#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb s ALA 2 N 0.00 0.16 0.00 3.04 0.00 -1.26 -4.51 121.76 119.18 2hnb s ALA 2 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2hnb s ALA 2 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2hnb s ALA 2 CO 0.00 -0.53 0.00 -3.47 0.00 0.00 0.00 175.76 171.76 2hnb n ASP 3 N -0.09 2.04 -3.82 0.00 2.03 -0.38 -4.85 116.55 111.47 2hnb n ASP 3 Ca -0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 2hnb n ASP 3 Cb 0.63 0.24 -0.13 0.00 -0.72 0.00 0.00 41.12 41.14 2hnb n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hnb s ILE 4 N -1.32 2.27 -0.44 5.18 1.01 -0.45 -4.07 121.20 123.38 2hnb s ILE 4 Ca 0.00 -3.54 -0.29 0.00 0.00 0.00 0.00 60.65 56.82 2hnb s ILE 4 Cb 0.00 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.95 2hnb s ILE 4 CO 0.00 -0.96 1.37 -0.89 0.00 0.00 0.00 174.94 174.46 2hnb s THR 5 N -0.66 3.94 0.58 2.92 2.01 -1.25 -3.38 115.64 119.79 2hnb s THR 5 Ca 0.22 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 63.01 2hnb s THR 5 Cb -0.13 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2hnb s THR 5 CO -0.10 -0.84 1.05 -0.76 -0.69 0.00 0.00 174.62 173.28 2hnb s LEU 6 N 5.35 3.53 -0.48 4.42 1.02 0.66 -3.16 118.68 130.01 2hnb s LEU 6 Ca 0.58 1.80 0.03 0.00 0.02 0.00 0.00 54.13 56.56 2hnb s LEU 6 Cb -0.12 -4.53 0.14 0.00 0.02 0.00 0.00 46.19 41.69 2hnb s LEU 6 CO 0.32 -1.09 0.27 -0.63 0.02 0.00 0.00 176.35 175.23 2hnb s ILE 7 N -2.44 1.78 0.45 -0.59 1.01 0.23 -1.28 121.20 120.36 2hnb s ILE 7 Ca 0.63 -2.89 -0.23 0.00 0.00 0.00 0.00 60.65 58.16 2hnb s ILE 7 Cb -0.16 -2.24 -0.08 0.00 0.01 0.00 0.00 42.46 40.00 2hnb s ILE 7 CO 0.35 -0.89 1.17 -0.44 0.00 0.00 0.00 174.94 175.14 2hnb s SER 8 N 0.04 6.22 -0.34 3.58 0.01 0.17 -1.64 113.70 121.74 2hnb s SER 8 Ca 0.19 2.33 0.16 0.00 1.31 0.00 0.00 55.95 59.94 2hnb s SER 8 Cb -0.22 -2.61 0.44 0.00 0.21 0.00 0.00 66.02 63.85 2hnb s SER 8 CO -0.02 -0.89 1.06 0.61 0.41 0.00 0.00 173.24 174.41 2hnb n GLY 9 N 0.49 1.47 3.38 3.44 0.00 -1.19 -1.66 105.19 111.12 2hnb n GLY 9 Ca 0.07 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 2hnb n GLY 9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hnb s SER 10 N -2.64 2.81 -0.03 1.61 1.04 -1.26 -2.40 113.70 112.83 2hnb s SER 10 Ca 0.26 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.75 2hnb s SER 10 Cb 0.44 -0.17 -0.23 0.00 0.10 0.00 0.00 66.02 66.15 2hnb s SER 10 CO 0.01 -0.13 0.73 0.71 0.98 0.00 0.00 173.24 175.53 2hnb h THR 11 N 2.48 0.95 0.00 2.02 1.35 -1.98 -3.45 112.91 114.29 2hnb h THR 11 Ca -0.39 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 2hnb h THR 11 Cb 1.23 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 2hnb h THR 11 CO 0.62 0.60 0.00 0.00 -0.25 0.00 0.00 175.52 176.49 2hnb n LEU 12 N -3.14 0.00 0.00 3.87 -0.00 -1.26 -5.03 117.00 111.43 2hnb n LEU 12 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2hnb n LEU 12 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.46 2hnb n LEU 12 CO 0.45 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2hnb n GLY 13 N 0.50 1.05 0.00 1.47 0.00 -1.26 -5.06 105.19 101.89 2hnb n GLY 13 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2hnb n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hnb n GLY 14 N -0.09 2.05 0.26 -0.02 0.00 -1.26 -4.81 105.19 101.32 2hnb n GLY 14 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 2hnb n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 15 N 0.00 0.73 -0.10 4.61 0.00 -1.93 -1.74 119.26 120.83 2hnb h ALA 15 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2hnb h ALA 15 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2hnb h ALA 15 CO 0.00 0.45 -0.33 1.05 0.00 0.00 0.00 179.25 180.42 2hnb h GLU 16 N 0.79 0.19 -0.12 0.00 4.11 -1.90 0.71 114.58 118.36 2hnb h GLU 16 Ca 0.17 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.47 2hnb h GLU 16 Cb 0.37 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2hnb h GLU 16 CO 0.00 0.50 -0.14 1.88 0.07 0.00 0.00 179.01 181.32 2hnb h TYR 17 N 0.17 0.38 -0.27 2.06 0.05 -1.82 -1.32 116.97 116.22 2hnb h TYR 17 Ca 0.02 -0.12 -0.12 0.00 0.05 0.00 0.00 58.73 58.57 2hnb h TYR 17 Cb 0.67 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 2hnb h TYR 17 CO 0.01 0.74 -0.32 0.28 -1.05 0.00 0.00 178.16 177.82 2hnb h VAL 18 N -0.09 1.28 -0.81 -2.88 2.07 -1.19 -2.58 116.25 112.05 2hnb h VAL 18 Ca 0.02 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.14 2hnb h VAL 18 Cb 0.68 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 2hnb h VAL 18 CO 0.03 0.45 0.52 0.00 0.02 0.00 0.00 177.57 178.60 2hnb h ALA 19 N 1.17 1.06 -0.68 1.67 0.00 -0.78 -0.14 119.26 121.56 2hnb h ALA 19 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2hnb h ALA 19 Cb 0.79 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2hnb h ALA 19 CO 0.06 0.35 0.32 1.49 0.00 0.00 0.00 179.25 181.47 2hnb h GLU 20 N 1.02 0.98 -0.27 0.00 4.81 -0.87 0.11 114.58 120.36 2hnb h GLU 20 Ca 0.32 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2hnb