047 TYR O
C A 0049 ARG N 2.275 C A 0048 THR O
C A 0050 GLU N 2.249 C A 0049 ARG O
C A 0051 GLY N 2.250 C A 0050 GLU O
C A 0052 ARG N 2.257 C A 0051 GLY O
E A 0053 GLN N 2.253 C A 0052 ARG O
E A 0054 SER N 2.900 E A 0046 ILE O
E A 0054 SER N 2.242 E A 0053 GLN O
E A 0055 GLY N 2.243 E A 0054 SER O
E A 0056 GLU N 2.940 E A 0054 SER O
E A 0056 GLU N 2.243 E A 0055 GLY O
E A 0057 ALA N 2.812 E A 0015 LEU O
E A 0057 ALA N 2.250 E A 0056 GLU O
E A 0058 PHE N 2.914 E A 0044 HIS O
E A 0058 PHE N 2.241 E A 0057 ALA O
E A 0059 VAL N 2.754 E A 0013 VAL O
E A 0059 VAL N 2.229 E A 0058 PHE O
E A 0060 GLU N 2.749 C A 0042 GLY O
E A 0060 GLU N 2.237 E A 0059 VAL O
C A 0061 LEU N 2.784 C A 0011 PHE O
C A 0061 LEU N 3.040 E A 0059 VAL O
C A 0061 LEU N 2.239 E A 0060 GLU O
C A 0062 GLY N 2.236 C A 0061 LEU O
H A 0063 SER N 2.255 C A 0062 GLY O
H A 0064 GLU N 2.221 H A 0063 SER O
H A 0065 ASP N 2.211 H A 0064 GLU O
H A 0066 ASP N 3.157 H A 0063 SER O
H A 0066 ASP N 2.234 H A 0065 ASP O
H A 0067 VAL N 3.073 H A 0063 SER O
H A 0067 VAL N 2.237 H A 0066 ASP O
H A 0068 LYS N 3.076 H A 0064 GLU O
H A 0068 LYS N 2.249 H A 0067 VAL O
H A 0069 MET N 2.897 H A 0065 ASP O
H A 0069 MET N 3.120 H A 0066 ASP O
H A 0069 MET N 2.245 H A 0068 LYS O
H A 0070 ALA N 2.992 H A 0066 ASP O
H A 0070 ALA N 3.010 H A 0067 VAL O
H A 0070 ALA N 2.260 H A 0069 MET O
H A 0071 LEU N 2.847 H A 0067 VAL O
H A 0071 LEU N 3.144 H A 0068 LYS O
H A 0071 LEU N 2.241 H A 0070 ALA O
H A 0072 LYS N 3.071 H A 0068 LYS O
H A 0072 LYS N 2.249 H A 0071 LEU O
C A 0073 LYS N 3.135 H A 0070 ALA O
C A 0073 LYS N 3.035 H A 0071 LEU O
C A 0073 LYS N 2.262 H A 0072 LYS O
C A 0074 ASP N 3.077 H A 0071 LEU O
C A 0074 ASP N 2.235 C A 0073 LYS O
E A 0075 ARG N 2.743 C A 0073 LYS O
E A 0075 ARG N 2.240 C A 0074 ASP O
E A 0076 GLU N 2.920 C A 0073 LYS O
E A 0076 GLU N 2.246 E A 0075 ARG O
E A 0077 SER N 2.239 E A 0076 GLU O
C A 0078 MET N 2.253 E A 0077 SER O
C A 0078 MET N 3.094 C A 0081 ARG O
C A 0079 GLY N 2.256 C A 0078 MET O
C A 0080 HIS N 2.241 C A 0079 GLY O
C A 0081 ARG N 2.916 C A 0079 GLY O
C A 0081 ARG N 2.236 C A 0080 HIS O
E A 0082 TYR N 2.254 C A 0081 ARG O
E A 0083 ILE N 2.816 E A 0076 GLU O
E A 0083 ILE N 2.238 E A 0082 TYR O
E A 0084 GLU N 2.784 E A 0016 ARG O
E A 0084 GLU N 2.238 E A 0083 ILE O
E A 0085 VAL N 2.253 E A 0084 GLU O
E A 0086 PHE N 2.884 E A 0014 LYS O
E A 0086 PHE N 2.241 E A 0085 VAL O
E A 0087 LYS N 2.236 E A 0086 PHE O
