#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 -0.14 -0.04 -5.12 0.00 -1.26 -4.24 121.76 110.96 2npb s ALA 2 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2npb s ALA 2 Cb 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.22 2npb s ALA 2 CO 0.00 -4.17 -0.08 -1.17 0.00 0.00 0.00 175.76 170.33 2npb s LEU 3 N -7.46 1.63 -0.20 0.00 2.96 -0.93 -4.97 118.68 109.72 2npb s LEU 3 Ca 0.70 -0.19 -0.18 0.00 -0.22 0.00 0.00 54.13 54.24 2npb s LEU 3 Cb -0.11 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 2npb s LEU 3 CO 0.57 0.03 0.50 0.00 -1.32 0.00 0.00 176.35 176.13 2npb s ALA 4 N 0.48 3.54 0.10 5.97 0.00 -1.26 -0.20 121.76 130.39 2npb s ALA 4 Ca -0.08 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2npb s ALA 4 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2npb s ALA 4 CO 0.01 -0.43 -0.07 0.08 0.00 0.00 0.00 175.76 175.35 2npb s VAL 5 N 1.60 3.56 0.06 0.00 1.01 0.20 -0.74 120.40 126.08 2npb s VAL 5 Ca 0.23 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2npb s VAL 5 Cb -0.15 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2npb s VAL 5 CO 0.09 0.13 -0.05 -0.13 0.00 0.00 0.00 175.10 175.14 2npb s ARG 6 N -2.20 0.60 -0.20 2.72 1.81 0.65 -0.77 118.95 121.55 2npb s ARG 6 Ca 0.22 -1.01 -0.03 0.00 -1.72 0.00 0.00 55.73 53.19 2npb s ARG 6 Cb -0.11 -0.08 0.06 0.00 -0.45 0.00 0.00 34.95 34.37 2npb s ARG 6 CO 0.15 -0.03 0.05 0.08 -0.68 0.00 0.00 175.30 174.88 2npb s VAL 7 N -2.65 0.38 -0.06 3.52 1.01 -0.79 -1.40 120.40 120.42 2npb s VAL 7 Ca -0.01 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 2npb s VAL 7 Cb -0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2npb s VAL 7 CO -0.04 -0.26 0.92 -0.69 0.00 0.00 0.00 175.10 175.03 2npb s VAL 8 N 1.92 4.88 0.08 2.92 1.01 -0.70 -2.61 120.40 127.89 2npb s VAL 8 Ca 0.00 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 63.81 2npb s VAL 8 Cb -0.17 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2npb s VAL 8 CO -0.10 0.13 0.15 -0.47 0.00 0.00 0.00 175.10 174.80 2npb s TYR 9 N 1.33 0.22 -0.43 5.22 5.04 -1.26 -1.05 117.35 126.41 2npb s TYR 9 Ca 0.47 -0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 54.29 2npb s TYR 9 Cb -0.19 -0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.03 2npb s TYR 9 CO 0.22 -0.51 0.35 -1.54 -1.34 0.00 0.00 175.55 172.74 2npb s SER 10 N -2.83 6.13 -0.29 4.32 1.04 -1.26 -3.72 113.70 117.10 2npb s SER 10 Ca 0.05 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 2npb s SER 10 Cb 0.05 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 2npb s SER 10 CO -0.10 -0.54 1.55 0.61 0.98 0.00 0.00 173.24 175.74 2npb n GLY 11 N 5.17 2.11 2.52 7.32 0.00 -1.26 -4.80 105.19 116.24 2npb n GLY 11 Ca -0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 3.84 5.34 -1.16 4.61 0.00 -1.26 -4.89 120.51 126.98 2npb n ALA 12 Ca 0.20 -2.28 0.10 0.00 0.00 0.00 0.00 53.44 51.46 2npb n ALA 12 Cb 0.16 -3.04 -0.03 0.00 0.00 0.00 0.00 19.45 16.55 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 -2.19 0.00 0.27 0.00 0.00 -1.26 -4.81 105.19 97.20 2npb n GLY 14 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.91 -0.26 1.61 -0.00 -1.93 -3.29 116.97 114.01 2npb h TYR 15 Ca 0.00 -0.21 0.04 0.00 -0.00 0.00 0.00 58.73 58.55 2npb h TYR 15 Cb 0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 36.73 36.45 2npb h TYR 15 CO 0.00 0.95 -0.47 0.87 -0.00 0.00 0.00 178.16 179.51 2npb h LYS 16 N 0.70 -0.38 -0.54 0.10 1.79 -1.99 0.91 116.57 117.15 2npb h LYS 16 Ca 0.09 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2npb h LYS 16 Cb 0.75 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 2npb h LYS 16 CO 0.06 -0.25 0.11 -1.00 -1.08 0.00 0.00 179.45 177.29 2npb h PRO 17 N -0.39 0.84 -0.91 3.15 0.13 -1.99 -0.90 132.00 131.93 2npb h PRO 17 Ca 0.05 -0.18 0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2npb h PRO 17 Cb 0.53 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.49 2npb h PRO 17 CO -0.46 0.77 0.59 -0.22 -0.23 0.00 0.00 178.00 178.45 2npb h LYS 18 N 0.81 1.10 0.42 0.86 3.64 -1.49 -0.99 116.57 120.92 2npb h LYS 18 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2npb h LYS 18 Cb 0.33 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2npb h LYS 18 CO 0.00 0.73 -0.20 1.88 -2.27 0.00 0.00 179.45 179.59 2npb h TYR 19 N 1.14 -0.53 -0.97 1.91 -1.99 -0.71 -3.38 116.97 112.44 2npb h TYR 19 Ca 0.36 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.21 2npb h TYR 19 Cb 0.01 0.17 -0.08 0.00 2.00 0.00 0.00 36.73 38.83 2npb h TYR 19 CO -0.01 -0.33 0.62 -0.07 -0.00 0.00 0.00 178.16 178.36 2npb h LEU 20 N -0.64 0.84 -1.95 3.88 4.07 -0.87 0.12 115.31 120.76 2npb h LEU 20 Ca -0.06 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2npb h LEU 20 Cb 0.44 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2npb h LEU 20 CO 0.10 0.43 0.00 -0.61 -1.08 0.00 0.00 178.44 177.28 2npb h GLN 21 N 0.89 0.00 0.06 1.13 -0.00 -1.36 0.26 115.11 116.10 2npb h GLN 21 Ca 0.49 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.85 2npb h GLN 21 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 2npb h GLN 21 CO -0.26 0.00 -1.60 1.25 0.00 0.00 0.00 178.83 178.22 2npb h LEU 22 N 0.00 0.21 0.20 -2.39 6.46 -1.35 -3.38 115.31 115.05 2npb h LEU 22 Ca 0.00 -0.72 -0.01 0.00 -0.12 0.00 0.00 57.88 57.03 2npb h LEU 22 Cb 0.30 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 2npb h LEU 22 CO 0.00 1.66 -0.10 0.50 -0.62 0.00 0.00 178.44 179.89 2npb h LYS 23 N -0.49 -0.26 0.00 1.25 3.64 0.06 -1.74 116.57 119.03 2npb h LYS 23 Ca -0.38 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2npb h LYS 23 Cb 1.65 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 2npb h LYS 23 CO -0.07 0.08 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 2npb n GLU 24 N -5.05 0.42 -0.07 1.90 4.71 0.83 -1.77 120.64 121.63 2npb n GLU 24 Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.02 2npb n GLU 24 Cb 0.24 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.15 2npb n GLU 24 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2npb h LYS 25 N 0.00 0.00 -0.68 3.49 6.56 -1.55 -3.34 116.57 121.05 2npb h LYS 25 Ca 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2npb h LYS 25 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 2npb h LYS 25 CO 0.00 0.09 0.45 1.25 -2.06 0.00 0.00 179.45 179.17 2npb h LEU 26 N -1.00 0.74 -0.68 2.94 5.85 -0.49 0.21 115.31 122.87 2npb h LEU 26 Ca -0.02 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 2npb h LEU 26 Cb 0.