File: parm.diff.save

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#< Protein.ff14SB.parm7
#> Protein.ff99.parm7
< 3   CA Type=  CX
> 3   CA Type=  CT
< 10   CA Type=  CX
> 10   CA Type=  CT
< 20   CA Type=  CX
> 20   CA Type=  CT
< 22   CB Type=  3C
> 22   CB Type=  CT
< 23   HB rGB=  1.2000
> 23   HB rGB=  1.3000
< 36   CA Type=  CX
> 36   CA Type=  CT
< 38   CB Type=  2C
> 38   CB Type=  CT
< 39  HB2 rGB=  1.2000
> 39  HB2 rGB=  1.3000
< 40  HB3 rGB=  1.2000
> 40  HB3 rGB=  1.3000
< 41   CG Type=  3C
> 41   CG Type=  CT
< 42   HG rGB=  1.2000
> 42   HG rGB=  1.3000
< 55   CA Type=  CX
> 55   CA Type=  CT
< 57   CB Type=  3C
> 57   CB Type=  CT
< 58   HB rGB=  1.2000
> 58   HB rGB=  1.3000
< 63  CG1 Type=  2C
> 63  CG1 Type=  CT
< 64 HG12 rGB=  1.2000
> 64 HG12 rGB=  1.3000
< 65 HG13 rGB=  1.2000
> 65 HG13 rGB=  1.3000
< 74   CA Type=  CX
> 74   CA Type=  CT
< 102   CA Type=  CX
> 102   CA Type=  CT
< 108   CA Type=  CX
> 108   CA Type=  CT
< 110   CB Type=  2C
> 110   CB Type=  CT
< 111  HB2 rGB=  1.2000
> 111  HB2 rGB=  1.3000
< 112  HB3 rGB=  1.2000
> 112  HB3 rGB=  1.3000
< 119   CA Type=  CX
> 119   CA Type=  CT
< 121   CB Type=  3C
> 121   CB Type=  CT
< 122   HB rGB=  1.2000
> 122   HB rGB=  1.3000
< 133   CA Type=  CX
> 133   CA Type=  CT
< 154   CA Type=  CX
> 154   CA Type=  CT
< 156   CB Type=  2C
> 156   CB Type=  CT
< 157  HB2 rGB=  1.2000
> 157  HB2 rGB=  1.3000
< 158  HB3 rGB=  1.2000
> 158  HB3 rGB=  1.3000
< 165   CA Type=  CX
> 165   CA Type=  CT
< 167   CB Type=  2C
> 167   CB Type=  CT
< 168  HB2 rGB=  1.2000
> 168  HB2 rGB=  1.3000
< 169  HB3 rGB=  1.2000
> 169  HB3 rGB=  1.3000
< 170   CG Type=  2C
> 170   CG Type=  CT
< 171  HG2 rGB=  1.2000
> 171  HG2 rGB=  1.3000
< 172  HG3 rGB=  1.2000
> 172  HG3 rGB=  1.3000
< 182   CA Type=  CX
> 182   CA Type=  CT
< 184   CB Type=  C8
> 184   CB Type=  CT
< 187   CG Type=  C8
> 187   CG Type=  CT
< 190   CD Type=  C8
> 190   CD Type=  CT
< 193   CE Type=  C8
> 193   CE Type=  CT
< 204   CA Type=  CX
> 204   CA Type=  CT
< 206   CB Type=  C8
> 206   CB Type=  CT
< 209   CG Type=  C8
> 209   CG Type=  CT
< 212   CD Type=  C8
> 212   CD Type=  CT
< 228   CA Type=  CX
> 228   CA Type=  CT
< 245   CA Type=  CX
> 245   CA Type=  CT
< 269   CA Type=  CX
> 269   CA Type=  CT
< 271   CB Type=  2C
> 271   CB Type=  CT
< 272  HB2 rGB=  1.2000
> 272  HB2 rGB=  1.3000
< 273  HB3 rGB=  1.2000
> 273  HB3 rGB=  1.3000
< 274   CG Type=  CO
> 274   CG Type=   C
< 281   CA Type=  CX
> 281   CA Type=  CT
< 283   CB Type=  2C
> 283   CB Type=  CT
< 284  HB2 rGB=  1.2000
> 284  HB2 rGB=  1.3000
< 285  HB3 rGB=  1.2000
> 285  HB3 rGB=  1.3000
< 286   CG Type=  2C
> 286   CG Type=  CT
< 287  HG2 rGB=  1.2000
> 287  HG2 rGB=  1.3000
< 288  HG3 rGB=  1.2000
> 288  HG3 rGB=  1.3000
< 289   CD Type=  CO
> 289   CD Type=   C
< 296   CA Type=  CX
> 296   CA Type=  CT
< 298   CB Type=  2C
> 298   CB Type=  CT
< 299  HB2 rGB=  1.2000
> 299  HB2 rGB=  1.3000
< 300  HB3 rGB=  1.2000
> 300  HB3 rGB=  1.3000
< 310   CA Type=  CX
> 310   CA Type=  CT
< 312   CB Type=  2C
> 312   CB Type=  CT
< 313  HB2 rGB=  1.2000
> 313  HB2 rGB=  1.3000
< 314  HB3 rGB=  1.2000
> 314  HB3 rGB=  1.3000
< 315   CG Type=  2C
> 315   CG Type=  CT
< 316  HG2 rGB=  1.2000
> 316  HG2 rGB=  1.3000
< 317  HG3 rGB=  1.2000
> 317  HG3 rGB=  1.3000
# Atom types
< 2C
< 3C
< C8
< CO
< CX
# LJ params
< 2C Rmin= 1.908  Eps= 0.1094
< 3C Rmin= 1.908  Eps= 0.1094
< C8 Rmin= 1.908  Eps= 0.1094
< CO Rmin= 1.908  Eps= 0.086
< CX Rmin= 1.908  Eps= 0.1094
# Bonds
# Bond Parameters
< Rk= 227  Req= 1.81
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 310  Req= 1.526
< Rk= 317  Req= 1.522
< Rk= 317  Req= 1.522
< Rk= 320  Req= 1.41
< Rk= 337  Req= 1.449
< Rk= 340  Req= 1.09
< Rk= 340  Req= 1.09
< Rk= 340  Req= 1.09
< Rk= 340  Req= 1.09
< Rk= 340  Req= 1.09
< Rk= 340  Req= 1.09
< Rk= 340  Req= 1.09
# Angles
# Angle Parameters
< Tk= 35  Teq= 1.91114
< Tk= 35  Teq= 1.91114
< Tk= 35  Teq= 1.91114
< Tk= 35  Teq= 1.91114
< Tk= 35  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 40  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 1.91114
< Tk= 50  Teq= 2.12756
< Tk= 55  Teq= 1.89368
< Tk= 63  Teq= 1.93906
< Tk= 63  Teq= 1.93906
< Tk= 63  Teq= 1.93906
< Tk= 63  Teq= 1.93906
< Tk= 63  Teq= 1.93906
< Tk= 63  Teq= 1.93906
< Tk= 63  Teq= 1.93906
< Tk= 70  Teq= 2.03505
< Tk= 80  Teq= 1.91463
< Tk= 80  Teq= 1.91463
< Tk= 80  Teq= 1.91463
< Tk= 80  Teq= 1.91463
< Tk= 80  Teq= 2.10138
# Dihedrals
< :1@N - :1@CA - :1@C - :2@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :1@N - :1@CA - :1@C - :2@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :1@N - :1@CA - :1@C - :2@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :1@N - :1@CA - :1@C - :2@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :1@N - :1@CA - :1@C - :2@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :1@N - :1@CA - :1@C - :2@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :1@C - :2@N - :2@CA - :2@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :1@C - :2@N - :2@CA - :2@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :1@C - :2@N - :2@CA - :2@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@CB {C-N-CX-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :1@C - :2@N - :2@CA - :2@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :1@C - :2@N - :2@CA - :2@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :1@C - :2@N - :2@CA - :2@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@CB {C-N-CX-CT} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@CB {C-N-CX-CT} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :1@C - :2@N - :2@CA - :2@CB {C-N-CX-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :2@CB - :2@CA - :2@C - :3@N {CT-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :2@CB - :2@CA - :2@C - :3@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :2@CB - :2@CA - :2@C - :3@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :2@CB - :2@CA - :2@C - :3@N {CT-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :2@CB - :2@CA - :2@C - :3@N {CT-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :2@CB - :2@CA - :2@C - :3@N {CT-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :2@N - :2@CA - :2@C - :3@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :2@N - :2@CA - :2@C - :3@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :2@N - :2@CA - :2@C - :3@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :2@N - :2@CA - :2@C - :3@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :2@N - :2@CA - :2@C - :3@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :2@N - :2@CA - :2@C - :3@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :2@C - :3@N - :3@CA - :3@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :2@C - :3@N - :3@CA - :3@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :2@C - :3@N - :3@CA - :3@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@CB {C-N-CX-3C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :2@C - :3@N - :3@CA - :3@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :2@C - :3@N - :3@CA - :3@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :2@C - :3@N - :3@CA - :3@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@CB {C-N-CX-3C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@CB {C-N-CX-3C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :2@C - :3@N - :3@CA - :3@CB {C-N-CX-3C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :3@CG1 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.112 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :3@CG1 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :3@CG1 - :3@CB - :3@CA - :3@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :3@CG1 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.289 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@CG1 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.406 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@CG2 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.112 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :3@CG2 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :3@CG2 - :3@CB - :3@CA - :3@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :3@CG2 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.289 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@CG2 - :3@CB - :3@CA - :3@C {CT-3C-CX-C} Pk=0.406 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG1 {N-CX-3C-CT} Pk=0.001 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG1 {N-CX-3C-CT} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :3@N - :3@CA - :3@CB - :3@CG1 {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG1 {N-CX-3C-CT} Pk=0.216 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG1 {N-CX-3C-CT} Pk=0.337 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG2 {N-CX-3C-CT} Pk=0.001 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG2 {N-CX-3C-CT} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :3@N - :3@CA - :3@CB - :3@CG2 {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG2 {N-CX-3C-CT} Pk=0.216 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@CB - :3@CG2 {N-CX-3C-CT} Pk=0.337 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :3@CB - :3@CA - :3@C - :4@N {3C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :3@CB - :3@CA - :3@C - :4@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :3@CB - :3@CA - :3@C - :4@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :3@CB - :3@CA - :3@C - :4@N {3C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :3@CB - :3@CA - :3@C - :4@N {3C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :3@CB - :3@CA - :3@C - :4@N {3C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@C - :4@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@C - :4@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@C - :4@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@N - :3@CA - :3@C - :4@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :3@N - :3@CA - :3@C - :4@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :3@N - :3@CA - :3@C - :4@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :3@C - :4@N - :4@CA - :4@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :3@C - :4@N - :4@CA - :4@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :3@C - :4@N - :4@CA - :4@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :3@C - :4@N - :4@CA - :4@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :3@C - :4@N - :4@CA - :4@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :3@C - :4@N - :4@CA - :4@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :3@C - :4@N - :4@CA - :4@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD1 {CX-2C-3C-CT} Pk=0.027 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD1 {CX-2C-3C-CT} Pk=0.142 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD1 {CX-2C-3C-CT} Pk=0.179 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :4@CA - :4@CB - :4@CG - :4@CD1 {CT-CT-CT-CT} Pk=0.18 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :4@CA - :4@CB - :4@CG - :4@CD1 {CT-CT-CT-CT} Pk=0.2 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@CA - :4@CB - :4@CG - :4@CD1 {CT-CT-CT-CT} Pk=0.25 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD1 {CX-2C-3C-CT} Pk=0.379 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD2 {CX-2C-3C-CT} Pk=0.027 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD2 {CX-2C-3C-CT} Pk=0.142 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD2 {CX-2C-3C-CT} Pk=0.179 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :4@CA - :4@CB - :4@CG - :4@CD2 {CT-CT-CT-CT} Pk=0.18 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :4@CA - :4@CB - :4@CG - :4@CD2 {CT-CT-CT-CT} Pk=0.2 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@CA - :4@CB - :4@CG - :4@CD2 {CT-CT-CT-CT} Pk=0.25 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@CA - :4@CB - :4@CG - :4@CD2 {CX-2C-3C-CT} Pk=0.379 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@CG - :4@CB - :4@CA - :4@C {3C-2C-CX-C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :4@CG - :4@CB - :4@CA - :4@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :4@CG - :4@CB - :4@CA - :4@C {3C-2C-CX-C} Pk=0.19 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :4@CG - :4@CB - :4@CA - :4@C {3C-2C-CX-C} Pk=0.62 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@CG - :4@CB - :4@CA - :4@C {3C-2C-CX-C} Pk=0.706 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@CB - :4@CG {N-CX-2C-3C} Pk=0.073 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@CB - :4@CG {N-CX-2C-3C} Pk=0.098 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@CB - :4@CG {N-CX-2C-3C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :4@N - :4@CA - :4@CB - :4@CG {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@CB - :4@CG {N-CX-2C-3C} Pk=0.259 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@CB - :4@CA - :4@C - :5@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :4@CB - :4@CA - :4@C - :5@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :4@CB - :4@CA - :4@C - :5@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :4@CB - :4@CA - :4@C - :5@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@CB - :4@CA - :4@C - :5@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :4@CB - :4@CA - :4@C - :5@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@C - :5@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@C - :5@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@C - :5@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@N - :4@CA - :4@C - :5@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@N - :4@CA - :4@C - :5@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@N - :4@CA - :4@C - :5@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :4@C - :5@N - :5@CA - :5@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :4@C - :5@N - :5@CA - :5@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@C - :5@N - :5@CA - :5@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@CB {C-N-CX-3C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :4@C - :5@N - :5@CA - :5@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@C - :5@N - :5@CA - :5@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :4@C - :5@N - :5@CA - :5@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@CB {C-N-CX-3C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@CB {C-N-CX-3C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :4@C - :5@N - :5@CA - :5@CB {C-N-CX-3C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@CA - :5@CB - :5@CG1 - :5@CD1 {CX-3C-2C-CT} Pk=0.053 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :5@CA - :5@CB - :5@CG1 - :5@CD1 {CX-3C-2C-CT} Pk=0.107 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@CA - :5@CB - :5@CG1 - :5@CD1 {CT-CT-CT-CT} Pk=0.18 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@CA - :5@CB - :5@CG1 - :5@CD1 {CT-CT-CT-CT} Pk=0.2 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CA - :5@CB - :5@CG1 - :5@CD1 {CX-3C-2C-CT} Pk=0.23 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :5@CA - :5@CB - :5@CG1 - :5@CD1 {CT-CT-CT-CT} Pk=0.25 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CA - :5@CB - :5@CG1 - :5@CD1 {CX-3C-2C-CT} Pk=0.447 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@CG1 - :5@CB - :5@CA - :5@C {2C-3C-CX-C} Pk=0.113 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@CG1 - :5@CB - :5@CA - :5@C {2C-3C-CX-C} Pk=0.115 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :5@CG1 - :5@CB - :5@CA - :5@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@CG1 - :5@CB - :5@CA - :5@C {2C-3C-CX-C} Pk=0.162 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@CG1 - :5@CB - :5@CA - :5@C {2C-3C-CX-C} Pk=0.735 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CA - :5@C {CT-3C-CX-C} Pk=0.112 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CA - :5@C {CT-3C-CX-C} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@CG2 - :5@CB - :5@CA - :5@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CA - :5@C {CT-3C-CX-C} Pk=0.289 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CA - :5@C {CT-3C-CX-C} Pk=0.406 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-3C-2C-CT} Pk=0.077 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-3C-2C-CT} Pk=0.107 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-CT-CT-CT} Pk=0.18 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-CT-CT-CT} Pk=0.2 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-3C-2C-CT} Pk=0.202 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-3C-2C-CT} Pk=0.224 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :5@CG2 - :5@CB - :5@CG1 - :5@CD1 {CT-CT-CT-CT} Pk=0.25 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG1 {N-CX-3C-2C} Pk=0.097 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG1 {N-CX-3C-2C} Pk=0.113 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG1 {N-CX-3C-2C} Pk=0.144 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :5@N - :5@CA - :5@CB - :5@CG1 {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG1 {N-CX-3C-2C} Pk=0.31 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG2 {N-CX-3C-CT} Pk=0.001 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG2 {N-CX-3C-CT} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@N - :5@CA - :5@CB - :5@CG2 {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG2 {N-CX-3C-CT} Pk=0.216 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@CB - :5@CG2 {N-CX-3C-CT} Pk=0.337 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@CB - :5@CA - :5@C - :6@N {3C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :5@CB - :5@CA - :5@C - :6@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :5@CB - :5@CA - :5@C - :6@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :5@CB - :5@CA - :5@C - :6@N {3C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@CB - :5@CA - :5@C - :6@N {3C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :5@CB - :5@CA - :5@C - :6@N {3C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@C - :6@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@C - :6@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@C - :6@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@N - :5@CA - :5@C - :6@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :5@N - :5@CA - :5@C - :6@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :5@N - :5@CA - :5@C - :6@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :5@C - :6@N - :6@CA - :6@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :5@C - :6@N - :6@CA - :6@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :5@C - :6@N - :6@CA - :6@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@CB {C-N-CX-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :5@C - :6@N - :6@CA - :6@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :5@C - :6@N - :6@CA - :6@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :5@C - :6@N - :6@CA - :6@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@CB {C-N-CX-CT} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@CB {C-N-CX-CT} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :5@C - :6@N - :6@CA - :6@CB {C-N-CX-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD1 {CX-CT-CA-CA} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :6@CA - :6@CB - :6@CG - :6@CD1 {CT-CT-CA-CA} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD1 {CX-CT-CA-CA} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD1 {CX-CT-CA-CA} Pk=0.048 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD1 {CX-CT-CA-CA} Pk=0.069 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD2 {CX-CT-CA-CA} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :6@CA - :6@CB - :6@CG - :6@CD2 {CT-CT-CA-CA} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD2 {CX-CT-CA-CA} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD2 {CX-CT-CA-CA} Pk=0.048 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@CA - :6@CB - :6@CG - :6@CD2 {CX-CT-CA-CA} Pk=0.069 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@CG - :6@CB - :6@CA - :6@C {CA-CT-CX-C} Pk=0.012 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@CG - :6@CB - :6@CA - :6@C {CA-CT-CX-C} Pk=0.055 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :6@CG - :6@CB - :6@CA - :6@C {CA-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@CG - :6@CB - :6@CA - :6@C {CA-CT-CX-C} Pk=0.192 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@CG - :6@CB - :6@CA - :6@C {CA-CT-CX-C} Pk=0.469 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@CB - :6@CG {N-CX-CT-CA} Pk=0.007 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@CB - :6@CG {N-CX-CT-CA} Pk=0.012 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@N - :6@CA - :6@CB - :6@CG {N-CT-CT-CA} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@CB - :6@CG {N-CX-CT-CA} Pk=0.192 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@CB - :6@CG {N-CX-CT-CA} Pk=0.29 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@CB - :6@CA - :6@C - :7@N {CT-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :6@CB - :6@CA - :6@C - :7@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :6@CB - :6@CA - :6@C - :7@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :6@CB - :6@CA - :6@C - :7@N {CT-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :6@CB - :6@CA - :6@C - :7@N {CT-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@CB - :6@CA - :6@C - :7@N {CT-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@C - :7@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@C - :7@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@C - :7@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@N - :6@CA - :6@C - :7@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@N - :6@CA - :6@C - :7@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@N - :6@CA - :6@C - :7@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CA - :7@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CA - :7@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CA - :7@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@CB {C-N-CX-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CA - :7@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CA - :7@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CA - :7@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@CB {C-N-CX-CT} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@CB {C-N-CX-CT} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CA - :7@CB {C-N-CX-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :6@C - :7@N - :7@CD - :7@CG {C-N-CT-CT} Pk=2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :7@CB - :7@CA - :7@C - :8@N {CT-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :7@CB - :7@CA - :7@C - :8@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :7@CB - :7@CA - :7@C - :8@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :7@CB - :7@CA - :7@C - :8@N {CT-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :7@CB - :7@CA - :7@C - :8@N {CT-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :7@CB - :7@CA - :7@C - :8@N {CT-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :7@N - :7@CA - :7@C - :8@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :7@N - :7@CA - :7@C - :8@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :7@N - :7@CA - :7@C - :8@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :7@N - :7@CA - :7@C - :8@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :7@N - :7@CA - :7@C - :8@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :7@N - :7@CA - :7@C - :8@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :7@C - :8@N - :8@CA - :8@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :7@C - :8@N - :8@CA - :8@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :7@C - :8@N - :8@CA - :8@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :7@C - :8@N - :8@CA - :8@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :7@C - :8@N - :8@CA - :8@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :7@C - :8@N - :8@CA - :8@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :7@C - :8@N - :8@CA - :8@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :8@CA - :8@CB - :8@OG - :8@HG {CX-2C-OH-HO} Pk=0.007 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :8@CA - :8@CB - :8@OG - :8@HG {CT-CT-OH-HO} Pk=0.16 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@CA - :8@CB - :8@OG - :8@HG {CX-2C-OH-HO} Pk=0.211 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :8@CA - :8@CB - :8@OG - :8@HG {CT-CT-OH-HO} Pk=0.25 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :8@CA - :8@CB - :8@OG - :8@HG {CX-2C-OH-HO} Pk=0.267 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@CA - :8@CB - :8@OG - :8@HG {CX-2C-OH-HO} Pk=0.444 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :8@N - :8@CA - :8@CB - :8@OG {N-CT-CT-OH} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@CB - :8@OG {N-CX-2C-OH} Pk=0.16 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@CB - :8@OG {N-CX-2C-OH} Pk=0.246 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@CB - :8@OG {N-CX-2C-OH} Pk=0.401 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@CB - :8@OG {N-CX-2C-OH} Pk=0.666 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :8@OG - :8@CB - :8@CA - :8@C {OH-2C-CX-C} Pk=0.129 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :8@OG - :8@CB - :8@CA - :8@C {OH-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@OG - :8@CB - :8@CA - :8@C {OH-2C-CX-C} Pk=0.218 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :8@OG - :8@CB - :8@CA - :8@C {OH-2C-CX-C} Pk=0.401 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@OG - :8@CB - :8@CA - :8@C {OH-2C-CX-C} Pk=0.661 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :8@CB - :8@CA - :8@C - :9@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :8@CB - :8@CA - :8@C - :9@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :8@CB - :8@CA - :8@C - :9@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :8@CB - :8@CA - :8@C - :9@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :8@CB - :8@CA - :8@C - :9@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :8@CB - :8@CA - :8@C - :9@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@C - :9@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@C - :9@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@C - :9@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :8@N - :8@CA - :8@C - :9@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :8@N - :8@CA - :8@C - :9@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :8@N - :8@CA - :8@C - :9@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :8@C - :9@N - :9@CA - :9@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :8@C - :9@N - :9@CA - :9@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :8@C - :9@N - :9@CA - :9@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@CB {C-N-CX-3C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :8@C - :9@N - :9@CA - :9@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :8@C - :9@N - :9@CA - :9@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :8@C - :9@N - :9@CA - :9@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@CB {C-N-CX-3C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@CB {C-N-CX-3C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :8@C - :9@N - :9@CA - :9@CB {C-N-CX-3C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@CA - :9@CB - :9@OG1 - :9@HG1 {CX-3C-OH-HO} Pk=0.006 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@CA - :9@CB - :9@OG1 - :9@HG1 {CX-3C-OH-HO} Pk=0.013 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :9@CA - :9@CB - :9@OG1 - :9@HG1 {CT-CT-OH-HO} Pk=0.16 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@CA - :9@CB - :9@OG1 - :9@HG1 {CX-3C-OH-HO} Pk=0.236 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :9@CA - :9@CB - :9@OG1 - :9@HG1 {CT-CT-OH-HO} Pk=0.25 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@CA - :9@CB - :9@OG1 - :9@HG1 {CX-3C-OH-HO} Pk=0.251 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@CA - :9@C {CT-3C-CX-C} Pk=0.112 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@CA - :9@C {CT-3C-CX-C} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :9@CG2 - :9@CB - :9@CA - :9@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@CA - :9@C {CT-3C-CX-C} Pk=0.289 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@CA - :9@C {CT-3C-CX-C} Pk=0.406 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@OG1 - :9@HG1 {CT-3C-OH-HO} Pk=0.048 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@OG1 - :9@HG1 {CT-3C-OH-HO} Pk=0.079 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@CG2 - :9@CB - :9@OG1 - :9@HG1 {CT-CT-OH-HO} Pk=0.16 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@OG1 - :9@HG1 {CT-3C-OH-HO} Pk=0.236 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :9@CG2 - :9@CB - :9@OG1 - :9@HG1 {CT-CT-OH-HO} Pk=0.25 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@CG2 - :9@CB - :9@OG1 - :9@HG1 {CT-3C-OH-HO} Pk=0.643 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@CG2 {N-CX-3C-CT} Pk=0.001 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@CG2 {N-CX-3C-CT} Pk=0.148 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :9@N - :9@CA - :9@CB - :9@CG2 {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@CG2 {N-CX-3C-CT} Pk=0.216 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@CG2 {N-CX-3C-CT} Pk=0.337 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@OG1 {N-CX-3C-OH} Pk=0.006 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@OG1 {N-CX-3C-OH} Pk=0.095 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :9@N - :9@CA - :9@CB - :9@OG1 {N-CT-CT-OH} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@OG1 {N-CX-3C-OH} Pk=0.315 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@CB - :9@OG1 {N-CX-3C-OH} Pk=0.674 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@OG1 - :9@CB - :9@CA - :9@C {OH-3C-CX-C} Pk=0.119 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@OG1 - :9@CB - :9@CA - :9@C {OH-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@OG1 - :9@CB - :9@CA - :9@C {OH-3C-CX-C} Pk=0.156 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :9@OG1 - :9@CB - :9@CA - :9@C {OH-3C-CX-C} Pk=0.315 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@OG1 - :9@CB - :9@CA - :9@C {OH-3C-CX-C} Pk=0.697 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@CB - :9@CA - :9@C - :10@N {3C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :9@CB - :9@CA - :9@C - :10@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :9@CB - :9@CA - :9@C - :10@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :9@CB - :9@CA - :9@C - :10@N {3C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@CB - :9@CA - :9@C - :10@N {3C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :9@CB - :9@CA - :9@C - :10@N {3C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@C - :10@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@C - :10@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@C - :10@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@N - :9@CA - :9@C - :10@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@N - :9@CA - :9@C - :10@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@N - :9@CA - :9@C - :10@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :9@C - :10@N - :10@CA - :10@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :9@C - :10@N - :10@CA - :10@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@C - :10@N - :10@CA - :10@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@CB {C-N-CX-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :9@C - :10@N - :10@CA - :10@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@C - :10@N - :10@CA - :10@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :9@C - :10@N - :10@CA - :10@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@CB {C-N-CX-CT} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@CB {C-N-CX-CT} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :9@C - :10@N - :10@CA - :10@CB {C-N-CX-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD1 {CX-CT-CA-CA} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :10@CA - :10@CB - :10@CG - :10@CD1 {CT-CT-CA-CA} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD1 {CX-CT-CA-CA} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD1 {CX-CT-CA-CA} Pk=0.048 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD1 {CX-CT-CA-CA} Pk=0.069 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD2 {CX-CT-CA-CA} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :10@CA - :10@CB - :10@CG - :10@CD2 {CT-CT-CA-CA} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD2 {CX-CT-CA-CA} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD2 {CX-CT-CA-CA} Pk=0.048 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CA - :10@CB - :10@CG - :10@CD2 {CX-CT-CA-CA} Pk=0.069 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CE1 - :10@CZ - :10@OH - :10@HH {CA-C-OH-HO} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :10@CE1 - :10@CZ - :10@OH - :10@HH {CA-C-OH-HO} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@CE1 - :10@CZ - :10@OH - :10@HH {CA-C-OH-HO} Pk=0.065 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :10@CE1 - :10@CZ - :10@OH - :10@HH {CA-C-OH-HO} Pk=0.883 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@CE1 - :10@CZ - :10@OH - :10@HH {CA-C-OH-HO} Pk=2.3 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CG - :10@CB - :10@CA - :10@C {CA-CT-CX-C} Pk=0.012 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CG - :10@CB - :10@CA - :10@C {CA-CT-CX-C} Pk=0.055 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :10@CG - :10@CB - :10@CA - :10@C {CA-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@CG - :10@CB - :10@CA - :10@C {CA-CT-CX-C} Pk=0.192 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@CG - :10@CB - :10@CA - :10@C {CA-CT-CX-C} Pk=0.469 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@HH - :10@OH - :10@CZ - :10@CE2 {HO-OH-C-CA} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :10@HH - :10@OH - :10@CZ - :10@CE2 {HO-OH-C-CA} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@HH - :10@OH - :10@CZ - :10@CE2 {HO-OH-C-CA} Pk=0.065 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :10@HH - :10@OH - :10@CZ - :10@CE2 {HO-OH-C-CA} Pk=0.883 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@HH - :10@OH - :10@CZ - :10@CE2 {HO-OH-C-CA} Pk=2.3 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@CB - :10@CG {N-CX-CT-CA} Pk=0.007 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@CB - :10@CG {N-CX-CT-CA} Pk=0.012 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@N - :10@CA - :10@CB - :10@CG {N-CT-CT-CA} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@CB - :10@CG {N-CX-CT-CA} Pk=0.192 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@CB - :10@CG {N-CX-CT-CA} Pk=0.29 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@CB - :10@CA - :10@C - :11@N {CT-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :10@CB - :10@CA - :10@C - :11@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :10@CB - :10@CA - :10@C - :11@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :10@CB - :10@CA - :10@C - :11@N {CT-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :10@CB - :10@CA - :10@C - :11@N {CT-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :10@CB - :10@CA - :10@C - :11@N {CT-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@C - :11@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@C - :11@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@C - :11@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@N - :10@CA - :10@C - :11@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@N - :10@CA - :10@C - :11@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@N - :10@CA - :10@C - :11@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :10@C - :11@N - :11@CA - :11@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :10@C - :11@N - :11@CA - :11@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@C - :11@N - :11@CA - :11@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :10@C - :11@N - :11@CA - :11@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@C - :11@N - :11@CA - :11@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :10@C - :11@N - :11@CA - :11@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :10@C - :11@N - :11@CA - :11@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :11@CA - :11@CB - :11@SG - :11@HG {CX-2C-SH-HS} Pk=0.03 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :11@CA - :11@CB - :11@SG - :11@HG {CX-2C-SH-HS} Pk=0.092 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :11@CA - :11@CB - :11@SG - :11@HG {CT-CT-SH-HS} Pk=0.25 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@CA - :11@CB - :11@SG - :11@HG {CX-2C-SH-HS} Pk=0.252 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@CA - :11@CB - :11@SG - :11@HG {CX-2C-SH-HS} Pk=0.612 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@CB - :11@SG {N-CX-2C-SH} Pk=0.033 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@CB - :11@SG {N-CX-2C-SH} Pk=0.154 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :11@N - :11@CA - :11@CB - :11@SG {N-CT-CT-SH} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@CB - :11@SG {N-CX-2C-SH} Pk=0.251 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@CB - :11@SG {N-CX-2C-SH} Pk=0.486 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :11@SG - :11@CB - :11@CA - :11@C {SH-2C-CX-C} Pk=0.075 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :11@SG - :11@CB - :11@CA - :11@C {SH-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@SG - :11@CB - :11@CA - :11@C {SH-2C-CX-C} Pk=0.251 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@SG - :11@CB - :11@CA - :11@C {SH-2C-CX-C} Pk=0.269 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :11@SG - :11@CB - :11@CA - :11@C {SH-2C-CX-C} Pk=0.337 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :11@CB - :11@CA - :11@C - :12@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :11@CB - :11@CA - :11@C - :12@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :11@CB - :11@CA - :11@C - :12@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :11@CB - :11@CA - :11@C - :12@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :11@CB - :11@CA - :11@C - :12@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :11@CB - :11@CA - :11@C - :12@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@C - :12@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@C - :12@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@C - :12@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :11@N - :11@CA - :11@C - :12@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :11@N - :11@CA - :11@C - :12@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :11@N - :11@CA - :11@C - :12@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :11@C - :12@N - :12@CA - :12@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :11@C - :12@N - :12@CA - :12@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :11@C - :12@N - :12@CA - :12@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :11@C - :12@N - :12@CA - :12@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :11@C - :12@N - :12@CA - :12@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :11@C - :12@N - :12@CA - :12@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :11@C - :12@N - :12@CA - :12@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :12@CA - :12@CB - :12@CG - :12@SD {CX-2C-2C-S} Pk=0.016 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@CA - :12@CB - :12@CG - :12@SD {CX-2C-2C-S} Pk=0.028 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :12@CA - :12@CB - :12@CG - :12@SD {CT-CT-CT-S} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@CA - :12@CB - :12@CG - :12@SD {CX-2C-2C-S} Pk=0.245 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :12@CA - :12@CB - :12@CG - :12@SD {CX-2C-2C-S} Pk=0.417 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CG - :12@SD - :12@CE {2C-2C-S-CT} Pk=0.057 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CG - :12@SD - :12@CE {2C-2C-S-CT} Pk=0.247 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :12@CB - :12@CG - :12@SD - :12@CE {CT-CT-S-CT} Pk=0.333333 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CG - :12@SD - :12@CE {2C-2C-S-CT} Pk=0.414 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CG - :12@SD - :12@CE {2C-2C-S-CT} Pk=0.442 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :12@CG - :12@CB - :12@CA - :12@C {2C-2C-CX-C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@CG - :12@CB - :12@CA - :12@C {2C-2C-CX-C} Pk=0.145 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :12@CG - :12@CB - :12@CA - :12@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@CG - :12@CB - :12@CA - :12@C {2C-2C-CX-C} Pk=0.393 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@CG - :12@CB - :12@CA - :12@C {2C-2C-CX-C} Pk=0.421 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@CB - :12@CG {N-CX-2C-2C} Pk=0.078 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@CB - :12@CG {N-CX-2C-2C} Pk=0.1 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@CB - :12@CG {N-CX-2C-2C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :12@N - :12@CA - :12@CB - :12@CG {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@CB - :12@CG {N-CX-2C-2C} Pk=0.184 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@CB - :12@CA - :12@C - :13@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :12@CB - :12@CA - :12@C - :13@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :12@CB - :12@CA - :12@C - :13@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CA - :12@C - :13@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CA - :12@C - :13@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :12@CB - :12@CA - :12@C - :13@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@C - :13@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@C - :13@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@C - :13@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@N - :12@CA - :12@C - :13@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :12@N - :12@CA - :12@C - :13@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :12@N - :12@CA - :12@C - :13@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :12@C - :13@N - :13@CA - :13@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :12@C - :13@N - :13@CA - :13@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :12@C - :13@N - :13@CA - :13@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@CB {C-N-CX-C8} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :12@C - :13@N - :13@CA - :13@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :12@C - :13@N - :13@CA - :13@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :12@C - :13@N - :13@CA - :13@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@CB {C-N-CX-C8} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@CB {C-N-CX-C8} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :12@C - :13@N - :13@CA - :13@CB {C-N-CX-C8} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :13@CB - :13@CA - :13@C - :14@N {C8-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :13@CB - :13@CA - :13@C - :14@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :13@CB - :13@CA - :13@C - :14@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :13@CB - :13@CA - :13@C - :14@N {C8-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :13@CB - :13@CA - :13@C - :14@N {C8-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :13@CB - :13@CA - :13@C - :14@N {C8-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :13@N - :13@CA - :13@C - :14@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :13@N - :13@CA - :13@C - :14@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :13@N - :13@CA - :13@C - :14@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :13@N - :13@CA - :13@C - :14@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :13@N - :13@CA - :13@C - :14@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :13@N - :13@CA - :13@C - :14@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :13@C - :14@N - :14@CA - :14@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :13@C - :14@N - :14@CA - :14@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :13@C - :14@N - :14@CA - :14@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@CB {C-N-CX-C8} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :13@C - :14@N - :14@CA - :14@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :13@C - :14@N - :14@CA - :14@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :13@C - :14@N - :14@CA - :14@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@CB {C-N-CX-C8} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@CB {C-N-CX-C8} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :13@C - :14@N - :14@CA - :14@CB {C-N-CX-C8} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :14@CD - :14@NE - :14@CZ - :14@NH1 {C8-N2-CA-N2} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@CD - :14@NE - :14@CZ - :14@NH2 {C8-N2-CA-N2} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@CG - :14@CD - :14@NE - :14@CZ {C8-C8-N2-CA} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :14@CG - :14@CD - :14@NE - :14@CZ {CT-CT-N2-CA} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :14@HE - :14@NE - :14@CZ - :14@NH1 {H-N2-CA-N2} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@HE - :14@NE - :14@CZ - :14@NH2 {H-N2-CA-N2} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@HH11 - :14@NH1 - :14@CZ - :14@NH2 {H-N2-CA-N2} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@HH12 - :14@NH1 - :14@CZ - :14@NH2 {H-N2-CA-N2} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@NE - :14@CZ - :14@NH1 - :14@HH11 {N2-CA-N2-H} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@NE - :14@CZ - :14@NH1 - :14@HH12 {N2-CA-N2-H} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@NE - :14@CZ - :14@NH2 - :14@HH21 {N2-CA-N2-H} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@NE - :14@CZ - :14@NH2 - :14@HH22 {N2-CA-N2-H} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@NH1 - :14@CZ - :14@NH2 - :14@HH21 {N2-CA-N2-H} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@NH1 - :14@CZ - :14@NH2 - :14@HH22 {N2-CA-N2-H} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@CB - :14@CA - :14@C - :15@N {C8-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :14@CB - :14@CA - :14@C - :15@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :14@CB - :14@CA - :14@C - :15@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@CB - :14@CA - :14@C - :15@N {C8-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :14@CB - :14@CA - :14@C - :15@N {C8-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :14@CB - :14@CA - :14@C - :15@N {C8-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :14@N - :14@CA - :14@C - :15@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@N - :14@CA - :14@C - :15@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :14@N - :14@CA - :14@C - :15@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :14@N - :14@CA - :14@C - :15@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :14@N - :14@CA - :14@C - :15@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :14@N - :14@CA - :14@C - :15@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :14@C - :15@N - :15@CA - :15@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :14@C - :15@N - :15@CA - :15@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :14@C - :15@N - :15@CA - :15@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@CB {C-N-CX-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :14@C - :15@N - :15@CA - :15@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :14@C - :15@N - :15@CA - :15@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :14@C - :15@N - :15@CA - :15@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@CB {C-N-CX-CT} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@CB {C-N-CX-CT} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :14@C - :15@N - :15@CA - :15@CB {C-N-CX-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :15@CA - :15@CB - :15@CG - :15@ND1 {CT-CT-CC-NB} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :15@CA - :15@CB - :15@CG - :15@ND1 {CX-CT-CC-NB} Pk=0.047 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@CA - :15@CB - :15@CG - :15@ND1 {CX-CT-CC-NB} Pk=0.204 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :15@CA - :15@CB - :15@CG - :15@ND1 {CX-CT-CC-NB} Pk=0.69 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :15@CA - :15@CB - :15@CG - :15@ND1 {CX-CT-CC-NB} Pk=0.74 