#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 1.93 0.00 -5.12 0.00 -1.26 -4.76 121.76 112.54 2hnb s ALA 2 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2hnb s ALA 2 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2hnb s ALA 2 CO 0.00 -2.16 0.00 -3.47 0.00 0.00 0.00 175.76 170.13 2hnb n ASP 3 N -3.60 1.41 -3.68 0.00 2.03 -0.26 -4.87 116.55 107.58 2hnb n ASP 3 Ca 0.11 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.14 2hnb n ASP 3 Cb 0.52 0.20 -0.12 0.00 -0.72 0.00 0.00 41.12 41.00 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 -1.00 1.68 -0.13 5.18 1.01 -0.23 -4.39 121.20 123.33 2hnb s ILE 4 Ca 0.00 -3.33 -0.29 0.00 0.00 0.00 0.00 60.65 57.02 2hnb s ILE 4 Cb 0.00 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2hnb s ILE 4 CO 0.00 -1.06 1.28 -0.89 0.00 0.00 0.00 174.94 174.27 2hnb s THR 5 N -0.53 4.21 0.37 2.92 2.01 -1.23 -3.72 115.64 119.66 2hnb s THR 5 Ca 0.26 1.48 -0.24 0.00 0.31 0.00 0.00 61.69 63.50 2hnb s THR 5 Cb -0.06 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 2hnb s THR 5 CO -0.14 -0.10 0.97 -0.76 -0.69 0.00 0.00 174.62 173.90 2hnb s LEU 6 N 3.22 4.19 -0.86 4.42 1.02 0.55 -2.71 118.68 128.52 2hnb s LEU 6 Ca 0.56 1.84 -0.03 0.00 0.02 0.00 0.00 54.13 56.53 2hnb s LEU 6 Cb -0.23 -4.19 0.21 0.00 0.02 0.00 0.00 46.19 42.00 2hnb s LEU 6 CO 0.17 -0.23 0.74 -0.63 0.02 0.00 0.00 176.35 176.42 2hnb s ILE 7 N -1.77 4.40 0.36 -0.59 1.01 -0.05 -1.88 121.20 122.68 2hnb s ILE 7 Ca 0.55 -3.65 -0.28 0.00 0.00 0.00 0.00 60.65 57.27 2hnb s ILE 7 Cb -0.17 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 2hnb s ILE 7 CO 0.22 -1.06 1.38 -0.44 0.00 0.00 0.00 174.94 175.04 2hnb s SER 8 N 0.15 6.53 -0.40 3.58 0.01 -0.28 -1.69 113.70 121.61 2hnb s SER 8 Ca 0.26 2.83 0.07 0.00 1.31 0.00 0.00 55.95 60.42 2hnb s SER 8 Cb -0.10 -2.66 0.23 0.00 0.21 0.00 0.00 66.02 63.71 2hnb s SER 8 CO -0.11 -0.72 0.49 0.61 0.41 0.00 0.00 173.24 173.93 2hnb n GLY 9 N 0.65 2.62 3.31 3.44 0.00 -1.21 -1.34 105.19 112.66 2hnb n GLY 9 Ca 0.01 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.92 -0.33 -0.04 1.61 1.04 -1.26 -1.40 113.70 112.39 2hnb s SER 10 Ca 0.34 0.33 -0.21 0.00 0.48 0.00 0.00 55.95 56.90 2hnb s SER 10 Cb 0.14 0.44 -0.32 0.00 0.10 0.00 0.00 66.02 66.39 2hnb s SER 10 CO -0.13 -0.44 0.88 0.71 0.98 0.00 0.00 173.24 175.24 2hnb h THR 11 N 3.76 1.46 0.00 2.02 1.35 -1.98 -3.36 112.91 116.16 2hnb h THR 11 Ca -0.29 -2.55 -0.04 0.00 -0.55 0.00 0.00 66.41 62.99 2hnb h THR 11 Cb 1.17 3.16 -0.01 0.00 -1.73 0.00 0.00 68.15 70.74 2hnb h THR 11 CO 0.37 0.73 -0.18 0.17 -0.25 0.00 0.00 175.52 176.36 2hnb h LEU 12 N -0.31 0.00 0.00 3.87 -0.00 -2.03 -3.47 115.31 113.37 2hnb h LEU 12 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2hnb h LEU 12 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.37 2hnb h LEU 12 CO 0.16 0.18 0.00 0.61 -0.00 0.00 0.00 178.44 179.39 2hnb n GLY 13 N -0.75 0.53 0.27 0.17 0.00 -1.26 -4.98 105.19 99.17 2hnb n GLY 13 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2hnb n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hnb h GLY 14 N 0.00 0.97 2.00 -0.02 0.00 -1.91 -0.94 103.07 103.18 2hnb h GLY 14 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2hnb h GLY 14 CO 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 176.54 176.58 2hnb h ALA 15 N 1.25 1.40 -0.20 3.60 0.00 -1.91 -1.83 119.26 121.56 2hnb h ALA 15 Ca 0.25 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2hnb h ALA 15 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2hnb h ALA 15 CO -0.05 0.40 -0.44 0.93 0.00 0.00 0.00 179.25 180.08 2hnb h GLU 16 N 0.00 0.50 -0.26 0.00 5.08 -1.56 0.11 114.58 118.44 2hnb h GLU 16 Ca -0.00 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 2hnb h GLU 16 Cb 0.59 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2hnb h GLU 16 CO 0.04 0.85 -0.42 1.88 -1.00 0.00 0.00 179.01 180.36 2hnb h TYR 17 N 0.41 0.93 -0.42 4.33 0.05 -0.78 0.07 116.97 121.55 2hnb h TYR 17 Ca 0.03 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 2hnb h TYR 17 Cb 0.94 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 2hnb h TYR 17 CO 0.03 1.10 0.17 0.28 -1.05 0.00 0.00 178.16 178.70 2hnb h VAL 18 N 0.49 1.20 -0.62 -2.88 2.07 -1.31 -2.74 116.25 112.46 2hnb h VAL 18 Ca 0.02 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2hnb h VAL 18 Cb 1.02 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2hnb h VAL 18 CO 0.10 0.22 0.36 0.00 0.02 0.00 0.00 177.57 178.26 2hnb h ALA 19 N 1.02 1.47 -0.69 1.67 0.00 -0.62 -1.54 119.26 