#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npb n ALA 2 N 0.00 -3.08 -3.71 -5.12 0.00 -1.25 -4.97 120.51 102.38 2npb n ALA 2 Ca 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.56 2npb n ALA 2 Cb 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 19.45 18.29 2npb n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2npb s LEU 3 N -4.81 0.46 -0.55 0.00 2.96 -1.12 -4.87 118.68 110.75 2npb s LEU 3 Ca 0.00 0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.84 2npb s LEU 3 Cb 0.00 0.08 0.04 0.00 0.50 0.00 0.00 46.19 46.81 2npb s LEU 3 CO 0.00 -0.20 0.93 0.00 -1.32 0.00 0.00 176.35 175.76 2npb s ALA 4 N 1.70 3.17 0.07 5.97 0.00 -1.26 -0.68 121.76 130.73 2npb s ALA 4 Ca -0.02 -1.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.48 2npb s ALA 4 Cb -0.12 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 2npb s ALA 4 CO -0.04 -2.37 0.57 0.08 0.00 0.00 0.00 175.76 173.99 2npb s VAL 5 N 3.90 4.75 0.24 0.00 1.01 0.64 -0.94 120.40 129.99 2npb s VAL 5 Ca 0.30 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.57 2npb s VAL 5 Cb -0.13 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2npb s VAL 5 CO 0.19 0.56 -0.14 -0.13 0.00 0.00 0.00 175.10 175.57 2npb s ARG 6 N -1.10 1.45 -0.29 2.72 3.00 0.32 -0.71 118.95 124.35 2npb s ARG 6 Ca 0.29 -1.67 -0.02 0.00 0.00 0.00 0.00 55.73 54.33 2npb s ARG 6 Cb -0.19 -1.28 0.09 0.00 0.00 0.00 0.00 34.95 33.56 2npb s ARG 6 CO 0.19 0.19 0.09 0.08 0.00 0.00 0.00 175.30 175.85 2npb s VAL 7 N -2.87 0.69 -0.06 3.52 1.01 -0.83 -1.28 120.40 120.58 2npb s VAL 7 Ca 0.25 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2npb s VAL 7 Cb -0.01 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2npb s VAL 7 CO 0.10 -0.60 1.42 -0.69 0.00 0.00 0.00 175.10 175.33 2npb s VAL 8 N 1.73 3.86 0.03 2.92 1.01 -0.17 -0.69 120.40 129.09 2npb s VAL 8 Ca 0.08 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 2npb s VAL 8 Cb -0.17 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2npb s VAL 8 CO -0.24 -0.05 0.04 -0.47 0.00 0.00 0.00 175.10 174.38 2npb s TYR 9 N 3.11 0.28 -0.34 5.22 5.04 0.03 -1.10 117.35 129.58 2npb s TYR 9 Ca 0.63 -0.62 -0.29 0.00 -2.44 0.00 0.00 57.07 54.36 2npb s TYR 9 Cb -0.29 -0.20 -0.01 0.00 0.35 0.00 0.00 41.96 41.81 2npb s TYR 9 CO 0.24 -0.32 1.67 0.45 -1.34 0.00 0.00 175.55 176.24 2npb s SER 10 N -2.10 6.08 0.00 4.32 0.15 -1.22 -2.15 113.70 118.77 2npb s SER 10 Ca -0.06 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2npb s SER 10 Cb -0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2npb s SER 10 CO -0.05 -1.57 0.13 0.61 1.20 0.00 0.00 173.24 173.56 2npb n GLY 11 N 5.24 0.31 1.85 9.45 0.00 -0.26 -4.69 105.19 117.08 2npb n GLY 11 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2npb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb n ALA 12 N 0.65 2.39 -1.22 4.61 0.00 -1.26 -4.92 120.51 120.76 2npb n ALA 12 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.56 2npb n ALA 12 Cb 0.07 -1.68 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 2npb n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2npb n GLY 14 N -3.22 0.63 0.35 0.00 0.00 -1.26 -4.78 105.19 96.91 2npb n GLY 14 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2npb n GLY 14 