set: normal     ACE CH3 type: CT charge: -0.0293
     ACE C type: C charge: 0.5972
     ACE O type: O charge: -0.5679
     ALA N type: N charge: -0.1438
     ALA CA type: CT charge: 0.1160
     ALA CB type: CT charge: -0.0016
     ALA C type: C charge: 0.5973
     ALA O type: O charge: -0.5679
     ARG N type: N charge: -0.0732
     ARG CA type: CT charge: -0.1077
     ARG CB type: CT charge: 0.0647
     ARG CG type: CT charge: 0.0960
     ARG CD type: CT charge: 0.1860
     ARG NE type: N2 charge: -0.1839
     ARG CZ type: CA charge: 0.8076
     ARG NH1 type: N2 charge: 0.0329
     ARG NH2 type: N2 charge: 0.0329
     ARG C type: C charge: 0.7341
     ARG O type: O charge: -0.5894
     ASH N type: N charge: -0.1438
     ASH CA type: CT charge: 0.1205
     ASH CB type: CT charge: 0.0660
     ASH CG type: C charge: 0.6462
     ASH OD1 type: O charge: -0.5554
     ASH OD2 type: OH charge: -0.1629
     ASH C type: C charge: 0.5973
     ASH O type: O charge: -0.5679
     ASN N type: N charge: -0.1438
     ASN CA type: CT charge: 0.1191
     ASN CB type: CT charge: -0.0447
     ASN CG type: C charge: 0.7130
     ASN OD1 type: O charge: -0.5931
     ASN ND2 type: N charge: -0.0799
     ASN C type: C charge: 0.5973
     ASN O type: O charge: -0.5679
     ASP N type: N charge: -0.2227
     ASP CA type: CT charge: 0.1261
     ASP CB type: CT charge: -0.0547
     ASP CG type: C charge: 0.7994
     ASP OD1 type: O2 charge: -0.8014
     ASP OD2 type: O2 charge: -0.8014
     ASP C type: C charge: 0.5366
     ASP O type: O charge: -0.5819
     CYM N type: N charge: -0.2110
     CYM CA type: CT charge: 0.0830
     CYM CB type: CT charge: -0.2480
     CYM SG type: SH charge: -0.7360
     CYM C type: C charge: 0.6160
     CYM O type: O charge: -0.5040
     CYS N type: N charge: -0.1438
     CYS CA type: CT charge: 0.1337
     CYS CB type: CT charge: 0.0993
     CYS SG type: SH charge: -0.1186
     CYS C type: C charge: 0.5973
     CYS O type: O charge: -0.5679
     CYX N type: N charge: -0.1438
     CYX CA type: CT charge: 0.1195
     CYX CB type: CT charge: 0.1030
     CYX SG type: S charge: -0.1081
     CYX C type: C charge: 0.5973
     CYX O type: O charge: -0.5679
     GLN N type: N charge: -0.1438
     GLN CA type: CT charge: 0.0819
     GLN CB type: CT charge: 0.0306
     GLN CG type: CT charge: 0.0059
     GLN CD type: C charge: 0.6951
     GLN OE1 type: O charge: -0.6086
     GLN NE2 type: N charge: -0.0905
     GLN C type: C charge: 0.5973
     GLN O type: O charge: -0.5679
     GLU N type: N charge: -0.2227
     GLU CA type: CT charge: 0.1502
     GLU CB type: CT charge: 0.0214
     GLU CG type: CT charge: -0.0714
     GLU CD type: C charge: 0.8054
     GLU OE1 type: O2 charge: -0.8188
     GLU OE2 type: O2 charge: -0.8188
     GLU C type: C charge: 0.5366
     GLU O type: O charge: -0.5819
     GLY N type: N charge: -0.1438
     GLY CA type: CT charge: 0.1144
     GLY C type: C charge: 0.5973
     GLY O type: O charge: -0.5679
     HID N type: N charge: -0.1438
     HID CA type: CT charge: 0.1069
     HID CB type: CT charge: 0.0342
     HID CG type: CC charge: -0.0266
     HID ND1 type: NA charge: -0.0162
     HID CD2 type: CV charge: 0.2439