120.56 2hnb h ALA 19 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2hnb h ALA 19 Cb 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2hnb h ALA 19 CO -0.01 0.45 0.30 1.49 0.00 0.00 0.00 179.25 181.48 2hnb h GLU 20 N 0.85 1.01 -0.08 0.00 4.81 -0.71 0.16 114.58 120.62 2hnb h GLU 20 Ca 0.22 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2hnb h GLU 20 Cb -0.01 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2hnb h GLU 20 CO -0.04 0.82 0.02 0.45 -0.73 0.00 0.00 179.01 179.53 2hnb h HIS 21 N 0.97 0.14 -0.43 0.92 3.86 -1.13 -0.75 115.15 118.73 2hnb h HIS 21 Ca 0.23 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.45 2hnb h HIS 21 Cb 0.17 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 2hnb h HIS 21 CO 0.01 0.31 0.25 -0.07 0.86 0.00 0.00 177.93 179.29 2hnb h LEU 22 N -0.08 0.40 -0.54 2.43 3.38 -1.09 -1.68 115.31 118.13 2hnb h LEU 22 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2hnb h LEU 22 Cb 0.25 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2hnb h LEU 22 CO 0.00 0.29 0.24 0.00 0.09 0.00 0.00 178.44 179.06 2hnb h ALA 23 N 1.19 0.70 -0.50 1.53 0.00 -0.61 -1.10 119.26 120.47 2hnb h ALA 23 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2hnb h ALA 23 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2hnb h ALA 23 CO -0.08 0.28 0.19 1.49 0.00 0.00 0.00 179.25 181.13 2hnb h GLU 24 N 0.73 0.76 -0.23 0.00 4.81 -0.83 -1.14 114.58 118.68 2hnb h GLU 24 Ca 0.18 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 2hnb h GLU 24 Cb 0.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2hnb h GLU 24 CO -0.02 0.68 -0.27 0.87 -0.73 0.00 0.00 179.01 179.54 2hnb h LYS 25 N 0.68 0.45 -0.53 1.92 6.56 -1.09 -1.62 116.57 122.93 2hnb h LYS 25 Ca 0.17 -0.17 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 2hnb h LYS 25 Cb 0.21 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2hnb h LYS 25 CO -0.01 0.68 0.11 -0.07 -2.06 0.00 0.00 179.45 178.10 2hnb h LEU 26 N 0.39 0.77 -0.72 2.94 3.38 -0.87 0.10 115.31 121.30 2hnb h LEU 26 Ca 0.06 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2hnb h LEU 26 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2hnb h LEU 26 CO 0.05 0.77 0.27 -0.33 0.09 0.00 0.00 178.44 179.29 2hnb h GLU 27 N 0.79 1.09 -0.48 1.13 5.08 -0.47 0.12 114.58 121.84 2hnb h GLU 27 Ca 0.17 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2hnb h GLU 27 Cb 0.32 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2hnb h GLU 27 CO 0.00 0.91 -0.00 0.93 -1.00 0.00 0.00 179.01 179.84 2hnb h GLU 28 N 1.04 0.79 0.00 2.33 5.08 -1.00 -2.44 114.58 120.39 2hnb h GLU 28 Ca 0.24 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2hnb h GLU 28 Cb 0.24 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2hnb h GLU 28 CO -0.02 0.80 -0.09 0.00 -1.00 0.00 0.00 179.01 178.70 2hnb h ALA 29 N 1.26 1.04 0.00 3.43 0.00 -0.45 -3.47 119.26 121.06 2hnb h ALA 29 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hnb h ALA 29 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2hnb h ALA 29 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2hnb n GLY 30 N -0.03 1.93 3.10 0.00 0.00 -0.13 -5.07 105.19 104.99 2hnb n GLY 30 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 1.79 0.45 1.61 0.08 -0.26 -5.00 117.98 114.66 2hnb s PHE 31 Ca 0.00 -0.64 -0.22 0.00 0.12 0.00 0.00 56.93 56.19 2hnb s PHE 31 Cb 0.00 -1.24 -0.08 0.00 -0.57 0.00 0.00 43.02 41.13 2hnb s PHE 31 CO 0.00 -0.28 1.08 0.95 -0.10 0.00 0.00 175.22 176.88 2hnb s THR 32 N 0.40 3.53 0.19 0.64 -4.23 -1.26 -2.99 115.64 111.93 2hnb s THR 32 Ca -0.12 1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 61.46 2hnb s THR 32 Cb -0.15 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 2hnb s THR 32 CO 0.04 -0.07 0.14 0.42 -0.54 0.00 0.00 174.62 174.61 2hnb s THR 33 N -1.72 0.02 -0.16 3.99 -4.23 -1.26 -1.07 115.64 111.21 2hnb s THR 33 Ca 0.63 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.03 2hnb s THR 33 Cb -0.22 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.25 2hnb s THR 33 CO 0.27 -0.07 0.45 -0.70 -0.54 0.00 0.00 174.62 174.03 2hnb s GLU 34 N -4.13 0.54 -1.15 3.99 2.56 -1.24 -4.67 118.70 114.60 2hnb s GLU 34 Ca 0.36 0.58 -0.05 0.00 0.00 0.00 0.00 54.97 55.85 2hnb s GLU 34 Cb 0.07 0.26 0.26 0.00 2.00 0.00 0.00 34.13 36.72 2hnb s GLU 34 CO 0.10 -0.07 1.68 0.25 -0.56 0.00 0.00 175.26 176.66 2hnb n THR 35 N 2.72 5.12 -2.35 -1.70 -2.24 -1.26 -0.33 114.28 114.25 2hnb n THR 35 Ca -0.14 -5.42 -0.43 0.00 -2.27 0.00 0.00 64.05 55.80 2hnb n THR 35 Cb 0.57 -2.11 -0.02 