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2npb h LEU 26 CO -0.01 0.52 -0.57 -0.33 -0.34 0.00 0.00 178.44 177.71 2npb h GLU 27 N 0.86 0.26 -0.65 1.25 5.08 -1.66 -2.20 114.58 117.52 2npb h GLU 27 Ca 0.26 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2npb h GLU 27 Cb -0.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2npb h GLU 27 CO -0.06 0.76 0.22 1.25 -1.00 0.00 0.00 179.01 180.17 2npb h HIS 28 N 0.20 1.04 -0.43 4.33 -0.00 -0.85 -2.32 115.15 117.11 2npb h HIS 28 Ca -0.00 -0.10 -0.12 0.00 -0.00 0.00 0.00 60.37 60.15 2npb h HIS 28 Cb 1.06 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 2npb h HIS 28 CO 0.02 0.84 -0.20 0.93 -0.00 0.00 0.00 177.93 179.52 2npb h GLU 29 N 0.94 0.90 -1.08 5.26 3.07 -0.86 -3.39 114.58 119.41 2npb h GLU 29 Ca 0.21 -0.39 -0.41 0.00 -0.50 0.00 0.00 59.36 58.27 2npb h GLU 29 Cb 0.28 -0.03 -0.41 0.00 -0.84 0.00 0.00 28.75 27.76 2npb h GLU 29 CO -0.01 1.04 -1.08 1.19 -1.40 0.00 0.00 179.01 178.76 2npb n PHE 30 N -4.19 1.71 -1.89 4.33 3.72 -0.83 -5.10 117.46 115.22 2npb n PHE 30 Ca -0.01 -2.82 -0.41 0.00 -0.05 0.00 0.00 57.45 54.16 2npb n PHE 30 Cb 0.44 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 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 -3.27 4.18 0.00 -1.08 0.04 -0.88 -2.88 135.00 131.12 2npb s PRO 31 Ca 0.32 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2npb s PRO 31 Cb 0.44 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2npb s PRO 31 CO -0.02 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2npb n GLY 32 N 1.19 0.85 0.20 0.56 0.00 -1.26 -4.57 105.19 102.15 2npb n GLY 32 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.18 1.97 0.09 0.00 1.43 -1.14 -2.18 118.68 113.67 2npb s LEU 34 Ca 0.02 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 2npb s LEU 34 Cb 0.09 0.60 -0.03 0.00 0.03 0.00 0.00 46.19 46.87 2npb s LEU 34 CO 0.44 -0.65 -0.18 -0.62 0.23 0.00 0.00 176.35 175.57 2npb s ASP 35 N -2.84 2.15 -0.02 2.29 2.15 0.72 -4.87 116.67 116.25 2npb s ASP 35 Ca 0.05 -0.67 0.01 0.00 0.43 0.00 0.00 52.55 52.37 2npb s ASP 35 Cb 0.06 -0.10 0.02 0.00 -0.30 0.00 0.00 42.92 42.60 2npb s ASP 35 CO -0.10 -0.01 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.25 2npb s ILE 36 N -1.30 0.20 0.39 4.11 1.09 -1.26 -0.63 121.20 123.80 2npb s ILE 36 Ca 0.03 0.01 0.04 0.00 -1.10 0.00 0.00 60.65 59.63 2npb s ILE 36 Cb -0.10 -0.25 -0.01 0.00 -1.06 0.00 0.00 42.46 41.04 2npb s ILE 36 CO 0.03 0.12 0.14 0.00 -0.10 0.00 0.00 174.94 175.13 2npb s GLY 38 N -3.38 -0.29 -0.33 0.00 0.00 -1.26 -1.89 107.32 100.17 2npb s GLY 38 Ca 0.20 1.23 0.16 0.00 0.00 0.00 0.00 44.72 46.32 2npb s GLY 38 CO 0.14 1.22 1.02 1.18 0.00 0.00 0.00 173.10 176.67 2npb n GLU 39 N 3.47 1.82 -1.99 2.90 1.02 -1.07 -4.97 120.64 121.82 2npb n GLU 39 Ca -0.18 -3.59 -0.26 0.00 -0.02 0.00 0.00 57.16 53.12 2npb n GLU 39 Cb 0.56 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 2npb n GLU 39 