#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwl s VAL 3 N 0.00 3.58 -0.28 0.52 -7.23 -1.26 -5.10 120.40 110.63 2dwl s VAL 3 Ca 0.00 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.56 2dwl s VAL 3 Cb 0.00 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2dwl s VAL 3 CO 0.00 0.58 0.15 0.00 -0.31 0.00 0.00 175.10 175.52 2dwl s ALA 4 N -0.58 3.38 -0.68 1.32 0.00 -1.26 -5.04 121.76 118.91 2dwl s ALA 4 Ca 0.09 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 2dwl s ALA 4 Cb -0.12 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.71 2dwl s ALA 4 CO 0.02 -0.58 1.06 -1.01 0.00 0.00 0.00 175.76 175.24 2dwl s HIS 5 N 1.70 2.56 -0.10 0.00 3.76 -1.26 -5.01 115.29 116.94 2dwl s HIS 5 Ca 0.07 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 2dwl s HIS 5 Cb -0.16 -4.38 -0.05 0.00 1.11 0.00 0.00 32.58 29.10 2dwl s HIS 5 CO 0.08 -1.76 0.25 0.08 -0.85 0.00 0.00 174.74 172.54 2dwl s VAL 6 N 4.55 5.32 -0.10 -0.90 1.01 -1.26 -5.09 120.40 123.94 2dwl s VAL 6 Ca 0.26 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 2dwl s VAL 6 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2dwl s VAL 6 CO 0.12 0.54 0.28 0.00 0.00 0.00 0.00 175.10 176.04 2dwl s ALA 7 N -0.55 3.71 0.04 5.51 0.00 -1.26 -5.10 121.76 124.11 2dwl s ALA 7 Ca 0.17 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.74 2dwl s ALA 7 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2dwl s ALA 7 CO 0.06 0.37 -0.15 -0.51 0.00 0.00 0.00 175.76 175.53 2dwl s LEU 8 N -0.46 2.17 0.00 0.00 1.43 -1.26 -5.03 118.68 115.53 2dwl s LEU 8 Ca 0.18 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2dwl s LEU 8 Cb -0.14 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.31 2dwl s LEU 8 CO 0.07 0.06 2.52 -0.81 0.23 0.00 0.00 176.35 178.41 2dwl n PRO 9 N 1.92 1.32 -1.38 1.29 -0.04 -1.26 -4.95 135.00 131.90 2dwl n PRO 9 Ca -0.18 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.52 2dwl n PRO 9 Cb 0.54 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.63 2dwl n PRO 9 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dwl n VAL 10 N 1.92 1.35 -0.78 0.52 3.14 -1.26 -4.92 118.33 118.30 2dwl n VAL 10 Ca 0.16 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.71 2dwl n VAL 10 Cb 0.63 -0.40 0.13 0.00 -1.06 0.00 0.00 33.84 33.14 2dwl n VAL 10 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2dwl n PRO 11 N 0.64 -0.37 0.00 1.45 -0.02 -1.26 -4.94 135.00 130.49 2dwl n PRO 11 Ca 0.10 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2dwl n PRO 11 Cb 0.46 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2dwl n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2dwl n LEU 12 N -1.43 0.00 -4.54 2.45 7.94 -1.26 -3.83 117.00 116.33 2dwl n LEU 12 Ca 0.07 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.54 2dwl n LEU 12 Cb 0.54 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.42 2dwl n LEU 12 CO 0.51 0.00 0.39 -2.16 -1.11 0.00 0.00 177.39 175.02 2dwl s PRO 13 N 0.00 3.45 -0.31 1.96 0.05 -1.26 -4.89 135.00 134.00 2dwl s PRO 13 Ca 0.00 -0.19 -0.29 0.00 0.05 0.00 0.00 61.00 60.57 2dwl s PRO 13 Cb 0.00 -3.89 -0.00 0.00 0.05 0.00 0.00 34.50 30.66 2dwl s PRO 13 CO 0.00 -0.90 1.38 1.03 0.05 0.00 0.00 177.00 178.56 2dwl s ARG 14 N 2.80 3.82 0.15 4.56 0.52 -1.25 -4.98 118.95 124.57 2dwl s ARG 14 Ca 0.24 1.25 0.06 0.00 -0.52 0.00 0.00 55.73 56.75 2dwl s ARG 14 Cb -0.14 -3.94 -0.04 0.00 0.52 0.00 0.00 34.95 31.35 2dwl s ARG 14 CO 0.18 -1.25 -0.13 -0.08 0.02 0.00 0.00 175.30 174.04 2dwl s THR 15 N 4.76 1.35 -0.24 0.02 -1.32 -1.26 -4.83 115.64 