#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwm n PRO 2 N 0.00 0.30 -2.53 0.03 -0.04 -1.26 -4.92 135.00 126.58 2dwm n PRO 2 Ca 0.00 0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 2dwm n PRO 2 Cb 0.00 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 2dwm n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2dwm s VAL 3 N -1.83 4.22 -0.42 0.52 -7.23 -1.26 -5.00 120.40 109.40 2dwm s VAL 3 Ca -0.10 1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 61.24 2dwm s VAL 3 Cb 0.01 -4.40 0.03 0.00 0.56 0.00 0.00 36.38 32.58 2dwm s VAL 3 CO 0.15 -0.72 0.33 0.00 -0.31 0.00 0.00 175.10 174.55 2dwm s ALA 4 N 4.39 3.48 -0.27 1.32 0.00 -1.26 -5.03 121.76 124.39 2dwm s ALA 4 Ca 0.51 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2dwm s ALA 4 Cb -0.11 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2dwm s ALA 4 CO 0.26 -1.52 1.03 -1.01 0.00 0.00 0.00 175.76 174.52 2dwm s HIS 5 N 1.73 3.25 0.14 0.00 3.76 -1.26 -5.02 115.29 117.89 2dwm s HIS 5 Ca 0.06 1.31 0.07 0.00 -0.15 0.00 0.00 55.06 56.35 2dwm s HIS 5 Cb -0.20 -3.43 -0.04 0.00 1.11 0.00 0.00 32.58 30.02 2dwm s HIS 5 CO 0.10 -0.60 -0.17 0.08 -0.85 0.00 0.00 174.74 173.30 2dwm s VAL 6 N 3.36 1.61 -0.02 -0.90 1.01 -1.26 -5.13 120.40 119.07 2dwm s VAL 6 Ca 0.44 -1.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 2dwm s VAL 6 Cb -0.14 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2dwm s VAL 6 CO 0.10 -0.31 0.29 0.00 0.00 0.00 0.00 175.10 175.18 2dwm s ALA 7 N -1.93 3.80 0.01 5.51 0.00 -1.26 -5.11 121.76 122.78 2dwm s ALA 7 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2dwm s ALA 7 Cb -0.06 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 2dwm s ALA 7 CO 0.05 0.58 -0.03 -0.51 0.00 0.00 0.00 175.76 175.85 2dwm s LEU 8 N -1.39 2.11 -1.02 0.00 1.43 -1.26 -5.05 118.68 113.50 2dwm s LEU 8 Ca 0.24 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 2dwm s LEU 8 Cb -0.14 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.98 2dwm s LEU 8 CO 0.12 -0.11 1.96 -2.84 0.23 0.00 0.00 176.35 175.71 2dwm s PRO 9 N -0.68 2.47 0.72 1.29 0.02 -1.26 -4.91 135.00 132.64 2dwm s PRO 9 Ca -0.06 -0.62 -0.12 0.00 0.02 0.00 0.00 61.00 60.21 2dwm s PRO 9 Cb -0.05 -5.13 0.03 0.00 0.02 0.00 0.00 34.50 29.37 2dwm s PRO 9 CO -0.00 -3.71 1.09 0.54 -0.33 0.00 0.00 177.00 174.59 2dwm s VAL 10 N 10.78 3.46 0.87 3.83 0.11 -1.26 -5.03 120.40 133.16 2dwm s VAL 10 Ca 0.70 0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 60.18 2dwm s VAL 10 Cb -0.04 -3.08 0.12 0.00 -1.53 0.00 0.00 36.38 31.84 2dwm s VAL 10 CO 0.06 -0.56 1.15 -2.65 -3.33 0.00 0.00 175.10 169.77 2dwm n PRO 11 N -3.07 -0.18 0.00 1.54 -0.02 -1.26 -4.96 135.00 127.06 2dwm n PRO 11 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2dwm n PRO 11 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2dwm n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2dwm n LEU 12 N -3.73 0.00 -4.46 2.45 0.00 -1.26 -3.83 117.00 106.17 2dwm n LEU 12 Ca 0.13 0.89 -0.44 0.00 0.00 0.00 0.00 56.01 56.59 2dwm n LEU 12 Cb 0.51 -0.39 -0.02 0.00 0.00 0.00 0.00 43.42 43.52 2dwm n LEU 12 CO 0.49 -0.39 1.12 -2.84 0.00 0.00 0.00 177.39 175.77 2dwm s PRO 13 N -2.55 3.71 -0.45 1.96 0.02 -1.26 -4.83 135.00 131.59 2dwm s PRO 13 Ca 0.00 -1.90 -0.28 0.00 0.02 0.00 0.00 61.00 58.84 2dwm s PRO 13 Cb 0.00 -4.99 0.01 0.00 0.02 0.00 0.00 34.50 29.54 2dwm s PRO 13 CO 0.00 -1.81 1.47 0.50 -0.33 0.00 0.00 177.00 176.83 2dwm s ARG 14 N 2.63 3.44 0.34 5.54 3.52 -1.25 -4.96 118.95 128.22 2dwm s ARG 14 Ca 0.36 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.88 2dwm s