VERSION 2.2 ALAN 12 0.000 Alanine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.400 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.494 115.700 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.311 119.800 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.525 112.200 180.000 0 0 c3 -0.3000 meB 1 HB1 CB 1.0 1.080 110.000 180.000 chi1 1 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB3 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 ALA 10 0.000 Alanine, polypeptide residue N C 1.5 * 1.282 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.400 124.300 -180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.494 115.700 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.311 119.800 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.525 112.200 60.000 0 0 c3 -0.3000 meB 1 HB1 CB 1.0 1.080 110.000 -180.000 chi1 1 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB3 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 ALAC 11 0.000 Alanine, negative C-terminus N C 1.5 * 1.282 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.400 124.300 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.525 112.200 60.000 0 0 c3 -0.3000 meB 1 HB1 CB 1.0 1.080 110.000 180.000 chi1 1 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB3 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 ALAn 11 0.000 Alanine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.400 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.494 115.700 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.311 119.800 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.525 112.200 -120.000 0 0 c3 -0.3000 meB 1 HB1 CB 1.0 1.080 110.000 180.000 chi1 1 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB3 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 ARGN 25 0.000 Arginine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 0.960 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 0.960 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 0.960 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.522 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2000 c3nc 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 c3nc 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 c3nc 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 c3nc 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.1600 c3nc 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 NE CD 1.0 1.320 115.000 180.000 chi3 1 0 n -0.5600 c3nc 0 CZ NE 2.0 1.350 124.100 180.000 chi4 1 1 cr 0.3800 c3nc 0 NH1 CZ 1.0 1.320 119.000 -180.000 chi5 1 1 n2 -0.5600 am1 1 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.2800 am1 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.2800 am1 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5600 am2 1 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.2800 am2 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.2800 am2 0 ARG 23 +12.480 Arginine, polypeptide residue N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 c3nc 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 c3nc 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 c3nc 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 c3nc 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.1600 c3nc 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 NE CD 1.0 1.320 115.000 -180.000 chi3 1 0 n -0.5600 c3nc 0 CZ NE 2.0 1.350 124.100 -180.000 chi4 1 1 cr 0.3800 c3nc 0 NH1 CZ 1.0 1.320 119.000 180.000 chi5 1 1 n2 -0.5600 am1 1 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.2800 am1 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.2800 am1 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5600 am2 1 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.2800 am2 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.2800 am2 0 ARGC 24 0.000 Arginine, negative C-terminus N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 c3nc 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 c3nc 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 c3nc 0 CG CB 1.0 1.390 109.500 -180.000 chi1 1 0 c2 -0.2000 c3nc 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 CD CG 1.0 1.530 111.000 -180.000 chi2 1 0 c2 -0.1600 c3nc 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 NE CD 1.0 1.320 115.000 180.000 chi3 1 1 n -0.5600 c3nc 0 CZ NE 2.0 1.350 124.100 180.000 chi4 1 1 cr 0.3800 c3nc 0 NH1 CZ 1.0 1.320 119.000 180.000 chi5 1 1 n2 -0.5600 am1 1 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.2800 am1 0 HH12 NH1 1.0 1.000 124.000 -180.000 0 0 hn 0.2800 am1 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5600 am2 1 HH21 NH2 1.0 1.000 110.000 -180.000 0 0 hn 0.2800 am2 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.2800 am2 0 ARGn 24 0.000 Arginine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 0.960 119.800 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 0.960 119.800 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.2000 c3nc 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 c3nc 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 c3nc 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 c3nc 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.1600 c3nc 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 c3nc 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 c3nc 0 NE CD 1.0 1.320 115.000 180.000 chi3 1 0 n -0.5600 c3nc 0 CZ NE 2.0 1.350 124.100 180.000 chi4 1 1 cr 0.3800 c3nc 0 NH1 CZ 1.0 1.320 119.000 -180.000 chi5 1 1 n2 -0.5600 am1 1 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.2800 am1 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.2800 am1 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5600 am2 1 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.2800 am2 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.2800 am2 0 AR+N 26 0.000 Arginine(positive side chain), positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.522 110.000 -60.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2000 guan 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 guan 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 guan 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 guan 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.0900 guan 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 NE CD 1.0 1.320 115.000 180.000 chi3 1 1 n1 -0.5000 guan 1 CZ NE 2.0 1.350 124.100 180.000 chi4 1 1 cr 0.4500 guan 0 NH1 CZ 1.0 1.320 119.000 -180.000 chi5 1 1 n2 -0.5000 guan 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5000 guan 0 HE NE 1.0 1.080 123.000 0.000 0 0 hn 0.3600 guan 0 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.3600 guan 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.3600 guan 0 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.3600 guan 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.3600 guan 0 ARG+ 24 -12.480 Arginine(positive side chain), polypeptide residue N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 guan 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 guan 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 guan 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 guan 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.0900 guan 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 NE CD 1.0 1.320 115.000 -180.000 chi3 1 1 n1 -0.5000 guan 1 CZ NE 2.0 1.350 124.100 -180.000 chi4 1 1 cr 0.4500 guan 0 NH1 CZ 1.0 1.320 119.000 180.000 chi5 1 1 n2 -0.5000 guan 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5000 guan 0 HE NE 1.0 1.080 123.000 0.000 0 0 hn 0.3600 guan 0 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.3600 guan 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.3600 guan 0 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.3600 guan 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.3600 guan 0 AR+C 25 0.000 Arginine(positive side chain), negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pep- 0 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.0800 pep- 1 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pep- 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.0200 pep- 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.3400 pep- 0 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 ethl 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.0700 ethl 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0700 ethl 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 ethl 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 ethl 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 ethl 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.0900 guan 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 NE CD 1.0 1.320 115.000 180.000 chi3 1 1 n1 -0.5000 guan 0 CZ NE 2.0 1.350 124.100 -180.000 chi4 1 1 cr 0.4500 guan 1 NH1 CZ 1.0 1.320 119.000 180.000 chi5 1 1 n2 -0.5000 guan 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5000 guan 0 HE NE 1.0 1.080 123.000 0.000 0 0 hn 0.3600 guan 0 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.3600 guan 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.3600 guan 0 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.3600 guan 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.3600 guan 0 AR+n 25 0.000 Arginine(positive side