0.00 -2.10 0.00 0.00 70.33 66.67 2hnb n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2hnb s LEU 36 N -2.14 4.16 -0.61 3.22 0.20 -0.79 -4.79 118.68 117.94 2hnb s LEU 36 Ca 0.35 1.72 -0.26 0.00 0.69 0.00 0.00 54.13 56.63 2hnb s LEU 36 Cb 0.08 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.28 2hnb s LEU 36 CO 0.05 -0.84 1.89 -1.38 -0.29 0.00 0.00 176.35 175.78 2hnb s HIS 37 N 3.74 1.63 -1.31 5.38 -3.43 -1.26 -1.13 115.29 118.90 2hnb s HIS 37 Ca 0.58 0.83 -0.11 0.00 -0.80 0.00 0.00 55.06 55.56 2hnb s HIS 37 Cb -0.23 -4.06 0.00 0.00 -1.43 0.00 0.00 32.58 26.86 2hnb s HIS 37 CO 0.18 -2.32 0.53 0.41 -2.00 0.00 0.00 174.74 171.54 2hnb n GLY 38 N 5.72 -0.52 3.77 -1.38 0.00 -0.45 -4.93 105.19 107.40 2hnb n GLY 38 Ca 0.21 0.27 -0.40 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.56 3.66 0.67 1.61 0.04 -1.26 -4.66 135.00 128.49 2hnb s PRO 39 Ca 0.21 2.41 -0.15 0.00 0.04 0.00 0.00 61.00 63.51 2hnb s PRO 39 Cb -0.09 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2hnb s PRO 39 CO 0.90 -0.84 1.12 -0.51 0.04 0.00 0.00 177.00 177.71 2hnb s LEU 40 N -2.76 3.38 0.41 -3.56 1.43 -1.26 -4.85 118.68 111.47 2hnb s LEU 40 Ca 0.61 2.02 0.09 0.00 -1.03 0.00 0.00 54.13 55.82 2hnb s LEU 40 Cb -0.44 -4.55 0.89 0.00 0.03 0.00 0.00 46.19 42.12 2hnb s LEU 40 CO 0.56 -1.68 2.03 0.25 0.23 0.00 0.00 176.35 177.73 2hnb h LEU 41 N -0.01 0.47 0.00 1.79 7.12 -1.91 -0.94 115.31 121.83 2hnb h LEU 41 Ca -0.47 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.54 2hnb h LEU 41 Cb 1.25 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2hnb h LEU 41 CO 0.54 0.32 0.00 -0.62 -0.13 0.00 0.00 178.44 178.55 2hnb n GLU 42 N -4.47 0.01 -0.07 1.25 1.02 -1.26 -2.95 120.64 114.16 2hnb n GLU 42 Ca 0.06 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.58 2hnb n GLU 42 Cb 0.16 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.16 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hnb n ASP 43 N -1.48 2.35 -3.98 1.62 2.03 -0.36 -4.98 116.55 111.75 2hnb n ASP 43 Ca 0.02 -2.35 -0.09 0.00 0.52 0.00 0.00 54.79 52.90 2hnb n ASP 43 Cb 0.09 -0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 2hnb n ASP 43 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2hnb s LEU 44 N -1.60 2.06 0.72 -2.67 0.05 -1.15 -4.90 118.68 111.18 2hnb s LEU 44 Ca 0.14 -0.63 -0.11 0.00 0.05 0.00 0.00 54.13 53.59 2hnb s LEU 44 Cb 0.11 0.39 0.02 0.00 -2.05 0.00 0.00 46.19 44.66 2hnb s LEU 44 CO 0.04 -0.48 1.07 -2.16 -0.55 0.00 0.00 176.35 174.27 2hnb s PRO 45 N -2.61 2.77 0.00 1.48 0.04 -1.26 -4.94 135.00 130.47 2hnb s PRO 45 Ca -0.05 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2hnb s PRO 45 Cb -0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2hnb s PRO 45 CO -0.05 -1.19 0.51 0.00 0.04 0.00 0.00 177.00 176.32 2hnb n ALA 46 N -3.17 2.36 -3.56 8.56 0.00 -1.26 -4.65 120.51 118.78 2hnb n ALA 46 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 2hnb n ALA 46 Cb 0.54 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 2hnb n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hnb s SER 47 N -0.23 -0.53 0.00 0.00 0.15 -1.26 -3.12 113.70 108.71 2hnb s SER 47 Ca 0.00 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2hnb s SER 47 Cb 0.00 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2hnb s SER 47 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2hnb n GLY 48 N 3.74 -0.49 3.10 9.45 0.00 -1.21 -4.90 105.19 114.89 2hnb n GLY 48 Ca -0.19 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.86 2.62 0.40 -0.61 1.01 -1.25 -1.23 121.20 120.28 2hnb s ILE 49 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 60.65 58.98 2hnb s ILE 49 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2hnb s ILE 49 CO 0.00 -0.26 0.33 0.26 0.00 0.00 0.00 174.94 175.27 2hnb s TRP 50 N 1.12 2.73 -0.28 3.97 0.23 -0.37 -3.54 118.94 122.80 2hnb s TRP 50 Ca -0.01 -0.47 -0.03 0.00 -2.03 0.00 0.00 56.10 53.56 2hnb s TRP 50 Cb -0.20 -2.07 0.11 0.00 0.03 0.00 0.00 33.47 31.33 2hnb s TRP 50 CO -0.04 -0.02 0.18 -1.17 0.96 0.00 0.00 176.95 176.86 2hnb s LEU 51 N -4.07 0.26 0.23 2.99 2.96 -1.10 -2.05 118.68 117.90 2hnb s LEU 51 Ca 0.46 -1.