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2npb h TYR 15 N 0.00 1.17 -0.10 1.61 -0.00 -1.93 -3.35 116.97 114.36 2npb h TYR 15 Ca 0.00 -0.06 0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2npb h TYR 15 Cb 0.00 -0.36 -0.06 0.00 -0.00 0.00 0.00 36.73 36.30 2npb h TYR 15 CO 0.00 0.85 -0.54 0.87 -0.00 0.00 0.00 178.16 179.35 2npb h LYS 16 N 1.16 -0.58 0.00 0.10 1.57 -1.99 0.23 116.57 117.05 2npb h LYS 16 Ca 0.28 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 2npb h LYS 16 Cb 0.12 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2npb h LYS 16 CO -0.03 -0.39 -0.39 -1.00 -0.57 0.00 0.00 179.45 177.07 2npb h PRO 17 N -0.60 0.00 -0.35 3.15 0.13 -1.99 -1.26 132.00 131.08 2npb h PRO 17 Ca 0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2npb h PRO 17 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2npb h PRO 17 CO -0.42 0.39 0.09 0.87 -0.23 0.00 0.00 178.00 178.70 2npb h LYS 18 N 0.00 0.56 0.49 0.86 1.57 -1.48 -1.00 116.57 117.57 2npb h LYS 18 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2npb h LYS 18 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2npb h LYS 18 CO 0.05 0.60 -0.48 1.88 -0.57 0.00 0.00 179.45 180.93 2npb h TYR 19 N 0.41 -1.33 -0.83 -1.35 -1.99 -0.45 -3.09 116.97 108.34 2npb h TYR 19 Ca 0.11 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.97 2npb h TYR 19 Cb 0.29 0.52 -0.08 0.00 2.00 0.00 0.00 36.73 39.46 2npb h TYR 19 CO 0.01 -0.65 0.45 -0.07 -0.00 0.00 0.00 178.16 177.90 2npb h LEU 20 N -0.98 0.59 -0.89 3.88 3.38 -1.16 0.19 115.31 120.32 2npb h LEU 20 Ca -0.06 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2npb h LEU 20 Cb 0.85 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2npb h LEU 20 CO -0.06 0.30 0.58 -0.61 0.09 0.00 0.00 178.44 178.74 2npb h GLN 21 N 0.70 1.10 -0.04 1.13 -0.00 -1.13 0.37 115.11 117.24 2npb h GLN 21 Ca 0.43 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 59.00 2npb h GLN 21 Cb 0.50 -0.25 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 2npb h GLN 21 CO -0.30 0.73 -0.03 1.25 0.00 0.00 0.00 178.83 180.48 2npb h LEU 22 N 1.14 0.09 0.16 -2.39 5.85 -1.36 -3.29 115.31 115.49 2npb h LEU 22 Ca 0.35 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2npb h LEU 22 Cb -0.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2npb h LEU 22 CO -0.11 0.52 -0.07 0.50 -0.34 0.00 0.00 178.44 178.94 2npb h LYS 23 N -0.34 -0.20 -0.92 1.25 3.11 0.28 -2.13 116.57 117.62 2npb h LYS 23 Ca 0.01 0.01 0.21 0.00 -2.81 0.00 0.00 60.65 58.07 2npb h LYS 23 Cb 0.49 0.05 -0.17 0.00 -1.00 0.00 0.00 32.23 31.60 2npb h LYS 23 CO 0.01 0.00 -0.11 1.49 -2.81 0.00 0.00 179.45 178.03 2npb h GLU 24 N -0.38 0.02 -0.30 1.90 4.22 -0.50 0.14 114.58 119.68 2npb h GLU 24 Ca -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 2npb h GLU 24 Cb 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2npb h GLU 24 CO 0.04 0.01 0.11 -0.22 -2.18 0.00 0.00 179.01 176.77 2npb h LYS 25 N 0.02 0.46 0.89 1.92 1.63 -1.47 0.20 116.57 120.21 2npb h LYS 25 Ca 0.49 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 60.16 2npb h LYS 25 Cb 0.86 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2npb h LYS 25 CO -0.90 0.49 -0.43 -0.07 -3.45 0.00 0.00 179.45 175.09 2npb h LEU 26 N 0.34 -1.01 -1.94 