#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 3.28 -0.40 3.04 0.00 -1.26 -4.71 121.76 121.70 2npb s ALA 2 Ca 0.00 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 2npb s ALA 2 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.81 2npb s ALA 2 CO 0.00 -0.27 0.72 -1.17 0.00 0.00 0.00 175.76 175.05 2npb s LEU 3 N -1.98 4.25 -0.64 0.00 2.96 -0.17 -4.80 118.68 118.30 2npb s LEU 3 Ca 0.51 0.05 -0.27 0.00 -0.22 0.00 0.00 54.13 54.19 2npb s LEU 3 Cb -0.29 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.51 2npb s LEU 3 CO 0.38 -0.76 1.39 0.00 -1.32 0.00 0.00 176.35 176.03 2npb s ALA 4 N 3.02 2.73 -0.00 5.97 0.00 -1.26 -0.96 121.76 131.27 2npb s ALA 4 Ca 0.28 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2npb s ALA 4 Cb -0.13 -4.18 -0.03 0.00 0.00 0.00 0.00 23.12 18.77 2npb s ALA 4 CO 0.19 -3.15 -0.06 0.08 0.00 0.00 0.00 175.76 172.82 2npb s VAL 5 N 6.15 3.73 0.14 0.00 1.01 0.80 -0.47 120.40 131.76 2npb s VAL 5 Ca 0.46 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2npb s VAL 5 Cb -0.09 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2npb s VAL 5 CO 0.21 0.40 -0.09 -0.60 0.00 0.00 0.00 175.10 175.01 2npb s ARG 6 N -1.42 1.04 -0.08 2.72 6.06 0.20 -0.84 118.95 126.64 2npb s ARG 6 Ca 0.17 -1.44 -0.03 0.00 -2.50 0.00 0.00 55.73 51.93 2npb s ARG 6 Cb -0.11 -0.55 0.04 0.00 0.06 0.00 0.00 34.95 34.39 2npb s ARG 6 CO 0.08 0.05 0.11 0.08 -2.50 0.00 0.00 175.30 173.12 2npb s VAL 7 N -3.38 -0.18 0.10 7.11 1.01 -1.11 -1.54 120.40 122.40 2npb s VAL 7 Ca 0.17 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 2npb s VAL 7 Cb 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 2npb s VAL 7 CO 0.00 0.11 0.72 -0.69 0.00 0.00 0.00 175.10 175.24 2npb s VAL 8 N 2.23 4.60 0.08 2.92 1.01 -0.59 -0.33 120.40 130.31 2npb s VAL 8 Ca 0.04 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.46 2npb s VAL 8 Cb -0.13 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2npb s VAL 8 CO -0.05 0.47 0.25 -0.47 0.00 0.00 0.00 175.10 175.30 2npb s TYR 9 N -0.70 0.03 -1.05 5.22 5.04 -0.96 -0.69 117.35 124.24 2npb s TYR 9 Ca 0.35 -0.36 -0.21 0.00 -2.44 0.00 0.00 57.07 54.41 2npb s TYR 9 Cb -0.21 0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.21 2npb s TYR 9 CO 0.23 -0.56 1.41 -1.54 -1.34 0.00 0.00 175.55 173.76 2npb s SER 10 N -2.63 6.60 -0.30 4.32 1.04 -1.20 -1.38 113.70 120.15 2npb s SER 10 Ca 0.02 -1.79 -0.03 0.00 0.48 0.00 0.00 55.95 54.63 2npb s SER 10 Cb 0.03 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 2npb s SER 10 CO -0.09 -1.33 1.69 0.61 0.98 0.00 0.00 173.24 175.10 2npb n GLY 11 N 6.25 2.17 2.29 7.32 0.00 0.53 -4.76 105.19 119.00 2npb n GLY 11 Ca 0.33 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 3.65 4.90 -1.06 4.61 0.00 -1.26 -4.60 120.51 126.75 2npb n ALA 12 Ca 0.22 -1.63 0.11 0.00 0.00 0.00 0.00 53.44 52.15 2npb n ALA 12 Cb 0.21 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 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 -2.55 0.60 0.26 0.00 0.00 -1.26 -4.77 105.19 97.47 2npb n GLY 14 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.46 0.04 