ARG 14 Cb -0.04 -4.08 -0.07 0.00 -1.56 0.00 0.00 34.95 29.20 2dwm s ARG 14 CO -0.07 -1.74 -0.03 0.95 -0.81 0.00 0.00 175.30 173.60 2dwm s THR 15 N 5.89 1.83 -0.17 4.11 -4.23 -1.26 -4.87 115.64 116.93 2dwm s THR 15 Ca 0.61 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2dwm s THR 15 Cb -0.14 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 2dwm s THR 15 CO 0.30 -0.13 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.85 2dwm s PHE 16 N -2.87 3.00 0.18 3.99 0.40 -1.26 -5.10 117.98 116.32 2dwm s PHE 16 Ca 0.33 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.91 2dwm s PHE 16 Cb 0.06 -2.00 -0.08 0.00 0.51 0.00 0.00 43.02 41.51 2dwm s PHE 16 CO 0.16 -0.19 0.86 -0.51 0.70 0.00 0.00 175.22 176.24 2dwm s ASP 17 N 0.71 7.50 -0.02 1.36 1.01 -1.26 -5.07 116.67 120.89 2dwm s ASP 17 Ca -0.02 1.77 -0.05 0.00 0.71 0.00 0.00 52.55 54.97 2dwm s ASP 17 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2dwm s ASP 17 CO 0.02 0.15 0.11 -0.31 0.21 0.00 0.00 175.17 175.35 2dwm s TYR 18 N -0.97 -0.03 0.22 4.23 1.51 -1.26 -4.69 117.35 116.36 2dwm s TYR 18 Ca 0.39 0.07 -0.24 0.00 -1.01 0.00 0.00 57.07 56.29 2dwm s TYR 18 Cb -0.24 -0.01 -0.08 0.00 -0.11 0.00 0.00 41.96 41.51 2dwm s TYR 18 CO 0.29 -0.15 0.80 -1.17 -1.11 0.00 0.00 175.55 174.20 2dwm s LEU 19 N -0.58 4.45 -0.24 -1.29 2.96 -0.64 -4.79 118.68 118.55 2dwm s LEU 19 Ca -0.07 1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 55.28 2dwm s LEU 19 Cb -0.04 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2dwm s LEU 19 CO 0.00 0.09 0.47 -0.76 -1.32 0.00 0.00 176.35 174.83 2dwm s LEU 20 N -1.64 4.08 1.18 -0.68 1.43 -1.26 -0.27 118.68 121.53 2dwm s LEU 20 Ca 0.41 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 2dwm s LEU 20 Cb -0.20 -2.60 0.22 0.00 0.03 0.00 0.00 46.19 43.64 2dwm s LEU 20 CO 0.24 -0.21 0.52 -2.65 0.23 0.00 0.00 176.35 174.48 2dwm n PRO 21 N 5.19 -2.40 -2.02 1.29 -0.02 -1.26 -4.86 135.00 130.92 2dwm n PRO 21 Ca -0.06 -0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 60.32 2dwm n PRO 21 Cb 0.50 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2dwm n PRO 21 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2dwm s GLU 22 N -3.98 4.24 0.00 -0.52 2.12 -1.26 -2.75 118.70 116.55 2dwm s GLU 22 Ca 0.61 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.19 2dwm s GLU 22 Cb -0.18 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2dwm s GLU 22 CO 0.64 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2dwm n GLY 23 N 3.76 1.79 3.71 -1.50 0.00 -1.26 -5.02 105.19 106.67 2dwm n GLY 23 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2dwm n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dwm s MET 24 N -0.23 4.33 -0.10 1.61 1.75 -1.11 -5.06 119.30 120.49 2dwm s MET 24 Ca 0.00 0.51 0.03 0.00 -1.25 0.00 0.00 55.69 54.98 2dwm s MET 24 Cb 0.00 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.22 2dwm s MET 24 CO 0.00 0.08 -0.18 -0.08 -0.65 0.00 0.00 175.02 174.19 2dwm s THR 25 N 0.84 1.65 0.03 10.11 -1.32 -1.26 -4.73 115.64 120.96 2dwm s THR 25 Ca 0.27 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2dwm s THR 25 Cb -0.16 -1.47 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 2dwm s THR 25 CO 0.11 0.47 -0.04 0.68 -2.21 0.00 0.00 174.62 173.64 2dwm s VAL 26 N 0.63 0.20 0.31 5.08 -7.23 -1.26 -5.05 120.40 113.08 2dwm s VAL 26 Ca -0.14 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.94 2dwm s VAL 26 Cb -0.16 -0.60 -0.06 0.00 0.56 0.00 0.00 36.38 36.12 2dwm s VAL 26 CO 0.04 -0.60 0.01 -1.59 -0.31 0.00 0.00 175.10 172.65 2dwm s LYS 27 N -2.04 1.62 0.20 