h GLU 20 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2hnb h GLU 20 CO -0.11 0.79 0.01 0.45 -0.73 0.00 0.00 179.01 179.41 2hnb h HIS 21 N 0.94 0.51 -0.65 0.92 3.86 -1.08 -1.31 115.15 118.34 2hnb h HIS 21 Ca 0.23 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2hnb h HIS 21 Cb 0.14 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2hnb h HIS 21 CO 0.01 0.62 0.43 -0.07 0.86 0.00 0.00 177.93 179.78 2hnb h LEU 22 N 0.26 0.75 -0.66 2.43 3.38 -0.81 -1.39 115.31 119.26 2hnb h LEU 22 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2hnb h LEU 22 Cb 0.41 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2hnb h LEU 22 CO 0.01 0.54 0.34 0.00 0.09 0.00 0.00 178.44 179.43 2hnb h ALA 23 N 1.24 0.85 -0.46 1.53 0.00 -0.65 -0.32 119.26 121.45 2hnb h ALA 23 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2hnb h ALA 23 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2hnb h ALA 23 CO -0.05 0.39 0.18 1.49 0.00 0.00 0.00 179.25 181.25 2hnb h GLU 24 N 0.91 0.70 -0.81 0.00 4.81 -0.81 -0.18 114.58 119.20 2hnb h GLU 24 Ca 0.23 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2hnb h GLU 24 Cb 0.08 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 2hnb h GLU 24 CO -0.03 0.64 0.37 0.87 -0.73 0.00 0.00 179.01 180.13 2hnb h LYS 25 N 0.61 1.18 -0.66 1.92 1.79 -0.97 -1.32 116.57 119.12 2hnb h LYS 25 Ca 0.15 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 2hnb h LYS 25 Cb 0.21 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2hnb h LYS 25 CO -0.01 0.92 0.22 -0.07 -1.08 0.00 0.00 179.45 179.42 2hnb h LEU 26 N 1.15 0.93 -0.79 2.94 3.38 -0.75 -0.68 115.31 121.49 2hnb h LEU 26 Ca 0.28 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2hnb h LEU 26 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2hnb h LEU 26 CO -0.03 0.86 0.09 -0.33 0.09 0.00 0.00 178.44 179.11 2hnb h GLU 27 N 0.97 1.00 -0.35 1.13 5.08 -0.46 0.56 114.58 122.50 2hnb h GLU 27 Ca 0.22 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2hnb h GLU 27 Cb 0.26 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2hnb h GLU 27 CO -0.01 0.93 -0.15 0.93 -1.00 0.00 0.00 179.01 179.70 2hnb h GLU 28 N 0.94 0.63 0.00 2.33 4.39 -0.94 -2.14 114.58 119.79 2hnb h GLU 28 Ca 0.19 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2hnb h GLU 28 Cb 0.42 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2hnb h GLU 28 CO 0.01 0.75 -0.28 0.00 -1.16 0.00 0.00 179.01 178.34 2hnb h ALA 29 N 1.27 1.18 0.00 3.43 0.00 -0.65 -3.47 119.26 121.01 2hnb h ALA 29 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hnb h ALA 29 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2hnb h ALA 29 CO 0.04 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2hnb n GLY 30 N -0.22 0.93 3.78 0.00 0.00 0.04 -5.08 105.19 104.64 2hnb n GLY 30 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2hnb n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hnb s PHE 31 N -1.76 3.77 0.27 1.61 0.08 -0.32 -4.94 117.98 116.70 2hnb s PHE 31 Ca 0.00 1.69 -0.27 0.00 0.12 0.00 0.00 56.93 58.47 2hnb s PHE 31 Cb 0.00 -2.83 -0.09 0.00 -0.57 0.00 0.00 43.02 39.52 2hnb s PHE 31 CO 0.00 0.34 0.90 0.95 -0.10 0.00 0.00 175.22 177.31 2hnb s THR 32 N -1.44 4.21 0.18 0.64 -4.23 -1.26 -3.59 115.64 110.15 2hnb s THR 32 Ca 0.44 1.85 0.01 0.00 -1.18 0.00 0.00 61.69 62.81 2hnb s THR 32 Cb -0.20 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 2hnb s THR 32 CO 0.25 0.31 0.05 0.42 -0.54 0.00 0.00 174.62 175.11 2hnb s THR 33 N -1.41 0.40 0.10 3.99 -4.23 -1.26 -1.25 115.64 111.98 2hnb s THR 33 Ca 0.45 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.87 2hnb s THR 33 Cb -0.21 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.42 2hnb s THR 33 CO 0.27 -0.34 0.30 -0.70 -0.54 0.00 0.00 174.62 173.60 2hnb s GLU 34 N -4.00 0.94 -0.57 3.99 2.56 -1.22 -4.70 118.70 115.70 2hnb s GLU 34 Ca 0.28 -0.80 0.05 0.00 0.00 0.00 0.00 54.97 54.50 2hnb s GLU 34 Cb 0.07 0.40 0.20 0.00 2.00 0.00 0.00 34.13 36.80 2hnb s GLU 34 CO 0.06 -0.33 0.51 0.25 -0.56 0.00 0.00 175.26 175.18 2hnb n THR 35 N -0.08 0.72 -2.15 -1.70 -2.24 -1.26 -0.25 114.28 107.32 2hnb n THR 35 Ca -0.16 -4.44 -0.43 0.00 -2.27 0.00 0.00 64.05 56.75 2hnb n THR 35 Cb 0.63 -2.00 -0.02 0.00 -2.10 0.00 0.00 70.33 66.84 2hnb n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2hnb s LEU 36 N -1.24 3.80 -0.51 3.22 1.43 -0.40 -4.76 118.68 120.22 2hnb s LEU 36 Ca 0.32 1.45 -0.28 0.00 -1.03 0.00 0.00 54.13 54.58 2hnb s LEU 36 Cb 0.05 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.75 2hnb s LEU 36 CO -0.14 -1.33 1.36 -1.38 0.23 0.00 0.00 176.35 175.09 2hnb s HIS 37 N 5.42 2.41 -1.28 0.29 -3.43 -1.26 -0.65 115.29 116.79 2hnb s HIS 37 Ca 0.70 0.56 -0.04 0.00 -0.80 0.00 0.00 55.06 55.49 2hnb s HIS 37 Cb -0.23 -4.39 -0.01 0.00 -1.43 0.00 0.00 32.58 26.53 2hnb s HIS 37 CO 0.30 -1.86 0.68 0.41 -2.00 0.00 0.00 174.74 172.27 2hnb n GLY 38 N 5.14 -0.44 3.53 -1.38 0.00 -0.67 -4.98 105.19 106.39 2hnb n GLY 38 Ca 0.13 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 2hnb n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hnb s PRO 39 N -5.97 -1.60 0.28 1.61 0.04 -1.26 -4.73 135.00 123.38 2hnb s PRO 39 Ca 0.10 0.00 0.05 0.00 0.04 0.00 0.00 61.00 61.19 2hnb s PRO 39 Cb -0.03 -1.55 -0.06 0.00 0.04 0.00 0.00 34.50 32.91 2hnb s PRO 39 CO 0.83 -3.98 -0.00 -0.51 0.04 0.00 0.00 177.00 173.38 2hnb s LEU 40 N -7.15 2.31 0.37 -3.56 1.43 -1.26 -4.66 118.68 106.15 2hnb s LEU 40 Ca 0.70 -1.