#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 0.50 0.35 -5.12 0.00 -1.26 -4.21 121.76 112.01 2npb s ALA 2 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2npb s ALA 2 Cb 0.00 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 2npb s ALA 2 CO 0.00 -3.49 -0.02 -1.17 0.00 0.00 0.00 175.76 171.07 2npb s LEU 3 N -6.90 2.62 -0.06 0.00 2.96 -0.78 -4.96 118.68 111.55 2npb s LEU 3 Ca 0.69 -1.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2npb s LEU 3 Cb -0.14 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.80 2npb s LEU 3 CO 0.57 -0.39 -0.12 0.00 -1.32 0.00 0.00 176.35 175.10 2npb s ALA 4 N -2.86 1.19 0.05 5.97 0.00 -1.26 -1.27 121.76 123.58 2npb s ALA 4 Ca 0.33 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.95 2npb s ALA 4 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2npb s ALA 4 CO 0.16 0.12 -0.08 0.08 0.00 0.00 0.00 175.76 176.03 2npb s VAL 5 N 0.60 3.50 0.21 0.00 1.01 0.10 -0.67 120.40 125.15 2npb s VAL 5 Ca -0.13 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.94 2npb s VAL 5 Cb -0.15 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2npb s VAL 5 CO 0.03 0.26 -0.17 -0.13 0.00 0.00 0.00 175.10 175.09 2npb s ARG 6 N -1.78 1.39 -0.29 2.72 3.00 0.34 -0.77 118.95 123.57 2npb s ARG 6 Ca 0.19 -1.57 -0.02 0.00 0.00 0.00 0.00 55.73 54.34 2npb s ARG 6 Cb -0.11 -1.35 0.12 0.00 0.00 0.00 0.00 34.95 33.61 2npb s ARG 6 CO 0.11 0.25 0.24 0.08 0.00 0.00 0.00 175.30 175.98 2npb s VAL 7 N -2.53 -0.30 0.19 3.52 1.01 -0.96 -0.96 120.40 120.37 2npb s VAL 7 Ca 0.22 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2npb s VAL 7 Cb -0.03 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 2npb s VAL 7 CO 0.09 -0.53 1.15 0.54 0.00 0.00 0.00 175.10 176.35 2npb s VAL 8 N 2.28 3.66 0.14 2.92 0.11 -0.69 -0.85 120.40 127.97 2npb s VAL 8 Ca 0.09 1.44 -0.24 0.00 -2.93 0.00 0.00 61.98 60.34 2npb s VAL 8 Cb -0.15 -3.92 0.07 0.00 -1.53 0.00 0.00 36.38 30.86 2npb s VAL 8 CO -0.33 0.25 0.66 -0.47 -3.33 0.00 0.00 175.10 171.88 2npb s TYR 9 N -0.22 -0.48 -1.09 1.54 5.04 -1.24 -1.38 117.35 119.52 2npb s TYR 9 Ca 0.51 0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 55.25 2npb s TYR 9 Cb -0.31 0.57 0.16 0.00 0.35 0.00 0.00 41.96 42.72 2npb s TYR 9 CO 0.37 -0.82 1.29 -1.54 -1.34 0.00 0.00 175.55 173.51 2npb s SER 10 N -2.71 6.90 0.00 4.32 1.04 -1.26 -4.30 113.70 117.69 2npb s SER 10 Ca 0.02 -2.64 0.00 0.00 0.48 0.00 0.00 55.95 53.82 2npb s SER 10 Cb -0.01 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2npb s SER 10 CO -0.11 -0.85 1.00 0.61 0.98 0.00 0.00 173.24 174.87 2npb n GLY 11 N 4.60 1.51 0.32 7.32 0.00 -1.26 -4.65 105.19 113.02 2npb n GLY 11 Ca 0.31 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.51 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 2.31 1.38 -2.69 4.61 0.00 -2.02 -3.40 119.26 119.45 2npb h ALA 12 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2npb h ALA 12 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 2npb h ALA 12 CO 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 179.25 179.03 2npb n GLY 14 N -0.21 0.00 0.25 0.00 0.00 -1.26 -4.83 105.19 99.14 2npb n GLY 14 