PRD_000641
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N6 | H1N6 | sing | 0.97Å | 1.00Å | |
| N6 | H2N6 | sing | 0.97Å | 1.00Å | |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | CCN | sing | 1.47Å | 1.53Å | |
| OAL | CCC | doub | 1.21Å | 1.24Å | |
| OAN | CCK | sing | 1.43Å | 1.44Å | |
| OAN | HOAN | sing | 0.97Å | 0.95Å | |
| OAO | CCL | sing | 1.43Å | 1.42Å | |
| OAO | HOAO | sing | 0.97Å | 0.95Å | |
| OBV | CCM | sing | 1.44Å | 1.47Å | |
| OBV | CCN | sing | 1.44Å | 1.46Å | |
| CCC | CCM | sing | 1.51Å | 1.54Å | |
| CCK | CCL | sing | 1.55Å | 1.52Å | |
| CCK | CCM | sing | 1.54Å | 1.53Å | |
| CCK | HCK | sing | 1.09Å | 1.10Å | |
| CCL | CCN | sing | 1.54Å | 1.54Å | |
| CCL | HCL | sing | 1.09Å | 1.10Å | |
| CCM | HCM | sing | 1.09Å | 1.10Å | |
| CCN | HCN | sing | 1.09Å | 1.10Å | |
| CBZ | OAI | doub | 1.21Å | 1.24Å | |
| CBZ | CBG | sing | 1.51Å | 1.54Å | |
| CBG | CAX | sing | 1.53Å | 1.54Å | |
| CBG | H1BG | sing | 1.09Å | 1.10Å | |
| CBG | H2BG | sing | 1.09Å | 1.10Å | |
| CAX | CAU | sing | 1.53Å | 1.53Å | |
| CAX | H1AX | sing | 1.09Å | 1.10Å | |
| CAX | H2AX | sing | 1.09Å | 1.10Å | |
| CAU | CAW | sing | 1.53Å | 1.53Å | |
| CAU | H1AU | sing | 1.09Å | 1.10Å | |
| CAU | H2AU | sing | 1.09Å | 1.10Å | |
| CAW | CBD | sing | 1.53Å | 1.53Å | |
| CAW | H1AW | sing | 1.09Å | 1.10Å | |
| CAW | H2AW | sing | 1.09Å | 1.10Å | |
| CBD | NBR | sing | 1.46Å | 1.47Å | |
| CBD | H1BD | sing | 1.09Å | 1.10Å | |
| CBD | H2BD | sing | 1.09Å | 1.10Å | |
| NBR | HNBR | sing | 0.97Å | 1.00Å | |
| NBS | CCI | sing | 1.47Å | 1.49Å | |
| NBS | HNBS | sing | 0.97Å | 1.00Å | |
| CCI | CCB | sing | 1.51Å | 1.55Å | |
| CCI | CBJ | sing | 1.53Å | 1.55Å | |
| CCI | HCI | sing | 1.09Å | 1.10Å | |
| CCB | OAK | doub | 1.21Å | 1.22Å | |
| CBJ | CAZ | sing | 1.53Å | 1.53Å | |
| CBJ | H1BJ | sing | 1.09Å | 1.10Å | |
| CBJ | H2BJ | sing | 1.09Å | 1.10Å | |
| CAZ | CAS | sing | 1.53Å | 1.54Å | |
| CAZ | H1AZ | sing | 1.09Å | 1.10Å | |
| CAZ | H2AZ | sing | 1.09Å | 1.10Å | |
| CAS | CAR | sing | 1.53Å | 1.54Å | |
| CAS | H1AS | sing | 1.09Å | 1.10Å | |
| CAS | H2AS | sing | 1.09Å | 1.10Å | |
| CAR | NAC | sing | 1.47Å | 1.47Å | |
| CAR | H1AR | sing | 1.09Å | 1.10Å | |
| CAR | H2AR | sing | 1.09Å | 1.10Å | |
| NAC | H1AC | sing | 1.01Å | 1.00Å | |
| NAC | H2AC | sing | 1.01Å | 1.00Å | |
| CCA | OAJ | doub | 1.21Å | 1.24Å | |
| CCA | CBH | sing | 1.51Å | 1.54Å | |
| CBH | CAY | sing | 1.53Å | 1.54Å | |
| CBH | H1BH | sing | 1.09Å | 1.10Å | |
| CBH | H2BH | sing | 1.09Å | 1.10Å | |
| CAY | CAT | sing | 1.53Å | 1.53Å | |
| CAY | H1AY | sing | 1.09Å | 1.10Å | |
| CAY | H2AY | sing | 1.09Å | 1.10Å | |
| CAT | CAV | sing | 1.53Å | 1.53Å | |
| CAT | H1AT | sing | 1.09Å | 1.10Å | |
| CAT | H2AT | sing | 1.09Å | 1.10Å | |
| CAV | CBC | sing | 1.53Å | 1.53Å | |
| CAV | H1AV | sing | 1.09Å | 1.10Å | |
| CAV | H2AV | sing | 1.09Å | 1.10Å | |
| CBC | NBQ | sing | 1.46Å | 1.48Å | |
| CBC | H1BC | sing | 1.09Å | 1.10Å | |
| CBC | H2BC | sing | 1.09Å | 1.10Å | |
| NBQ | HNBQ | sing | 0.97Å | 1.00Å | |
| NBT | CCJ | sing | 1.47Å | 1.48Å | |
| NBT | HNBT | sing | 0.97Å | 1.00Å | |
| CCJ | CBK | sing | 1.53Å | 1.55Å | |
| CCJ | CCD | sing | 1.51Å | 1.55Å | |
| CCJ | HCJ | sing | 1.09Å | 1.10Å | |
| CBK | CBB | sing | 1.53Å | 1.54Å | |
| CBK | H1BK | sing | 1.09Å | 1.10Å | |
| CBK | H2BK | sing | 1.09Å | 1.10Å | |
| CBB | CBF | sing | 1.53Å | 1.54Å | |
| CBB | H1BB | sing | 1.09Å | 1.10Å | |
| CBB | H2BB | sing | 1.09Å | 1.10Å | |
| CBF | NBP | sing | 1.47Å | 1.48Å | |
| CBF | H1BF | sing | 1.09Å | 1.10Å | |
| CBF | H2BF | sing | 1.09Å | 1.10Å | |
| NBP | CBX | sing | 1.38Å | 1.34Å | |
| NBP | HNBP | sing | 0.97Å | 1.00Å | |
| CBX | NAB | sing | 1.38Å | 1.33Å | |
| CBX | NAE | doub | 1.30Å | 1.33Å | |
| NAB | H1AB | sing | 0.97Å | 1.00Å | |
| NAB | H2AB | sing | 0.97Å | 1.00Å | |
| NAE | H1AE | sing | 0.97Å | 1.00Å | |
| CCD | OAM | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | H1B | sing | 1.09Å | 1.10Å | |
| CB | H2B | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | H1G | sing | 1.09Å | 1.10Å | |
| CG | H2G | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.46Å | 1.46Å | |
| CD | H1D | sing | 1.09Å | 1.10Å | |
| CD | H2D | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.38Å | 1.33Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.37Å | 1.33Å | |
| CZ | NH2 | doub | 1.30Å | 1.33Å | |
| NH1 | H1H1 | sing | 0.97Å | 1.00Å | |