114.11 2dwl s THR 15 Ca 0.60 -1.95 -0.09 0.00 -1.21 0.00 0.00 61.69 59.04 2dwl s THR 15 Cb -0.17 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 2dwl s THR 15 CO 0.26 -0.58 0.13 -0.36 -2.21 0.00 0.00 174.62 171.86 2dwl s PHE 16 N -2.76 3.23 0.10 9.09 0.40 -1.26 -5.08 117.98 121.70 2dwl s PHE 16 Ca 0.15 0.02 -0.28 0.00 -0.60 0.00 0.00 56.93 56.22 2dwl s PHE 16 Cb -0.01 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 41.20 2dwl s PHE 16 CO 0.03 -0.07 0.89 -0.51 0.70 0.00 0.00 175.22 176.25 2dwl s ASP 17 N 1.24 7.41 -0.00 1.36 -0.00 -1.26 -5.06 116.67 120.36 2dwl s ASP 17 Ca 0.06 1.68 0.02 0.00 -0.00 0.00 0.00 52.55 54.31 2dwl s ASP 17 Cb -0.14 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.92 40.22 2dwl s ASP 17 CO 0.05 -0.02 -0.06 -0.31 -0.00 0.00 0.00 175.17 174.83 2dwl s TYR 18 N -0.11 0.54 0.26 4.23 1.51 -1.26 -4.61 117.35 117.92 2dwl s TYR 18 Ca 0.43 -0.13 -0.25 0.00 -1.01 0.00 0.00 57.07 56.12 2dwl s TYR 18 Cb -0.22 -0.35 -0.09 0.00 -0.11 0.00 0.00 41.96 41.19 2dwl s TYR 18 CO 0.28 -0.01 0.86 -1.17 -1.11 0.00 0.00 175.55 174.39 2dwl s LEU 19 N -0.24 4.41 -0.42 -1.29 0.20 0.13 -4.79 118.68 116.68 2dwl s LEU 19 Ca 0.01 1.70 -0.16 0.00 0.69 0.00 0.00 54.13 56.38 2dwl s LEU 19 Cb -0.03 -3.75 0.02 0.00 -0.43 0.00 0.00 46.19 42.01 2dwl s LEU 19 CO -0.00 0.03 0.37 -0.22 -0.29 0.00 0.00 176.35 176.24 2dwl s LEU 20 N -1.81 4.99 0.89 -0.68 2.96 -1.26 -0.31 118.68 123.46 2dwl s LEU 20 Ca 0.45 -0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 2dwl s LEU 20 Cb -0.19 -2.28 0.06 0.00 0.50 0.00 0.00 46.19 44.28 2dwl s LEU 20 CO 0.24 -0.52 0.74 -2.65 -1.32 0.00 0.00 176.35 172.84 2dwl n PRO 21 N 5.39 -0.17 -1.68 0.98 -0.02 -1.26 -4.84 135.00 133.40 2dwl n PRO 21 Ca -0.09 0.01 -0.45 0.00 -2.02 0.00 0.00 63.50 60.95 2dwl n PRO 21 Cb 0.47 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2dwl n PRO 21 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2dwl n GLU 22 N -2.46 2.34 -0.16 -0.52 2.13 -1.26 -1.64 120.64 119.07 2dwl n GLU 22 Ca 0.10 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2dwl n GLU 22 Cb 0.52 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2dwl n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dwl n GLY 23 N 3.74 1.97 3.70 8.31 0.00 -1.26 -5.02 105.19 116.63 2dwl n GLY 23 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2dwl n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dwl s MET 24 N -0.24 4.26 0.01 1.61 0.00 -0.65 -5.08 119.30 119.20 2dwl s MET 24 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 55.69 56.03 2dwl s MET 24 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 34.83 31.34 2dwl s MET 24 CO 0.00 0.06 -0.03 -0.08 0.00 0.00 0.00 175.02 174.97 2dwl s THR 25 N 0.97 0.22 0.06 10.11 -1.32 -1.26 -4.70 115.64 119.72 2dwl s THR 25 Ca 0.23 -0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.34 2dwl s THR 25 Cb -0.15 -0.23 -0.01 0.00 -1.51 0.00 0.00 72.50 70.60 2dwl s THR 25 CO 0.09 -0.06 0.11 0.68 -2.21 0.00 0.00 174.62 173.23 2dwl s VAL 26 N -0.37 0.16 0.22 5.08 -7.23 -1.26 -5.02 120.40 111.98 2dwl s VAL 26 Ca -0.02 -1.28 0.09 0.00 -1.81 0.00 0.00 61.98 58.96 2dwl s VAL 26 Cb -0.03 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 2dwl s VAL 26 CO -0.00 -0.71 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.26 2dwl s LYS 27 N -3.40 2.12 0.25 4.82 2.20 -1.26 -4.96 119.74 119.51 2dwl s LYS 27 Ca 0.02 -1.35 -0.31 0.00 -0.36 0.00 0.00 55.97 53.97 2dwl s LYS 27 Cb 0.03 -2.14 -0.12 0.00 -1.51 0.00 0.00 37.83 34.09 2dwl s LYS 27 CO -0.08 