#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npb s ALA 2 N 0.00 2.49 -0.26 3.04 0.00 -1.26 -4.45 121.76 121.32 2npb s ALA 2 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 2npb s ALA 2 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2npb s ALA 2 CO 0.00 -1.22 0.79 -1.17 0.00 0.00 0.00 175.76 174.16 2npb s LEU 3 N -4.74 4.08 -0.52 0.00 2.96 -0.62 -4.84 118.68 115.01 2npb s LEU 3 Ca 0.68 0.89 -0.26 0.00 -0.22 0.00 0.00 54.13 55.22 2npb s LEU 3 Cb -0.21 -3.11 0.03 0.00 0.50 0.00 0.00 46.19 43.40 2npb s LEU 3 CO 0.40 -0.52 1.00 0.00 -1.32 0.00 0.00 176.35 175.91 2npb s ALA 4 N 2.82 3.15 0.04 5.97 0.00 -1.26 -0.70 121.76 131.79 2npb s ALA 4 Ca 0.33 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.42 2npb s ALA 4 Cb -0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 2npb s ALA 4 CO 0.09 -2.31 -0.14 0.08 0.00 0.00 0.00 175.76 173.48 2npb s VAL 5 N 4.12 3.10 0.09 0.00 1.01 0.26 -0.80 120.40 128.19 2npb s VAL 5 Ca 0.37 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2npb s VAL 5 Cb -0.10 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2npb s VAL 5 CO 0.24 0.32 -0.08 -0.60 0.00 0.00 0.00 175.10 174.98 2npb s ARG 6 N -1.55 0.81 -0.07 2.72 6.06 0.13 -1.24 118.95 125.82 2npb s ARG 6 Ca 0.16 -1.21 -0.03 0.00 -2.50 0.00 0.00 55.73 52.15 2npb s ARG 6 Cb -0.11 -0.34 0.04 0.00 0.06 0.00 0.00 34.95 34.61 2npb s ARG 6 CO 0.07 0.03 0.13 0.08 -2.50 0.00 0.00 175.30 173.11 2npb s VAL 7 N -2.95 -0.21 -0.18 7.11 1.01 -1.05 -1.52 120.40 122.61 2npb s VAL 7 Ca 0.07 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 2npb s VAL 7 Cb 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 2npb s VAL 7 CO -0.02 0.15 0.21 -0.69 0.00 0.00 0.00 175.10 174.75 2npb s VAL 8 N 2.18 5.36 -0.06 2.92 1.01 -1.06 -0.40 120.40 130.35 2npb s VAL 8 Ca 0.03 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 2npb s VAL 8 Cb -0.12 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2npb s VAL 8 CO -0.05 0.42 0.22 -0.47 0.00 0.00 0.00 175.10 175.22 2npb s TYR 9 N 0.37 -0.20 -0.80 5.22 5.04 -1.17 -1.18 117.35 124.64 2npb s TYR 9 Ca 0.12 0.46 -0.24 0.00 -2.44 0.00 0.00 57.07 54.97 2npb s TYR 9 Cb -0.12 0.06 -0.18 0.00 0.35 0.00 0.00 41.96 42.07 2npb s TYR 9 CO 0.01 -0.17 1.89 -1.13 -1.34 0.00 0.00 175.55 174.81 2npb n SER 10 N 2.56 2.31 -0.90 4.32 3.41 -1.00 -4.18 113.62 120.15 2npb n SER 10 Ca -0.15 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 2npb n SER 10 Cb 0.58 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2npb n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2npb n GLY 11 N 5.16 0.82 0.27 5.00 0.00 -1.26 -4.54 105.19 110.64 2npb n GLY 11 Ca 0.47 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.67 2npb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb h ALA 12 N 1.88 1.00 -2.59 4.61 0.00 -1.96 -3.40 119.26 118.81 2npb h ALA 12 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2npb h ALA 12 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.03 2npb h ALA 12 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 2npb n GLY 14 N 0.04 0.00 0.25 0.00 0.00 -1.26 -4.85 105.19 99.37 2npb n GLY 14 