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.12 2hnb s LEU 51 Cb -0.03 -0.05 -0.08 0.00 0.50 0.00 0.00 46.19 46.53 2hnb s LEU 51 CO 0.27 -0.41 0.75 -0.69 -1.32 0.00 0.00 176.35 174.94 2hnb s VAL 52 N 2.19 4.52 0.02 1.68 1.01 0.33 -0.87 120.40 129.28 2hnb s VAL 52 Ca 0.09 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.47 2hnb s VAL 52 Cb -0.15 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2hnb s VAL 52 CO -0.33 0.23 -0.10 -0.63 0.00 0.00 0.00 175.10 174.26 2hnb s ILE 53 N -1.50 0.81 -0.11 2.22 1.09 -0.68 -1.09 121.20 121.94 2hnb s ILE 53 Ca 0.43 -0.69 -0.07 0.00 -1.10 0.00 0.00 60.65 59.22 2hnb s ILE 53 Cb -0.17 -0.73 0.04 0.00 -1.06 0.00 0.00 42.46 40.53 2hnb s ILE 53 CO 0.22 0.05 0.27 -0.44 -0.10 0.00 0.00 174.94 174.93 2hnb s SER 54 N -0.72 -0.29 0.69 3.58 0.01 -0.97 -3.34 113.70 112.65 2hnb s SER 54 Ca 0.01 0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 2hnb s SER 54 Cb -0.06 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2hnb s SER 54 CO 0.00 -0.13 1.06 -0.44 0.41 0.00 0.00 173.24 174.14 2hnb s SER 55 N 0.77 5.47 -0.26 2.44 0.01 -0.49 -1.53 113.70 120.10 2hnb s SER 55 Ca -0.05 1.56 -0.00 0.00 1.31 0.00 0.00 55.95 58.77 2hnb s SER 55 Cb -0.06 -2.45 0.08 0.00 0.21 0.00 0.00 66.02 63.79 2hnb s SER 55 CO -0.05 -1.38 0.02 -0.89 0.41 0.00 0.00 173.24 171.35 2hnb s THR 56 N -3.08 1.22 1.06 1.44 2.01 0.73 -4.25 115.64 114.77 2hnb s THR 56 Ca 0.58 -1.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 2hnb s THR 56 Cb -0.13 -1.70 0.23 0.00 0.01 0.00 0.00 72.50 70.90 2hnb s THR 56 CO 0.55 -0.33 1.07 -2.28 -0.69 0.00 0.00 174.62 172.93 2hnb s HIS 57 N 1.50 1.84 0.61 4.92 2.46 -1.10 -4.25 115.29 121.27 2hnb s HIS 57 Ca 0.01 1.03 0.30 0.00 0.47 0.00 0.00 55.06 56.87 2hnb s HIS 57 Cb -0.18 -3.21 1.68 0.00 -0.13 0.00 0.00 32.58 30.73 2hnb s HIS 57 CO -0.12 -3.26 2.03 0.78 -2.47 0.00 0.00 174.74 171.70 2hnb h GLY 58 N -2.17 0.00 -0.73 1.59 0.00 -1.91 -0.15 103.07 99.70 2hnb h GLY 58 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2hnb h GLY 58 CO 0.56 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.10 2hnb n ALA 59 N -2.21 2.20 -0.89 3.60 0.00 -1.26 -1.89 120.51 120.06 2hnb n ALA 59 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2hnb n ALA 59 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.11 0.48 3.66 0.00 0.00 -0.07 -4.99 105.19 104.16 2hnb n GLY 60 Ca 0.09 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.62 6.65 0.37 1.61 2.15 -1.26 -4.76 116.67 118.80 2hnb s ASP 61 Ca 0.00 2.27 -0.27 0.00 0.43 0.00 0.00 52.55 54.98 2hnb s ASP 61 Cb 0.00 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 2hnb s ASP 61 CO 0.00 -0.93 1.19 -0.63 -0.17 0.00 0.00 175.17 174.63 2hnb s ILE 62 N 4.07 3.10 0.49 4.11 1.01 -1.26 -2.72 121.20 129.99 2hnb s ILE 62 Ca 0.75 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 62.14 2hnb s ILE 62 Cb -0.34 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2hnb s ILE 62 CO 0.30 0.15 1.38 -2.16 0.00 0.00 0.00 174.94 174.61 2hnb s PRO 63 N -2.06 3.44 0.64 2.79 0.04 -1.26 -4.62 135.00 133.97 2hnb s PRO 63 Ca 0.53 2.29 0.38 0.00 0.04 0.00 0.00 61.00 64.25 2hnb s PRO 63 Cb -0.33 -2.46 2.13 0.00 0.04 0.00 0.00 34.50 33.88 2hnb s PRO 63 CO 0.42 -0.97 2.28 0.22 0.04 0.00 0.00 177.00 178.99 2hnb h ASP 64 N 1.92 0.00 0.36 6.66 3.58 -1.94 -0.23 116.42 126.76 2hnb h ASP 64 Ca -0.51 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.89 2hnb h ASP 64 Cb 1.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2hnb h ASP 64 CO 0.59 0.00 -0.24 -0.55 -2.88 0.00 0.00 179.24 176.17 2hnb h ASN 65 N 0.00 0.00 0.00 2.28 -1.07 -1.90 -3.37 115.58 111.52 2hnb h ASN 65 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 2hnb h ASN 65 Cb 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 2hnb h ASN 65 CO -0.00 0.24 -0.46 -0.11 0.07 0.00 0.00 177.43 177.16 2hnb n LEU 66 N -3.96 0.00 -0.12 6.14 7.94 -0.64 -4.33 117.00 122.02 2hnb n LEU 66 Ca -0.02 0.00 0.22 0.00 -1.11 0.00 0.00 56.01 55.10 2hnb n LEU 66 Cb 0.31 0.00 0.64 0.00 0.53 0.00 0.00 43.42 44.90 2hnb n LEU 66 CO 0.35 0.00 1.22 0.77 -1.11 0.00 0.00 177.39 178.62 2hnb h SER 67 N 0.00 0.13 -0.06 1.96 4.64 -1.24 0.07 113.55 119.05 2hnb h SER 67 Ca 0.00 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2hnb h SER 67 Cb 0.03 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2hnb h SER 67 CO 0.00 0.06 0.34 -0.65 -0.87 0.00 0.00 176.83 175.71 2hnb h PRO 68 N 0.14 0.00 -0.70 4.77 0.11 -1.87 -1.51 132.00 132.94 2hnb h PRO 68 Ca 0.35 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.54 2hnb h PRO 68 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2hnb h PRO 68 CO -0.05 0.00 0.46 0.35 -0.21 0.00 0.00 178.00 178.55 2hnb h PHE 69 N 0.00 0.68 -0.08 0.65 3.57 -1.30 -0.76 116.94 119.70 2hnb h PHE 69 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2hnb h PHE 69 Cb 0.70 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2hnb h PHE 69 CO 0.00 0.34 0.01 -0.92 -2.23 0.00 0.00 178.31 175.51 2hnb h TYR 70 N 0.66 0.14 -0.60 0.41 3.20 -1.47 -3.04 116.97 116.26 2hnb h TYR 70 Ca 0.31 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2hnb h TYR 70 Cb 0.36 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2hnb h TYR 70 CO -0.00 0.35 0.33 0.93 -1.64 0.00 0.00 178.16 178.13 2hnb h GLU 71 N -0.11 0.83 -0.04 1.82 5.08 -1.47 -1.90 114.58 118.79 2hnb h GLU 71 Ca 0.02 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2hnb h GLU 71 Cb 0.