     HID CE1 type: CR charge: 0.3449
     HID NE2 type: NB charge: -0.5727
     HID C type: C charge: 0.5973
     HID O type: O charge: -0.5679
     HIE N type: N charge: -0.1438
     HIE CA type: CT charge: 0.0779
     HIE CB type: CT charge: 0.0660
     HIE CG type: CC charge: 0.1868
     HIE ND1 type: NB charge: -0.5432
     HIE CD2 type: CW charge: -0.0345
     HIE CE1 type: CR charge: 0.3070
     HIE NE2 type: NA charge: 0.0544
     HIE C type: C charge: 0.5973
     HIE O type: O charge: -0.5679
     HIP N type: N charge: -0.0732
     HIP CA type: CT charge: -0.0142
     HIP CB type: CT charge: 0.1206
     HIP CG type: CC charge: -0.0012
     HIP ND1 type: NA charge: 0.4670
     HIP CD2 type: CW charge: -0.1141
     HIP CE1 type: CR charge: 0.2511
     HIP NE2 type: NA charge: 0.2193
     HIP C type: C charge: 0.7341
     HIP O type: O charge: -0.5894
     ILE N type: N charge: -0.1438
     ILE CA type: CT charge: 0.0272
     ILE CB type: CT charge: 0.1490
     ILE CG1 type: CT charge: 0.0042
     ILE CG2 type: CT charge: -0.0558
     ILE CD1 type: CT charge: -0.0102
     ILE C type: C charge: 0.5973
     ILE O type: O charge: -0.5679
     LEU N type: N charge: -0.1438
     LEU CA type: CT charge: 0.0404
     LEU CB type: CT charge: -0.0188
     LEU CG type: CT charge: 0.3170
     LEU CD1 type: CT charge: -0.1121
     LEU CD2 type: CT charge: -0.1121
     LEU C type: C charge: 0.5973
     LEU O type: O charge: -0.5679
     LYS N type: N charge: -0.0732
     LYS CA type: CT charge: -0.0974
     LYS CB type: CT charge: 0.0630
     LYS CG type: CT charge: 0.0393
     LYS CD type: CT charge: 0.0763
     LYS CE type: CT charge: 0.2127
     LYS NZ type: N3 charge: 0.6346
     LYS C type: C charge: 0.7341
     LYS O type: O charge: -0.5894
     MET N type: N charge: -0.1438
     MET CA type: CT charge: 0.0643
     MET CB type: CT charge: 0.0824
     MET CG type: CT charge: 0.0898
     MET SD type: S charge: -0.2737
     MET CE type: CT charge: 0.1516
     MET C type: C charge: 0.5973
     MET O type: O charge: -0.5679
     NME N type: N charge: -0.1438
     NME CH3 type: CT charge: 0.1438
     PHE N type: N charge: -0.1438
     PHE CA type: CT charge: 0.0954
     PHE CB type: CT charge: 0.0247
     PHE CG type: CA charge: 0.0118
     PHE CD1 type: CA charge: 0.0074
     PHE CD2 type: CA charge: 0.0074
     PHE CE1 type: CA charge: -0.0274
     PHE CE2 type: CA charge: -0.0274
     PHE CZ type: CA charge: 0.0225
     PHE C type: C charge: 0.5973
     PHE O type: O charge: -0.5679
     PRO N type: N charge: -0.2548
     PRO CA type: CT charge: 0.0375
     PRO CB type: CT charge: 0.0436
     PRO CG type: CT charge: 0.0615
     PRO CD type: CT charge: 0.0974
     PRO C type: C charge: 0.5896
     PRO O type: O charge: -0.5748
     SER N type: N charge: -0.1438
     SER CA type: CT charge: 0.0594
     SER CB type: CT charge: 0.2821
     SER OG type: OH charge: -0.2271
     SER C type: C charge: 0.5973
     SER O type: O charge: -0.5679
     THR N type: N charge: -0.1438
     THR CA type: CT charge: 0.0618
     THR CB type: CT charge: 0.3697
     THR OG1 type: OH charge: -0.2659
     THR CG2 type: CT charge: -0.0512
     THR C type: C charge: 0.5973
     THR O type: O charge: -0.5679
