Complet list of 1ehj con file
Complete list of 1ehj.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 261
C A 0001 ALA C 2.498 C A 0002 ASP CA
C A 0001 ALA C 3.357 C A 0002 ASP C
C A 0001 ALA C 3.630 C A 0002 ASP CB
C A 0002 ASP C 2.450 C A 0003 VAL CA
C A 0002 ASP C 3.478 C A 0003 VAL C
C A 0002 ASP C 3.460 C A 0003 VAL CB
C A 0002 ASP CA 3.369 H A 0018 LYS CB
C A 0002 ASP C 3.770 H A 0018 LYS CB
C A 0002 ASP CB 3.346 H A 0018 LYS CB
C A 0002 ASP CB 3.691 H A 0018 LYS CD
C A 0003 VAL C 2.469 E A 0004 VAL CA
C A 0003 VAL C 3.504 E A 0004 VAL C
C A 0003 VAL C 3.466 E A 0004 VAL CB
C A 0003 VAL C 3.486 E A 0004 VAL CG2
C A 0003 VAL CG2 3.665 E A 0014 THR CG2
E A 0004 VAL CA 3.748 E A 0005 THR CA
E A 0004 VAL C 2.409 E A 0005 THR CA
E A 0004 VAL C 3.595 E A 0005 THR C
E A 0004 VAL C 3.291 E A 0005 THR CB
E A 0004 VAL C 3.795 E A 0015 PHE CD1
E A 0004 VAL CB 3.455 E A 0015 PHE CE1
E A 0004 VAL CB 3.762 E A 0015 PHE CE2
E A 0004 VAL CB 3.352 E A 0015 PHE CZ
E A 0004 VAL CG1 3.300 E A 0015 PHE CE1
E A 0004 VAL CG1 3.303 E A 0015 PHE CZ
E A 0005 THR CA 3.780 E A 0006 TYR CA
E A 0005 THR C 2.451 E A 0006 TYR CA
E A 0005 THR C 3.132 E A 0006 TYR C
E A 0005 THR C 3.719 E A 0006 TYR CB
E A 0006 TYR C 2.452 C A 0007 GLU CA
E A 0006 TYR C 3.136 C A 0007 GLU C
E A 0006 TYR C 3.713 C A 0007 GLU CB
E A 0006 TYR CD2 3.299 E A 0015 PHE CE1
E A 0006 TYR CE2 3.097 E A 0015 PHE CE1
E A 0006 TYR CE2 3.335 E A 0015 PHE CZ
C A 0007 GLU C 2.485 C A 0008 ASN CA
C A 0007 GLU C 3.284 C A 0008 ASN C
C A 0007 GLU C 3.664 C A 0008 ASN CB
C A 0007 GLU CA 3.723 C A 0012 ASN CG
C A 0008 ASN C 2.447 C A 0009 LYS CA
C A 0008 ASN C 3.092 C A 0009 LYS C
C A 0008 ASN C 3.706 C A 0009 LYS CB
C A 0009 LYS C 2.460 C A 0010 LYS CA
C A 0009 LYS C 2.940 C A 0010 LYS C
C A 0009 LYS C 3.753 C A 0010 LYS CB
C A 0010 LYS CA 3.738 C A 0011 GLY CA
C A 0010 LYS C 2.445 C A 0011 GLY CA
C A 0010 LYS C 3.613 C A 0011 GLY C
C A 0011 GLY CA 3.781 C A 0012 ASN CA
C A 0011 GLY C 2.445 C A 0012 ASN CA
C A 0011 GLY C 2.977 C A 0012 ASN C
C A 0011 GLY C 3.719 C A 0012 ASN CB
C A 0011 GLY CA 3.727 C A 0068 LYS CB
C A 0012 ASN C 2.451 E A 0013 VAL CA
C A 0012 ASN C 3.274 E A 0013 VAL C
C A 0012 ASN C 3.645 E A 0013 VAL CB
E A 0013 VAL CA 3.798 E A 0014 THR CA
E A 0013 VAL C 2.445 E A 0014 THR CA
E A 0013 VAL C 3.063 E A 0014 THR C
E A 0013 VAL C 3.699 E A 0014 THR CB
E A 0013 VAL CG2 3.608 C A 0066 HIS CG
E A 0013 VAL CG2 3.401 C A 0066 HIS CE1
E A 0014 THR CA 3.797 E A 0015 PHE CA
E A 0014 THR C 2.441 E A 0015 PHE CA
E A 0014 THR C 3.622 E A 0015 PHE C
E A 0014 THR C 3.291 E A 0015 PHE CB