4.82 -2.85 -1.26 -4.97 119.74 115.26 2dwm s LYS 27 Ca -0.10 -1.87 -0.32 0.00 -1.00 0.00 0.00 55.97 52.69 2dwm s LYS 27 Cb -0.06 -1.02 -0.15 0.00 -2.06 0.00 0.00 37.83 34.54 2dwm s LYS 27 CO -0.03 -0.09 1.27 0.00 0.10 0.00 0.00 175.35 176.60 2dwm n ALA 28 N -0.65 0.06 -0.38 0.59 0.00 -1.26 -2.43 120.51 116.43 2dwm n ALA 28 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2dwm n ALA 28 Cb 0.65 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2dwm n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dwm n GLY 29 N 2.06 0.74 3.89 0.00 0.00 -0.39 -4.64 105.19 106.86 2dwm n GLY 29 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2dwm n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwm s ARG 31 N -2.13 4.05 0.02 0.00 0.52 -1.26 -0.80 118.95 119.37 2dwm s ARG 31 Ca 0.33 0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 56.12 2dwm s ARG 31 Cb -0.13 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 2dwm s ARG 31 CO 0.20 0.42 0.02 0.14 0.02 0.00 0.00 175.30 176.11 2dwm s VAL 32 N -1.54 0.12 -0.09 3.52 -7.23 0.29 -1.88 120.40 113.60 2dwm s VAL 32 Ca 0.41 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 2dwm s VAL 32 Cb -0.15 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 2dwm s VAL 32 CO 0.20 -0.55 0.26 -0.60 -0.31 0.00 0.00 175.10 174.09 2dwm s ARG 33 N -1.94 3.78 0.08 4.82 3.52 -0.10 -0.39 118.95 128.71 2dwm s ARG 33 Ca -0.11 0.10 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 2dwm s ARG 33 Cb -0.06 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 2dwm s ARG 33 CO -0.02 0.64 0.12 0.14 -0.81 0.00 0.00 175.30 175.37 2dwm s VAL 34 N -0.74 0.17 0.86 7.11 -7.23 -0.59 -1.71 120.40 118.28 2dwm s VAL 34 Ca 0.18 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.86 2dwm s VAL 34 Cb -0.14 -1.40 0.11 0.00 0.56 0.00 0.00 36.38 35.52 2dwm s VAL 34 CO 0.07 -0.76 1.12 -2.84 -0.31 0.00 0.00 175.10 172.39 2dwm s PRO 35 N -3.88 1.53 0.00 4.82 0.02 -1.26 -2.90 135.00 133.32 2dwm s PRO 35 Ca 0.06 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.51 2dwm s PRO 35 Cb 0.06 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.71 2dwm s PRO 35 CO -0.11 -1.96 0.00 0.34 -0.33 0.00 0.00 177.00 174.94 2dwm n PHE 36 N -3.63 0.00 0.00 6.54 7.35 -1.07 -4.89 117.46 121.76 2dwm n PHE 36 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2dwm n PHE 36 Cb 0.58 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.41 2dwm n PHE 36 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2dwm n GLY 37 N 0.00 0.00 0.10 7.13 0.00 -1.26 -4.55 105.19 106.61 2dwm n GLY 37 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2dwm n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dwm h LYS 38 N 0.00 0.00 0.00 1.61 3.64 -2.05 -3.42 116.57 116.34 2dwm h LYS 38 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dwm h LYS 38 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dwm h LYS 38 CO 0.00 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.46 2dwm n GLN 39 N -2.90 0.00 0.00 1.90 0.00 -1.26 -5.12 117.38 110.00 2dwm n GLN 39 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.92 2dwm n GLN 39 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 30.24 30.98 2dwm n GLN 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2dwm n GLN 40 N -0.40 0.00 -2.45 2.61 1.13 -1.26 -4.87 117.38 112.14 2dwm n GLN 40 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 2dwm n GLN 40 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 2dwm n GLN 40 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2dwm s GLU 41 N -0.41 3.74 -0.20 -1.09 0.41 -1.26 -2.60 118.70 117.29 2dwm s GLU 41 Ca 0.00 0.62 -0.30 0.00 -0.41 0.00 0.00 54.97 54.88 2dwm s GLU 41 Cb 0.00 -2.24 0.15 0.00 -1.78 0.00 0.00 34.13 30.25 2dwm s GLU 41 CO 0.00 -0.26 1.10 1.03 -0.49 0.00 0.00 175.26 176.64 2dwm s ARG 42 N -4.40 0.44 0.07 1.61 0.52 -1.14 -4.98 118.95 111.08 2dwm s ARG 42 Ca 0.54 0.12 -0.22 0.00 -0.52 0.00 0.00 55.73 55.65 2dwm s ARG 42 Cb -0.10 0.21 -0.06 0.00 0.52 0.00 0.00 34.95 35.51 2dwm s ARG 42 CO 0.39 -0.13 0.65 0.42 0.02 0.00 0.00 175.30 176.65 2dwm s ILE 43 N -1.03 4.69 0.29 1.52 1.01 -1.26 -1.54 121.20 124.89 2dwm s ILE 43 Ca 0.01 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.10 2dwm s ILE 43 Cb -0.01 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2dwm s ILE 43 CO -0.01 0.49 0.17 -0.83 0.00 0.00 0.00 174.94 174.75 2dwm s GLY 44 N -0.73 2.01 -0.10 6.18 0.00 0.47 -4.97 107.32 110.18 2dwm s GLY 44 Ca 0.32 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.26 2dwm s GLY 44 CO 0.21 -1.54 -0.12 -0.42 0.00 0.00 0.00 173.10 171.23 2dwm s ILE 45 N -3.66 1.28 0.04 0.90 1.01 -1.26 -0.55 121.20 118.96 2dwm s ILE 45 Ca 0.37 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2dwm s ILE 45 Cb 0.05 -1.20 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 2dwm s ILE 45 CO 0.18 0.40 1.27 -0.69 0.00 0.00 0.00 174.94 176.11 2dwm s VAL 46 N 1.19 3.87 -0.12 2.92 1.01 0.02 -4.92 120.40 124.37 2dwm s VAL 46 Ca -0.04 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.26 2dwm s VAL 46 Cb -0.14 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2dwm s VAL 46 CO -0.03 0.06 0.36 0.52 0.00 0.00 0.00 175.10 176.01 2dwm n VAL 47 N 4.19 1.69 -3.54 2.92 0.31 -1.26 -1.26 118.33 121.37 2dwm n VAL 47 Ca 0.11 -0.70 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 2dwm n VAL 47 Cb 0.45 -1.45 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 2dwm n VAL 47 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dwm s SER 48 N -6.65 -0.41 -0.23 4.52 1.04 -1.26 -4.76 113.70 105.94 2dwm s SER 48 Ca -0.18 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 2dwm s SER 48 Cb 0.07 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.78 2dwm s SER 48 CO 0.77 -0.88 0.02 -0.69 0.98 0.00 0.00 173.24 173.43 2dwm s VAL 49 N -3.48 1.00 0.52 5.02 1.01 -1.26 -4.97 120.40 118.25 2dwm s VAL 49 Ca 0.05 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2dwm s VAL 49 Cb -0.02 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2dwm s VAL 49 CO -0.07 -0.27 0.40 -0.94 0.00 0.00 0.00 175.10 174.21 2dwm s SER 50 N 1.62 4.67 -0.21 3.32 1.04 -1.26 -5.02 113.70 117.86 2dwm s SER 50 Ca -0.00 -1.17 0.14 0.00 0.48 0.00 0.00 55.95 55.39 2dwm s SER 50 Cb -0.18 0.26 0.45 0.00 0.10 0.00 0.00 66.02 66.65 2dwm s SER 50 CO -0.11 -1.03 1.35 0.47 0.98 0.00 0.00 173.24 174.90 2dwm n ASP 51 N -1.72 2.73 -3.72 7.02 8.00 -1.26 -4.96 116.55 122.64 2dwm n ASP 51 Ca -0.01 -3.44 -0.12 0.00 0.71 0.00 0.00 54.79 51.94 2dwm n ASP 51 Cb 0.64 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 2dwm n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dwm s ALA 52 N -3.05 -0.96 0.09 2.24 0.00 -1.26 -5.16 121.76 113.66 2dwm s ALA 52 Ca 0.40 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.71 2dwm s ALA 52 Cb 0.36 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2dwm s ALA 52 CO 0.02 -0.22 -0.19 0.45 0.00 0.00 0.00 175.76 175.82 2dwm s SER 53 N 0.86 2.29 0.00 0.00 0.15 -1.26 -5.02 113.70 110.72 2dwm s SER 53 Ca -0.05 -0.67 0.12 0.00 0.70 0.00 0.00 55.95 56.05 2dwm s SER 53 Cb -0.06 -0.11 0.61 0.00 -1.71 0.00 0.00 66.02 64.74 2dwm s SER 53 CO -0.07 0.02 1.32 