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@CG - :15@CB - :15@CA - :15@C {CC-CT-CX-C} Pk=0.025 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :15@CG - :15@CB - :15@CA - :15@C {CC-CT-CX-C} Pk=0.143 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :15@CG - :15@CB - :15@CA - :15@C {CC-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@CG - :15@CB - :15@CA - :15@C {CC-CT-CX-C} Pk=0.219 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@CG - :15@CB - :15@CA - :15@C {CC-CT-CX-C} Pk=0.244 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@CB - :15@CG {N-CX-CT-CC} Pk=0.089 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :15@N - :15@CA - :15@CB - :15@CG {N-CT-CT-CC} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@CB - :15@CG {N-CX-CT-CC} Pk=0.219 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@CB - :15@CG {N-CX-CT-CC} Pk=0.221 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@CB - :15@CG {N-CX-CT-CC} Pk=0.306 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@CB - :15@CA - :15@C - :16@N {CT-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :15@CB - :15@CA - :15@C - :16@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :15@CB - :15@CA - :15@C - :16@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :15@CB - :15@CA - :15@C - :16@N {CT-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :15@CB - :15@CA - :15@C - :16@N {CT-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :15@CB - :15@CA - :15@C - :16@N {CT-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@C - :16@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@C - :16@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@C - :16@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@N - :15@CA - :15@C - :16@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :15@N - :15@CA - :15@C - :16@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :15@N - :15@CA - :15@C - :16@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :15@C - :16@N - :16@CA - :16@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :15@C - :16@N - :16@CA - :16@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :15@C - :16@N - :16@CA - :16@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@CB {C-N-CX-CT} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :15@C - :16@N - :16@CA - :16@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :15@C - :16@N - :16@CA - :16@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :15@C - :16@N - :16@CA - :16@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@CB {C-N-CX-CT} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@CB {C-N-CX-CT} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :15@C - :16@N - :16@CA - :16@CB {C-N-CX-CT} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD1 {CX-CT-C*-CW} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD1 {CX-CT-C*-CW} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD1 {CX-CT-C*-CW} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :16@CA - :16@CB - :16@CG - :16@CD2 {CT-CT-C*-CB} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD2 {CX-CT-C*-CB} Pk=0.095 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD2 {CX-CT-C*-CB} Pk=0.365 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD2 {CX-CT-C*-CB} Pk=0.408 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :16@CA - :16@CB - :16@CG - :16@CD2 {CX-CT-C*-CB} Pk=0.819 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@CG - :16@CB - :16@CA - :16@C {C*-CT-CX-C} Pk=0.017 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@CG - :16@CB - :16@CA - :16@C {C*-CT-CX-C} Pk=0.074 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :16@CG - :16@CB - :16@CA - :16@C {C*-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@CG - :16@CB - :16@CA - :16@C {C*-CT-CX-C} Pk=0.234 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@CG - :16@CB - :16@CA - :16@C {C*-CT-CX-C} Pk=0.353 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@CB - :16@CG {N-CX-CT-C*} Pk=0.031 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@CB - :16@CG {N-CX-CT-C*} Pk=0.079 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :16@N - :16@CA - :16@CB - :16@CG {N-CT-CT-C*} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@CB - :16@CG {N-CX-CT-C*} Pk=0.234 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@CB - :16@CG {N-CX-CT-C*} Pk=0.313 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@CB - :16@CA - :16@C - :17@N {CT-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :16@CB - :16@CA - :16@C - :17@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :16@CB - :16@CA - :16@C - :17@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :16@CB - :16@CA - :16@C - :17@N {CT-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :16@CB - :16@CA - :16@C - :17@N {CT-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :16@CB - :16@CA - :16@C - :17@N {CT-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@C - :17@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@C - :17@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@C - :17@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@N - :16@CA - :16@C - :17@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :16@N - :16@CA - :16@C - :17@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :16@N - :16@CA - :16@C - :17@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :16@C - :17@N - :17@CA - :17@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :16@C - :17@N - :17@CA - :17@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :16@C - :17@N - :17@CA - :17@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :16@C - :17@N - :17@CA - :17@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :16@C - :17@N - :17@CA - :17@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :16@C - :17@N - :17@CA - :17@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :16@C - :17@N - :17@CA - :17@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD1 {CX-2C-CO-O2} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :17@CA - :17@CB - :17@CG - :17@OD1 {CT-CT-C-O2} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD1 {CX-2C-CO-O2} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD1 {CX-2C-CO-O2} Pk=0.031 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD1 {CX-2C-CO-O2} Pk=0.769 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD2 {CX-2C-CO-O2} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :17@CA - :17@CB - :17@CG - :17@OD2 {CT-CT-C-O2} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD2 {CX-2C-CO-O2} Pk=0 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD2 {CX-2C-CO-O2} Pk=0.031 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@CA - :17@CB - :17@CG - :17@OD2 {CX-2C-CO-O2} Pk=0.769 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@CG - :17@CB - :17@CA - :17@C {CO-2C-CX-C} Pk=0.058 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@CG - :17@CB - :17@CA - :17@C {CO-2C-CX-C} Pk=0.154 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :17@CG - :17@CB - :17@CA - :17@C {C-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@CG - :17@CB - :17@CA - :17@C {CO-2C-CX-C} Pk=0.424 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :17@CG - :17@CB - :17@CA - :17@C {CO-2C-CX-C} Pk=0.459 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@CB - :17@CG {N-CX-2C-CO} Pk=0.058 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@CB - :17@CG {N-CX-2C-CO} Pk=0.089 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :17@N - :17@CA - :17@CB - :17@CG {N-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@CB - :17@CG {N-CX-2C-CO} Pk=0.647 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@CB - :17@CG {N-CX-2C-CO} Pk=2.154 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@CB - :17@CA - :17@C - :18@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :17@CB - :17@CA - :17@C - :18@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :17@CB - :17@CA - :17@C - :18@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :17@CB - :17@CA - :17@C - :18@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :17@CB - :17@CA - :17@C - :18@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :17@CB - :17@CA - :17@C - :18@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@C - :18@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@C - :18@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@C - :18@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@N - :17@CA - :17@C - :18@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :17@N - :17@CA - :17@C - :18@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :17@N - :17@CA - :17@C - :18@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :17@C - :18@N - :18@CA - :18@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :17@C - :18@N - :18@CA - :18@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :17@C - :18@N - :18@CA - :18@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :17@C - :18@N - :18@CA - :18@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :17@C - :18@N - :18@CA - :18@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :17@C - :18@N - :18@CA - :18@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :17@C - :18@N - :18@CA - :18@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :18@CA - :18@CB - :18@CG - :18@CD {CX-2C-2C-CO} Pk=0.056 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@CA - :18@CB - :18@CG - :18@CD {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :18@CA - :18@CB - :18@CG - :18@CD {CX-2C-2C-CO} Pk=0.222 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@CA - :18@CB - :18@CG - :18@CD {CX-2C-2C-CO} Pk=0.608 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@CA - :18@CB - :18@CG - :18@CD {CX-2C-2C-CO} Pk=1.367 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@CB - :18@CG - :18@CD - :18@OE1 {CT-CT-C-O2} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CG - :18@CD - :18@OE1 {2C-2C-CO-O2} Pk=0.064 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CG - :18@CD - :18@OE1 {2C-2C-CO-O2} Pk=0.39 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@CB - :18@CG - :18@CD - :18@OE2 {CT-CT-C-O2} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CG - :18@CD - :18@OE2 {2C-2C-CO-O2} Pk=0.064 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CG - :18@CD - :18@OE2 {2C-2C-CO-O2} Pk=0.39 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@CG - :18@CB - :18@CA - :18@C {2C-2C-CX-C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :18@CG - :18@CB - :18@CA - :18@C {2C-2C-CX-C} Pk=0.145 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :18@CG - :18@CB - :18@CA - :18@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :18@CG - :18@CB - :18@CA - :18@C {2C-2C-CX-C} Pk=0.393 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@CG - :18@CB - :18@CA - :18@C {2C-2C-CX-C} Pk=0.421 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@CB - :18@CG {N-CX-2C-2C} Pk=0.078 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@CB - :18@CG {N-CX-2C-2C} Pk=0.1 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@CB - :18@CG {N-CX-2C-2C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :18@N - :18@CA - :18@CB - :18@CG {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@CB - :18@CG {N-CX-2C-2C} Pk=0.184 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@CB - :18@CA - :18@C - :19@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :18@CB - :18@CA - :18@C - :19@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :18@CB - :18@CA - :18@C - :19@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CA - :18@C - :19@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CA - :18@C - :19@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :18@CB - :18@CA - :18@C - :19@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@C - :19@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@C - :19@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@C - :19@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@N - :18@CA - :18@C - :19@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@N - :18@CA - :18@C - :19@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@N - :18@CA - :18@C - :19@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :18@C - :19@N - :19@CA - :19@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :18@C - :19@N - :19@CA - :19@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@C - :19@N - :19@CA - :19@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :18@C - :19@N - :19@CA - :19@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@C - :19@N - :19@CA - :19@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :18@C - :19@N - :19@CA - :19@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :18@C - :19@N - :19@CA - :19@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :19@CA - :19@CB - :19@CG - :19@ND2 {CX-2C-C-N} Pk=0.008 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :19@CA - :19@CB - :19@CG - :19@ND2 {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :19@CA - :19@CB - :19@CG - :19@ND2 {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :19@CA - :19@CB - :19@CG - :19@ND2 {CX-2C-C-N} Pk=0.301 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@CA - :19@CB - :19@CG - :19@ND2 {CX-2C-C-N} Pk=0.485 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@CA - :19@CB - :19@CG - :19@ND2 {CX-2C-C-N} Pk=0.828 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@CA - :19@CB - :19@CG - :19@OD1 {CX-2C-C-O} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :19@CA - :19@CB - :19@CG - :19@OD1 {CT-CT-C-O} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :19@CG - :19@CB - :19@CA - :19@C {C-2C-CX-C} Pk=0.033 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :19@CG - :19@CB - :19@CA - :19@C {C-2C-CX-C} Pk=0.107 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :19@CG - :19@CB - :19@CA - :19@C {C-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :19@CG - :19@CB - :19@CA - :19@C {C-2C-CX-C} Pk=0.303 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@CG - :19@CB - :19@CA - :19@C {C-2C-CX-C} Pk=1.046 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@CB - :19@CG {N-CX-2C-C} Pk=0.033 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@CB - :19@CG {N-CX-2C-C} Pk=0.059 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :19@N - :19@CA - :19@CB - :19@CG {N-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@CB - :19@CG {N-CX-2C-C} Pk=0.297 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@CB - :19@CG {N-CX-2C-C} Pk=0.688 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@CB - :19@CA - :19@C - :20@N {2C-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :19@CB - :19@CA - :19@C - :20@N {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
> :19@CB - :19@CA - :19@C - :20@N {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :19@CB - :19@CA - :19@C - :20@N {2C-CX-C-N} Pk=0.2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :19@CB - :19@CA - :19@C - :20@N {2C-CX-C-N} Pk=0.2 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :19@CB - :19@CA - :19@C - :20@N {2C-CX-C-N} Pk=0.4 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@C - :20@N {N-CX-C-N} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@C - :20@N {N-CX-C-N} Pk=0.45 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@C - :20@N {N-CX-C-N} Pk=0.55 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@N - :19@CA - :19@C - :20@N {N-CX-C-N} Pk=1.58 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :19@N - :19@CA - :19@C - :20@N {N-CT-C-N} Pk=1.7 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
> :19@N - :19@CA - :19@C - :20@N {N-CT-C-N} Pk=2 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@C {C-N-CX-C} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@C {C-N-CX-C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@C {C-N-CX-C} Pk=0.27 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@C {C-N-CX-C} Pk=0.42 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :19@C - :20@N - :20@CA - :20@C {C-N-CT-C} Pk=0.8 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :19@C - :20@N - :20@CA - :20@C {C-N-CT-C} Pk=0.85 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
> :19@C - :20@N - :20@CA - :20@CB {C-N-CT-CT} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@CB {C-N-CX-2C} Pk=0 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :19@C - :20@N - :20@CA - :20@CB {C-N-CT-CT} Pk=0.15 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :19@C - :20@N - :20@CA - :20@CB {C-N-CT-CT} Pk=0.5 Pn=4 Phase=3.14159 SCEE=1.2 SCNB=2
> :19@C - :20@N - :20@CA - :20@CB {C-N-CT-CT} Pk=0.53 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@CB {C-N-CX-2C} Pk=0.8 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@CB {C-N-CX-2C} Pk=1.8 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :19@C - :20@N - :20@CA - :20@CB {C-N-CX-2C} Pk=2 Pn=1 Phase=0 SCEE=1.2 SCNB=2
< :20@CA - :20@CB - :20@CG - :20@CD {CX-2C-2C-C} Pk=0.083 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :20@CA - :20@CB - :20@CG - :20@CD {CX-2C-2C-C} Pk=0.138 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :20@CA - :20@CB - :20@CG - :20@CD {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :20@CA - :20@CB - :20@CG - :20@CD {CX-2C-2C-C} Pk=0.196 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@CA - :20@CB - :20@CG - :20@CD {CX-2C-2C-C} Pk=0.412 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@CB - :20@CG - :20@CD - :20@NE2 {2C-2C-C-N} Pk=0.042 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :20@CB - :20@CG - :20@CD - :20@NE2 {CT-CT-C-N} Pk=0.07 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :20@CB - :20@CG - :20@CD - :20@NE2 {2C-2C-C-N} Pk=0.085 Pn=3 Phase=3.14159 SCEE=1.2 SCNB=2
> :20@CB - :20@CG - :20@CD - :20@NE2 {CT-CT-C-N} Pk=0.1 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :20@CB - :20@CG - :20@CD - :20@NE2 {2C-2C-C-N} Pk=0.609 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@CB - :20@CG - :20@CD - :20@NE2 {2C-2C-C-N} Pk=0.845 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@CB - :20@CG - :20@CD - :20@OE1 {2C-2C-C-O} Pk=0 Pn=1 Phase=0 SCEE=1.2 SCNB=2
> :20@CB - :20@CG - :20@CD - :20@OE1 {CT-CT-C-O} Pk=0 Pn=2 Phase=0 SCEE=1.2 SCNB=2
< :20@CG - :20@CB - :20@CA - :20@C {2C-2C-CX-C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :20@CG - :20@CB - :20@CA - :20@C {2C-2C-CX-C} Pk=0.145 Pn=4 Phase=0 SCEE=1.2 SCNB=2
> :20@CG - :20@CB - :20@CA - :20@C {CT-CT-CT-C} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :20@CG - :20@CB - :20@CA - :20@C {2C-2C-CX-C} Pk=0.393 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@CG - :20@CB - :20@CA - :20@C {2C-2C-CX-C} Pk=0.421 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@N - :20@CA - :20@CB - :20@CG {N-CX-2C-2C} Pk=0.078 Pn=4 Phase=0 SCEE=1.2 SCNB=2
< :20@N - :20@CA - :20@CB - :20@CG {N-CX-2C-2C} Pk=0.1 Pn=1 Phase=3.14159 SCEE=1.2 SCNB=2
< :20@N - :20@CA - :20@CB - :20@CG {N-CX-2C-2C} Pk=0.144 Pn=3 Phase=0 SCEE=1.2 SCNB=2
> :20@N - :20@CA - :20@CB - :20@CG {N-CT-CT-CT} Pk=0.155556 Pn=3 Phase=0 SCEE=1.2 SCNB=2
< :20@N - :20@CA - :20@CB - :20@CG {N-CX-2C-2C} Pk=0.184 Pn=2 Phase=3.14159 SCEE=1.2 SCNB=2