0.40 1.54 0.00 -0.36 0.00 0.00 175.35 176.85 2dwl n ALA 28 N -0.32 1.95 -0.04 3.13 0.00 -1.26 -2.13 120.51 121.84 2dwl n ALA 28 Ca -0.09 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2dwl n ALA 28 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2dwl n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dwl n GLY 29 N 2.44 0.74 3.66 0.00 0.00 -0.03 -4.72 105.19 107.28 2dwl n GLY 29 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2dwl n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwl s ARG 31 N -2.03 4.09 0.00 0.00 0.52 -1.26 -0.42 118.95 119.86 2dwl s ARG 31 Ca 0.23 0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 56.18 2dwl s ARG 31 Cb -0.11 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.07 2dwl s ARG 31 CO 0.15 0.05 0.28 0.14 0.02 0.00 0.00 175.30 175.93 2dwl s VAL 32 N -2.11 0.07 -0.14 3.52 -7.23 -0.64 -2.14 120.40 111.74 2dwl s VAL 32 Ca 0.58 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 60.04 2dwl s VAL 32 Cb -0.10 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 2dwl s VAL 32 CO 0.16 -0.32 0.25 -0.13 -0.31 0.00 0.00 175.10 174.75 2dwl s ARG 33 N -1.70 4.04 0.09 4.82 0.52 0.49 -0.36 118.95 126.84 2dwl s ARG 33 Ca -0.11 0.04 -0.03 0.00 -0.52 0.00 0.00 55.73 55.11 2dwl s ARG 33 Cb -0.04 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2dwl s ARG 33 CO 0.02 0.42 0.05 0.14 0.02 0.00 0.00 175.30 175.94 2dwl s VAL 34 N -0.06 0.17 0.61 3.52 -7.23 -0.18 -1.60 120.40 115.62 2dwl s VAL 34 Ca 0.16 -1.72 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 2dwl s VAL 34 Cb -0.13 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2dwl s VAL 34 CO 0.04 -0.75 1.04 -2.84 -0.31 0.00 0.00 175.10 172.28 2dwl s PRO 35 N -3.95 3.37 -0.27 4.82 0.02 -1.26 -2.07 135.00 135.66 2dwl s PRO 35 Ca 0.12 1.05 -0.10 0.00 0.02 0.00 0.00 61.00 62.09 2dwl s PRO 35 Cb 0.07 -2.05 0.11 0.00 0.02 0.00 0.00 34.50 32.66 2dwl s PRO 35 CO -0.06 -0.76 0.59 0.12 -0.33 0.00 0.00 177.00 176.56 2dwl s PHE 36 N -2.71 -1.16 0.00 6.54 5.36 -0.21 -4.88 117.98 120.92 2dwl s PHE 36 Ca 0.60 2.09 0.00 0.00 -0.96 0.00 0.00 56.93 58.66 2dwl s PHE 36 Cb -0.14 0.65 0.00 0.00 -0.34 0.00 0.00 43.02 43.20 2dwl s PHE 36 CO 0.42 -0.60 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 2dwl n GLY 37 N 5.24 -2.26 1.75 13.12 0.00 -1.26 -2.96 105.19 118.82 2dwl n GLY 37 Ca -0.13 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 2dwl n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dwl n LYS 38 N -1.90 1.46 0.11 1.61 2.85 -1.26 -4.26 118.16 116.77 2dwl n LYS 38 Ca 0.00 -0.68 0.00 0.00 -1.05 0.00 0.00 58.31 56.58 2dwl n LYS 38 Cb 0.00 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2dwl n LYS 38 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2dwl n GLN 39 N 1.41 0.00 -2.12 -1.58 -0.06 -1.26 -5.17 117.38 108.60 2dwl n GLN 39 Ca 0.18 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.90 2dwl n GLN 39 Cb 0.60 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.84 2dwl n GLN 39 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2dwl s GLN 40 N -1.51 2.57 0.38 3.69 -1.52 -1.15 -4.92 119.66 117.19 2dwl s GLN 40 Ca 0.00 0.08 0.08 0.00 -1.95 0.00 0.00 55.36 53.57 2dwl s GLN 40 Cb 0.00 -2.12 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 2dwl s GLN 40 CO 0.00 -1.08 0.15 -1.21 -0.25 0.00 0.00 175.29 172.91 2dwl s GLU 41 N -5.26 2.26 -0.09 2.91 2.02 -1.26 -1.04 118.70 118.24 2dwl s GLU 41 Ca 0.58 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 2dwl s GLU 41 Cb -0.11 -2.05 0.12 0.00 0.10 0.00 0.00 