5.20 4.07 -0.90 -1.57 115.31 119.50 2npb h LEU 26 Ca 0.10 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2npb h LEU 26 Cb 0.21 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 2npb h LEU 26 CO -0.01 -0.67 -0.11 -0.33 -1.08 0.00 0.00 178.44 176.25 2npb h GLU 27 N -1.30 0.00 -0.33 1.13 5.08 -1.03 0.72 114.58 118.84 2npb h GLU 27 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2npb h GLU 27 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2npb h GLU 27 CO 0.20 0.11 0.16 1.25 -1.00 0.00 0.00 179.01 179.73 2npb h HIS 28 N 0.00 0.48 -0.22 4.33 2.76 -0.58 -2.28 115.15 119.64 2npb h HIS 28 Ca -0.00 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.96 2npb h HIS 28 Cb 0.25 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2npb h HIS 28 CO 0.00 0.43 -0.60 0.93 -1.30 0.00 0.00 177.93 177.39 2npb h GLU 29 N 0.40 0.73 -1.65 5.26 4.39 -0.14 -3.40 114.58 120.17 2npb h GLU 29 Ca 0.11 -0.49 -0.45 0.00 0.34 0.00 0.00 59.36 58.88 2npb h GLU 29 Cb 0.13 0.07 -0.36 0.00 -0.10 0.00 0.00 28.75 28.49 2npb h GLU 29 CO -0.01 1.11 -1.06 1.97 -1.16 0.00 0.00 179.01 179.86 2npb n PHE 30 N -3.97 -0.42 -2.06 4.33 1.16 0.12 -5.09 117.46 111.53 2npb n PHE 30 Ca -0.04 -3.49 -0.41 0.00 -1.87 0.00 0.00 57.45 51.63 2npb n PHE 30 Cb 0.65 -0.06 -0.02 0.00 -1.61 0.00 0.00 39.48 38.44 2npb n PHE 30 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2npb s PRO 31 N -1.83 4.30 0.00 3.97 0.04 -0.86 -3.01 135.00 137.62 2npb s PRO 31 Ca 0.37 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2npb s PRO 31 Cb 0.32 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2npb s PRO 31 CO -0.08 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2npb n GLY 32 N 2.05 1.00 0.33 0.56 0.00 -1.26 -4.58 105.19 103.29 2npb n GLY 32 Ca 0.06 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.29 2npb n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb s LEU 34 N -6.45 0.29 0.09 0.00 1.02 -1.16 -2.80 118.68 109.67 2npb s LEU 34 Ca -0.05 -0.69 0.05 0.00 0.02 0.00 0.00 54.13 53.46 2npb s LEU 34 Cb 0.13 1.90 -0.03 0.00 0.02 0.00 0.00 46.19 48.21 2npb s LEU 34 CO 0.44 -1.07 -0.12 -0.62 0.02 0.00 0.00 176.35 175.00 2npb s ASP 35 N -2.94 1.65 -0.17 2.29 2.15 0.15 -4.75 116.67 115.05 2npb s ASP 35 Ca 0.15 -0.74 -0.03 0.00 0.43 0.00 0.00 52.55 52.35 2npb s ASP 35 Cb -0.00 -0.03 0.06 0.00 -0.30 0.00 0.00 42.92 42.64 2npb s ASP 35 CO 0.02 -0.17 0.05 -0.63 -0.17 0.00 0.00 175.17 174.27 2npb s ILE 36 N -1.96 0.26 0.51 4.11 1.09 -1.26 -0.26 121.20 123.69 2npb s ILE 36 Ca 0.03 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.35 2npb s ILE 36 Cb -0.06 -0.78 0.09 0.00 -1.06 0.00 0.00 42.46 40.65 2npb s ILE 36 CO 0.02 -0.17 0.70 0.00 -0.10 0.00 0.00 174.94 175.38 2npb s GLY 38 N -4.28 2.26 -0.32 0.00 0.00 -1.26 -1.97 107.32 101.75 2npb s GLY 38 Ca 0.52 -1.