TRP
sasa= 249.003
numAtoms= 14
numHAtoms= 10
numBonds= 15
numBonds_H= 10
numAngles= 20
numDihedrals= 2
numImpropers= 1
Atom   N     -1.8130   -1.4640   -1.2400    21.760	-0.427579	*N 
Atom   C     -1.6320    0.3710   -2.8020    19.900	0.584129        *C 
Atom   CA    -1.2790   -0.1170   -1.4020    21.130	-0.020082       *CT
Atom   O     -1.2530   -0.2560   -3.8030    19.940	-0.494730       *O 
Atom   CB     0.2370   -0.1020   -1.2310    21.630	-0.098364	*CT
Atom   CG     0.7070   -0.6000    0.0750    24.210	-0.099797	*C*
Atom   CD1    0.9620   -1.8940    0.4060    26.610	-0.174053	*CW
Atom   CD2    1.0070    0.1810    1.2410    27.260	0.089641	*CB
Atom   NE1    1.3990   -1.9760    1.7080    28.690	-0.298433	*NA
Atom   CE2    1.4370   -0.7160    2.2480    28.230	0.141523	*CN
Atom   CE3    0.9540    1.5520    1.5440    28.420	-0.153992	*CA
Atom   CZ2    1.8130   -0.2930    3.5340    28.920	-0.210701	*CA
Atom   CZ3    1.3220    1.9760    2.8260    29.390	-0.164054	*CA
Atom   CH2    1.7490    1.0520    3.8030    29.690	-0.133022	*CA
HAtom  HN 						0.241716	*H
HAtom  HA 						0.106629	*H1
HAtom 1HB 						0.065424	*HC
HAtom 2HB						0.065424 	*HC
HAtom  HD1						0.170633	*H4
HAtom  HE1						0.322375	*H
HAtom  HE3						0.123084	*HA
HAtom  HZ2						0.125512	*HA
HAtom  HZ3						0.119250	*HA
HAtom  HH2						0.119467	*HA
BOND  C   +N			1.3294    !0.0170	490.0    1.335	//checked
Bond  N    CA 			1.4586    !0.0210	337.0    1.475
Bond  CA   C  			1.5234    !0.0205	317.0    1.522
Bond  C    O  			1.2330    !0.0199	570.0    1.229
Bond  CA   CB 			1.5329    !0.0230	310.0    1.526
Bond  CB   CG 			1.4985    !0.0259	317.0    1.495
Bond  CG   CD1			1.3662    !0.0184	546.0    1.352
Bond  CG   CD2			1.4325    !0.0158	388.0    1.459
Bond  CD1  NE1			1.3736    !0.0125	427.0    1.381
Bond  CD2  CE2			1.4100    !0.0153	447.0    1.419
Bond  CD2  CE3			1.4000    !0.0146	469.0    1.404
Bond  NE1  CE2			1.3704    !0.0095	428.0    1.380
Bond  CE2  CZ2			1.3956    !0.0180	469.0    1.400
Bond  CE3  CZ3			1.3861    !0.0236	469.0    1.400
Bond  CZ2  CH2			1.3693    !0.0187 	469.0    1.400
Bond  CZ3  CH2			1.4015    !0.0214 	469.0    1.400
Bond_H  N    HN 					434.0    1.010
Bond_H  CA   HA   					340.0    1.090
Bond_H  CB  1HB   					340.0    1.090
Bond_H  CB  2HB   					340.0    1.090
Bond_H  CD1  HD1					367.0    1.080
Bond_H  NE1  HE1					434.0    1.010
Bond_H  CE3  HE3					367.0    1.080
Bond_H  CZ2  HZ2					367.0    1.080
Bond_H  CZ3  HZ3					367.0    1.080
Bond_H  CH2  HH2					367.0    1.080
Angle  O    C   +N              122.6878  !2.3980	80.0      122.90		//checked
Angle  CA   C   +N              116.7369  !3.0367	70.0      116.60		//checked
Angle -C    N    CA             121.4523  !3.5617 	50.0      121.90		//checked
Angle  N    CA   C  		110.8743  !4.0720	63.0      110.10	//error
Angle  CA   C    O  		120.5804  !2.1176	80.0      120.40
Angle  N    CA   CB 		110.5170  !2.9155	80.0      109.70
Angle  C    CA   CB 		109.7639  !3.4124	63.0      111.10
Angle  CA   CB   CG 		114.0951  !4.2342	63.0      115.60	//error
Angle  CB   CG   CD1		127.0576  !1.7833	70.0      125.00
Angle  CB   CG   CD2		126.6152  !1.9224	70.0      128.60
Angle  CD1  CG   CD2		126.6152  !1.9224	63.0      106.40
Angle  CG   CD1  NE1		110.1640  !1.0976	70.0      108.70
Angle  CG   CD2  CE2 		107.2688  !0.8922	63.0      108.80
Angle  CG   CD2  CE3		133.9613  !0.9471	63.0      134.90
Angle  CD1  NE1  CE2		108.9496  !1.1292	70.0      111.60
Angle  CD2  CE2  NE1		107.3589  !0.9726	70.0      104.40
Angle  CD2  CE2  CZ2		122.4475  !0.7014	63.0      122.70
Angle  NE1  CE2  CZ2		130.1568  !0.9380	70.0      132.80
Angle  CE2  CD2  CE3		118.7505  !1.1269	63.0      122.70
Angle  CD2  CE3  CZ3		118.7532  !1.0378	63.0      120.00
Angle  CE2  CZ2  CH2		117.4663  !0.9956 	63.0      120.00
Angle  CE3  CZ3  CH2		121.0471  !1.1388	50.0      120.00
Angle  CZ2  CH2  CZ3		121.4555  !1.0873	50.0      120.00
Dihedral -CA  -C    N    CA     180.0     !2.0000	////added 
Dihedral  N    CA   CB   CG 
Dihedral  CA   CB   CG   CD1
Improper  CD1  CD2  CG   CB 