34.13 32.19 2dwl s GLU 41 CO 0.48 -0.01 0.99 0.50 0.02 0.00 0.00 175.26 177.23 2dwl s ARG 42 N -3.87 0.65 -0.12 1.61 3.52 -0.88 -4.85 118.95 115.01 2dwl s ARG 42 Ca 0.39 -0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.77 2dwl s ARG 42 Cb 0.01 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 2dwl s ARG 42 CO 0.22 -0.26 0.24 0.42 -0.81 0.00 0.00 175.30 175.11 2dwl s ILE 43 N -2.30 5.34 0.32 4.11 1.01 -1.26 -1.01 121.20 127.40 2dwl s ILE 43 Ca 0.04 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.14 2dwl s ILE 43 Cb -0.01 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 2dwl s ILE 43 CO -0.05 0.52 0.10 0.61 0.00 0.00 0.00 174.94 176.12 2dwl n GLY 44 N 2.61 3.47 2.88 6.18 0.00 0.52 -4.94 105.19 115.90 2dwl n GLY 44 Ca -0.16 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 2dwl n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dwl s ILE 45 N -2.68 1.00 -0.07 -0.61 1.01 -1.26 -1.62 121.20 116.97 2dwl s ILE 45 Ca 0.14 -0.48 -0.34 0.00 0.00 0.00 0.00 60.65 59.98 2dwl s ILE 45 Cb 0.01 -1.15 -0.12 0.00 0.01 0.00 0.00 42.46 41.21 2dwl s ILE 45 CO 0.10 0.19 1.86 0.52 0.00 0.00 0.00 174.94 177.61 2dwl n VAL 46 N 4.92 0.54 -0.05 2.92 0.31 0.43 -4.85 118.33 122.56 2dwl n VAL 46 Ca -0.12 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 2dwl n VAL 46 Cb 0.48 -1.86 -0.14 0.00 -0.91 0.00 0.00 33.84 31.41 2dwl n VAL 46 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2dwl n VAL 47 N 5.03 1.57 -3.62 2.52 0.31 -1.26 -0.85 118.33 122.02 2dwl n VAL 47 Ca 0.22 -0.78 -0.03 0.00 -0.01 0.00 0.00 64.34 63.75 2dwl n VAL 47 Cb 0.30 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.20 2dwl n VAL 47 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dwl s SER 48 N -6.09 -0.15 -0.13 4.52 1.04 -1.26 -4.70 113.70 106.92 2dwl s SER 48 Ca -0.11 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2dwl s SER 48 Cb 0.07 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2dwl s SER 48 CO 0.80 -0.43 -0.12 -0.69 0.98 0.00 0.00 173.24 173.78 2dwl s VAL 49 N -2.68 1.36 0.00 5.02 1.01 -1.26 -4.96 120.40 118.88 2dwl s VAL 49 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2dwl s VAL 49 Cb 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2dwl s VAL 49 CO -0.04 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 173.94 2dwl n SER 50 N 4.77 1.96 -0.19 3.32 3.41 -1.26 -5.05 113.62 120.58 2dwl n SER 50 Ca -0.16 -0.67 0.02 0.00 -0.26 0.00 0.00 58.87 57.80 2dwl n SER 50 Cb 0.50 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.50 2dwl n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dwl n ASP 51 N -0.69 2.25 -3.55 4.04 -0.08 -1.26 -5.03 116.55 112.23 2dwl n ASP 51 Ca 0.00 -1.98 -0.17 0.00 -1.51 0.00 0.00 54.79 51.13 2dwl n ASP 51 Cb 0.00 -0.07 -0.06 0.00 2.34 0.00 0.00 41.12 43.33 2dwl n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dwl s ALA 52 N -0.98 -1.66 0.12 -1.67 0.00 -1.26 -5.13 121.76 111.18 2dwl s ALA 52 Ca 0.07 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.32 2dwl s ALA 52 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2dwl s ALA 52 CO 0.05 -0.36 -0.10 -1.54 0.00 0.00 0.00 175.76 173.81 2dwl s SER 53 N -1.11 1.60 0.00 0.00 1.04 -1.26 -5.02 113.70 108.95 2dwl s SER 53 Ca -0.11 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 55.50 2dwl s SER 53 Cb -0.01 -0.00 0.36 0.00 0.10 0.00 0.00 66.02 66.47 2dwl s SER 53 CO 0.09 -0.29 0.89 1.21 0.98 0.00 0.00 173.24 176.13 2dwl n GLU 54 N 0.28 0.17 -4.12 4.02 4.07 -1.26 -4.57 120.64 119.22 2dwl n GLU 54 Ca -0.14 0.06 -0.14 