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.36 2npb s GLY 38 CO 0.33 -1.87 0.16 1.85 0.00 0.00 0.00 173.10 173.57 2npb s GLU 39 N -3.85 0.40 -1.24 2.90 2.56 0.13 -4.68 118.70 114.93 2npb s GLU 39 Ca 0.33 -0.91 -0.05 0.00 0.00 0.00 0.00 54.97 54.34 2npb s GLU 39 Cb 0.07 -1.33 0.18 0.00 2.00 0.00 0.00 34.13 35.06 2npb s GLU 39 CO 0.15 -1.09 2.13 0.41 -0.56 0.00 0.00 175.26 176.30 2npb n GLY 40 N 4.74 5.33 3.49 -1.50 0.00 -1.26 -0.79 105.19 115.20 2npb n GLY 40 Ca 0.01 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 2npb n GLY 40 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2npb n THR 41 N 1.60 2.10 -0.19 2.61 5.66 -0.92 -4.15 114.28 120.98 2npb n THR 41 Ca 0.53 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2npb n THR 41 Cb 0.27 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 2npb n THR 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2npb n PRO 42 N 0.25 1.96 -0.78 1.09 -0.04 -1.26 -1.11 135.00 135.11 2npb n PRO 42 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 2npb n PRO 42 Cb 0.43 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.01 2npb n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2npb n GLN 43 N 0.00 -1.04 0.00 0.54 10.64 -1.26 -3.55 117.38 122.71 2npb n GLN 43 Ca 0.00 -0.29 0.00 0.00 -1.83 0.00 0.00 57.00 54.88 2npb n GLN 43 Cb 0.00 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 2npb n GLN 43 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2npb n VAL 44 N -4.05 0.00 -2.32 -0.39 0.31 -1.26 -4.93 118.33 105.69 2npb n VAL 44 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.00 2npb n VAL 44 Cb 0.65 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.56 2npb n VAL 44 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2npb s THR 45 N 0.00 3.68 -0.36 2.52 -4.23 -1.23 -5.01 115.64 111.00 2npb s THR 45 Ca 0.00 0.96 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 2npb s THR 45 Cb 0.00 -3.39 0.25 0.00 1.34 0.00 0.00 72.50 70.70 2npb s THR 45 CO 0.00 -0.31 1.23 0.61 -0.54 0.00 0.00 174.62 175.61 2npb n GLY 46 N -0.42 -0.27 3.35 3.99 0.00 -1.26 -4.74 105.19 105.83 2npb n GLY 46 Ca 0.09 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 2npb n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2npb s PHE 47 N 0.11 0.11 -0.33 1.61 -0.12 -1.26 -4.87 117.98 113.24 2npb s PHE 47 Ca 0.16 -0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2npb s PHE 47 Cb 0.24 0.10 0.11 0.00 -0.63 0.00 0.00 43.02 42.85 2npb s PHE 47 CO -0.09 -0.72 0.14 0.12 -0.05 0.00 0.00 175.22 174.61 2npb s PHE 48 N -3.89 1.25 -0.15 3.49 2.19 -1.25 -3.42 117.98 116.19 2npb s PHE 48 Ca 0.10 -1.58 -0.00 0.00 0.33 0.00 0.00 56.93 55.78 2npb s PHE 48 Cb 0.02 -1.42 0.04 0.00 -1.31 0.00 0.00 43.02 40.35 2npb s PHE 48 CO -0.05 -0.85 -0.06 -1.21 1.83 0.00 0.00 175.22 174.88 2npb s GLU 49 N 1.53 1.50 -0.26 10.12 0.41 -0.26 -1.12 118.70 130.62 2npb s GLU 49 Ca 0.12 -0.45 -0.06 0.00 -0.41 0.00 0.00 54.97 54.17 2npb s GLU 49 Cb -0.18 -1.90 -0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2npb s GLU 49 CO -0.22 -0.38 0.04 0.08 -0.49 0.00 0.00 175.26 174.29 2npb s VAL 50 N 1.65 3.82 -0.04 2.63 1.01 -0.55 -1.00 120.40 127.92 2npb s VAL 50 Ca 0.02 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2npb s VAL 50 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2npb s VAL 50 CO -0.08 0.24 -0.14 -0.89 0.00 0.00 0.00 175.10 174.23 2npb s THR 51 N 1.51 1.18 -0.17 3.92 2.01 -0.40 -0.86 115.64 122.83 2npb s THR 51 Ca 0.04 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2npb s THR 51 Cb -0.16 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.33 2npb s THR 51 CO 0.01 0.35 -0.19 0.54 -0.69 0.00 0.00 174.62 