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2hnb s LEU 40 Cb -0.11 -0.45 0.88 0.00 0.03 0.00 0.00 46.19 46.54 2hnb s LEU 40 CO 0.57 -0.48 1.86 0.25 0.23 0.00 0.00 176.35 178.77 2hnb h LEU 41 N 2.27 0.60 0.00 1.79 7.12 -1.91 -0.51 115.31 124.67 2hnb h LEU 41 Ca -0.40 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.66 2hnb h LEU 41 Cb 1.23 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2hnb h LEU 41 CO 0.68 0.28 0.00 -1.84 -0.13 0.00 0.00 178.44 177.42 2hnb n GLU 42 N -4.57 0.06 -0.48 1.25 0.28 -1.26 -2.29 120.64 113.63 2hnb n GLU 42 Ca 0.18 0.28 0.04 0.00 -0.16 0.00 0.00 57.16 57.50 2hnb n GLU 42 Cb 0.54 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.97 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2hnb n ASP 43 N -1.36 0.99 -3.76 -1.84 2.03 -0.21 -5.01 116.55 107.39 2hnb n ASP 43 Ca 0.03 -2.49 -0.27 0.00 0.52 0.00 0.00 54.79 52.58 2hnb n ASP 43 Cb 0.06 -0.31 -0.17 0.00 -0.72 0.00 0.00 41.12 39.98 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hnb s LEU 44 N -1.16 1.10 0.76 -2.67 1.43 -0.97 -4.85 118.68 112.32 2hnb s LEU 44 Ca 0.17 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2hnb s LEU 44 Cb 0.16 -0.60 0.06 0.00 0.03 0.00 0.00 46.19 45.84 2hnb s LEU 44 CO -0.02 -0.27 1.13 -2.16 0.23 0.00 0.00 176.35 175.27 2hnb s PRO 45 N 1.86 2.12 -0.01 1.29 0.04 -1.26 -4.91 135.00 134.13 2hnb s PRO 45 Ca 0.01 1.43 0.13 0.00 0.04 0.00 0.00 61.00 62.60 2hnb s PRO 45 Cb -0.16 -1.86 0.38 0.00 0.04 0.00 0.00 34.50 32.90 2hnb s PRO 45 CO -0.07 -1.78 1.31 0.00 0.04 0.00 0.00 177.00 176.49 2hnb n ALA 46 N -3.21 2.48 -3.70 8.56 0.00 -1.26 -4.78 120.51 118.61 2hnb n ALA 46 Ca 0.11 -0.76 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 2hnb n ALA 46 Cb 0.52 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.85 2hnb n ALA 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hnb s SER 47 N -0.97 0.28 0.00 0.00 0.01 -1.26 -2.69 113.70 109.06 2hnb s SER 47 Ca 0.29 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2hnb s SER 47 Cb 0.15 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2hnb s SER 47 CO 0.19 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2hnb n GLY 48 N 4.82 -0.40 2.90 3.44 0.00 -1.16 -4.91 105.19 109.88 2hnb n GLY 48 Ca -0.15 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2hnb n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hnb s ILE 49 N -2.40 1.72 0.61 -0.61 1.09 -1.26 -0.86 121.20 119.49 2hnb s ILE 49 Ca 0.00 -2.03 0.02 0.00 -1.10 0.00 0.00 60.65 57.54 2hnb s ILE 49 Cb 0.00 -2.28 0.07 0.00 -1.06 0.00 0.00 42.46 39.20 2hnb s ILE 49 CO 0.00 -0.65 0.84 0.26 -0.10 0.00 0.00 174.94 175.29 2hnb s TRP 50 N 1.11 2.17 -0.30 3.97 0.23 -0.13 -3.92 118.94 122.07 2hnb s TRP 50 Ca 0.11 -0.24 -0.01 0.00 -2.03 0.00 0.00 56.10 53.93 2hnb s TRP 50 Cb -0.19 -2.74 0.13 0.00 0.03 0.00 0.00 33.47 30.70 2hnb s TRP 50 CO -0.14 -1.19 0.25 -1.17 0.96 0.00 0.00 176.95 175.66 2hnb s LEU 51 N -4.86 0.06 0.16 2.99 2.96 -1.19 -2.84 118.68 115.96 2hnb s LEU 51 Ca 0.61 -1.06 -0.27 0.00 -0.22 0.00 0.00 54.13 53.20 2hnb s LEU 51 Cb -0.08 0.23 -0.08 0.00 0.50 0.00 0.00 46.19 46.76 2hnb s LEU 51 CO 0.40 -0.39 0.84 0.68 -1.32 0.00 0.00 176.35 176.56 2hnb s VAL 52 N 2.14 4.36 0.06 1.68 -7.23 -0.58 -0.60 120.40 120.22 2hnb s VAL 52 Ca 0.10 1.83 0.05 0.00 -1.81 0.00 0.00 61.98 62.16 2hnb s VAL 52 Cb -0.15 -4.20 -0.03 0.00 0.56 0.00 0.00 36.38 32.56 2hnb s VAL 52 CO -0.30 0.47 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.19 2hnb s ILE 53 N -0.87 1.15 -0.09 -0.62 1.01 -0.65 -2.26 121.20 118.87 2hnb s ILE 53 Ca 0.39 -1.22 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2hnb s ILE 53 Cb -0.23 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.18 2hnb s ILE 53 CO 0.28 -0.14 0.23 -0.44 0.00 0.00 0.00 174.94 174.87 2hnb s SER 54 N -1.55 -0.24 0.41 3.58 0.01 -0.80 -3.15 113.70 111.97 2hnb s SER 54 Ca -0.00 0.47 -0.25 0.00 1.31 0.00 0.00 55.95 57.48 2hnb s SER 54 Cb -0.09 0.45 -0.08 0.00 0.21 0.00 0.00 66.02 66.50 2hnb s SER 54 CO 0.02 -0.10 1.16 -0.44 0.41 0.00 0.00 173.24 174.30 2hnb s SER 55 N 0.39 6.47 0.00 2.44 0.01 -1.01 -2.11 113.70 119.89 2hnb s SER 55 Ca -0.02 2.33 0.25 0.00 1.31 0.00 0.00 55.95 59.82 2hnb s SER 55 Cb -0.04 -2.61 1.20 0.00 0.21 0.00 0.00 66.02 64.78 2hnb s SER 55 CO -0.02 -0.71 1.81 0.35 0.41 0.00 0.00 173.24 175.08 2hnb n THR 56 N -0.03 0.05 -1.12 1.44 -2.24 0.17 -4.32 114.28 108.23 2hnb n THR 56 Ca 0.05 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 2hnb