1.61 -0.00 -1.92 -3.28 116.97 113.88 2npb h TYR 15 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 58.73 58.68 2npb h TYR 15 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 36.58 2npb h TYR 15 CO 0.00 0.50 -0.21 0.87 -0.00 0.00 0.00 178.16 179.32 2npb h LYS 16 N 0.42 -0.29 -0.01 0.10 1.79 -1.99 0.89 116.57 117.48 2npb h LYS 16 Ca 0.09 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2npb h LYS 16 Cb 0.37 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2npb h LYS 16 CO 0.02 -0.19 -0.24 -1.00 -1.08 0.00 0.00 179.45 176.95 2npb h PRO 17 N -0.30 0.02 -0.90 3.15 0.13 -1.99 -0.74 132.00 131.37 2npb h PRO 17 Ca -0.00 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2npb h PRO 17 Cb 0.30 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.39 2npb h PRO 17 CO -0.12 0.26 0.54 -0.22 -0.23 0.00 0.00 178.00 178.23 2npb h LYS 18 N 0.02 1.23 0.54 0.86 3.64 -1.55 -1.36 116.57 119.94 2npb h LYS 18 Ca 0.00 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2npb h LYS 18 Cb 0.44 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2npb h LYS 18 CO 0.03 0.87 -0.26 1.88 -2.27 0.00 0.00 179.45 179.70 2npb h TYR 19 N 1.24 -0.67 -0.71 1.91 -1.99 -0.42 -3.33 116.97 113.00 2npb h TYR 19 Ca 0.32 -0.02 0.14 0.00 2.00 0.00 0.00 58.73 61.18 2npb h TYR 19 Cb -0.04 0.22 -0.10 0.00 2.00 0.00 0.00 36.73 38.81 2npb h TYR 19 CO 0.00 -0.35 0.22 -0.07 -0.00 0.00 0.00 178.16 177.97 2npb h LEU 20 N -0.96 0.12 -1.91 3.88 3.38 -0.94 0.08 115.31 118.96 2npb h LEU 20 Ca -0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2npb h LEU 20 Cb 0.63 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2npb h LEU 20 CO 0.12 0.03 0.00 -0.61 0.09 0.00 0.00 178.44 178.07 2npb h GLN 21 N 0.34 0.00 0.12 1.13 -0.00 -1.36 0.49 115.11 115.83 2npb h GLN 21 Ca 0.39 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.75 2npb h GLN 21 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.10 2npb h GLN 21 CO -0.44 0.00 -1.50 1.25 0.00 0.00 0.00 178.83 178.14 2npb h LEU 22 N 0.00 0.39 0.59 -2.39 6.46 -1.39 -3.37 115.31 115.61 2npb h LEU 22 Ca 0.00 -0.86 -0.03 0.00 -0.12 0.00 0.00 57.88 56.87 2npb h LEU 22 Cb 0.25 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2npb h LEU 22 CO 0.00 1.66 -0.28 0.50 -0.62 0.00 0.00 178.44 179.69 2npb h LYS 23 N -0.25 -0.76 -0.15 1.25 3.11 0.97 -1.28 116.57 119.46 2npb h LYS 23 Ca -0.32 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2npb h LYS 23 Cb 1.80 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 33.21 2npb h LYS 23 CO 0.06 -0.48 0.00 0.39 -2.81 0.00 0.00 179.45 176.62 2npb n GLU 24 N -5.40 0.41 -0.07 1.90 4.71 0.15 -0.93 120.64 121.41 2npb n GLU 24 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 56.95 2npb n GLU 24 Cb 0.34 -1.07 -0.02 0.00 -1.01 0.00 0.00 31.44 29.67 2npb n GLU 24 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2npb n LYS 25 N -0.21 0.41 -0.31 3.49 4.01 -0.83 -4.59 118.16 120.14 2npb n LYS 25 Ca 0.00 0.16 0.01 0.00 -0.51 0.00 0.00 58.31 57.98 2npb n LYS 25 Cb 0.04 -1.22 0.15 0.00 -0.51 0.00 0.00 35.03 33.49 2npb n LYS 25 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2npb