174.64 2npb s VAL 52 N 0.25 2.20 -1.17 3.82 0.11 0.15 -0.52 120.40 125.24 2npb s VAL 52 Ca -0.07 -0.91 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 2npb s VAL 52 Cb -0.12 -1.92 0.12 0.00 -1.53 0.00 0.00 36.38 32.94 2npb s VAL 52 CO 0.02 0.53 0.40 0.00 -3.33 0.00 0.00 175.10 172.72 2npb n ALA 53 N 4.41 -1.11 -2.56 1.54 0.00 -0.11 -0.56 120.51 122.11 2npb n ALA 53 Ca -0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.13 2npb n ALA 53 Cb 0.51 -2.02 0.01 0.00 0.00 0.00 0.00 19.45 17.95 2npb n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npb n GLY 54 N -0.93 0.58 2.71 0.00 0.00 -1.26 -5.07 105.19 101.23 2npb n GLY 54 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2npb n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npb s LYS 55 N -5.00 0.54 0.20 1.61 -0.14 0.27 -5.14 119.74 112.08 2npb s LYS 55 Ca 0.08 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 54.07 2npb s LYS 55 Cb -0.04 -1.98 -0.08 0.00 -1.68 0.00 0.00 37.83 34.05 2npb s LYS 55 CO 0.10 -0.62 1.14 -1.17 -0.76 0.00 0.00 175.35 174.04 2npb s LEU 56 N 1.92 4.48 0.00 3.17 0.20 -1.26 -0.67 118.68 126.52 2npb s LEU 56 Ca -0.00 2.18 0.00 0.00 0.69 0.00 0.00 54.13 57.00 2npb s LEU 56 Cb -0.17 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.99 2npb s LEU 56 CO -0.08 -0.27 0.00 0.52 -0.29 0.00 0.00 176.35 176.23 2npb n VAL 57 N 2.19 0.00 -3.76 1.68 0.31 -0.04 -4.97 118.33 113.74 2npb n VAL 57 Ca 0.03 -0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2npb n VAL 57 Cb 0.45 0.68 -0.08 0.00 -0.91 0.00 0.00 33.84 33.98 2npb n VAL 57 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2npb s HIS 58 N -1.29 -0.11 -0.30 3.52 5.65 -1.16 -4.97 115.29 116.64 2npb s HIS 58 Ca 0.00 0.03 -0.04 0.00 0.25 0.00 0.00 55.06 55.30 2npb s HIS 58 Cb 0.00 0.09 0.18 0.00 -1.18 0.00 0.00 32.58 31.67 2npb s HIS 58 CO 0.00 -0.47 0.67 0.45 -0.65 0.00 0.00 174.74 174.74 2npb s SER 59 N -1.85 -1.23 0.44 9.88 0.15 -1.25 -1.47 113.70 118.37 2npb s SER 59 Ca -0.07 0.91 0.15 0.00 0.70 0.00 0.00 55.95 57.64 2npb s SER 59 Cb -0.02 2.09 1.01 0.00 -1.71 0.00 0.00 66.02 67.38 2npb s SER 59 CO -0.01 -0.23 1.98 0.11 1.20 0.00 0.00 173.24 176.29 2npb h LYS 60 N 7.98 0.00 -0.41 5.44 1.79 -1.50 0.02 116.57 129.90 2npb h LYS 60 Ca -0.21 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.29 2npb h LYS 60 Cb 1.15 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 2npb h LYS 60 CO 0.19 0.20 0.20 -0.22 -1.08 0.00 0.00 179.45 178.74 2npb h LYS 61 N 0.00 0.39 0.00 3.15 3.64 -1.90 -2.83 116.57 119.02 2npb h LYS 61 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2npb h LYS 61 Cb 0.36 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2npb h LYS 61 CO 0.03 0.26 0.00 0.07 -2.27 0.00 0.00 179.45 177.53 2npb h ARG 62 N 0.40 0.00 0.00 1.90 -0.00 -1.96 -3.48 114.38 111.24 2npb h ARG 62 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.16 2npb h ARG 62 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.07 2npb h ARG 62 CO -0.13 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.25 2npb n GLY 63 N 0.83 1.39 0.37 0.08 0.00 -1.07 -5.02 105.19 101.77 2npb n GLY 63 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2npb n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2npb h