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.92 -0.10 1.61 -0.00 -1.95 -3.21 116.97 114.24 2npb h TYR 15 Ca 0.00 -0.18 0.02 0.00 -0.00 0.00 0.00 58.73 58.58 2npb h TYR 15 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 36.73 36.44 2npb h TYR 15 CO 0.00 0.90 -0.48 0.87 -0.00 0.00 0.00 178.16 179.45 2npb h LYS 16 N 0.67 -0.51 -0.38 0.10 1.79 -1.91 0.26 116.57 116.59 2npb h LYS 16 Ca 0.12 0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.54 2npb h LYS 16 Cb 0.57 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2npb h LYS 16 CO 0.03 -0.34 -0.13 -1.00 -1.08 0.00 0.00 179.45 176.93 2npb h PRO 17 N -0.53 0.69 -0.44 3.15 0.13 -1.99 -0.90 132.00 132.11 2npb h PRO 17 Ca 0.02 -0.23 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2npb h PRO 17 Cb 0.61 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.63 2npb h PRO 17 CO -0.37 0.79 0.12 -0.22 -0.23 0.00 0.00 178.00 178.09 2npb h LYS 18 N 0.62 0.26 0.56 0.86 3.64 -1.41 -0.59 116.57 120.50 2npb h LYS 18 Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2npb h LYS 18 Cb 0.58 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2npb h LYS 18 CO 0.04 0.17 -0.27 -0.92 -2.27 0.00 0.00 179.45 176.20 2npb h TYR 19 N 0.27 -0.69 -0.81 1.91 3.20 -0.34 -3.21 116.97 117.29 2npb h TYR 19 Ca 0.21 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.18 2npb h TYR 19 Cb 0.24 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 2npb h TYR 19 CO -0.18 -0.38 0.53 -0.07 -1.64 0.00 0.00 178.16 176.42 2npb h LEU 20 N -0.90 0.64 -1.03 2.82 4.07 -1.03 -1.00 115.31 118.88 2npb h LEU 20 Ca -0.08 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2npb h LEU 20 Cb 0.63 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 2npb h LEU 20 CO 0.13 0.37 0.45 -0.61 -1.08 0.00 0.00 178.44 177.69 2npb h GLN 21 N 0.70 1.12 -0.08 1.13 -0.00 -1.10 0.38 115.11 117.26 2npb h GLN 21 Ca 0.38 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.65 58.87 2npb h GLN 21 Cb 0.53 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.79 2npb h GLN 21 CO -0.15 0.82 -0.10 1.25 0.00 0.00 0.00 178.83 180.65 2npb h LEU 22 N 1.13 0.22 0.48 -2.39 5.85 -1.56 -3.33 115.31 115.71 2npb h LEU 22 Ca 0.29 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2npb h LEU 22 Cb 0.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2npb h LEU 22 CO -0.05 0.68 -0.23 0.50 -0.34 0.00 0.00 178.44 179.01 2npb h LYS 23 N -0.25 -0.62 -0.91 1.25 3.11 -0.07 -2.97 116.57 116.12 2npb h LYS 23 Ca 0.01 0.04 0.16 0.00 -2.81 0.00 0.00 60.65 58.05 2npb h LYS 23 Cb 0.63 0.14 -0.16 0.00 -1.00 0.00 0.00 32.23 31.84 2npb h LYS 23 CO 0.02 -0.35 -0.29 -1.91 -2.81 0.00 0.00 179.45 174.11 2npb n GLU 24 N -5.31 -0.15 0.02 1.90 0.00 0.12 -1.48 120.64 115.73 2npb n GLU 24 Ca -0.11 1.41 -0.11 0.00 0.00 0.00 0.00 57.16 58.34 2npb n GLU 24 Cb 0.30 -2.10 -0.06 0.00 0.00 0.00 0.00 31.44 29.58 2npb n GLU 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2npb h LYS 25 N 0.00 0.06 -0.20 5.31 1.63 -1.63 0.79 116.57 122.53 2npb h LYS 25 Ca 0.37 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.01 2npb h LYS 25 Cb 0.60 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2npb h LYS 25 