1.21 1.20 0.00 0.00 173.24 176.92 2dwm n GLU 54 N 1.14 0.15 -4.42 5.44 0.00 -1.26 -4.74 120.64 116.96 2dwm n GLU 54 Ca -0.20 0.19 -0.21 0.00 0.00 0.00 0.00 57.16 56.94 2dwm n GLU 54 Cb 0.54 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.37 2dwm n GLU 54 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2dwm s LEU 55 N -2.63 2.45 0.26 4.31 2.96 -1.26 -5.11 118.68 119.66 2dwm s LEU 55 Ca 0.11 -1.20 -0.31 0.00 -0.22 0.00 0.00 54.13 52.51 2dwm s LEU 55 Cb 0.08 -0.60 -0.13 0.00 0.50 0.00 0.00 46.19 46.04 2dwm s LEU 55 CO 0.19 -0.36 1.46 -2.65 -1.32 0.00 0.00 176.35 173.67 2dwm n PRO 56 N -0.57 2.25 0.33 0.98 -0.02 -1.26 -4.83 135.00 131.88 2dwm n PRO 56 Ca -0.05 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 2dwm n PRO 56 Cb 0.63 -2.49 0.68 0.00 -0.02 0.00 0.00 33.50 32.31 2dwm n PRO 56 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2dwm h LEU 57 N 4.32 0.00 0.09 2.45 4.07 -1.99 -2.46 115.31 121.79 2dwm h LEU 57 Ca -0.46 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.14 2dwm h LEU 57 Cb 1.26 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.97 2dwm h LEU 57 CO 0.76 0.00 -2.05 -3.20 -1.08 0.00 0.00 178.44 172.87 2dwm n ASN 58 N -2.83 1.91 -1.95 -0.43 4.05 -1.26 -4.34 115.26 110.41 2dwm n ASN 58 Ca -0.02 0.17 -0.20 0.00 0.45 0.00 0.00 54.58 54.99 2dwm n ASN 58 Cb 0.49 -0.66 0.07 0.00 1.23 0.00 0.00 39.78 40.91 2dwm n ASN 58 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2dwm n GLU 59 N -3.38 1.98 -3.84 1.20 2.13 -0.93 -4.82 120.64 112.98 2dwm n GLU 59 Ca -0.32 -2.02 -0.36 0.00 0.66 0.00 0.00 57.16 55.12 2dwm n GLU 59 Cb 1.04 -1.79 -0.12 0.00 0.27 0.00 0.00 31.44 30.84 2dwm n GLU 59 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2dwm s LEU 60 N -2.31 3.55 0.98 4.31 2.34 -1.25 -4.97 118.68 121.33 2dwm s LEU 60 Ca 0.39 -0.13 -0.11 0.00 0.06 0.00 0.00 54.13 54.35 2dwm s LEU 60 Cb 0.32 -1.94 0.18 0.00 -0.56 0.00 0.00 46.19 44.19 2dwm s LEU 60 CO 0.02 0.02 1.10 -0.54 -1.06 0.00 0.00 176.35 175.89 2dwm s LYS 61 N 1.28 0.55 0.08 1.48 3.01 -1.26 -4.57 119.74 120.30 2dwm s LYS 61 Ca 0.05 1.21 0.06 0.00 -1.01 0.00 0.00 55.97 56.28 2dwm s LYS 61 Cb -0.15 -1.70 -0.04 0.00 -1.01 0.00 0.00 37.83 34.94 2dwm s LYS 61 CO 0.04 -2.85 -0.08 0.00 0.51 0.00 0.00 175.35 172.97 2dwm s ALA 62 N -2.65 3.00 0.53 5.17 0.00 -1.26 -1.63 121.76 124.92 2dwm s ALA 62 Ca 0.66 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2dwm s ALA 62 Cb -0.22 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 2dwm s ALA 62 CO 0.60 0.64 1.10 0.28 0.00 0.00 0.00 175.76 178.37 2dwm n VAL 63 N 0.93 3.30 -0.03 0.00 0.31 0.63 -4.47 118.33 118.99 2dwm n VAL 63 Ca -0.14 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.67 2dwm n VAL 63 Cb 0.52 -1.31 -0.01 0.00 -0.91 0.00 0.00 33.84 32.13 2dwm n VAL 63 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2dwm n VAL 64 N -1.12 0.65 -3.88 2.52 0.31 -0.69 -4.70 118.33 111.42 2dwm n VAL 64 Ca 0.11 0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 64.71 2dwm n VAL 64 Cb 0.44 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 2dwm n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2dwm s GLU 65 N -1.60 0.70 -0.36 5.55 2.12 -1.22 -5.00 118.70 118.90 2dwm s GLU 65 Ca -0.07 -0.77 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 2dwm s GLU 65 Cb 0.01 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.71 2dwm s GLU 65 CO 0.11 -0.20 0.19 0.54 -0.54 0.00 0.00 175.26 175.36 2dwm s VAL 66 N -2.97 4.53 -0.54 3.70 0.11 -1.26 -0.92 120.40 123.05 2dwm s VAL 66 Ca -0.02 -0.82 0.26 0.00 -2.93 0.00 0.00 61.98 