#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 -0.84 0.30 3.17 0.00 -1.26 -4.95 121.76 118.18 2npb s ALA 2 Ca 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 51.49 2npb s ALA 2 Cb 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2npb s ALA 2 CO 0.00 -0.98 -0.10 -0.51 0.00 0.00 0.00 175.76 174.17 2npb s LEU 3 N -2.99 2.83 -0.07 0.00 2.01 -0.40 -4.99 118.68 115.08 2npb s LEU 3 Ca 0.15 -0.96 0.01 0.00 0.01 0.00 0.00 54.13 53.35 2npb s LEU 3 Cb -0.05 -1.28 0.02 0.00 0.01 0.00 0.00 46.19 44.89 2npb s LEU 3 CO 0.09 -0.06 -0.08 0.00 1.01 0.00 0.00 176.35 177.31 2npb s ALA 4 N -2.48 1.02 0.03 4.21 0.00 -1.26 -0.53 121.76 122.74 2npb s ALA 4 Ca 0.32 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2npb s ALA 4 Cb -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2npb s ALA 4 CO 0.17 -0.06 -0.07 0.08 0.00 0.00 0.00 175.76 175.89 2npb s VAL 5 N 1.01 0.47 0.19 0.00 1.01 0.07 -0.69 120.40 122.45 2npb s VAL 5 Ca -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2npb s VAL 5 Cb -0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2npb s VAL 5 CO -0.00 -0.25 -0.00 -0.13 0.00 0.00 0.00 175.10 174.71 2npb s ARG 6 N -1.16 1.16 -0.34 2.72 3.00 -0.03 -0.59 118.95 123.72 2npb s ARG 6 Ca -0.07 -1.56 0.04 0.00 0.00 0.00 0.00 55.73 54.13 2npb s ARG 6 Cb -0.08 -0.36 0.16 0.00 0.00 0.00 0.00 34.95 34.68 2npb s ARG 6 CO 0.00 -0.12 0.44 0.08 0.00 0.00 0.00 175.30 175.71 2npb s VAL 7 N -3.59 -0.62 -0.05 3.52 1.01 -1.04 -1.82 120.40 117.81 2npb s VAL 7 Ca 0.25 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2npb s VAL 7 Cb 0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2npb s VAL 7 CO 0.05 -0.32 0.96 0.54 0.00 0.00 0.00 175.10 176.33 2npb s VAL 8 N 2.07 4.86 0.33 2.92 0.11 -0.25 -0.44 120.40 130.01 2npb s VAL 8 Ca 0.13 1.98 -0.17 0.00 -2.93 0.00 0.00 61.98 60.99 2npb s VAL 8 Cb -0.12 -4.29 0.03 0.00 -1.53 0.00 0.00 36.38 30.48 2npb s VAL 8 CO -0.17 0.11 0.72 -0.47 -3.33 0.00 0.00 175.10 171.96 2npb s TYR 9 N 1.36 0.05 -0.10 1.54 5.04 -1.19 -0.92 117.35 123.12 2npb s TYR 9 Ca 0.49 -0.59 -0.30 0.00 -2.44 0.00 0.00 57.07 54.23 2npb s TYR 9 Cb -0.20 0.70 -0.02 0.00 0.35 0.00 0.00 41.96 42.79 2npb s TYR 9 CO 0.23 -1.37 1.19 0.45 -1.34 0.00 0.00 175.55 174.71 2npb s SER 10 N -3.01 7.04 0.00 4.32 0.15 -1.26 -0.89 113.70 120.04 2npb s SER 10 Ca 0.15 1.72 0.08 0.00 0.70 0.00 0.00 55.95 58.60 2npb s SER 10 Cb -0.05 -2.55 0.49 0.00 -1.71 0.00 0.00 66.02 62.20 2npb s SER 10 CO 0.10 -0.63 0.99 0.61 1.20 0.00 0.00 173.24 175.51 2npb n GLY 11 N 3.41 -0.32 0.23 9.45 0.00 0.02 -4.44 105.19 113.55 2npb n GLY 11 Ca 0.12 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 2.51 0.97 -2.53 4.61 0.00 -1.86 -3.38 119.26 119.58 2npb h ALA 12 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 2npb h ALA 12 Cb 0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.41 2npb h ALA 12 CO 0.00 0.10 -0.81 0.00 0.00 0.00 0.00 179.25 178.54 2npb n GLY 14 N 4.35 0.98 0.34 0.00 0.00 -1.26 -4.89 105.19 104.70 2npb n GLY 14 Ca 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.05 0.34 1.61 -0.00 -1.86 -3.00 116.97 115.12 2npb h TYR 15 Ca -0.42 