h LEU 26 N -0.78 0.82 -0.66 -0.35 5.85 -0.05 0.21 115.31 120.36 2npb h LEU 26 Ca 0.00 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2npb h LEU 26 Cb 0.78 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2npb h LEU 26 CO 0.00 0.51 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.93 2npb h GLU 27 N 0.95 0.65 -0.64 1.25 5.08 -1.31 -2.55 114.58 118.01 2npb h GLU 27 Ca 0.39 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2npb h GLU 27 Cb 0.22 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2npb h GLU 27 CO -0.19 0.91 0.07 1.25 -1.00 0.00 0.00 179.01 180.04 2npb h HIS 28 N 0.54 1.17 -0.74 4.33 2.76 -1.02 -2.08 115.15 120.11 2npb h HIS 28 Ca 0.05 -0.18 -0.03 0.00 -2.20 0.00 0.00 60.37 58.01 2npb h HIS 28 Cb 0.87 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 2npb h HIS 28 CO 0.04 1.00 0.34 0.93 -1.30 0.00 0.00 177.93 178.94 2npb h GLU 29 N 1.01 1.08 -1.36 5.26 3.07 -0.74 -3.38 114.58 119.52 2npb h GLU 29 Ca 0.19 -0.17 -0.45 0.00 -0.50 0.00 0.00 59.36 58.43 2npb h GLU 29 Cb 0.49 -0.19 -0.41 0.00 -0.84 0.00 0.00 28.75 27.80 2npb h GLU 29 CO 0.02 0.85 -1.04 1.19 -1.40 0.00 0.00 179.01 178.63 2npb n PHE 30 N -4.38 1.78 -2.03 4.33 3.72 -0.96 -5.10 117.46 114.82 2npb n PHE 30 Ca 0.06 -3.10 -0.42 0.00 -0.05 0.00 0.00 57.45 53.94 2npb n PHE 30 Cb 0.15 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 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 -3.15 4.23 0.00 -1.08 0.04 -0.79 -1.79 135.00 132.46 2npb s PRO 31 Ca 0.36 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2npb s PRO 31 Cb 0.42 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2npb s PRO 31 CO -0.05 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2npb n GLY 32 N 3.83 0.11 0.01 0.56 0.00 -1.26 -4.69 105.19 103.74 2npb n GLY 32 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.13 2.12 -0.01 0.00 1.02 -0.95 -1.00 118.68 116.73 2npb s LEU 34 Ca 0.07 -1.13 0.02 0.00 0.02 0.00 0.00 54.13 53.11 2npb s LEU 34 Cb 0.10 0.14 -0.00 0.00 0.02 0.00 0.00 46.19 46.45 2npb s LEU 34 CO 0.29 -0.63 -0.07 -0.62 0.02 0.00 0.00 176.35 175.34 2npb s ASP 35 N -3.05 0.91 -0.16 2.29 2.15 -0.13 -4.72 116.67 113.96 2npb s ASP 35 Ca 0.19 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 52.99 2npb s ASP 35 Cb 0.07 -0.18 0.05 0.00 -0.30 0.00 0.00 42.92 42.56 2npb s ASP 35 CO -0.01 0.06 0.05 -0.63 -0.17 0.00 0.00 175.17 174.48 2npb s ILE 36 N 0.04 0.24 0.11 4.11 1.09 -1.26 -0.14 121.20 125.39 2npb s ILE 36 Ca -0.00 -0.26 0.01 0.00 -1.10 0.00 0.00 60.65 59.30 2npb s ILE 36 Cb -0.05 -0.74 0.01 0.00 -1.06 0.00 0.00 42.46 40.62 2npb s ILE 36 CO -0.00 -0.15 0.10 0.00 -0.10 0.00 0.00 174.94 174.79 2npb s GLY 38 N -2.19 -0.32 -0.37 0.00 0.00 -1.26 -2.74 107.32 100.43 2npb s GLY 38 Ca 0.08 0.18 0.12 0.00 0.00 0.00 0.00 44.72 45.10 2npb s GLY 38 CO 0.05 0.06 0.75 1.18 0.00 0.00 0.00 173.10 175.14 2npb n GLU 39 N -0.41 1.05 -0.83 2.90 1.02 0.55 -4.89 120.64 120.03 2npb n GLU 39 Ca -0.09 -3.42 -0.25 0.00 -0.02 0.00 0.00 57.16 53.39 2npb n GLU 39 Cb 0.61 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2npb