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2npb s GLY 40 N -3.36 -0.04 0.41 0.62 0.00 -1.26 -4.61 107.32 99.08 2npb s GLY 40 Ca 0.32 -1.92 -0.26 0.00 0.00 0.00 0.00 44.72 42.87 2npb s GLY 40 CO -0.02 3.67 1.23 -0.37 0.00 0.00 0.00 173.10 177.61 2npb n THR 41 N 8.01 2.49 -1.00 0.90 5.66 -1.24 -4.75 114.28 124.34 2npb n THR 41 Ca 0.44 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.84 2npb n THR 41 Cb 0.47 -1.50 0.07 0.00 -1.55 0.00 0.00 70.33 67.82 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 0.11 -1.04 0.00 1.09 -0.04 -1.26 -4.44 135.00 129.43 2npb n PRO 42 Ca 0.07 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2npb n PRO 42 Cb 0.39 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 2npb n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2npb n GLN 43 N -2.24 0.00 -2.07 0.54 7.27 -1.26 -4.89 117.38 114.72 2npb n GLN 43 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 2npb n GLN 43 Cb 0.19 -0.07 0.02 0.00 2.41 0.00 0.00 30.24 32.80 2npb n GLN 43 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2npb s VAL 44 N 0.00 2.74 0.19 1.69 1.01 -1.26 -5.06 120.40 119.70 2npb s VAL 44 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 2npb s VAL 44 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2npb s VAL 44 CO 0.00 -0.08 0.34 0.28 0.00 0.00 0.00 175.10 175.63 2npb s THR 45 N -1.60 0.04 -1.77 3.92 -1.32 -1.26 -4.75 115.64 108.91 2npb s THR 45 Ca 0.75 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 2npb s THR 45 Cb -0.30 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 2npb s THR 45 CO 0.33 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 2npb n GLY 46 N -0.27 0.38 3.52 6.08 0.00 -1.26 -4.97 105.19 108.67 2npb n GLY 46 Ca -0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2npb n GLY 46 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2npb n PHE 47 N -3.47 0.63 0.00 1.61 -1.74 -1.26 -4.60 117.46 108.63 2npb n PHE 47 Ca -0.21 -2.59 0.00 0.00 -0.56 0.00 0.00 57.45 54.09 2npb n PHE 47 Cb 0.66 -0.16 0.00 0.00 1.52 0.00 0.00 39.48 41.49 2npb n PHE 47 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2npb n PHE 48 N -1.09 0.00 -3.55 2.97 -0.00 -1.24 -4.44 117.46 110.11 2npb n PHE 48 Ca -0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.91 2npb n PHE 48 Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 40.01 2npb n PHE 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2npb s GLU 49 N 0.00 3.19 -0.18 -4.13 8.01 -0.22 -3.11 118.70 122.26 2npb s GLU 49 Ca 0.00 -0.85 -0.06 0.00 0.01 0.00 0.00 54.97 54.08 2npb s GLU 49 Cb 0.00 -3.79 -0.03 0.00 -4.31 0.00 0.00 34.13 25.99 2npb s GLU 49 CO 0.00 -0.57 0.02 0.08 0.01 0.00 0.00 175.26 174.79 2npb s VAL 50 N 1.66 4.27 0.03 2.63 1.01 -0.57 -1.73 120.40 127.70 2npb s VAL 50 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2npb s VAL 50 Cb -0.18 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2npb s VAL 50 CO 0.09 0.45 -0.10 -0.89 0.00 0.00 0.00 175.10 174.65 2npb s THR 51 N 0.60 0.76 -0.05 3.92 2.01 -0.49 -0.56 115.64 121.82 2npb s THR 51 Ca 0.00 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.23 2npb s THR 