| NH1 | H2H1 | sing | 0.97Å | 1.00Å | |
| NH2 | H1H2 | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| NAF | H1AF | sing | 0.97Å | 1.00Å | |
| NAF | H2AF | sing | 0.97Å | 1.00Å | |
| CCC | NBR | sing | 1.35Å | 1.33Å | |
| CBZ | NBS | sing | 1.35Å | 1.34Å | |
| CCB | NBQ | sing | 1.35Å | 1.33Å | |
| CCA | NBT | sing | 1.35Å | 1.34Å | |
| CCD | N | sing | 1.35Å | 1.33Å | |
| C | NAF | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.1° | 121.2° |
| N1 | C2 | N3 | 121.2° | 122.4° |
| N1 | C2 | H2 | 119.4° | 118.8° |
| N1 | C6 | C5 | 118.8° | 118.5° |
| N1 | C6 | N6 | 121.1° | 120.8° |
| N3 | C2 | H2 | 119.4° | 118.7° |
| C2 | N3 | C4 | 120.5° | 120.6° |
| N3 | C4 | C5 | 119.6° | 119.1° |
| N3 | C4 | N9 | 133.1° | 135.0° |
| C5 | C4 | N9 | 107.3° | 106.0° |
| C4 | C5 | C6 | 118.9° | 118.1° |
| C4 | C5 | N7 | 108.3° | 107.1° |
| C4 | N9 | C8 | 107.2° | 107.5° |
| C4 | N9 | CCN | 126.0° | 126.2° |
| C6 | C5 | N7 | 132.8° | 134.7° |
| C5 | C6 | N6 | 120.1° | 120.7° |
| C5 | N7 | C8 | 106.6° | 109.4° |
| C6 | N6 | H1N6 | 109.5° | 120.0° |
| C6 | N6 | H2N6 | 109.5° | 120.1° |
| H1N6 | N6 | H2N6 | 109.5° | 119.9° |
| N7 | C8 | N9 | 110.5° | 110.0° |
| N7 | C8 | H8 | 124.7° | 125.0° |
| N9 | C8 | H8 | 124.7° | 125.0° |
| C8 | N9 | CCN | 126.7° | 126.3° |
| N9 | CCN | OBV | 111.6° | 110.3° |
| N9 | CCN | CCL | 112.9° | 110.4° |
| N9 | CCN | HCN | 104.3° | 110.3° |
| OAL | CCC | CCM | 119.2° | 120.0° |
| OAL | CCC | NBR | 124.5° | 120.0° |
| CCK | OAN | HOAN | 109.5° | 114.0° |
| OAN | CCK | CCL | 109.8° | 110.5° |
| OAN | CCK | CCM | 109.2° | 110.5° |
| OAN | CCK | HCK | 107.2° | 110.4° |
| CCL | OAO | HOAO | 109.5° | 114.0° |
| OAO | CCL | CCK | 109.7° | 110.5° |
| OAO | CCL | CCN | 110.4° | 110.5° |
| OAO | CCL | HCL | 106.7° | 110.5° |
| CCM | OBV | CCN | 109.1° | 105.2° |
| OBV | CCM | CCC | 111.4° | 110.4° |
| OBV | CCM | CCK | 105.6° | 104.8° |
| OBV | CCM | HCM | 110.7° | 110.3° |
| OBV | CCN | CCL | 105.1° | 104.9° |
| OBV | CCN | HCN | 112.2° | 110.4° |
| CCC | CCM | CCK | 109.4° | 110.4° |
| CCC | CCM | HCM | 107.0° | 110.3° |
| CCM | CCC | NBR | 116.4° | 120.1° |
| CCL | CCK | CCM | 101.4° | 104.1° |
| CCL | CCK | HCK | 114.3° | 110.5° |
| CCK | CCL | CCN | 102.3° | 104.0° |
| CCK | CCL | HCL | 114.2° | 110.5° |
| CCM | CCK | HCK | 114.9° | 110.7° |
| CCK | CCM | HCM | 112.8° | 110.5° |
| CCN | CCL | HCL | 113.6° | 110.7° |
| CCL | CCN | HCN | 110.9° | 110.5° |
| OAI | CBZ | CBG | 120.7° | 120.0° |
| OAI | CBZ | NBS | 124.2° | 120.0° |
| CBZ | CBG | CAX | 111.9° | 109.5° |
| CBZ | CBG | H1BG | 108.7° | 109.5° |
| CBZ | CBG | H2BG | 108.7° | 109.5° |
| CBG | CBZ | NBS | 115.1° | 120.0° |
| CAX | CBG | H1BG | 108.7° | 109.5° |
| CAX | CBG | H2BG | 108.7° | 109.5° |
| CBG | CAX | CAU | 111.3° | 109.5° |
| CBG | CAX | H1AX | 108.9° | 109.5° |
| CBG | CAX | H2AX | 108.9° | 109.5° |
| H1BG | CBG | H2BG | 110.2° | 109.5° |
| CAU | CAX | H1AX | 108.9° | 109.5° |
| CAU | CAX | H2AX | 108.9° | 109.5° |
| CAX | CAU | CAW | 112.9° | 109.5° |
| CAX | CAU | H1AU | 108.4° | 109.5° |
| CAX | CAU | H2AU | 108.3° | 109.5° |
| H1AX | CAX | H2AX | 110.0° | 109.5° |
| CAW | CAU | H1AU | 108.3° | 109.5° |
| CAW | CAU | H2AU | 108.4° | 109.5° |
| CAU | CAW | CBD | 107.5° | 109.5° |
| CAU | CAW | H1AW | 110.1° | 109.5° |
| CAU | CAW | H2AW | 110.2° | 109.5° |
| H1AU | CAU | H2AU | 110.6° | 109.4° |
| CBD | CAW | H1AW | 110.1° | 109.5° |
| CBD | CAW | H2AW | 110.1° | 109.5° |
| CAW | CBD | NBR | 112.7° | 109.5° |
| CAW | CBD | H1BD | 108.4° | 109.5° |
| CAW | CBD | H2BD | 108.4° | 109.5° |
| H1AW | CAW | H2AW | 108.8° | 109.5° |
| NBR | CBD | H1BD | 108.4° | 109.5° |
| NBR | CBD | H2BD | 108.4° | 109.5° |
| CBD | NBR | HNBR | 117.8° | 120.0° |
| CBD | NBR | CCC | 124.4° | 120.0° |
| H1BD | CBD | H2BD | 110.5° | 109.4° |
| HNBR | NBR | CCC | 117.8° | 120.0° |
| CCI | NBS | HNBS | 119.1° | 120.0° |
| NBS | CCI | CCB | 110.6° | 109.5° |
| NBS | CCI | CBJ | 111.8° | 109.5° |
| NBS | CCI | HCI | 108.4° | 109.4° |
| CCI | NBS | CBZ | 121.8° | 120.0° |
| HNBS | NBS | CBZ | 119.1° | 120.0° |
| CCB | CCI | CBJ | 113.1° | 109.5° |
| CCB | CCI | HCI | 106.9° | 109.5° |
| CCI | CCB | OAK | 120.5° | 120.0° |
| CCI | CCB | NBQ | 115.7° | 120.0° |
| CBJ | CCI | HCI | 105.7° | 109.5° |
| CCI | CBJ | CAZ | 115.3° | 109.5° |
| CCI | CBJ | H1BJ | 107.6° | 109.5° |
| CCI | CBJ | H2BJ | 107.6° | 109.5° |
| OAK | CCB | NBQ | 123.7° | 120.0° |
| CAZ | CBJ | H1BJ | 107.6° | 109.5° |
