#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwm s VAL 3 N 0.00 1.14 -0.33 0.52 -7.23 -1.26 -5.12 120.40 108.12 2dwm s VAL 3 Ca 0.00 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.49 2dwm s VAL 3 Cb 0.00 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2dwm s VAL 3 CO 0.00 0.34 0.22 0.00 -0.31 0.00 0.00 175.10 175.35 2dwm s ALA 4 N 0.11 3.48 -0.52 1.32 0.00 -1.26 -5.05 121.76 119.84 2dwm s ALA 4 Ca -0.04 -1.35 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 2dwm s ALA 4 Cb -0.10 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.43 2dwm s ALA 4 CO 0.01 -0.92 1.31 -1.01 0.00 0.00 0.00 175.76 175.15 2dwm s HIS 5 N 1.71 2.48 -0.16 0.00 3.76 -1.26 -5.01 115.29 116.81 2dwm s HIS 5 Ca 0.06 0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 55.45 2dwm s HIS 5 Cb -0.17 -4.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.06 2dwm s HIS 5 CO 0.10 -1.75 0.04 0.08 -0.85 0.00 0.00 174.74 172.36 2dwm s VAL 6 N 5.37 4.61 0.09 -0.90 1.01 -1.26 -5.11 120.40 124.22 2dwm s VAL 6 Ca 0.51 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 2dwm s VAL 6 Cb -0.10 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2dwm s VAL 6 CO 0.28 0.49 0.46 0.00 0.00 0.00 0.00 175.10 176.34 2dwm s ALA 7 N 0.12 3.66 0.05 5.51 0.00 -1.26 -5.09 121.76 124.75 2dwm s ALA 7 Ca 0.04 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.80 2dwm s ALA 7 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 2dwm s ALA 7 CO 0.01 0.51 -0.15 -0.51 0.00 0.00 0.00 175.76 175.62 2dwm s LEU 8 N -1.79 2.21 -1.11 0.00 1.43 -1.26 -5.02 118.68 113.14 2dwm s LEU 8 Ca 0.33 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 2dwm s LEU 8 Cb -0.15 -0.62 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 2dwm s LEU 8 CO 0.18 0.01 2.22 -0.81 0.23 0.00 0.00 176.35 178.18 2dwm n PRO 9 N 1.63 2.34 -2.28 1.29 -0.04 -1.26 -4.91 135.00 131.78 2dwm n PRO 9 Ca -0.19 -1.97 -0.36 0.00 -0.04 0.00 0.00 63.50 60.94 2dwm n PRO 9 Cb 0.54 -2.85 -0.00 0.00 -0.04 0.00 0.00 33.50 31.15 2dwm n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dwm s VAL 10 N 3.67 3.18 0.99 0.52 0.11 -1.26 -5.02 120.40 122.58 2dwm s VAL 10 Ca 0.52 0.79 -0.13 0.00 -2.93 0.00 0.00 61.98 60.23 2dwm s VAL 10 Cb 0.14 -3.36 0.08 0.00 -1.53 0.00 0.00 36.38 31.71 2dwm s VAL 10 CO -0.00 -0.10 0.48 -2.65 -3.33 0.00 0.00 175.10 169.49 2dwm n PRO 11 N -0.94 -0.68 0.00 1.54 -0.02 -1.26 -4.98 135.00 128.66 2dwm n PRO 11 Ca 0.10 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2dwm n PRO 11 Cb 0.50 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.02 0.00 -4.40 2.45 7.94 -1.26 -3.81 117.00 115.90 2dwm n LEU 12 Ca 0.06 0.16 -0.45 0.00 -1.11 0.00 0.00 56.01 54.67 2dwm n LEU 12 Cb 0.55 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.46 2dwm n LEU 12 CO 0.51 0.00 0.61 -2.16 -1.11 0.00 0.00 177.39 175.24 2dwm s PRO 13 N -0.59 3.27 -0.51 1.96 0.04 -1.26 -4.87 135.00 133.05 2dwm s PRO 13 Ca 0.00 -1.51 -0.27 0.00 0.04 0.00 0.00 61.00 59.26 2dwm s PRO 13 Cb 0.00 -4.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.08 2dwm s PRO 13 CO 0.00 -1.61 1.73 0.50 0.04 0.00 0.00 177.00 177.66 2dwm s ARG 14 N 2.57 3.02 0.34 4.56 3.00 -1.25 -4.96 118.95 126.24 2dwm s ARG 14 Ca 0.19 0.85 0.05 0.00 -1.00 0.00 0.00 55.73 55.82 2dwm s ARG 14 Cb -0.16 -4.26 -0.07 0.00 0.00 0.00 0.00 34.95 30.46 2dwm s ARG 14 CO 0.01 -2.25 0.03 -0.08 0.00 0.00 0.00 175.30 173.00 2dwm s THR 15 N 7.64 1.49 -0.23 4.11 -1.32 -1.26 -4.86 115.64 121.21 2dwm s THR 15 Ca 0.68 -2.