chain), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 0.960 119.800 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 0.960 119.800 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.2000 guan 0 HB1 CB 1.0 1.090 110.000 -60.000 0 0 h 0.1100 guan 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1100 guan 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 guan 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.0900 guan 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1300 guan 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1300 guan 0 NE CD 1.0 1.320 115.000 180.000 chi3 1 1 n1 -0.5000 guan 1 CZ NE 2.0 1.350 124.100 180.000 chi4 1 1 cr 0.4500 guan 0 NH1 CZ 1.0 1.320 119.000 -180.000 chi5 1 1 n2 -0.5000 guan 0 NH2 CZ 1.0 1.480 111.000 0.000 0 1 n2 -0.5000 guan 0 HE NE 1.0 1.080 123.000 0.000 0 0 hn 0.3600 guan 0 HH11 NH1 1.0 1.000 124.000 0.000 0 0 hn 0.3600 guan 0 HH12 NH1 1.0 1.000 124.000 180.000 0 0 hn 0.3600 guan 0 HH21 NH2 1.0 1.000 110.000 180.000 0 0 hn 0.3600 guan 0 HH22 NH2 1.0 1.000 110.000 0.000 0 0 hn 0.3600 guan 0 ASNN 16 0.000 Asparagine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.450 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.540 111.200 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.230 120.800 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 110.400 -180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 65.900 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -174.100 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 110.700 -54.100 chi1 1 1 c' 0.3800 coG 1 OD1 CG 2.0 1.230 121.100 99.300 0 0 o' -0.3800 coG 0 ND2 CG 1.0 1.320 115.400 -80.700 chi2 1 1 n2 -0.5600 amD 1 HD21 ND2 1.0 1.000 120.000 180.000 chi3 1 0 hn 0.2800 amD 0 HD22 ND2 1.0 1.000 120.000 0.000 0 0 hn 0.2800 amD 0 ASN 14 0.000 Asparagine, polypeptide residue N C 1.5 * 1.330 114.300 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.450 121.600 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.540 111.200 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.230 120.800 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 110.400 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 65.900 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -174.100 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 110.700 -54.100 chi1 1 1 c' 0.3800 coG 1 OD1 CG 2.0 1.230 121.100 99.300 0 0 o' -0.3800 coG 0 ND2 CG 1.0 1.320 115.400 -80.700 chi2 1 1 n2 -0.5600 amD 1 HD21 ND2 1.0 1.000 120.000 180.000 chi3 1 0 hn 0.2800 amD 0 HD22 ND2 1.0 1.000 120.000 0.000 0 0 hn 0.2800 amD 0 ASNC 15 0.000 Asparagine, negative C-terminus N C 1.5 * 1.330 114.300 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.450 121.600 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 110.400 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 65.900 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -174.100 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 110.700 -54.100 chi1 1 1 c' 0.3800 coG 1 OD1 CG 2.0 1.230 121.100 99.300 0 0 o' -0.3800 coG 0 ND2 CG 1.0 1.320 115.400 -80.700 chi2 1 1 n2 -0.5600 amD 1 HD21 ND2 1.0 1.000 120.000 -180.000 chi3 1 0 hn 0.2800 amD 0 HD22 ND2 1.0 1.000 120.000 0.000 0 0 hn 0.2800 amD 0 ASNn 15 0.000 Asparagine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.450 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.540 111.200 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.230 120.800 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 110.400 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 65.900 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -174.100 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 110.700 -54.100 chi1 1 1 c' 0.3800 coG 1 OD1 CG 2.0 1.230 121.100 99.300 0 0 o' -0.3800 coG 0 ND2 CG 1.0 1.320 115.400 -80.700 chi2 1 1 n2 -0.5600 amD 1 HD21 ND2 1.0 1.000 120.000 180.000 chi3 1 0 hn 0.2800 amD 0 HD22 ND2 1.0 1.000 120.000 0.000 0 0 hn 0.2800 amD 0 ASPN 15 0.000 Aspartic Acid, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.430 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.530 108.000 -60.000 0 0 c' 0.3800 pepC 1 O C 2.0 1.270 118.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.490 111.000 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -55.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 65.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 113.000 -175.000 chi1 1 1 c' 0.3800 cooh 1 OD1 CG 2.0 1.150 127.000 -147.000 0 0 o' -0.3500 cooh 0 OD2 CG 1.0 1.290 110.000 33.000 chi2 1 0 oh -0.3800 cooh 0 HD2 OD2 1.0 1.000 110.000 0.000 chi3 1 0 ho 0.3500 cooh 0 ASP 13 -3.650 Aspartic Acid, polypeptide residue N C 1.5 * 1.350 116.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.430 119.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 108.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.270 118.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.490 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -55.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 65.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 113.000 -175.000 chi1 1 1 c' 0.3800 cooh 1 OD1 CG 2.0 1.150 127.000 -147.000 0 0 o' -0.3500 cooh 0 OD2 CG 1.0 1.290 110.000 33.000 chi2 1 0 oh -0.3800 cooh 0 HD2 OD2 1.0 1.000 110.000 0.000 chi3 1 0 ho 0.3500 cooh 0 ASPC 14 0.000 Aspartic Acid, negative C-terminus N C 1.5 * 1.350 116.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.430 119.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 108.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.490 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -55.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 65.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 113.000 -175.000 chi1 1 1 c' 0.3800 cooh 1 OD1 CG 2.0 1.150 127.000 -147.000 0 0 o' -0.3500 cooh 0 OD2 CG 1.0 1.290 110.000 33.000 chi2 1 0 oh -0.3800 cooh 0 HD2 OD2 1.0 1.000 110.000 0.000 chi3 1 0 ho 0.3500 cooh 0 ASPn 14 0.000 Aspartic Acid, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.430 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 108.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.270 118.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.490 111.000 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -55.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 65.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.520 113.000 -175.000 chi1 1 1 c' 0.3800 cooh 1 OD1 CG 2.0 1.150 127.000 -147.000 0 0 o' -0.3500 cooh 0 OD2 CG 1.0 1.290 110.000 33.000 chi2 1 0 oh -0.3800 cooh 0 HD2 OD2 1.0 1.000 110.000 0.000 chi3 1 0 ho 0.3500 cooh 0 AP-N 14 0.000 Aspartate(negative side chain), positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.2700 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.0700 pep+ 0 C CA 1.0 1.530 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.100 180.000 0 0 c2 -0.2600 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0700 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0700 coo- 0 CG CB 1.0 1.530 111.000 -180.000 chi1 1 1 c- 0.3400 coo- 1 OD1 CG 1.5 1.260 120.000 -147.000 chi2 1 0 o- -0.5700 coo- 0 OD2 CG 1.5 1.260 120.000 33.000 0 0 o- -0.5700 coo- 0 ASP- 12 3.650 Aspartate(negative side chain), polypeptide residue N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2600 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.0700 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.4100 pepC 0 CB CA 1.0 1.530 111.100 60.000 0 0 c2 -0.2600 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0700 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0700 coo- 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 1 c- 0.3400 coo- 1 OD1 CG 1.5 1.260 120.000 -147.000 chi2 1 0 o- -0.5700 coo- 0 OD2 CG 1.5 1.260 120.000 33.000 0 0 o- -0.5700 coo- 0 AP-C 13 0.000 Aspartate(negative side chain), negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.0900 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2600 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.0700 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.100 60.000 0 0 c2 -0.2600 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0700 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0700 coo- 0 CG CB 1.0 1.530 111.000 -180.000 chi1 1 1 c- 0.3400 coo- 1 OD1 CG 1.5 1.260 120.000 -147.000 chi2 1 0 o- -0.5700 coo- 0 OD2 CG 1.5 1.260 120.000 33.000 0 0 o- -0.5700 coo- 0 AP-n 13 0.000 Aspartate(negative side chain), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1300 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1300 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.0700 pepN 0 C CA 1.0 1.530 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.4100 pepC 0 CB CA 1.0 1.530 111.100 -120.000 0 0 c2 -0.2600 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0700 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0700 coo- 0 CG CB 1.0 1.530 111.000 -180.000 chi1 1 1 c- 0.3400 coo- 1 OD1 CG 1.5 1.260 120.000 -147.000 chi2 1 0 o- -0.5700 coo- 0 OD2 CG 1.5 1.260 120.000 33.000 0 0 o- -0.5700 coo- 0 CYSN 12 0.000 Cystine(sulfide bridge), positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.530 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.3000 cs 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 cs 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 cs 0 SG CB 1.0 1.830 110.000 180.000 chi1 1 0 s1 0.1000 cs 0 CYS 10 0.000 Cystine(sulfide bridge), polypeptide residue N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.3000 cs 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 cs 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 cs 0 SG CB 1.0 1.830 110.000 180.000 chi1 1 0 s1 0.1000 cs 0 CYSC 11 0.000 Cystine(sulfide bridge), negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.3000 cs 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 cs 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 cs 0 SG CB 1.0 1.830 110.000 180.000 chi1 1 0 s1 0.1000 cs 0 CYSn 11 0.000 Cystine(sulfide bridge), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.3000 cs 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 cs 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 cs 0 SG CB 1.0 1.830 110.000 180.000 chi1 1 0 s1 0.1000 cs 0 CYHN 13 0.000 Cysteine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.460 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 123.000 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 123.000 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.510 115.