| CAZ | CBJ | H2BJ | 107.6° | 109.5° |
| CBJ | CAZ | CAS | 110.2° | 109.5° |
| CBJ | CAZ | H1AZ | 109.3° | 109.4° |
| CBJ | CAZ | H2AZ | 109.2° | 109.4° |
| H1BJ | CBJ | H2BJ | 111.3° | 109.5° |
| CAS | CAZ | H1AZ | 109.2° | 109.5° |
| CAS | CAZ | H2AZ | 109.2° | 109.4° |
| CAZ | CAS | CAR | 111.2° | 109.5° |
| CAZ | CAS | H1AS | 108.9° | 109.5° |
| CAZ | CAS | H2AS | 108.9° | 109.5° |
| H1AZ | CAZ | H2AZ | 109.7° | 109.5° |
| CAR | CAS | H1AS | 108.9° | 109.4° |
| CAR | CAS | H2AS | 108.9° | 109.5° |
| CAS | CAR | NAC | 110.0° | 109.5° |
| CAS | CAR | H1AR | 109.3° | 109.4° |
| CAS | CAR | H2AR | 109.3° | 109.5° |
| H1AS | CAS | H2AS | 110.0° | 109.5° |
| NAC | CAR | H1AR | 109.3° | 109.5° |
| NAC | CAR | H2AR | 109.3° | 109.5° |
| CAR | NAC | H1AC | 109.5° | 111.0° |
| CAR | NAC | H2AC | 109.4° | 111.0° |
| H1AR | CAR | H2AR | 109.7° | 109.5° |
| H1AC | NAC | H2AC | 109.5° | 111.0° |
| OAJ | CCA | CBH | 120.8° | 120.0° |
| OAJ | CCA | NBT | 124.3° | 120.0° |
| CCA | CBH | CAY | 111.7° | 109.5° |
| CCA | CBH | H1BH | 108.7° | 109.5° |
| CCA | CBH | H2BH | 108.7° | 109.5° |
| CBH | CCA | NBT | 114.9° | 120.0° |
| CAY | CBH | H1BH | 108.7° | 109.5° |
| CAY | CBH | H2BH | 108.7° | 109.5° |
| CBH | CAY | CAT | 111.7° | 109.5° |
| CBH | CAY | H1AY | 108.7° | 109.4° |
| CBH | CAY | H2AY | 108.7° | 109.5° |
| H1BH | CBH | H2BH | 110.2° | 109.4° |
| CAT | CAY | H1AY | 108.7° | 109.5° |
| CAT | CAY | H2AY | 108.7° | 109.5° |
| CAY | CAT | CAV | 111.9° | 109.5° |
| CAY | CAT | H1AT | 108.7° | 109.5° |
| CAY | CAT | H2AT | 108.7° | 109.5° |
| H1AY | CAY | H2AY | 110.2° | 109.5° |
| CAV | CAT | H1AT | 108.7° | 109.5° |
| CAV | CAT | H2AT | 108.7° | 109.5° |
| CAT | CAV | CBC | 110.5° | 109.5° |
| CAT | CAV | H1AV | 109.1° | 109.4° |
| CAT | CAV | H2AV | 109.1° | 109.5° |
| H1AT | CAT | H2AT | 110.2° | 109.4° |
| CBC | CAV | H1AV | 109.1° | 109.5° |
| CBC | CAV | H2AV | 109.1° | 109.5° |
| CAV | CBC | NBQ | 110.6° | 109.5° |
| CAV | CBC | H1BC | 109.1° | 109.4° |
| CAV | CBC | H2BC | 109.1° | 109.5° |
| H1AV | CAV | H2AV | 109.9° | 109.5° |
| NBQ | CBC | H1BC | 109.1° | 109.5° |
| NBQ | CBC | H2BC | 109.1° | 109.5° |
| CBC | NBQ | HNBQ | 118.8° | 120.1° |
| CBC | NBQ | CCB | 122.5° | 120.0° |
| H1BC | CBC | H2BC | 109.8° | 109.5° |
| HNBQ | NBQ | CCB | 118.7° | 119.9° |
| CCJ | NBT | HNBT | 118.4° | 120.0° |
| NBT | CCJ | CBK | 111.4° | 109.4° |
| NBT | CCJ | CCD | 110.5° | 109.5° |
| NBT | CCJ | HCJ | 108.1° | 109.5° |
| CCJ | NBT | CCA | 123.1° | 120.0° |
| HNBT | NBT | CCA | 118.5° | 120.0° |
| CBK | CCJ | CCD | 111.2° | 109.4° |
| CBK | CCJ | HCJ | 107.3° | 109.5° |
| CCJ | CBK | CBB | 114.5° | 109.5° |
| CCJ | CBK | H1BK | 107.9° | 109.5° |
| CCJ | CBK | H2BK | 107.8° | 109.5° |
| CCD | CCJ | HCJ | 108.3° | 109.5° |
| CCJ | CCD | OAM | 121.0° | 120.0° |
| CCJ | CCD | N | 115.4° | 120.0° |
| CBB | CBK | H1BK | 107.8° | 109.5° |
| CBB | CBK | H2BK | 107.8° | 109.5° |
| CBK | CBB | CBF | 112.3° | 109.4° |
| CBK | CBB | H1BB | 108.5° | 109.5° |
| CBK | CBB | H2BB | 108.5° | 109.5° |
| H1BK | CBK | H2BK | 111.1° | 109.4° |
| CBF | CBB | H1BB | 108.5° | 109.5° |
| CBF | CBB | H2BB | 108.6° | 109.5° |
| CBB | CBF | NBP | 108.3° | 109.4° |
| CBB | CBF | H1BF | 109.9° | 109.5° |
| CBB | CBF | H2BF | 109.9° | 109.5° |
| H1BB | CBB | H2BB | 110.4° | 109.5° |
| NBP | CBF | H1BF | 109.9° | 109.4° |
| NBP | CBF | H2BF | 109.9° | 109.4° |
| CBF | NBP | CBX | 124.1° | 120.0° |
| CBF | NBP | HNBP | 118.0° | 120.0° |
| H1BF | CBF | H2BF | 109.1° | 109.5° |
| CBX | NBP | HNBP | 117.9° | 120.0° |
| NBP | CBX | NAB | 122.4° | 120.0° |
| NBP | CBX | NAE | 118.5° | 120.0° |
| NAB | CBX | NAE | 119.2° | 120.0° |
| CBX | NAB | H1AB | 120.0° | 120.0° |
| CBX | NAB | H2AB | 120.0° | 120.0° |
| CBX | NAE | H1AE | 112.0° | 120.0° |
| H1AB | NAB | H2AB | 120.0° | 120.0° |
| OAM | CCD | N | 123.7° | 120.0° |
| CA | N | HN | 118.3° | 120.0° |
| N | CA | CB | 109.7° | 109.5° |
| N | CA | C | 111.5° | 109.5° |
| N | CA | HA | 108.1° | 109.5° |
| CA | N | CCD | 123.4° | 120.0° |
| HN | N | CCD | 118.3° | 120.0° |
| CB | CA | C | 109.9° | 109.5° |
| CB | CA | HA | 109.8° | 109.5° |
| CA | CB | CG | 111.5° | 109.5° |
| CA | CB | H1B | 108.8° | 109.4° |
| CA | CB | H2B | 108.8° | 109.4° |
| C | CA | HA | 107.9° | 109.5° |
| CA | C | O | 121.8° | 120.0° |
| CA | C | NAF | 114.7° | 120.0° |
| CG | CB | H1B | 108.8° | 109.5° |
| CG | CB | H2B | 108.8° | 109.5° |