51 Cb -0.14 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.67 2npb s THR 51 CO 0.02 -0.07 -0.13 0.54 -0.69 0.00 0.00 174.62 174.29 2npb s VAL 52 N -0.80 1.16 -1.79 3.82 0.11 -0.09 -0.25 120.40 122.54 2npb s VAL 52 Ca -0.02 -0.52 -0.22 0.00 -2.93 0.00 0.00 61.98 58.29 2npb s VAL 52 Cb -0.07 -1.03 0.22 0.00 -1.53 0.00 0.00 36.38 33.96 2npb s VAL 52 CO 0.01 0.35 0.62 0.00 -3.33 0.00 0.00 175.10 172.75 2npb n ALA 53 N 3.55 -1.21 -2.22 1.54 0.00 0.08 -0.58 120.51 121.67 2npb n ALA 53 Ca -0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2npb n ALA 53 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 -1.11 0.21 2.75 0.00 0.00 -1.26 -5.05 105.19 100.72 2npb n GLY 54 Ca 0.11 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.46 0.65 0.33 1.61 -0.14 0.25 -5.14 119.74 112.84 2npb s LYS 55 Ca 0.03 -0.23 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 2npb s LYS 55 Cb -0.01 -1.71 -0.11 0.00 -1.68 0.00 0.00 37.83 34.31 2npb s LYS 55 CO 0.03 -0.52 1.54 -1.17 -0.76 0.00 0.00 175.35 174.48 2npb s LEU 56 N 1.90 4.33 0.00 3.17 0.20 -1.26 -0.92 118.68 126.11 2npb s LEU 56 Ca 0.01 2.99 0.00 0.00 0.69 0.00 0.00 54.13 57.82 2npb s LEU 56 Cb -0.15 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 41.96 2npb s LEU 56 CO -0.07 -0.89 0.00 0.52 -0.29 0.00 0.00 176.35 175.62 2npb n VAL 57 N 1.42 0.00 -3.79 1.68 0.31 0.28 -4.92 118.33 113.30 2npb n VAL 57 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 2npb n VAL 57 Cb 0.38 -0.05 -0.09 0.00 -0.91 0.00 0.00 33.84 33.18 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 -1.87 -0.10 -0.34 3.52 5.65 -1.13 -5.01 115.29 116.01 2npb s HIS 58 Ca 0.00 0.11 0.01 0.00 0.25 0.00 0.00 55.06 55.44 2npb s HIS 58 Cb 0.00 0.05 0.14 0.00 -1.18 0.00 0.00 32.58 31.59 2npb s HIS 58 CO 0.00 -0.37 0.31 0.45 -0.65 0.00 0.00 174.74 174.48 2npb s SER 59 N -1.42 1.72 0.50 9.88 0.15 -1.26 -1.51 113.70 121.76 2npb s SER 59 Ca -0.13 -1.41 0.17 0.00 0.70 0.00 0.00 55.95 55.28 2npb s SER 59 Cb -0.05 0.35 1.21 0.00 -1.71 0.00 0.00 66.02 65.82 2npb s SER 59 CO 0.03 -0.32 2.08 0.50 1.20 0.00 0.00 173.24 176.73 2npb h LYS 60 N 7.49 0.13 -0.09 5.44 3.11 -1.62 0.15 116.57 131.18 2npb h LYS 60 Ca -0.02 -0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.63 2npb h LYS 60 Cb 1.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2npb h LYS 60 CO 0.26 0.08 -0.71 -0.22 -2.81 0.00 0.00 179.45 176.06 2npb h LYS 61 N 0.13 0.41 0.00 1.90 3.11 -1.86 -3.08 116.57 117.18 2npb h LYS 61 Ca 0.12 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2npb h LYS 61 Cb 0.32 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 2npb h LYS 61 CO -0.02 0.96 0.00 2.89 -2.81 0.00 0.00 179.45 180.48 2npb n ARG 62 N -3.85 0.13 -0.68 1.90 -4.01 -1.05 -4.90 116.66 104.20 2npb n ARG 62 Ca -0.04 0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 2npb n ARG 62 Cb 0.69 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.61 2npb n ARG 62 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2npb n GLY 63 N 0.87 1.27 0.08 2.89 0.00 -1.11 -5.00 105.19 104.19 2npb n GLY 63 Ca 0.08 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.75 