#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 1.05 -0.06 -5.12 0.00 -1.26 -4.95 121.76 111.41 2npb s ALA 2 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2npb s ALA 2 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.73 2npb s ALA 2 CO 0.00 -3.00 -0.03 -1.17 0.00 0.00 0.00 175.76 171.55 2npb s LEU 3 N -6.74 1.04 -0.89 0.00 2.96 -1.24 -4.93 118.68 108.89 2npb s LEU 3 Ca 0.67 -0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 54.20 2npb s LEU 3 Cb -0.23 -0.50 0.04 0.00 0.50 0.00 0.00 46.19 46.00 2npb s LEU 3 CO 0.59 -0.11 1.37 0.00 -1.32 0.00 0.00 176.35 176.88 2npb s ALA 4 N 1.39 2.73 0.19 5.97 0.00 -1.26 -0.88 121.76 129.91 2npb s ALA 4 Ca -0.03 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 49.88 2npb s ALA 4 Cb -0.13 -4.40 -0.08 0.00 0.00 0.00 0.00 23.12 18.51 2npb s ALA 4 CO -0.03 -3.46 0.69 0.08 0.00 0.00 0.00 175.76 173.04 2npb s VAL 5 N 5.31 4.61 0.21 0.00 1.01 0.49 -0.69 120.40 131.34 2npb s VAL 5 Ca 0.41 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.70 2npb s VAL 5 Cb -0.04 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2npb s VAL 5 CO 0.02 0.27 -0.10 -0.13 0.00 0.00 0.00 175.10 175.16 2npb s ARG 6 N -1.82 1.31 -0.41 2.72 3.00 0.36 -0.55 118.95 123.57 2npb s ARG 6 Ca 0.40 -1.60 0.02 0.00 0.00 0.00 0.00 55.73 54.54 2npb s ARG 6 Cb -0.17 -0.96 0.14 0.00 0.00 0.00 0.00 34.95 33.96 2npb s ARG 6 CO 0.21 0.10 0.25 0.08 0.00 0.00 0.00 175.30 175.94 2npb s VAL 7 N -3.11 0.82 -0.13 3.52 1.01 -1.02 -1.59 120.40 119.90 2npb s VAL 7 Ca 0.23 -2.28 -0.29 0.00 0.00 0.00 0.00 61.98 59.64 2npb s VAL 7 Cb 0.01 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2npb s VAL 7 CO 0.07 -0.98 1.32 -0.69 0.00 0.00 0.00 175.10 174.82 2npb s VAL 8 N 0.55 4.16 -0.11 2.92 1.01 -0.20 -1.20 120.40 127.53 2npb s VAL 8 Ca 0.20 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.43 2npb s VAL 8 Cb -0.20 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.31 2npb s VAL 8 CO -0.02 -0.11 0.41 -0.47 0.00 0.00 0.00 175.10 174.91 2npb s TYR 9 N 3.41 -0.40 -1.08 5.22 5.04 -0.73 -0.94 117.35 127.88 2npb s TYR 9 Ca 0.58 0.87 -0.23 0.00 -2.44 0.00 0.00 57.07 55.86 2npb s TYR 9 Cb -0.24 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.22 2npb s TYR 9 CO 0.18 -0.31 1.80 0.45 -1.34 0.00 0.00 175.55 176.33 2npb s SER 10 N -0.37 5.71 0.00 4.32 0.15 -1.22 -3.95 113.70 118.34 2npb s SER 10 Ca -0.05 -1.43 0.02 0.00 0.70 0.00 0.00 55.95 55.18 2npb s SER 10 Cb -0.03 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.79 2npb s SER 10 CO 0.03 -2.29 0.38 0.61 1.20 0.00 0.00 173.24 173.17 2npb n GLY 11 N 6.32 -0.25 0.33 9.45 0.00 -1.26 -4.33 105.19 115.44 2npb n GLY 11 Ca 0.41 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.60 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 1.70 1.47 -2.27 4.61 0.00 -1.99 -2.97 119.26 119.82 2npb h ALA 12 Ca 0.00 -0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.16 2npb h ALA 12 Cb 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 17.47 2npb h ALA 12 CO 0.00 -0.15 0.29 0.00 0.00 0.00 0.00 179.25 179.39 2npb n GLY 14 N 1.65 -0.87 0.17 0.00 0.00 -1.17 -4.94 