58.46 2dwm s VAL 66 Cb 0.01 -3.51 0.28 0.00 -1.53 0.00 0.00 36.38 31.64 2dwm s VAL 66 CO -0.06 -0.20 1.76 -0.07 -3.33 0.00 0.00 175.10 173.20 2dwm h LEU 67 N 8.41 0.00 -8.18 2.54 4.07 -1.74 -3.45 115.31 116.98 2dwm h LEU 67 Ca -0.26 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.26 2dwm h LEU 67 Cb 1.11 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.57 2dwm h LEU 67 CO 0.66 0.00 -0.79 -1.81 -1.08 0.00 0.00 178.44 175.41 2dwm s ASP 68 N -4.64 1.44 0.00 -0.43 1.01 -1.24 -4.95 116.67 107.85 2dwm s ASP 68 Ca 0.07 -0.28 0.16 0.00 0.71 0.00 0.00 52.55 53.21 2dwm s ASP 68 Cb 0.10 -0.14 -0.18 0.00 1.01 0.00 0.00 42.92 43.71 2dwm s ASP 68 CO 0.52 0.11 0.69 -1.54 0.21 0.00 0.00 175.17 175.15 2dwm n SER 69 N 2.55 0.75 -4.17 0.27 3.41 -1.26 -4.80 113.62 110.35 2dwm n SER 69 Ca -0.15 0.34 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 2dwm n SER 69 Cb 0.56 0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 64.63 2dwm n SER 69 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2dwm s GLU 70 N -2.81 0.91 -0.03 4.33 2.56 -1.26 -4.93 118.70 117.47 2dwm s GLU 70 Ca -0.04 -0.90 -0.34 0.00 0.00 0.00 0.00 54.97 53.69 2dwm s GLU 70 Cb 0.08 -0.94 -0.12 0.00 2.00 0.00 0.00 34.13 35.15 2dwm s GLU 70 CO 0.82 0.22 1.83 -2.30 -0.56 0.00 0.00 175.26 175.27 2dwm n PRO 71 N 1.51 2.24 0.22 4.30 -0.02 -1.26 -4.84 135.00 137.15 2dwm n PRO 71 Ca -0.20 0.82 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 2dwm n PRO 71 Cb 0.54 -2.66 0.75 0.00 -0.02 0.00 0.00 33.50 32.11 2dwm n PRO 71 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2dwm h VAL 72 N 5.09 0.00 -2.94 -1.45 3.04 -1.87 -3.42 116.25 114.71 2dwm h VAL 72 Ca -0.48 -0.15 -0.63 0.00 -1.01 0.00 0.00 66.70 64.43 2dwm h VAL 72 Cb 1.26 0.92 -0.06 0.00 -2.01 0.00 0.00 31.29 31.41 2dwm h VAL 72 CO 0.94 0.00 -0.52 -0.36 -1.01 0.00 0.00 177.57 176.61 2dwm s PHE 73 N -3.67 3.45 0.34 3.17 0.40 -1.26 -5.04 117.98 115.37 2dwm s PHE 73 Ca -0.01 0.26 -0.26 0.00 -0.60 0.00 0.00 56.93 56.32 2dwm s PHE 73 Cb 0.09 -1.76 -0.10 0.00 0.51 0.00 0.00 43.02 41.76 2dwm s PHE 73 CO 0.36 0.60 0.99 0.99 0.70 0.00 0.00 175.22 178.86 2dwm s THR 74 N -1.38 3.98 0.32 0.64 2.01 -1.26 -4.84 115.64 115.11 2dwm s THR 74 Ca 0.29 1.65 0.10 0.00 0.31 0.00 0.00 61.69 64.05 2dwm s THR 74 Cb -0.13 -3.92 0.32 0.00 0.01 0.00 0.00 72.50 68.78 2dwm s THR 74 CO 0.22 0.14 1.68 0.45 -0.69 0.00 0.00 174.62 176.42 2dwm h HIS 75 N 3.09 0.83 0.54 4.92 3.86 -1.99 0.19 115.15 126.59 2dwm h HIS 75 Ca -0.47 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 58.75 2dwm h HIS 75 Cb 1.20 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 29.47 2dwm h HIS 75 CO 0.60 -0.12 -0.26 1.03 0.86 0.00 0.00 177.93 180.05 2dwm h SER 76 N 0.37 -0.61 -0.82 2.45 0.87 -2.00 -2.45 113.55 111.36 2dwm h SER 76 Ca 0.67 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 61.41 2dwm h SER 76 Cb 1.42 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 63.39 2dwm h SER 76 CO -0.58 -0.20 -0.09 0.58 -0.53 0.00 0.00 176.83 176.01 2dwm h VAL 77 N -1.17 0.22 0.13 2.23 2.07 -1.62 0.83 116.25 118.94 2dwm h VAL 77 Ca -0.07 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2dwm h VAL 77 Cb 0.57 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2dwm h VAL 77 CO 0.12 0.01 -0.14 -0.25 0.02 0.00 0.00 177.57 177.33 2dwm h TRP 78 N 0.04 -0.36 -0.64 1.57 2.91 -0.71 0.21 115.95 118.96 2dwm h TRP 78 Ca 0.43 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.58 2dwm h TRP 78 Cb 0.75 0.14 -0.09 0.00 -0.51 0.00 0.00 29.16 29.45 2dwm h TRP 78 CO -0.54 -0.21 0.15 -0.09 -1.03 0.00 0.00 