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.07 2dwm s THR 15 Cb -0.15 -2.79 -0.03 0.00 -1.51 0.00 0.00 72.50 68.02 2dwm s THR 15 CO 0.26 -0.05 0.04 -0.36 -2.21 0.00 0.00 174.62 172.30 2dwm s PHE 16 N -3.09 3.08 0.09 9.09 0.40 -1.26 -5.10 117.98 121.19 2dwm s PHE 16 Ca 0.35 -0.43 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 2dwm s PHE 16 Cb 0.08 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.38 2dwm s PHE 16 CO 0.16 -0.31 0.88 -0.51 0.70 0.00 0.00 175.22 176.14 2dwm s ASP 17 N 1.37 7.38 0.01 1.36 -0.00 -1.26 -5.06 116.67 120.47 2dwm s ASP 17 Ca 0.05 1.65 0.03 0.00 -0.00 0.00 0.00 52.55 54.28 2dwm s ASP 17 Cb -0.15 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.22 2dwm s ASP 17 CO 0.02 -0.03 -0.10 -0.31 -0.00 0.00 0.00 175.17 174.75 2dwm s TYR 18 N -0.04 0.90 0.08 4.23 1.51 -1.26 -4.74 117.35 118.03 2dwm s TYR 18 Ca 0.43 -0.25 -0.20 0.00 -1.01 0.00 0.00 57.07 56.05 2dwm s TYR 18 Cb -0.22 -0.56 -0.07 0.00 -0.11 0.00 0.00 41.96 41.00 2dwm s TYR 18 CO 0.27 -0.01 0.59 -1.17 -1.11 0.00 0.00 175.55 174.12 2dwm s LEU 19 N -0.63 4.53 -0.48 -1.29 0.20 -0.79 -4.78 118.68 115.44 2dwm s LEU 19 Ca 0.01 1.30 -0.20 0.00 0.69 0.00 0.00 54.13 55.93 2dwm s LEU 19 Cb -0.05 -2.94 0.04 0.00 -0.43 0.00 0.00 46.19 42.81 2dwm s LEU 19 CO 0.00 0.27 0.64 -0.22 -0.29 0.00 0.00 176.35 176.75 2dwm s LEU 20 N -1.12 4.72 1.03 -0.68 2.96 -1.26 0.74 118.68 125.07 2dwm s LEU 20 Ca 0.30 -0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 53.36 2dwm s LEU 20 Cb -0.20 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2dwm s LEU 20 CO 0.20 -0.86 -0.51 -2.65 -1.32 0.00 0.00 176.35 171.21 2dwm n PRO 21 N 6.27 -0.58 -1.96 0.98 -0.02 -1.26 -4.80 135.00 133.62 2dwm n PRO 21 Ca -0.04 -0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 2dwm n PRO 21 Cb 0.47 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 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 -2.80 4.18 0.00 -0.52 2.12 -1.26 -2.37 118.70 118.05 2dwm s GLU 22 Ca 0.47 2.25 0.00 0.00 0.36 0.00 0.00 54.97 58.05 2dwm s GLU 22 Cb -0.08 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.30 2dwm s GLU 22 CO 0.70 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2dwm n GLY 23 N 4.19 0.88 3.65 -1.50 0.00 -1.26 -5.04 105.19 106.10 2dwm n GLY 23 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.76 4.22 -0.06 1.61 0.00 -1.00 -5.06 119.30 118.24 2dwm s MET 24 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 55.69 56.73 2dwm s MET 24 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 34.83 31.21 2dwm s MET 24 CO 0.00 -0.48 -0.15 -0.08 0.00 0.00 0.00 175.02 174.31 2dwm s THR 25 N 2.71 1.32 0.08 10.11 -1.32 -1.26 -4.75 115.64 122.53 2dwm s THR 25 Ca 0.37 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 60.26 2dwm s THR 25 Cb -0.16 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 2dwm s THR 25 CO 0.08 0.39 -0.08 0.68 -2.21 0.00 0.00 174.62 173.49 2dwm s VAL 26 N 0.48 0.70 0.29 5.08 -7.23 -1.26 -5.07 120.40 113.38 2dwm s VAL 26 Ca -0.13 -1.64 0.12 0.00 -1.81 0.00 0.00 61.98 58.51 2dwm s VAL 26 Cb -0.15 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2dwm s VAL 26 CO 0.04 -0.68 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.23 2dwm s LYS 27 N -3.02 1.74 0.31 4.82 2.20 -1.26 -4.98 119.74 119.55 2dwm s LYS 27 Ca 0.05 -1.76 -0.29 0.00 -0.36 0.00 0.00 55.97 53.60 2dwm s LYS 27 Cb -0.00 -1.79 -0.12 0.00 -1.51 0.00 0.00 37.83 34.40 2dwm s LYS 27 CO -0.02 