n THR 56 Cb 0.47 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2hnb n THR 56 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2hnb n HIS 57 N -0.28 -0.72 -1.81 4.78 -0.00 -1.25 -0.94 115.22 115.00 2hnb n HIS 57 Ca 0.18 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.21 2hnb n HIS 57 Cb 0.23 -1.61 -0.04 0.00 -0.12 0.00 0.00 29.99 28.45 2hnb n HIS 57 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hnb n GLY 58 N -0.09 0.73 0.00 1.57 0.00 -1.26 -4.74 105.19 101.40 2hnb n GLY 58 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2hnb n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb n ALA 59 N -0.34 0.00 -2.35 4.61 0.00 -0.29 -4.91 120.51 117.23 2hnb n ALA 59 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2hnb n ALA 59 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 2hnb n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hnb n GLY 60 N 0.00 0.46 2.96 0.00 0.00 -0.12 -4.97 105.19 103.52 2hnb n GLY 60 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2hnb n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hnb s ASP 61 N -2.94 0.15 0.39 1.61 2.15 -1.24 -3.33 116.67 113.45 2hnb s ASP 61 Ca 0.04 -0.33 -0.24 0.00 0.43 0.00 0.00 52.55 52.46 2hnb s ASP 61 Cb -0.02 0.08 -0.09 0.00 -0.30 0.00 0.00 42.92 42.59 2hnb s ASP 61 CO 0.05 -0.21 1.02 -0.63 -0.17 0.00 0.00 175.17 175.23 2hnb s ILE 62 N -1.01 3.90 0.78 4.11 1.09 -1.26 -3.84 121.20 124.97 2hnb s ILE 62 Ca -0.11 1.44 -0.14 0.00 -1.10 0.00 0.00 60.65 60.74 2hnb s ILE 62 Cb -0.07 -3.74 0.04 0.00 -1.06 0.00 0.00 42.46 37.63 2hnb s ILE 62 CO -0.01 0.00 1.01 -2.65 -0.10 0.00 0.00 174.94 173.19 2hnb n PRO 63 N -0.00 0.27 0.21 2.79 -0.02 -1.26 -4.52 135.00 132.47 2hnb n PRO 63 Ca 0.05 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 2hnb n PRO 63 Cb 0.50 -2.27 0.76 0.00 -0.02 0.00 0.00 33.50 32.47 2hnb n PRO 63 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hnb h ASP 64 N -0.68 0.00 -0.71 2.55 3.58 -1.95 -0.85 116.42 118.35 2hnb h ASP 64 Ca -0.46 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.92 2hnb h ASP 64 Cb 1.31 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.33 2hnb h ASP 64 CO 0.45 0.00 0.18 -1.13 -2.88 0.00 0.00 179.24 175.86 2hnb h ASN 65 N 0.00 1.07 0.00 2.28 -1.24 -1.90 -3.38 115.58 112.42 2hnb h ASN 65 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2hnb h ASN 65 Cb 0.04 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.80 2hnb h ASN 65 CO 0.00 1.02 -0.85 -0.11 -1.29 0.00 0.00 177.43 176.20 2hnb n LEU 66 N -4.23 0.00 -0.34 0.34 7.94 -0.78 -4.35 117.00 115.57 2hnb n LEU 66 Ca 0.05 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.13 2hnb n LEU 66 Cb 0.26 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.61 2hnb n LEU 66 CO 0.42 0.00 1.18 -1.28 -1.11 0.00 0.00 177.39 176.61 2hnb h SER 67 N 0.00 0.64 -0.39 1.96 0.87 -1.36 -0.22 113.55 115.05 2hnb h SER 67 Ca 0.00 0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.79 2hnb h SER 67 Cb 0.05 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2hnb h SER 67 CO 0.00 0.13 0.60 -0.65 -0.53 0.00 0.00 176.83 176.38 2hnb h PRO 68 N 0.57 0.00 -0.71 2.24 0.11 -1.85 -1.24 132.00 131.11 2hnb h PRO 68 Ca 0.62 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.74 2hnb h PRO 68 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2hnb h PRO 68 CO -0.41 0.00 0.47 0.35 -0.21 0.00 0.00 178.00 178.20 2hnb h PHE 69 N 0.00 0.89 -0.73 0.65 3.57 -1.30 -1.20 116.94 118.83 2hnb h PHE 69 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2hnb h PHE 69 Cb 1.38 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2hnb h PHE 69 CO 0.00 0.56 0.47 -0.92 -2.23 0.00 0.00 178.31 176.18 2hnb h TYR 70 N 0.96 0.87 -0.08 0.41 3.20 -1.41 -1.04 116.97 119.89 2hnb h TYR 70 Ca 0.26 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 2hnb h TYR 70 Cb -0.10 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 37.87 2hnb h TYR 70 CO -0.00 0.52 -0.05 0.93 -1.64 0.00 0.00 178.16 177.92 2hnb h GLU 71 N 0.92 0.17 -0.45 1.82 4.39 -1.52 -2.63 114.58 117.29 2hnb h GLU 71 Ca 0.28 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 2hnb h GLU 71 Cb -0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2hnb h GLU 71 CO -0.09 0.55 0.00 0.00 -1.16 0.00 0.00 179.01 178.31 2hnb h ALA 72 N 0.62 1.17 0.28 3.43 0.00 -1.00 -0.08 119.26 123.67 2hnb h ALA 72 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2hnb h ALA 72 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hnb h ALA 72 CO 0.01 0.54 -0.13 -0.07 0.00 0.00 0.00 179.25 179.60 2hnb h LEU 73 N 0.68 -0.31 -1.16 0.00 3.38 -1.23 -2.94 115.31 113.72 2hnb h LEU 73 Ca 0.14 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2hnb h LEU 73 Cb 0.41 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2hnb h LEU 73 CO 0.02 0.01 -0.39 0.06 0.09 0.00 0.00 178.44 178.22 2hnb h GLN 74 N -0.66 0.00 -0.40 1.13 3.07 -1.24 0.19 115.11 117.20 2hnb h GLN 74 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 2hnb h GLN 