     TRP N type: N charge: -0.1438
     TRP CA type: CT charge: 0.0848
     TRP CB type: CT charge: 0.0628
     TRP CG type: C* charge: -0.1415
     TRP CD1 type: CW charge: 0.0424
     TRP CD2 type: CB charge: 0.1243
     TRP NE1 type: NA charge: -0.0006
     TRP CE2 type: CN charge: 0.1380
     TRP CE3 type: CA charge: -0.0687
     TRP CZ2 type: CA charge: -0.1029
     TRP CZ3 type: CA charge: -0.0525
     TRP CH2 type: CA charge: 0.0283
     TRP C type: C charge: 0.5973
     TRP O type: O charge: -0.5679
     TYR N type: N charge: -0.1438
     TYR CA type: CT charge: 0.0862
     TYR CB type: CT charge: 0.0438
     TYR CG type: CA charge: -0.0011
     TYR CD1 type: CA charge: -0.0207
     TYR CD2 type: CA charge: -0.0207
     TYR CE1 type: CA charge: -0.0685
     TYR CE2 type: CA charge: -0.0685
     TYR CZ type: C charge: 0.3226
     TYR OH type: OH charge: -0.1587
     TYR C type: C charge: 0.5973
     TYR O type: O charge: -0.5679
     VAL N type: N charge: -0.1438
     VAL CA type: CT charge: 0.0094
     VAL CB type: CT charge: 0.2688
     VAL CG1 type: CT charge: -0.0819
     VAL CG2 type: CT charge: -0.0819
     VAL C type: C charge: 0.5973
     VAL O type: O charge: -0.5679
set: n_terminal     ALA N type: N3 charge: 0.7405
     ALA CA type: CT charge: 0.1851
     ALA CB type: CT charge: 0.0303
     ALA C type: C charge: 0.6163
     ALA O type: O charge: -0.5722
     ARG N type: N3 charge: 0.7554
     ARG CA type: CT charge: 0.1019
     ARG CB type: CT charge: 0.0570
     ARG CG type: CT charge: 0.0854
     ARG CD type: CT charge: 0.1989
     ARG NE type: N2 charge: -0.2058
     ARG CZ type: CA charge: 0.8281
     ARG NH1 type: N2 charge: 0.0295
     ARG NH2 type: N2 charge: 0.0295
     ARG C type: C charge: 0.7214
     ARG O type: O charge: -0.6013
     ASN N type: N3 charge: 0.7564
     ASN CA type: CT charge: 0.1599
     ASN CB type: CT charge: 0.0747
     ASN CG type: C charge: 0.5833
     ASN OD1 type: O charge: -0.5744
     ASN ND2 type: N charge: -0.0440
     ASN C type: C charge: 0.6163
     ASN O type: O charge: -0.5722
     ASP N type: N3 charge: 0.7382
     ASP CA type: CT charge: 0.1433
     ASP CB type: CT charge: -0.0573
     ASP CG type: C charge: 0.8194
     ASP OD1 type: O2 charge: -0.8084
     ASP OD2 type: O2 charge: -0.8084
     ASP C type: C charge: 0.5621
     ASP O type: O charge: -0.5889
     CYS N type: N3 charge: 0.7394
     CYS CA type: CT charge: 0.2338
     CYS CB type: CT charge: 0.1181
     CYS SG type: SH charge: -0.1323
     CYS C type: C charge: 0.6123
     CYS O type: O charge: -0.5713
     CYX N type: N3 charge: 0.7514
     CYX CA type: CT charge: 0.1977
     CYX CB type: CT charge: 0.1083
     CYX SG type: S charge: -0.0984
     CYX C type: C charge: 0.6123
     CYX O type: O charge: -0.5713
     GLN N type: N3 charge: 0.7481
     GLN CA type: CT charge: 0.1551
     GLN CB type: CT charge: 0.0751
     GLN CG type: CT charge: -0.0241
     GLN CD type: C charge: 0.7354
     GLN OE1 type: O charge: -0.6133
     GLN NE2 type: N charge: -0.1173
     GLN C type: C charge: 0.6123
     GLN O type: O charge: -0.5713
     GLU N type: N3 charge: 0.7190
     GLU CA type: CT charge: 0.1790