| CB | CG | CD | 111.3° | 109.5° |
| CB | CG | H1G | 108.9° | 109.5° |
| CB | CG | H2G | 108.8° | 109.5° |
| H1B | CB | H2B | 110.1° | 109.5° |
| CD | CG | H1G | 108.9° | 109.4° |
| CD | CG | H2G | 108.9° | 109.5° |
| CG | CD | NE | 107.5° | 109.5° |
| CG | CD | H1D | 110.1° | 109.4° |
| CG | CD | H2D | 110.1° | 109.5° |
| H1G | CG | H2G | 110.1° | 109.4° |
| NE | CD | H1D | 110.2° | 109.5° |
| NE | CD | H2D | 110.1° | 109.5° |
| CD | NE | CZ | 125.2° | 120.0° |
| CD | NE | HNE | 117.4° | 120.0° |
| H1D | CD | H2D | 108.8° | 109.4° |
| CZ | NE | HNE | 117.4° | 120.0° |
| NE | CZ | NH1 | 123.0° | 119.9° |
| NE | CZ | NH2 | 116.9° | 120.0° |
| NH1 | CZ | NH2 | 120.1° | 120.1° |
| CZ | NH1 | H1H1 | 120.0° | 120.0° |
| CZ | NH1 | H2H1 | 120.0° | 120.0° |
| CZ | NH2 | H1H2 | 112.0° | 120.0° |
| H1H1 | NH1 | H2H1 | 120.0° | 120.0° |
| O | C | NAF | 123.5° | 120.0° |
| H1AF | NAF | H2AF | 120.0° | 120.0° |
| H1AF | NAF | C | 120.0° | 120.0° |
| H2AF | NAF | C | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N6 | 179.9° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | N6 | H1N6 | 0.0° | 0.0° |
| N1 | C6 | N6 | H2N6 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.9° | 0.0° |
| C2 | N3 | C4 | N9 | 179.8° | 179.9° |
| H2 | C2 | N3 | C4 | 179.6° | 180.0° |
| N3 | C4 | C5 | N9 | 179.2° | 179.9° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | CCN | 0.5° | 0.1° |
| C4 | C5 | C6 | N7 | 179.8° | 180.0° |
| C4 | C5 | C6 | N6 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C8 | 0.9° | 0.0° |
| C5 | C4 | N9 | CCN | 179.5° | 180.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | N7 | 1.1° | 0.0° |
| C4 | N9 | C8 | CCN | 179.6° | 180.0° |
| C4 | N9 | C8 | H8 | 178.9° | 179.9° |
| C4 | N9 | CCN | OBV | 112.1° | 156.5° |
| C4 | N9 | CCN | CCL | 129.7° | 88.1° |
| C4 | N9 | CCN | HCN | 9.3° | 34.3° |
| C5 | C6 | N6 | H1N6 | 179.9° | 180.0° |
| C5 | C6 | N6 | H2N6 | 60.1° | 0.0° |
| C6 | C5 | N7 | C8 | 179.5° | 180.0° |
| N7 | C5 | C6 | N6 | 0.4° | 0.0° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H8 | 179.1° | 179.9° |
| C6 | N6 | H1N6 | H2N6 | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | CCN | 179.3° | 180.0° |
| C8 | N9 | CCN | OBV | 67.4° | 23.6° |
| C8 | N9 | CCN | CCL | 50.8° | 91.8° |
| C8 | N9 | CCN | HCN | 171.3° | 145.8° |
| H8 | C8 | N9 | CCN | 0.7° | 0.0° |
| N9 | CCN | CCL | OAO | 89.1° | 98.6° |
| N9 | CCN | OBV | CCM | 133.8° | 159.3° |
| N9 | CCN | OBV | CCL | 122.8° | 118.8° |
| N9 | CCN | OBV | HCN | 116.6° | 122.1° |
| N9 | CCN | CCL | CCK | 154.3° | 142.8° |
| N9 | CCN | CCL | HCN | 116.6° | 122.3° |
| N9 | CCN | CCL | HCL | 30.7° | 24.1° |
| OAL | CCC | CCM | OBV | 25.4° | 3.6° |
| OAL | CCC | CCM | NBR | 180.0° | 180.0° |
| OAL | CCC | CCM | CCK | 90.9° | 111.8° |
| OAL | CCC | CCM | HCM | 146.6° | 125.8° |
| OAL | CCC | NBR | CBD | 3.8° | 0.0° |
| OAL | CCC | NBR | HNBR | 176.2° | 180.0° |
| OAN | CCK | CCL | OAO | 41.9° | 0.0° |
| OAN | CCK | CCM | OBV | 81.5° | 142.6° |
| OAN | CCK | CCM | CCC | 158.5° | 98.5° |
| OAN | CCK | CCL | CCM | 115.4° | 118.6° |
| OAN | CCK | CCL | HCK | 120.4° | 122.5° |
| OAN | CCK | CCM | HCK | 120.4° | 122.6° |
| OAN | CCK | CCL | CCN | 75.3° | 118.6° |
| OAN | CCK | CCL | HCL | 161.6° | 122.6° |
| OAN | CCK | CCM | HCM | 39.5° | 23.8° |
| HOAN | OAN | CCK | CCL | 180.0° | 180.0° |
| HOAN | OAN | CCK | CCM | 69.7° | 65.4° |
| HOAN | OAN | CCK | HCK | 55.3° | 57.4° |
| OAO | CCL | CCN | OBV | 149.0° | 142.6° |
| OAO | CCL | CCK | CCN | 117.2° | 118.6° |
| OAO | CCL | CCK | HCL | 119.7° | 122.6° |
| OAO | CCL | CCK | CCM | 157.3° | 118.6° |
| OAO | CCL | CCK | HCK | 78.5° | 122.5° |
| OAO | CCL | CCN | HCL | 119.8° | 122.7° |
| OAO | CCL | CCN | HCN | 27.5° | 23.7° |
| HOAO | OAO | CCL | CCK | 180.0° | 61.5° |
| HOAO | OAO | CCL | CCN | 68.0° | 176.1° |
| HOAO | OAO | CCL | HCL | 55.8° | 61.1° |
| OBV | CCM | CCC | CCK | 116.4° | 115.4° |
| OBV | CCM | CCC | HCM | 121.2° | 122.2° |
| OBV | CCM | CCK | CCL | 34.3° | 24.0° |
| OBV | CCM | CCK | HCM | 121.0° | 118.8° |
| OBV | CCM | CCK | HCK | 158.1° | 94.8° |
| CCM | OBV | CCN | CCL | 11.0° | 40.5° |
| CCM | OBV | CCN | HCN | 109.6° | 78.5° |
| OBV | CCM | CCC | NBR | 154.6° | 176.4° |
| CCN | OBV | CCM | CCC | 104.1° | 159.3° |
| OBV | CCN | CCL | CCK | 32.3° | 24.0° |
| CCN | OBV | CCM | CCK | 14.6° | 40.5° |
| OBV | CCN | CCL | HCN | 121.5° | 118.9° |
| OBV | CCN | CCL | HCL | 91.3° | 94.7° |