105.19 100.02 2npb n GLY 14 Ca 0.26 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.71 0.50 -0.57 1.61 -0.00 -1.87 -3.39 116.97 111.54 2npb h TYR 15 Ca -0.64 -0.04 0.10 0.00 -0.00 0.00 0.00 58.73 58.14 2npb h TYR 15 Cb 1.35 -0.15 -0.11 0.00 -0.00 0.00 0.00 36.73 37.82 2npb h TYR 15 CO 0.36 0.48 -0.35 0.87 -0.00 0.00 0.00 178.16 179.52 2npb h LYS 16 N 0.37 -0.18 -0.09 0.10 1.57 -1.92 0.97 116.57 117.39 2npb h LYS 16 Ca 0.11 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2npb h LYS 16 Cb 0.21 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2npb h LYS 16 CO -0.01 -0.12 -0.43 -1.00 -0.57 0.00 0.00 179.45 177.32 2npb h PRO 17 N -0.18 0.20 0.00 3.15 0.13 -1.99 -1.19 132.00 132.12 2npb h PRO 17 Ca 0.22 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 2npb h PRO 17 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2npb h PRO 17 CO -0.67 0.61 -0.46 0.87 -0.23 0.00 0.00 178.00 178.11 2npb h LYS 18 N 0.17 0.00 0.56 0.86 1.57 -1.11 0.40 116.57 119.03 2npb h LYS 18 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2npb h LYS 18 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.16 2npb h LYS 18 CO 0.07 0.46 -0.27 1.88 -0.57 0.00 0.00 179.45 181.02 2npb h TYR 19 N 0.00 -0.70 -0.96 -1.35 -1.99 -0.85 -3.34 116.97 107.80 2npb h TYR 19 Ca -0.00 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.83 2npb h TYR 19 Cb 0.91 0.23 -0.08 0.00 2.00 0.00 0.00 36.73 39.79 2npb h TYR 19 CO 0.00 -0.43 0.58 -0.07 -0.00 0.00 0.00 178.16 178.24 2npb h LEU 20 N -0.90 0.84 -0.78 3.88 3.38 -0.97 -0.09 115.31 120.69 2npb h LEU 20 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2npb h LEU 20 Cb 0.57 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2npb h LEU 20 CO 0.13 0.45 0.41 -0.61 0.09 0.00 0.00 178.44 178.90 2npb h GLN 21 N 0.92 1.09 -0.07 1.13 -0.00 -1.08 0.46 115.11 117.56 2npb h GLN 21 Ca 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.97 2npb h GLN 21 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 2npb h GLN 21 CO -0.27 0.82 -0.02 1.25 0.00 0.00 0.00 178.83 180.61 2npb h LEU 22 N 1.08 0.14 0.66 -2.39 6.46 -1.56 -3.28 115.31 116.41 2npb h LEU 22 Ca 0.27 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2npb h LEU 22 Cb 0.06 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2npb h LEU 22 CO -0.04 0.47 -0.32 0.50 -0.62 0.00 0.00 178.44 178.44 2npb h LYS 23 N -0.20 -0.85 -0.92 1.25 3.11 -0.27 -2.40 116.57 116.28 2npb h LYS 23 Ca 0.02 0.06 0.24 0.00 -2.81 0.00 0.00 60.65 58.15 2npb h LYS 23 Cb 0.42 0.19 -0.17 0.00 -1.00 0.00 0.00 32.23 31.67 2npb h LYS 23 CO 0.01 -0.53 0.02 1.49 -2.81 0.00 0.00 179.45 177.63 2npb h GLU 24 N -1.03 0.05 -0.55 1.90 4.22 -0.30 0.03 114.58 118.90 2npb h GLU 24 Ca -0.09 -0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 2npb h GLU 24 Cb 0.71 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2npb h GLU 24 CO 0.15 0.03 0.05 -0.22 -2.18 0.00 0.00 179.01 176.84 2npb h LYS 25 N 0.05 0.93 0.19 1.92 1.63 -1.56 0.13 116.57 119.86 2npb h LYS 25 Ca 0.54 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 2npb h LYS 25 Cb 1.06 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2npb