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2hnb h GLU 71 CO 0.00 0.63 0.03 0.00 -1.00 0.00 0.00 179.01 178.68 2hnb h ALA 72 N 1.15 2.02 0.00 3.43 0.00 -1.19 0.05 119.26 124.72 2hnb h ALA 72 Ca 0.21 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2hnb h ALA 72 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2hnb h ALA 72 CO -0.03 -0.05 -0.82 -0.07 0.00 0.00 0.00 179.25 178.28 2hnb h LEU 73 N 0.00 0.00 -0.05 0.00 3.38 -1.23 -2.97 115.31 114.44 2hnb h LEU 73 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2hnb h LEU 73 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2hnb h LEU 73 CO -0.00 0.82 -0.25 1.56 0.09 0.00 0.00 178.44 180.65 2hnb h GLN 74 N 0.00 0.25 0.00 1.13 1.08 -0.81 -1.05 115.11 115.71 2hnb h GLN 74 Ca -0.01 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2hnb h GLN 74 Cb 1.46 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.93 2hnb h GLN 74 CO 0.11 0.87 -0.15 0.93 -0.95 0.00 0.00 178.83 179.64 2hnb h GLU 75 N -0.30 0.00 0.00 1.46 5.08 -1.11 -3.27 114.58 116.44 2hnb h GLU 75 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2hnb h GLU 75 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2hnb h GLU 75 CO 0.05 0.15 -1.11 1.04 -1.00 0.00 0.00 179.01 178.14 2hnb n GLN 76 N -3.74 1.97 -4.03 2.33 6.02 -1.12 -5.04 117.38 113.75 2hnb n GLN 76 Ca -0.02 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.58 2hnb n GLN 76 Cb 0.26 -1.05 0.01 0.00 1.02 0.00 0.00 30.24 30.47 2hnb n GLN 76 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2hnb n LYS 77 N -1.83 -0.39 -1.00 -1.09 3.00 -0.40 -4.90 118.16 111.56 2hnb n LYS 77 Ca -0.02 -0.04 -0.29 0.00 -0.00 0.00 0.00 58.31 57.96 2hnb n LYS 77 Cb 0.32 -1.95 0.22 0.00 0.00 0.00 0.00 35.03 33.62 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2hnb s PRO 78 N -7.05 -0.73 -0.40 1.64 0.04 -1.26 -5.03 135.00 122.21 2hnb s PRO 78 Ca 0.37 0.26 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 2hnb s PRO 78 Cb -0.21 -1.62 0.05 0.00 0.04 0.00 0.00 34.50 32.76 2hnb s PRO 78 CO 0.81 -3.46 0.23 0.34 0.04 0.00 0.00 177.00 174.97 2hnb s ASP 79 N -3.51 5.69 -0.16 6.66 2.15 -1.26 -4.62 116.67 121.62 2hnb s ASP 79 Ca 0.68 -1.22 0.17 0.00 0.43 0.00 0.00 52.55 52.61 2hnb s ASP 79 Cb -0.15 -2.01 0.37 0.00 -0.30 0.00 0.00 42.92 40.83 2hnb s ASP 79 CO 0.58 -0.46 1.23 0.18 -0.17 0.00 0.00 175.17 176.54 2hnb n LEU 80 N 4.97 2.82 -0.30 -1.34 4.77 0.05 -4.86 117.00 123.10 2hnb n LEU 80 Ca -0.11 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 2hnb n LEU 80 Cb 0.45 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2hnb n LEU 80 CO 0.38 0.86 0.00 -1.20 -1.33 0.00 0.00 177.39 176.09 2hnb n SER 81 N -1.20 0.00 0.00 -1.43 7.64 -1.25 -1.02 113.62 116.36 2hnb n SER 81 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2hnb n SER 81 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.09 0.26 -2.16 -0.43 0.00 -1.24 -4.85 120.51 112.17 2hnb n ALA 82 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2hnb n ALA 82 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.01 3.99 0.04 0.00 1.01 -0.19 -3.33 120.40 121.91 2hnb s VAL 83 Ca 0.00 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.71 2hnb s VAL 83 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2hnb s VAL 83 CO 0.00 0.25 -0.24 -0.13 0.00 0.00 0.00 175.10 174.98 2hnb s ARG 84 N -0.06 1.63 0.24 2.72 1.81 -0.37 -2.29 118.95 122.63 2hnb s ARG 84 Ca 0.51 -1.03 -0.12 0.00 -1.72 0.00 0.00 55.73 53.36 2hnb s ARG 84 Cb -0.29 -1.78 -0.01 0.00 -0.45 0.00 0.00 34.95 32.43 2hnb s ARG 84 CO 0.33 0.46 0.45 -0.59 -0.68 0.00 0.00 175.30 175.27 2hnb s PHE 85 N -0.80 0.42 0.30 -0.53 -0.71 -1.07 -1.23 117.98 114.36 2hnb s PHE 85 Ca 0.10 -0.77 0.06 0.00 -1.04 0.00 0.00 56.93 55.29 2hnb s PHE 85 Cb -0.09 0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.78 2hnb s PHE 85 CO 0.02 -0.96 -0.03 0.20 -1.34 0.00 0.00 175.22 173.11 2hnb s GLY 86 N -3.02 1.96 -0.10 1.99 0.00 -0.87 -0.41 107.32 106.87 2hnb s GLY 86 Ca 0.23 -1.98 