#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 2.42 -0.31 3.17 0.00 -1.26 -4.46 121.76 121.32 2npb s ALA 2 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 2npb s ALA 2 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2npb s ALA 2 CO 0.00 -1.52 0.26 -1.17 0.00 0.00 0.00 175.76 173.33 2npb s LEU 3 N -5.65 4.27 -0.31 0.00 1.98 -0.20 -4.89 118.68 113.88 2npb s LEU 3 Ca 0.61 -0.16 -0.29 0.00 -2.89 0.00 0.00 54.13 51.40 2npb s LEU 3 Cb -0.16 -2.20 0.01 0.00 0.66 0.00 0.00 46.19 44.49 2npb s LEU 3 CO 0.53 -0.18 1.23 0.00 -1.89 0.00 0.00 176.35 176.05 2npb s ALA 4 N 1.83 3.40 0.05 5.97 0.00 -1.26 -0.46 121.76 131.29 2npb s ALA 4 Ca 0.08 0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2npb s ALA 4 Cb -0.17 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2npb s ALA 4 CO 0.11 -1.69 -0.26 0.08 0.00 0.00 0.00 175.76 174.01 2npb s VAL 5 N 4.15 2.07 -0.00 0.00 1.01 0.60 -0.94 120.40 127.29 2npb s VAL 5 Ca 0.53 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2npb s VAL 5 Cb -0.15 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2npb s VAL 5 CO 0.21 0.33 0.05 -0.60 0.00 0.00 0.00 175.10 175.09 2npb s ARG 6 N -1.27 0.26 -0.22 2.72 6.06 -0.17 -1.08 118.95 125.24 2npb s ARG 6 Ca 0.11 -0.26 -0.02 0.00 -2.50 0.00 0.00 55.73 53.07 2npb s ARG 6 Cb -0.10 0.10 0.07 0.00 0.06 0.00 0.00 34.95 35.08 2npb s ARG 6 CO 0.02 -0.05 0.02 0.08 -2.50 0.00 0.00 175.30 172.88 2npb s VAL 7 N -0.81 0.84 0.21 7.11 1.01 -0.86 -1.20 120.40 126.70 2npb s VAL 7 Ca -0.09 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2npb s VAL 7 Cb -0.05 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 2npb s VAL 7 CO 0.00 -0.26 1.02 -0.69 0.00 0.00 0.00 175.10 175.17 2npb s VAL 8 N 1.70 3.98 0.34 2.92 1.01 -0.99 -2.09 120.40 127.26 2npb s VAL 8 Ca -0.00 1.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 2npb s VAL 8 Cb -0.18 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2npb s VAL 8 CO -0.10 0.38 0.80 -0.47 0.00 0.00 0.00 175.10 175.71 2npb s TYR 9 N -0.70 0.05 0.44 5.22 5.04 -1.23 -0.93 117.35 125.24 2npb s TYR 9 Ca 0.45 -0.65 -0.21 0.00 -2.44 0.00 0.00 57.07 54.22 2npb s TYR 9 Cb -0.28 0.80 -0.11 0.00 0.35 0.00 0.00 41.96 42.72 2npb s TYR 9 CO 0.34 -1.43 0.96 -1.54 -1.34 0.00 0.00 175.55 172.54 2npb s SER 10 N -3.06 6.89 0.00 4.32 1.04 -1.26 -3.57 113.70 118.05 2npb s SER 10 Ca 0.15 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2npb s SER 10 Cb -0.05 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2npb s SER 10 CO 0.10 -0.39 1.01 0.61 0.98 0.00 0.00 173.24 175.54 2npb n GLY 11 N -0.63 1.53 2.23 7.32 0.00 -1.26 -4.78 105.19 109.61 2npb n GLY 11 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 1.41 5.03 -1.51 4.61 0.00 -1.26 -4.84 120.51 123.94 2npb n ALA 12 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.84 2npb n ALA 12 Cb 0.30 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 -2.11 0.13 0.37 0.00 0.00 -1.26 -4.87 105.19 97.46 2npb n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.23 0.03 1.61 -0.00 -1.90 -2.94 116.97 115.00 2npb h TYR 15 Ca -0.03 0.03 