0.31 1.41 0.00 -0.36 0.00 0.00 175.35 176.68 2dwm n ALA 28 N -0.66 1.61 -0.32 3.13 0.00 -1.26 -2.50 120.51 120.51 2dwm n ALA 28 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2dwm n ALA 28 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.42 0.80 3.60 0.00 0.00 -0.33 -4.72 105.19 105.96 2dwm n GLY 29 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.97 3.97 0.19 0.00 0.52 -1.26 -0.65 118.95 119.74 2dwm s ARG 31 Ca 0.21 0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 56.01 2dwm s ARG 31 Cb -0.11 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.07 2dwm s ARG 31 CO 0.13 -0.02 0.48 0.14 0.02 0.00 0.00 175.30 176.05 2dwm s VAL 32 N -2.26 0.03 0.02 3.52 -7.23 -0.77 -1.90 120.40 111.81 2dwm s VAL 32 Ca 0.56 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 2dwm s VAL 32 Cb -0.10 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2dwm s VAL 32 CO 0.23 -0.15 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.72 2dwm s ARG 33 N -3.89 2.65 0.07 4.82 0.52 0.96 -1.49 118.95 122.59 2dwm s ARG 33 Ca 0.10 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 2dwm s ARG 33 Cb -0.00 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.89 2dwm s ARG 33 CO -0.02 0.60 0.26 0.14 0.02 0.00 0.00 175.30 176.29 2dwm s VAL 34 N -1.11 0.10 0.77 3.52 -7.23 -0.90 -1.93 120.40 113.63 2dwm s VAL 34 Ca 0.20 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.40 2dwm s VAL 34 Cb -0.11 -1.08 0.05 0.00 0.56 0.00 0.00 36.38 35.80 2dwm s VAL 34 CO 0.11 -0.47 1.08 -2.84 -0.31 0.00 0.00 175.10 172.67 2dwm s PRO 35 N -3.09 2.29 0.19 4.82 0.02 -1.26 -3.17 135.00 134.80 2dwm s PRO 35 Ca -0.01 0.94 -0.07 0.00 0.02 0.00 0.00 61.00 61.87 2dwm s PRO 35 Cb 0.01 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 2dwm s PRO 35 CO -0.07 -1.55 0.27 0.12 -0.33 0.00 0.00 177.00 175.44 2dwm s PHE 36 N -3.01 0.62 0.00 6.54 5.36 -0.24 -4.91 117.98 122.35 2dwm s PHE 36 Ca 0.60 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 2dwm s PHE 36 Cb -0.16 -0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.36 2dwm s PHE 36 CO 0.55 -0.74 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 2dwm n GLY 37 N -0.25 0.00 1.97 13.12 0.00 -1.26 -3.41 105.19 115.36 2dwm n GLY 37 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2dwm n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dwm n LYS 38 N -0.16 2.02 0.00 1.61 2.85 -1.26 -4.61 118.16 118.60 2dwm n LYS 38 Ca 0.00 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.97 2dwm n LYS 38 Cb 0.00 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 2dwm n LYS 38 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2dwm n GLN 39 N -0.59 0.00 -1.30 -1.58 -0.06 -1.22 -5.17 117.38 107.46 2dwm n GLN 39 Ca 0.45 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 55.14 2dwm n GLN 39 Cb 1.14 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 27.41 2dwm n GLN 39 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2dwm s GLN 40 N 0.00 2.33 0.45 3.69 -1.52 -1.25 -4.84 119.66 118.52 2dwm s GLN 40 Ca 0.00 1.13 0.07 0.00 -1.95 0.00 0.00 55.36 54.61 2dwm s GLN 40 Cb 0.00 -1.91 -0.01 0.00 -0.22 0.00 0.00 33.01 30.87 2dwm s GLN 40 CO 0.00 -1.58 0.37 -1.21 -0.25 0.00 0.00 175.29 172.61 2dwm s GLU 41 N -4.92 2.41 -0.12 2.91 2.02 -1.26 -1.08 118.70 118.65 2dwm s GLU 41 Ca 0.61 -1.71 -0.33 0.00 0.02 0.00 0.00 54.97 53.56 2dwm s GLU 41 Cb -0.17 -2.26 0.13 0.00 0.10 0.00 0.00 34.13 31.94 2dwm s GLU 41 CO 0.56 -0.31 1.21 0.50 0.02 0.00 