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.68 0.49 1.61 -0.00 -1.95 -3.12 116.97 114.68 2npb h TYR 15 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.74 2npb h TYR 15 Cb 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 36.50 2npb h TYR 15 CO 0.00 0.36 -0.43 -0.22 -0.00 0.00 0.00 178.16 177.88 2npb h LYS 16 N 0.71 -0.88 -0.22 0.10 3.64 -1.92 0.22 116.57 118.21 2npb h LYS 16 Ca 0.27 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2npb h LYS 16 Cb 0.09 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2npb h LYS 16 CO -0.14 -0.59 -0.22 -1.00 -2.27 0.00 0.00 179.45 175.23 2npb h PRO 17 N -0.92 0.40 0.00 1.90 0.13 -1.99 -1.07 132.00 130.46 2npb h PRO 17 Ca -0.05 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 2npb h PRO 17 Cb 0.79 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2npb h PRO 17 CO -0.03 0.60 -0.12 -0.22 -0.23 0.00 0.00 178.00 178.01 2npb h LYS 18 N 0.36 0.00 0.28 0.86 3.11 -1.29 -0.12 116.57 119.77 2npb h LYS 18 Ca 0.06 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 2npb h LYS 18 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2npb h LYS 18 CO 0.04 0.12 -0.13 1.88 -2.81 0.00 0.00 179.45 178.54 2npb h TYR 19 N 0.00 -0.34 -0.87 1.91 -1.99 -0.49 -3.39 116.97 111.80 2npb h TYR 19 Ca -0.00 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.82 2npb h TYR 19 Cb 0.21 0.11 -0.08 0.00 2.00 0.00 0.00 36.73 38.98 2npb h TYR 19 CO 0.00 -0.21 0.51 -0.07 -0.00 0.00 0.00 178.16 178.39 2npb h LEU 20 N -0.77 0.73 -1.32 3.88 3.38 -0.75 -1.28 115.31 119.18 2npb h LEU 20 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2npb h LEU 20 Cb 0.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2npb h LEU 20 CO 0.06 0.41 0.40 -0.61 0.09 0.00 0.00 178.44 178.79 2npb h GLN 21 N 0.84 0.86 0.05 1.13 -0.00 -1.25 0.39 115.11 117.13 2npb h GLN 21 Ca 0.42 -0.06 -0.26 0.00 -0.00 0.00 0.00 58.65 58.75 2npb h GLN 21 Cb 0.39 -0.19 0.01 0.00 0.00 0.00 0.00 27.48 27.70 2npb h GLN 21 CO -0.25 0.59 -1.09 1.25 0.00 0.00 0.00 178.83 179.33 2npb h LEU 22 N 0.88 0.70 0.45 -2.39 5.85 -1.62 -3.35 115.31 115.83 2npb h LEU 22 Ca 0.23 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2npb h LEU 22 Cb -0.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.76 2npb h LEU 22 CO -0.05 1.42 -0.21 0.11 -0.34 0.00 0.00 178.44 179.37 2npb h LYS 23 N 0.26 -0.58 -0.98 1.25 1.57 -0.20 -3.26 116.57 114.63 2npb h LYS 23 Ca -0.13 0.04 0.29 0.00 -1.87 0.00 0.00 60.65 58.98 2npb h LYS 23 Cb 1.75 0.13 -0.18 0.00 0.08 0.00 0.00 32.23 34.01 2npb h LYS 23 CO 0.20 -0.27 0.13 1.49 -0.57 0.00 0.00 179.45 180.43 2npb h GLU 24 N -0.92 0.03 -0.60 3.15 4.22 -0.45 0.68 114.58 120.68 2npb h GLU 24 Ca -0.06 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.40 2npb h GLU 24 Cb 0.57 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2npb h GLU 24 CO 0.10 0.02 0.38 -0.22 -2.18 0.00 0.00 179.01 177.11 2npb h LYS 25 N 0.03 0.74 -0.08 1.92 1.63 -1.68 0.16 116.57 119.27 2npb h LYS 25 Ca 0.64 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 60.28 2npb h LYS 25 Cb 1.39 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2npb h LYS 25 CO -0.87 0.49 -0.39 1.25 -3.45 0.00 