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 2hnb s GLY 86 CO 0.09 -1.87 0.25 0.00 0.00 0.00 0.00 173.10 171.57 2hnb s ALA 87 N -3.02 -0.60 -0.08 3.20 0.00 -1.26 -0.51 121.76 119.49 2hnb s ALA 87 Ca 0.32 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.14 2hnb s ALA 87 Cb 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2hnb s ALA 87 CO 0.13 -0.15 -0.18 0.42 0.00 0.00 0.00 175.76 175.98 2hnb s ILE 88 N 0.60 1.61 -0.13 0.00 -1.09 -0.25 -1.91 121.20 120.04 2hnb s ILE 88 Ca -0.04 -0.76 -0.05 0.00 -2.23 0.00 0.00 60.65 57.57 2hnb s ILE 88 Cb -0.05 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 2hnb s ILE 88 CO -0.03 0.46 0.04 -0.83 -1.23 0.00 0.00 174.94 173.35 2hnb s GLY 89 N 0.45 1.91 0.10 6.18 0.00 -0.09 -2.29 107.32 113.57 2hnb s GLY 89 Ca -0.16 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 43.86 2hnb s GLY 89 CO 0.06 -0.30 -0.14 -0.42 0.00 0.00 0.00 173.10 172.30 2hnb s ILE 90 N -0.41 1.23 0.00 0.90 1.01 -0.58 -1.01 121.20 122.34 2hnb s ILE 90 Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.18 2hnb s ILE 90 Cb -0.12 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2hnb s ILE 90 CO 0.02 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.22 2hnb n GLY 91 N 0.81 0.31 3.56 6.18 0.00 -1.19 -0.19 105.19 114.67 2hnb n GLY 91 Ca -0.18 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 2hnb n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hnb s SER 92 N 0.00 6.24 0.54 1.61 0.01 -1.26 -1.13 113.70 119.71 2hnb s SER 92 Ca 0.00 -1.16 0.23 0.00 1.31 0.00 0.00 55.95 56.34 2hnb s SER 92 Cb 0.00 -2.57 1.43 0.00 0.21 0.00 0.00 66.02 65.09 2hnb s SER 92 CO 0.00 -1.74 2.07 -0.09 0.41 0.00 0.00 173.24 173.89 2hnb h ARG 93 N 10.17 0.00 0.00 12.44 1.12 -1.89 -1.27 114.38 134.94 2hnb h ARG 93 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2hnb h ARG 93 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 2hnb h ARG 93 CO 1.37 0.00 0.00 -1.91 -3.11 0.00 0.00 179.97 176.32 2hnb n GLU 94 N -4.28 0.01 -1.08 0.20 4.07 -1.26 -4.27 120.64 114.03 2hnb n GLU 94 Ca 0.04 0.16 -0.29 0.00 -0.06 0.00 0.00 57.16 57.01 2hnb n GLU 94 Cb 0.38 -1.50 0.18 0.00 -0.06 0.00 0.00 31.44 30.45 2hnb n GLU 94 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2hnb s TYR 95 N -2.99 2.00 0.40 4.31 2.02 -0.48 -4.94 117.35 117.67 2hnb s TYR 95 Ca 0.10 1.05 0.08 0.00 -0.37 0.00 0.00 57.07 57.93 2hnb s TYR 95 Cb 0.13 -3.23 0.87 0.00 -0.40 0.00 0.00 41.96 39.33 2hnb s TYR 95 CO 0.36 -3.00 2.01 0.22 -1.57 0.00 0.00 175.55 173.57 2hnb h ASP 96 N -1.98 0.49 -3.44 2.29 3.58 -1.87 -3.32 116.42 112.18 2hnb h ASP 96 Ca -0.55 -0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.17 2hnb h ASP 96 Cb 1.33 -0.11 -0.23 0.00 1.72 0.00 0.00 39.33 42.04 2hnb h ASP 96 CO 0.56 0.34 -0.41 -0.89 -2.88 0.00 0.00 179.24 175.96 2hnb s THR 97 N -5.51 5.08 0.69 2.25 2.01 -0.79 -5.04 115.64 114.32 2hnb s THR 97 Ca -0.08 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 2hnb s THR 97 Cb 0.18 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2hnb s THR 97 CO 0.75 -0.41 1.18 -0.36 -0.69 0.00 0.00 174.62 175.08 2hnb s PHE 98 N 1.63 2.27 -0.63 4.92 0.40 -1.25 -4.80 117.98 120.51 2hnb s PHE 98 Ca 0.04 1.57 -0.39 0.00 -0.60 0.00 0.00 56.93 57.55 2hnb s PHE 98 Cb -0.21 -3.39 -0.19 0.00 0.51 0.00 0.00 43.02 39.74 2hnb s PHE 98 CO 0.08 -2.28 2.32 0.00 0.70 0.00 0.00 175.22 176.03 2hnb n GLY 100 N 7.09 0.00 0.27 0.00 0.00 -1.26 -4.82 105.19 106.47 2hnb n GLY 100 Ca 0.57 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.77 2hnb n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 101 N 0.00 1.00 -0.80 4.61 0.00 -1.82 -0.75 119.26 121.49 2hnb h ALA 101 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 2hnb h ALA 101 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2hnb h ALA 101 CO 0.00 0.00 0.54 0.97 0.00 0.00 0.00 179.25 180.76 2hnb h ILE 102 N 0.00 0.71 -0.99 0.00 6.09 -1.83 -3.13 117.51 118.34 2hnb h ILE 102 Ca 0.00 -0.10 0.19 0.00 -1.37 0.00 0.00 64.86 63.58 2hnb h ILE 102 Cb 0.15 0.38 -0.10 0.00 0.47 0.00 0.00 36.82 37.72 2hnb h ILE 102 CO 0.00 0.05 0.61 -0.78 -3.07 0.00 0.00 178.15 174.97 2hnb h ASP 103 N 0.30 0.73 -0.28 2.19 3.58 -1.54 0.53 116.42 121.93 2hnb h ASP 103 Ca 0.40 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.85 2hnb h ASP 103 Cb 1.12 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 2hnb h ASP 103 CO -0.11 0.27 -0.13 0.11 -2.88 0.00 0.00 179.24 176.50 2hnb h LYS 104 N 0.72 0.70 0.09 0.28 1.57 -1.78 -0.51 116.57 117.63 2hnb h LYS 104 Ca 0.56 