0.00 175.26 177.24 2dwm s ARG 42 N -4.15 0.39 -0.04 1.61 3.52 -1.19 -4.91 118.95 114.18 2dwm s ARG 42 Ca 0.44 -0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2dwm s ARG 42 Cb -0.02 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2dwm s ARG 42 CO 0.26 -0.17 0.01 0.42 -0.81 0.00 0.00 175.30 175.01 2dwm s ILE 43 N -2.49 4.32 0.26 4.11 1.01 -1.26 -2.12 121.20 125.03 2dwm s ILE 43 Ca 0.11 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2dwm s ILE 43 Cb 0.01 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2dwm s ILE 43 CO -0.04 0.47 0.15 0.61 0.00 0.00 0.00 174.94 176.13 2dwm n GLY 44 N 1.68 3.36 2.99 6.18 0.00 -0.56 -4.97 105.19 113.86 2dwm n GLY 44 Ca -0.16 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 2dwm n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dwm s ILE 45 N -2.80 1.05 0.07 -0.61 1.01 -1.26 -1.84 121.20 116.81 2dwm s ILE 45 Ca 0.22 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 2dwm s ILE 45 Cb 0.01 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.42 2dwm s ILE 45 CO 0.15 0.34 1.51 -0.69 0.00 0.00 0.00 174.94 176.25 2dwm s VAL 46 N 0.87 3.25 -0.14 2.92 1.01 0.17 -4.90 120.40 123.59 2dwm s VAL 46 Ca -0.11 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.74 2dwm s VAL 46 Cb -0.15 -3.49 -0.23 0.00 0.00 0.00 0.00 36.38 32.51 2dwm s VAL 46 CO 0.01 0.02 0.30 0.52 0.00 0.00 0.00 175.10 175.95 2dwm n VAL 47 N 4.44 1.54 -3.79 2.92 0.31 -1.26 -1.19 118.33 121.29 2dwm n VAL 47 Ca 0.14 -0.77 -0.03 0.00 -0.01 0.00 0.00 64.34 63.67 2dwm n VAL 47 Cb 0.42 -0.97 -0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 -6.05 -0.09 -0.15 4.52 1.04 -1.26 -4.72 113.70 106.99 2dwm s SER 48 Ca -0.13 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 2dwm s SER 48 Cb 0.07 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.70 2dwm s SER 48 CO 0.79 -0.86 0.08 -0.69 0.98 0.00 0.00 173.24 173.54 2dwm s VAL 49 N -2.75 -0.03 0.00 5.02 1.01 -1.26 -4.94 120.40 117.46 2dwm s VAL 49 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2dwm s VAL 49 Cb -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2dwm s VAL 49 CO 0.03 -0.21 0.00 -1.54 0.00 0.00 0.00 175.10 173.38 2dwm n SER 50 N 5.26 1.22 -0.65 3.32 3.41 -1.26 -5.04 113.62 119.88 2dwm n SER 50 Ca -0.07 -0.84 0.07 0.00 -0.26 0.00 0.00 58.87 57.77 2dwm n SER 50 Cb 0.49 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.56 2dwm n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dwm n ASP 51 N -1.49 2.64 -3.60 4.04 -0.08 -1.26 -5.00 116.55 111.80 2dwm n ASP 51 Ca 0.00 -1.79 -0.14 0.00 -1.51 0.00 0.00 54.79 51.34 2dwm n ASP 51 Cb 0.00 -0.15 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 2dwm n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dwm s ALA 52 N -1.04 -1.30 0.15 -1.67 0.00 -1.26 -5.16 121.76 111.48 2dwm s ALA 52 Ca 0.22 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.87 2dwm s ALA 52 Cb 0.13 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2dwm s ALA 52 CO 0.18 -0.46 -0.12 -1.54 0.00 0.00 0.00 175.76 173.82 2dwm s SER 53 N -1.81 1.98 0.00 0.00 1.04 -1.26 -5.00 113.70 108.65 2dwm s SER 53 Ca -0.07 -0.95 0.08 0.00 0.48 0.00 0.00 55.95 55.50 2dwm s SER 53 Cb -0.01 -0.05 0.48 0.00 0.10 0.00 0.00 66.02 66.54 2dwm s SER 53 CO 0.00 -0.24 0.91 1.21 0.98 0.00 0.00 173.24 176.10 2dwm n GLU 54 N 0.02 0.45 -4.21 4.02 4.07 -1.26 -4.73 120.64 119.00 2dwm n GLU 54 Ca -0.12 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.84 2dwm n GLU 54 Cb 0.59 -1.28 -0.11 0.00 -0.06 0.00 0.00 31.44 30.59 2dwm n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dwm s LEU 55 N -1.56 2.45 -0.36 4.31 2.01 -1.26 -5.10 118.68 119.17 2dwm s LEU 55 Ca 0.12 -0.88 -0.43 0.00 0.01 0.00 0.00 54.13 52.95 2dwm s LEU 55 Cb 0.06 -0.36 -0.17 0.00 0.01 0.00 0.00 46.19 45.72 2dwm s LEU 55 CO 0.09 -0.27 1.67 -2.65 1.01 0.00 0.00 176.35 176.21 2dwm n PRO 56 N 0.29 0.67 0.30 1.29 -0.02 -1.26 -4.79 135.00 131.47 2dwm n PRO 56 Ca -0.14 0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.67 2dwm n PRO 56 Cb 0.59 -1.85 0.46 0.00 -0.02 0.00 0.00 33.50 32.68 2dwm n PRO 56 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 2dwm h LEU 57 N 6.22 0.00 0.00 2.45 -0.00 -1.98 0.51 115.31 122.50 2dwm h LEU 57 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2dwm h LEU 57 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2dwm h LEU 57 CO 0.96 0.00 -1.24 -0.46 -0.00 0.00 0.00 178.44 177.70 2dwm n ASN 58 N -2.57 2.47 0.00 0.17 2.04 -1.26 -4.40 115.26 111.72 2dwm n ASN 58 Ca -0.01 -0.13 0.05 0.00 -0.44 0.00 0.00 54.58 54.05 2dwm n ASN 58 Cb 0.57 1.34 0.29 0.00 -2.53 0.00 0.00 39.78 39.46 2dwm n ASN 58 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2dwm n GLU 59 N -1.71 0.60 -3.74 -3.83 2.13 0.16 -4.69 120.64 109.56 2dwm n GLU 59 Ca -0.01 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.44 2dwm n GLU 59 Cb 0.22 -1.26 -0.12 0.00 0.27 0.00 0.00 31.44 30.55 2dwm n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dwm s LEU 60 N -1.52 3.64 0.92 4.31 1.43 -1.21 -4.96 118.68 121.29 2dwm s LEU 60 Ca 0.15 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 2dwm s LEU 60 Cb 0.07 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2dwm s LEU 60 CO 0.11 -0.01 0.50 0.29 0.23 0.00 0.00 176.35 177.47 2dwm n LYS 61 N 4.80 -0.23 -4.26 1.70 4.76 -1.26 -4.53 118.16 119.14 2dwm n LYS 61 Ca -0.16 -0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 54.96 2dwm n LYS 61 Cb 0.52 -1.91 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 2dwm n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dwm s ALA 62 N -2.36 3.08 0.51 7.82 0.00 -1.26 -1.88 121.76 127.67 2dwm s ALA 62 Ca 0.59 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 2dwm s ALA 62 Cb -0.23 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.76 2dwm s ALA 62 CO 0.65 0.65 0.89 0.28 0.00 0.00 0.00 175.76 178.23 2dwm n VAL 63 N 0.91 2.80 -0.09 0.00 0.31 0.23 -4.54 118.33 117.95 2dwm n VAL 63 Ca -0.13 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 2dwm n VAL 63 Cb 0.52 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.38 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 -1.15 1.49 -3.80 2.52 0.31 -0.81 -4.70 118.33 112.20 2dwm n VAL 64 Ca 0.11 0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2dwm n VAL 64 Cb 0.43 -2.35 -0.10 0.00 -0.91 0.00 0.00 33.84 30.92 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 -2.84 0.54 -0.39 5.55 2.12 -1.20 -4.97 118.70 117.51 2dwm s GLU 65 Ca -0.28 -0.13 -0.14 0.00 0.36 0.00 0.00 54.97 54.78 2dwm s GLU 65 Cb 0.04 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.69 2dwm s GLU 65 CO 0.41 -0.13 0.27 0.54 -0.54 0.00 0.00 175.26 175.81 2dwm s VAL 66 N -1.04 5.11 -0.36 3.70 0.11 -1.26 -0.03 120.40 126.63 2dwm s VAL 66 Ca -0.11 -0.65 0.22 0.00 -2.93 0.00 0.00 61.98 58.51 2dwm s VAL 66 Cb -0.05 -3.82 0.22 0.00 -1.53 0.00 0.00 36.38 31.20 2dwm s VAL 66 CO 0.03 -0.26 1.43 -0.07 -3.33 0.00 0.00 175.10 172.90 2dwm h LEU 67 N 