0.02 0.00 -0.00 0.00 0.00 58.73 58.75 2npb h TYR 15 Cb 0.93 -0.41 -0.04 0.00 -0.00 0.00 0.00 36.73 37.21 2npb h TYR 15 CO 0.57 0.71 -0.45 0.87 -0.00 0.00 0.00 178.16 179.86 2npb h LYS 16 N 1.27 -0.56 -0.44 0.10 1.79 -1.98 0.11 116.57 116.86 2npb h LYS 16 Ca 0.40 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.84 2npb h LYS 16 Cb 0.01 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2npb h LYS 16 CO -0.13 -0.37 0.01 -1.00 -1.08 0.00 0.00 179.45 176.88 2npb h PRO 17 N -0.58 0.72 -0.58 3.15 0.13 -1.98 -1.61 132.00 131.24 2npb h PRO 17 Ca 0.01 -0.18 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2npb h PRO 17 Cb 0.61 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 2npb h PRO 17 CO -0.28 0.72 0.27 0.87 -0.23 0.00 0.00 178.00 179.35 2npb h LYS 18 N 0.68 0.49 0.80 0.86 1.57 -1.30 -1.17 116.57 118.50 2npb h LYS 18 Ca 0.14 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2npb h LYS 18 Cb 0.41 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.61 2npb h LYS 18 CO 0.02 0.32 -0.38 1.88 -0.57 0.00 0.00 179.45 180.71 2npb h TYR 19 N 0.50 -1.00 -0.77 -1.35 -1.99 -0.59 -3.20 116.97 108.58 2npb h TYR 19 Ca 0.27 -0.02 0.14 0.00 2.00 0.00 0.00 58.73 61.12 2npb h TYR 19 Cb 0.24 0.33 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 2npb h TYR 19 CO -0.12 -0.61 0.51 -0.07 -0.00 0.00 0.00 178.16 177.87 2npb h LEU 20 N -1.10 0.46 -1.82 3.88 4.07 -1.06 0.12 115.31 119.87 2npb h LEU 20 Ca -0.11 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 2npb h LEU 20 Cb 0.83 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 2npb h LEU 20 CO 0.18 0.24 -0.14 -0.61 -1.08 0.00 0.00 178.44 177.03 2npb h GLN 21 N 0.49 0.00 0.00 1.13 -0.00 -1.21 0.27 115.11 115.79 2npb h GLN 21 Ca 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.02 2npb h GLN 21 Cb 0.77 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.25 2npb h GLN 21 CO -0.13 0.14 -0.06 1.25 0.00 0.00 0.00 178.83 180.03 2npb h LEU 22 N 0.00 0.00 0.20 -2.39 6.46 -1.46 -3.39 115.31 114.73 2npb h LEU 22 Ca -0.00 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2npb h LEU 22 Cb 0.36 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 2npb h LEU 22 CO 0.02 0.62 -0.27 0.50 -0.62 0.00 0.00 178.44 178.70 2npb h LYS 23 N -1.00 -0.50 0.00 1.25 3.11 0.15 -1.96 116.57 117.62 2npb h LYS 23 Ca -0.01 0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2npb h LYS 23 Cb 0.23 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2npb h LYS 23 CO -0.00 -0.34 -0.01 0.93 -2.81 0.00 0.00 179.45 177.22 2npb h GLU 24 N -0.52 0.00 0.14 1.90 3.07 -0.76 -0.73 114.58 117.68 2npb h GLU 24 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2npb h GLU 24 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2npb h GLU 24 CO -0.10 0.01 -0.07 -0.22 -1.40 0.00 0.00 179.01 177.24 2npb h LYS 25 N 0.00 -0.18 -0.60 2.33 1.63 -1.50 -2.98 116.57 115.27 2npb h LYS 25 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2npb h LYS 25 Cb 0.17 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 2npb h LYS 25 CO 0.00 0.27 0.37 -0.07 -3.45 0.00 0.00 179.45 176.57 