CO -0.92 0.04 -0.48 1.25 -3.45 0.00 0.00 179.45 175.89 2npb h LEU 26 N 0.06 0.77 -1.37 5.20 5.85 -1.32 -0.74 115.31 123.76 2npb h LEU 26 Ca 0.02 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 2npb h LEU 26 Cb 0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2npb h LEU 26 CO -0.02 1.20 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.65 2npb h GLU 27 N 0.38 0.00 -0.22 1.25 5.08 -1.25 -0.54 114.58 119.27 2npb h GLU 27 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2npb h GLU 27 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2npb h GLU 27 CO 0.11 0.31 -0.50 1.25 -1.00 0.00 0.00 179.01 179.17 2npb h HIS 28 N 0.00 0.76 -0.20 4.33 2.76 -0.66 -2.42 115.15 119.72 2npb h HIS 28 Ca -0.00 -0.25 -0.16 0.00 -2.20 0.00 0.00 60.37 57.76 2npb h HIS 28 Cb 0.60 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2npb h HIS 28 CO 0.00 0.99 -0.52 0.93 -1.30 0.00 0.00 177.93 178.03 2npb h GLU 29 N 0.49 0.57 -0.96 5.26 4.39 -0.86 -3.38 114.58 120.08 2npb h GLU 29 Ca 0.02 -0.34 -0.42 0.00 0.34 0.00 0.00 59.36 58.96 2npb h GLU 29 Cb 1.04 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 29.31 2npb h GLU 29 CO 0.10 0.95 -1.01 1.19 -1.16 0.00 0.00 179.01 179.07 2npb n PHE 30 N -3.97 1.96 -1.76 4.33 3.72 -0.24 -5.09 117.46 116.41 2npb n PHE 30 Ca -0.03 -2.63 -0.42 0.00 -0.05 0.00 0.00 57.45 54.32 2npb n PHE 30 Cb 0.59 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 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 -3.45 4.14 0.00 -1.08 0.04 -0.91 -1.99 135.00 131.75 2npb s PRO 31 Ca 0.36 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.96 2npb s PRO 31 Cb 0.41 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2npb s PRO 31 CO -0.03 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2npb n GLY 32 N 3.96 0.00 0.17 0.56 0.00 -1.26 -4.65 105.19 103.97 2npb n GLY 32 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.95 1.19 0.13 0.00 1.43 -1.04 -1.87 118.68 113.56 2npb s LEU 34 Ca 0.04 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 52.60 2npb s LEU 34 Cb 0.09 1.19 -0.04 0.00 0.03 0.00 0.00 46.19 47.46 2npb s LEU 34 CO 0.46 -0.78 -0.22 -0.62 0.23 0.00 0.00 176.35 175.42 2npb s ASP 35 N -2.87 2.84 -0.03 2.29 2.15 -0.39 -4.89 116.67 115.77 2npb s ASP 35 Ca 0.07 -0.74 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 2npb s ASP 35 Cb 0.04 -0.17 0.03 0.00 -0.30 0.00 0.00 42.92 42.52 2npb s ASP 35 CO -0.09 0.08 0.03 -0.63 -0.17 0.00 0.00 175.17 174.39 2npb s ILE 36 N -1.30 0.00 0.49 4.11 1.01 -1.26 -0.72 121.20 123.54 2npb s ILE 36 Ca 0.11 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.05 2npb s ILE 36 Cb -0.09 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 2npb s ILE 36 CO 0.05 0.14 0.20 0.00 0.00 0.00 0.00 174.94 175.33 2npb s GLY 38 N -4.03 -0.49 -0.54 0.00 0.00 -1.26 -2.27 107.32 98.73 2npb s GLY 38 Ca 0.27 1.84 0.04 0.00 0.00 0.00 0.00 44.72 46.86 2npb s GLY 38 CO 0.15 1.62 0.38 -0.54 0.00 0.00 0.00 173.10 174.71 2npb s GLU 39 N 0.46 1.66 -1.45 2.90 0.41 -0.03 -4.88 118.70 117.77 2npb s GLU 39 Ca -0.01 -2.60 -0.14 0.00 -0.41 0.00 0.00 54.97 51.81 2npb s GLU 39 Cb -0.05 -2.51 0.04 0.00 -1.78 0.00 0.00 