0.00 179.45 176.48 2npb h LEU 26 N 0.76 0.49 -0.94 5.20 5.85 -0.97 -2.56 115.31 123.13 2npb h LEU 26 Ca 0.23 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.34 2npb h LEU 26 Cb -0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2npb h LEU 26 CO -0.08 1.05 0.61 -0.33 -0.34 0.00 0.00 178.44 179.35 2npb h GLU 27 N -0.04 1.17 -0.42 1.25 5.08 -1.19 -1.37 114.58 119.05 2npb h GLU 27 Ca -0.02 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2npb h GLU 27 Cb 1.03 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2npb h GLU 27 CO 0.08 0.77 0.25 1.25 -1.00 0.00 0.00 179.01 180.36 2npb h HIS 28 N 1.20 0.47 -0.18 4.33 2.76 -0.70 -2.08 115.15 120.96 2npb h HIS 28 Ca 0.37 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.43 2npb h HIS 28 Cb -0.03 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 2npb h HIS 28 CO -0.01 0.27 -0.41 0.93 -1.30 0.00 0.00 177.93 177.42 2npb h GLU 29 N 0.50 0.41 -1.87 5.26 4.39 -1.24 -3.38 114.58 118.66 2npb h GLU 29 Ca 0.16 -0.20 -0.50 0.00 0.34 0.00 0.00 59.36 59.16 2npb h GLU 29 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 2npb h GLU 29 CO -0.07 0.75 -1.01 1.19 -1.16 0.00 0.00 179.01 178.71 2npb n PHE 30 N -4.02 1.63 -2.00 4.33 3.72 -0.54 -5.08 117.46 115.49 2npb n PHE 30 Ca -0.02 -3.64 -0.43 0.00 -0.05 0.00 0.00 57.45 53.32 2npb n PHE 30 Cb 0.50 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 2npb n PHE 30 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2npb s PRO 31 N -2.91 3.97 0.00 -1.08 0.04 -0.79 -1.21 135.00 133.02 2npb s PRO 31 Ca 0.41 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2npb s PRO 31 Cb 0.35 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2npb s PRO 31 CO -0.09 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.27 2npb n GLY 32 N 4.44 0.00 0.18 0.56 0.00 -1.26 -4.70 105.19 104.41 2npb n GLY 32 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 -5.12 2.46 -0.10 0.00 1.02 -0.76 -1.58 118.68 114.60 2npb s LEU 34 Ca 0.04 -0.89 -0.02 0.00 0.02 0.00 0.00 54.13 53.28 2npb s LEU 34 Cb 0.09 -1.15 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 2npb s LEU 34 CO 0.49 0.10 -0.00 -0.62 0.02 0.00 0.00 176.35 176.34 2npb s ASP 35 N -2.80 5.20 -0.09 2.29 2.15 0.13 -4.84 116.67 118.70 2npb s ASP 35 Ca 0.22 0.11 -0.02 0.00 0.43 0.00 0.00 52.55 53.29 2npb s ASP 35 Cb -0.07 -1.51 0.03 0.00 -0.30 0.00 0.00 42.92 41.07 2npb s ASP 35 CO 0.11 0.35 0.02 -0.63 -0.17 0.00 0.00 175.17 174.85 2npb s ILE 36 N -0.72 0.30 0.45 4.11 1.09 -1.26 -0.57 121.20 124.61 2npb s ILE 36 Ca 0.11 0.05 0.07 0.00 -1.10 0.00 0.00 60.65 59.79 2npb s ILE 36 Cb -0.12 -0.56 -0.00 0.00 -1.06 0.00 0.00 42.46 40.73 2npb s ILE 36 CO 0.02 0.15 0.43 0.00 -0.10 0.00 0.00 174.94 175.44 2npb s GLY 38 N -4.21 0.29 -0.33 0.00 0.00 -1.26 -2.52 107.32 99.28 2npb s GLY 38 Ca 0.47 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.42 2npb s GLY 38 CO 0.28 -0.90 0.39 1.85 0.00 0.00 0.00 173.10 174.72 2npb s GLU 39 N -3.91 0.53 -1.30 2.90 2.12 0.46 -4.91 118.70 114.60 2npb s GLU 39 Ca 0.10 -0.39 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 2npb s GLU 39 Cb 0.05 -0.52 0.15 0.00 0.26 0.00 0.00 34.13 