2npb h LEU 26 N -0.85 0.71 -0.90 5.20 -0.00 -0.77 0.12 115.31 118.81 2npb h LEU 26 Ca -0.02 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.73 2npb h LEU 26 Cb 0.54 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2npb h LEU 26 CO 0.03 0.54 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.58 2npb h GLU 27 N 0.81 0.69 -0.67 1.13 5.08 -1.35 -0.56 114.58 119.71 2npb h GLU 27 Ca 0.22 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2npb h GLU 27 Cb -0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2npb h GLU 27 CO -0.04 0.78 0.19 1.25 -1.00 0.00 0.00 179.01 180.19 2npb h HIS 28 N 0.63 1.08 -0.25 4.33 2.76 -1.16 -2.09 115.15 120.44 2npb h HIS 28 Ca 0.11 -0.11 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 2npb h HIS 28 Cb 0.55 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 2npb h HIS 28 CO 0.03 0.86 -0.44 0.93 -1.30 0.00 0.00 177.93 178.01 2npb h GLU 29 N 1.00 0.75 -1.68 5.26 5.08 -0.71 -3.38 114.58 120.89 2npb h GLU 29 Ca 0.22 -0.46 -0.50 0.00 -1.00 0.00 0.00 59.36 57.61 2npb h GLU 29 Cb 0.31 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 29.20 2npb h GLU 29 CO -0.01 1.09 -0.95 1.19 -1.00 0.00 0.00 179.01 179.34 2npb n PHE 30 N -4.15 2.19 -1.90 4.33 3.72 -0.23 -5.08 117.46 116.34 2npb n PHE 30 Ca -0.05 -3.41 -0.42 0.00 -0.05 0.00 0.00 57.45 53.52 2npb n PHE 30 Cb 0.56 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 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 4.20 0.00 -1.08 0.04 -0.79 -1.97 135.00 132.25 2npb s PRO 31 Ca 0.41 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2npb s PRO 31 Cb 0.38 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2npb s PRO 31 CO -0.09 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2npb n GLY 32 N 3.90 0.00 0.01 0.56 0.00 -1.26 -4.62 105.19 103.77 2npb n GLY 32 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.15 2.38 -0.05 0.00 1.02 -0.83 -1.04 118.68 117.00 2npb s LEU 34 Ca 0.11 -0.78 0.04 0.00 0.02 0.00 0.00 54.13 53.51 2npb s LEU 34 Cb 0.14 -0.77 -0.03 0.00 0.02 0.00 0.00 46.19 45.56 2npb s LEU 34 CO 0.42 -0.03 -0.14 -0.62 0.02 0.00 0.00 176.35 176.00 2npb s ASP 35 N -2.33 4.02 -0.04 2.29 2.15 0.39 -4.83 116.67 118.32 2npb s ASP 35 Ca 0.10 -0.20 -0.01 0.00 0.43 0.00 0.00 52.55 52.87 2npb s ASP 35 Cb -0.07 -0.87 0.03 0.00 -0.30 0.00 0.00 42.92 41.71 2npb s ASP 35 CO 0.05 0.34 0.08 -0.63 -0.17 0.00 0.00 175.17 174.83 2npb s ILE 36 N -0.69 -0.09 0.27 4.11 1.01 -1.26 -0.29 121.20 124.26 2npb s ILE 36 Ca 0.11 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2npb s ILE 36 Cb -0.11 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 2npb s ILE 36 CO 0.01 0.11 0.15 0.00 0.00 0.00 0.00 174.94 175.21 2npb s GLY 38 N -2.73 -0.10 -0.35 0.00 0.00 -1.26 -2.02 107.32 100.86 2npb s GLY 38 Ca 0.21 0.07 0.02 0.00 0.00 0.00 0.00 44.72 45.02 2npb s GLY 38 CO 0.15 -0.13 0.36 1.85 0.00 0.00 0.00 173.10 175.32 2npb s GLU 39 N -2.05 0.55 0.00 2.90 2.12 -0.89 -4.95 118.70 116.38 2npb s GLU 39 Ca -0.09 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2npb s GLU 39 Cb -0.03 