E A 0015 PHE CA 3.797 H A 0016 ASP CA
E A 0015 PHE C 2.476 H A 0016 ASP CA
E A 0015 PHE C 3.076 H A 0016 ASP C
E A 0015 PHE C 3.697 H A 0016 ASP CB
H A 0016 ASP C 2.493 H A 0017 HIS CA
H A 0016 ASP C 2.970 H A 0017 HIS C
H A 0016 ASP C 3.677 H A 0017 HIS CB
H A 0016 ASP CB 3.425 H A 0019 ALA CB
H A 0017 HIS C 2.487 H A 0018 LYS CA
H A 0017 HIS C 2.993 H A 0018 LYS C
H A 0017 HIS C 3.723 H A 0018 LYS CB
H A 0018 LYS C 2.434 H A 0019 ALA CA
H A 0018 LYS C 2.939 H A 0019 ALA C
H A 0018 LYS C 3.705 H A 0019 ALA CB
H A 0019 ALA CA 3.800 H A 0020 HIS CA
H A 0019 ALA C 2.433 H A 0020 HIS CA
H A 0019 ALA C 2.900 H A 0020 HIS C
H A 0019 ALA C 3.710 H A 0020 HIS CB
H A 0019 ALA C 3.706 H A 0023 LYS CG
H A 0020 HIS C 2.434 H A 0021 ALA CA
H A 0020 HIS C 3.015 H A 0021 ALA C
H A 0020 HIS C 3.721 H A 0021 ALA CB
H A 0021 ALA C 2.452 H A 0022 GLU CA
H A 0021 ALA C 3.136 H A 0022 GLU C
H A 0021 ALA C 3.706 H A 0022 GLU CB
H A 0022 GLU C 2.465 H A 0023 LYS CA
H A 0022 GLU C 3.034 H A 0023 LYS C
H A 0022 GLU C 3.715 H A 0023 LYS CB
H A 0023 LYS C 2.457 H A 0024 LEU CA
H A 0023 LYS C 3.322 H A 0024 LEU C
H A 0023 LYS C 3.643 H A 0024 LEU CB
H A 0024 LEU C 2.460 H A 0025 GLY CA
H A 0024 LEU C 3.646 H A 0025 GLY C
H A 0025 GLY C 2.483 C A 0026 CYS CA
H A 0025 GLY C 3.722 C A 0026 CYS C
H A 0025 GLY C 3.040 C A 0026 CYS CB
C A 0026 CYS CA 3.792 C A 0027 ASP CA
C A 0026 CYS C 2.524 C A 0027 ASP CA
C A 0026 CYS C 2.963 C A 0027 ASP C
C A 0026 CYS C 3.671 C A 0027 ASP CB
C A 0027 ASP C 2.487 C A 0028 ALA CA
C A 0027 ASP C 2.970 C A 0028 ALA C
C A 0027 ASP C 3.678 C A 0028 ALA CB
C A 0028 ALA C 2.464 C A 0029 CYS CA
C A 0028 ALA C 3.571 C A 0029 CYS C
C A 0028 ALA C 3.421 C A 0029 CYS CB
C A 0029 CYS C 2.467 C A 0030 HIS CA
C A 0029 CYS C 3.485 C A 0030 HIS C
C A 0029 CYS C 3.509 C A 0030 HIS CB
C A 0029 CYS C 3.634 C A 0030 HIS CG
C A 0030 HIS C 2.446 C A 0031 GLU CA
C A 0030 HIS C 3.099 C A 0031 GLU C
C A 0030 HIS C 3.723 C A 0031 GLU CB
C A 0030 HIS CG 3.751 C A 0034 PRO CB
C A 0030 HIS CE1 3.466 C A 0034 PRO CB
C A 0030 HIS CE1 3.402 C A 0037 ILE CG1
C A 0030 HIS CE1 3.537 C A 0037 ILE CD1
C A 0031 GLU CA 3.786 C A 0032 GLY CA
C A 0031 GLU C 2.458 C A 0032 GLY CA
C A 0031 GLU C 3.157 C A 0032 GLY C
C A 0032 GLY C 2.467 C A 0033 THR CA
C A 0032 GLY C 3.664 C A 0033 THR C
C A 0032 GLY C 3.154 C A 0033 THR CB
C A 0033 THR CA 2.985 C A 0034 PRO CD
C A 0033 THR C 2.440 C A 0034 PRO CA
C A 0033 THR C 3.123 C A 0034 PRO C
C A 0033 THR C 3.638 C A 0034 PRO CB
C A 0033 THR C 3.680 C A 0034 PRO CG
C A 0033 THR C 2.498 C A 0034 PRO CD
C A 0033 THR CB 3.731 C A 0034 PRO CD