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 118.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.550 109.000 -180.000 0 0 c2 -0.3000 csh 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csh 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 csh 0 SG CB 1.0 1.780 116.700 -180.000 chi1 1 0 sh 0.0000 csh 0 HG SG 1.0 1.330 96.000 -60.000 chi2 1 0 hs 0.1000 csh 0 CYSH 11 0.000 Cysteine, polypeptide residue N C 1.5 * 1.310 117.900 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.460 121.900 -180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.510 115.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 118.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.550 109.000 60.000 0 0 c2 -0.3000 csh 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csh 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 csh 0 SG CB 1.0 1.780 116.700 -180.000 chi1 1 0 sh 0.0000 csh 0 HG SG 1.0 1.330 96.000 -60.000 chi2 1 0 hs 0.1000 csh 0 CYHC 12 0.000 Cysteine, negative C-terminus N C 1.5 * 1.310 117.900 180.000 0 1 n -0.5000 pepN 1 CA N 1.0 1.460 121.900 180.000 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.510 115.000 180.000 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 118.600 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 118.600 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.550 109.000 60.000 0 0 c2 -0.3000 csh 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csh 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 csh 0 SG CB 1.0 1.780 116.700 180.000 chi1 1 0 sh 0.0000 csh 0 HG SG 1.0 1.330 96.000 -60.000 chi2 1 0 hs 0.1000 csh 0 CYHn 12 0.000 Cysteine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.460 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.510 115.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 118.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.550 109.000 -120.000 0 0 c2 -0.3000 csh 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csh 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 csh 0 SG CB 1.0 1.780 116.700 -180.000 chi1 1 0 sh 0.0000 csh 0 HG SG 1.0 1.330 96.000 -60.000 chi2 1 0 hs 0.1000 csh 0 GL-N 17 0.000 Glutamate(negative side chain), positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.2700 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.0700 pep+ 0 C CA 1.0 1.530 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2200 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0900 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0900 coo- 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.3800 coo- 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1500 coo- 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1500 coo- 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 1 c- 0.3400 coo- 1 OE1 CD 1.5 1.260 120.000 180.000 chi3 1 0 o- -0.5700 coo- 0 OE2 CD 1.5 1.260 120.000 0.000 0 0 o- -0.5700 coo- 0 GLU- 15 4.250 Glutamate(negative side chain), polypeptide residue N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2600 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.0700 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.4100 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2200 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0900 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0900 coo- 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.3800 coo- 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1500 coo- 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1500 coo- 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 1 c- 0.3400 coo- 1 OE1 CD 1.5 1.260 120.000 180.000 chi3 1 0 o- -0.5700 coo- 0 OE2 CD 1.5 1.260 120.000 0.000 0 0 o- -0.5700 coo- 0 GL-C 16 0.000 Glutamate(negative side chain), negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.0900 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2600 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.0700 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2200 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0900 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0900 coo- 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.3800 coo- 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1500 coo- 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1500 coo- 0 CD CG 1.0 1.530 111.000 -180.000 chi2 1 1 c- 0.3400 coo- 1 OE1 CD 1.5 1.260 120.000 180.000 chi3 1 0 o- -0.5700 coo- 0 OE2 CD 1.5 1.260 120.000 0.000 0 0 o- -0.5700 coo- 0 GL-n 16 0.000 Glutamate(negative side chain), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1300 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1300 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.0700 pepN 0 C CA 1.0 1.530 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.4100 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.2200 coo- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0900 coo- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0900 coo- 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.3800 coo- 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1500 coo- 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1500 coo- 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 1 c- 0.3400 coo- 1 OE1 CD 1.5 1.260 120.000 180.000 chi3 1 0 o- -0.5700 coo- 0 OE2 CD 1.5 1.260 120.000 0.000 0 0 o- -0.5700 coo- 0 GLUN 18 0.000 Glutamic Acid, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.494 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 116.300 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 116.300 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 116.300 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.050 107.200 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.533 107.100 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.225 120.300 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.541 111.000 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 0.900 110.600 -179.700 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.050 112.100 -59.700 0 0 h 0.1000 meB 0 CG CB 1.0 1.510 113.800 60.300 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 0.890 115.200 -54.500 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.120 112.900 65.500 0 0 h 0.1000 meG 0 CD CG 1.0 1.512 112.900 -174.500 chi2 1 1 c' 0.3800 cooh 1 OE1 CD 2.0 1.194 123.300 180.000 0 0 o' -0.3500 cooh 0 OE2 CD 1.0 1.309 111.900 0.000 chi3 1 0 oh -0.3800 cooh 0 HE2 OE2 1.0 1.060 113.100 180.000 chi4 1 0 ho 0.3500 cooh 0 GLU 16 -4.250 Glutamic Acid, polypeptide residue N C 1.5 * 1.331 114.400 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.494 121.500 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 116.300 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.050 107.200 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.533 107.100 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.225 120.300 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.541 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 0.900 110.600 -179.700 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.050 112.100 -59.700 0 0 h 0.1000 meB 0 CG CB 1.0 1.510 113.800 60.300 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 0.890 115.200 -54.500 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.120 112.900 65.500 0 0 h 0.1000 meG 0 CD CG 1.0 1.512 112.900 -174.500 chi2 1 1 c' 0.3800 cooh 1 OE1 CD 2.0 1.194 123.300 180.000 0 0 o' -0.3500 cooh 0 OE2 CD 1.0 1.309 111.900 0.000 chi3 1 0 oh -0.3800 cooh 0 HE2 OE2 1.0 1.060 113.100 -180.000 chi4 1 0 ho 0.3500 cooh 0 GLUC 17 0.000 Glutamic Acid, negative C-terminus N C 1.5 * 1.331 114.400 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.494 121.500 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 116.300 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.050 107.200 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.533 107.100 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.225 120.300 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.225 120.300 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.541 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 0.900 110.600 -179.700 