1 22 Alanine Dipeptide // CHARMM22 C5 Minimum 2 1 CT3 27 3 2 C 20 1 1.48027 4 3 O 74 2 1.22331 1 121.1361 5 4 HA 1 1 1.11169 2 109.2917 3 0.3662 0 6 5 HA 1 1 1.11032 2 110.1546 4 108.8827 1 7 6 HA 1 1 1.11038 2 110.1698 4 108.8854 -1 8 7 NH1 63 2 1.33505 1 116.3706 3 122.4926 1 9 8 CT1 23 7 1.44112 2 122.8457 1 -179.9811 0 10 9 C 20 8 1.51632 7 107.8942 2 -159.0154 0 11 10 O 74 9 1.22957 8 120.7460 7 -13.7942 0 12 11 H 3 7 0.99646 2 121.7232 8 115.4115 1 13 12 HB 4 8 1.08262 7 108.9659 9 107.6880 -1 14 13 CT3 27 8 1.54503 7 111.3502 9 110.1120 1 15 14 HA 1 13 1.11091 8 110.5224 7 58.5707 0 16 15 HA 1 13 1.10940 8 111.5400 14 109.0046 -1 17 16 HA 1 13 1.11182 8 109.4043 14 108.0612 1 18 17 NH1 63 9 1.34759 8 117.6365 10 121.6088 -1 19 18 CT3 61 17 1.44436 9 121.5442 8 -179.4540 0 20 19 H 3 17 0.99460 9 120.4045 18 118.0513 1 21 20 HA 1 18 1.11232 17 110.7036 9 -179.8984 0 22 21 HA 1 18 1.11411 17 110.6487 20 108.3352 1 23 22 HA 1 18 1.11408 17 110.6596 20 108.3483 -1 24