C A 0034 PRO C 2.459 C A 0035 ALA CA
C A 0034 PRO C 3.636 C A 0035 ALA C
C A 0034 PRO C 3.190 C A 0035 ALA CB
C A 0035 ALA CA 3.764 C A 0036 LYS CA
C A 0035 ALA C 2.466 C A 0036 LYS CA
C A 0035 ALA C 3.026 C A 0036 LYS C
C A 0035 ALA C 3.110 C A 0036 LYS CB
C A 0035 ALA C 3.633 C A 0036 LYS CG
C A 0036 LYS C 2.475 C A 0037 ILE CA
C A 0036 LYS C 3.597 C A 0037 ILE C
C A 0036 LYS C 3.440 C A 0037 ILE CB
C A 0036 LYS C 3.310 C A 0037 ILE CG1
C A 0037 ILE C 2.500 C A 0038 ALA CA
C A 0037 ILE C 3.161 C A 0038 ALA C
C A 0037 ILE C 3.057 C A 0038 ALA CB
C A 0037 ILE CG2 3.642 C A 0039 ILE CD1
C A 0038 ALA CA 3.797 C A 0039 ILE CA
C A 0038 ALA C 2.442 C A 0039 ILE CA
C A 0038 ALA C 3.167 C A 0039 ILE C
C A 0038 ALA C 3.663 C A 0039 ILE CB
C A 0039 ILE C 2.472 H A 0040 ASP CA
C A 0039 ILE C 3.309 H A 0040 ASP C
C A 0039 ILE C 3.677 H A 0040 ASP CB
C A 0039 ILE CD1 3.787 H A 0043 SER CB
C A 0039 ILE CG2 3.565 H A 0044 ALA CA
C A 0039 ILE CG2 3.547 H A 0044 ALA CB
C A 0039 ILE CD1 3.646 H A 0048 ALA CB
H A 0040 ASP C 2.478 H A 0041 LYS CA
H A 0040 ASP C 2.909 H A 0041 LYS C
H A 0040 ASP C 3.753 H A 0041 LYS CB
H A 0040 ASP CG 3.720 H A 0042 LYS CB
H A 0041 LYS C 2.449 H A 0042 LYS CA
H A 0041 LYS C 2.935 H A 0042 LYS C
H A 0041 LYS C 3.741 H A 0042 LYS CB
H A 0042 LYS C 2.442 H A 0043 SER CA
H A 0042 LYS C 2.954 H A 0043 SER C
H A 0042 LYS C 3.707 H A 0043 SER CB
H A 0043 SER C 2.504 H A 0044 ALA CA
H A 0043 SER C 2.995 H A 0044 ALA C
H A 0043 SER C 3.720 H A 0044 ALA CB
H A 0043 SER C 3.779 H A 0048 ALA CB
H A 0044 ALA CA 3.790 H A 0045 HIS CA
H A 0044 ALA C 2.435 H A 0045 HIS CA
H A 0044 ALA C 3.127 H A 0045 HIS C
H A 0044 ALA C 3.697 H A 0045 HIS CB
H A 0045 HIS C 2.448 H A 0046 LYS CA
H A 0045 HIS C 3.170 H A 0046 LYS C
H A 0045 HIS C 3.667 H A 0046 LYS CB
H A 0045 HIS CA 3.795 H A 0050 LYS CB
H A 0046 LYS C 2.463 H A 0047 ASP CA
H A 0046 LYS C 3.634 H A 0047 ASP C
H A 0046 LYS C 3.311 H A 0047 ASP CB
H A 0046 LYS C 3.544 H A 0047 ASP CG
H A 0046 LYS CD 3.539 H A 0047 ASP CB
H A 0046 LYS CD 3.669 H A 0047 ASP CG
H A 0047 ASP CA 3.764 H A 0048 ALA CA
H A 0047 ASP C 2.435 H A 0048 ALA CA
H A 0047 ASP C 3.614 H A 0048 ALA C
H A 0047 ASP C 3.233 H A 0048 ALA CB
H A 0047 ASP CA 3.691 H A 0051 THR CG2
H A 0048 ALA C 2.436 H A 0049 CYS CA
H A 0048 ALA C 3.053 H A 0049 CYS C
H A 0048 ALA C 3.694 H A 0049 CYS CB
H A 0049 CYS C 2.463 H A 0050 LYS CA
H A 0049 CYS C 3.238 H A 0050 LYS C
H A 0049 CYS C 3.667 H A 0050 LYS CB
H A 0050 LYS C 2.470 H A 0051 THR CA
H A 0050 LYS C 3.560 H A 0051 THR C
H A 0050 LYS C 3.377 H A 0051 THR CB
H A 0051 THR C 2.464 H A 0052 CYS CA