| CCN | OBV | CCM | HCM | 136.9° | 78.5° |
| CCC | CCM | CCK | CCL | 85.7° | 142.8° |
| CCC | CCM | CCK | HCM | 119.0° | 122.3° |
| CCC | CCM | CCK | HCK | 38.1° | 24.1° |
| CCM | CCC | NBR | CBD | 176.1° | 180.0° |
| CCM | CCC | NBR | HNBR | 3.9° | 0.0° |
| CCL | CCK | CCM | HCK | 123.8° | 118.7° |
| CCK | CCL | CCN | HCL | 123.6° | 118.7° |
| CCL | CCK | CCM | HCM | 155.3° | 94.9° |
| CCK | CCL | CCN | HCN | 89.1° | 94.9° |
| CCM | CCK | CCL | CCN | 40.1° | 0.0° |
| CCM | CCK | CCL | HCL | 83.1° | 118.8° |
| CCK | CCM | CCC | NBR | 89.0° | 68.2° |
| HCK | CCK | CCL | CCN | 164.3° | 118.8° |
| HCK | CCK | CCL | HCL | 41.1° | 0.0° |
| HCK | CCK | CCM | HCM | 80.9° | 146.4° |
| HCL | CCL | CCN | HCN | 147.3° | 146.4° |
| HCM | CCM | CCC | NBR | 33.4° | 54.2° |
| OAI | CBZ | CBG | NBS | 177.8° | 179.9° |
| OAI | CBZ | CBG | CAX | 67.3° | 0.1° |
| OAI | CBZ | CBG | H1BG | 52.7° | 120.1° |
| OAI | CBZ | CBG | H2BG | 172.7° | 120.0° |
| OAI | CBZ | NBS | CCI | 2.7° | 0.1° |
| OAI | CBZ | NBS | HNBS | 177.3° | 180.0° |
| CBZ | CBG | CAX | H1BG | 120.0° | 120.0° |
| CBZ | CBG | CAX | H2BG | 120.0° | 120.0° |
| CBZ | CBG | H1BG | H2BG | 119.0° | 120.0° |
| CBZ | CBG | CAX | CAU | 48.2° | 180.0° |
| CBZ | CBG | CAX | H1AX | 71.9° | 60.0° |
| CBZ | CBG | CAX | H2AX | 168.2° | 60.0° |
| CBG | CBZ | NBS | CCI | 179.7° | 180.0° |
| CBG | CBZ | NBS | HNBS | 0.3° | 0.1° |
| CAX | CBG | H1BG | H2BG | 119.0° | 120.0° |
| CBG | CAX | CAU | H1AX | 120.0° | 120.0° |
| CBG | CAX | CAU | H2AX | 120.0° | 120.0° |
| CBG | CAX | H1AX | H2AX | 119.2° | 120.0° |
| CBG | CAX | CAU | CAW | 165.7° | 180.0° |
| CBG | CAX | CAU | H1AU | 45.7° | 60.0° |
| CBG | CAX | CAU | H2AU | 74.3° | 60.0° |
| CAX | CBG | CBZ | NBS | 110.4° | 180.0° |
| H1BG | CBG | CAX | CAU | 168.2° | 60.0° |
| H1BG | CBG | CAX | H1AX | 48.1° | 180.0° |
| H1BG | CBG | CAX | H2AX | 71.8° | 60.0° |
| H1BG | CBG | CBZ | NBS | 129.6° | 60.0° |
| H2BG | CBG | CAX | CAU | 71.8° | 60.0° |
| H2BG | CBG | CAX | H1AX | 168.1° | 60.0° |
| H2BG | CBG | CAX | H2AX | 48.1° | 180.0° |
| H2BG | CBG | CBZ | NBS | 9.6° | 60.0° |
| CAU | CAX | H1AX | H2AX | 119.3° | 120.0° |
| CAX | CAU | CAW | H1AU | 120.0° | 120.0° |
| CAX | CAU | CAW | H2AU | 120.0° | 120.1° |
| CAX | CAU | H1AU | H2AU | 118.6° | 120.0° |
| CAX | CAU | CAW | CBD | 174.6° | 180.0° |
| CAX | CAU | CAW | H1AW | 65.5° | 60.0° |
| CAX | CAU | CAW | H2AW | 54.6° | 60.0° |
| H1AX | CAX | CAU | CAW | 74.3° | 60.0° |
| H1AX | CAX | CAU | H1AU | 165.7° | 180.0° |
| H1AX | CAX | CAU | H2AU | 45.7° | 60.0° |
| H2AX | CAX | CAU | CAW | 45.7° | 60.0° |
| H2AX | CAX | CAU | H1AU | 74.3° | 60.0° |
| H2AX | CAX | CAU | H2AU | 165.7° | 180.0° |
| CAW | CAU | H1AU | H2AU | 118.6° | 120.0° |
| CAU | CAW | CBD | H1AW | 120.0° | 120.0° |
| CAU | CAW | CBD | H2AW | 120.0° | 120.0° |
| CAU | CAW | H1AW | H2AW | 120.8° | 120.0° |
| CAU | CAW | CBD | NBR | 179.5° | 180.0° |
| CAU | CAW | CBD | H1BD | 59.5° | 60.0° |
| CAU | CAW | CBD | H2BD | 60.5° | 59.9° |
| H1AU | CAU | CAW | CBD | 54.5° | 60.0° |
| H1AU | CAU | CAW | H1AW | 174.5° | NaN° |
| H1AU | CAU | CAW | H2AW | 65.4° | 60.0° |
| H2AU | CAU | CAW | CBD | 65.5° | 59.9° |
| H2AU | CAU | CAW | H1AW | 54.5° | 60.0° |
| H2AU | CAU | CAW | H2AW | 174.6° | 180.0° |
| CBD | CAW | H1AW | H2AW | 120.8° | 120.0° |
| CAW | CBD | NBR | H1BD | 120.0° | 120.0° |
| CAW | CBD | NBR | H2BD | 120.0° | 120.1° |
| CAW | CBD | H1BD | H2BD | 118.7° | 120.0° |
| CAW | CBD | NBR | HNBR | 107.8° | 0.0° |
| CAW | CBD | NBR | CCC | 72.2° | 180.0° |
| H1AW | CAW | CBD | NBR | 60.5° | 60.0° |
| H1AW | CAW | CBD | H1BD | 179.5° | NaN° |
| H1AW | CAW | CBD | H2BD | 59.5° | 60.0° |
| H2AW | CAW | CBD | NBR | 59.4° | 60.0° |
| H2AW | CAW | CBD | H1BD | 60.6° | 60.0° |
| H2AW | CAW | CBD | H2BD | 179.4° | 180.0° |
| NBR | CBD | H1BD | H2BD | 118.7° | 120.0° |
| CBD | NBR | HNBR | CCC | 180.0° | 180.0° |
| H1BD | CBD | NBR | HNBR | 132.2° | 120.0° |
| H1BD | CBD | NBR | CCC | 47.8° | 60.0° |
| H2BD | CBD | NBR | HNBR | 12.2° | 120.0° |
| H2BD | CBD | NBR | CCC | 167.8° | 59.9° |
| CCI | NBS | HNBS | CBZ | 180.0° | 179.9° |
| NBS | CCI | CCB | CBJ | 126.2° | 120.0° |
| NBS | CCI | CCB | HCI | 117.8° | 119.9° |
| NBS | CCI | CBJ | HCI | 117.7° | 120.0° |
| NBS | CCI | CCB | OAK | 27.9° | 0.0° |
| NBS | CCI | CBJ | CAZ | 70.6° | 65.0° |
| NBS | CCI | CBJ | H1BJ | 49.4° | 175.0° |
| NBS | CCI | CBJ | H2BJ | 169.4° | 55.0° |