178.44 176.71 2dwm h ARG 79 N -0.30 0.26 0.50 2.65 2.43 -0.41 -1.00 114.38 118.51 2dwm h ARG 79 Ca 0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2dwm h ARG 79 Cb 0.29 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2dwm h ARG 79 CO -0.04 0.17 -0.24 1.25 -1.51 0.00 0.00 179.97 179.60 2dwm h LEU 80 N 0.27 -0.57 -0.52 3.80 7.12 -0.50 -2.25 115.31 122.66 2dwm h LEU 80 Ca 0.34 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.42 2dwm h LEU 80 Cb 0.53 0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.75 2dwm h LEU 80 CO -0.43 -0.40 0.25 -0.07 -0.13 0.00 0.00 178.44 177.66 2dwm h LEU 81 N -0.69 0.33 -1.29 2.25 3.38 0.02 0.22 115.31 119.53 2dwm h LEU 81 Ca -0.07 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dwm h LEU 81 Cb 0.52 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2dwm h LEU 81 CO 0.11 0.22 0.41 -0.07 0.09 0.00 0.00 178.44 179.21 2dwm h LEU 82 N 0.47 0.78 0.68 1.67 3.38 -1.19 0.12 115.31 121.22 2dwm h LEU 82 Ca 0.24 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2dwm h LEU 82 Cb 0.18 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dwm h LEU 82 CO -0.19 0.59 -0.32 -0.25 0.09 0.00 0.00 178.44 178.36 2dwm h TRP 83 N 0.91 -0.84 -0.71 1.13 7.01 -0.54 -1.84 115.95 121.07 2dwm h TRP 83 Ca 0.24 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.34 2dwm h TRP 83 Cb -0.06 0.28 -0.13 0.00 -2.10 0.00 0.00 29.16 27.15 2dwm h TRP 83 CO 0.00 -0.52 -0.33 0.00 -2.79 0.00 0.00 178.44 174.80 2dwm h ALA 84 N -1.44 0.08 -0.39 2.65 0.00 -0.32 0.47 119.26 120.32 2dwm h ALA 84 Ca -0.09 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2dwm h ALA 84 Cb 0.70 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 2dwm h ALA 84 CO 0.15 -0.63 -0.30 0.00 0.00 0.00 0.00 179.25 178.47 2dwm h ALA 85 N 1.19 -0.13 -0.09 0.00 0.00 -0.96 -1.39 119.26 117.89 2dwm h ALA 85 Ca 0.28 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2dwm h ALA 85 Cb 0.56 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dwm h ALA 85 CO -0.77 -0.70 -0.02 0.22 0.00 0.00 0.00 179.25 177.98 2dwm h ASP 86 N -0.24 0.17 -0.92 0.00 1.82 0.51 0.14 116.42 117.91 2dwm h ASP 86 Ca 0.18 -0.37 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2dwm h ASP 86 Cb 0.52 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 2dwm h ASP 86 CO -0.52 0.51 0.53 0.22 -1.61 0.00 0.00 179.24 178.36 2dwm h TYR 87 N -0.16 1.24 -0.31 0.28 3.20 -0.13 -3.12 116.97 117.97 2dwm h TYR 87 Ca 0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2dwm h TYR 87 Cb 0.43 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2dwm h TYR 87 CO 0.05 0.84 0.00 0.66 -1.64 0.00 0.00 178.16 178.07 2dwm n TYR 88 N -4.34 0.39 -2.71 -3.82 4.02 -0.54 -5.01 117.16 105.15 2dwm n TYR 88 Ca 0.10 -0.21 -0.10 0.00 -0.01 0.00 0.00 57.90 57.68 2dwm n TYR 88 Cb 0.08 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.45 2dwm n TYR 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2dwm n HIS 89 N 1.37 -1.60 -5.07 -0.72 8.25 -0.88 -5.04 115.22 111.53 2dwm n HIS 89 Ca 0.17 0.58 -0.28 0.00 -0.26 0.00 0.00 57.72 57.93 2dwm n HIS 89 Cb 0.58 -3.67 -0.16 0.00 1.12 0.00 0.00 29.99 27.86 2dwm n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dwm s HIS 90 N -3.25 1.96 0.22 4.41 3.76 -0.02 -5.05 115.29 117.32 2dwm s HIS 90 Ca 0.25 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 2dwm s HIS 90 Cb -0.03 -1.27 -0.12 0.00 1.11 0.00 0.00 32.58 32.27 2dwm s HIS 90 CO 0.49 -0.05 1.68 -2.14 -0.85 0.00 0.00 174.74 173.86 2dwm s PRO 91 N -0.45 4.13 0.26 8.40 0.02 -1.26 -4.55 135.00 141.54 2dwm s PRO 91 Ca 0.07 2.58 -0.03 