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2hnb h LYS 104 Cb 0.94 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2hnb h LYS 104 CO -0.35 0.80 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.23 2hnb h LEU 105 N 0.64 -0.10 -0.87 2.94 3.38 -1.13 -3.09 115.31 117.07 2hnb h LEU 105 Ca 0.11 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 2hnb h LEU 105 Cb 0.59 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2hnb h LEU 105 CO 0.04 0.46 -0.20 1.05 0.09 0.00 0.00 178.44 179.88 2hnb h GLU 106 N -0.71 0.61 -0.57 1.13 4.11 -1.21 -1.72 114.58 116.22 2hnb h GLU 106 Ca -0.01 -0.22 -0.08 0.00 0.07 0.00 0.00 59.36 59.12 2hnb h GLU 106 Cb 0.56 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2hnb h GLU 106 CO 0.02 0.78 0.04 0.00 0.07 0.00 0.00 179.01 179.92 2hnb h ALA 107 N 1.23 0.99 -0.02 1.06 0.00 -1.20 -1.52 119.26 119.81 2hnb h ALA 107 Ca 0.08 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2hnb h ALA 107 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2hnb h ALA 107 CO 0.05 0.63 -0.67 0.93 0.00 0.00 0.00 179.25 180.18 2hnb h GLU 108 N 0.89 0.08 -0.27 0.00 4.39 -1.34 0.12 114.58 118.44 2hnb h GLU 108 Ca 0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2hnb h GLU 108 Cb 0.46 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2hnb h GLU 108 CO 0.02 0.72 0.11 -0.07 -1.16 0.00 0.00 179.01 178.63 2hnb h LEU 109 N 0.05 0.37 -0.71 1.33 3.38 -1.06 -0.49 115.31 118.17 2hnb h LEU 109 Ca -0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2hnb h LEU 109 Cb 1.19 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2hnb h LEU 109 CO 0.09 0.42 0.27 0.11 0.09 0.00 0.00 178.44 179.43 2hnb h LYS 110 N 0.29 1.07 -0.78 1.13 1.57 -1.00 -0.95 116.57 117.91 2hnb h LYS 110 Ca 0.09 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2hnb h LYS 110 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2hnb h LYS 110 CO -0.01 0.89 0.32 -0.97 -0.57 0.00 0.00 179.45 179.11 2hnb h ASN 111 N 1.02 1.06 0.38 0.86 -1.24 -0.69 -0.99 115.58 115.98 2hnb h ASN 111 Ca 0.24 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2hnb h ASN 111 Cb 0.23 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.00 2hnb h ASN 111 CO -0.02 0.94 0.00 -1.20 -1.29 0.00 0.00 177.43 175.86 2hnb n SER 112 N -4.28 0.00 0.00 1.15 7.64 -0.20 -4.87 113.62 113.05 2hnb n SER 112 Ca 0.07 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2hnb n SER 112 Cb 0.18 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.09 1.88 3.45 0.23 0.00 -0.37 -0.77 105.19 109.69 2hnb n GLY 113 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.80 -0.51 -0.02 4.61 0.00 -0.45 -4.04 121.76 119.56 2hnb s ALA 114 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2hnb s ALA 114 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2hnb s ALA 114 CO 0.00 -4.04 0.04 0.15 0.00 0.00 0.00 175.76 171.91 2hnb s LYS 115 N -4.70 0.02 1.17 0.00 1.02 -0.97 -4.20 119.74 112.08 2hnb s LYS 115 Ca 0.68 0.12 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 2hnb s LYS 115 Cb -0.21 -0.08 0.29 0.00 -0.52 0.00 0.00 37.83 37.31 2hnb s LYS 115 CO 0.62 -0.07 1.03 -1.14 -0.92 0.00 0.00 175.35 174.87 2hnb s GLN 116 N 0.43 -0.99 0.05 1.68 0.74 -1.26 -2.61 119.66 117.70 2hnb s GLN 116 Ca -0.03 0.71 0.03 0.00 0.05 0.00 0.00 55.36 56.12 2hnb s GLN 116 Cb -0.05 -1.55 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 2hnb s GLN 116 CO -0.01 -3.74 -0.11 0.99 -0.55 0.00 0.00 175.29 171.87 2hnb s THR 117 N -2.52 0.79 0.00 -0.34 2.01 0.46 -4.71 115.64 111.32 2hnb s THR 117 Ca 0.68 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2hnb s THR 117 Cb -0.24 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2hnb s THR 117 CO 0.64 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 2hnb n GLY 118 N 1.42 2.96 3.10 4.40 0.00 -1.26 -4.69 105.19 111.12 2hnb n GLY 118 Ca -0.22 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 0.64 0.28 1.61 2.02 -1.26 -5.14 118.70 116.86 2hnb s GLU 119 Ca 0.00 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 2hnb s GLU 119 Cb 0.00 -0.00 -0.11 0.00 0.10 0.00 0.00 34.13 34.12 2hnb s GLU 119 CO 0.00 -0.05 1.50 0.99 0.02 0.00 0.00 175.26 177.72 2hnb s THR 120 N -3.24 2.36 0.15 3.63 2.01 -1.26 -4.81 115.64 114.47 2hnb s THR 120 Ca 0.04 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.28 2hnb s THR 120 Cb 0.03 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 2hnb s THR 120 CO -0.06 0.05 0.42 -0.22 -0.69 0.00 0.00 174.62 174.13 2hnb s LEU 121 N -0.65 4.27 0.04 4.42 2.96 -0.80 -5.01 