H A 0051 THR C 2.972 H A 0052 CYS C
H A 0051 THR C 3.686 H A 0052 CYS CB
H A 0051 THR CA 3.723 H A 0054 LYS CD
H A 0052 CYS CA 3.784 H A 0053 HIS CA
H A 0052 CYS C 2.414 H A 0053 HIS CA
H A 0052 CYS C 3.014 H A 0053 HIS C
H A 0052 CYS C 3.713 H A 0053 HIS CB
H A 0053 HIS C 2.488 H A 0054 LYS CA
H A 0053 HIS C 2.972 H A 0054 LYS C
H A 0053 HIS C 3.742 H A 0054 LYS CB
H A 0054 LYS C 2.456 H A 0055 SER CA
H A 0054 LYS C 3.277 H A 0055 SER C
H A 0054 LYS C 3.658 H A 0055 SER CB
H A 0055 SER C 2.475 H A 0056 ASN CA
H A 0055 SER C 3.395 H A 0056 ASN C
H A 0055 SER C 3.616 H A 0056 ASN CB
H A 0056 ASN C 2.469 C A 0057 ASN CA
H A 0056 ASN C 3.634 C A 0057 ASN C
H A 0056 ASN C 3.282 C A 0057 ASN CB
C A 0057 ASN C 2.458 C A 0058 GLY CA
C A 0057 ASN C 3.502 C A 0058 GLY C
C A 0057 ASN C 3.282 C A 0059 PRO CD
C A 0058 GLY CA 2.998 C A 0059 PRO CD
C A 0058 GLY C 2.436 C A 0059 PRO CA
C A 0058 GLY C 2.974 C A 0059 PRO C
C A 0058 GLY C 3.656 C A 0059 PRO CB
C A 0058 GLY C 3.703 C A 0059 PRO CG
C A 0058 GLY C 2.509 C A 0059 PRO CD
C A 0059 PRO C 2.446 C A 0060 THR CA
C A 0059 PRO C 3.173 C A 0060 THR C
C A 0059 PRO C 3.651 C A 0060 THR CB
C A 0060 THR CA 3.784 C A 0061 LYS CA
C A 0060 THR C 2.455 C A 0061 LYS CA
C A 0060 THR C 3.257 C A 0061 LYS C
C A 0060 THR C 3.618 C A 0061 LYS CB
C A 0060 THR C 3.724 C A 0061 LYS CG
C A 0061 LYS C 2.485 C A 0062 CYS CA
C A 0061 LYS C 3.598 C A 0062 CYS C
C A 0061 LYS C 3.417 C A 0062 CYS CB
C A 0062 CYS C 2.467 C A 0063 GLY CA
C A 0062 CYS C 3.242 C A 0063 GLY C
C A 0063 GLY C 2.491 C A 0064 GLY CA
C A 0063 GLY C 2.990 C A 0064 GLY C
C A 0064 GLY C 2.467 C A 0065 CYS CA
C A 0064 GLY C 3.517 C A 0065 CYS C
C A 0064 GLY C 3.448 C A 0065 CYS CB
C A 0065 CYS C 2.451 C A 0066 HIS CA
C A 0065 CYS C 3.011 C A 0066 HIS C
C A 0065 CYS C 3.749 C A 0066 HIS CB
C A 0066 HIS C 2.431 C A 0067 ILE CA
C A 0066 HIS C 3.097 C A 0067 ILE C
C A 0066 HIS C 3.695 C A 0067 ILE CB
C A 0067 ILE C 2.486 C A 0068 LYS CA
C A 0067 ILE C 3.677 C A 0068 LYS C
C A 0067 ILE C 3.161 C A 0068 LYS CB
CHARGE_ATTR 2.00 12.00 72
C A 0002 ASP OD1 7.171 H A 0017 HIS ND1
C A 0002 ASP OD1 9.310 H A 0017 HIS NE2
C A 0002 ASP OD2 8.344 H A 0017 HIS ND1
C A 0002 ASP OD2 10.52 H A 0017 HIS NE2
C A 0002 ASP OD1 8.128 H A 0018 LYS NZ
C A 0002 ASP OD2 6.430 H A 0018 LYS NZ
C A 0002 ASP OD1 11.16 H A 0020 HIS ND1
C A 0002 ASP OD2 11.29 H A 0020 HIS ND1
C A 0007 GLU OE1 9.601 C A 0009 LYS NZ
C A 0007 GLU OE2 9.818 C A 0009 LYS NZ
C A 0007 GLU OE2 11.30 C A 0036 LYS NZ
H A 0016 ASP OD1 10.11 H A 0017 HIS ND1
H A 0016 ASP OD1 11.04 H A 0017 HIS NE2
H A 0016 ASP OD2 10.10 H A 0017 HIS ND1