| NBS | CCI | CCB | NBQ | 150.7° | 180.0° |
| HNBS | NBS | CCI | CCB | 110.5° | 25.1° |
| HNBS | NBS | CCI | CBJ | 16.4° | 94.9° |
| HNBS | NBS | CCI | HCI | 132.5° | 145.0° |
| CCB | CCI | CBJ | HCI | 116.6° | 120.0° |
| CCI | CCB | OAK | NBQ | 178.4° | 180.0° |
| CCB | CCI | CBJ | CAZ | 55.0° | 175.0° |
| CCB | CCI | CBJ | H1BJ | 175.0° | 55.0° |
| CCB | CCI | CBJ | H2BJ | 65.0° | 65.0° |
| CCI | CCB | NBQ | CBC | 179.2° | 180.0° |
| CCI | CCB | NBQ | HNBQ | 0.8° | 0.0° |
| CCB | CCI | NBS | CBZ | 69.4° | 155.0° |
| CBJ | CCI | CCB | OAK | 98.4° | 120.0° |
| CCI | CBJ | CAZ | H1BJ | 120.0° | 120.0° |
| CCI | CBJ | CAZ | H2BJ | 120.0° | 120.0° |
| CCI | CBJ | H1BJ | H2BJ | 117.6° | 120.0° |
| CCI | CBJ | CAZ | CAS | 176.8° | 180.0° |
| CCI | CBJ | CAZ | H1AZ | 56.8° | 60.0° |
| CCI | CBJ | CAZ | H2AZ | 63.1° | 60.0° |
| CBJ | CCI | NBS | CBZ | 163.6° | 84.9° |
| CBJ | CCI | CCB | NBQ | 83.1° | 60.0° |
| HCI | CCI | CCB | OAK | 145.7° | 120.0° |
| HCI | CCI | CBJ | CAZ | 171.7° | 55.0° |
| HCI | CCI | CBJ | H1BJ | 68.3° | 65.0° |
| HCI | CCI | CBJ | H2BJ | 51.7° | 175.0° |
| HCI | CCI | NBS | CBZ | 47.5° | 35.1° |
| HCI | CCI | CCB | NBQ | 32.8° | 60.1° |
| OAK | CCB | NBQ | CBC | 0.7° | 0.1° |
| OAK | CCB | NBQ | HNBQ | 179.3° | 180.0° |
| CAZ | CBJ | H1BJ | H2BJ | 117.6° | 120.0° |
| CBJ | CAZ | CAS | H1AZ | 120.0° | 120.0° |
| CBJ | CAZ | CAS | H2AZ | 120.0° | 119.9° |
| CBJ | CAZ | H1AZ | H2AZ | 119.7° | 120.0° |
| CBJ | CAZ | CAS | CAR | 154.2° | 180.0° |
| CBJ | CAZ | CAS | H1AS | 34.2° | 60.0° |
| CBJ | CAZ | CAS | H2AS | 85.8° | 60.0° |
| H1BJ | CBJ | CAZ | CAS | 63.2° | 60.0° |
| H1BJ | CBJ | CAZ | H1AZ | 176.8° | 180.0° |
| H1BJ | CBJ | CAZ | H2AZ | 56.8° | 60.0° |
| H2BJ | CBJ | CAZ | CAS | 56.8° | 60.0° |
| H2BJ | CBJ | CAZ | H1AZ | 63.2° | 60.0° |
| H2BJ | CBJ | CAZ | H2AZ | 176.9° | 179.9° |
| CAS | CAZ | H1AZ | H2AZ | 119.7° | 120.0° |
| CAZ | CAS | CAR | H1AS | 120.0° | 120.0° |
| CAZ | CAS | CAR | H2AS | 120.0° | 120.0° |
| CAZ | CAS | H1AS | H2AS | 119.3° | 120.0° |
| CAZ | CAS | CAR | NAC | 129.4° | 180.0° |
| CAZ | CAS | CAR | H1AR | 9.4° | 60.0° |
| CAZ | CAS | CAR | H2AR | 110.6° | 60.0° |
| H1AZ | CAZ | CAS | CAR | 85.8° | 60.1° |
| H1AZ | CAZ | CAS | H1AS | 154.2° | 180.0° |
| H1AZ | CAZ | CAS | H2AS | 34.3° | 60.0° |
| H2AZ | CAZ | CAS | CAR | 34.2° | 60.0° |
| H2AZ | CAZ | CAS | H1AS | 85.8° | 59.9° |
| H2AZ | CAZ | CAS | H2AS | 154.2° | 180.0° |
| CAR | CAS | H1AS | H2AS | 119.3° | 120.0° |
| CAS | CAR | NAC | H1AR | 120.0° | 120.0° |
| CAS | CAR | NAC | H2AR | 120.0° | 120.0° |
| CAS | CAR | H1AR | H2AR | 119.8° | 120.0° |
| CAS | CAR | NAC | H1AC | 180.0° | 180.0° |
| CAS | CAR | NAC | H2AC | 60.0° | 56.0° |
| H1AS | CAS | CAR | NAC | 110.6° | 60.0° |
| H1AS | CAS | CAR | H1AR | 129.4° | 180.0° |
| H1AS | CAS | CAR | H2AR | 9.4° | 60.0° |
| H2AS | CAS | CAR | NAC | 9.4° | 60.0° |
| H2AS | CAS | CAR | H1AR | 110.6° | 60.0° |
| H2AS | CAS | CAR | H2AR | 129.4° | NaN° |
| NAC | CAR | H1AR | H2AR | 119.8° | 120.0° |
| CAR | NAC | H1AC | H2AC | 120.0° | 124.0° |
| H1AR | CAR | NAC | H1AC | 60.0° | 60.0° |
| H1AR | CAR | NAC | H2AC | 180.0° | 176.0° |
| H2AR | CAR | NAC | H1AC | 60.0° | 60.0° |
| H2AR | CAR | NAC | H2AC | 60.0° | 64.0° |
| OAJ | CCA | CBH | NBT | 179.5° | 180.0° |
| OAJ | CCA | CBH | CAY | 55.9° | 0.0° |
| OAJ | CCA | CBH | H1BH | 175.9° | 120.0° |
| OAJ | CCA | CBH | H2BH | 64.1° | 120.0° |
| OAJ | CCA | NBT | CCJ | 0.7° | 0.0° |
| OAJ | CCA | NBT | HNBT | 179.3° | 180.0° |
| CCA | CBH | CAY | H1BH | 120.0° | 120.1° |
| CCA | CBH | CAY | H2BH | 120.0° | 120.0° |
| CCA | CBH | H1BH | H2BH | 119.1° | 120.0° |
| CCA | CBH | CAY | CAT | 100.6° | 180.0° |
| CCA | CBH | CAY | H1AY | 139.5° | 60.0° |
| CCA | CBH | CAY | H2AY | 19.4° | 60.0° |
| CBH | CCA | NBT | CCJ | 179.8° | 180.0° |
| CBH | CCA | NBT | HNBT | 0.2° | 0.0° |
| CAY | CBH | H1BH | H2BH | 119.1° | 120.0° |
| CBH | CAY | CAT | H1AY | 120.0° | 120.0° |
| CBH | CAY | CAT | H2AY | 120.0° | 120.0° |
| CBH | CAY | H1AY | H2AY | 119.1° | 120.0° |
| CBH | CAY | CAT | CAV | 141.0° | NaN° |
| CBH | CAY | CAT | H1AT | 21.0° | 60.0° |
| CBH | CAY | CAT | H2AT | 99.0° | 60.0° |
| CAY | CBH | CCA | NBT | 124.6° | 180.0° |
| H1BH | CBH | CAY | CAT | 19.5° | 60.0° |
| H1BH | CBH | CAY | H1AY | 100.5° | 179.9° |
| H1BH | CBH | CAY | H2AY | 139.4° | 60.1° |
| H1BH | CBH | CCA | NBT | 4.6° | 59.9° |
| H2BH | CBH | CAY | CAT | 139.5° | 60.0° |