74 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 2hnb h GLN 74 CO 0.06 0.39 -0.10 1.49 0.09 0.00 0.00 178.83 180.76 2hnb h GLU 75 N 0.00 0.70 0.00 0.06 4.81 -1.05 -3.33 114.58 115.77 2hnb h GLU 75 Ca -0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2hnb h GLU 75 Cb 0.76 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2hnb h GLU 75 CO 0.05 0.79 -1.66 1.04 -0.73 0.00 0.00 179.01 178.50 2hnb n GLN 76 N -4.18 0.53 -4.08 1.92 6.02 -0.98 -5.03 117.38 111.58 2hnb n GLN 76 Ca 0.01 -0.12 -0.46 0.00 -0.01 0.00 0.00 57.00 56.42 2hnb n GLN 76 Cb 0.35 -1.33 0.02 0.00 1.02 0.00 0.00 30.24 30.29 2hnb n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2hnb n LYS 77 N -2.02 -0.26 -0.78 -1.09 5.02 0.63 -4.92 118.16 114.73 2hnb n LYS 77 Ca -0.04 0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 2hnb n LYS 77 Cb 0.41 -2.37 0.21 0.00 -0.02 0.00 0.00 35.03 33.25 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hnb s PRO 78 N -7.36 -0.06 -1.16 1.97 0.04 -1.26 -4.95 135.00 122.22 2hnb s PRO 78 Ca 0.47 0.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2hnb s PRO 78 Cb -0.26 -1.65 0.24 0.00 0.04 0.00 0.00 34.50 32.87 2hnb s PRO 78 CO 0.96 -3.16 1.53 -3.47 0.04 0.00 0.00 177.00 172.90 2hnb n ASP 79 N -4.53 5.72 -1.14 6.66 2.03 -1.26 -4.54 116.55 119.49 2hnb n ASP 79 Ca 0.05 -3.20 0.05 0.00 0.52 0.00 0.00 54.79 52.21 2hnb n ASP 79 Cb 0.55 -1.39 0.22 0.00 -0.72 0.00 0.00 41.12 39.77 2hnb n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hnb n LEU 80 N 2.89 3.27 -0.05 -2.67 4.77 0.21 -4.64 117.00 120.77 2hnb n LEU 80 Ca 0.31 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 2hnb n LEU 80 Cb 0.36 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2hnb n LEU 80 CO 0.69 0.50 0.00 -1.20 -1.33 0.00 0.00 177.39 176.06 2hnb n SER 81 N 0.49 0.00 0.00 -1.43 7.64 -1.10 -0.85 113.62 118.38 2hnb n SER 81 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2hnb n SER 81 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2hnb n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hnb n ALA 82 N -0.23 0.41 -1.77 -0.43 0.00 -1.23 -4.80 120.51 112.46 2hnb n ALA 82 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2hnb n ALA 82 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2hnb n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hnb s VAL 83 N -0.02 4.11 0.14 0.00 1.01 -0.03 -2.98 120.40 122.63 2hnb s VAL 83 Ca 0.00 2.02 0.09 0.00 0.00 0.00 0.00 61.98 64.10 2hnb s VAL 83 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2hnb s VAL 83 CO 0.00 0.43 -0.19 -0.13 0.00 0.00 0.00 175.10 175.21 2hnb s ARG 84 N -1.35 1.75 0.24 2.72 0.52 -0.04 -2.74 118.95 120.04 2hnb s ARG 84 Ca 0.43 -1.25 -0.08 0.00 -0.52 0.00 0.00 55.73 54.31 2hnb s ARG 84 Cb -0.24 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 2hnb s ARG 84 CO 0.30 0.46 0.36 -0.59 0.02 0.00 0.00 175.30 175.85 2hnb s PHE 85 N -1.27 0.70 0.15 -0.53 -0.12 -0.76 -0.96 117.98 115.19 2hnb s PHE 85 Ca 0.19 -1.00 0.04 0.00 -0.05 0.00 0.00 56.93 56.10 2hnb s PHE 85 Cb -0.10 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 2hnb s PHE 85 CO 0.10 -0.89 -0.07 0.20 -0.05 0.00 0.00 175.22 174.51 2hnb s GLY 86 N -3.09 1.10 -0.03 1.99 0.00 -1.13 -0.54 107.32 105.62 2hnb s GLY 86 Ca 0.29 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 2hnb s GLY 86 CO 0.11 -1.57 0.05 0.00 0.00 0.00 0.00 173.10 171.69 2hnb s ALA 87 N -3.42 -0.04 -0.04 3.20 0.00 -1.26 -1.53 121.76 118.68 2hnb s ALA 87 Ca 0.18 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 2hnb s ALA 87 Cb 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2hnb s ALA 87 CO 0.01 -0.09 0.01 0.42 0.00 0.00 0.00 175.76 176.11 2hnb s ILE 88 N 0.79 0.17 -0.20 0.00 1.01 -0.96 -1.10 121.20 120.92 2hnb s ILE 88 Ca -0.06 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 2hnb s ILE 88 Cb -0.09 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.08 2hnb s ILE 88 CO -0.03 0.17 -0.11 -0.83 0.00 0.00 0.00 174.94 174.15 2hnb s GLY 89 N 1.39 1.52 -0.06 6.18 0.00 -0.55 -1.90 107.32 113.91 2hnb s GLY 89 Ca -0.05 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.57 2hnb s GLY 89 CO -0.03 0.31 -0.20 -0.42 0.00 0.00 0.00 173.10 172.76 2hnb s ILE 90 N 1.30 1.69 -2.99 0.90 1.01 -0.90 -1.92 121.20 120.28 2hnb s ILE 90 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2hnb s ILE 90 Cb -0.14 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2hnb s ILE 90 CO -0.06 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2hnb n GLY 91 N 3.17 -0.88 3.26 6.18 0.00 -1.00 -0.65 105.19 115.27 2hnb n GLY 91 Ca -0.18 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 2hnb n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hnb n SER 92 N 0.79 3.62 0.07 1.61 7.64 -1.26 -1.35 113.62 124.74 2hnb n SER 92 Ca 0.00 -2.79 0.07 0.00 1.01 0.00 0.00 58.87 57.17 2hnb n SER 92 Cb 0.00 -1.57 0.33 0.00 -1.01 0.00 0.00 64.21 61.97 2hnb n SER 92 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hnb n ARG 93 N 7.49 