34.13 29.84 2npb s GLU 39 CO -0.01 -1.28 2.21 0.41 -0.49 0.00 0.00 175.26 176.10 2npb n GLY 40 N 2.67 4.39 2.74 -1.39 0.00 -1.26 -3.95 105.19 108.38 2npb n GLY 40 Ca 0.20 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 2npb n GLY 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2npb n THR 41 N 5.08 2.45 -1.90 2.61 -1.04 -1.26 -4.99 114.28 115.23 2npb n THR 41 Ca 0.52 -5.36 -0.29 0.00 -2.04 0.00 0.00 64.05 56.87 2npb n THR 41 Cb 0.39 -1.37 0.14 0.00 -1.82 0.00 0.00 70.33 67.66 2npb n THR 41 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2npb s PRO 42 N -3.13 1.32 0.00 -2.82 0.04 -1.26 -5.02 135.00 124.13 2npb s PRO 42 Ca 0.46 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2npb s PRO 42 Cb 0.27 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2npb s PRO 42 CO -0.11 -2.00 0.00 1.04 0.04 0.00 0.00 177.00 175.97 2npb n GLN 43 N -3.54 0.00 0.00 4.56 1.13 -1.26 -5.01 117.38 113.26 2npb n GLN 43 Ca 0.11 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.33 2npb n GLN 43 Cb 0.60 0.00 0.82 0.00 0.11 0.00 0.00 30.24 31.77 2npb n GLN 43 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2npb n VAL 44 N 0.00 0.00 -3.66 5.09 0.24 -1.26 -4.88 118.33 113.86 2npb n VAL 44 Ca 0.00 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 2npb n VAL 44 Cb 0.00 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.02 2npb n VAL 44 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2npb s THR 45 N -2.16 0.00 -1.12 3.34 -1.32 -1.26 -5.10 115.64 108.03 2npb s THR 45 Ca 0.41 -0.55 -0.04 0.00 -1.21 0.00 0.00 61.69 60.30 2npb s THR 45 Cb 0.21 -1.52 0.27 0.00 -1.51 0.00 0.00 72.50 69.95 2npb s THR 45 CO 0.39 -0.01 1.74 0.61 -2.21 0.00 0.00 174.62 175.14 2npb n GLY 46 N -0.41 5.40 3.55 6.08 0.00 -1.26 -4.75 105.19 113.79 2npb n GLY 46 Ca -0.10 -2.49 -0.23 0.00 0.00 0.00 0.00 46.02 43.20 2npb n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2npb n PHE 47 N 1.35 1.13 -2.71 1.61 3.01 -1.26 -4.74 117.46 115.84 2npb n PHE 47 Ca 0.38 0.05 -0.42 0.00 1.01 0.00 0.00 57.45 58.46 2npb n PHE 47 Cb 0.31 -2.45 -0.03 0.00 -0.01 0.00 0.00 39.48 37.30 2npb n PHE 47 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2npb s PHE 48 N 12.56 2.68 -0.10 1.38 2.19 -1.25 -3.59 117.98 131.85 2npb s PHE 48 Ca 1.00 -0.82 0.01 0.00 0.33 0.00 0.00 56.93 57.45 2npb s PHE 48 Cb -0.26 -4.50 0.02 0.00 -1.31 0.00 0.00 43.02 36.97 2npb s PHE 48 CO 0.20 -1.79 -0.12 -1.21 1.83 0.00 0.00 175.22 174.13 2npb s GLU 49 N 4.31 1.83 -0.17 10.12 2.02 -0.48 -1.36 118.70 134.96 2npb s GLU 49 Ca 0.36 -0.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.87 2npb s GLU 49 Cb -0.05 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 2npb s GLU 49 CO -0.02 -0.10 0.05 0.08 0.02 0.00 0.00 175.26 175.28 2npb s VAL 50 N 1.12 4.65 -0.08 2.63 1.01 -0.66 -1.70 120.40 127.36 2npb s VAL 50 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2npb s VAL 50 Cb -0.14 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2npb s VAL 50 CO -0.02 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.62 2npb s THR 51 N 0.29 0.71 -0.23 3.92 2.01 -0.13 -0.81 115.64 121.39 2npb s THR 51 Ca 0.02 