h LYS 25 CO -0.84 0.92 -0.09 -0.07 -3.45 0.00 0.00 179.45 175.91 2npb h LEU 26 N 0.82 -0.22 -1.19 5.20 4.07 -0.78 -1.53 115.31 121.67 2npb h LEU 26 Ca 0.16 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2npb h LEU 26 Cb 0.46 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 2npb h LEU 26 CO 0.02 0.02 0.55 -0.33 -1.08 0.00 0.00 178.44 177.62 2npb h GLU 27 N -0.47 1.07 -0.60 1.13 5.08 -1.04 -0.94 114.58 118.82 2npb h GLU 27 Ca -0.03 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2npb h GLU 27 Cb 0.36 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2npb h GLU 27 CO 0.04 0.71 0.37 1.25 -1.00 0.00 0.00 179.01 180.39 2npb h HIS 28 N 1.10 0.70 -0.43 4.33 2.76 -0.73 -1.46 115.15 121.42 2npb h HIS 28 Ca 0.31 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.38 2npb h HIS 28 Cb -0.10 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.62 2npb h HIS 28 CO -0.00 0.41 -0.20 0.93 -1.30 0.00 0.00 177.93 177.77 2npb h GLU 29 N 0.74 0.85 -1.15 5.26 4.39 -0.36 -3.39 114.58 120.92 2npb h GLU 29 Ca 0.24 -0.34 -0.41 0.00 0.34 0.00 0.00 59.36 59.18 2npb h GLU 29 Cb -0.01 -0.04 -0.29 0.00 -0.10 0.00 0.00 28.75 28.32 2npb h GLU 29 CO -0.09 0.98 -0.85 1.97 -1.16 0.00 0.00 179.01 179.86 2npb n PHE 30 N -4.12 -1.56 -2.18 4.33 1.16 -0.45 -5.07 117.46 109.57 2npb n PHE 30 Ca 0.00 -2.84 -0.42 0.00 -1.87 0.00 0.00 57.45 52.33 2npb n PHE 30 Cb 0.43 0.46 -0.03 0.00 -1.61 0.00 0.00 39.48 38.73 2npb n PHE 30 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2npb s PRO 31 N -0.51 4.35 0.00 3.97 0.04 -0.55 -3.02 135.00 139.28 2npb s PRO 31 Ca 0.34 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2npb s PRO 31 Cb 0.21 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2npb s PRO 31 CO -0.16 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2npb n GLY 32 N 2.83 0.00 0.19 0.56 0.00 -1.26 -4.66 105.19 102.86 2npb n GLY 32 Ca 0.08 0.00 0.14 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 -4.91 0.40 -0.05 0.00 1.02 -1.21 -3.62 118.68 110.30 2npb s LEU 34 Ca -0.00 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.83 2npb s LEU 34 Cb 0.08 1.84 -0.03 0.00 0.02 0.00 0.00 46.19 48.11 2npb s LEU 34 CO 0.33 -0.87 -0.14 -0.62 0.02 0.00 0.00 176.35 175.07 2npb s ASP 35 N -2.82 4.05 -0.15 2.29 2.15 -0.05 -4.80 116.67 117.35 2npb s ASP 35 Ca 0.04 -0.19 -0.01 0.00 0.43 0.00 0.00 52.55 52.81 2npb s ASP 35 Cb 0.02 -0.90 0.04 0.00 -0.30 0.00 0.00 42.92 41.78 2npb s ASP 35 CO -0.11 0.34 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.57 2npb s ILE 36 N -0.68 0.88 0.54 4.11 1.09 -1.26 -0.38 121.20 125.50 2npb s ILE 36 Ca 0.10 -0.46 0.05 0.00 -1.10 0.00 0.00 60.65 59.24 2npb s ILE 36 Cb -0.11 -1.10 0.05 0.00 -1.06 0.00 0.00 42.46 40.25 2npb s ILE 36 CO 0.01 0.11 0.75 0.00 -0.10 0.00 0.00 174.94 175.70 2npb s GLY 38 N -4.51 0.34 -0.23 0.00 0.00 -1.26 -2.43 107.32 99.24 2npb s GLY 38 Ca 0.59 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 2npb s GLY 38 CO 0.38 -1.00 0.23 1.85 0.00 0.00 0.00 173.10 174.55 2npb s GLU 39 N -2.92 0.22 -1.40 2.90 2.12 -0.34 -4.82 118.70 114.46 2npb s GLU 39 Ca -0.02 0.06 