8.57 0.00 -8.35 2.54 3.38 -1.72 -3.45 115.31 116.27 2dwm h LEU 67 Ca -0.27 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.12 2dwm h LEU 67 Cb 1.12 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.57 2dwm h LEU 67 CO 0.71 0.06 -0.84 -1.81 0.09 0.00 0.00 178.44 176.64 2dwm s ASP 68 N -6.01 2.25 0.00 -0.43 1.01 -1.22 -4.95 116.67 107.32 2dwm s ASP 68 Ca 0.05 -0.35 0.19 0.00 0.71 0.00 0.00 52.55 53.14 2dwm s ASP 68 Cb 0.06 -0.33 0.05 0.00 1.01 0.00 0.00 42.92 43.71 2dwm s ASP 68 CO 0.71 0.22 0.99 -1.20 0.21 0.00 0.00 175.17 176.10 2dwm n SER 69 N 2.71 2.04 -4.07 0.27 7.64 -1.26 -4.74 113.62 116.21 2dwm n SER 69 Ca -0.16 -1.52 -0.15 0.00 1.01 0.00 0.00 58.87 58.05 2dwm n SER 69 Cb 0.53 0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 63.93 2dwm n SER 69 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dwm s GLU 70 N -1.94 0.61 -0.07 1.43 1.03 -1.26 -4.98 118.70 113.53 2dwm s GLU 70 Ca 0.18 -0.65 -0.30 0.00 0.03 0.00 0.00 54.97 54.23 2dwm s GLU 70 Cb 0.15 -0.49 -0.04 0.00 -0.80 0.00 0.00 34.13 32.95 2dwm s GLU 70 CO 0.39 0.11 1.43 -1.25 -1.33 0.00 0.00 175.26 174.61 2dwm s PRO 71 N -1.19 4.24 0.10 -4.83 0.04 -1.26 -4.77 135.00 127.32 2dwm s PRO 71 Ca -0.04 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.03 2dwm s PRO 71 Cb -0.08 -3.76 0.48 0.00 0.04 0.00 0.00 34.50 31.18 2dwm s PRO 71 CO 0.01 -0.70 1.31 1.55 0.04 0.00 0.00 177.00 179.20 2dwm n VAL 72 N 5.13 1.48 -4.28 -0.36 3.14 -0.98 -4.60 118.33 117.87 2dwm n VAL 72 Ca 0.15 0.48 -0.27 0.00 -2.96 0.00 0.00 64.34 61.74 2dwm n VAL 72 Cb 0.44 -1.42 -0.09 0.00 -1.06 0.00 0.00 33.84 31.70 2dwm n VAL 72 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2dwm s PHE 73 N -3.15 2.67 0.42 1.45 0.40 -1.26 -5.11 117.98 113.39 2dwm s PHE 73 Ca 0.01 -0.21 -0.23 0.00 -0.60 0.00 0.00 56.93 55.90 2dwm s PHE 73 Cb 0.04 -1.30 -0.09 0.00 0.51 0.00 0.00 43.02 42.18 2dwm s PHE 73 CO 0.13 0.51 1.04 0.99 0.70 0.00 0.00 175.22 178.60 2dwm s THR 74 N -1.71 3.77 0.38 0.64 2.01 -1.26 -4.85 115.64 114.62 2dwm s THR 74 Ca 0.25 1.28 0.18 0.00 0.31 0.00 0.00 61.69 63.71 2dwm s THR 74 Cb -0.09 -3.62 0.38 0.00 0.01 0.00 0.00 72.50 69.18 2dwm s THR 74 CO 0.16 -0.06 1.71 -0.74 -0.69 0.00 0.00 174.62 175.00 2dwm h HIS 75 N 2.25 0.76 0.00 4.92 2.76 -1.99 0.40 115.15 124.25 2dwm h HIS 75 Ca -0.49 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.69 2dwm h HIS 75 Cb 1.21 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.96 2dwm h HIS 75 CO 0.58 -0.04 -0.14 0.66 -1.30 0.00 0.00 177.93 177.69 2dwm h SER 76 N 0.36 0.00 -0.89 3.26 4.64 -2.00 -3.14 113.55 115.79 2dwm h SER 76 Ca 0.67 -0.45 0.24 0.00 -0.47 0.00 0.00 61.79 61.78 2dwm h SER 76 Cb 1.69 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.63 2dwm h SER 76 CO -0.42 0.80 0.25 0.58 -0.87 0.00 0.00 176.83 177.18 2dwm h VAL 77 N -1.00 0.31 0.49 0.95 2.07 -1.83 0.18 116.25 117.42 2dwm h VAL 77 Ca -0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2dwm h VAL 77 Cb 0.55 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2dwm h VAL 77 CO -0.02 0.04 -0.51 -0.25 0.02 0.00 0.00 177.57 176.85 2dwm h TRP 78 N 0.21 -1.42 -0.87 1.57 2.91 -1.05 0.85 115.95 118.15 2dwm h TRP 78 Ca 0.56 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.72 2dwm h TRP 78 Cb 1.14 0.56 -0.07 0.00 -0.51 0.00 0.00 29.16 30.28 2dwm h TRP 78 CO -0.25 -0.68 0.56 -0.09 -1.03 0.00 0.00 178.44 176.96 2dwm h ARG 79 N -1.01 0.69 0.55 2.65 2.43 -0.93 -0.83 114.38 117.94 2dwm h ARG 79 Ca -0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2dwm h ARG 79 Cb 0.88 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2dwm h ARG 79 CO -0.07 0.46 -0.26 1.25 -1.51 0.00 0.00 179.97 179.83 2dwm h LEU 80 N 0.71 -0.62 -0.64 3.80 7.12 0.46 -1.91 115.31 124.23 2dwm h LEU 80 Ca 0.43 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.49 2dwm h LEU 80 Cb 0.65 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.88 2dwm h LEU 80 CO -0.19 -0.39 0.34 -0.07 -0.13 0.00 0.00 178.44 178.00 2dwm h LEU 81 N -0.81 0.47 -1.84 2.25 3.38 -0.23 0.44 115.31 118.97 2dwm h LEU 81 Ca -0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2dwm h LEU 81 Cb 0.60 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2dwm h LEU 81 CO 0.12 0.30 0.05 -0.07 0.09 0.00 0.00 178.44 178.93 2dwm h LEU 82 N 0.61 0.13 0.05 1.67 3.38 -1.06 0.28 115.31 120.37 2dwm h LEU 82 Ca 0.30 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2dwm h LEU 82 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2dwm h LEU 82 CO -0.20 0.12 -0.03 -0.25 0.09 0.00 0.00 178.44 178.17 2dwm h TRP 83 N 0.15 -0.07 -0.63 1.13 7.01 -0.11 -2.65 115.95 120.79 2dwm h TRP 83 Ca 0.04 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.17 2dwm h TRP 83 Cb 0.03 0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 27.00 2dwm h TRP 83 CO 0.00 0.54 -0.03 0.00 -2.79 0.00 0.00 178.44 176.16 2dwm h ALA 84 N -0.14 0.58 -0.39 2.65 0.00 0.25 0.24 119.26 122.44 2dwm h ALA 84 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2dwm h ALA 84 Cb 0.64 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2dwm h ALA 84 CO 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 2dwm h ALA 85 N 1.59 0.34 -0.01 0.00 0.00 -0.49 -1.89 119.26 118.80 2dwm h ALA 85 Ca 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2dwm h ALA 85 Cb 0.52 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dwm h ALA 85 CO -0.56 -0.40 -0.02 0.22 0.00 0.00 0.00 179.25 178.48 2dwm h ASP 86 N 0.09 0.04 -0.61 0.00 3.58 -0.57 0.60 116.42 119.54 2dwm h ASP 86 Ca 0.19 -0.54 -0.05 0.00 0.42 0.00 0.00 57.03 57.05 2dwm h ASP 86 Cb 0.27 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2dwm h ASP 86 CO -0.33 0.57 0.18 0.22 -2.88 0.00 0.00 179.24 177.00 2dwm h TYR 87 N -0.49 1.01 -0.52 0.28 3.20 -0.58 -2.91 116.97 116.97 2dwm h TYR 87 Ca 0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2dwm h TYR 87 Cb 0.56 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2dwm h TYR 87 CO 0.11 0.82 0.00 0.66 -1.64 0.00 0.00 178.16 178.11 2dwm n TYR 88 N -4.26 1.40 -3.76 -3.82 4.02 -0.72 -5.00 117.16 105.02 2dwm n TYR 88 Ca 0.05 -0.68 -0.26 0.00 -0.01 0.00 0.00 57.90 57.00 2dwm n TYR 88 Cb 0.22 -0.29 0.01 0.00 -0.02 0.00 0.00 39.34 39.25 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 0.61 -2.03 -4.64 -0.72 8.25 -1.01 -5.00 115.22 110.67 2dwm n HIS 89 Ca 0.24 0.74 -0.28 0.00 -0.26 0.00 0.00 57.72 58.15 2dwm n HIS 89 Cb 0.91 -2.93 -0.14 0.00 1.12 0.00 0.00 29.99 28.95 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 -3.09 2.18 0.05 4.41 3.76 0.17 -5.04 115.29 117.73 2dwm s HIS 90 Ca 0.09 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 2dwm s HIS 90 Cb -0.05 -1.26 -0.08 0.00 1.11 0.00 0.00 32.58 32.31 2dwm s HIS 90 CO 0.89 0.19 1.68 -2.14 -0.85 0.00 0.00 174.74 174.52 2dwm s PRO 91 N -1.54 4.19 0.40 8.40 0.02 -1.26 -4.59 135.00 140.61 2dwm s PRO 91 Ca 0.11 2.34 0.16 0.00 0.02 0.00 0.00 61.00 63.63 2dwm s PRO 91 Cb -0.10 -3.71 1.04 0.00 0.02 0.00 0.00 34.50 31.74 