0.00 -0.06 0.00 0.00 57.16 56.88 2dwl n GLU 54 Cb 0.59 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.35 2dwl n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dwl s LEU 55 N -2.15 2.31 0.48 4.31 1.43 -1.26 -5.12 118.68 118.68 2dwl s LEU 55 Ca 0.08 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.29 2dwl s LEU 55 Cb 0.04 -0.28 -0.07 0.00 0.03 0.00 0.00 46.19 45.92 2dwl s LEU 55 CO 0.08 -0.20 1.36 -2.84 0.23 0.00 0.00 176.35 174.97 2dwl s PRO 56 N -2.06 3.51 0.00 1.29 0.02 -1.26 -4.80 135.00 131.69 2dwl s PRO 56 Ca -0.03 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2dwl s PRO 56 Cb -0.07 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2dwl s PRO 56 CO 0.00 -0.90 0.05 1.47 -0.33 0.00 0.00 177.00 177.29 2dwl n LEU 57 N -0.52 0.14 0.00 -5.54 -0.00 -1.26 -1.16 117.00 108.66 2dwl n LEU 57 Ca 0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2dwl n LEU 57 Cb 0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2dwl n LEU 57 CO 0.55 0.02 -0.04 -0.46 -0.00 0.00 0.00 177.39 177.46 2dwl n ASN 58 N 0.84 0.38 -0.07 1.45 2.04 -1.26 -4.75 115.26 113.89 2dwl n ASN 58 Ca 0.00 -0.01 0.14 0.00 -0.44 0.00 0.00 54.58 54.27 2dwl n ASN 58 Cb 0.02 0.10 0.58 0.00 -2.53 0.00 0.00 39.78 37.95 2dwl n ASN 58 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2dwl n GLU 59 N -0.14 0.47 -3.68 -3.83 2.13 -0.31 -4.84 120.64 110.44 2dwl n GLU 59 Ca 0.00 -0.15 -0.32 0.00 0.66 0.00 0.00 57.16 57.35 2dwl n GLU 59 Cb 0.00 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.17 2dwl n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dwl s LEU 60 N -2.63 4.29 0.85 4.31 1.43 -1.24 -5.02 118.68 120.65 2dwl s LEU 60 Ca 0.24 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 2dwl s LEU 60 Cb 0.20 -3.21 0.10 0.00 0.03 0.00 0.00 46.19 43.31 2dwl s LEU 60 CO 0.51 0.09 1.18 -0.54 0.23 0.00 0.00 176.35 177.81 2dwl s LYS 61 N -2.51 1.67 0.08 1.70 -0.14 -1.26 -4.67 119.74 114.60 2dwl s LYS 61 Ca 0.39 0.12 0.03 0.00 -1.36 0.00 0.00 55.97 55.15 2dwl s LYS 61 Cb -0.12 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2dwl s LYS 61 CO 0.24 -1.81 0.06 0.00 -0.76 0.00 0.00 175.35 173.08 2dwl s ALA 62 N -3.52 3.51 0.44 5.17 0.00 -1.26 0.20 121.76 126.30 2dwl s ALA 62 Ca 0.63 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 2dwl s ALA 62 Cb -0.12 -1.39 -0.08 0.00 0.00 0.00 0.00 23.12 21.54 2dwl s ALA 62 CO 0.50 0.74 1.33 0.08 0.00 0.00 0.00 175.76 178.41 2dwl s VAL 63 N -1.36 2.46 -0.22 0.00 1.01 0.58 -4.54 120.40 118.34 2dwl s VAL 63 Ca 0.28 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2dwl s VAL 63 Cb -0.12 -3.22 -0.19 0.00 0.00 0.00 0.00 36.38 32.84 2dwl s VAL 63 CO 0.21 0.04 -0.04 0.52 0.00 0.00 0.00 175.10 175.83 2dwl n VAL 64 N -0.19 1.58 -3.64 2.92 0.31 -0.63 -4.74 118.33 113.95 2dwl n VAL 64 Ca 0.05 -0.56 -0.08 0.00 -0.01 0.00 0.00 64.34 63.75 2dwl n VAL 64 Cb 0.44 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 31.71 2dwl n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2dwl s GLU 65 N -2.52 0.70 -0.11 5.55 2.12 -1.19 -4.98 118.70 118.26 2dwl s GLU 65 Ca -0.31 1.09 -0.21 0.00 0.36 0.00 0.00 54.97 55.89 2dwl s GLU 65 Cb 0.09 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2dwl s GLU 65 CO 0.64 -0.13 0.62 0.54 -0.54 0.00 0.00 175.26 176.39 2dwl s VAL 66 N 1.25 5.08 -1.88 3.70 0.11 -1.26 -0.38 120.40 127.01 2dwl s VAL 66 Ca -0.07 1.24 0.16 0.00 -2.93 0.00 0.00 61.98 60.39 2dwl s VAL 66 Cb -0.05 -3.95 0.22 0.00 -1.53 0.00 0.00 36.38 31.07 2dwl s VAL 66 CO -0.14 0.24 1.12 0.18 -3.33 0.00 0.00 175.10 