     GLU CB type: CT charge: 0.0445
     GLU CG type: CT charge: -0.0866
     GLU CD type: C charge: 0.8087
     GLU OE1 type: O2 charge: -0.8189
     GLU OE2 type: O2 charge: -0.8189
     GLU C type: C charge: 0.5621
     GLU O type: O charge: -0.5889
     GLY N type: N3 charge: 0.7869
     GLY CA type: CT charge: 0.1690
     GLY C type: C charge: 0.6163
     GLY O type: O charge: -0.5722
     HID N type: N3 charge: 0.7431
     HID CA type: CT charge: 0.1922
     HID CB type: CT charge: 0.0677
     HID CG type: CC charge: -0.0399
     HID ND1 type: NA charge: -0.0187
     HID CD2 type: CV charge: 0.2345
     HID CE1 type: CR charge: 0.3512
     HID NE2 type: NB charge: -0.5711
     HID C type: C charge: 0.6123
     HID O type: O charge: -0.5713
     HIE N type: N3 charge: 0.7520
     HIE CA type: CT charge: 0.1616
     HIE CB type: CT charge: 0.0935
     HIE CG type: CC charge: 0.1740
     HIE ND1 type: NB charge: -0.5579
     HIE CD2 type: CW charge: -0.0386
     HIE CE1 type: CR charge: 0.3201
     HIE NE2 type: NA charge: 0.0543
     HIE C type: C charge: 0.6123
     HIE O type: O charge: -0.5713
     HIP N type: N3 charge: 0.7672
     HIP CA type: CT charge: 0.1628
     HIP CB type: CT charge: 0.1546
     HIP CG type: CC charge: -0.0236
     HIP ND1 type: NA charge: 0.2311
     HIP CD2 type: CW charge: 0.1062
     HIP CE1 type: CR charge: 0.2634
     HIP NE2 type: NA charge: 0.2182
     HIP C type: C charge: 0.7214
     HIP O type: O charge: -0.6013
     ILE N type: N3 charge: 0.7298
     ILE CA type: CT charge: 0.1288
     ILE CB type: CT charge: 0.2098
     ILE CG1 type: CT charge: 0.0015
     ILE CD1 type: CT charge: -0.0230
     ILE CG2 type: CT charge: -0.0879
     ILE C type: C charge: 0.6123
     ILE O type: O charge: -0.5713
     LEU N type: N3 charge: 0.7454
     LEU CA type: CT charge: 0.1157
     LEU CB type: CT charge: 0.0268
     LEU CG type: CT charge: 0.3041
     LEU CD1 type: CT charge: -0.1166
     LEU CD2 type: CT charge: -0.1164
     LEU C type: C charge: 0.6123
     LEU O type: O charge: -0.5713
     LYS N type: N3 charge: 0.7461
     LYS CA type: CT charge: 0.1165
     LYS CB type: CT charge: 0.0778
     LYS CG type: CT charge: 0.0194
     LYS CD type: CT charge: 0.0658
     LYS CE type: CT charge: 0.2161
     LYS NZ type: N3 charge: 0.6382
     LYS C type: C charge: 0.7214
     LYS O type: O charge: -0.6013
     MET N type: N3 charge: 0.7544
     MET CA type: CT charge: 0.1337
     MET CB type: CT charge: 0.1115
     MET CG type: CT charge: 0.0918
     MET SD type: S charge: -0.2774
     MET CE type: CT charge: 0.1450
     MET C type: C charge: 0.6123
     MET O type: O charge: -0.5713
     PHE N type: N3 charge: 0.7500
     PHE CA type: CT charge: 0.1774
     PHE CB type: CT charge: 0.0538
     PHE CG type: CA charge: 0.0031
     PHE CD1 type: CA charge: -0.0018
     PHE CD2 type: CA charge: -0.0017
     PHE CE1 type: CA charge: -0.0169
     PHE CE2 type: CA charge: -0.0170
     PHE CZ type: CA charge: 0.0121
     PHE C type: C charge: 0.6123
     PHE O type: O charge: -0.5713
     PRO N type: N3 charge: 0.4220
     PRO CA type: CT charge: 0.2000
     PRO CB type: CT charge: 0.0850
     PRO CG type: CT charge: 0.0790
     PRO CD type: CT charge: 0.1880