n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2npb n GLY 40 N 0.24 3.25 3.66 0.62 0.00 -1.26 -2.26 105.19 109.43 2npb n GLY 40 Ca 0.24 -0.94 -0.48 0.00 0.00 0.00 0.00 46.02 44.84 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 4.20 0.11 -1.34 2.61 5.66 -0.48 -3.73 114.28 121.30 2npb n THR 41 Ca 0.49 -0.02 -0.38 0.00 -3.05 0.00 0.00 64.05 61.09 2npb n THR 41 Cb 0.15 -1.46 -0.02 0.00 -1.55 0.00 0.00 70.33 67.45 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 3.86 2.70 -2.44 1.09 -0.04 -1.26 -0.34 135.00 138.56 2npb n PRO 42 Ca 0.18 -2.16 -0.04 0.00 -0.04 0.00 0.00 63.50 61.45 2npb n PRO 42 Cb 0.27 -2.95 -0.01 0.00 -0.04 0.00 0.00 33.50 30.76 2npb n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2npb n GLN 43 N 5.29 0.21 -3.82 0.54 6.02 -1.26 -4.94 117.38 119.41 2npb n GLN 43 Ca 0.58 -0.65 -0.28 0.00 -0.01 0.00 0.00 57.00 56.63 2npb n GLN 43 Cb 0.31 0.51 -0.16 0.00 1.02 0.00 0.00 30.24 31.91 2npb n GLN 43 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2npb s VAL 44 N -2.19 0.89 0.00 5.09 1.01 -1.26 -3.66 120.40 120.27 2npb s VAL 44 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2npb s VAL 44 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2npb s VAL 44 CO 0.05 -0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.42 2npb n THR 45 N 4.93 0.00 -0.47 3.92 -2.24 -1.26 -5.05 114.28 114.11 2npb n THR 45 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2npb n THR 45 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2npb n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2npb n GLY 46 N 0.22 1.81 3.77 3.38 0.00 -1.26 -5.03 105.19 108.08 2npb n GLY 46 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.23 2.83 -0.35 1.61 0.08 -1.26 -4.72 117.98 112.94 2npb s PHE 47 Ca 0.00 1.35 0.03 0.00 0.12 0.00 0.00 56.93 58.43 2npb s PHE 47 Cb 0.00 -3.77 0.15 0.00 -0.57 0.00 0.00 43.02 38.84 2npb s PHE 47 CO 0.00 -2.25 0.38 0.12 -0.10 0.00 0.00 175.22 173.37 2npb s PHE 48 N -1.18 -0.52 -0.29 0.36 2.19 -1.25 -3.26 117.98 114.02 2npb s PHE 48 Ca 0.53 -0.49 0.02 0.00 0.33 0.00 0.00 56.93 57.33 2npb s PHE 48 Cb -0.41 -0.33 0.08 0.00 -1.31 0.00 0.00 43.02 41.05 2npb s PHE 48 CO 0.54 -0.98 -0.00 -1.21 1.83 0.00 0.00 175.22 175.40 2npb s GLU 49 N 1.77 1.55 -0.25 10.12 0.41 0.13 -2.28 118.70 130.16 2npb s GLU 49 Ca 0.15 -1.41 -0.10 0.00 -0.41 0.00 0.00 54.97 53.20 2npb s GLU 49 Cb -0.14 -2.79 -0.05 0.00 -1.78 0.00 0.00 34.13 29.37 2npb s GLU 49 CO -0.12 -0.78 0.15 0.08 -0.49 0.00 0.00 175.26 174.09 2npb s VAL 50 N 1.18 5.10 -0.01 2.63 1.01 -0.19 -1.54 120.40 128.58 2npb s VAL 50 Ca 0.02 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2npb s VAL 50 Cb -0.19 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2npb s VAL 50 CO -0.09 0.32 -0.25 0.42 0.00 0.00 0.00 175.10 175.49 2npb s THR 51 N 1.37 1.97 -0.06 3.92 -4.23 -0.59 -0.64 115.64 117.39 2npb s THR 51 Ca 0.07 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2npb s THR 51 Cb -0.15 -1.65 0.02 0.00 1.34 0.00 0.00 72.50 72.06 2npb s THR 51 CO 0.07 0.51 -0.06 0.54 -0.54 0.00 0.00 174.62 175.13 2npb s VAL 52 N -0.63 0.71 -0.66 2.29 0.11 -0.30 -0.62 120.40 121.30 2npb s VAL 52 Ca 0.10 -0.21 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2npb s VAL 52 Cb -0.10 -0.71 0.06 0.00 -1.53 0.00 0.00 36.38 34.10 2npb s VAL 52 CO -0.00 0.27 0.19 0.00 -3.33 0.00 0.00 175.10 172.23 2npb n ALA 53 N 4.13 -1.04 -0.61 1.54 0.00 0.37 -0.17 120.51 124.73 2npb n ALA 53 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2npb n ALA 53 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.73 0.75 3.41 0.00 0.00 -1.26 -5.05 105.19 102.31 2npb n GLY 54 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.39 3.01 -0.02 1.61 -0.14 0.76 -5.06 119.74 119.50 2npb s LYS 55 Ca 0.00 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 2npb s LYS 55 Cb 0.00 -4.10 -0.08 0.00 -1.68 0.00 0.00 37.83 31.98 2npb s LYS 55 CO 0.00 -1.01 1.91 -1.17 -0.76 0.00 0.00 175.35 174.32 2npb s LEU 56 N 1.82 4.29 -0.13 3.17 1.98 -1.26 -1.15 118.68 127.39 2npb s LEU 56 Ca 0.06 2.46 0.12 0.00 -2.89 0.00 0.00 54.13 53.88 2npb s LEU 56 Cb -0.22 -3.53 -0.17 0.00 0.66 0.00 0.00 46.19 42.93 2npb s LEU 56 CO 0.08 -1.13 0.05 0.52 -1.89 0.00 0.00 176.35 173.98 2npb n VAL 57 N 5.79 0.94 -3.78 1.68 0.31 0.19 -4.99 118.33 118.46 2npb n VAL 57 Ca 0.20 -0.58 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 2npb n VAL 57 Cb 0.42 -0.64 -0.09 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.33 -0.14 -0.30 3.52 5.65 -1.16 -5.00 115.29 115.53 2npb s HIS 58 Ca -0.07 0.19 -0.08 0.00 0.25 0.00 0.00 55.06 55.35 2npb s HIS 58 Cb 0.04 0.07 0.18 0.00 -1.18 0.00 0.00 32.58 31.68 2npb s HIS 58 CO 0.56 -0.36 0.84 0.45 -0.65 0.00 0.00 174.74 175.57 2npb s SER 59 N -1.31 -0.89 0.50 9.88 0.15 -1.23 -1.02 113.70 119.78 2npb s SER 59 Ca -0.14 0.65 0.28 0.00 0.70 0.00 0.00 55.95 57.44 2npb s SER 59 Cb -0.06 1.78 1.30 0.00 -1.71 0.00 0.00 66.02 67.33 2npb s SER 59 CO 0.04 -0.17 1.98 0.11 1.20 0.00 0.00 173.24 176.40 2npb h LYS 60 N 7.95 0.00 -0.46 5.44 1.79 -1.65 -1.20 116.57 128.44 2npb h LYS 60 Ca -0.18 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 2npb h LYS 60 Cb 1.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 2npb h LYS 60 CO 0.08 0.14 0.18 -0.22 -1.08 0.00 0.00 179.45 178.55 2npb h LYS 61 N 0.00 0.65 0.07 3.15 3.11 -1.85 -2.41 116.57 119.29 2npb h LYS 61 Ca -0.00 -0.09 -0.26 0.00 -2.81 0.00 0.00 60.65 57.49 2npb h LYS 61 Cb 0.50 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 2npb h LYS 61 CO 0.02 0.54 -1.29 0.07 -2.81 0.00 0.00 179.45 175.98 2npb h ARG 62 N 0.65 0.14 0.00 1.90 0.11 -1.95 -3.49 114.38 111.74 2npb h ARG 62 Ca 0.16 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2npb h ARG 62 Cb 0.14 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.30 2npb h ARG 62 CO -0.02 1.03 0.00 0.41 0.10 0.00 0.00 179.97 181.49 2npb n GLY 63 N 1.51 1.40 0.33 0.08 0.00 -0.54 -5.04 105.19 102.93 2npb n GLY 63 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 2npb n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2npb n ASP 64 N 0.00 -0.44 0.00 1.61 -0.08 -0.70 -4.91 116.55 112.03 2npb n ASP 64 Ca 0.00 1.52 0.00 0.00 -1.51 0.00 0.00 54.79 54.80 