173.17 2dwl n LEU 67 N 4.07 2.65 -3.67 2.54 4.77 -0.91 -4.91 117.00 121.53 2dwl n LEU 67 Ca -0.03 -1.27 -0.15 0.00 -0.03 0.00 0.00 56.01 54.54 2dwl n LEU 67 Cb 0.51 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2dwl n LEU 67 CO 0.45 0.54 -0.18 -1.81 -1.33 0.00 0.00 177.39 175.06 2dwl s ASP 68 N -1.28 0.44 0.00 -1.43 1.01 -1.25 -4.91 116.67 109.25 2dwl s ASP 68 Ca 0.23 0.46 0.25 0.00 0.71 0.00 0.00 52.55 54.21 2dwl s ASP 68 Cb 0.15 0.47 0.59 0.00 1.01 0.00 0.00 42.92 45.14 2dwl s ASP 68 CO 0.21 -0.23 1.47 -1.20 0.21 0.00 0.00 175.17 175.64 2dwl n SER 69 N 5.18 0.57 -4.24 0.27 7.64 -1.26 -4.74 113.62 117.04 2dwl n SER 69 Ca -0.08 -0.33 -0.27 0.00 1.01 0.00 0.00 58.87 59.19 2dwl n SER 69 Cb 0.50 0.19 -0.15 0.00 -1.01 0.00 0.00 64.21 63.74 2dwl n SER 69 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dwl s GLU 70 N -2.90 1.70 0.15 1.43 -1.05 -1.26 -4.89 118.70 111.87 2dwl s GLU 70 Ca 0.14 -0.79 -0.31 0.00 -0.15 0.00 0.00 54.97 53.85 2dwl s GLU 70 Cb 0.18 -1.66 -0.10 0.00 -0.44 0.00 0.00 34.13 32.11 2dwl s GLU 70 CO 0.66 0.45 1.55 -1.25 0.95 0.00 0.00 175.26 177.62 2dwl s PRO 71 N -0.59 4.23 0.00 -4.83 0.04 -1.26 -4.77 135.00 127.82 2dwl s PRO 71 Ca 0.08 2.32 0.16 0.00 0.04 0.00 0.00 61.00 63.60 2dwl s PRO 71 Cb -0.08 -3.21 0.85 0.00 0.04 0.00 0.00 34.50 32.10 2dwl s PRO 71 CO -0.00 -0.60 1.44 1.55 0.04 0.00 0.00 177.00 179.43 2dwl n VAL 72 N 4.04 0.42 -4.68 -0.36 3.14 -0.71 -4.68 118.33 115.49 2dwl n VAL 72 Ca 0.14 0.10 -0.28 0.00 -2.96 0.00 0.00 64.34 61.34 2dwl n VAL 72 Cb 0.39 -0.84 -0.14 0.00 -1.06 0.00 0.00 33.84 32.19 2dwl n VAL 72 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2dwl s PHE 73 N -2.44 2.17 0.75 1.45 0.40 -1.26 -5.12 117.98 113.93 2dwl s PHE 73 Ca 0.17 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 2dwl s PHE 73 Cb 0.11 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.43 2dwl s PHE 73 CO 0.23 0.18 1.21 0.99 0.70 0.00 0.00 175.22 178.52 2dwl s THR 74 N -0.89 2.24 0.45 0.64 2.01 -1.26 -4.78 115.64 114.04 2dwl s THR 74 Ca 0.11 0.11 0.11 0.00 0.31 0.00 0.00 61.69 62.34 2dwl s THR 74 Cb -0.10 -2.64 0.24 0.00 0.01 0.00 0.00 72.50 70.02 2dwl s THR 74 CO 0.03 -0.07 2.06 -0.74 -0.69 0.00 0.00 174.62 175.21 2dwl h HIS 75 N -0.49 0.24 0.04 4.92 2.76 -1.99 -0.90 115.15 119.72 2dwl h HIS 75 Ca -0.47 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2dwl h HIS 75 Cb 1.29 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.18 2dwl h HIS 75 CO 0.47 0.21 -0.02 0.66 -1.30 0.00 0.00 177.93 177.95 2dwl h SER 76 N 0.25 -0.04 -1.02 3.26 4.64 -2.00 -3.09 113.55 115.55 2dwl h SER 76 Ca 0.07 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.68 2dwl h SER 76 Cb 0.07 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.04 2dwl h SER 76 CO -0.01 0.39 0.61 0.58 -0.87 0.00 0.00 176.83 177.53 2dwl h VAL 77 N -0.90 0.40 0.92 0.95 2.07 -1.91 0.17 116.25 117.95 2dwl h VAL 77 Ca -0.01 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2dwl h VAL 77 Cb 0.04 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 2dwl h VAL 77 CO 0.01 0.08 -0.44 -0.25 0.02 0.00 0.00 177.57 176.98 2dwl h TRP 78 N 0.41 -1.14 -0.98 1.57 2.91 -1.28 0.16 115.95 117.60 2dwl h TRP 78 Ca 0.69 -0.03 0.23 0.00 1.13 0.00 0.00 58.89 60.91 2dwl h TRP 78 Cb 1.54 0.38 -0.08 0.00 -0.51 0.00 0.00 29.16 30.49 2dwl h TRP 78 CO -0.01 -0.71 0.63 -0.09 -1.03 0.00 0.00 178.44 177.24 2dwl h ARG 79 N -1.25 0.43 0.37 2.65 2.43 -0.95 -1.17 114.38 116.90 2dwl h ARG 79 Ca -0.13 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 2dwl h