H A 0016 ASP OD2 11.41 H A 0017 HIS NE2
H A 0016 ASP OD1 10.51 H A 0018 LYS NZ
H A 0016 ASP OD2 8.887 H A 0018 LYS NZ
H A 0016 ASP OD1 5.317 H A 0020 HIS ND1
H A 0016 ASP OD1 6.465 H A 0020 HIS NE2
H A 0016 ASP OD2 6.560 H A 0020 HIS ND1
H A 0016 ASP OD2 8.090 H A 0020 HIS NE2
H A 0016 ASP OD1 10.36 H A 0023 LYS NZ
H A 0016 ASP OD2 10.15 H A 0023 LYS NZ
H A 0016 ASP OD1 9.983 H A 0053 HIS ND1
H A 0016 ASP OD1 8.735 H A 0053 HIS NE2
H A 0016 ASP OD2 10.71 H A 0053 HIS NE2
H A 0022 GLU OE1 10.38 H A 0017 HIS ND1
H A 0022 GLU OE1 11.72 H A 0017 HIS NE2
H A 0022 GLU OE2 9.548 H A 0017 HIS ND1
H A 0022 GLU OE2 10.93 H A 0017 HIS NE2
H A 0022 GLU OE1 2.584 H A 0018 LYS NZ
H A 0022 GLU OE2 2.573 H A 0018 LYS NZ
H A 0022 GLU OE1 10.34 H A 0020 HIS ND1
H A 0022 GLU OE2 8.542 H A 0020 HIS ND1
H A 0022 GLU OE2 10.43 H A 0020 HIS NE2
H A 0022 GLU OE1 9.084 H A 0023 LYS NZ
H A 0022 GLU OE2 7.999 H A 0023 LYS NZ
C A 0027 ASP OD1 11.20 H A 0017 HIS NE2
C A 0027 ASP OD1 11.55 H A 0020 HIS ND1
C A 0027 ASP OD1 11.68 H A 0020 HIS NE2
C A 0027 ASP OD1 9.811 C A 0030 HIS ND1
C A 0027 ASP OD1 9.614 C A 0030 HIS NE2
C A 0027 ASP OD2 11.45 C A 0030 HIS ND1
C A 0027 ASP OD2 11.52 C A 0030 HIS NE2
C A 0031 GLU OE1 9.369 C A 0030 HIS ND1
C A 0031 GLU OE1 11.10 C A 0030 HIS NE2
C A 0031 GLU OE2 10.11 C A 0030 HIS ND1
C A 0031 GLU OE2 11.57 C A 0030 HIS NE2
H A 0040 ASP OD1 11.24 C A 0036 LYS NZ
H A 0040 ASP OD1 7.867 H A 0041 LYS NZ
H A 0040 ASP OD2 6.007 H A 0041 LYS NZ
H A 0040 ASP OD1 5.826 H A 0042 LYS NZ
H A 0040 ASP OD2 5.241 H A 0042 LYS NZ
H A 0040 ASP OD1 9.536 H A 0045 HIS ND1
H A 0040 ASP OD1 9.428 H A 0045 HIS NE2
H A 0040 ASP OD2 9.016 H A 0045 HIS ND1
H A 0040 ASP OD2 8.978 H A 0045 HIS NE2
H A 0040 ASP OD1 10.64 H A 0046 LYS NZ
H A 0040 ASP OD2 11.82 H A 0046 LYS NZ
H A 0040 ASP OD1 12.00 H A 0050 LYS NZ
H A 0040 ASP OD1 11.41 C A 0066 HIS NE2
H A 0040 ASP OD2 11.94 C A 0066 HIS ND1
H A 0040 ASP OD2 10.89 C A 0066 HIS NE2
H A 0047 ASP OD1 11.41 H A 0045 HIS ND1
H A 0047 ASP OD2 11.92 H A 0045 HIS ND1
H A 0047 ASP OD1 4.777 H A 0046 LYS NZ
H A 0047 ASP OD2 2.604 H A 0046 LYS NZ
H A 0047 ASP OD1 7.165 H A 0050 LYS NZ
H A 0047 ASP OD2 8.317 H A 0050 LYS NZ
H A 0047 ASP OD1 11.60 H A 0053 HIS ND1
H A 0047 ASP OD1 6.158 H A 0054 LYS NZ
H A 0047 ASP OD2 7.743 H A 0054 LYS NZ
CHARGE_REPU 2.00 12.00 79
C A 0002 ASP OD1 9.299 H A 0016 ASP OD1
C A 0002 ASP OD1 7.991 H A 0016 ASP OD2
C A 0002 ASP OD2 9.264 H A 0016 ASP OD1
C A 0002 ASP OD2 7.555 H A 0016 ASP OD2
C A 0002 ASP OD1 10.28 H A 0022 GLU OE1
C A 0002 ASP OD1 9.218 H A 0022 GLU OE2