34.06 2npb s GLU 39 CO -0.07 -1.12 2.09 0.41 -0.54 0.00 0.00 175.26 176.03 2npb n GLY 40 N 4.79 4.94 3.85 -1.50 0.00 -1.26 -3.01 105.19 112.99 2npb n GLY 40 Ca 0.05 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 2npb n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2npb s THR 41 N -0.22 4.58 -2.00 2.61 -4.23 -1.26 -4.86 115.64 110.26 2npb s THR 41 Ca 0.46 1.10 0.14 0.00 -1.18 0.00 0.00 61.69 62.20 2npb s THR 41 Cb 0.13 -3.69 0.39 0.00 1.34 0.00 0.00 72.50 70.67 2npb s THR 41 CO -0.03 -0.54 1.23 -0.81 -0.54 0.00 0.00 174.62 173.93 2npb n PRO 42 N -1.24 0.49 0.02 3.99 -0.04 -1.26 -2.52 135.00 134.45 2npb n PRO 42 Ca 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 2npb n PRO 42 Cb 0.54 -1.43 0.31 0.00 -0.04 0.00 0.00 33.50 32.88 2npb n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2npb n GLN 43 N -0.93 0.03 -4.76 0.54 7.27 -1.26 -4.69 117.38 113.59 2npb n GLN 43 Ca 0.10 0.31 -0.26 0.00 0.07 0.00 0.00 57.00 57.23 2npb n GLN 43 Cb 0.05 -1.57 -0.16 0.00 2.41 0.00 0.00 30.24 30.97 2npb n GLN 43 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2npb s VAL 44 N -3.06 1.34 0.00 1.69 -7.23 -1.05 -5.03 120.40 107.07 2npb s VAL 44 Ca 0.06 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2npb s VAL 44 Cb 0.08 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.85 2npb s VAL 44 CO 0.26 0.39 0.19 1.07 -0.31 0.00 0.00 175.10 176.71 2npb n THR 45 N 3.40 0.00 -1.83 5.32 5.66 -1.26 -4.31 114.28 121.26 2npb n THR 45 Ca -0.20 -0.40 -0.05 0.00 -3.05 0.00 0.00 64.05 60.36 2npb n THR 45 Cb 0.53 1.10 -0.05 0.00 -1.55 0.00 0.00 70.33 70.36 2npb n THR 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2npb n GLY 46 N 0.41 0.16 3.05 1.09 0.00 -1.26 -4.94 105.19 103.69 2npb n GLY 46 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2npb n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2npb s PHE 47 N 0.00 1.11 -0.06 1.61 0.08 -1.26 -4.72 117.98 114.73 2npb s PHE 47 Ca 0.00 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.81 2npb s PHE 47 Cb 0.00 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 2npb s PHE 47 CO -0.00 -0.08 -0.10 0.12 -0.10 0.00 0.00 175.22 175.06 2npb s PHE 48 N -0.00 1.33 0.10 0.36 2.19 -1.26 -2.38 117.98 118.32 2npb s PHE 48 Ca -0.00 -0.49 0.03 0.00 0.33 0.00 0.00 56.93 56.80 2npb s PHE 48 Cb -0.08 -1.01 -0.04 0.00 -1.31 0.00 0.00 43.02 40.59 2npb s PHE 48 CO 0.00 -0.28 -0.09 -1.83 1.83 0.00 0.00 175.22 174.86 2npb s GLU 49 N 0.79 0.86 -0.06 10.12 -1.05 -0.33 -0.27 118.70 128.76 2npb s GLU 49 Ca -0.13 -1.24 0.03 0.00 -0.15 0.00 0.00 54.97 53.48 2npb s GLU 49 Cb -0.15 -0.43 0.01 0.00 -0.44 0.00 0.00 34.13 33.11 2npb s GLU 49 CO 0.02 0.05 -0.13 0.08 0.95 0.00 0.00 175.26 176.23 2npb s VAL 50 N -2.89 1.20 -0.01 1.83 1.01 -0.90 -2.56 120.40 118.08 2npb s VAL 50 Ca 0.08 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2npb s VAL 50 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2npb s VAL 50 CO -0.01 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.45 2npb s THR 51 N 0.50 0.89 -0.01 3.92 2.01 -0.58 -0.82 115.64 121.55 2npb s THR 51 Ca -0.12 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.45 