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 2npb s THR 51 Cb -0.13 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2npb s THR 51 CO 0.01 0.30 0.05 0.54 -0.69 0.00 0.00 174.62 174.83 2npb s VAL 52 N 1.59 4.21 -0.42 3.82 0.11 -0.02 -0.50 120.40 129.18 2npb s VAL 52 Ca 0.01 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 2npb s VAL 52 Cb -0.13 -2.95 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2npb s VAL 52 CO -0.05 0.37 0.03 0.00 -3.33 0.00 0.00 175.10 172.12 2npb n ALA 53 N 4.67 -0.94 -0.51 1.54 0.00 0.15 -0.52 120.51 124.90 2npb n ALA 53 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2npb n ALA 53 Cb 0.51 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.63 0.90 3.01 0.00 0.00 -1.26 -5.09 105.19 102.12 2npb n GLY 54 Ca -0.04 -0.43 -0.31 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 -1.17 2.19 0.12 1.61 -0.14 0.32 -5.12 119.74 117.56 2npb s LYS 55 Ca 0.00 -0.77 -0.31 0.00 -1.36 0.00 0.00 55.97 53.52 2npb s LYS 55 Cb 0.00 -2.35 -0.09 0.00 -1.68 0.00 0.00 37.83 33.70 2npb s LYS 55 CO 0.00 -0.36 1.62 -1.17 -0.76 0.00 0.00 175.35 174.69 2npb s LEU 56 N 1.40 4.37 -0.02 3.17 0.20 -1.26 -0.84 118.68 125.70 2npb s LEU 56 Ca 0.01 2.57 0.04 0.00 0.69 0.00 0.00 54.13 57.44 2npb s LEU 56 Cb -0.15 -3.58 -0.06 0.00 -0.43 0.00 0.00 46.19 41.97 2npb s LEU 56 CO -0.09 -0.87 0.07 0.52 -0.29 0.00 0.00 176.35 175.69 2npb n VAL 57 N 4.35 0.08 -3.85 1.68 0.31 0.01 -4.96 118.33 115.95 2npb n VAL 57 Ca 0.15 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 2npb n VAL 57 Cb 0.39 -0.01 -0.09 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.23 0.06 -0.29 3.52 5.65 -1.17 -4.98 115.29 115.85 2npb s HIS 58 Ca -0.02 -0.26 -0.14 0.00 0.25 0.00 0.00 55.06 54.90 2npb s HIS 58 Cb 0.02 -0.04 0.11 0.00 -1.18 0.00 0.00 32.58 31.50 2npb s HIS 58 CO 0.17 -0.40 0.73 0.45 -0.65 0.00 0.00 174.74 175.04 2npb s SER 59 N -1.96 -0.95 0.53 9.88 0.15 -1.26 -1.66 113.70 118.44 2npb s SER 59 Ca -0.07 1.41 0.34 0.00 0.70 0.00 0.00 55.95 58.32 2npb s SER 59 Cb -0.02 1.74 1.44 0.00 -1.71 0.00 0.00 66.02 67.47 2npb s SER 59 CO -0.03 -0.21 2.00 0.11 1.20 0.00 0.00 173.24 176.31 2npb h LYS 60 N 7.32 0.00 0.00 5.44 1.79 -1.56 -1.49 116.57 128.07 2npb h LYS 60 Ca -0.24 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 2npb h LYS 60 Cb 1.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2npb h LYS 60 CO 0.13 0.00 -1.33 0.36 -1.08 0.00 0.00 179.45 177.54 2npb n LYS 61 N -2.99 0.62 0.19 3.15 -0.00 -1.26 -3.99 118.16 113.89 2npb n LYS 61 Ca 0.00 0.08 0.13 0.00 -0.00 0.00 0.00 58.31 58.53 2npb n LYS 61 Cb 0.27 -1.76 0.39 0.00 -0.00 0.00 0.00 35.03 33.93 2npb n LYS 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 2npb h ARG 62 N 0.00 0.00 0.00 -1.58 -0.00 -1.95 -3.47 114.38 107.38 2npb h ARG 62 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.92 2npb h ARG 62 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2npb h ARG 62 CO 0.01 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.39 2npb n GLY 63 N 0.75 1.48 0.07 0.08 0.00 -1.20 -5.05 105.19 101.32 2npb n GLY 63 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.05 -3.89 1.61 3.58 -1.52 -3.50 116.42 