C A 0002 ASP OD2 8.812 H A 0022 GLU OE1
C A 0002 ASP OD2 7.817 H A 0022 GLU OE2
C A 0009 LYS NZ 11.15 C A 0010 LYS NZ
C A 0009 LYS NZ 9.894 H A 0041 LYS NZ
C A 0009 LYS NZ 11.81 C A 0066 HIS ND1
C A 0010 LYS NZ 10.60 H A 0041 LYS NZ
C A 0010 LYS NZ 9.849 H A 0045 HIS ND1
C A 0010 LYS NZ 9.058 H A 0045 HIS NE2
C A 0010 LYS NZ 7.377 C A 0066 HIS ND1
C A 0010 LYS NZ 7.495 C A 0066 HIS NE2
C A 0010 LYS NZ 8.792 C A 0068 LYS NZ
H A 0016 ASP OD1 11.43 H A 0022 GLU OE1
H A 0016 ASP OD1 9.267 H A 0022 GLU OE2
H A 0016 ASP OD2 10.13 H A 0022 GLU OE1
H A 0016 ASP OD2 7.991 H A 0022 GLU OE2
H A 0017 HIS ND1 9.794 H A 0018 LYS NZ
H A 0017 HIS NE2 11.51 H A 0018 LYS NZ
H A 0017 HIS ND1 8.298 H A 0020 HIS ND1
H A 0017 HIS ND1 10.09 H A 0020 HIS NE2
H A 0017 HIS NE2 8.364 H A 0020 HIS ND1
H A 0017 HIS NE2 9.800 H A 0020 HIS NE2
H A 0017 HIS ND1 8.134 C A 0030 HIS ND1
H A 0017 HIS ND1 5.971 C A 0030 HIS NE2
H A 0017 HIS NE2 6.016 C A 0030 HIS ND1
H A 0017 HIS NE2 3.841 C A 0030 HIS NE2
H A 0017 HIS ND1 11.30 C A 0036 LYS NZ
H A 0017 HIS NE2 10.36 C A 0036 LYS NZ
H A 0018 LYS NZ 10.52 H A 0020 HIS ND1
H A 0018 LYS NZ 10.31 H A 0023 LYS NZ
H A 0020 HIS ND1 9.057 H A 0023 LYS NZ
H A 0020 HIS NE2 9.397 H A 0023 LYS NZ
H A 0020 HIS ND1 10.35 C A 0030 HIS NE2
H A 0020 HIS NE2 11.17 C A 0030 HIS NE2
H A 0020 HIS ND1 8.150 H A 0053 HIS ND1
H A 0020 HIS ND1 6.094 H A 0053 HIS NE2
H A 0020 HIS NE2 6.077 H A 0053 HIS ND1
H A 0020 HIS NE2 3.940 H A 0053 HIS NE2
H A 0023 LYS NZ 11.18 H A 0053 HIS NE2
C A 0027 ASP OD1 10.35 C A 0031 GLU OE1
C A 0027 ASP OD1 8.877 C A 0031 GLU OE2
C A 0027 ASP OD2 10.14 C A 0031 GLU OE1
C A 0027 ASP OD2 8.322 C A 0031 GLU OE2
C A 0030 HIS ND1 10.58 C A 0036 LYS NZ
C A 0030 HIS NE2 10.38 C A 0036 LYS NZ
H A 0040 ASP OD1 11.97 H A 0047 ASP OD1
H A 0040 ASP OD1 11.47 H A 0047 ASP OD2
H A 0041 LYS NZ 9.893 H A 0042 LYS NZ
H A 0041 LYS NZ 9.624 H A 0045 HIS ND1
H A 0041 LYS NZ 8.913 H A 0045 HIS NE2
H A 0041 LYS NZ 9.268 C A 0066 HIS ND1
H A 0041 LYS NZ 9.054 C A 0066 HIS NE2
H A 0042 LYS NZ 10.83 H A 0046 LYS NZ
H A 0045 HIS ND1 5.775 H A 0050 LYS NZ
H A 0045 HIS NE2 6.989 H A 0050 LYS NZ
H A 0045 HIS ND1 11.04 H A 0053 HIS ND1
H A 0045 HIS NE2 10.13 H A 0053 HIS ND1
H A 0045 HIS NE2 11.56 H A 0053 HIS NE2
H A 0045 HIS ND1 8.181 C A 0066 HIS ND1
H A 0045 HIS ND1 6.030 C A 0066 HIS NE2
H A 0045 HIS NE2 6.076 C A 0066 HIS ND1
H A 0045 HIS NE2 3.917 C A 0066 HIS NE2
H A 0046 LYS NZ 9.877 H A 0050 LYS NZ
H A 0046 LYS NZ 10.12 H A 0054 LYS NZ
H A 0050 LYS NZ 8.949 H A 0053 HIS ND1
H A 0050 LYS NZ 10.56 H A 0053 HIS NE2
H A 0050 LYS NZ 6.732 H A 0054 LYS NZ