     PRO C type: C charge: 0.5260
     PRO O type: O charge: -0.5000
     SER N type: N3 charge: 0.7543
     SER CA type: CT charge: 0.1349
     SER CB type: CT charge: 0.3142
     SER OG type: OH charge: -0.2475
     SER C type: C charge: 0.6163
     SER O type: O charge: -0.5722
     THR N type: N3 charge: 0.7614
     THR CA type: CT charge: 0.1121
     THR CB type: CT charge: 0.4191
     THR OG1 type: OH charge: -0.2694
     THR CG2 type: CT charge: -0.0673
     THR C type: C charge: 0.6163
     THR O type: O charge: -0.5722
     TRP N type: N3 charge: 0.7577
     TRP CA type: CT charge: 0.1583
     TRP CB type: CT charge: 0.0987
     TRP CG type: C* charge: -0.1654
     TRP CD1 type: CW charge: 0.0407
     TRP CD2 type: CB charge: 0.1132
     TRP NE1 type: NA charge: -0.0032
     TRP CE2 type: CN charge: 0.1575
     TRP CE3 type: CA charge: -0.0619
     TRP CZ2 type: CA charge: -0.1121
     TRP CZ3 type: CA charge: -0.0576
     TRP CH2 type: CA charge: 0.0331
     TRP C type: C charge: 0.6123
     TRP O type: O charge: -0.5713
     TYR N type: N3 charge: 0.7559
     TYR CA type: CT charge: 0.1553
     TYR CB type: CT charge: 0.0863
     TYR CG type: CA charge: -0.0205
     TYR CD1 type: CA charge: -0.0282
     TYR CD2 type: CA charge: -0.0282
     TYR CE1 type: CA charge: -0.0589
     TYR CE2 type: CA charge: -0.0589
     TYR CZ type: C charge: 0.3139
     TYR OH type: OH charge: -0.1577
     TYR C type: C charge: 0.6123
     TYR O type: O charge: -0.5713
     VAL N type: N3 charge: 0.7393
     VAL CA type: CT charge: 0.1039
     VAL CB type: CT charge: 0.2975
     VAL CG1 type: CT charge: -0.0924
     VAL CG2 type: CT charge: -0.0924
     VAL C type: C charge: 0.6163
     VAL O type: O charge: -0.5722
set: c_terminal     ALA N type: N charge: -0.1140
     ALA CA type: CT charge: -0.0680
     ALA CB type: CT charge: 0.0199
     ALA C type: C charge: 0.7731
     ALA O type: O2 charge: -0.8055
     ALA OXT type: O2 charge: -0.8055
     ARG N type: N charge: -0.0717
     ARG CA type: CT charge: -0.1621
     ARG CB type: CT charge: 0.0368
     ARG CG type: CT charge: 0.1114
     ARG CD type: CT charge: 0.2050
     ARG NE type: N2 charge: -0.2085
     ARG CZ type: CA charge: 0.8368
     ARG NH1 type: N2 charge: 0.0249
     ARG NH2 type: N2 charge: 0.0249
     ARG C type: C charge: 0.8557
     ARG O type: O2 charge: -0.8266
     ARG OXT type: O2 charge: -0.8266
     ASN N type: N charge: -0.1140
     ASN CA type: CT charge: -0.0722
     ASN CB type: CT charge: -0.0253
     ASN CG type: C charge: 0.7153
     ASN OD1 type: O charge: -0.6010
     ASN ND2 type: N charge: -0.0784
     ASN C type: C charge: 0.8050
     ASN O type: O2 charge: -0.8147
     ASN OXT type: O2 charge: -0.8147
     ASP N type: N charge: -0.2137
     ASP CA type: CT charge: -0.0771
     ASP CB type: CT charge: -0.1101
     ASP CG type: C charge: 0.8851
     ASP OD1 type: O2 charge: -0.8162
     ASP OD2 type: O2 charge: -0.8162
     ASP C type: C charge: 0.7256
     ASP O type: O2 charge: -0.7887
     ASP OXT type: O2 charge: -0.7887
     CYS N type: N charge: -0.1140
     CYS CA type: CT charge: -0.0239
     CYS CB type: CT charge: 0.0878
     CYS SG type: SH charge: -0.1034