112.76 2npb h ASP 64 Ca 0.00 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.63 2npb h ASP 64 Cb 0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2npb h ASP 64 CO 0.00 0.87 -0.95 0.61 -2.88 0.00 0.00 179.24 176.89 2npb n GLY 65 N 1.15 -4.13 3.23 -0.78 0.00 -1.25 -5.00 105.19 98.39 2npb n GLY 65 Ca -0.10 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.38 -2.82 -1.71 1.61 4.01 -1.26 -4.80 117.16 109.82 2npb n TYR 66 Ca 0.00 -0.44 -0.32 0.00 -0.16 0.00 0.00 57.90 56.97 2npb n TYR 66 Cb 0.41 -1.44 -0.04 0.00 -0.31 0.00 0.00 39.34 37.97 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 -2.17 3.12 0.26 -0.72 -7.23 -1.26 -4.77 120.40 107.63 2npb s VAL 67 Ca 0.60 0.02 0.05 0.00 -1.81 0.00 0.00 61.98 60.85 2npb s VAL 67 Cb -0.14 -3.30 -0.01 0.00 0.56 0.00 0.00 36.38 33.50 2npb s VAL 67 CO 0.54 -0.29 1.62 -2.24 -0.31 0.00 0.00 175.10 174.43 2npb h ASP 68 N 16.90 0.26 -4.93 4.85 3.04 -1.97 -3.48 116.42 131.09 2npb h ASP 68 Ca -0.19 -0.13 -0.20 0.00 -3.24 0.00 0.00 57.03 53.28 2npb h ASP 68 Cb 1.18 -0.07 -0.20 0.00 -1.04 0.00 0.00 39.33 39.20 2npb h ASP 68 CO 1.15 0.73 -0.71 0.42 -2.04 0.00 0.00 179.24 178.80 2npb s THR 69 N -3.94 0.29 0.28 1.15 -4.23 -1.26 -5.03 115.64 102.89 2npb s THR 69 Ca -0.04 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2npb s THR 69 Cb 0.13 -0.60 0.26 0.00 1.34 0.00 0.00 72.50 73.62 2npb s THR 69 CO 0.79 -0.55 1.77 -0.33 -0.54 0.00 0.00 174.62 175.76 2npb h GLU 70 N 4.32 0.67 -0.54 3.99 4.39 -2.00 -1.55 114.58 123.86 2npb h GLU 70 Ca -0.34 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 2npb h GLU 70 Cb 1.20 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 2npb h GLU 70 CO 0.45 0.45 0.31 1.03 -1.16 0.00 0.00 179.01 180.09 2npb h SER 71 N 0.69 0.65 0.04 1.42 0.87 -1.97 0.15 113.55 115.40 2npb h SER 71 Ca 0.50 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2npb h SER 71 Cb 0.71 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2npb h SER 71 CO -0.36 0.51 -0.02 0.50 -0.53 0.00 0.00 176.83 176.93 2npb h LYS 72 N 0.74 -0.05 0.03 2.24 3.64 -1.71 -2.08 116.57 119.38 2npb h LYS 72 Ca 0.19 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2npb h LYS 72 Cb 0.00 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2npb h LYS 72 CO -0.03 0.16 -0.17 0.35 -2.27 0.00 0.00 179.45 177.49 2npb h PHE 73 N -0.26 -0.43 -0.03 1.91 3.57 -0.94 -2.97 116.94 117.79 2npb h PHE 73 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2npb h PHE 73 Cb 0.23 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2npb h PHE 73 CO -0.01 -0.24 0.03 -0.09 -2.23 0.00 0.00 178.31 175.77 2npb h ARG 74 N -0.29 0.00 -0.46 1.11 1.12 -0.72 -0.26 114.38 114.89 2npb h ARG 74 Ca 0.04 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.99 2npb h ARG 74 Cb 0.34 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.24 2npb h ARG 74 CO -0.14 0.00 0.11 -0.22 -3.11 0.00 0.00 179.97 176.61 2npb h LYS 75 N 0.00 0.25 0.03 0.20 1.63 -1.20 0.36 116.57 117.84 2npb h LYS 75 Ca 0.02 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 2npb h LYS 75 Cb 0.07 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2npb h LYS 75 CO -0.00 0.16 -0.77 