C A 0088 SER N 2.911 E A 0012 VAL O
C A 0088 SER N 2.249 E A 0087 LYS O
H A 0089 HIS N 2.240 C A 0088 SER O
H A 0090 ARG N 2.254 H A 0089 HIS O
H A 0091 THR N 3.152 H A 0089 HIS O
H A 0091 THR N 2.236 H A 0090 ARG O
H A 0092 GLU N 3.106 H A 0089 HIS O
H A 0092 GLU N 2.243 H A 0091 THR O
H A 0093 MET N 3.022 H A 0089 HIS O
H A 0093 MET N 3.162 H A 0090 ARG O
H A 0093 MET N 2.227 H A 0092 GLU O
H A 0094 ASP N 2.842 H A 0090 ARG O
H A 0094 ASP N 3.175 H A 0092 GLU O
H A 0094 ASP N 2.234 H A 0093 MET O
H A 0095 TRP N 2.991 H A 0092 GLU O
H A 0095 TRP N 2.249 H A 0094 ASP O
H A 0096 VAL N 3.037 H A 0092 GLU O
H A 0096 VAL N 2.245 H A 0095 TRP O
H A 0097 LEU N 3.191 H A 0093 MET O
H A 0097 LEU N 2.246 H A 0096 VAL O
H A 0098 LYS N 3.195 H A 0095 TRP O
H A 0098 LYS N 2.246 H A 0097 LEU O
C A 0099 HIS N 3.042 H A 0097 LEU O
C A 0099 HIS N 2.262 H A 0098 LYS O
C A 0100 SER N 2.236 C A 0099 HIS O
C A 0101 GLY N 2.247 C A 0100 SER O
C A 0102 PRO N 2.272 C A 0101 GLY O
HB_MS 2.00 3.20 24
C A 0001 MET N 2.871 C A 0038 ASP OD1
C A 0001 MET N 2.911 C A 0038 ASP OD2
C A 0002 MET N 2.687 C A 0038 ASP OD1
C A 0003 LEU N 2.965 C A 0038 ASP OD1
C A 0007 GLY N 2.878 E A 0060 GLU OE1
C A 0008 GLY N 2.864 E A 0060 GLU OE1
H A 0029 ASN O 3.012 C A 0032 SER OG
H A 0030 PHE O 2.862 C A 0073 LYS NZ
C A 0035 THR N 2.840 H A 0066 ASP OD1
C A 0039 GLY O 3.011 H A 0028 GLN NE2
C A 0039 GLY N 3.146 C A 0038 ASP OD2
C A 0040 ALA N 2.927 C A 0038 ASP OD2
C A 0041 ALA N 2.838 C A 0038 ASP OD2
C A 0051 GLY N 3.023 C A 0050 GLU OE1
E A 0055 GLY N 2.952 E A 0054 SER OG
E A 0058 PHE O 2.957 E A 0044 HIS ND1
H A 0063 SER N 3.162 H A 0066 ASP OD2
H A 0064 GLU O 2.865 H A 0068 LYS NZ
H A 0066 ASP N 2.984 H A 0063 SER OG
H A 0069 MET O 2.908 H A 0072 LYS NZ
H A 0089 HIS N 2.951 C A 0088 SER OG
H A 0096 VAL O 2.889 C A 0049 ARG NH1
H A 0096 VAL O 2.848 C A 0049 ARG NH2
C A 0102 PRO O 2.938 H A 0098 LYS NZ
HB_SS 2.00 3.20 5
H A 0025 GLU OE1 2.634 H A 0023 SER OG
C A 0050 GLU OE1 2.654 C A 0048 THR OG1
H A 0066 ASP OD1 2.743 C A 0035 THR OG1
H A 0066 ASP OD2 2.687 H A 0063 SER OG
H A 0092 GLU OE1 2.692 C A 0088 SER OG
AROMATIC 0.00 8.00 10
C A 0081 ARG 6.135 C A 0020 TRP
C A 0081 ARG 6.448 C A 0080 HIS
C A 0081 ARG 5.571 E A 0082 TYR
H A 0090 ARG 5.642 E A 0044 HIS
C A 0049 ARG 5.621 H A 0095 TRP
E A 0016 ARG 4.796 E A 0086 PHE
E A 0075 ARG 5.922 E A 0086 PHE
E A 0014 LYS 4.960 E A 0058 PHE
C A 0049 ARG 4.620 C A 0099 HIS
E A 0087 LYS 4.191 H A 0089 HIS