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2npb s GLU 39 Cb 0.01 -1.11 0.08 0.00 0.26 0.00 0.00 34.13 33.37 2npb s GLU 39 CO -0.06 -0.77 2.18 0.41 -0.54 0.00 0.00 175.26 176.48 2npb n GLY 40 N 5.31 4.60 3.60 -1.50 0.00 -1.25 -1.77 105.19 114.18 2npb n GLY 40 Ca -0.05 -1.81 -0.49 0.00 0.00 0.00 0.00 46.02 43.67 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 4.01 0.43 -2.19 2.61 -1.04 -1.26 -4.78 114.28 112.07 2npb n THR 41 Ca 0.51 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 62.00 2npb n THR 41 Cb 0.35 -0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 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 0.12 4.40 -0.83 -2.82 0.04 -1.26 -3.44 135.00 131.21 2npb s PRO 42 Ca 0.78 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2npb s PRO 42 Cb -0.85 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2npb s PRO 42 CO 0.48 -0.15 0.00 1.04 0.04 0.00 0.00 177.00 178.41 2npb n GLN 43 N 1.26 -1.69 -1.73 4.56 6.02 -1.26 -4.98 117.38 119.56 2npb n GLN 43 Ca 0.01 0.76 -0.34 0.00 -0.01 0.00 0.00 57.00 57.42 2npb n GLN 43 Cb 0.42 -5.15 0.06 0.00 1.02 0.00 0.00 30.24 26.59 2npb n GLN 43 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2npb s VAL 44 N -1.72 2.83 0.00 5.09 -7.23 -1.22 -4.90 120.40 113.25 2npb s VAL 44 Ca 0.00 0.42 -0.04 0.00 -1.81 0.00 0.00 61.98 60.55 2npb s VAL 44 Cb 0.00 -3.00 -0.18 0.00 0.56 0.00 0.00 36.38 33.76 2npb s VAL 44 CO 0.00 -0.20 2.76 0.41 -0.31 0.00 0.00 175.10 177.75 2npb n THR 45 N -2.30 2.25 -0.38 5.32 -1.04 -1.26 -4.66 114.28 112.20 2npb n THR 45 Ca 0.12 -1.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.07 2npb n THR 45 Cb 0.51 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 2.45 1.20 3.75 3.41 0.00 -1.26 -4.99 105.19 109.74 2npb n GLY 46 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.46 2.35 -0.34 1.61 -0.12 -1.26 -4.67 117.98 113.07 2npb s PHE 47 Ca 0.00 1.58 -0.01 0.00 -0.05 0.00 0.00 56.93 58.45 2npb s PHE 47 Cb 0.00 -3.30 0.12 0.00 -0.63 0.00 0.00 43.02 39.21 2npb s PHE 47 CO 0.00 -2.11 0.17 0.12 -0.05 0.00 0.00 175.22 173.35 2npb s PHE 48 N -2.21 1.05 -0.15 3.49 2.19 -1.25 -3.40 117.98 117.69 2npb s PHE 48 Ca 0.70 -1.61 0.00 0.00 0.33 0.00 0.00 56.93 56.35 2npb s PHE 48 Cb -0.24 -1.25 0.03 0.00 -1.31 0.00 0.00 43.02 40.25 2npb s PHE 48 CO 0.44 -0.83 -0.11 -1.21 1.83 0.00 0.00 175.22 175.34 2npb s GLU 49 N 1.29 1.98 -0.16 10.12 0.41 -0.12 -1.67 118.70 130.55 2npb s GLU 49 Ca 0.14 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 54.14 2npb s GLU 49 Cb -0.20 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.11 2npb s GLU 49 CO -0.13 -0.29 -0.00 0.54 -0.49 0.00 0.00 175.26 174.89 2npb s VAL 50 N 1.55 4.22 0.02 2.63 0.11 -0.69 -1.04 120.40 127.21 2npb s VAL 50 Ca 0.04 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2npb s VAL 50 Cb -0.13 -2.87 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 2npb s VAL 50 CO -0.09 0.48 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.17 2npb s THR 51 N 0.33 0.79 -0.10 5.04 2.01 -0.62 -0.92 115.64 122.17 2npb s THR 51 Ca -0.01 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2npb s THR 