0.08 0.28 1.43 3.00 -1.26 -1.15 116.66 126.53 2hnb n ARG 93 Ca 0.49 0.45 0.16 0.00 -0.00 0.00 0.00 57.85 58.94 2hnb n ARG 93 Cb 0.43 -1.69 0.81 0.00 0.00 0.00 0.00 32.46 32.01 2hnb n ARG 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2hnb h GLU 94 N 0.00 0.00 -7.56 -0.14 4.39 -1.89 -3.44 114.58 105.94 2hnb h GLU 94 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 2hnb h GLU 94 Cb 0.16 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 28.96 2hnb h GLU 94 CO 0.00 0.07 0.29 0.71 -1.16 0.00 0.00 179.01 178.92 2hnb s TYR 95 N -4.02 1.72 0.43 4.33 2.02 -0.30 -4.97 117.35 116.56 2hnb s TYR 95 Ca -0.02 0.61 0.14 0.00 -0.37 0.00 0.00 57.07 57.43 2hnb s TYR 95 Cb 0.12 -3.61 0.96 0.00 -0.40 0.00 0.00 41.96 39.03 2hnb s TYR 95 CO 0.54 -2.85 1.96 0.22 -1.57 0.00 0.00 175.55 173.86 2hnb h ASP 96 N -1.83 0.00 -3.22 2.29 3.58 -1.86 -3.43 116.42 111.95 2hnb h ASP 96 Ca -0.47 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.45 2hnb h ASP 96 Cb 1.29 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.37 2hnb h ASP 96 CO 0.48 0.21 0.68 -0.89 -2.88 0.00 0.00 179.24 176.85 2hnb s THR 97 N -4.55 3.25 0.01 2.25 2.01 -1.26 -4.94 115.64 112.41 2hnb s THR 97 Ca -0.04 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 62.88 2hnb s THR 97 Cb 0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2hnb s THR 97 CO 0.70 0.11 -0.10 0.33 -0.69 0.00 0.00 174.62 174.97 2hnb n PHE 98 N 3.20 0.00 -1.29 4.92 7.35 -1.26 -4.72 117.46 125.66 2hnb n PHE 98 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 2hnb n PHE 98 Cb 0.43 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.10 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hnb h GLY 100 N 0.00 0.67 0.79 0.00 0.00 -1.93 -0.71 103.07 101.89 2hnb h GLY 100 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2hnb h GLY 100 CO 0.00 0.04 -0.37 0.00 0.00 0.00 0.00 176.54 176.21 2hnb h ALA 101 N 1.64 -1.02 -0.31 3.60 0.00 -1.86 -3.08 119.26 118.23 2hnb h ALA 101 Ca 0.39 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2hnb h ALA 101 Cb 0.98 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2hnb h ALA 101 CO -0.12 -0.96 -0.14 0.97 0.00 0.00 0.00 179.25 178.99 2hnb h ILE 102 N -1.24 1.24 -0.90 0.00 -0.00 -1.72 -2.86 117.51 112.03 2hnb h ILE 102 Ca -0.10 -1.09 0.14 0.00 -0.00 0.00 0.00 64.86 63.81 2hnb h ILE 102 Cb 0.79 1.16 -0.07 0.00 -0.00 0.00 0.00 36.82 38.70 2hnb h ILE 102 CO 0.17 0.36 0.58 -0.78 -0.00 0.00 0.00 178.15 178.48 2hnb h ASP 103 N 0.50 0.67 -0.49 2.19 3.58 -1.16 -0.63 116.42 121.07 2hnb h ASP 103 Ca 0.09 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2hnb h ASP 103 Cb 0.54 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2hnb h ASP 103 CO 0.03 0.33 0.17 0.11 -2.88 0.00 0.00 179.24 177.01 2hnb h LYS 104 N 0.70 0.75 0.04 0.28 1.57 -1.41 -0.12 116.57 118.38 2hnb h LYS 104 Ca 0.45 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2hnb h LYS 104 Cb 0.72 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2hnb h LYS 104 CO -0.21 0.69 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.27 2hnb h LEU 105 N 0.66 -0.04 -0.95 2.94 3.38 -1.25 -2.79 115.31 117.25 2hnb h LEU 105 Ca 0.16 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2hnb h LEU 105 Cb 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2hnb h LEU 105 CO -0.01 0.12 -0.51 1.05 0.09 0.00 0.00 178.44 179.19 2hnb h GLU 106 N -0.21 0.04 -0.78 1.13 4.11 -1.26 -1.84 114.58 115.77 2hnb h GLU 106 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2hnb h GLU 106 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2hnb h GLU 106 CO 0.01 0.54 0.38 0.00 0.07 0.00 0.00 179.01 180.00 2hnb h ALA 107 N 1.46 1.19 0.00 1.06 0.00 -0.94 -0.10 119.26 121.93 2hnb h ALA 107 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2hnb h ALA 107 Cb 0.91 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2hnb h ALA 107 CO 0.07 0.62 -0.76 0.93 0.00 0.00 0.00 179.25 180.10 2hnb h GLU 108 N 1.11 0.00 -0.34 0.00 4.39 -1.17 -0.84 114.58 117.73 2hnb h GLU 108 Ca 0.27 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 2hnb h GLU 108 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2hnb h GLU 108 CO -0.03 0.76 0.10 -0.07 -1.16 0.00 0.00 179.01 178.60 2hnb h LEU 109 N 0.00 0.50 -0.75 1.33 3.38 -0.82 -0.15 115.31 118.80 2hnb h LEU 109 Ca -0.01 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2hnb h LEU 109 Cb 1.