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.050 112.100 -59.700 0 0 h 0.1000 meB 0 CG CB 1.0 1.510 113.800 60.300 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 0.890 115.200 -54.500 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.120 112.900 65.500 0 0 h 0.1000 meG 0 CD CG 1.0 1.512 112.900 -174.500 chi2 1 1 c' 0.3800 cooh 1 OE1 CD 2.0 1.194 123.300 180.000 0 0 o' -0.3500 cooh 0 OE2 CD 1.0 1.309 111.900 0.000 chi3 1 0 oh -0.3800 cooh 0 HE2 OE2 1.0 1.060 113.100 180.000 chi4 1 0 ho 0.3500 cooh 0 GLUn 17 0.000 Glutamic Acid, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.494 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 116.300 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 116.300 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.050 107.200 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.533 107.100 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.225 120.300 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.541 111.000 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 0.900 110.600 -179.700 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.050 112.100 -59.700 0 0 h 0.1000 meB 0 CG CB 1.0 1.510 113.800 60.300 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 0.890 115.200 -54.500 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.120 112.900 65.500 0 0 h 0.1000 meG 0 CD CG 1.0 1.512 112.900 -174.500 chi2 1 1 c' 0.3800 cooh 1 OE1 CD 2.0 1.194 123.300 180.000 0 0 o' -0.3500 cooh 0 OE2 CD 1.0 1.309 111.900 0.000 chi3 1 0 oh -0.3800 cooh 0 HE2 OE2 1.0 1.060 113.100 180.000 chi4 1 0 ho 0.3500 cooh 0 GLNN 19 0.000 Glutamine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.522 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 1 c' 0.3800 coD 1 OE1 CD 2.0 1.220 122.000 180.000 0 0 o' -0.3800 coD 0 NE2 CD 1.0 1.330 114.000 0.000 chi3 1 1 n2 -0.5600 amE 1 HE21 NE2 1.0 1.000 120.000 0.000 chi4 1 0 hn 0.2800 amE 0 HE22 NE2 1.0 1.000 120.000 180.000 0 0 hn 0.2800 amE 0 GLN 17 0.000 Glutamine, polypeptide residue N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 111.000 -180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 -180.000 chi2 1 1 c' 0.3800 coD 1 OE1 CD 2.0 1.220 122.000 180.000 0 0 o' -0.3800 coD 0 NE2 CD 1.0 1.330 114.000 0.000 chi3 1 1 n2 -0.5600 amE 1 HE21 NE2 1.0 1.000 120.000 0.000 chi4 1 0 hn 0.2800 amE 0 HE22 NE2 1.0 1.000 120.000 180.000 0 0 hn 0.2800 amE 0 GLNC 18 0.000 Glutamine, negative C-terminus N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 1 c' 0.3800 coD 1 OE1 CD 2.0 1.220 122.000 -180.000 0 0 o' -0.3800 coD 0 NE2 CD 1.0 1.330 114.000 0.000 chi3 1 1 n2 -0.5600 amE 1 HE21 NE2 1.0 1.000 120.000 0.000 chi4 1 0 hn 0.2800 amE 0 HE22 NE2 1.0 1.000 120.000 180.000 0 0 hn 0.2800 amE 0 GLNn 18 0.000 Glutamine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 0.960 119.800 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 0.960 119.800 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 111.000 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 1 c' 0.3800 coD 1 OE1 CD 2.0 1.220 122.000 180.000 0 0 o' -0.3800 coD 0 NE2 CD 1.0 1.330 114.000 0.000 chi3 1 1 n2 -0.5600 amE 1 HE21 NE2 1.0 1.000 120.000 0.000 chi4 1 0 hn 0.2800 amE 0 HE22 NE2 1.0 1.000 120.000 180.000 0 0 hn 0.2800 amE 0 GLYN 9 0.000 Glycine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.450 0.000 0.000 0 0 cg 0.2200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA1 CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 HA2 CA 1.0 1.080 110.000 180.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.540 115.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.270 113.000 0.000 0 0 o' -0.3800 pepC 0 GLY 7 0.000 Glycine, polypeptide residue N C 1.5 * 1.360 121.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.450 121.000 180.000 omeg 0 0 cg 0.0200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA1 CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 HA2 CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.540 115.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.270 113.000 0.000 0 0 o' -0.3800 pepC 0 GLYC 8 0.000 Glycine, negative C-terminus N C 1.5 * 1.360 121.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.450 121.000 180.000 omeg 0 0 cg 0.0200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA1 CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 HA2 CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 GLYn 8 0.000 Glycine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.450 0.000 0.000 0 0 cg -0.1000 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.2000 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.2000 pepN 0 HA1 CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 HA2 CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.540 115.000 180.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.270 113.000 0.000 0 0 o' -0.3800 pepC 0 HISN 19 0.000 Histidine(H on NE),positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.447 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.519 111.700 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.250 121.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.531 110.500 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.491 114.400 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.377 122.500 0.000 chi2 1 0 np -0.4200 imid 0 CE1 ND1 2.0 1.307 105.600 -180.000 0 1 c5 0.2700 imid 1 NE2 CE1 1.0 1.316 108.000 0.000 0 1 np -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.374 106.900 0.000 0 1 c5 0.0100 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HE2 NE2 1.0 1.080 126.000 180.000 0 0 hn 0.2800 imid 0 HD2 CD2 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HIS 17 6.000 Histidine(H on NE),polypeptide residue N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 107.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.390 114.000 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.390 126.000 0.000 chi2 1 0 np -0.4200 imid 0 CE1 ND1 2.0 1.390 108.000 180.000 0 1 c5 0.2700 imid 1 NE2 CE1 1.0 1.390 108.000 0.000 0 1 np -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.390 108.000 0.000 0 1 c5 0.0100 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HE2 NE2 1.0 1.080 126.000 180.000 0 0 hn 0.2800 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.1300 imid 0 HISC 18 0.000 Histidine(H on NE),negative C-terminus N C 1.5 * 1.323 116.900 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.447 121.400 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.531 110.500 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.491 114.400 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.377 122.500 0.000 chi2 1 0 np -0.4200 imid 0 CE1 ND1 2.0 1.307 105.600 -180.000 0 1 c5 0.2700 imid 1 NE2 CE1 1.0 1.316 108.000 0.000 0 1 np -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.374 106.900 0.000 0 1 c5 0.0100 imid 0 HE1 CE1 1.0 1.080 126.000 -180.000 0 0 h 0.1300 imid 0 HE2 NE2 1.0 1.080 126.000 180.000 0 0 hn 0.2800 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.1300 imid 0 HISn 18 0.000 Histidine(H on NE), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 107.000 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.390 114.000 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.390 126.000 0.000 chi2 1 0 np -0.4200 imid 0 CE1 ND1 2.0 1.390 108.000 180.000 0 1 c5 0.2700 imid 1 NE2 CE1 1.0 1.390 108.000 0.000 0 1 np -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.390 108.000 0.000 0 1 c5 0.0100 imid 0 HE1 CE1 1.0 1.080 126.000 -180.000 0 0 h 0.1300 imid 0 HE2 NE2 1.0 1.080 126.000 -180.000 0 0 hn 0.2800 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.1300 imid 0 HI+N 20 0.000 Histidine(positive side chain), positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.3100 pep+ 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.3700 pep+ 0 HN2 N 1.0 1.080 123.000 120.000 0 0 hn 0.3700 pep+ 0 HN3 N 1.0 1.080 123.000 -120.000 0 0 hn 0.3700 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1200 pep+ 0 C CA 1.0 1.530 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3600 pepC 0 CB CA 1.0 1.530 107.000 180.000 0 0 c2 -0.2000 imid 0 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1500 imid 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1500 imid 0 CG CB 1.0 1.390 114.000 -120.000 chi1 1 1 ci 0.1600 imid 1 ND1 CG 1.0 1.390 126.000 0.000 chi2 1 1 ni -0.5000 imid 0 CE1 ND1 1.0 1.390 108.000 180.000 0 1 ci 0.3900 imid 0 NE2 CE1 2.0 1.390 108.000 0.000 0 1 ni -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.390 108.000 0.000 0 1 ci 0.1000 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.3600 imid 0 HE1 CE1 1.0 1.080 126.000 -180.000 0 0 h 0.2500 imid 0 HE2 NE2 1.0 1.080 126.000 -180.000 0 0 hn 0.3600 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.2200 imid 0 HIS+ 18 -6.000 Histidine(positive side chain), polypeptide residue N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.3000 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1200 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3600 pepC 0 CB CA 1.0 1.530 107.000 60.000 0 0 c2 -0.2000 imid 0 CG CB 1.0 1.390 114.000 -120.000 chi1 1 1 ci 0.1600 imid 1 ND1 CG 1.0 1.390 126.000 0.000 chi2 1 1 ni -0.5000 imid 0 CE1 ND1 1.0 1.390 108.000 180.000 0 1 ci 0.3900 imid 0 NE2 CE1 