2npb s THR 51 Cb -0.15 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 2npb s THR 51 CO 0.03 0.26 -0.15 0.54 -0.69 0.00 0.00 174.62 174.61 2npb s VAL 52 N -0.21 1.18 -0.17 3.82 0.11 -0.56 -0.69 120.40 123.88 2npb s VAL 52 Ca 0.03 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 2npb s VAL 52 Cb -0.05 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2npb s VAL 52 CO -0.00 0.33 0.00 0.00 -3.33 0.00 0.00 175.10 172.10 2npb n ALA 53 N 2.70 -0.95 -3.00 1.54 0.00 0.02 -0.33 120.51 120.50 2npb n ALA 53 Ca -0.14 0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 2npb n ALA 53 Cb 0.55 -0.66 0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.54 -0.22 2.80 0.00 0.00 -1.26 -5.06 105.19 100.91 2npb n GLY 54 Ca -0.02 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.83 0.11 0.09 1.61 -0.14 0.55 -5.15 119.74 111.99 2npb s LYS 55 Ca 0.05 0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 54.74 2npb s LYS 55 Cb -0.01 -0.75 -0.08 0.00 -1.68 0.00 0.00 37.83 35.32 2npb s LYS 55 CO 0.53 -0.47 1.40 -1.17 -0.76 0.00 0.00 175.35 174.88 2npb s LEU 56 N 2.31 4.36 -0.23 3.17 0.20 -1.26 -1.49 118.68 125.74 2npb s LEU 56 Ca 0.04 2.29 0.06 0.00 0.69 0.00 0.00 54.13 57.22 2npb s LEU 56 Cb -0.14 -3.58 -0.18 0.00 -0.43 0.00 0.00 46.19 41.86 2npb s LEU 56 CO -0.09 -0.67 -0.13 0.52 -0.29 0.00 0.00 176.35 175.69 2npb n VAL 57 N 4.10 1.36 -3.98 1.68 0.31 -0.00 -4.99 118.33 116.81 2npb n VAL 57 Ca 0.12 -0.61 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 2npb n VAL 57 Cb 0.42 -1.11 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 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 -2.48 0.27 -0.29 3.52 5.65 -1.14 -4.98 115.29 115.84 2npb s HIS 58 Ca -0.26 -0.53 0.04 0.00 0.25 0.00 0.00 55.06 54.56 2npb s HIS 58 Cb 0.08 -0.19 0.18 0.00 -1.18 0.00 0.00 32.58 31.47 2npb s HIS 58 CO 0.62 -0.19 0.52 0.45 -0.65 0.00 0.00 174.74 175.49 2npb s SER 59 N -1.47 -0.88 0.47 9.88 0.15 -1.26 -2.11 113.70 118.47 2npb s SER 59 Ca -0.16 -0.00 0.24 0.00 0.70 0.00 0.00 55.95 56.72 2npb s SER 59 Cb -0.10 1.70 1.26 0.00 -1.71 0.00 0.00 66.02 67.17 2npb s SER 59 CO -0.01 -0.32 1.87 0.50 1.20 0.00 0.00 173.24 176.48 2npb h LYS 60 N 8.06 0.22 -0.77 5.44 1.63 -0.95 0.43 116.57 130.63 2npb h LYS 60 Ca -0.04 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2npb h LYS 60 Cb 1.16 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.70 2npb h LYS 60 CO 0.19 0.14 0.51 -0.22 -3.45 0.00 0.00 179.45 176.62 2npb h LYS 61 N 0.22 0.90 0.00 1.90 3.11 -1.85 -2.10 116.57 118.75 2npb h LYS 61 Ca 0.45 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 58.17 2npb h LYS 61 Cb 1.40 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2npb h LYS 61 CO -0.11 0.60 -0.33 0.07 -2.81 0.00 0.00 179.45 176.86 2npb h ARG 62 N 0.93 0.00 0.00 1.90 -0.00 -1.33 -3.47 114.38 112.41 2npb h ARG 62 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.29 2npb h ARG 62 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.04 2npb h ARG 62 CO -0.09 0.33 0.00 0.41 -0.00 0.00 0.00 179.97 180.62 2npb n GLY 63 N 0.93 0.54 0.26 0.08 0.00 -0.79 -5.09 105.19 101.12 2npb n GLY 63 