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2hnb h LEU 109 CO 0.10 0.58 -0.57 0.07 0.09 0.00 0.00 178.44 178.71 2hnb h LYS 110 N 0.39 0.17 -0.80 1.13 2.10 -0.99 -1.38 116.57 117.18 2hnb h LYS 110 Ca 0.11 -0.11 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2hnb h LYS 110 Cb 0.27 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.58 2hnb h LYS 110 CO -0.00 0.69 0.37 -0.97 -2.00 0.00 0.00 179.45 177.54 2hnb h ASN 111 N 0.13 1.06 0.03 7.07 -1.24 -1.07 -1.08 115.58 120.48 2hnb h ASN 111 Ca -0.00 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.87 2hnb h ASN 111 Cb 1.04 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.82 2hnb h ASN 111 CO 0.08 0.91 0.00 -1.20 -1.29 0.00 0.00 177.43 175.93 2hnb n SER 112 N -4.30 0.00 0.00 1.15 7.64 -0.08 -4.88 113.62 113.16 2hnb n SER 112 Ca 0.08 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.44 2hnb n SER 112 Cb 0.15 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2hnb n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hnb n GLY 113 N 0.16 1.61 3.48 0.23 0.00 -0.41 -0.62 105.19 109.63 2hnb n GLY 113 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2hnb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb s ALA 114 N -2.29 -0.43 0.01 4.61 0.00 -0.60 -4.14 121.76 118.92 2hnb s ALA 114 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2hnb s ALA 114 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2hnb s ALA 114 CO 0.00 -3.92 0.07 0.15 0.00 0.00 0.00 175.76 172.06 2hnb s LYS 115 N -4.64 0.43 0.49 0.00 1.02 -1.11 -4.11 119.74 111.82 2hnb s LYS 115 Ca 0.68 -0.53 -0.21 0.00 0.02 0.00 0.00 55.97 55.93 2hnb s LYS 115 Cb -0.22 0.17 -0.07 0.00 -0.52 0.00 0.00 37.83 37.19 2hnb s LYS 115 CO 0.63 -0.10 1.13 -1.14 -0.92 0.00 0.00 175.35 174.95 2hnb s GLN 116 N -1.59 3.64 0.04 1.68 -0.44 -1.26 -1.84 119.66 119.89 2hnb s GLN 116 Ca -0.14 1.64 0.06 0.00 -2.50 0.00 0.00 55.36 54.42 2hnb s GLN 116 Cb -0.08 -2.23 -0.02 0.00 -1.64 0.00 0.00 33.01 29.05 2hnb s GLN 116 CO -0.00 -0.61 -0.16 0.99 0.50 0.00 0.00 175.29 176.00 2hnb s THR 117 N -1.69 1.29 0.00 -0.34 2.01 0.29 -4.82 115.64 112.38 2hnb s THR 117 Ca 0.67 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2hnb s THR 117 Cb -0.25 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.12 2hnb s THR 117 CO 0.29 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2hnb n GLY 118 N 1.95 1.16 3.23 4.40 0.00 -1.26 -4.57 105.19 110.11 2hnb n GLY 118 Ca -0.17 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2hnb n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hnb s GLU 119 N 0.00 1.00 0.32 1.61 0.41 -1.26 -5.09 118.70 115.68 2hnb s GLU 119 Ca 0.00 -1.26 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 2hnb s GLU 119 Cb 0.00 0.31 -0.10 0.00 -1.78 0.00 0.00 34.13 32.56 2hnb s GLU 119 CO 0.00 -0.32 1.27 0.99 -0.49 0.00 0.00 175.26 176.71 2hnb s THR 120 N -3.99 2.84 0.08 3.63 2.01 -1.26 -4.64 115.64 114.32 2hnb s THR 120 Ca 0.18 0.85 0.03 0.00 0.31 0.00 0.00 61.69 63.06 2hnb s THR 120 Cb 0.05 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2hnb s THR 120 CO -0.01 0.20 0.07 -0.22 -0.69 0.00 0.00 174.62 173.98 2hnb s LEU 121 N -1.72 3.77 -0.01 4.42 2.96 -0.26 -5.02 118.68 122.82 2hnb s LEU 121 Ca 0.48 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2hnb s LEU 121 Cb -0.38 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 43.86 2hnb s LEU 121 CO 0.51 0.17 0.00 -1.59 -1.32 0.00 0.00 176.35 174.12 2hnb s LYS 122 N -2.41 0.07 -0.15 1.98 0.00 -1.26 -1.48 119.74 116.50 2hnb s LYS 122 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 55.97 56.27 2hnb s LYS 122 Cb -0.12 -0.15 0.05 0.00 0.00 0.00 0.00 37.83 37.60 2hnb s LYS 122 CO 0.22 -0.04 0.03 0.42 0.00 0.00 0.00 175.35 175.98 2hnb s ILE 123 N 0.34 0.40 0.36 3.79 -1.09 -0.81 -4.86 121.20 119.33 2hnb s ILE 123 Ca -0.03 -0.26 -0.27 0.00 -2.23 0.00 0.00 60.65 57.87 2hnb s ILE 123 Cb -0.05 -0.80 -0.09 0.00 -1.58 0.00 0.00 42.46 39.95 2hnb s ILE 123 CO -0.01 -0.04 1.14 0.21 -1.23 0.00 0.00 174.94 175.01 2hnb s ASN 124 N 1.93 6.81 0.00 3.58 2.47 -1.26 -2.38 114.94 126.09 2hnb s ASN 124 Ca 0.02 2.31 0.00 0.00 0.42 0.00 0.00 52.86 55.60 2hnb s ASN 124 Cb -0.15 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 2hnb s ASN 124 CO -0.07 -0.47 0.46 2.30 -3.72 0.00 0.00 177.10 175.60 2hnb n ILE 125 N 0.45 0.20 -0.24 -5.21 -6.64 -0.46 -4.10 119.36 103.36 2hnb n ILE 125 Ca 0.02 -0.38 -0.07 0.00 -1.77 0.00 0.00 62.75 60.56 2hnb n ILE 125 Cb 0.46 1.18 0.07 0.00 -1.44 0.00 0.00 39.64 39.91 2hnb n ILE 125 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 2hnb h LEU 126 N 0.00 1.05 0.00 7.28 5.85 -1.93 -3.39 115.31 124.16 2hnb h LEU 126 Ca 0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2hnb h LEU 126 Cb 0.40 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2hnb h LEU 126 CO 0.00 1.01 0.00 -0.67 -0.34 0.00 0.00 178.44 178.44 2hnb n ASP 127 N -4.23 0.00 -3.75 1.25 2.03 -1.26 -5.10 116.55 105.49 2hnb n ASP 127 Ca 0.05 -0.26 -0.11 0.00 0.52 0.00 0.00 54.79 54.99 2hnb n ASP 127 Cb 0.26 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.59 2hnb n ASP 127 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2hnb s HIS 128 N 0.00 -0.11 0.19 -0.67 -3.43 -1.26 -5.09 115.29 104.93 2hnb s HIS 128 Ca 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 2hnb s HIS 128 Cb 0.00 0.10 0.11 0.00 -1.43 0.00 0.00 32.58 31.37 2hnb s HIS 128 CO 0.00 -0.52 1.48 0.22 -2.00 0.00 0.00 174.74 173.92 2hnb h ASP 129 N 3.16 0.43 -5.07 7.38 3.58 -1.89 -3.34 116.42 120.66 2hnb h ASP 129 Ca -0.32 -0.27 -0.11 0.00 0.42 0.00 