2.0 1.390 108.000 0.000 0 1 ni -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.390 108.000 0.000 0 1 ci 0.1000 imid 0 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1500 imid 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1500 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.3600 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.2500 imid 0 HE2 NE2 1.0 1.080 126.000 180.000 0 0 hn 0.3600 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.2200 imid 0 HI+C 19 0.000 Histidine(positive side chain), negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.3000 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1400 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 107.000 60.000 0 0 c2 -0.2000 imid 0 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1500 imid 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1500 imid 0 CG CB 1.0 1.390 114.000 -120.000 chi1 1 1 ci 0.1600 imid 1 ND1 CG 1.0 1.390 126.000 0.000 chi2 1 1 ni -0.5000 imid 0 CE1 ND1 1.0 1.390 108.000 180.000 0 1 ci 0.3900 imid 0 NE2 CE1 2.0 1.390 108.000 0.000 0 1 ni -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.390 108.000 0.000 0 1 ci 0.1000 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.3600 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.2500 imid 0 HE2 NE2 1.0 1.080 126.000 180.000 0 0 hn 0.3600 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.2200 imid 0 HI+n 19 0.000 Histidine(positive side chain), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1500 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1500 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1200 pepN 0 C CA 1.0 1.530 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3600 pepC 0 CB CA 1.0 1.530 107.000 -120.000 0 0 c2 -0.2000 imid 0 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1500 imid 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1500 imid 0 CG CB 1.0 1.390 114.000 -120.000 chi1 1 1 ci 0.1600 imid 1 ND1 CG 1.0 1.390 126.000 0.000 chi2 1 1 ni -0.5000 imid 0 CE1 ND1 1.0 1.390 108.000 180.000 0 1 ci 0.3900 imid 0 NE2 CE1 2.0 1.390 108.000 0.000 0 1 ni -0.5000 imid 0 CD2 NE2 1.0 CG 2.0 1.390 108.000 0.000 0 1 ci 0.1000 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.3600 imid 0 HE1 CE1 1.0 1.080 126.000 -180.000 0 0 h 0.2500 imid 0 HE2 NE2 1.0 1.080 126.000 -180.000 0 0 hn 0.3600 imid 0 HD2 CD2 1.0 1.080 126.000 -180.000 0 0 h 0.2200 imid 0 HIDN 19 0.000 Histidine(H on ND),positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.447 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 123.000 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 123.000 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.519 111.700 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.250 121.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.531 110.500 -180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.491 114.400 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.377 122.500 0.000 chi2 1 1 np -0.5000 imid 0 CE1 ND1 1.0 1.307 105.600 -180.000 0 1 c5 0.2700 imid 1 NE2 CE1 2.0 1.316 108.000 0.000 0 0 np -0.4200 imid 0 CD2 NE2 1.0 CG 2.0 1.374 106.900 0.000 0 1 c5 0.0100 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.2800 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HD2 CD2 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HISD 17 6.000 Histidine(H on ND),polypeptide residue N C 1.5 * 1.323 116.900 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.447 121.400 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.519 111.700 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.250 121.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.531 110.500 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.491 114.400 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.377 122.500 0.000 chi2 1 1 np -0.5000 imid 0 CE1 ND1 1.0 1.307 105.600 -180.000 0 1 c5 0.2700 imid 1 NE2 CE1 2.0 1.316 108.000 0.000 0 0 np -0.4200 imid 0 CD2 NE2 1.0 CG 2.0 1.374 106.900 0.000 0 1 c5 0.0100 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.2800 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HD2 CD2 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HIDC 18 0.000 Histidine(H on ND),negative C-terminus N C 1.5 * 1.323 116.900 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.447 121.400 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.519 111.700 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.250 121.600 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.250 121.600 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.531 110.500 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.491 114.400 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.377 122.500 0.000 chi2 1 1 np -0.5000 imid 0 CE1 ND1 1.0 1.307 105.600 180.000 0 1 c5 0.2700 imid 1 NE2 CE1 2.0 1.316 108.000 0.000 0 0 np -0.4200 imid 0 CD2 NE2 1.0 CG 2.0 1.374 106.900 0.000 0 1 c5 0.0100 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.2800 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HD2 CD2 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HIDn 18 0.000 Histidine(H on ND),neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.447 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.519 111.700 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.250 121.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.531 110.500 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 0.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 120.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.491 114.400 -120.000 chi1 1 1 c5 0.1000 imid 0 ND1 CG 1.0 1.377 122.500 0.000 chi2 1 1 np -0.5000 imid 0 CE1 ND1 1.0 1.307 105.600 -180.000 0 1 c5 0.2700 imid 1 NE2 CE1 2.0 1.316 108.000 0.000 0 0 np -0.4200 imid 0 CD2 NE2 1.0 CG 2.0 1.374 106.900 0.000 0 1 c5 0.0100 imid 0 HD1 ND1 1.0 1.080 126.000 0.000 0 0 hn 0.2800 imid 0 HE1 CE1 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 HD2 CD2 1.0 1.080 126.000 180.000 0 0 h 0.1300 imid 0 ILEN 21 0.000 Isoleucine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.460 0.000 0.000 0 0 ca 0.0200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1700 pep+ 0 C CA 1.0 1.520 107.400 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 120.000 0.000 0 0 o' -0.3500 pepC 0 CB CA 1.0 1.530 112.500 180.000 0 0 c1 -0.1000 meB 1 HB CB 1.0 1.080 110.000 62.000 0 0 h 0.1400 meB 0 CG2 CB 1.0 1.520 110.000 -178.000 0 0 c3 -0.3000 meG2 1 HG21 CG2 1.0 1.080 110.000 180.000 ch2' 1 0 h 0.1200 meG2 0 HG22 CG2 1.0 1.080 110.000 -60.000 0 0 h 0.1200 meG2 0 HG23 CG2 1.0 1.080 110.000 60.000 0 0 h 0.1200 meG2 0 CG1 CB 1.0 1.520 110.000 -58.000 chi1 1 0 c2 -0.2000 meG1 1 HG11 CG1 1.0 1.080 110.000 -67.000 0 0 h 0.1200 meG1 0 HG12 CG1 1.0 1.080 110.000 53.000 0 0 h 0.1200 meG1 0 CD1 CG1 1.0 1.530 115.000 173.000 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.080 110.000 -180.000 chi3 1 0 h 0.1200 meD1 0 HD12 CD1 1.0 1.080 110.000 -60.000 0 0 h 0.1200 meD1 0 HD13 CD1 1.0 1.080 110.000 60.000 0 0 h 0.1200 meD1 0 ILE 19 0.000 Isoleucine, polypeptide residue N C 1.5 * 1.330 115.800 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.460 123.600 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.520 107.400 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 120.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 112.500 60.000 0 0 c1 -0.1000 meB 1 HB CB 1.0 1.080 110.000 62.000 0 0 h 0.1000 meB 0 CG2 CB 1.0 1.520 110.000 -178.000 0 0 c3 -0.3000 meG2 1 HG21 CG2 1.0 1.080 110.000 180.000 ch2' 1 0 h 0.1000 meG2 0 HG22 CG2 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG2 0 HG23 CG2 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG2 0 CG1 CB 1.0 1.520 110.000 -58.000 chi1 1 0 c2 -0.2000 meG1 1 HG11 CG1 1.0 1.080 110.000 -67.000 0 0 h 0.1000 meG1 0 HG12 CG1 1.0 1.080 110.000 53.000 0 0 h 0.1000 meG1 0 CD1 CG1 1.0 1.530 115.000 173.000 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.080 110.000 -180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD1 0 ILEC 20 0.000 Isoleucine, negative C-terminus N C 1.5 * 1.330 115.800 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.460 123.600 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 112.500 60.000 0 0 c1 -0.1000 meB 1 HB CB 1.0 1.080 110.000 62.000 0 0 h 0.1000 meB 0 CG2 CB 1.0 1.520 110.000 -178.000 0 0 c3 -0.3000 meG2 1 HG21 CG2 1.0 1.080 110.000 180.000 ch2' 1 0 h 0.1000 meG2 0 HG22 CG2 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG2 0 HG23 CG2 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG2 0 CG1 CB 1.0 1.520 110.000 -58.000 chi1 1 0 c2 -0.2000 meG1 1 HG11 CG1 1.0 1.080 110.000 -67.000 0 0 h 0.1000 meG1 0 HG12 CG1 1.0 1.080 110.000 53.000 0 0 h 0.1000 meG1 0 CD1 CG1 1.0 1.530 115.000 173.000 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.080 110.000 180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD1 0 ILEn 20 0.000 Isoleucine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.460 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.520 107.400 -180.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 120.