51 Cb -0.13 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.67 2npb s THR 51 CO 0.02 -0.03 -0.07 0.54 -0.69 0.00 0.00 174.62 174.39 2npb s VAL 52 N -0.73 0.91 -1.28 3.82 0.11 -0.03 -0.49 120.40 122.72 2npb s VAL 52 Ca -0.01 -0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 58.66 2npb s VAL 52 Cb -0.07 -0.94 0.15 0.00 -1.53 0.00 0.00 36.38 33.99 2npb s VAL 52 CO 0.00 0.34 0.43 0.00 -3.33 0.00 0.00 175.10 172.55 2npb n ALA 53 N 4.81 -1.13 -0.68 1.54 0.00 0.14 -0.58 120.51 124.60 2npb n ALA 53 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2npb n ALA 53 Cb 0.50 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.94 0.65 2.99 0.00 0.00 -1.26 -5.06 105.19 101.56 2npb n GLY 54 Ca 0.07 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.39 1.66 0.18 1.61 -0.14 0.26 -5.11 119.74 116.81 2npb s LYS 55 Ca 0.00 -1.44 -0.31 0.00 -1.36 0.00 0.00 55.97 52.85 2npb s LYS 55 Cb 0.00 -2.86 -0.10 0.00 -1.68 0.00 0.00 37.83 33.19 2npb s LYS 55 CO 0.00 -0.76 1.56 -1.17 -0.76 0.00 0.00 175.35 174.23 2npb s LEU 56 N 1.14 4.37 -0.07 3.17 0.20 -1.26 -0.85 118.68 125.38 2npb s LEU 56 Ca 0.01 2.66 0.08 0.00 0.69 0.00 0.00 54.13 57.56 2npb s LEU 56 Cb -0.19 -3.60 -0.11 0.00 -0.43 0.00 0.00 46.19 41.86 2npb s LEU 56 CO -0.08 -0.82 0.06 0.52 -0.29 0.00 0.00 176.35 175.73 2npb n VAL 57 N 3.68 0.47 -3.97 1.68 0.31 -0.09 -4.97 118.33 115.44 2npb n VAL 57 Ca 0.13 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 64.04 2npb n VAL 57 Cb 0.38 -0.60 -0.11 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.27 0.25 -0.28 3.52 5.65 -1.18 -5.00 115.29 115.98 2npb s HIS 58 Ca -0.04 -0.52 -0.03 0.00 0.25 0.00 0.00 55.06 54.72 2npb s HIS 58 Cb 0.03 -0.19 0.16 0.00 -1.18 0.00 0.00 32.58 31.41 2npb s HIS 58 CO 0.35 -0.23 0.53 0.45 -0.65 0.00 0.00 174.74 175.19 2npb s SER 59 N -1.61 -0.81 0.41 9.88 0.15 -1.26 -1.70 113.70 118.77 2npb s SER 59 Ca -0.13 0.75 0.19 0.00 0.70 0.00 0.00 55.95 57.45 2npb s SER 59 Cb -0.08 1.82 0.89 0.00 -1.71 0.00 0.00 66.02 66.94 2npb s SER 59 CO -0.02 -0.27 1.85 0.11 1.20 0.00 0.00 173.24 176.12 2npb h LYS 60 N 8.07 0.00 -0.64 5.44 1.79 -1.68 -1.15 116.57 128.40 2npb h LYS 60 Ca -0.21 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2npb h LYS 60 Cb 1.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 2npb h LYS 60 CO 0.24 0.31 0.32 -0.22 -1.08 0.00 0.00 179.45 179.02 2npb h LYS 61 N 0.00 0.89 -0.18 3.15 3.64 -1.94 -2.56 116.57 119.58 2npb h LYS 61 Ca -0.00 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 2npb h LYS 61 Cb 0.67 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2npb h LYS 61 CO 0.04 0.68 -0.52 -0.09 -2.27 0.00 0.00 179.45 177.29 2npb h ARG 62 N 0.89 0.50 0.00 1.90 2.43 -1.95 -3.48 114.38 114.67 2npb h ARG 62 Ca 0.22 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2npb h ARG 62 Cb 0.07 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2npb h ARG 62 CO -0.03 0.90 0.00 0.41 -1.51 0.00 0.00 179.97 179.74 2npb n GLY 63 N 0.18 1.61 0.25 2.80 0.00 -0.97 -5.02 105.19 104.05 2npb n GLY 63 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 -4.03 1.61 3.58 -1.46 -3.50 116.42 112.65 