# Dihedral Parameters
< Pk= 0  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.001  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.006  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.006  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.007  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.007  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.008  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.012  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.012  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.013  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.016  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.017  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.025  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.027  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.028  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.03  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.031  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.031  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.033  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.033  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.042  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.047  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.048  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.048  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.053  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.055  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.056  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.057  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.058  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.059  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.064  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.065  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.069  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 0.07  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.073  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.074  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.075  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.077  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.078  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.079  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.079  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.083  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.085  Pn= 3  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.089  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.092  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.095  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.095  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.097  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.098  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.1  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 0.1  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.107  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.107  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.112  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.113  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.115  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.119  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.129  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.138  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.142  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.143  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.144  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.144  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.145  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.148  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
> Pk= 0.15  Pn= 3  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.154  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.154  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.156  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.16  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.162  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.179  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.184  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.19  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.192  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.196  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.2  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.2  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.202  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.204  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.211  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.216  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.218  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.219  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.221  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.222  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.224  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.23  Pn= 4  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.234  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.236  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.244  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.245  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.246  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.247  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.251  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.251  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.252  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.259  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.267  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.269  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.27  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.289  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.29  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.297  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.301  Pn= 3  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.303  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.306  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.31  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.313  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.315  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.337  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.337  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.353  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.365  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.379  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.39  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.393  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.4  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.401  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.406  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.408  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.412  Pn= 3  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.414  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.417  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.42  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.421  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.424  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.442  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.444  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.447  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.45  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.459  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.469  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.485  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.486  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 0.5  Pn= 4  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 0.53  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.55  Pn= 3  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.608  Pn= 3  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.609  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.612  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.62  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.643  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.647  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.661  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.666  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.674  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.688  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.69  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.697  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.706  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.735  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.74  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.769  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.8  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.819  Pn= 3  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 0.828  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.845  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 0.85  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 0.883  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 1.046  Pn= 1  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 1.367  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 1.58  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 1.7  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 1.8  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
< Pk= 2  Pn= 2  Phase= 0  SCEE= 1.2  SCNB= 2
> Pk= 2  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2
< Pk= 2.154  Pn= 1  Phase= 3.14159  SCEE= 1.2  SCNB= 2
> Pk= 2.3  Pn= 2  Phase= 3.14159  SCEE= 1.2  SCNB= 2