2npb n ASP 64 Cb 0.00 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.05 2npb n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2npb n GLY 65 N -1.49 0.71 0.00 0.27 0.00 -1.26 -5.07 105.19 98.35 2npb n GLY 65 Ca 0.12 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 5.22 0.00 -2.51 1.61 4.01 -1.26 -4.35 117.16 119.87 2npb n TYR 66 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2npb n TYR 66 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2npb n TYR 66 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2npb s VAL 67 N 1.76 3.99 -0.71 -0.72 -7.23 -1.26 -4.82 120.40 111.41 2npb s VAL 67 Ca 0.00 -1.50 0.26 0.00 -1.81 0.00 0.00 61.98 58.92 2npb s VAL 67 Cb 0.00 -5.07 0.28 0.00 0.56 0.00 0.00 36.38 32.15 2npb s VAL 67 CO 0.00 -1.87 1.77 0.47 -0.31 0.00 0.00 175.10 175.16 2npb n ASP 68 N 9.29 0.75 -3.90 4.85 8.00 -1.26 -4.84 116.55 129.45 2npb n ASP 68 Ca 0.45 0.58 -0.08 0.00 0.71 0.00 0.00 54.79 56.45 2npb n ASP 68 Cb 0.47 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 2npb n ASP 68 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2npb s THR 69 N -3.12 0.00 0.10 -3.53 2.01 -1.26 -5.01 115.64 104.83 2npb s THR 69 Ca 0.10 -1.13 -0.27 0.00 0.31 0.00 0.00 61.69 60.70 2npb s THR 69 Cb 0.12 -2.01 -0.12 0.00 0.01 0.00 0.00 72.50 70.50 2npb s THR 69 CO 0.56 -0.02 1.67 -0.08 -0.69 0.00 0.00 174.62 176.06 2npb h GLU 70 N 2.14 -0.39 -0.91 4.92 4.22 -1.99 -1.32 114.58 121.25 2npb h GLU 70 Ca -0.24 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.31 2npb h GLU 70 Cb 1.25 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 2npb h GLU 70 CO 0.31 -0.26 0.59 1.03 -2.18 0.00 0.00 179.01 178.50 2npb h SER 71 N -0.40 0.86 0.55 1.04 0.87 -1.97 0.21 113.55 114.70 2npb h SER 71 Ca -0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2npb h SER 71 Cb 0.38 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2npb h SER 71 CO -0.04 0.53 -0.26 0.11 -0.53 0.00 0.00 176.83 176.63 2npb h LYS 72 N 0.96 -0.71 -0.01 2.24 1.79 -1.91 -0.30 116.57 118.64 2npb h LYS 72 Ca 0.41 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.95 2npb h LYS 72 Cb 0.32 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 2npb h LYS 72 CO -0.17 -0.46 -0.16 0.35 -1.08 0.00 0.00 179.45 177.93 2npb h PHE 73 N -0.76 -0.41 0.00 -1.35 3.57 -0.29 -2.87 116.94 114.83 2npb h PHE 73 Ca -0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2npb h PHE 73 Cb 0.57 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2npb h PHE 73 CO -0.03 -0.23 -0.08 -0.09 -2.23 0.00 0.00 178.31 175.64 2npb h ARG 74 N -0.26 0.00 -0.50 1.11 2.43 -0.57 0.62 114.38 117.22 2npb h ARG 74 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2npb h ARG 74 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2npb h ARG 74 CO -0.16 0.08 0.27 0.87 -1.51 0.00 0.00 179.97 179.52 2npb h LYS 75 N 0.00 0.70 -0.12 0.20 6.56 -0.83 0.89 116.57 123.96 2npb h LYS 75 Ca -0.00 -0.08 -0.08 0.00 -1.06 0.00 0.00 60.65 59.42 2npb h LYS 75 Cb 0.19 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2npb h LYS 75 CO 0.01 0.55 -0.25 1.25 -2.06 0.00 0.00 179.45 178.95 