ARG 79 Cb 0.95 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2dwl h ARG 79 CO 0.21 0.29 -0.18 1.25 -1.51 0.00 0.00 179.97 180.02 2dwl h LEU 80 N 0.44 -0.43 -0.67 3.80 7.12 -0.12 -2.83 115.31 122.63 2dwl h LEU 80 Ca 0.54 -0.14 0.08 0.00 0.13 0.00 0.00 57.88 58.49 2dwl h LEU 80 Cb 1.29 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 41.46 2dwl h LEU 80 CO -0.25 -0.04 0.32 -0.07 -0.13 0.00 0.00 178.44 178.27 2dwl h LEU 81 N -0.87 0.42 -1.52 2.25 3.38 0.21 0.12 115.31 119.30 2dwl h LEU 81 Ca -0.05 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2dwl h LEU 81 Cb 0.54 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2dwl h LEU 81 CO 0.08 0.25 0.42 -0.07 0.09 0.00 0.00 178.44 179.22 2dwl h LEU 82 N 0.57 0.50 0.06 1.67 3.38 -1.28 0.30 115.31 120.51 2dwl h LEU 82 Ca 0.32 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2dwl h LEU 82 Cb 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dwl h LEU 82 CO -0.25 0.32 -0.03 -0.25 0.09 0.00 0.00 178.44 178.32 2dwl h TRP 83 N 0.57 -0.07 -0.42 1.13 7.01 -0.90 -2.68 115.95 120.59 2dwl h TRP 83 Ca 0.28 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.36 2dwl h TRP 83 Cb 0.37 0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.36 2dwl h TRP 83 CO -0.00 0.50 -0.31 0.00 -2.79 0.00 0.00 178.44 175.84 2dwl h ALA 84 N 0.11 -0.12 -0.74 2.65 0.00 0.08 0.13 119.26 121.36 2dwl h ALA 84 Ca -0.01 0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.17 2dwl h ALA 84 Cb 0.61 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 2dwl h ALA 84 CO 0.01 -0.69 0.25 0.00 0.00 0.00 0.00 179.25 178.83 2dwl h ALA 85 N 0.85 1.02 0.04 0.00 0.00 -0.42 -2.11 119.26 118.64 2dwl h ALA 85 Ca 0.18 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dwl h ALA 85 Cb 0.53 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dwl h ALA 85 CO -0.55 -0.27 -0.02 0.22 0.00 0.00 0.00 179.25 178.64 2dwl h ASP 86 N 0.37 -0.04 -0.20 0.00 3.58 -0.76 0.14 116.42 119.51 2dwl h ASP 86 Ca 0.41 -0.64 0.02 0.00 0.42 0.00 0.00 57.03 57.24 2dwl h ASP 86 Cb 0.66 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2dwl h ASP 86 CO -0.44 0.67 0.08 0.22 -2.88 0.00 0.00 179.24 176.88 2dwl h TYR 87 N -0.79 0.14 -0.60 0.28 3.20 -0.72 -2.76 116.97 115.72 2dwl h TYR 87 Ca -0.00 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 2dwl h TYR 87 Cb 0.68 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 2dwl h TYR 87 CO 0.16 0.08 0.17 0.66 -1.64 0.00 0.00 178.16 177.59 2dwl n TYR 88 N -5.03 2.04 -3.91 -3.82 4.02 -0.80 -4.98 117.16 104.69 2dwl n TYR 88 Ca -0.03 -0.94 -0.36 0.00 -0.01 0.00 0.00 57.90 56.57 2dwl n TYR 88 Cb 0.07 -0.58 0.01 0.00 -0.02 0.00 0.00 39.34 38.82 2dwl n TYR 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2dwl n HIS 89 N 0.09 -1.73 -4.66 -0.72 8.25 -1.04 -5.00 115.22 110.41 2dwl n HIS 89 Ca 0.32 0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 57.91 2dwl n HIS 89 Cb 1.20 -2.86 -0.13 0.00 1.12 0.00 0.00 29.99 29.32 2dwl n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dwl s HIS 90 N -3.29 2.40 0.13 4.41 3.76 0.47 -5.03 115.29 118.14 2dwl s HIS 90 Ca 0.28 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.53 2dwl s HIS 90 Cb -0.15 -1.37 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 2dwl s HIS 90 CO 0.93 0.24 1.45 -2.14 -0.85 0.00 0.00 174.74 174.37 2dwl s PRO 91 N -1.59 4.28 0.26 8.40 0.02 -1.26 -4.52 135.00 140.59 2dwl s PRO 91 Ca 0.14 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 2dwl s PRO 91 Cb -0.10 -3.21 0.53 0.00 0.02 0.00 0.00 34.50 31.74 2dwl