0.00 57.03 56.76 2hnb h ASP 129 Cb 1.20 -0.13 -0.17 0.00 1.72 0.00 0.00 39.33 41.96 2hnb h ASP 129 CO 0.46 0.98 -0.36 0.27 -2.88 0.00 0.00 179.24 177.71 2hnb s ILE 130 N -3.69 0.11 1.10 2.25 -4.36 -1.26 -4.74 121.20 110.61 2hnb s ILE 130 Ca -0.05 -0.88 -0.16 0.00 -0.26 0.00 0.00 60.65 59.29 2hnb s ILE 130 Cb 0.11 -0.96 0.24 0.00 1.25 0.00 0.00 42.46 43.10 2hnb s ILE 130 CO 0.83 -0.49 1.12 -2.16 0.24 0.00 0.00 174.94 174.48 2hnb s PRO 131 N -2.69 -0.43 0.00 0.37 0.04 -1.26 -4.91 135.00 126.12 2hnb s PRO 131 Ca -0.04 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2hnb s PRO 131 Cb -0.00 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2hnb s PRO 131 CO -0.04 -3.22 0.39 0.39 0.04 0.00 0.00 177.00 174.56 2hnb n GLU 132 N -4.45 0.55 -3.33 4.56 4.71 -1.26 -3.94 120.64 117.49 2hnb n GLU 132 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 57.01 2hnb n GLU 132 Cb 0.59 -1.25 -0.09 0.00 -1.01 0.00 0.00 31.44 29.68 2hnb n GLU 132 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2hnb s ASP 133 N 0.17 1.16 0.64 1.62 2.15 -1.26 -5.14 116.67 116.00 2hnb s ASP 133 Ca 0.00 -2.86 -0.17 0.00 0.43 0.00 0.00 52.55 49.94 2hnb s ASP 133 Cb 0.00 -0.16 -0.04 0.00 -0.30 0.00 0.00 42.92 42.42 2hnb s ASP 133 CO 0.00 -0.17 0.84 -2.65 -0.17 0.00 0.00 175.17 173.03 2hnb n PRO 134 N 2.93 0.67 0.04 4.34 -0.02 -1.25 -4.84 135.00 136.86 2hnb n PRO 134 Ca 0.28 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2hnb n PRO 134 Cb 0.48 -2.07 0.59 0.00 -0.02 0.00 0.00 33.50 32.48 2hnb n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hnb h ALA 135 N 0.16 2.13 -0.59 3.55 0.00 -1.99 -1.56 119.26 120.96 2hnb h ALA 135 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2hnb h ALA 135 Cb 1.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2hnb h ALA 135 CO 0.48 -0.22 0.14 1.49 0.00 0.00 0.00 179.25 181.14 2hnb h GLU 136 N 0.20 0.92 -0.24 0.00 4.81 -1.98 0.89 114.58 119.18 2hnb h GLU 136 Ca 0.19 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2hnb h GLU 136 Cb 0.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2hnb h GLU 136 CO -0.03 0.83 -0.49 0.93 -0.73 0.00 0.00 179.01 179.52 2hnb h GLU 137 N 0.88 0.76 -0.46 1.92 4.39 -1.64 -0.51 114.58 119.92 2hnb h GLU 137 Ca 0.19 -0.49 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2hnb h GLU 137 Cb 0.33 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2hnb h GLU 137 CO 0.00 1.12 0.27 2.35 -1.16 0.00 0.00 179.01 181.59 2hnb h TRP 138 N 0.49 0.61 -0.49 4.33 7.01 -1.37 -2.17 115.95 124.37 2hnb h TRP 138 Ca 0.01 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2hnb h TRP 138 Cb 1.09 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 2hnb h TRP 138 CO 0.08 0.43 0.17 1.25 -2.79 0.00 0.00 178.44 177.59 2hnb h LEU 139 N 0.61 0.69 -0.54 0.65 5.85 -0.55 0.16 115.31 122.18 2hnb h LEU 139 Ca 0.16 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2hnb h LEU 139 Cb 0.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2hnb h LEU 139 CO -0.03 0.69 0.28 1.23 -0.34 0.00 0.00 178.44 180.28 2hnb h GLY 140 N 0.65 0.76 1.35 3.75 0.00 -1.05 -0.29 103.07 108.25 2hnb h GLY 140 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2hnb h GLY 140 CO -0.01 0.13 0.10 1.76 0.00 0.00 0.00 176.54 178.52 2hnb h SER 141 N 0.55 0.76 0.25 0.19 0.02 -0.70 -2.10 113.55 112.51 2hnb h SER 141 Ca 0.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2hnb h SER 141 Cb 0.13 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2hnb h SER 141 CO -0.15 0.76 -0.12 -0.25 -1.14 0.00 0.00 176.83 175.92 2hnb h TRP 142 N 0.77 -0.31 -0.11 3.45 7.01 -0.03 -3.20 115.95 123.53 2hnb h TRP 142 Ca 0.17 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 2hnb h TRP 142 Cb 0.32 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 2hnb h TRP 142 CO 0.02 0.04 -0.08 -0.39 -2.79 0.00 0.00 178.44 175.24 2hnb h VAL 143 N -0.73 1.13 -0.14 2.65 -1.51 -1.02 -1.03 116.25 115.59 2hnb h VAL 143 Ca -0.03 -0.54 0.04 0.00 -1.23 0.00 0.00 66.70 64.93 2hnb h VAL 143 Cb 0.49 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 2hnb h VAL 143 CO 0.06 0.17 0.17 -1.13 -1.23 0.00 0.00 177.57 175.60 2hnb h ASN 144 N 0.16 0.00 -0.01 4.19 -0.73 -1.37 0.23 115.58 118.05 2hnb h ASN 144 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2hnb h ASN 144 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2hnb h ASN 144 CO 0.01 0.00 -0.54 0.18 -0.37 0.00 0.00 177.43 176.71 2hnb n LEU 145 N -3.74 1.73 0.00 0.34 4.77 -0.40 -4.47 117.00 115.22 2hnb n LEU 145 Ca 0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2hnb n LEU 145 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2hnb n LEU 145 CO 0.27 0.34 0.01 0.00 -1.33 0.00 0.00 177.39 176.68 2hnb n LEU 146 N -0.33 0.06 0.00 2.23 -0.00 -0.64 -4.97 117.00 113.34 2hnb n LEU 146 Ca 0.08 -0.52 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 2hnb n LEU 146 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2hnb n LEU 146 CO 0.29 0.01 0.07 2.29 -0.00 0.00 0.00 177.39 180.06