     CYS C type: C charge: 0.7497
     CYS O type: O2 charge: -0.7981
     CYS OXT type: O2 charge: -0.7981
     CYX N type: N charge: -0.1140
     CYX CA type: CT charge: -0.0380
     CYX CB type: CT charge: 0.0513
     CYX SG type: S charge: -0.0529
     CYX C type: C charge: 0.7618
     CYX O type: O2 charge: -0.8041
     CYX OXT type: O2 charge: -0.8041
     GLN N type: N charge: -0.1140
     GLN CA type: CT charge: -0.1016
     GLN CB type: CT charge: 0.0240
     GLN CG type: CT charge: 0.0196
     GLN CD type: C charge: 0.7093
     GLN OE1 type: O charge: -0.6098
     GLN NE2 type: N charge: -0.0966
     GLN C type: C charge: 0.7775
     GLN O type: O2 charge: -0.8042
     GLN OXT type: O2 charge: -0.8042
     GLU N type: N charge: -0.2137
     GLU CA type: CT charge: -0.0660
     GLU CB type: CT charge: -0.0085
     GLU CG type: CT charge: -0.0421
     GLU CD type: C charge: 0.8183
     GLU OE1 type: O2 charge: -0.8220
     GLU OE2 type: O2 charge: -0.8220
     GLU C type: C charge: 0.7420
     GLU O type: O2 charge: -0.7930
     GLU OXT type: O2 charge: -0.7930
     GLY N type: N charge: -0.1140
     GLY CA type: CT charge: -0.0381
     GLY C type: C charge: 0.7231
     GLY O type: O2 charge: -0.7855
     GLY OXT type: O2 charge: -0.7855
     HID N type: N charge: -0.1140
     HID CA type: CT charge: -0.0639
     HID CB type: CT charge: 0.0084
     HID CG type: CC charge: 0.0293
     HID ND1 type: NA charge: -0.0137
     HID CD2 type: CV charge: 0.2242
     HID CE1 type: CR charge: 0.3343
     HID NE2 type: NB charge: -0.5629
     HID C type: C charge: 0.7615
     HID O type: O2 charge: -0.8016
     HID OXT type: O2 charge: -0.8016
     HIE N type: N charge: -0.1140
     HIE CA type: CT charge: -0.1049
     HIE CB type: CT charge: 0.0172
     HIE CG type: CC charge: 0.2724
     HIE ND1 type: NB charge: -0.5517
     HIE CD2 type: CW charge: -0.0631
     HIE CE1 type: CR charge: 0.3006
     HIE NE2 type: NA charge: 0.0649
     HIE C type: C charge: 0.7916
     HIE O type: O2 charge: -0.8065
     HIE OXT type: O2 charge: -0.8065
     HIP N type: N charge: -0.0717
     HIP CA type: CT charge: -0.0330
     HIP CB type: CT charge: 0.0936
     HIP CG type: CC charge: 0.0298
     HIP ND1 type: NA charge: 0.2382
     HIP CD2 type: CW charge: 0.1080
     HIP CE1 type: CR charge: 0.2443
     HIP NE2 type: NA charge: 0.2230
     HIP C type: C charge: 0.8032
     HIP O type: O2 charge: -0.8177
     HIP OXT type: O2 charge: -0.8177
     ILE N type: N charge: -0.1140
     ILE CA type: CT charge: -0.1725
     ILE CB type: CT charge: 0.1129
     ILE CD1 type: CT charge: -0.0111
     ILE CG1 type: CT charge: 0.0319
     ILE CG2 type: CT charge: -0.0435
     ILE C type: C charge: 0.8343
     ILE O type: O2 charge: -0.8190
     ILE OXT type: O2 charge: -0.8190
     LEU N type: N charge: -0.1140
     LEU CA type: CT charge: -0.1501
     LEU CB type: CT charge: -0.0521
     LEU CG type: CT charge: 0.3332
     LEU CD1 type: CT charge: -0.1049
     LEU CD2 type: CT charge: -0.1049
     LEU C type: C charge: 0.8326
     LEU O type: O2 charge: -0.8199
     LEU OXT type: O2 charge: -0.8199
     LYS N type: N charge: -0.0717
     LYS CA type: CT charge: -0.1465