ASP 64 N 0.00 1.06 -3.88 1.61 3.58 -1.23 -3.49 116.42 114.07 2npb h ASP 64 Ca 0.00 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.46 2npb h ASP 64 Cb 0.00 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 2npb h ASP 64 CO 0.00 0.75 -0.70 0.61 -2.88 0.00 0.00 179.24 177.02 2npb n GLY 65 N -1.39 -3.62 2.69 -0.78 0.00 -1.26 -5.00 105.19 95.85 2npb n GLY 65 Ca 0.12 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2npb n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2npb n TYR 66 N -2.44 -3.55 -2.24 1.61 4.01 -1.26 -4.79 117.16 108.51 2npb n TYR 66 Ca -0.01 -0.70 -0.43 0.00 -0.16 0.00 0.00 57.90 56.60 2npb n TYR 66 Cb 0.35 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 2npb n TYR 66 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2npb n VAL 67 N -5.24 3.80 0.29 -0.72 0.24 -1.26 -4.67 118.33 110.76 2npb n VAL 67 Ca 0.12 -3.73 0.17 0.00 -2.04 0.00 0.00 64.34 58.86 2npb n VAL 67 Cb 0.50 -2.47 0.85 0.00 -1.47 0.00 0.00 33.84 31.25 2npb n VAL 67 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2npb h ASP 68 N 6.74 0.00 -5.13 -1.34 3.32 -1.95 -3.44 116.42 114.62 2npb h ASP 68 Ca 0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.41 2npb h ASP 68 Cb 0.76 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.14 2npb h ASP 68 CO 1.63 0.05 -0.61 0.42 -1.72 0.00 0.00 179.24 179.01 2npb s THR 69 N -3.97 0.16 0.20 0.35 -4.23 -1.26 -5.02 115.64 101.88 2npb s THR 69 Ca -0.02 -1.35 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 2npb s THR 69 Cb 0.11 -1.05 0.18 0.00 1.34 0.00 0.00 72.50 73.08 2npb s THR 69 CO 0.52 -0.74 1.60 -0.08 -0.54 0.00 0.00 174.62 175.38 2npb h GLU 70 N 3.58 -0.10 -0.95 3.99 4.22 -2.00 -0.31 114.58 123.02 2npb h GLU 70 Ca -0.33 0.01 0.26 0.00 0.08 0.00 0.00 59.36 59.38 2npb h GLU 70 Cb 1.17 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 2npb h GLU 70 CO 0.55 -0.06 0.09 1.03 -2.18 0.00 0.00 179.01 178.44 2npb h SER 71 N -0.10 -0.34 1.01 1.04 0.87 -1.96 0.20 113.55 114.27 2npb h SER 71 Ca 0.27 0.26 -0.14 0.00 -1.23 0.00 0.00 61.79 60.95 2npb h SER 71 Cb 0.53 0.42 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2npb h SER 71 CO -0.68 -0.31 -0.65 0.50 -0.53 0.00 0.00 176.83 175.16 2npb h LYS 72 N 0.05 0.00 0.47 2.24 3.64 -1.45 0.14 116.57 121.66 2npb h LYS 72 Ca 0.59 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.94 2npb h LYS 72 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2npb h LYS 72 CO -0.84 0.65 -0.23 0.35 -2.27 0.00 0.00 179.45 177.11 2npb h PHE 73 N 0.00 -0.58 0.00 1.91 3.57 -0.73 -3.36 116.94 117.75 2npb h PHE 73 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2npb h PHE 73 Cb 1.33 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 2npb h PHE 73 CO 0.00 -0.27 -0.02 0.00 -2.23 0.00 0.00 178.31 175.79 2npb h ARG 74 N -1.04 0.00 0.00 1.11 3.08 -0.56 -1.21 114.38 115.76 2npb h ARG 74 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2npb h ARG 74 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2npb h ARG 74 CO 0.11 0.02 -0.14 1.57 -1.07 0.00 0.00 179.97 180.45 2npb h LYS 75 N 0.00 0.00 0.00 0.04 5.09 -0.86 0.13 116.57 120.97 2npb h LYS 75 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.55 2npb h LYS 75 Cb 0.25 