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.66 2npb s GLU 39 CO -0.00 -1.15 0.90 0.41 -0.54 0.00 0.00 175.26 174.87 2npb n GLY 40 N 4.54 1.56 2.41 -1.50 0.00 -1.26 -3.73 105.19 107.21 2npb n GLY 40 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 0.89 0.63 1.46 2.61 5.66 -1.23 -4.55 114.28 119.75 2npb n THR 41 Ca 0.00 -4.47 0.03 0.00 -3.05 0.00 0.00 64.05 56.56 2npb n THR 41 Cb 0.36 -1.99 0.16 0.00 -1.55 0.00 0.00 70.33 67.30 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 1.53 0.73 0.00 1.09 -0.04 -1.26 -4.89 135.00 132.16 2npb n PRO 42 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2npb n PRO 42 Cb 0.45 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.61 0.00 -3.98 0.54 6.02 -1.26 -4.82 117.38 113.27 2npb n GLN 43 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 2npb n GLN 43 Cb 0.02 -0.42 -0.12 0.00 1.02 0.00 0.00 30.24 30.74 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 0.00 0.17 0.00 5.09 1.01 -1.26 -5.05 120.40 120.35 2npb s VAL 44 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2npb s VAL 44 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2npb s VAL 44 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.10 175.16 2npb n THR 45 N 1.94 0.00 0.00 3.92 -1.04 -1.26 -4.15 114.28 113.70 2npb n THR 45 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2npb n THR 45 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2npb n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2npb n GLY 46 N 0.00 -0.78 3.59 3.41 0.00 -1.26 -4.84 105.19 105.31 2npb n GLY 46 Ca 0.00 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 2.51 -0.67 1.61 0.08 -1.26 -4.43 117.98 115.83 2npb s PHE 47 Ca 0.00 0.63 -0.27 0.00 0.12 0.00 0.00 56.93 57.41 2npb s PHE 47 Cb 0.00 -4.38 -0.00 0.00 -0.57 0.00 0.00 43.02 38.07 2npb s PHE 47 CO 0.00 -1.75 1.63 0.12 -0.10 0.00 0.00 175.22 175.12 2npb s PHE 48 N 5.24 1.91 -0.20 0.36 2.19 -1.25 -3.52 117.98 122.72 2npb s PHE 48 Ca 0.54 0.44 0.01 0.00 0.33 0.00 0.00 56.93 58.26 2npb s PHE 48 Cb -0.11 -4.31 0.04 0.00 -1.31 0.00 0.00 43.02 37.33 2npb s PHE 48 CO 0.31 -2.21 -0.12 -1.21 1.83 0.00 0.00 175.22 173.82 2npb s GLU 49 N 6.51 2.18 -0.25 10.12 2.02 -0.10 -1.25 118.70 137.93 2npb s GLU 49 Ca 0.54 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.59 2npb s GLU 49 Cb -0.11 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 2npb s GLU 49 CO 0.18 -0.40 0.10 0.08 0.02 0.00 0.00 175.26 175.25 2npb s VAL 50 N 1.37 4.64 0.07 2.63 1.01 -0.46 -2.36 120.40 127.30 2npb s VAL 50 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2npb s VAL 50 Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2npb s VAL 50 CO -0.09 0.33 -0.22 -0.89 0.00 0.00 0.00 175.10 174.23 2npb s THR 51 N 1.51 1.79 -0.04 3.92 2.01 -0.34 -0.55 115.64 123.94 2npb s THR 51 Ca 0.06 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.72 2npb s THR 51 Cb -0.15 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.80 2npb s THR 51 CO 0.05 0.15 -0.05 0.54 -0.69 0.00 0.00 174.62 174.63 2npb s VAL 52 N -0.91 0.51 -0.75 3.82 0.11 -0.30 -1.00 120.40 121.88 2npb s VAL 52 Ca 