     LYS CB type: CT charge: 0.0426
     LYS CG type: CT charge: 0.0495
     LYS CD type: CT charge: 0.0830
     LYS CE type: CT charge: 0.2066
     LYS NZ type: N3 charge: 0.6381
     LYS C type: C charge: 0.8488
     LYS O type: O2 charge: -0.8252
     LYS OXT type: O2 charge: -0.8252
     MET N type: N charge: -0.1140
     MET CA type: CT charge: -0.1320
     MET CB type: CT charge: 0.0724
     MET CG type: CT charge: 0.1126
     MET SD type: S charge: -0.2692
     MET CE type: CT charge: 0.1499
     MET C type: C charge: 0.8013
     MET O type: O2 charge: -0.8105
     MET OXT type: O2 charge: -0.8105
     PHE N type: N charge: -0.1140
     PHE CA type: CT charge: -0.0727
     PHE CB type: CT charge: -0.0073
     PHE CG type: CA charge: 0.0552
     PHE CD1 type: CA charge: 0.0108
     PHE CD2 type: CA charge: 0.0108
     PHE CE1 type: CA charge: -0.0386
     PHE CE2 type: CA charge: -0.0386
     PHE CZ type: CA charge: 0.0336
     PHE C type: C charge: 0.7660
     PHE O type: O2 charge: -0.8026
     PHE OXT type: O2 charge: -0.8026
     PRO N type: N charge: -0.2802
     PRO CA type: CT charge: -0.0560
     PRO CB type: CT charge: 0.0219
     PRO CG type: CT charge: 0.0810
     PRO CD type: CT charge: 0.1096
     PRO C type: C charge: 0.6631
     PRO O type: O2 charge: -0.7697
     PRO OXT type: O2 charge: -0.7697
     SER N type: N charge: -0.1140
     SER CA type: CT charge: -0.1418
     SER CB type: CT charge: 0.2749
     SER OG type: OH charge: -0.2040
     SER C type: C charge: 0.8113
     SER O type: O2 charge: -0.8132
     SER OXT type: O2 charge: -0.8132
     THR N type: N charge: -0.1140
     THR CA type: CT charge: -0.1213
     THR CB type: CT charge: 0.3103
     THR OG1 type: OH charge: -0.2377
     THR CG2 type: CT charge: -0.0095
     THR C type: C charge: 0.7810
     THR O type: O2 charge: -0.8044
     THR OXT type: O2 charge: -0.8044
     TRP N type: N charge: -0.1140
     TRP CA type: CT charge: -0.0812
     TRP CB type: CT charge: 0.0252
     TRP CG type: C* charge: -0.0796
     TRP CD1 type: CW charge: 0.0235
     TRP CD2 type: CB charge: 0.1078
     TRP NE1 type: NA charge: 0.0097
     TRP CE2 type: CN charge: 0.1222
     TRP CE3 type: CA charge: -0.0346
     TRP CZ2 type: CA charge: -0.1027
     TRP CZ3 type: CA charge: -0.0780
     TRP CH2 type: CA charge: 0.0381
     TRP C type: C charge: 0.7658
     TRP O type: O2 charge: -0.8011
     TRP OXT type: O2 charge: -0.8011
     TYR N type: N charge: -0.1140
     TYR CA type: CT charge: -0.0923
     TYR CB type: CT charge: 0.0228
     TYR CG type: CA charge: 0.0243
     TYR CD1 type: CA charge: -0.0142
     TYR CD2 type: CA charge: -0.0142
     TYR CE1 type: CA charge: -0.0785
     TYR CE2 type: CA charge: -0.0785
     TYR CZ type: C charge: 0.3395
     TYR OH type: OH charge: -0.1626
     TYR C type: C charge: 0.7817
     TYR O type: O2 charge: -0.8070
     TYR OXT type: O2 charge: -0.8070
     VAL N type: N charge: -0.1140
     VAL CA type: CT charge: -0.2000
     VAL CB type: CT charge: 0.2248
     VAL CG1 type: CT charge: -0.0556
     VAL CG2 type: CT charge: -0.0556
     VAL C type: C charge: 0.8350
     VAL O type: O2 charge: -0.8173
     VAL OXT type: O2 charge: -0.8173