H A 0050 LYS NZ 10.30 C A 0066 HIS NE2
H A 0053 HIS ND1 11.12 H A 0054 LYS NZ
H A 0053 HIS ND1 11.59 C A 0066 HIS ND1
H A 0053 HIS ND1 10.45 C A 0066 HIS NE2
H A 0053 HIS NE2 11.71 C A 0066 HIS NE2
C A 0066 HIS ND1 10.06 C A 0068 LYS NZ
C A 0066 HIS NE2 11.35 C A 0068 LYS NZ
HB_MM 2.00 3.20 109
C A 0002 ASP N 2.278 C A 0001 ALA O
C A 0003 VAL N 2.240 C A 0002 ASP O
E A 0004 VAL N 2.252 C A 0003 VAL O
E A 0004 VAL N 2.996 E A 0015 PHE O
E A 0005 THR N 2.259 E A 0004 VAL O
E A 0006 TYR N 2.262 E A 0005 THR O
E A 0006 TYR N 2.999 E A 0013 VAL O
C A 0007 GLU N 2.262 E A 0006 TYR O
C A 0008 ASN N 2.806 E A 0006 TYR O
C A 0008 ASN N 2.248 C A 0007 GLU O
C A 0009 LYS N 2.254 C A 0008 ASN O
C A 0010 LYS N 2.257 C A 0009 LYS O
C A 0011 GLY N 2.258 C A 0010 LYS O
C A 0012 ASN N 2.265 C A 0011 GLY O
E A 0013 VAL N 2.944 E A 0006 TYR O
E A 0013 VAL N 2.260 C A 0012 ASN O
E A 0014 THR N 2.263 E A 0013 VAL O
E A 0015 PHE N 2.828 E A 0004 VAL O
E A 0015 PHE N 2.251 E A 0014 THR O
H A 0016 ASP N 2.257 E A 0015 PHE O
H A 0017 HIS N 2.881 C A 0002 ASP O
H A 0017 HIS N 2.764 E A 0015 PHE O
H A 0017 HIS N 2.254 H A 0016 ASP O
H A 0018 LYS N 2.766 C A 0002 ASP O
H A 0018 LYS N 2.251 H A 0017 HIS O
H A 0019 ALA N 3.069 H A 0016 ASP O
H A 0019 ALA N 2.245 H A 0018 LYS O
H A 0020 HIS N 2.885 H A 0016 ASP O
H A 0020 HIS N 2.247 H A 0019 ALA O
H A 0021 ALA N 2.830 H A 0017 HIS O
H A 0021 ALA N 2.934 H A 0018 LYS O
H A 0021 ALA N 3.136 H A 0019 ALA O
H A 0021 ALA N 2.244 H A 0020 HIS O
H A 0022 GLU N 2.800 H A 0018 LYS O
H A 0022 GLU N 3.192 H A 0019 ALA O
H A 0022 GLU N 2.216 H A 0021 ALA O
H A 0023 LYS N 2.831 H A 0019 ALA O
H A 0023 LYS N 2.247 H A 0022 GLU O
H A 0024 LEU N 2.835 H A 0020 HIS O
H A 0024 LEU N 2.254 H A 0023 LYS O
H A 0025 GLY N 2.629 H A 0021 ALA O
H A 0025 GLY N 2.250 H A 0024 LEU O
C A 0026 CYS N 2.252 H A 0025 GLY O
C A 0027 ASP N 2.279 C A 0026 CYS O
C A 0028 ALA N 2.993 C A 0026 CYS O
C A 0028 ALA N 2.263 C A 0027 ASP O
C A 0029 CYS N 2.865 C A 0026 CYS O
C A 0029 CYS N 2.928 C A 0027 ASP O
C A 0029 CYS N 2.260 C A 0028 ALA O
C A 0030 HIS N 2.811 C A 0026 CYS O
C A 0030 HIS N 2.245 C A 0029 CYS O
C A 0031 GLU N 2.252 C A 0030 HIS O
C A 0032 GLY N 2.256 C A 0031 GLU O
C A 0033 THR N 2.248 C A 0032 GLY O
C A 0034 PRO N 2.244 C A 0033 THR O
C A 0035 ALA N 2.248 C A 0034 PRO O
C A 0036 LYS N 2.264 C A 0035 ALA O
C A 0037 ILE N 2.267 C A 0036 LYS O
C A 0038 ALA N 2.263 C A 0037 ILE O
C A 0039 ILE N 2.252 C A 0038 ALA O
H A 0040 ASP N 2.263 C A 0039 ILE O
H A 0041 LYS N 2.258 H A 0040 ASP O
H A 0042 LYS N 2.262 H A 0041 LYS O
H A 0043 SER N 3.196 H A 0040 ASP O