2npb h ASP 64 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2npb h ASP 64 Cb 0.19 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2npb h ASP 64 CO 0.00 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 2npb n GLY 65 N -1.39 -2.60 0.00 -0.78 0.00 -1.26 -5.02 105.19 94.13 2npb n GLY 65 Ca -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.56 -1.88 -1.43 1.61 4.01 -1.26 -4.79 117.16 111.86 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 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.87 2.82 0.29 -0.72 0.24 -1.26 -4.63 118.33 113.20 2npb n VAL 67 Ca 0.00 -2.36 0.18 0.00 -2.04 0.00 0.00 64.34 60.12 2npb n VAL 67 Cb 0.00 -2.47 0.86 0.00 -1.47 0.00 0.00 33.84 30.75 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 6.68 0.00 -5.07 -1.34 3.32 -1.96 -3.41 116.42 114.64 2npb h ASP 68 Ca 0.53 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.42 2npb h ASP 68 Cb 0.60 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.97 2npb h ASP 68 CO 1.89 0.04 -0.69 0.42 -1.72 0.00 0.00 179.24 179.18 2npb s THR 69 N -3.97 0.18 0.19 0.35 -4.23 -1.26 -5.03 115.64 101.88 2npb s THR 69 Ca -0.02 -1.32 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 2npb s THR 69 Cb 0.11 -0.84 0.17 0.00 1.34 0.00 0.00 72.50 73.29 2npb s THR 69 CO 0.52 -0.72 1.63 -0.08 -0.54 0.00 0.00 174.62 175.43 2npb h GLU 70 N 3.97 -0.05 -0.68 3.99 4.22 -2.00 -1.03 114.58 122.99 2npb h GLU 70 Ca -0.33 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.25 2npb h GLU 70 Cb 1.18 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2npb h GLU 70 CO 0.52 -0.04 0.46 1.03 -2.18 0.00 0.00 179.01 178.81 2npb h SER 71 N -0.06 0.35 0.28 1.04 0.87 -1.96 0.74 113.55 114.81 2npb h SER 71 Ca 0.25 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2npb h SER 71 Cb 0.45 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2npb h SER 71 CO -0.58 0.19 -0.13 0.50 -0.53 0.00 0.00 176.83 176.28 2npb h LYS 72 N 0.38 -0.36 -0.58 2.24 3.64 -1.58 -1.96 116.57 118.34 2npb h LYS 72 Ca 0.33 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 2npb h LYS 72 Cb 0.77 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 2npb h LYS 72 CO -0.09 -0.17 0.31 0.35 -2.27 0.00 0.00 179.45 177.57 2npb h PHE 73 N -0.47 0.57 0.00 1.91 3.57 -0.75 -2.53 116.94 119.24 2npb h PHE 73 Ca -0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2npb h PHE 73 Cb 0.35 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2npb h PHE 73 CO -0.03 0.28 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.10 2npb h ARG 74 N 0.59 0.00 -0.34 1.11 2.43 -0.93 -1.16 114.38 116.07 2npb h ARG 74 Ca 0.26 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 2npb h ARG 74 Cb 0.16 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2npb h ARG 74 CO -0.17 0.14 -0.07 0.87 -1.51 0.00 0.00 179.97 179.23 2npb h LYS 75 N 0.00 0.56 0.02 0.20 6.56 -0.89 -0.47 116.57 122.55 2npb h LYS 75 Ca -0.00 -0.15 -0.03 0.00 -1.06 0.00 0.00 60.65 59.41 2npb h LYS 75 Cb 0.35 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2npb h LYS 75 CO 0.02 0.63 -0.14 1.25 -2.06 0.00 0.00 179.45 179.15 2npb h LEU 76 N 0.52 