| H2BH | CBH | CAY | H1AY | 19.5° | 60.0° |
| H2BH | CBH | CAY | H2AY | 100.6° | 180.0° |
| H2BH | CBH | CCA | NBT | 115.4° | 60.0° |
| CAT | CAY | H1AY | H2AY | 119.1° | 120.1° |
| CAY | CAT | CAV | H1AT | 120.0° | 120.0° |
| CAY | CAT | CAV | H2AT | 120.0° | 120.0° |
| CAY | CAT | H1AT | H2AT | 119.0° | 120.0° |
| CAY | CAT | CAV | CBC | 149.2° | 180.0° |
| CAY | CAT | CAV | H1AV | 29.2° | 60.0° |
| CAY | CAT | CAV | H2AV | 90.8° | 60.0° |
| H1AY | CAY | CAT | CAV | 99.0° | 60.0° |
| H1AY | CAY | CAT | H1AT | 141.0° | 179.9° |
| H1AY | CAY | CAT | H2AT | 21.0° | 59.9° |
| H2AY | CAY | CAT | CAV | 21.0° | 60.0° |
| H2AY | CAY | CAT | H1AT | 99.0° | 60.0° |
| H2AY | CAY | CAT | H2AT | 141.0° | 180.0° |
| CAV | CAT | H1AT | H2AT | 119.0° | 120.0° |
| CAT | CAV | CBC | H1AV | 120.0° | 120.0° |
| CAT | CAV | CBC | H2AV | 120.0° | 120.0° |
| CAT | CAV | H1AV | H2AV | 119.6° | 120.0° |
| CAT | CAV | CBC | NBQ | 177.6° | 180.0° |
| CAT | CAV | CBC | H1BC | 57.6° | 60.0° |
| CAT | CAV | CBC | H2BC | 62.4° | 60.0° |
| H1AT | CAT | CAV | CBC | 90.8° | 60.0° |
| H1AT | CAT | CAV | H1AV | 149.2° | 179.9° |
| H1AT | CAT | CAV | H2AV | 29.2° | 60.1° |
| H2AT | CAT | CAV | CBC | 29.2° | 60.0° |
| H2AT | CAT | CAV | H1AV | 90.8° | 60.0° |
| H2AT | CAT | CAV | H2AV | 149.2° | 180.0° |
| CBC | CAV | H1AV | H2AV | 119.6° | 120.0° |
| CAV | CBC | NBQ | H1BC | 120.0° | 120.0° |
| CAV | CBC | NBQ | H2BC | 120.0° | 120.0° |
| CAV | CBC | H1BC | H2BC | 119.6° | 120.0° |
| CAV | CBC | NBQ | HNBQ | 72.6° | 0.1° |
| CAV | CBC | NBQ | CCB | 107.4° | 180.0° |
| H1AV | CAV | CBC | NBQ | 62.4° | 60.1° |
| H1AV | CAV | CBC | H1BC | 177.6° | 179.9° |
| H1AV | CAV | CBC | H2BC | 57.6° | 60.0° |
| H2AV | CAV | CBC | NBQ | 57.6° | 60.0° |
| H2AV | CAV | CBC | H1BC | 62.3° | 60.0° |
| H2AV | CAV | CBC | H2BC | 177.7° | 180.0° |
| NBQ | CBC | H1BC | H2BC | 119.6° | 120.1° |
| CBC | NBQ | HNBQ | CCB | 180.0° | 179.9° |
| H1BC | CBC | NBQ | HNBQ | 167.5° | 120.0° |
| H1BC | CBC | NBQ | CCB | 12.6° | 60.1° |
| H2BC | CBC | NBQ | HNBQ | 47.5° | 120.0° |
| H2BC | CBC | NBQ | CCB | 132.6° | 60.0° |
| CCJ | NBT | HNBT | CCA | 180.0° | 180.0° |
| NBT | CCJ | CBK | CCD | 123.7° | 120.0° |
| NBT | CCJ | CBK | HCJ | 118.1° | 120.0° |
| NBT | CCJ | CCD | HCJ | 118.2° | 120.0° |
| NBT | CCJ | CBK | CBB | 26.8° | 65.0° |
| NBT | CCJ | CBK | H1BK | 93.2° | 175.0° |
| NBT | CCJ | CBK | H2BK | 146.8° | 55.0° |
| NBT | CCJ | CCD | OAM | 2.5° | 0.1° |
| NBT | CCJ | CCD | N | 177.7° | 180.0° |
| HNBT | NBT | CCJ | CBK | 12.9° | 95.0° |
| HNBT | NBT | CCJ | CCD | 111.1° | 25.0° |
| HNBT | NBT | CCJ | HCJ | 130.6° | 145.0° |
| CBK | CCJ | CCD | HCJ | 117.7° | 120.0° |
| CCJ | CBK | CBB | H1BK | 120.0° | 120.0° |
| CCJ | CBK | CBB | H2BK | 120.0° | 120.1° |
| CCJ | CBK | H1BK | H2BK | 118.0° | 120.0° |
| CCJ | CBK | CBB | CBF | 77.7° | 180.0° |
| CCJ | CBK | CBB | H1BB | 42.3° | 60.0° |
| CCJ | CBK | CBB | H2BB | 162.3° | 60.0° |
| CBK | CCJ | CCD | OAM | 126.7° | 120.0° |
| CBK | CCJ | NBT | CCA | 167.1° | 85.0° |
| CBK | CCJ | CCD | N | 53.5° | 60.0° |
| CCD | CCJ | CBK | CBB | 96.8° | 175.0° |
| CCD | CCJ | CBK | H1BK | 143.2° | 55.0° |
| CCD | CCJ | CBK | H2BK | 23.1° | 65.0° |
| CCJ | CCD | OAM | N | 179.7° | 179.9° |
| CCJ | CCD | N | CA | 179.8° | 180.0° |
| CCJ | CCD | N | HN | 0.2° | 0.0° |
| CCD | CCJ | NBT | CCA | 68.9° | 155.0° |
| HCJ | CCJ | CBK | CBB | 145.0° | 55.0° |
| HCJ | CCJ | CBK | H1BK | 25.0° | 65.0° |
| HCJ | CCJ | CBK | H2BK | 95.1° | 175.0° |
| HCJ | CCJ | CCD | OAM | 115.6° | 120.0° |
| HCJ | CCJ | NBT | CCA | 49.4° | 35.0° |
| HCJ | CCJ | CCD | N | 64.1° | 60.0° |
| CBB | CBK | H1BK | H2BK | 117.9° | 120.0° |
| CBK | CBB | CBF | H1BB | 120.0° | 120.0° |
| CBK | CBB | CBF | H2BB | 120.0° | 120.0° |
| CBK | CBB | H1BB | H2BB | 118.8° | 120.0° |
| CBK | CBB | CBF | NBP | 109.5° | 180.0° |
| CBK | CBB | CBF | H1BF | 130.5° | 60.0° |
| CBK | CBB | CBF | H2BF | 10.5° | 60.1° |
| H1BK | CBK | CBB | CBF | 162.3° | 60.0° |
| H1BK | CBK | CBB | H1BB | 77.7° | 179.9° |
| H1BK | CBK | CBB | H2BB | 42.3° | 60.0° |
| H2BK | CBK | CBB | CBF | 42.3° | 60.0° |
| H2BK | CBK | CBB | H1BB | 162.3° | 60.0° |
| H2BK | CBK | CBB | H2BB | 77.7° | 179.9° |
| CBF | CBB | H1BB | H2BB | 118.9° | 120.0° |
| CBB | CBF | NBP | H1BF | 120.0° | 120.0° |
| CBB | CBF | NBP | H2BF | 120.0° | 120.0° |
| CBB | CBF | H1BF | H2BF | 120.5° | 120.1° |
| CBB | CBF | NBP | CBX | 169.8° | 180.0° |