2dwm s PRO 91 CO 0.03 -0.77 1.83 0.97 -0.33 0.00 0.00 177.00 178.72 2dwm h ILE 92 N 5.01 0.65 -0.55 2.83 -0.00 -1.89 0.21 117.51 123.77 2dwm h ILE 92 Ca -0.43 -0.16 -0.06 0.00 -0.00 0.00 0.00 64.86 64.21 2dwm h ILE 92 Cb 1.20 0.15 -0.02 0.00 -0.00 0.00 0.00 36.82 38.15 2dwm h ILE 92 CO 0.93 0.08 0.09 1.23 -0.00 0.00 0.00 178.15 180.49 2dwm h GLY 93 N 0.46 0.94 0.86 8.18 0.00 -1.89 -1.60 103.07 110.02 2dwm h GLY 93 Ca 0.51 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2dwm h GLY 93 CO -0.23 0.54 -0.16 -1.80 0.00 0.00 0.00 176.54 174.89 2dwm h ASP 94 N 0.83 -0.38 0.40 0.19 -0.00 -0.99 -2.40 116.42 114.08 2dwm h ASP 94 Ca 0.17 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.03 57.12 2dwm h ASP 94 Cb 0.36 0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.77 2dwm h ASP 94 CO 0.01 -0.15 -0.43 0.58 -0.00 0.00 0.00 179.24 179.25 2dwm h VAL 95 N -0.60 0.14 0.09 2.25 2.07 -1.25 -1.66 116.25 117.30 2dwm h VAL 95 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2dwm h VAL 95 Cb 0.43 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2dwm h VAL 95 CO 0.07 0.00 -0.49 -0.07 0.02 0.00 0.00 177.57 177.10 2dwm h LEU 96 N -0.86 -1.48 -1.99 2.57 3.38 -1.33 0.52 115.31 116.12 2dwm h LEU 96 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dwm h LEU 96 Cb 0.76 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2dwm h LEU 96 CO -0.08 -0.53 0.00 -0.26 0.09 0.00 0.00 178.44 177.66 2dwm h PHE 97 N -0.70 0.00 0.03 1.13 -1.00 -1.41 -1.63 116.94 113.35 2dwm h PHE 97 Ca 0.01 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.46 2dwm h PHE 97 Cb 0.73 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.24 2dwm h PHE 97 CO -0.44 0.00 -1.92 0.72 -1.61 0.00 0.00 178.31 175.06 2dwm n HIS 98 N -2.83 0.86 0.01 -0.55 8.25 -0.63 -4.28 115.22 116.05 2dwm n HIS 98 Ca -0.01 0.27 -0.09 0.00 -0.26 0.00 0.00 57.72 57.63 2dwm n HIS 98 Cb 0.15 -1.14 0.07 0.00 1.12 0.00 0.00 29.99 30.19 2dwm n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dwm h ALA 99 N 0.72 0.75 0.19 -1.41 0.00 0.55 -3.32 119.26 116.73 2dwm h ALA 99 Ca -0.37 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2dwm h ALA 99 Cb 2.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 2dwm h ALA 99 CO 0.06 0.68 -0.35 1.25 0.00 0.00 0.00 179.25 180.89 2dwm h LEU 100 N 0.42 -1.02 -0.87 0.00 5.85 -1.50 -0.58 115.31 117.61 2dwm h LEU 100 Ca 0.01 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.92 2dwm h LEU 100 Cb 1.05 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 2dwm h LEU 100 CO 0.10 -0.41 0.52 -0.65 -0.34 0.00 0.00 178.44 177.66 2dwm h PRO 101 N -0.58 0.88 -0.25 5.25 0.11 -1.77 -1.00 132.00 134.64 2dwm h PRO 101 Ca -0.02 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 2dwm h PRO 101 Cb 0.55 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2dwm h PRO 101 CO -0.13 0.58 -0.05 0.82 -0.21 0.00 0.00 178.00 179.01 2dwm h ILE 102 N 0.91 1.18 0.00 4.15 5.03 -1.63 -1.49 117.51 125.66 2dwm h ILE 102 Ca 0.40 -0.75 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 2dwm h ILE 102 Cb 0.29 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 2dwm h ILE 102 CO -0.22 0.25 0.00 0.18 -0.68 0.00 0.00 178.15 177.68 2dwm n LEU 103 N -4.29 0.00 0.00 1.44 4.77 -0.24 -5.13 117.00 113.56 2dwm n LEU 103 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2dwm n LEU 103 Cb 0.25 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2dwm n LEU 103 CO 0.38 -0.15 0.20 0.18 -1.33 0.00 0.00 177.39 176.68