2npb h LEU 76 N 0.66 0.44 -0.43 2.94 7.12 -0.84 -1.77 115.31 123.43 2npb h LEU 76 Ca 0.17 -0.56 0.05 0.00 0.13 0.00 0.00 57.88 57.68 2npb h LEU 76 Cb 0.06 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.02 2npb h LEU 76 CO -0.03 0.92 0.15 0.58 -0.13 0.00 0.00 178.44 179.93 2npb h VAL 77 N -0.02 0.86 -0.66 1.05 2.07 -1.08 -0.65 116.25 117.82 2npb h VAL 77 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2npb h VAL 77 Cb 0.85 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2npb h VAL 77 CO 0.06 0.06 0.43 0.74 0.02 0.00 0.00 177.57 178.88 2npb h THR 78 N 0.32 1.17 -0.16 2.57 2.02 -0.76 0.57 112.91 118.65 2npb h THR 78 Ca 0.20 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 2npb h THR 78 Cb 0.19 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2npb h THR 78 CO -0.21 0.17 -0.49 0.00 0.37 0.00 0.00 175.52 175.36 2npb h ALA 79 N 1.24 0.86 0.02 6.16 0.00 -0.68 -1.09 119.26 125.77 2npb h ALA 79 Ca 0.24 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2npb h ALA 79 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2npb h ALA 79 CO -0.05 0.67 -0.94 0.82 0.00 0.00 0.00 179.25 179.74 2npb h ILE 80 N 0.33 1.47 -0.32 0.00 1.08 -0.85 -0.43 117.51 118.80 2npb h ILE 80 Ca 0.02 -2.65 -0.12 0.00 -0.39 0.00 0.00 64.86 61.72 2npb h ILE 80 Cb 0.99 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 37.25 2npb h ILE 80 CO 0.09 0.78 -0.26 0.50 -0.69 0.00 0.00 178.15 178.57 2npb h LYS 81 N 0.14 0.73 0.35 2.37 3.11 -0.73 -0.14 116.57 122.39 2npb h LYS 81 Ca -0.06 -0.37 -0.02 0.00 -2.81 0.00 0.00 60.65 57.39 2npb h LYS 81 Cb 1.59 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 2npb h LYS 81 CO 0.15 0.98 -0.17 0.00 -2.81 0.00 0.00 179.45 177.61 2npb h ALA 82 N 0.74 -0.46 -0.88 5.00 0.00 -1.17 -1.19 119.26 121.29 2npb h ALA 82 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2npb h ALA 82 Cb 0.82 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2npb h ALA 82 CO 0.07 -0.72 0.57 0.00 0.00 0.00 0.00 179.25 179.18 2npb h ALA 83 N 0.07 1.35 0.69 0.00 0.00 -1.02 -0.81 119.26 119.54 2npb h ALA 83 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2npb h ALA 83 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2npb h ALA 83 CO 0.08 0.60 -0.47 1.25 0.00 0.00 0.00 179.25 180.70 2npb h LEU 84 N 1.20 -1.22 0.00 0.00 5.85 -1.02 -0.11 115.31 120.01 2npb h LEU 84 Ca 0.32 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2npb h LEU 84 Cb -0.12 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2npb h LEU 84 CO -0.07 -0.70 0.00 0.00 -0.34 0.00 0.00 178.44 177.33 2npb n ALA 85 N -2.73 1.27 -0.11 1.25 0.00 -0.45 -0.49 120.51 119.25 2npb n ALA 85 Ca -0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 2npb n ALA 85 Cb 0.48 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 2npb n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2npb n GLN 86 N -1.38 0.57 0.29 0.00 6.02 -0.38 -4.47 117.38 118.04 2npb n GLN 86 Ca 0.01 0.54 0.19 0.00 -0.01 0.00 0.00 57.00 57.73 2npb n GLN 86 Cb 0.03 -1.71 0.90 0.00 1.02 0.00 0.00 30.24 30.47 2npb n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05