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 112.500 60.000 0 0 c1 -0.1000 meB 1 HB CB 1.0 1.080 110.000 62.000 0 0 h 0.1000 meB 0 CG2 CB 1.0 1.520 110.000 -178.000 0 0 c3 -0.3000 meG2 1 HG21 CG2 1.0 1.080 110.000 180.000 ch2' 1 0 h 0.1000 meG2 0 HG22 CG2 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG2 0 HG23 CG2 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG2 0 CG1 CB 1.0 1.520 110.000 -58.000 chi1 1 0 c2 -0.2000 meG1 1 HG11 CG1 1.0 1.080 110.000 -67.000 0 0 h 0.1000 meG1 0 HG12 CG1 1.0 1.080 110.000 53.000 0 0 h 0.1000 meG1 0 CD1 CG1 1.0 1.530 115.000 173.000 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.080 110.000 -180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD1 0 LEUN 21 0.000 Leucine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.440 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.112 109.436 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.540 112.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.520 112.000 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.112 106.787 63.400 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.109 111.046 -176.600 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 115.000 -56.600 chi1 1 0 c1 -0.1000 meG 1 HG CG 1.0 1.112 109.821 68.000 0 0 h 0.1000 meG 0 CD1 CG 1.0 1.520 115.000 -174.300 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.106 111.815 180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.105 111.871 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.106 112.189 60.000 0 0 h 0.1000 meD1 0 CD2 CG 1.0 1.540 107.000 -48.900 ch2' 1 0 c3 -0.3000 meD2 1 HD21 CD2 1.0 1.106 111.654 180.000 ch3' 1 0 h 0.1000 meD2 0 HD22 CD2 1.0 1.106 112.244 -60.000 0 0 h 0.1000 meD2 0 HD23 CD2 1.0 1.102 112.928 60.000 0 0 h 0.1000 meD2 0 LEU 19 0.000 Leucine, polypeptide residue N C 1.5 * 1.300 116.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.440 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.025 113.471 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.112 109.436 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.540 112.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.520 112.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.112 106.787 63.400 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.109 111.046 -176.600 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 115.000 -56.600 chi1 1 0 c1 -0.1000 meG 1 HG CG 1.0 1.112 109.821 68.000 0 0 h 0.1000 meG 0 CD1 CG 1.0 1.520 115.000 -174.300 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.106 111.815 180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.105 111.871 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.106 112.189 60.000 0 0 h 0.1000 meD1 0 CD2 CG 1.0 1.540 107.000 -48.900 ch2' 1 0 c3 -0.3000 meD2 1 HD21 CD2 1.0 1.106 111.654 180.000 ch3' 1 0 h 0.1000 meD2 0 HD22 CD2 1.0 1.106 112.244 -60.000 0 0 h 0.1000 meD2 0 HD23 CD2 1.0 1.102 112.928 60.000 0 0 h 0.1000 meD2 0 LEUC 20 0.000 Leucine, negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pep- 0 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.0800 pep- 1 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pep- 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.0200 pep- 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.3400 pep- 0 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 pep- 0 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.0600 pep- 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.0600 pep- 0 CG CB 1.0 1.530 116.000 -180.000 chi1 1 0 c1 -0.1000 meG 1 HG CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD1 CG 1.0 1.530 111.000 180.000 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.080 110.000 180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD1 0 CD2 CG 1.0 1.530 111.000 -60.000 0 0 c3 -0.3000 meD2 1 HD21 CD2 1.0 1.080 110.000 -180.000 ch3' 1 0 h 0.1000 meD2 0 HD22 CD2 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD2 0 HD23 CD2 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD2 0 LEUn 20 0.000 Leucine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.440 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.025 113.471 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.025 113.471 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.112 109.436 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.540 112.000 180.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.520 112.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.112 106.787 63.400 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.109 111.046 -176.600 0 0 h 0.1000 meB 0 CG CB 1.0 1.530 115.000 -56.600 chi1 1 0 c1 -0.1000 meG 1 HG CG 1.0 1.112 109.821 68.000 0 0 h 0.1000 meG 0 CD1 CG 1.0 1.520 115.000 -174.300 chi2 1 0 c3 -0.3000 meD1 1 HD11 CD1 1.0 1.106 111.815 180.000 chi3 1 0 h 0.1000 meD1 0 HD12 CD1 1.0 1.105 111.871 -60.000 0 0 h 0.1000 meD1 0 HD13 CD1 1.0 1.106 112.189 60.000 0 0 h 0.1000 meD1 0 CD2 CG 1.0 1.540 107.000 -48.900 ch2' 1 0 c3 -0.3000 meD2 1 HD21 CD2 1.0 1.106 111.654 180.000 ch3' 1 0 h 0.1000 meD2 0 HD22 CD2 1.0 1.106 112.244 -60.000 0 0 h 0.1000 meD2 0 HD23 CD2 1.0 1.102 112.928 60.000 0 0 h 0.1000 meD2 0 LY+N 24 0.000 Lysine(positive side chain), positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.522 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2000 c4n+ 0 HB1 CB 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 CG CB 1.0 1.530 109.500 180.000 chi1 1 0 c2 -0.2000 c4n+ 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 c4n+ 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CE CD 1.0 1.530 111.000 -180.000 chi3 1 0 c2 -0.0800 c4n+ 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1900 c4n+ 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1900 c4n+ 0 NZ CE 1.0 1.480 111.000 180.000 chi4 1 0 n4 -0.5000 c4n+ 0 HZ1 NZ 1.0 1.000 110.000 180.000 chi5 1 0 hn 0.3600 c4n+ 0 HZ2 NZ 1.0 1.000 110.000 -60.000 0 0 hn 0.3600 c4n+ 0 HZ3 NZ 1.0 1.000 110.000 60.000 0 0 hn 0.3600 c4n+ 0 LYS+ 22 -10.530 Lysine(positive side chain), polypeptide residue N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 c4n+ 0 HB1 CB 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 CG CB 1.0 1.530 109.500 -180.000 chi1 1 0 c2 -0.2000 c4n+ 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CD CG 1.0 1.530 111.000 -180.000 chi2 1 0 c2 -0.2000 c4n+ 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CE CD 1.0 1.530 111.000 180.000 chi3 1 0 c2 -0.0800 c4n+ 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1900 c4n+ 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1900 c4n+ 0 NZ CE 1.0 1.480 111.000 -180.000 chi4 1 0 n4 -0.5000 c4n+ 0 HZ1 NZ 1.0 1.000 110.000 -180.000 chi5 1 0 hn 0.3600 c4n+ 0 HZ2 NZ 1.0 1.000 110.000 -60.000 0 0 hn 0.3600 c4n+ 0 HZ3 NZ 1.0 1.000 110.000 60.000 0 0 hn 0.3600 c4n+ 0 LY+C 23 0.000 Lysine(positive side chain), negative C-terminus N C 1.5 * 1.335 116.600 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.449 121.900 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.960 119.800 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 c4n+ 0 HB1 CB 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 CG CB 1.0 1.530 109.500 180.000 chi1 1 0 c2 -0.2000 c4n+ 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 c4n+ 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CE CD 1.0 1.530 111.000 180.000 chi3 1 0 c2 -0.0800 c4n+ 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1900 c4n+ 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1900 c4n+ 0 NZ CE 1.0 1.480 111.000 180.000 chi4 1 0 n4 -0.5000 c4n+ 0 HZ1 NZ 1.0 1.000 110.000 180.000 chi5 1 0 hn 0.3600 c4n+ 0 HZ2 NZ 1.0 1.000 110.000 -60.000 0 0 hn 0.3600 c4n+ 0 HZ3 NZ 1.0 1.000 110.000 60.000 0 0 hn 0.3600 c4n+ 0 LY+n 23 0.000 Lysine(positive side chain), neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.449 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 109.500 -180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.522 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.229 120.400 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.2000 c4n+ 0 HB1 CB 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 HB2 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 CG CB 1.0 1.530 109.500 180.000 chi1 1 0 c2 -0.2000 c4n+ 0 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 c4n+ 0 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1200 c4n+ 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1200 c4n+ 0 CE CD 1.0 1.530 111.000 -180.000 chi3 1 0 c2 -0.0800 c4n+ 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1900 c4n+ 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1900 c4n+ 0 NZ CE 1.0 1.480 111.000 180.000 chi4 1 0 n4 -0.5000 c4n+ 0 HZ1 NZ 1.0 1.000 110.000 180.000 chi5 1 0 hn 0.3600 c4n+ 0 HZ2 NZ 1.0 1.000 110.000 -60.000 0 0 hn 0.3600 c4n+ 0 HZ3 NZ 1.0 1.000 110.000 60.000 0 0 hn 0.3600 c4n+ 0 LYSN 23 0.000 Lysine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 123.000 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 123.000 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.530 110.000 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 meD 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD 0 CE CD 1.0 1.530 111.000 180.000 chi3 1 0 c2 -0.2000 meE 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meE 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 meE 0 NZ CE 1.0 1.480 111.000 -180.000 chi4 1 0 n3 -0.5600 amZ 1 HZ1 NZ 1.0 1.000 110.000 180.000 chi5 1 0 hn 0.2800 amZ 0 HZ2 NZ 1.0 1.000 110.000 0.000 0 0 hn 0.2800 amZ 0 LYS 21 10.530 Lysine, polypeptide residue N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 meD 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD 0 CE CD 1.0 1.530 111.000 180.000 chi3 1 0 c2 -0.2000 meE 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meE 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 meE 0 NZ CE 1.0 1.480 111.000 180.000 chi4 1 0 n3 -0.5600 amZ 1 HZ1 NZ 1.0 1.000 110.000 -180.000 chi5 1 0 hn 0.2800 amZ 0 HZ2 NZ 1.0 1.000 110.000 0.000 0 0 hn 0.2800 amZ 0 LYSC 22 0.000 Lysine, negative C-terminus N C 1.5 * 1.320 115.