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.33 2npb h TYR 15 Cb 1.30 -0.34 -0.01 0.00 -0.00 0.00 0.00 36.73 37.68 2npb h TYR 15 CO 0.54 0.53 -0.24 -0.22 -0.00 0.00 0.00 178.16 178.77 2npb h LYS 16 N 1.03 -0.55 -0.26 0.10 3.11 -1.90 0.18 116.57 118.28 2npb h LYS 16 Ca 0.40 0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 58.21 2npb h LYS 16 Cb 0.19 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2npb h LYS 16 CO -0.18 -0.36 -0.11 -1.00 -2.81 0.00 0.00 179.45 174.98 2npb h PRO 17 N -0.57 0.42 -0.34 1.90 0.13 -1.99 -1.65 132.00 129.91 2npb h PRO 17 Ca -0.03 -0.11 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2npb h PRO 17 Cb 0.48 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.52 2npb h PRO 17 CO 0.02 0.54 0.06 -0.22 -0.23 0.00 0.00 178.00 178.17 2npb h LYS 18 N 0.40 0.17 0.50 0.86 1.63 -1.24 -0.98 116.57 117.90 2npb h LYS 18 Ca 0.08 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2npb h LYS 18 Cb 0.44 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2npb h LYS 18 CO 0.02 0.11 -0.39 1.88 -3.45 0.00 0.00 179.45 177.63 2npb h TYR 19 N 0.18 -1.03 -0.79 1.91 -1.99 -0.59 -3.17 116.97 111.48 2npb h TYR 19 Ca 0.16 -0.00 0.16 0.00 2.00 0.00 0.00 58.73 61.05 2npb h TYR 19 Cb 0.18 0.39 -0.10 0.00 2.00 0.00 0.00 36.73 39.20 2npb h TYR 19 CO -0.19 -0.56 0.32 -0.07 -0.00 0.00 0.00 178.16 177.66 2npb h LEU 20 N -0.87 0.27 -1.18 3.88 3.38 -0.90 0.14 115.31 120.04 2npb h LEU 20 Ca -0.05 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2npb h LEU 20 Cb 0.74 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2npb h LEU 20 CO 0.00 0.07 0.00 -0.61 0.09 0.00 0.00 178.44 178.00 2npb h GLN 21 N 0.43 0.00 0.00 1.13 -0.00 -1.16 0.39 115.11 115.91 2npb h GLN 21 Ca 0.45 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.76 2npb h GLN 21 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.16 2npb h GLN 21 CO -0.44 0.00 -1.85 -0.11 0.00 0.00 0.00 178.83 176.43 2npb n LEU 22 N -2.37 1.92 0.35 -2.39 0.00 -0.68 -4.52 117.00 109.32 2npb n LEU 22 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 56.01 56.25 2npb n LEU 22 Cb 0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 43.42 42.60 2npb n LEU 22 CO 0.17 0.42 0.48 0.11 0.00 0.00 0.00 177.39 178.57 2npb h LYS 23 N -0.98 -0.87 -0.98 1.96 1.79 0.35 -2.65 116.57 115.20 2npb h LYS 23 Ca -0.51 0.06 0.30 0.00 -2.18 0.00 0.00 60.65 58.32 2npb h LYS 23 Cb 1.46 0.20 -0.18 0.00 -1.58 0.00 0.00 32.23 32.13 2npb h LYS 23 CO -0.30 -0.58 0.16 1.49 -1.08 0.00 0.00 179.45 179.14 2npb h GLU 24 N -0.97 0.03 0.19 3.15 4.81 -0.49 0.12 114.58 121.41 2npb h GLU 24 Ca -0.09 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2npb h GLU 24 Cb 0.69 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2npb h GLU 24 CO 0.15 0.02 -0.09 0.87 -0.73 0.00 0.00 179.01 179.23 2npb h LYS 25 N 0.03 -0.24 0.16 1.92 6.56 -1.65 0.41 116.57 123.75 2npb h LYS 25 Ca 0.65 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 60.25 2npb h LYS 25 Cb 1.43 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.14 2npb h LYS 25 CO -0.86 0.00 -0.12 -0.07 -2.06 0.00 0.00 179.45 176.35 2npb h LEU 26 N -0.47 -0.30 -2.02 2.94 -0.00 -0.91 -0.25 115.31 114.29 2npb h LEU 26 Ca -0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2npb h LEU 26 Cb 0.36 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2npb h LEU 26 CO 0.04 -0.19 -0.06 -0.33 -0.00 0.00 0.00 178.44 177.91 2npb h GLU 27 N -0.28 0.00 -0.35 1.13 5.08 -0.86 -1.52 114.58 117.78 2npb h GLU 27 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2npb h GLU 27 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2npb h GLU 27 CO -0.01 0.06 -0.13 1.25 -1.00 0.00 0.00 179.01 179.18 2npb h HIS 28 N 0.00 0.81 -0.97 4.33 2.76 -0.64 -2.02 115.15 119.42 2npb h HIS 28 Ca -0.00 -0.19 0.06 0.00 -2.20 0.00 0.00 60.37 58.04 2npb h HIS 28 Cb 0.11 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 2npb h HIS 28 CO 0.00 0.89 0.63 1.49 -1.30 0.00 0.00 177.93 179.64 2npb h GLU 29 N 0.50 1.10 -0.93 5.26 4.57 -0.07 -3.39 114.58 121.62 2npb h GLU 29 Ca 0.08 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 2npb h GLU 29 Cb 0.65 -0.25 -0.16 0.00 -0.16 0.00 0.00 28.75 28.83 2npb h GLU 29 CO 0.04 0.73 -0.45 -0.59 -1.18 0.00 0.00 179.01 177.56 2npb s PHE 30 N -6.00 -1.52 0.28 0.92 -0.12 -0.76 -5.09 117.98 105.69 2npb s PHE 30 Ca -0.12 -0.42 -0.29 0.00 -0.05 0.00 0.00 56.93 56.05 2npb s PHE 30 Cb 0.20 0.30 -0.10 0.00 -0.63 0.00 0.00 43.02 42.79 2npb s PHE 30 CO 0.81 -1.17 1.28 -1.25 -0.05 0.00 0.00 175.22 174.83 2npb s PRO 31 N 1.02 4.41 0.00 1.99 0.04 -0.76 -3.81 135.00 137.90 2npb s PRO 31 Ca 0.27 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2npb s PRO 31 Cb 0.01 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2npb s PRO 31 CO -0.06 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2npb n GLY 32 N 1.44 1.59 0.10 0.56 0.00 -1.26 -4.62 105.19 103.01 2npb n GLY 32 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.06 2.22 -0.02 0.00 1.02 -1.25 -1.28 118.68 115.32 2npb s LEU 34 Ca 0.03 -0.57 -0.14 0.00 0.02 0.00 0.00 54.13 53.47 2npb s LEU 34 Cb 0.08 -0.84 -0.05 0.00 0.02 0.00 0.00 46.19 45.39 2npb s LEU 34 CO 0.28 0.08 0.37 -0.62 0.02 0.00 0.00 176.35 176.49 2npb s ASP 35 N -1.47 6.75 -0.11 2.29 2.15 0.31 -4.93 116.67 121.66 2npb s ASP 35 Ca 0.05 0.89 -0.04 0.00 0.43 0.00 0.00 52.55 53.89 2npb s ASP 35 Cb -0.09 -2.23 0.06 0.00 -0.30 0.00 0.00 42.92 40.36 2npb s ASP 35 CO 0.03 0.33 0.22 -0.63 -0.17 0.00 0.00 175.17 174.94 2npb s ILE 36 N -1.03 -0.34 0.00 4.11 1.01 -1.26 -0.75 121.20 122.94 2npb s ILE 36 Ca 0.23 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2npb s ILE 36 Cb -0.16 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2npb s ILE 36 CO 0.12 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.19 2npb s GLY 38 N -0.68 -0.34 -0.73 0.00 0.00 -1.26 -2.50 107.32 101.81 2npb s GLY 38 Ca 0.00 1.35 -0.02 0.00 0.00 0.00 0.00 44.72 46.04 2npb s GLY 38 CO 0.00 0.44 2.15 1.18 0.00 0.00 0.00 173.10 176.87 2npb n GLU 39 N -0.17 2.64 -2.08 2.90 4.71 0.42 -4.82 120.64 124.23 2npb n GLU 39 Ca -0.03 -3.20 -0.28 0.00 -0.01 0.00 0.00 57.16 53.64 2npb n GLU 39 Cb 0.59 -2.22 -0.06 0.00 -1.01 0.00 0.00 31.44 28.74 2npb n GLU 39 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2npb