0.00 0.02 0.00 0.00 61.00 63.64 2dwm s PRO 91 Cb -0.09 -3.07 0.53 0.00 0.02 0.00 0.00 34.50 31.89 2dwm s PRO 91 CO -0.00 -0.71 1.70 0.82 -0.33 0.00 0.00 177.00 178.48 2dwm h ILE 92 N 3.74 0.54 -0.17 2.83 1.08 -1.90 -0.96 117.51 122.66 2dwm h ILE 92 Ca -0.44 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2dwm h ILE 92 Cb 1.20 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 2dwm h ILE 92 CO 0.92 0.06 -0.15 1.23 -0.69 0.00 0.00 178.15 179.52 2dwm h GLY 93 N 0.35 -0.04 0.71 5.37 0.00 -1.89 -0.83 103.07 106.75 2dwm h GLY 93 Ca 0.45 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 2dwm h GLY 93 CO -0.49 -0.15 -0.32 -1.80 0.00 0.00 0.00 176.54 173.78 2dwm h ASP 94 N -0.16 -0.84 0.18 0.19 -0.00 -1.57 -1.41 116.42 112.81 2dwm h ASP 94 Ca 0.11 0.07 0.01 0.00 -0.00 0.00 0.00 57.03 57.22 2dwm h ASP 94 Cb 0.33 0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 39.89 2dwm h ASP 94 CO -0.27 -0.46 -0.35 0.58 -0.00 0.00 0.00 179.24 178.73 2dwm h VAL 95 N -0.69 0.26 -0.14 2.25 2.07 -1.21 0.13 116.25 118.91 2dwm h VAL 95 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2dwm h VAL 95 Cb 0.61 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 2dwm h VAL 95 CO -0.03 0.00 -0.41 -0.07 0.02 0.00 0.00 177.57 177.08 2dwm h LEU 96 N -0.62 -1.29 -0.34 2.57 3.38 -1.11 0.89 115.31 118.79 2dwm h LEU 96 Ca 0.02 0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2dwm h LEU 96 Cb 0.63 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2dwm h LEU 96 CO -0.17 -0.42 -0.23 -0.26 0.09 0.00 0.00 178.44 177.45 2dwm h PHE 97 N -0.48 0.89 0.00 1.13 -1.00 -1.16 0.56 116.94 116.88 2dwm h PHE 97 Ca 0.08 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.61 2dwm h PHE 97 Cb 0.62 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 2dwm h PHE 97 CO -0.48 0.99 -0.07 0.45 -1.61 0.00 0.00 178.31 177.59 2dwm h HIS 98 N 0.54 0.00 0.00 -0.55 3.86 -0.62 -2.57 115.15 115.81 2dwm h HIS 98 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2dwm h HIS 98 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 2dwm h HIS 98 CO 0.06 0.07 -0.87 0.00 0.86 0.00 0.00 177.93 178.05 2dwm h ALA 99 N 1.93 0.54 0.29 2.45 0.00 0.16 -3.39 119.26 121.24 2dwm h ALA 99 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2dwm h ALA 99 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2dwm h ALA 99 CO 0.01 0.00 -0.14 1.25 0.00 0.00 0.00 179.25 180.37 2dwm h LEU 100 N 0.00 -0.33 -0.02 0.00 5.85 0.53 -3.00 115.31 118.35 2dwm h LEU 100 Ca 0.00 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2dwm h LEU 100 Cb 0.94 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2dwm h LEU 100 CO 0.00 -0.12 -0.38 -0.65 -0.34 0.00 0.00 178.44 176.95 2dwm h PRO 101 N -0.52 -0.44 -1.28 5.25 0.11 -1.75 -1.46 132.00 131.90 2dwm h PRO 101 Ca -0.04 0.03 0.38 0.00 0.11 0.00 0.00 66.00 66.48 2dwm h PRO 101 Cb 0.39 0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.50 2dwm h PRO 101 CO 0.06 -0.30 0.85 0.82 -0.21 0.00 0.00 178.00 179.23 2dwm h ILE 102 N -0.46 0.28 -0.28 4.15 5.03 -1.77 0.20 117.51 124.66 2dwm h ILE 102 Ca 0.01 -0.05 -0.15 0.00 -0.12 0.00 0.00 64.86 64.55 2dwm h ILE 102 Cb 0.50 0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 34.40 2dwm h ILE 102 CO -0.27 0.03 -0.43 -0.07 -0.68 0.00 0.00 178.15 176.73 2dwm h LEU 103 N 0.15 0.75 -1.15 1.44 3.38 -1.12 -3.53 115.31 115.22 2dwm h LEU 103 Ca 0.72 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dwm h LEU 103 Cb 2.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.86 2dwm h LEU 103 CO -0.27 1.07 0.00 0.18 0.09 0.00 0.00 178.44 179.51