#< 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