0.08 -0.63 2.94 6.46 -1.37 -2.64 115.31 120.68 2npb h LEU 76 Ca 0.10 -0.99 0.07 0.00 -0.12 0.00 0.00 57.88 56.95 2npb h LEU 76 Cb 0.44 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 2npb h LEU 76 CO 0.02 1.06 0.31 0.58 -0.62 0.00 0.00 178.44 179.79 2npb h VAL 77 N -0.89 0.88 -0.57 1.05 2.07 -1.25 -0.00 116.25 117.54 2npb h VAL 77 Ca -0.02 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 2npb h VAL 77 Cb 1.10 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2npb h VAL 77 CO 0.03 0.10 -0.06 0.74 0.02 0.00 0.00 177.57 178.39 2npb h THR 78 N 0.55 1.27 0.00 2.57 2.02 -1.21 -1.90 112.91 116.21 2npb h THR 78 Ca 0.30 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.13 2npb h THR 78 Cb 0.28 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2npb h THR 78 CO -0.23 0.44 -0.61 0.00 0.37 0.00 0.00 175.52 175.48 2npb h ALA 79 N 0.95 0.98 0.06 6.16 0.00 -0.83 0.89 119.26 127.48 2npb h ALA 79 Ca 0.15 -0.56 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 2npb h ALA 79 Cb 0.63 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2npb h ALA 79 CO 0.04 0.77 -1.09 0.82 0.00 0.00 0.00 179.25 179.78 2npb h ILE 80 N 0.00 1.39 -0.21 0.00 1.08 -1.01 -1.42 117.51 117.34 2npb h ILE 80 Ca -0.01 -2.60 -0.07 0.00 -0.39 0.00 0.00 64.86 61.80 2npb h ILE 80 Cb 1.09 2.61 -0.00 0.00 -3.07 0.00 0.00 36.82 37.45 2npb h ILE 80 CO 0.08 0.77 -0.15 0.50 -0.69 0.00 0.00 178.15 178.67 2npb h LYS 81 N 0.21 0.47 -0.14 2.37 3.64 -1.07 -0.70 116.57 121.35 2npb h LYS 81 Ca -0.12 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 2npb h LYS 81 Cb 1.76 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 2npb h LYS 81 CO 0.19 0.78 0.05 0.00 -2.27 0.00 0.00 179.45 178.21 2npb h ALA 82 N 0.68 0.18 -0.71 5.00 0.00 -0.91 -1.20 119.26 122.29 2npb h ALA 82 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2npb h ALA 82 Cb 0.67 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2npb h ALA 82 CO 0.04 -0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.53 2npb h ALA 83 N 0.89 1.48 0.42 0.00 0.00 -1.24 -1.70 119.26 119.12 2npb h ALA 83 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2npb h ALA 83 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2npb h ALA 83 CO -0.00 0.48 -0.20 1.25 0.00 0.00 0.00 179.25 180.77 2npb h LEU 84 N 0.97 -0.48 -2.64 0.00 7.12 -0.90 -0.27 115.31 119.10 2npb h LEU 84 Ca 0.26 -0.07 0.01 0.00 0.13 0.00 0.00 57.88 58.21 2npb h LEU 84 Cb -0.11 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2npb h LEU 84 CO -0.06 -0.22 0.04 0.00 -0.13 0.00 0.00 178.44 178.08 2npb h ALA 85 N -0.24 1.33 0.16 1.25 0.00 -1.05 -1.26 119.26 119.45 2npb h ALA 85 Ca -0.06 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 2npb h ALA 85 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2npb h ALA 85 CO 0.10 -0.05 -1.59 0.37 0.00 0.00 0.00 179.25 178.08 2npb h GLN 86 N 0.00 0.33 -0.54 0.00 4.15 -1.09 -3.28 115.11 114.67 2npb h GLN 86 Ca 0.01 -0.57 -0.01 0.00 0.77 0.00 0.00 58.65 58.85 2npb h GLN 86 Cb 0.09 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2npb h GLN 86 CO -0.00 1.22 0.30 0.00 -1.93 0.00 0.00 178.83 178.42