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.470 121.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.530 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 meD 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD 0 CE CD 1.0 1.530 111.000 -180.000 chi3 1 0 c2 -0.2000 meE 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meE 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 meE 0 NZ CE 1.0 1.480 111.000 180.000 chi4 1 0 n3 -0.5600 amZ 1 HZ1 NZ 1.0 1.000 110.000 180.000 chi5 1 0 hn 0.2800 amZ 0 HZ2 NZ 1.0 1.000 110.000 0.000 0 0 hn 0.2800 amZ 0 LYSn 22 0.000 Lysine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.470 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.530 111.000 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.390 109.500 180.000 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 CD CG 1.0 1.530 111.000 180.000 chi2 1 0 c2 -0.2000 meD 1 HD1 CD 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meD 0 HD2 CD 1.0 1.080 110.000 60.000 0 0 h 0.1000 meD 0 CE CD 1.0 1.530 111.000 180.000 chi3 1 0 c2 -0.2000 meE 1 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meE 0 HE2 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 meE 0 NZ CE 1.0 1.480 111.000 -180.000 chi4 1 0 n3 -0.5600 amZ 1 HZ1 NZ 1.0 1.000 110.000 180.000 chi5 1 0 hn 0.2800 amZ 0 HZ2 NZ 1.0 1.000 110.000 0.000 0 0 hn 0.2800 amZ 0 METN 19 0.000 Methionine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.470 0.000 0.000 omeg 0 0 ca 0.1200 pep+ 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 123.000 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 123.000 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1700 pep+ 0 C CA 1.0 1.530 110.000 -60.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3500 pepC 0 CB CA 1.0 1.530 111.000 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 53.000 0 0 h 0.1300 meB 0 HB2 CB 1.0 1.080 110.000 173.000 0 0 h 0.1300 meB 0 CG CB 1.0 1.530 111.000 -67.000 chi1 1 0 c2 -0.3000 csc 0 HG1 CG 1.0 1.080 110.000 -45.000 0 0 h 0.1200 csc 0 HG2 CG 1.0 1.080 110.000 75.000 0 0 h 0.1200 csc 0 SD CG 1.0 1.785 110.000 -165.000 chi2 1 0 s 0.1200 csc 1 CE SD 1.0 1.785 100.000 -166.000 chi3 1 0 c3 -0.3200 csc 0 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csc 0 HE2 CE 1.0 1.080 110.000 180.000 chi4 1 0 h 0.1000 csc 0 HE3 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 csc 0 MET 17 0.000 Methionine, polypeptide residue N C 1.5 * 1.330 117.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.430 123.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 107.000 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.540 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 53.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 173.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.570 114.000 -67.000 chi1 1 0 c2 -0.3000 csc 0 HG1 CG 1.0 1.080 110.000 -45.000 0 0 h 0.1000 csc 0 HG2 CG 1.0 1.080 110.000 75.000 0 0 h 0.1000 csc 0 SD CG 1.0 1.740 111.000 -165.000 chi2 1 0 s 0.1200 csc 1 CE SD 1.0 1.670 101.000 -166.000 chi3 1 0 c3 -0.3200 csc 0 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csc 0 HE2 CE 1.0 1.080 110.000 -180.000 chi4 1 0 h 0.1000 csc 0 HE3 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 csc 0 METC 18 0.000 Methionine, negative C-terminus N C 1.5 * 1.330 117.000 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.430 123.000 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.540 111.000 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 53.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 173.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.570 114.000 -67.000 chi1 1 0 c2 -0.3000 csc 0 HG1 CG 1.0 1.080 110.000 -45.000 0 0 h 0.1000 csc 0 HG2 CG 1.0 1.080 110.000 75.000 0 0 h 0.1000 csc 0 SD CG 1.0 1.740 111.000 -165.000 chi2 1 0 s 0.1200 csc 1 CE SD 1.0 1.670 101.000 -166.000 chi3 1 0 c3 -0.3200 csc 0 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csc 0 HE2 CE 1.0 1.080 110.000 180.000 chi4 1 0 h 0.1000 csc 0 HE3 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 csc 0 METn 18 0.000 Methionine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.430 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 107.000 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.240 121.000 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.540 111.000 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 53.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 173.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.570 114.000 -67.000 chi1 1 0 c2 -0.3000 csc 0 HG1 CG 1.0 1.080 110.000 -45.000 0 0 h 0.1000 csc 0 HG2 CG 1.0 1.080 110.000 75.000 0 0 h 0.1000 csc 0 SD CG 1.0 1.740 111.000 -165.000 chi2 1 0 s 0.1200 csc 1 CE SD 1.0 1.670 101.000 -166.000 chi3 1 0 c3 -0.3200 csc 0 HE1 CE 1.0 1.080 110.000 -60.000 0 0 h 0.1000 csc 0 HE2 CE 1.0 1.080 110.000 180.000 chi4 1 0 h 0.1000 csc 0 HE3 CE 1.0 1.080 110.000 60.000 0 0 h 0.1000 csc 0 PHEN 22 0.000 Phenylalanine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.436 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.509 109.600 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.263 118.100 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.554 111.600 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 63.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -177.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.472 113.700 -57.000 chi1 1 1 cp 0.0000 arG 1 CD1 CG 1.5 1.376 123.100 87.400 chi2 1 1 cp -0.1000 arD1 1 HD1 CD1 1.0 1.080 120.000 0.000 0 0 h 0.1000 arD1 0 CE1 CD1 1.5 1.368 122.600 180.000 0 1 cp -0.1000 arE1 1 HE1 CE1 1.0 1.080 120.000 180.000 0 0 h 0.1000 arE1 0 CZ CE1 1.5 1.388 118.900 0.000 0 1 cp -0.1000 arZ 1 HZ CZ 1.0 1.080 120.000 180.000 0 0 h 0.1000 arZ 0 CE2 CZ 1.5 1.380 120.600 0.000 0 1 cp -0.1000 arE2 1 HE2 CE2 1.0 1.080 120.000 180.000 0 0 h 0.1000 arE2 0 CD2 CE2 1.5 CG 1.5 1.376 118.000 0.000 0 1 cp -0.1000 arD2 1 HD2 CD2 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arD2 0 PHE 20 0.000 Phenylalanine, polypeptide residue N C 1.5 * 1.348 116.300 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.436 123.100 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.509 109.600 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.263 118.100 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.554 111.600 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 63.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -177.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.472 113.700 -57.000 chi1 1 1 cp 0.0000 arG 1 CD1 CG 1.5 1.376 123.100 87.400 chi2 1 1 cp -0.1000 arD1 1 HD1 CD1 1.0 1.080 120.000 0.000 0 0 h 0.1000 arD1 0 CE1 CD1 1.5 1.368 122.600 180.000 0 1 cp -0.1000 arE1 1 HE1 CE1 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arE1 0 CZ CE1 1.5 1.388 118.900 0.000 0 1 cp -0.1000 arZ 1 HZ CZ 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arZ 0 CE2 CZ 1.5 1.380 120.600 0.000 0 1 cp -0.1000 arE2 1 HE2 CE2 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arE2 0 CD2 CE2 1.5 CG 1.5 1.376 118.000 0.000 0 1 cp -0.1000 arD2 1 HD2 CD2 1.0 1.080 120.000 180.000 0 0 h 0.1000 arD2 0 PHEC 21 0.000 Phenylalanine, negative C-terminus N C 1.5 * 1.348 116.300 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.436 123.100 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.554 111.600 60.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 63.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -177.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.472 113.700 -57.000 chi1 1 1 cp 0.0000 arG 1 CD1 CG 1.5 1.376 123.100 87.400 chi2 1 1 cp -0.1000 arD1 1 HD1 CD1 1.0 1.080 120.000 0.000 0 0 h 0.1000 arD1 0 CE1 CD1 1.5 1.368 122.600 180.000 0 1 cp -0.1000 arE1 1 HE1 CE1 1.0 1.080 120.000 180.000 0 0 h 0.1000 arE1 0 CZ CE1 1.5 1.388 118.900 0.000 0 1 cp -0.1000 arZ 1 HZ CZ 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arZ 0 CE2 CZ 1.5 1.380 120.600 0.000 0 1 cp -0.1000 arE2 1 HE2 CE2 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arE2 0 CD2 CE2 1.5 CG 1.5 1.376 118.000 0.000 0 1 cp -0.1000 arD2 1 HD2 CD2 1.0 1.080 120.000 180.000 0 0 h 0.1000 arD2 0 PHEn 21 0.000 Phenylalanine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5000 pepN 1 CA N 1.0 1.436 0.000 0.000 0 0 ca 0.1200 pepN 0 HN1 N 1.0 1.080 123.000 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 123.000 -180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.509 109.600 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.263 118.100 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.554 111.600 -120.