s GLY 40 N -0.94 0.22 0.25 0.62 0.00 -1.25 -3.17 107.32 103.05 2npb s GLY 40 Ca 0.55 -2.05 0.09 0.00 0.00 0.00 0.00 44.72 43.31 2npb s GLY 40 CO -0.29 3.51 -0.03 -0.51 0.00 0.00 0.00 173.10 175.79 2npb s THR 41 N 10.58 3.39 -1.27 0.90 -4.23 -0.07 -4.29 115.64 120.64 2npb s THR 41 Ca 0.68 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.13 2npb s THR 41 Cb -0.02 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 71.06 2npb s THR 41 CO 0.10 -0.32 1.81 -0.81 -0.54 0.00 0.00 174.62 174.86 2npb n PRO 42 N -0.71 2.78 -4.08 3.99 -0.04 -1.26 -0.80 135.00 134.87 2npb n PRO 42 Ca -0.07 -3.04 -0.11 0.00 -0.04 0.00 0.00 63.50 60.24 2npb n PRO 42 Cb 0.58 -3.54 -0.11 0.00 -0.04 0.00 0.00 33.50 30.40 2npb n PRO 42 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2npb s GLN 43 N 4.73 0.59 0.32 0.54 0.74 -1.26 -5.03 119.66 120.29 2npb s GLN 43 Ca 0.57 -0.97 0.13 0.00 0.05 0.00 0.00 55.36 55.14 2npb s GLN 43 Cb 0.03 -0.12 0.51 0.00 1.10 0.00 0.00 33.01 34.53 2npb s GLN 43 CO 0.09 -0.01 1.68 0.28 -0.55 0.00 0.00 175.29 176.78 2npb h VAL 44 N 3.87 1.29 -0.85 1.34 2.07 -2.00 -3.43 116.25 118.54 2npb h VAL 44 Ca -0.35 -1.82 -0.45 0.00 0.82 0.00 0.00 66.70 64.91 2npb h VAL 44 Cb 1.18 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 2npb h VAL 44 CO 0.52 0.51 1.21 -0.89 0.02 0.00 0.00 177.57 178.93 2npb s THR 45 N -3.73 3.70 -0.04 2.57 2.01 -1.26 -4.89 115.64 114.00 2npb s THR 45 Ca -0.01 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2npb s THR 45 Cb 0.13 -4.59 -0.21 0.00 0.01 0.00 0.00 72.50 67.84 2npb s THR 45 CO 0.74 -1.43 2.92 0.61 -0.69 0.00 0.00 174.62 176.77 2npb n GLY 46 N 6.60 2.59 3.55 4.40 0.00 -1.26 -4.42 105.19 116.66 2npb n GLY 46 Ca 0.39 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 1.49 2.02 -0.86 1.61 -0.71 -1.26 -4.80 117.98 115.46 2npb s PHE 47 Ca 0.52 0.23 -0.25 0.00 -1.04 0.00 0.00 56.93 56.39 2npb s PHE 47 Cb 0.25 -4.33 0.04 0.00 -1.21 0.00 0.00 43.02 37.77 2npb s PHE 47 CO -0.00 -2.04 1.35 0.12 -1.34 0.00 0.00 175.22 173.31 2npb s PHE 48 N 7.73 2.40 -0.05 3.49 2.19 -1.25 -3.93 117.98 128.55 2npb s PHE 48 Ca 0.56 -0.41 0.04 0.00 0.33 0.00 0.00 56.93 57.45 2npb s PHE 48 Cb -0.08 -4.65 0.00 0.00 -1.31 0.00 0.00 43.02 36.98 2npb s PHE 48 CO 0.08 -2.01 -0.17 -1.21 1.83 0.00 0.00 175.22 173.74 2npb s GLU 49 N 5.37 1.91 -0.13 10.12 2.02 -0.10 -0.95 118.70 136.95 2npb s GLU 49 Ca 0.40 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.81 2npb s GLU 49 Cb -0.05 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.58 2npb s GLU 49 CO 0.04 0.20 -0.22 0.08 0.02 0.00 0.00 175.26 175.38 2npb s VAL 50 N 0.19 2.14 -0.00 2.63 1.01 -0.81 -1.09 120.40 124.48 2npb s VAL 50 Ca -0.08 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2npb s VAL 50 Cb -0.13 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2npb s VAL 50 CO 0.03 0.55 -0.13 0.42 0.00 0.00 0.00 175.10 175.97 2npb s THR 51 N 0.65 1.02 -0.09 3.92 -4.23 -0.76 -0.70 115.64 115.45 2npb s THR 51 Ca -0.11 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2npb s THR 51 Cb -0.16 -0.86 0.02 0.00 1.34 0.00 0.00 72.50 72.84 2npb s THR 51 CO 0.02 0.25 -0.07 0.54 -0.54 0.00 0.00 174.62 174.82 2npb s VAL 52 N -0.36 0.89 -0.75 2.29 0.11 0.22 -0.85 120.40 121.95 2npb s VAL 52 Ca 0.05 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2npb s VAL 52 Cb -0.05 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 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 4.66 -0.79 -0.58 1.54 0.00 0.14 -0.36 120.51 125.12 2npb n ALA 53 Ca -0.15 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2npb n ALA 53 Cb 0.50 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.67 0.73 3.40 0.00 0.00 -1.26 -5.06 105.19 102.32 2npb n GLY 54 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.42 3.30 0.31 1.61 -0.14 0.51 -5.10 119.74 119.82 2npb s LYS 55 Ca 0.00 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.60 2npb s LYS 55 Cb 0.00 -3.43 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 2npb s LYS 55 CO 0.00 -0.38 1.40 -1.17 -0.76 0.00 0.00 175.35 174.44 2npb s LEU 56 N 1.56 4.39 0.00 3.17 0.20 -1.26 -0.61 118.68 126.13 2npb s LEU 56 Ca 0.04 2.76 0.00 0.00 0.69 0.00 0.00 54.13 57.62 2npb s LEU 56 Cb -0.17 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 41.95 2npb s LEU 56 CO 0.04 -0.67 0.00 0.52 -0.29 0.00 0.00 176.35 175.95 2npb n VAL 57 N 1.35 0.00 -3.97 1.68 0.31 0.12 -4.94 118.33 112.87 2npb n VAL 57 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 2npb n VAL 57 Cb 0.41 0.30 -0.11 0.00 -0.91 0.00 0.00 33.84 33.53 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 -1.85 0.25 -0.29 3.52 5.65 -1.12 -4.99 115.29 116.46 2npb s HIS 58 Ca 0.00 -0.54 -0.07 0.00 0.25 0.00 0.00 55.06 54.70 2npb s HIS 58 Cb 0.00 -0.19 0.14 0.00 -1.18 0.00 0.00 32.58 31.35 2npb s HIS 58 CO 0.00 -0.24 0.60 0.45 -0.65 0.00 0.00 174.74 174.90 2npb s SER 59 N -1.68 -1.05 0.49 9.88 0.15 -1.26 -1.91 113.70 118.32 2npb s SER 59 Ca -0.12 1.30 0.27 0.00 0.70 0.00 0.00 55.95 58.10 2npb s SER 59 Cb -0.07 2.12 1.21 0.00 -1.71 0.00 0.00 66.02 67.57 2npb s SER 59 CO -0.02 -0.23 1.95 0.11 1.20 0.00 0.00 173.24 176.25 2npb h LYS 60 N 8.03 0.00 0.03 5.44 1.79 -1.41 0.92 116.57 131.37 2npb h LYS 60 Ca -0.19 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.06 2npb h LYS 60 Cb 1.12 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2npb h LYS 60 CO 0.15 0.16 -1.03 1.57 -1.08 0.00 0.00 179.45 179.21 2npb h LYS 61 N 0.00 0.08 0.00 3.15 2.10 -1.90 -3.31 116.57 116.69 2npb h LYS 61 Ca -0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2npb h LYS 61 Cb 0.55 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2npb h LYS 61 CO 0.02 1.03 -0.09 0.07 -2.00 0.00 0.00 179.45 178.48 2npb h ARG 62 N 0.03 0.00 0.00 0.07 -0.00 -1.96 -3.48 114.38 109.04 2npb h ARG 62 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2npb h ARG 62 Cb 1.76 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.73 2npb h ARG 62 CO 0.15 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.53 2npb n GLY 63 N 1.14 1.70 0.09 0.08 0.00 -1.11 -5.04 105.19 102.04 2npb n GLY 63 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.08 -3.83 1.61 3.58 -1.08 -3.50 116.42 113.13 2npb h ASP 64 Ca 0.00 -0.50 0.12 0.00 0.42 0.00 0.00 57.03 57.07 