1.25 -3.45 0.00 0.00 179.45 176.65 2npb h LEU 76 N 0.26 0.62 -0.35 5.20 6.46 -1.13 -2.26 115.31 124.10 2npb h LEU 76 Ca 0.22 -0.79 0.06 0.00 -0.12 0.00 0.00 57.88 57.26 2npb h LEU 76 Cb 0.27 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 2npb h LEU 76 CO -0.27 1.33 0.00 0.58 -0.62 0.00 0.00 178.44 179.46 2npb h VAL 77 N -0.02 0.74 -0.56 1.05 2.07 -1.24 0.09 116.25 118.38 2npb h VAL 77 Ca -0.10 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2npb h VAL 77 Cb 1.48 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2npb h VAL 77 CO 0.15 0.02 0.13 0.74 0.02 0.00 0.00 177.57 178.63 2npb h THR 78 N 0.10 1.23 0.01 2.57 2.02 -0.91 0.80 112.91 118.72 2npb h THR 78 Ca 0.17 -0.84 -0.19 0.00 0.77 0.00 0.00 66.41 66.32 2npb h THR 78 Cb 0.23 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2npb h THR 78 CO -0.29 0.31 -0.88 0.00 0.37 0.00 0.00 175.52 175.04 2npb h ALA 79 N 1.32 0.54 0.01 6.16 0.00 -0.82 -2.04 119.26 124.41 2npb h ALA 79 Ca 0.18 -0.74 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 2npb h ALA 79 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2npb h ALA 79 CO -0.00 0.96 -0.93 0.82 0.00 0.00 0.00 179.25 180.10 2npb h ILE 80 N 0.07 1.64 -0.41 0.00 1.08 -0.78 -0.98 117.51 118.13 2npb h ILE 80 Ca -0.04 -3.10 -0.04 0.00 -0.39 0.00 0.00 64.86 61.29 2npb h ILE 80 Cb 1.51 2.69 -0.02 0.00 -3.07 0.00 0.00 36.82 37.94 2npb h ILE 80 CO 0.13 0.89 0.10 0.50 -0.69 0.00 0.00 178.15 179.07 2npb h LYS 81 N 0.01 0.66 0.12 2.37 3.64 -0.72 0.15 116.57 122.80 2npb h LYS 81 Ca -0.02 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2npb h LYS 81 Cb 1.63 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2npb h LYS 81 CO 0.13 0.68 -0.06 0.00 -2.27 0.00 0.00 179.45 177.93 2npb h ALA 82 N 0.95 -0.16 -0.62 5.00 0.00 -1.38 -1.78 119.26 121.28 2npb h ALA 82 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2npb h ALA 82 Cb 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2npb h ALA 82 CO 0.00 -0.53 0.41 0.00 0.00 0.00 0.00 179.25 179.13 2npb h ALA 83 N 0.58 1.67 0.48 0.00 0.00 -1.00 -1.59 119.26 119.40 2npb h ALA 83 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2npb h ALA 83 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2npb h ALA 83 CO 0.03 0.26 -0.23 1.25 0.00 0.00 0.00 179.25 180.56 2npb h LEU 84 N 0.73 -0.55 -2.63 0.00 7.12 -0.60 0.10 115.31 119.48 2npb h LEU 84 Ca 0.25 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.19 2npb h LEU 84 Cb 0.09 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.36 2npb h LEU 84 CO -0.07 -0.23 0.03 0.00 -0.13 0.00 0.00 178.44 178.04 2npb h ALA 85 N -0.51 1.35 0.04 1.25 0.00 -1.11 -0.08 119.26 120.20 2npb h ALA 85 Ca -0.07 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 2npb h ALA 85 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2npb h ALA 85 CO 0.11 -0.04 -1.42 0.37 0.00 0.00 0.00 179.25 178.28 2npb h GLN 86 N 0.00 0.09 0.00 0.00 4.15 -1.13 -3.30 115.11 114.92 2npb h GLN 86 Ca 0.01 -0.15 -0.18 0.00 0.77 0.00 0.00 58.65 59.09 2npb h GLN 86 Cb 0.07 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2npb h GLN 86 CO -0.00 0.88 -0.85 0.00 -1.93 0.00 0.00 178.83 176.93