0.08 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2npb s VAL 52 Cb -0.09 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2npb s VAL 52 CO 0.03 0.21 0.08 0.00 -3.33 0.00 0.00 175.10 172.09 2npb n ALA 53 N 3.86 -0.90 -0.86 1.54 0.00 -0.12 -0.93 120.51 123.09 2npb n ALA 53 Ca -0.24 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2npb n ALA 53 Cb 0.52 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.76 0.53 2.83 0.00 0.00 -1.26 -5.06 105.19 101.47 2npb n GLY 54 Ca -0.07 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.75 1.10 0.24 1.61 1.02 -0.11 -5.12 119.74 116.73 2npb s LYS 55 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2npb s LYS 55 Cb 0.00 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 2npb s LYS 55 CO 0.00 -0.65 1.32 -1.17 -0.92 0.00 0.00 175.35 173.94 2npb s LEU 56 N 1.63 4.42 -0.03 3.17 0.20 -1.26 -1.15 118.68 125.65 2npb s LEU 56 Ca -0.02 2.51 0.04 0.00 0.69 0.00 0.00 54.13 57.35 2npb s LEU 56 Cb -0.18 -3.62 -0.06 0.00 -0.43 0.00 0.00 46.19 41.90 2npb s LEU 56 CO -0.08 -0.54 0.04 0.52 -0.29 0.00 0.00 176.35 176.00 2npb n VAL 57 N 2.12 0.23 -3.88 1.68 0.31 0.28 -4.96 118.33 114.11 2npb n VAL 57 Ca 0.05 -0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.09 2npb n VAL 57 Cb 0.42 -0.54 -0.10 0.00 -0.91 0.00 0.00 33.84 32.72 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 -2.17 0.05 -0.31 3.52 5.65 -1.14 -5.00 115.29 115.89 2npb s HIS 58 Ca -0.02 -0.15 0.02 0.00 0.25 0.00 0.00 55.06 55.15 2npb s HIS 58 Cb 0.02 -0.05 0.19 0.00 -1.18 0.00 0.00 32.58 31.56 2npb s HIS 58 CO 0.19 -0.28 0.72 -1.12 -0.65 0.00 0.00 174.74 173.60 2npb s SER 59 N -1.39 -1.28 0.63 9.88 0.01 -1.25 -1.35 113.70 118.94 2npb s SER 59 Ca -0.15 0.01 0.36 0.00 1.31 0.00 0.00 55.95 57.49 2npb s SER 59 Cb -0.08 1.78 2.02 0.00 0.21 0.00 0.00 66.02 69.95 2npb s SER 59 CO 0.01 -0.22 2.23 0.11 0.41 0.00 0.00 173.24 175.78 2npb h LYS 60 N 7.58 0.00 0.00 12.44 1.79 -1.37 -1.36 116.57 135.64 2npb h LYS 60 Ca -0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2npb h LYS 60 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2npb h LYS 60 CO 0.08 0.00 -0.16 1.57 -1.08 0.00 0.00 179.45 179.85 2npb h LYS 61 N 0.00 0.00 0.00 3.15 2.10 -1.93 -3.16 116.57 116.72 2npb h LYS 61 Ca 0.02 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.44 2npb h LYS 61 Cb 0.20 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.49 2npb h LYS 61 CO -0.00 0.16 -2.03 2.89 -2.00 0.00 0.00 179.45 178.48 2npb n ARG 62 N -3.58 0.66 -0.69 0.07 1.85 -0.58 -5.03 116.66 109.36 2npb n ARG 62 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2npb n ARG 62 Cb 0.30 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 2npb n ARG 62 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2npb n GLY 63 N 1.53 0.81 0.25 2.89 0.00 -0.78 -5.01 105.19 104.88 2npb n GLY 63 Ca -0.19 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.67 2npb n GLY 63 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2npb h ASP 64 N 0.00 -0.20 -5.00 1.61 3.32 -1.82 -3.50 116.42 110.83 2npb h ASP 64 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2npb