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.97 -4.28 1.61 1.82 -1.25 -3.46 116.42 111.83 2npb h ASP 64 Ca 0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 2npb h ASP 64 Cb 0.00 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.74 2npb h ASP 64 CO 0.00 1.25 0.00 0.61 -1.61 0.00 0.00 179.24 179.49 2npb n GLY 65 N 0.19 -1.39 0.00 -0.78 0.00 -1.26 -4.94 105.19 97.01 2npb n GLY 65 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.58 -0.49 -2.28 1.61 4.01 -1.26 -4.80 117.16 113.36 2npb n TYR 66 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 2npb n TYR 66 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.49 2.79 0.22 -0.72 0.24 -1.26 -4.73 118.33 114.37 2npb n VAL 67 Ca 0.00 -2.90 0.10 0.00 -2.04 0.00 0.00 64.34 59.49 2npb n VAL 67 Cb 0.00 -2.25 0.41 0.00 -1.47 0.00 0.00 33.84 30.53 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 8.77 0.00 -5.29 -1.34 3.32 -1.95 -3.47 116.42 116.46 2npb h ASP 68 Ca 0.32 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 2npb h ASP 68 Cb 0.91 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.33 2npb h ASP 68 CO 1.33 0.23 -0.37 0.42 -1.72 0.00 0.00 179.24 179.12 2npb s THR 69 N -3.55 0.07 0.22 0.35 -4.23 -1.26 -5.03 115.64 102.20 2npb s THR 69 Ca 0.01 -1.47 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 2npb s THR 69 Cb 0.10 -1.88 0.16 0.00 1.34 0.00 0.00 72.50 72.22 2npb s THR 69 CO 0.64 -0.32 1.82 -0.33 -0.54 0.00 0.00 174.62 175.90 2npb h GLU 70 N 2.59 0.75 -0.97 3.99 4.39 -2.00 -1.01 114.58 122.33 2npb h GLU 70 Ca -0.32 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.37 2npb h GLU 70 Cb 1.22 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.65 2npb h GLU 70 CO 0.50 0.50 0.63 1.03 -1.16 0.00 0.00 179.01 180.51 2npb h SER 71 N 0.78 1.05 0.16 1.42 0.87 -1.98 -0.76 113.55 115.10 2npb h SER 71 Ca 0.32 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2npb h SER 71 Cb 0.17 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2npb h SER 71 CO -0.17 0.71 -0.08 0.11 -0.53 0.00 0.00 176.83 176.87 2npb h LYS 72 N 1.21 -0.21 -0.48 2.24 1.57 -1.79 -0.47 116.57 118.64 2npb h LYS 72 Ca 0.39 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.26 2npb h LYS 72 Cb 0.03 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2npb h LYS 72 CO -0.13 -0.13 0.13 0.35 -0.57 0.00 0.00 179.45 179.09 2npb h PHE 73 N -0.23 0.21 0.00 -1.35 3.57 -0.74 -1.41 116.94 116.99 2npb h PHE 73 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2npb h PHE 73 Cb 0.18 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2npb h PHE 73 CO -0.06 0.04 -0.11 0.00 -2.23 0.00 0.00 178.31 175.95 2npb h ARG 74 N 0.27 0.00 -0.42 1.11 -0.00 -1.05 -0.88 114.38 113.42 2npb h ARG 74 Ca 0.24 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.61 2npb h ARG 74 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.25 2npb h ARG 74 CO -0.28 0.11 -0.17 0.87 0.00 0.00 0.00 179.97 180.49 2npb h LYS 75 N 0.00 0.79 -0.02 0.04 6.56 0.05 0.18 116.57 124.17 2npb h LYS 75 Ca -0.00 -0.30 -0.02 0.00 -1.06 0.00 0.00 60.65 59.28 2npb h LYS 75 Cb 0.24 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2npb h LYS 75 CO 0.01 0.91 -0.06 1.25 -2.06 0.00 0.00 179.45 179.51 2npb h LEU 76 N 0.70 0.08 -0.89 2.94 5.85 -1.13 -2.27 115.31 120.60 2npb h LEU 76 Ca 0.11 -0.64 0.09 0.00 0.84 0.00 0.00 57.88 58.28 2npb h LEU 76 Cb 0.67 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2npb h LEU 76 CO 0.05 0.70 0.53 0.58 -0.34 0.00 0.00 178.44 179.96 2npb h VAL 77 N -0.54 0.94 -0.31 1.05 2.07 -1.17 0.88 116.25 119.17 2npb h VAL 77 Ca -0.00 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2npb h VAL 77 Cb 0.70 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2npb h VAL 77 CO 0.01 0.16 0.12 0.74 0.02 0.00 0.00 177.57 178.63 2npb h THR 78 N 0.90 1.18 0.00 2.57 2.02 -0.68 0.35 112.91 119.25 2npb h THR 78 Ca 0.42 -0.56 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 2npb h THR 78 Cb 0.35 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2npb h THR 78 CO -0.24 0.19 -0.71 0.00 0.37 0.00 0.00 175.52 175.14 2npb h ALA 79 N 0.96 0.76 0.11 6.16 0.00 -0.67 -0.78 119.26 125.80 2npb h ALA 79 Ca 0.10 -0.65 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 2npb h ALA 79 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2npb h ALA 79 CO -0.01 0.89 -1.20 0.82 0.00 0.00 0.00 179.25 179.75 2npb h ILE 80 N 0.00 1.50 -0.26 0.00 1.08 -0.86 -1.53 117.51 117.44 2npb h ILE 80 Ca -0.01 -3.01 -0.09 0.00 -0.39 0.00 0.00 64.86 61.36 2npb h ILE 80 Cb 1.31 2.89 -0.01 0.00 -3.07 0.00 0.00 36.82 37.94 2npb h ILE 80 CO 0.09 0.88 -0.17 0.50 -0.69 0.00 0.00 178.15 178.76 2npb h LYS 81 N 0.09 0.58 0.01 2.37 3.64 -0.63 0.17 116.57 122.80 2npb h LYS 81 Ca -0.12 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2npb h LYS 81 Cb 1.92 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2npb h LYS 81 CO 0.20 0.85 -0.01 0.00 -2.27 0.00 0.00 179.45 178.22 2npb h ALA 82 N 0.72 -0.02 -0.11 5.00 0.00 -1.23 -0.69 119.26 122.93 2npb h ALA 82 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2npb h ALA 82 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2npb h ALA 82 CO 0.05 -0.41 -0.25 0.00 0.00 0.00 0.00 179.25 178.64 2npb h ALA 83 N 0.76 1.38 0.31 0.00 0.00 -1.26 -2.18 119.26 118.27 2npb h ALA 83 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2npb h ALA 83 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2npb h ALA 83 CO 0.00 0.43 -0.15 1.25 0.00 0.00 0.00 179.25 180.79 2npb h LEU 84 N 0.17 -0.35 -2.58 0.00 7.12 -0.56 -1.62 115.31 117.48 2npb h LEU 84 Ca 0.03 -0.10 0.01 0.00 0.13 0.00 0.00 57.88 57.95 2npb h LEU 84 Cb 0.54 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2npb h LEU 84 CO 0.04 -0.10 0.10 0.00 -0.13 0.00 0.00 178.44 178.35 2npb h ALA 85 N 0.03 1.29 0.10 1.25 0.00 -0.92 0.56 119.26 121.58 2npb h ALA 85 Ca -0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2npb h ALA 85 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2npb h ALA 85 CO 0.07 -0.12 -0.67 0.37 0.00 0.00 0.00 179.25 178.90 2npb h GLN 86 N 0.00 0.21 0.00 0.00 4.15 -1.21 -3.32 115.11 114.95 2npb h GLN 86 Ca 0.02 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.02 2npb h GLN 86 Cb 0.23 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2npb h GLN 86 CO -0.00 1.18 -0.23 0.00 -1.93 0.00 0.00 178.83 177.85