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.080 110.000 63.000 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.080 110.000 -177.000 0 0 h 0.1000 meB 0 CG CB 1.0 1.472 113.700 -57.000 chi1 1 1 cp 0.0000 arG 1 CD1 CG 1.5 1.376 123.100 87.400 chi2 1 1 cp -0.1000 arD1 1 HD1 CD1 1.0 1.080 120.000 0.000 0 0 h 0.1000 arD1 0 CE1 CD1 1.5 1.368 122.600 180.000 0 1 cp -0.1000 arE1 1 HE1 CE1 1.0 1.080 120.000 180.000 0 0 h 0.1000 arE1 0 CZ CE1 1.5 1.388 118.900 0.000 0 1 cp -0.1000 arZ 1 HZ CZ 1.0 1.080 120.000 180.000 0 0 h 0.1000 arZ 0 CE2 CZ 1.5 1.380 120.600 0.000 0 1 cp -0.1000 arE2 1 HE2 CE2 1.0 1.080 120.000 180.000 0 0 h 0.1000 arE2 0 CD2 CE2 1.5 CG 1.5 1.376 118.000 0.000 0 1 cp -0.1000 arD2 1 HD2 CD2 1.0 1.080 120.000 -180.000 0 0 h 0.1000 arD2 0 PRON 16 0.000 Proline, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.527 0.000 0.000 0 0 ca 0.2600 pep+ 0 HN1 N 1.0 0.984 111.259 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 0.998 110.132 128.057 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.095 108.335 -13.694 0 0 h 0.1000 pep+ 0 CD N 1.0 1.483 107.083 -116.565 0 0 c2 0.2200 pep+ 0 HD1 CD 1.0 1.103 109.537 -130.409 0 0 h 0.1000 pep+ 0 HD2 CD 1.0 1.101 108.881 104.705 0 0 h 0.1000 pep+ 0 C CA 1.0 1.527 114.300 -138.175 0 1 c' 0.3800 pepC 1 O C 2.0 1.257 117.902 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.522 106.243 102.860 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.104 109.289 147.581 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.097 109.361 -81.459 0 0 h 0.1000 meB 0 CG CB 1.0 CD 1.0 1.538 100.799 33.591 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.102 114.138 66.367 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.098 106.432 -161.347 0 0 h 0.1000 meG 0 PRO 14 0.000 Proline, polypeptide residue N C 1.5 * 1.337 117.000 180.000 psi 0 1 n -0.4200 pepN 1 CA N 1.0 1.527 121.400 180.000 omeg 0 0 ca 0.0600 pepN 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pepN 0 CD N 1.0 1.483 129.763 17.135 0 0 c2 0.0600 pepN 0 HD1 CD 1.0 1.103 109.537 34.338 0 0 h 0.1000 pepN 0 HD2 CD 1.0 1.101 108.881 -90.548 0 0 h 0.1000 pepN 0 C CA 1.0 1.527 114.300 -60.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.257 117.902 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.522 106.243 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.104 109.289 147.581 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.097 109.361 -81.459 0 0 h 0.1000 meB 0 CG CB 1.0 CD 1.0 1.538 100.799 33.591 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.102 114.138 66.367 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.098 106.432 -161.347 0 0 h 0.1000 meG 0 HPRO 15 0.000 Proline, polypeptide residue N C 1.5 * 1.337 117.000 180.000 psi 0 1 n -0.4200 pepN 1 CA N 1.0 1.527 121.400 180.000 omeg 0 0 ca 0.0600 pepN 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pepN 0 CD N 1.0 1.483 129.763 17.135 0 0 c2 0.0600 pepN 0 HD1 CD 1.0 1.103 109.537 34.338 0 0 h 0.1000 pepN 0 HD2 CD 1.0 1.101 108.881 -90.548 0 0 h 0.1000 pepN 0 C CA 1.0 1.527 114.300 -60.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.257 117.902 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.522 106.243 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.104 109.289 147.581 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.097 109.361 -81.459 0 0 h 0.1000 meB 0 CG CB 1.0 CD 1.0 1.538 100.799 33.591 chi1 1 0 c2 -0.0700 meG 1 HG CG 1.0 1.102 114.138 66.367 0 0 h 0.1000 meG 0 OE CG 1.0 1.393 114.800 -161.347 0 0 oh -0.3800 meG 0 HE OE 1.0 0.920 107.000 -88.000 chi2 1 0 ho 0.3500 meG 0 PROC 15 0.000 Proline, negative C-terminus N C 1.5 * 1.337 117.000 180.000 psi 0 1 n -0.4200 pepN 1 CA N 1.0 1.527 121.400 -180.000 omeg 0 0 ca 0.0600 pepN 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pepN 0 CD N 1.0 1.483 129.763 17.135 0 0 c2 0.0600 pepN 0 HD1 CD 1.0 1.103 109.537 34.338 0 0 h 0.1000 pepN 0 HD2 CD 1.0 1.101 108.881 -90.548 0 0 h 0.1000 pepN 0 C CA 1.0 1.527 110.000 -60.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.257 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.275 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.522 106.243 180.000 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.104 109.289 147.581 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.097 109.361 -81.459 0 0 h 0.1000 meB 0 CG CB 1.0 CD 1.0 1.538 100.799 33.591 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.102 114.138 66.367 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.098 106.432 -161.347 0 0 h 0.1000 meG 0 PROn 15 0.000 Proline, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.5200 pepN 1 CA N 1.0 1.527 0.000 0.000 0 0 ca 0.0200 pepN 0 HN N 1.0 1.000 110.132 0.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 1.080 110.000 109.882 0 0 h 0.1000 pepN 0 CD N 1.0 1.483 107.083 115.378 0 0 c2 0.0600 pepN 0 HD1 CD 1.0 1.103 109.537 -130.409 0 0 h 0.1000 pepN 0 HD2 CD 1.0 1.101 108.881 104.705 0 0 h 0.1000 pepN 0 C CA 1.0 1.527 114.300 -10.118 0 1 c' 0.3800 pepC 1 O C 2.0 1.257 117.902 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.522 106.243 -129.083 0 0 c2 -0.2000 meB 1 HB1 CB 1.0 1.104 109.289 147.581 0 0 h 0.1000 meB 0 HB2 CB 1.0 1.097 109.361 -81.459 0 0 h 0.1000 meB 0 CG CB 1.0 CD 1.0 1.538 100.799 33.591 chi1 1 0 c2 -0.2000 meG 1 HG1 CG 1.0 1.102 114.138 66.367 0 0 h 0.1000 meG 0 HG2 CG 1.0 1.098 106.432 -161.347 0 0 h 0.1000 meG 0 SERN 13 0.000 Serine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.448 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 0.950 109.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.512 111.800 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.231 123.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.525 110.400 180.000 0 0 c2 -0.1700 coh 0 HB1 CB 1.0 1.260 105.000 -170.000 0 0 h 0.1000 coh 0 HB2 CB 1.0 0.990 109.000 -50.000 0 0 h 0.1000 coh 0 OG CB 1.0 1.393 114.800 70.000 chi1 1 0 oh -0.3800 coh 1 HG OG 1.0 0.920 107.000 -88.000 chi2 1 0 ho 0.3500 coh 0 SER 11 0.000 Serine, polypeptide residue N C 1.5 * 1.322 119.800 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.448 121.800 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.830 127.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 0.950 109.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.512 111.800 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.231 123.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.525 110.400 60.000 0 0 c2 -0.1700 coh 0 HB1 CB 1.0 1.260 105.000 -170.000 0 0 h 0.1000 coh 0 HB2 CB 1.0 0.990 109.000 -50.000 0 0 h 0.1000 coh 0 OG CB 1.0 1.393 114.800 70.000 chi1 1 0 oh -0.3800 coh 1 HG OG 1.0 0.920 107.000 -88.000 chi2 1 0 ho 0.3500 coh 0 SERC 12 0.000 Serine, negative C-terminus N C 1.5 * 1.322 119.800 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.448 121.800 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 0.830 127.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 0.950 109.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.530 110.000 180.000 phi 0 1 c- 0.1400 pep- 1 O C 1.5 1.240 121.000 0.000 0 0 o- -0.5700 pep- 0 OXT C 1.5 1.240 121.000 180.000 0 0 o- -0.5700 pep- 0 CB CA 1.0 1.525 110.400 60.000 0 0 c2 -0.1700 coh 0 HB1 CB 1.0 1.260 105.000 -170.000 0 0 h 0.1000 coh 0 HB2 CB 1.0 0.990 109.000 -50.000 0 0 h 0.1000 coh 0 OG CB 1.0 1.393 114.800 70.000 chi1 1 0 oh -0.3800 coh 1 HG OG 1.0 0.920 107.000 -88.000 chi2 1 0 ho 0.3500 coh 0 SERn 12 0.000 Serine, neutral N-terminus N N 1.0 0.000 0.000 0.000 0 0 n3 -0.4000 pepN 1 CA N 1.0 1.448 0.000 0.000 0 0 ca 0.0200 pepN 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.1400 pepN 0 HN2 N 1.0 1.080 109.500 180.000 0 0 hn 0.1400 pepN 0 HA CA 1.0 0.950 109.000 120.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.512 111.800 0.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.231 123.600 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.525 110.400 -120.000 0 0 c2 -0.1700 coh 0 HB1 CB 1.0 1.260 105.000 -170.000 0 0 h 0.1000 coh 0 HB2 CB 1.0 0.990 109.000 -50.000 0 0 h 0.1000 coh 0 OG CB 1.0 1.393 114.800 70.000 chi1 1 0 oh -0.3800 coh 1 HG OG 1.0 0.920 107.000 -88.000 chi2 1 0 ho 0.3500 coh 0 THRN 16 0.000 Threonine, positive N-terminus N N 1.0 0.000 0.000 0.000 0 0 n4 -0.5000 pep+ 1 CA N 1.0 1.452 0.000 0.000 0 0 ca 0.3200 pep+ 0 HN1 N 1.0 1.080 109.500 0.000 0 0 hn 0.3600 pep+ 0 HN2 N 1.0 1.080 109.500 120.000 0 0 hn 0.3600 pep+ 0 HN3 N 1.0 1.080 109.500 -120.000 0 0 hn 0.3600 pep+ 0 HA CA 1.0 1.080 110.000 60.000 0 0 h 0.1000 pep+ 0 C CA 1.0 1.539 112.600 -60.000 0 1 c' 0.3800 pepC 1 O C 2.0 1.215 120.900 0.000 0 0 o' -0.3800 pepC 0 CB CA 1.0 1.519 110.200 180.000 0 0 c1 -0.0700 cBoh 0 HB CB 1.0 1.080 110.000 60.000 0 0 h 0.1000 cBoh 0 OG1 CB 1.0 1.432 104.900 -60.000 chi1 1 0 oh -0.3800 cBoh 1 HG1 OG1 1.0 1.000 110.000 180.000 chi2 1 0 ho 0.3500 cBoh 0 CG2 CB 1.0 1.513 111.400 180.000 0 0 c3 -0.3000 meG 1 HG21 CG2 1.0 1.080 110.000 180.000 ch2' 1 0 h 0.1000 meG 0 HG22 CG2 1.0 1.080 110.000 -60.000 0 0 h 0.1000 meG 0 HG23 CG2 1.0 1.080 110.000 60.000 0 0 h 0.1000 meG 0 THR 14 0.000 Threonine, polypeptide residue N C 1.5 * 1.334 118.200 180.000 psi 0 1 n -0.5000 pepN 1 CA N 1.0 1.452 123.700 180.000 omeg 0 0 ca 0.1200 pepN 0 HN N 1.0 1.080 123.000 0.000 0 0 hn 0.2800 pepN 0 HA CA 1.0 1.080 110.000 -60.000 0 0 h 0.1000 pepN 0 C CA 1.0 1.539 112.600 180.000 phi 0 1 c' 0.3800 pepC 1 O C 2.0 1.215 120.900 0.000 0 0 o' -0.3800 pepC 0