2npb h ASP 64 Cb 0.00 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.00 2npb h ASP 64 CO 0.00 0.50 -0.79 0.61 -2.88 0.00 0.00 179.24 176.68 2npb n GLY 65 N 0.51 -3.45 2.87 -0.78 0.00 -1.23 -4.98 105.19 98.13 2npb n GLY 65 Ca -0.08 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.94 -3.36 -1.86 1.61 4.01 -1.26 -4.78 117.16 108.58 2npb n TYR 66 Ca -0.03 -0.58 -0.41 0.00 -0.16 0.00 0.00 57.90 56.71 2npb n TYR 66 Cb 0.41 -1.17 -0.02 0.00 -0.31 0.00 0.00 39.34 38.26 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 -5.30 3.13 0.32 -0.72 0.24 -1.26 -4.62 118.33 110.12 2npb n VAL 67 Ca 0.11 -2.93 0.16 0.00 -2.04 0.00 0.00 64.34 59.64 2npb n VAL 67 Cb 0.49 -2.45 0.63 0.00 -1.47 0.00 0.00 33.84 31.04 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 7.08 0.00 -5.12 -1.34 3.32 -1.96 -3.44 116.42 114.96 2npb h ASP 68 Ca 0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.42 2npb h ASP 68 Cb 0.73 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.12 2npb h ASP 68 CO 1.74 0.00 -0.47 -0.89 -1.72 0.00 0.00 179.24 177.90 2npb s THR 69 N -3.56 0.14 0.17 0.35 2.01 -1.26 -5.02 115.64 108.48 2npb s THR 69 Ca 0.02 -1.16 -0.25 0.00 0.31 0.00 0.00 61.69 60.61 2npb s THR 69 Cb 0.09 -1.10 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2npb s THR 69 CO 0.48 -0.64 1.56 -0.08 -0.69 0.00 0.00 174.62 175.26 2npb h GLU 70 N 3.30 -0.19 -0.43 4.92 4.22 -2.00 -0.96 114.58 123.43 2npb h GLU 70 Ca -0.33 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.21 2npb h GLU 70 Cb 1.19 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2npb h GLU 70 CO 0.53 -0.13 0.30 1.03 -2.18 0.00 0.00 179.01 178.56 2npb h SER 71 N -0.20 0.19 -0.16 1.04 0.87 -1.97 0.11 113.55 113.42 2npb h SER 71 Ca 0.19 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.53 2npb h SER 71 Cb 0.56 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2npb h SER 71 CO -0.72 0.12 -0.78 0.50 -0.53 0.00 0.00 176.83 175.42 2npb h LYS 72 N 0.21 0.81 0.39 2.24 3.64 -1.60 -1.66 116.57 120.60 2npb h LYS 72 Ca 0.20 -0.65 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 2npb h LYS 72 Cb 0.51 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2npb h LYS 72 CO -0.04 1.26 -0.19 0.35 -2.27 0.00 0.00 179.45 178.56 2npb h PHE 73 N 0.55 -0.50 -0.40 1.91 3.57 -0.49 -3.21 116.94 118.37 2npb h PHE 73 Ca -0.05 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.52 2npb h PHE 73 Cb 1.41 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 2npb h PHE 73 CO 0.09 -0.31 0.28 -0.09 -2.23 0.00 0.00 178.31 176.04 2npb h ARG 74 N -0.53 0.16 -0.53 1.11 2.43 -0.84 -0.06 114.38 116.11 2npb h ARG 74 Ca -0.05 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2npb h ARG 74 Cb 0.41 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2npb h ARG 74 CO 0.08 0.10 0.35 -0.22 -1.51 0.00 0.00 179.97 178.78 2npb h LYS 75 N 0.16 0.55 0.07 0.20 3.11 -1.30 0.15 116.57 119.51 2npb h LYS 75 Ca 0.18 -0.03 -0.29 0.00 -2.81 0.00 0.00 60.65 57.71 2npb h LYS 75 Cb 0.52 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 2npb h LYS 75 CO -0.03 0.36 -1.54 1.25 -2.81 0.00 0.00 179.45 176.69 2npb h LEU 76 N 