| CBB | CBF | NBP | HNBP | 10.1° | 0.0° |
| H1BB | CBB | CBF | NBP | 10.5° | 60.0° |
| H1BB | CBB | CBF | H1BF | 109.5° | 180.0° |
| H1BB | CBB | CBF | H2BF | 130.5° | 59.9° |
| H2BB | CBB | CBF | NBP | 130.5° | 60.0° |
| H2BB | CBB | CBF | H1BF | 10.5° | 60.0° |
| H2BB | CBB | CBF | H2BF | 109.5° | 180.0° |
| NBP | CBF | H1BF | H2BF | 120.5° | 119.9° |
| CBF | NBP | CBX | HNBP | 180.0° | 180.0° |
| CBF | NBP | CBX | NAB | 0.8° | 180.0° |
| CBF | NBP | CBX | NAE | 179.7° | 0.0° |
| H1BF | CBF | NBP | CBX | 70.1° | 60.0° |
| H1BF | CBF | NBP | HNBP | 109.9° | 120.0° |
| H2BF | CBF | NBP | CBX | 49.8° | 60.0° |
| H2BF | CBF | NBP | HNBP | 130.1° | 120.0° |
| NBP | CBX | NAB | NAE | 179.5° | 180.0° |
| NBP | CBX | NAB | H1AB | 179.5° | 0.0° |
| NBP | CBX | NAB | H2AB | 0.5° | 180.0° |
| NBP | CBX | NAE | H1AE | 179.5° | 180.0° |
| HNBP | NBP | CBX | NAB | 179.2° | 0.0° |
| HNBP | NBP | CBX | NAE | 0.3° | 180.0° |
| CBX | NAB | H1AB | H2AB | 180.0° | 180.0° |
| NAB | CBX | NAE | H1AE | 0.0° | 0.0° |
| NAE | CBX | NAB | H1AB | 0.0° | 180.0° |
| NAE | CBX | NAB | H2AB | 180.0° | 0.0° |
| OAM | CCD | N | CA | 0.1° | 0.0° |
| OAM | CCD | N | HN | 179.9° | 180.0° |
| CA | N | HN | CCD | 180.0° | 180.0° |
| N | CA | CB | C | 122.9° | 120.0° |
| N | CA | CB | HA | 118.6° | 120.0° |
| N | CA | C | HA | 118.5° | 120.0° |
| N | CA | CB | CG | 45.2° | 65.0° |
| N | CA | CB | H1B | 74.8° | 175.0° |
| N | CA | CB | H2B | 165.3° | 55.0° |
| N | CA | C | O | 36.6° | 0.0° |
| N | CA | C | NAF | 144.5° | 180.0° |
| HN | N | CA | CB | 12.4° | 25.0° |
| HN | N | CA | C | 109.5° | 95.0° |
| HN | N | CA | HA | 132.1° | 145.0° |
| CB | CA | C | HA | 119.6° | 120.0° |
| CA | CB | CG | H1B | 120.0° | 120.0° |
| CA | CB | CG | H2B | 120.0° | 120.0° |
| CA | CB | H1B | H2B | 119.2° | 120.0° |
| CA | CB | CG | CD | 140.1° | 180.0° |
| CA | CB | CG | H1G | 99.9° | 60.0° |
| CA | CB | CG | H2G | 20.1° | 60.0° |
| CB | CA | C | O | 85.2° | 120.0° |
| CB | CA | N | CCD | 167.6° | 155.0° |
| CB | CA | C | NAF | 93.7° | 60.0° |
| C | CA | CB | CG | 77.6° | 175.0° |
| C | CA | CB | H1B | 162.4° | 55.0° |
| C | CA | CB | H2B | 42.4° | 65.0° |
| CA | C | O | NAF | 178.8° | 180.0° |
| CA | C | NAF | H1AF | 178.9° | 0.0° |
| CA | C | NAF | H2AF | 1.1° | 180.0° |
| C | CA | N | CCD | 70.5° | 85.0° |
| HA | CA | CB | CG | 163.9° | 55.0° |
| HA | CA | CB | H1B | 43.9° | 65.0° |
| HA | CA | CB | H2B | 76.1° | 175.0° |
| HA | CA | C | O | 155.1° | 120.0° |
| HA | CA | N | CCD | 48.0° | 35.0° |
| HA | CA | C | NAF | 25.9° | 60.0° |
| CG | CB | H1B | H2B | 119.2° | 120.0° |
| CB | CG | CD | H1G | 120.0° | 120.0° |
| CB | CG | CD | H2G | 120.0° | 120.0° |
| CB | CG | H1G | H2G | 119.2° | 120.0° |
| CB | CG | CD | NE | 90.6° | 180.0° |
| CB | CG | CD | H1D | 149.4° | 60.0° |
| CB | CG | CD | H2D | 29.4° | 60.0° |
| H1B | CB | CG | CD | 20.1° | 60.1° |
| H1B | CB | CG | H1G | 140.1° | 180.0° |
| H1B | CB | CG | H2G | 99.9° | 60.0° |
| H2B | CB | CG | CD | 99.9° | 60.0° |
| H2B | CB | CG | H1G | 20.1° | 60.0° |
| H2B | CB | CG | H2G | 140.1° | 180.0° |
| CD | CG | H1G | H2G | 119.3° | 120.0° |
| CG | CD | NE | H1D | 120.0° | 120.0° |
| CG | CD | NE | H2D | 120.0° | 120.0° |
| CG | CD | H1D | H2D | 120.8° | 120.0° |
| CG | CD | NE | CZ | 102.4° | 180.0° |
| CG | CD | NE | HNE | 77.6° | 0.0° |
| H1G | CG | CD | NE | 29.4° | 60.0° |
| H1G | CG | CD | H1D | 90.6° | 180.0° |
| H1G | CG | CD | H2D | 149.4° | 60.1° |
| H2G | CG | CD | NE | 149.4° | 60.0° |
| H2G | CG | CD | H1D | 29.5° | 60.1° |
| H2G | CG | CD | H2D | 90.6° | 180.0° |
| NE | CD | H1D | H2D | 120.8° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 2.1° | 180.0° |
| CD | NE | CZ | NH2 | 179.0° | 0.0° |
| H1D | CD | NE | CZ | 17.6° | 60.0° |
| H1D | CD | NE | HNE | 162.4° | 120.0° |
| H2D | CD | NE | CZ | 137.6° | 60.0° |
| H2D | CD | NE | HNE | 42.4° | 120.0° |
| NE | CZ | NH1 | NH2 | 178.9° | 179.9° |
| NE | CZ | NH1 | H1H1 | 178.9° | 0.1° |
| NE | CZ | NH1 | H2H1 | 1.1° | 180.0° |
| NE | CZ | NH2 | H1H2 | 179.0° | 180.0° |
| HNE | NE | CZ | NH1 | 177.9° | 0.0° |
| HNE | NE | CZ | NH2 | 1.0° | 180.0° |
| CZ | NH1 | H1H1 | H2H1 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | H1H2 | 0.0° | 0.1° |
| NH2 | CZ | NH1 | H1H1 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | H2H1 | 180.0° | 0.0° |
| O | C | NAF | H1AF | 0.0° | 180.0° |
| O | C | NAF | H2AF | 180.0° | 0.0° |
| H1AF | NAF | H2AF | C | 180.0° | 180.0° |