0.54 0.00 1.61 2.03 0.02 -5.01 116.55 116.48 2npb n ASP 64 Ca 0.00 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2npb n ASP 64 Cb 0.15 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 2npb n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2npb n GLY 65 N 0.73 -2.30 0.00 0.27 0.00 -1.26 -4.91 105.19 97.71 2npb n GLY 65 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.29 -3.18 -2.21 1.61 4.01 -1.26 -3.70 117.16 112.15 2npb n TYR 66 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 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 -1.51 3.32 0.96 -0.72 0.24 -1.26 -4.73 118.33 114.62 2npb n VAL 67 Ca 0.00 -3.31 0.13 0.00 -2.04 0.00 0.00 64.34 59.11 2npb n VAL 67 Cb 0.00 -2.37 0.58 0.00 -1.47 0.00 0.00 33.84 30.58 2npb n VAL 67 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2npb n ASP 68 N 8.97 0.00 -3.76 -1.34 8.00 -1.26 -4.75 116.55 122.41 2npb n ASP 68 Ca 0.49 0.40 -0.10 0.00 0.71 0.00 0.00 54.79 56.30 2npb n ASP 68 Cb 0.44 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.93 0.08 0.15 -3.53 2.01 -1.26 -5.02 115.64 105.14 2npb s THR 69 Ca 0.15 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 2npb s THR 69 Cb 0.17 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2npb s THR 69 CO 0.47 -0.37 1.58 -0.08 -0.69 0.00 0.00 174.62 175.52 2npb h GLU 70 N 2.47 -0.31 -0.11 4.92 4.22 -1.99 0.20 114.58 123.98 2npb h GLU 70 Ca -0.33 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.16 2npb h GLU 70 Cb 1.24 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2npb h GLU 70 CO 0.48 -0.21 0.09 1.03 -2.18 0.00 0.00 179.01 178.22 2npb h SER 71 N -0.32 0.00 0.25 1.04 0.87 -1.98 0.19 113.55 113.60 2npb h SER 71 Ca 0.14 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.37 2npb h SER 71 Cb 0.58 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.58 2npb h SER 71 CO -0.57 0.00 -1.47 0.50 -0.53 0.00 0.00 176.83 174.77 2npb h LYS 72 N 0.00 0.52 -0.43 2.24 3.64 -1.57 -3.04 116.57 117.94 2npb h LYS 72 Ca 0.05 -0.89 -0.02 0.00 -1.27 0.00 0.00 60.65 58.52 2npb h LYS 72 Cb 0.23 0.33 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2npb h LYS 72 CO -0.00 1.43 0.20 0.35 -2.27 0.00 0.00 179.45 179.16 2npb h PHE 73 N 0.11 0.62 0.00 1.91 3.57 0.16 -3.14 116.94 120.17 2npb h PHE 73 Ca -0.26 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 2npb h PHE 73 Cb 2.14 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.69 2npb h PHE 73 CO 0.13 0.51 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.62 2npb h ARG 74 N 0.55 0.00 -0.26 1.11 2.43 -0.77 0.15 114.38 117.58 2npb h ARG 74 Ca 0.15 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2npb h ARG 74 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2npb h ARG 74 CO -0.02 0.02 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.22 2npb h LYS 75 N 0.00 0.05 0.08 0.20 1.63 -1.48 0.56 116.57 117.62 2npb h LYS 75 Ca -0.00 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2npb h LYS 75 Cb 0.05 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2npb h LYS 75 CO 0.00 0.04 -0.04 1.25 -3.45 0.00 0.00 179.45 177.25 2npb h LEU 76 N 0.06 -0.09 -0.89 5.20 5.85 -0.85 -1.58 115.31 123.00 2npb h LEU 76 Ca 0.13 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2npb h LEU 76 Cb 0.17 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2npb h LEU 76 CO -0.23 0.36 0.56 0.58 -0.34 0.00 0.00 178.44 179.37 2npb h VAL 77 N -0.56 1.05 -0.40 1.05 2.07 -1.23 0.17 116.25 118.40 2npb h VAL 77 Ca -0.01 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 2npb h VAL 77 Cb 0.47 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2npb h VAL 77 CO 0.02 0.19 -0.09 0.74 0.02 0.00 0.00 177.57 178.45 2npb h THR 78 N 1.02 1.27 -0.04 2.57 2.02 -0.91 -2.13 112.91 116.71 2npb h THR 78 Ca 0.39 -1.17 -0.21 0.00 0.77 0.00 0.00 66.41 66.19 2npb h THR 78 Cb 0.18 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2npb h THR 78 CO -0.18 0.39 -0.84 0.00 0.37 0.00 0.00 175.52 175.26 2npb h ALA 79 N 0.85 0.45 0.01 6.16 0.00 -0.28 -2.58 119.26 123.87 2npb h ALA 79 Ca 0.10 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 2npb h ALA 79 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2npb h ALA 79 CO 0.04 0.78 -0.90 0.82 0.00 0.00 0.00 179.25 179.99 2npb h ILE 80 N 0.28 1.61 -0.31 0.00 1.08 -0.74 -0.14 117.51 119.29 2npb h ILE 80 Ca -0.06 -2.96 -0.03 0.00 -0.39 0.00 0.00 64.86 61.42 2npb h ILE 80 Cb 1.45 2.62 -0.01 0.00 -3.07 0.00 0.00 36.82 37.81 2npb h ILE 80 CO 0.15 0.85 0.08 0.50 -0.69 0.00 0.00 178.15 179.04 2npb h LYS 81 N 0.02 0.49 -0.12 2.37 3.11 -1.36 -0.15 116.57 120.92 2npb h LYS 81 Ca -0.02 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.70 2npb h LYS 81 Cb 1.57 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.73 2npb h LYS 81 CO 0.12 0.56 0.05 0.00 -2.81 0.00 0.00 179.45 177.37 2npb h ALA 82 N 0.91 0.15 -0.06 5.00 0.00 -1.28 -2.38 119.26 121.61 2npb h ALA 82 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2npb h ALA 82 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2npb h ALA 82 CO 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 179.25 178.90 2npb h ALA 83 N 0.89 1.74 0.44 0.00 0.00 -0.94 -2.70 119.26 118.70 2npb h ALA 83 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2npb h ALA 83 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2npb h ALA 83 CO -0.00 0.19 -0.21 1.25 0.00 0.00 0.00 179.25 180.48 2npb h LEU 84 N 0.08 -0.50 -0.52 0.00 7.12 -0.90 -2.55 115.31 118.06 2npb h LEU 84 Ca 0.02 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2npb h LEU 84 Cb 0.22 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2npb h LEU 84 CO 0.01 -0.17 0.00 0.00 -0.13 0.00 0.00 178.44 178.15 2npb n ALA 85 N -2.50 1.17 -0.04 1.25 0.00 -0.91 -0.64 120.51 118.84 2npb n ALA 85 Ca -0.11 0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2npb n ALA 85 Cb 0.29 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2npb n ALA 85 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2npb h GLN 86 N 0.00 -0.02 0.00 0.00 1.08 -1.42 -3.38 115.11 111.37 2npb h GLN 86 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2npb h GLN 86 Cb 0.07 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2npb h GLN 86 CO 0.00 0.07 -0.10 0.00 -0.95 0.00 0.00 178.83 177.85