0.56 0.23 -0.78 5.20 6.46 -1.15 -3.21 115.31 122.62 2npb h LEU 76 Ca 0.22 -0.75 0.07 0.00 -0.12 0.00 0.00 57.88 57.30 2npb h LEU 76 Cb 0.17 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 2npb h LEU 76 CO -0.06 1.64 0.46 0.58 -0.62 0.00 0.00 178.44 180.44 2npb h VAL 77 N -0.48 0.99 -0.65 1.05 2.07 -1.14 -1.27 116.25 116.82 2npb h VAL 77 Ca -0.36 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 2npb h VAL 77 Cb 1.66 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2npb h VAL 77 CO -0.05 0.15 0.13 0.74 0.02 0.00 0.00 177.57 178.57 2npb h THR 78 N 0.82 1.26 -0.05 2.57 2.02 -0.86 -0.91 112.91 117.76 2npb h THR 78 Ca 0.35 -0.98 -0.16 0.00 0.77 0.00 0.00 66.41 66.39 2npb h THR 78 Cb 0.21 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2npb h THR 78 CO -0.19 0.37 -0.69 0.00 0.37 0.00 0.00 175.52 175.38 2npb h ALA 79 N 1.05 0.73 0.02 6.16 0.00 -1.35 -0.90 119.26 124.97 2npb h ALA 79 Ca 0.20 -0.60 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 2npb h ALA 79 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2npb h ALA 79 CO 0.01 0.78 -0.96 0.82 0.00 0.00 0.00 179.25 179.90 2npb h ILE 80 N 0.18 1.56 -0.22 0.00 1.08 -1.19 -0.75 117.51 118.17 2npb h ILE 80 Ca -0.02 -2.91 -0.17 0.00 -0.39 0.00 0.00 64.86 61.37 2npb h ILE 80 Cb 1.23 2.64 -0.00 0.00 -3.07 0.00 0.00 36.82 37.62 2npb h ILE 80 CO 0.11 0.84 -0.54 0.50 -0.69 0.00 0.00 178.15 178.37 2npb h LYS 81 N 0.06 0.64 0.35 2.37 3.64 -0.98 -0.66 116.57 122.00 2npb h LYS 81 Ca -0.04 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2npb h LYS 81 Cb 1.64 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2npb h LYS 81 CO 0.14 1.02 -0.17 0.00 -2.27 0.00 0.00 179.45 178.17 2npb h ALA 82 N 0.90 -0.48 -0.57 5.00 0.00 -1.16 -0.53 119.26 122.43 2npb h ALA 82 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2npb h ALA 82 Cb 1.10 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2npb h ALA 82 CO 0.11 -0.68 0.37 0.00 0.00 0.00 0.00 179.25 179.04 2npb h ALA 83 N -0.06 1.57 0.85 0.00 0.00 -1.10 -1.74 119.26 118.78 2npb h ALA 83 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2npb h ALA 83 Cb 0.46 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2npb h ALA 83 CO 0.08 0.39 -0.41 1.25 0.00 0.00 0.00 179.25 180.56 2npb h LEU 84 N 0.78 -0.97 -2.36 0.00 5.85 -1.11 -1.32 115.31 116.18 2npb h LEU 84 Ca 0.21 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2npb h LEU 84 Cb -0.07 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2npb h LEU 84 CO -0.04 -0.66 0.21 0.00 -0.34 0.00 0.00 178.44 177.60 2npb h ALA 85 N -1.06 1.34 0.07 1.25 0.00 -0.48 0.16 119.26 120.54 2npb h ALA 85 Ca -0.12 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2npb h ALA 85 Cb 0.88 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2npb h ALA 85 CO 0.19 -0.23 -0.52 1.96 0.00 0.00 0.00 179.25 180.65 2npb h GLN 86 N 0.00 0.15 -0.03 0.00 4.20 -1.28 -3.31 115.11 114.83 2npb h GLN 86 Ca 0.02 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.48 2npb h GLN 86 Cb 0.44 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2npb h GLN 86 CO -0.00 1.12 0.05 0.00 -0.67 0.00 0.00 178.83 179.34