s PRO 91 CO 0.05 -0.49 1.74 0.97 -0.33 0.00 0.00 177.00 178.93 2dwl h ILE 92 N 4.16 0.66 -0.07 2.83 -0.00 -1.89 0.17 117.51 123.36 2dwl h ILE 92 Ca -0.42 -0.18 -0.05 0.00 -0.00 0.00 0.00 64.86 64.21 2dwl h ILE 92 Cb 1.21 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.12 2dwl h ILE 92 CO 0.88 0.09 -0.20 1.23 -0.00 0.00 0.00 178.15 180.15 2dwl h GLY 93 N 0.52 0.13 0.67 8.18 0.00 -1.90 -0.10 103.07 110.57 2dwl h GLY 93 Ca 0.46 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 2dwl h GLY 93 CO -0.41 0.08 -0.11 -1.80 0.00 0.00 0.00 176.54 174.30 2dwl h ASP 94 N 0.11 0.27 -0.11 0.19 -0.00 -1.09 -2.38 116.42 113.42 2dwl h ASP 94 Ca 0.02 -0.49 -0.02 0.00 -0.00 0.00 0.00 57.03 56.54 2dwl h ASP 94 Cb 0.43 -0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 39.68 2dwl h ASP 94 CO 0.03 0.71 0.01 0.58 -0.00 0.00 0.00 179.24 180.57 2dwl h VAL 95 N -0.16 1.24 -0.17 2.25 2.07 -0.90 -2.68 116.25 117.91 2dwl h VAL 95 Ca 0.02 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2dwl h VAL 95 Cb 0.64 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2dwl h VAL 95 CO 0.03 0.22 -0.08 -0.07 0.02 0.00 0.00 177.57 177.69 2dwl h LEU 96 N -0.07 -0.26 -1.09 2.57 3.38 -1.10 -1.62 115.31 117.13 2dwl h LEU 96 Ca 0.03 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2dwl h LEU 96 Cb 0.33 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2dwl h LEU 96 CO 0.00 -0.10 -0.33 -0.26 0.09 0.00 0.00 178.44 177.84 2dwl h PHE 97 N -0.06 0.00 0.08 1.13 -1.00 -1.43 -2.81 116.94 112.85 2dwl h PHE 97 Ca 0.09 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.60 2dwl h PHE 97 Cb 0.20 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 2dwl h PHE 97 CO -0.22 0.33 -1.35 0.45 -1.61 0.00 0.00 178.31 175.90 2dwl h HIS 98 N 0.00 0.30 -0.16 -0.55 3.86 -1.31 -3.36 115.15 113.94 2dwl h HIS 98 Ca -0.00 -0.22 -0.14 0.00 -1.16 0.00 0.00 60.37 58.85 2dwl h HIS 98 Cb 0.80 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 2dwl h HIS 98 CO 0.00 1.22 -0.50 0.00 0.86 0.00 0.00 177.93 179.50 2dwl h ALA 99 N 0.70 0.84 -0.23 2.45 0.00 -1.27 -3.32 119.26 118.42 2dwl h ALA 99 Ca -0.16 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.32 2dwl h ALA 99 Cb 1.94 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 2dwl h ALA 99 CO 0.15 0.67 -0.37 1.25 0.00 0.00 0.00 179.25 180.96 2dwl h LEU 100 N 0.33 -1.17 0.27 0.00 5.85 -1.64 -0.76 115.31 118.20 2dwl h LEU 100 Ca 0.01 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2dwl h LEU 100 Cb 1.00 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2dwl h LEU 100 CO 0.09 -0.37 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.04 2dwl h PRO 101 N -0.38 -0.35 -0.78 5.25 0.11 -1.77 -2.68 132.00 131.40 2dwl h PRO 101 Ca 0.11 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.42 2dwl h PRO 101 Cb 0.57 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.71 2dwl h PRO 101 CO -0.44 -0.23 0.53 0.82 -0.21 0.00 0.00 178.00 178.47 2dwl h ILE 102 N -0.37 0.73 0.00 4.15 5.03 -1.62 0.23 117.51 125.67 2dwl h ILE 102 Ca -0.04 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 2dwl h ILE 102 Cb 0.28 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 34.45 2dwl h ILE 102 CO 0.06 0.06 0.00 -0.07 -0.68 0.00 0.00 178.15 177.52 2dwl h LEU 103 N 0.33 0.00 -1.08 1.44 3.38 -0.80 -3.52 115.31 115.05 2dwl h LEU 103 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2dwl h LEU 103 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2dwl h LEU 103 CO -0.11 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.60