H A 0043 SER N 2.246 H A 0042 LYS O
H A 0044 ALA N 2.743 H A 0040 ASP O
H A 0044 ALA N 2.268 H A 0043 SER O
H A 0045 HIS N 2.867 H A 0041 LYS O
H A 0045 HIS N 2.258 H A 0044 ALA O
H A 0046 LYS N 2.759 H A 0042 LYS O
H A 0046 LYS N 3.073 H A 0043 SER O
H A 0046 LYS N 2.253 H A 0045 HIS O
H A 0047 ASP N 2.913 H A 0043 SER O
H A 0047 ASP N 2.259 H A 0046 LYS O
H A 0048 ALA N 3.021 H A 0043 SER O
H A 0048 ALA N 2.252 H A 0047 ASP O
H A 0049 CYS N 3.110 H A 0044 ALA O
H A 0049 CYS N 2.243 H A 0048 ALA O
H A 0050 LYS N 2.808 H A 0044 ALA O
H A 0050 LYS N 2.239 H A 0049 CYS O
H A 0051 THR N 2.807 H A 0049 CYS O
H A 0051 THR N 2.257 H A 0050 LYS O
H A 0052 CYS N 2.247 H A 0051 THR O
H A 0053 HIS N 2.246 H A 0052 CYS O
H A 0054 LYS N 3.065 H A 0052 CYS O
H A 0054 LYS N 2.262 H A 0053 HIS O
H A 0055 SER N 3.081 H A 0053 HIS O
H A 0055 SER N 2.250 H A 0054 LYS O
H A 0056 ASN N 2.769 H A 0053 HIS O
H A 0056 ASN N 2.250 H A 0055 SER O
C A 0057 ASN N 2.874 H A 0053 HIS O
C A 0057 ASN N 2.247 H A 0056 ASN O
C A 0058 GLY N 2.240 C A 0057 ASN O
C A 0059 PRO N 2.244 C A 0058 GLY O
C A 0060 THR N 3.166 C A 0058 GLY O
C A 0060 THR N 2.241 C A 0059 PRO O
C A 0061 LYS N 2.261 C A 0060 THR O
C A 0062 CYS N 2.253 C A 0061 LYS O
C A 0063 GLY N 2.244 C A 0062 CYS O
C A 0064 GLY N 2.835 C A 0062 CYS O
C A 0064 GLY N 2.254 C A 0063 GLY O
C A 0065 CYS N 2.969 C A 0063 GLY O
C A 0065 CYS N 2.255 C A 0064 GLY O
C A 0066 HIS N 2.250 C A 0065 CYS O
C A 0067 ILE N 2.926 C A 0012 ASN O
C A 0067 ILE N 3.121 C A 0065 CYS O
C A 0067 ILE N 2.250 C A 0066 HIS O
C A 0068 LYS N 2.755 C A 0066 HIS O
C A 0068 LYS N 2.247 C A 0067 ILE O
HB_MS 2.00 3.20 19
C A 0001 ALA O 2.712 H A 0017 HIS ND1
C A 0003 VAL N 2.714 C A 0002 ASP OD1
E A 0006 TYR N 3.053 E A 0005 THR OG1
E A 0006 TYR O 2.792 C A 0008 ASN ND2
C A 0010 LYS N 3.183 C A 0008 ASN OD1
C A 0011 GLY O 2.766 C A 0008 ASN ND2
C A 0011 GLY O 2.778 C A 0066 HIS ND1
E A 0013 VAL O 2.748 E A 0005 THR OG1
H A 0016 ASP O 2.831 H A 0020 HIS ND1
C A 0026 CYS N 2.741 C A 0027 ASP OD1
C A 0028 ALA N 2.730 C A 0027 ASP OD1
C A 0039 ILE N 2.875 E A 0006 TYR OH
H A 0041 LYS N 3.169 H A 0040 ASP OD2
H A 0042 LYS N 2.717 H A 0040 ASP OD2
H A 0043 SER N 2.766 H A 0040 ASP OD1
H A 0045 HIS O 2.662 H A 0050 LYS NZ
H A 0052 CYS O 2.778 H A 0056 ASN ND2
C A 0058 GLY N 2.713 C A 0057 ASN OD1
C A 0061 LYS N 2.820 C A 0060 THR OG1
HB_SS 2.00 3.20 3
H A 0040 ASP OD1 2.643 H A 0043 SER OG
H A 0047 ASP OD1 2.665 H A 0051 THR OG1
C A 0066 HIS ND1 3.072 C A 0008 ASN OD1
AROMATIC 0.00 8.00 2
E A 0006 TYR 4.986 E A 0015 PHE
H A 0050 LYS 6.062 H A 0045 HIS