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.55 2npb h LYS 75 CO 0.00 0.14 -1.17 -0.11 -2.09 0.00 0.00 179.45 176.22 2npb n LEU 76 N -3.46 1.85 -0.22 7.07 0.00 -0.52 -3.51 117.00 118.23 2npb n LEU 76 Ca -0.01 0.46 -0.04 0.00 0.00 0.00 0.00 56.01 56.42 2npb n LEU 76 Cb 0.31 -0.94 0.06 0.00 0.00 0.00 0.00 43.42 42.85 2npb n LEU 76 CO 0.30 0.13 1.11 0.58 0.00 0.00 0.00 177.39 179.52 2npb h VAL 77 N -1.00 1.08 -0.39 1.96 2.07 -1.35 -1.62 116.25 117.00 2npb h VAL 77 Ca -0.29 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2npb h VAL 77 Cb 1.16 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2npb h VAL 77 CO -0.18 0.14 -0.08 0.74 0.02 0.00 0.00 177.57 178.21 2npb h THR 78 N 0.76 1.24 -0.14 2.57 2.02 -0.96 -1.06 112.91 117.34 2npb h THR 78 Ca 0.25 -1.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 2npb h THR 78 Cb 0.01 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2npb h THR 78 CO -0.10 0.36 -0.43 0.00 0.37 0.00 0.00 175.52 175.72 2npb h ALA 79 N 1.30 1.02 -0.07 6.16 0.00 -1.37 -0.16 119.26 126.15 2npb h ALA 79 Ca 0.11 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2npb h ALA 79 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2npb h ALA 79 CO 0.03 0.62 -0.74 0.82 0.00 0.00 0.00 179.25 179.97 2npb h ILE 80 N 0.26 1.39 -0.23 0.00 1.08 -1.02 -2.42 117.51 116.57 2npb h ILE 80 Ca 0.02 -2.18 -0.15 0.00 -0.39 0.00 0.00 64.86 62.16 2npb h ILE 80 Cb 0.86 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.75 2npb h ILE 80 CO 0.07 0.65 -0.46 0.11 -0.69 0.00 0.00 178.15 177.83 2npb h LYS 81 N 0.25 0.59 0.07 2.37 1.79 -0.80 -0.35 116.57 120.49 2npb h LYS 81 Ca -0.03 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2npb h LYS 81 Cb 1.32 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 2npb h LYS 81 CO 0.12 0.93 -0.03 0.00 -1.08 0.00 0.00 179.45 179.39 2npb h ALA 82 N 1.02 -0.09 -0.97 3.86 0.00 -1.05 -0.23 119.26 121.79 2npb h ALA 82 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2npb h ALA 82 Cb 0.99 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2npb h ALA 82 CO 0.09 -0.39 0.62 0.00 0.00 0.00 0.00 179.25 179.56 2npb h ALA 83 N 0.49 1.36 0.64 0.00 0.00 -1.38 -2.33 119.26 118.04 2npb h ALA 83 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2npb h ALA 83 Cb 0.36 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2npb h ALA 83 CO 0.02 0.37 -0.31 1.25 0.00 0.00 0.00 179.25 180.58 2npb h LEU 84 N 1.10 -0.73 -2.44 0.00 5.85 -1.00 -1.59 115.31 116.51 2npb h LEU 84 Ca 0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2npb h LEU 84 Cb 0.21 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2npb h LEU 84 CO -0.19 -0.43 0.19 0.00 -0.34 0.00 0.00 178.44 177.67 2npb h ALA 85 N -0.73 1.19 0.17 1.25 0.00 -0.80 0.28 119.26 120.62 2npb h ALA 85 Ca -0.09 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 2npb h ALA 85 Cb 0.70 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2npb h ALA 85 CO 0.14 -0.19 -1.61 0.37 0.00 0.00 0.00 179.25 177.96 2npb h GLN 86 N 0.00 0.35 0.00 0.00 4.15 -1.30 -3.35 115.11 114.96 2npb h GLN 86 Ca 0.00 -0.60 -0.06 0.00 0.77 0.00 0.00 58.65 58.76 2npb h GLN 86 Cb 0.37 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2npb h GLN 86 CO -0.00 1.29 -0.28 0.00 -1.93 0.00 0.00 178.83 177.90