h ASP 64 Cb 0.30 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2npb h ASP 64 CO 0.00 -0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.03 2npb n GLY 65 N -1.37 -1.15 0.00 2.75 0.00 -1.26 -4.97 105.19 99.19 2npb n GLY 65 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.23 -1.02 -2.40 1.61 4.01 -1.26 -4.36 117.16 113.51 2npb n TYR 66 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2npb n TYR 66 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.07 3.92 -0.53 -0.72 -7.23 -1.26 -4.80 120.40 109.71 2npb s VAL 67 Ca 0.00 -1.57 0.25 0.00 -1.81 0.00 0.00 61.98 58.86 2npb s VAL 67 Cb 0.00 -4.98 0.28 0.00 0.56 0.00 0.00 36.38 32.23 2npb s VAL 67 CO 0.00 -1.67 1.75 0.44 -0.31 0.00 0.00 175.10 175.31 2npb h ASP 68 N 8.33 0.00 -5.11 4.85 3.32 -1.93 -3.43 116.42 122.45 2npb h ASP 68 Ca 0.37 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.36 2npb h ASP 68 Cb 0.89 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.32 2npb h ASP 68 CO 1.38 0.00 -0.12 -0.89 -1.72 0.00 0.00 179.24 177.89 2npb s THR 69 N -3.26 0.07 0.13 0.35 2.01 -1.26 -5.02 115.64 108.66 2npb s THR 69 Ca 0.06 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 2npb s THR 69 Cb 0.10 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 2npb s THR 69 CO 0.49 -0.31 1.60 -0.08 -0.69 0.00 0.00 174.62 175.63 2npb h GLU 70 N 2.40 -0.41 0.00 4.92 4.22 -1.99 0.16 114.58 123.88 2npb h GLU 70 Ca -0.33 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.12 2npb h GLU 70 Cb 1.25 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2npb h GLU 70 CO 0.46 -0.27 -0.13 1.03 -2.18 0.00 0.00 179.01 177.92 2npb h SER 71 N -0.43 0.00 0.01 1.04 0.87 -1.97 0.19 113.55 113.25 2npb h SER 71 Ca 0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2npb h SER 71 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2npb h SER 71 CO -0.35 0.13 -0.00 0.50 -0.53 0.00 0.00 176.83 176.57 2npb h LYS 72 N 0.00 -0.01 0.17 2.24 3.64 -1.69 -3.12 116.57 117.80 2npb h LYS 72 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2npb h LYS 72 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2npb h LYS 72 CO 0.02 0.69 -0.13 0.35 -2.27 0.00 0.00 179.45 178.11 2npb h PHE 73 N -0.72 -0.33 -0.07 1.91 3.57 0.12 -2.80 116.94 118.61 2npb h PHE 73 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2npb h PHE 73 Cb 0.70 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 2npb h PHE 73 CO 0.17 -0.20 0.15 -0.09 -2.23 0.00 0.00 178.31 176.11 2npb h ARG 74 N -0.30 0.00 -0.68 1.11 2.43 -0.81 0.91 114.38 117.02 2npb h ARG 74 Ca -0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2npb h ARG 74 Cb 0.27 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2npb h ARG 74 CO -0.00 0.00 0.16 -0.22 -1.51 0.00 0.00 179.97 178.40 2npb h LYS 75 N 0.00 1.09 0.05 0.20 1.63 -1.43 0.39 116.57 118.51 2npb h LYS 75 Ca 0.04 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2npb h LYS 75 Cb 0.33 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2npb h LYS 75 CO -0.00 0.97 -0.02 1.25 -3.45 0.00 0.00 179.45 178.20 2npb h LEU 76 N 1.04 -0.06 -0.71 5.20 5.85 -0.91 -2.67 115.31 123.05 2npb h LEU 76 Ca 0.22 -0.58 0.11 0.00 0.84 0.00 0.00 57.88 58.47 2npb h LEU 76 Cb 0.37 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2npb h LEU 76 CO 0.00 0.59 0.32 0.58 -0.34 0.00 0.00 178.44 179.59 2npb h VAL 77 N -0.75 0.78 -0.54 1.05 2.07 -1.31 0.12 116.25 117.66 2npb h VAL 77 Ca -0.01 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2npb h VAL 77 Cb 0.63 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2npb h VAL 77 CO 0.01 0.10 0.05 0.74 0.02 0.00 0.00 177.57 178.49 2npb h THR 78 N 0.53 1.25 -0.03 2.57 2.02 -1.00 0.27 112.91 118.52 2npb h THR 78 Ca 0.36 -0.98 -0.20 0.00 0.77 0.00 0.00 66.41 66.37 2npb h THR 78 Cb 0.45 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2npb h THR 78 CO -0.31 0.35 -0.83 0.00 0.37 0.00 0.00 175.52 175.10 2npb h ALA 79 N 1.22 0.52 -0.04 6.16 0.00 -0.78 -1.90 119.26 124.45 2npb h ALA 79 Ca 0.17 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 2npb h ALA 79 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2npb h ALA 79 CO 0.01 0.83 -0.75 0.82 0.00 0.00 0.00 179.25 180.16 2npb h ILE 80 N 0.19 1.44 -0.38 0.00 1.08 -0.69 -0.66 117.51 118.48 2npb h ILE 80 Ca -0.05 -2.30 -0.03 0.00 -0.39 0.00 0.00 64.86 62.09 2npb h ILE 80 Cb 1.44 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 37.41 2npb h ILE 80 CO 0.14 0.68 0.11 0.50 -0.69 0.00 0.00 178.15 178.88 2npb h LYS 81 N 0.16 0.60 -0.07 2.37 3.11 -0.81 0.11 116.57 122.04 2npb h LYS 81 Ca -0.03 -0.13 -0.00 0.00 -2.81 0.00 0.00 60.65 57.68 2npb h LYS 81 Cb 1.32 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.46 2npb h LYS 81 CO 0.12 0.61 0.03 0.00 -2.81 0.00 0.00 179.45 177.40 2npb h ALA 82 N 0.96 0.09 -0.95 5.00 0.00 -1.27 -1.49 119.26 121.60 2npb h ALA 82 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2npb h ALA 82 Cb 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2npb h ALA 82 CO -0.00 -0.35 0.63 0.00 0.00 0.00 0.00 179.25 179.52 2npb h ALA 83 N 0.90 1.21 0.24 0.00 0.00 -0.95 -1.97 119.26 118.69 2npb h ALA 83 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2npb h ALA 83 Cb 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2npb h ALA 83 CO -0.00 0.57 -0.11 1.25 0.00 0.00 0.00 179.25 180.96 2npb h LEU 84 N 1.26 -0.27 -1.89 0.00 7.12 -0.68 -0.48 115.31 120.38 2npb h LEU 84 Ca 0.35 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.35 2npb h LEU 84 Cb -0.11 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2npb h LEU 84 CO -0.09 -0.16 0.00 0.00 -0.13 0.00 0.00 178.44 178.06 2npb h ALA 85 N 0.41 1.00 0.00 1.25 0.00 -1.04 0.14 119.26 121.01 2npb h ALA 85 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2npb h ALA 85 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2npb h ALA 85 CO 0.05 0.00 -0.11 0.37 0.00 0.00 0.00 179.25 179.57 2npb h GLN 86 N 0.00 0.00 0.00 0.00 4.15 -0.97 -3.38 115.11 114.91 2npb h GLN 86 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2npb h GLN 86 Cb 0.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2npb h GLN 86 CO 0.00 0.62 -0.13 0.00 -1.93 0.00 0.00 178.83 177.39