118.68 123.90 2hnb s LEU 121 Ca 0.60 0.72 0.08 0.00 -0.22 0.00 0.00 54.13 55.30 2hnb s LEU 121 Cb -0.45 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2hnb s LEU 121 CO 0.47 0.06 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.80 2hnb s LYS 122 N -2.50 1.50 -0.20 1.98 3.01 -1.26 -0.92 119.74 121.36 2hnb s LYS 122 Ca 0.40 -0.96 -0.04 0.00 -1.01 0.00 0.00 55.97 54.36 2hnb s LYS 122 Cb -0.12 -1.62 0.06 0.00 -1.01 0.00 0.00 37.83 35.14 2hnb s LYS 122 CO 0.22 0.42 0.07 0.42 0.51 0.00 0.00 175.35 176.98 2hnb s ILE 123 N -0.78 0.26 0.40 2.17 1.01 -0.18 -4.94 121.20 119.14 2hnb s ILE 123 Ca 0.08 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.02 2hnb s ILE 123 Cb -0.09 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 2hnb s ILE 123 CO 0.02 -0.30 1.24 0.21 0.00 0.00 0.00 174.94 176.11 2hnb s ASN 124 N 1.97 6.42 0.00 3.58 2.47 -1.26 -3.14 114.94 124.99 2hnb s ASN 124 Ca 0.01 2.51 0.00 0.00 0.42 0.00 0.00 52.86 55.80 2hnb s ASN 124 Cb -0.17 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.01 2hnb s ASN 124 CO -0.11 -0.76 0.71 2.30 -3.72 0.00 0.00 177.10 175.52 2hnb n ILE 125 N 0.13 0.45 -0.33 -5.21 -6.64 -0.28 -4.57 119.36 102.91 2hnb n ILE 125 Ca 0.04 -0.47 -0.03 0.00 -1.77 0.00 0.00 62.75 60.52 2hnb n ILE 125 Cb 0.45 0.81 0.11 0.00 -1.44 0.00 0.00 39.64 39.57 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 1.10 -4.10 7.28 5.85 -1.92 -3.35 115.31 120.18 2hnb h LEU 126 Ca 0.00 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.45 2hnb h LEU 126 Cb 0.72 -0.28 -0.28 0.00 0.37 0.00 0.00 40.66 41.19 2hnb h LEU 126 CO 0.00 0.86 -0.72 -0.67 -0.34 0.00 0.00 178.44 177.58 2hnb n ASP 127 N -4.35 0.14 -3.66 1.25 2.03 -1.26 -5.09 116.55 105.62 2hnb n ASP 127 Ca 0.10 -2.06 -0.14 0.00 0.52 0.00 0.00 54.79 53.20 2hnb n ASP 127 Cb 0.08 0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 40.43 2hnb n ASP 127 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2hnb s HIS 128 N -1.16 -0.34 -0.33 -0.67 2.46 -1.26 -5.09 115.29 108.89 2hnb s HIS 128 Ca 0.19 0.49 0.15 0.00 0.47 0.00 0.00 55.06 56.35 2hnb s HIS 128 Cb 0.31 0.23 0.43 0.00 -0.13 0.00 0.00 32.58 33.42 2hnb s HIS 128 CO -0.09 -0.52 1.39 -3.47 -2.47 0.00 0.00 174.74 169.58 2hnb n ASP 129 N 0.89 -0.71 -4.25 9.88 2.03 -1.26 -4.39 116.55 118.73 2hnb n ASP 129 Ca -0.20 -2.24 -0.30 0.00 0.52 0.00 0.00 54.79 52.57 2hnb n ASP 129 Cb 0.58 0.42 -0.10 0.00 -0.72 0.00 0.00 41.12 41.30 2hnb n ASP 129 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2hnb n ILE 130 N -1.11 -0.95 -1.85 5.18 -5.35 -1.26 -4.91 119.36 109.11 2hnb n ILE 130 Ca -0.09 -0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 61.50 2hnb n ILE 130 Cb 0.85 -0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 37.78 2hnb n ILE 130 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2hnb s PRO 131 N -7.22 4.16 -1.91 6.28 0.04 -1.26 -1.21 135.00 133.89 2hnb s PRO 131 Ca 0.01 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2hnb s PRO 131 Cb -0.01 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2hnb s PRO 131 CO 0.96 -0.55 0.00 -1.91 0.04 0.00 0.00 177.00 175.54 2hnb n GLU 132 N 1.88 -1.51 -3.78 4.56 4.07 -1.26 -4.29 120.64 120.30 2hnb n GLU 132 Ca 0.06 1.12 -0.28 0.00 -0.06 0.00 0.00 57.16 58.00 2hnb n GLU 132 Cb 0.38 -5.50 0.00 0.00 -0.06 0.00 0.00 31.44 26.27 2hnb n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2hnb n ASP 133 N -1.27 -4.20 0.25 4.31 2.03 -0.35 -4.86 116.55 112.46 2hnb n ASP 133 Ca -0.18 -0.97 0.17 0.00 0.52 0.00 0.00 54.79 54.32 2hnb n ASP 133 Cb 0.65 -1.45 0.78 0.00 -0.72 0.00 0.00 41.12 40.38 2hnb n ASP 133 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2hnb h PRO 134 N -0.66 0.00 0.00 -0.67 0.13 -1.80 -2.53 132.00 126.47 2hnb h PRO 134 Ca -0.61 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2hnb h PRO 134 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2hnb h PRO 134 CO 0.37 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.14 2hnb h ALA 135 N 2.06 1.07 -0.78 -0.56 0.00 -1.94 -2.56 119.26 116.54 2hnb h ALA 135 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2hnb h ALA 135 Cb 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2hnb h ALA 135 CO 0.00 0.00 0.52 1.49 0.00 0.00 0.00 179.25 181.26 2hnb h GLU 136 N 0.00 0.52 -0.45 0.00 4.81 -1.81 0.23 114.58 117.88 2hnb h GLU 136 Ca -0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2hnb h GLU 136 Cb 0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2hnb h GLU 136 CO 0.00 0.35 0.07 0.93 -0.73 0.00 0.00 179.01 179.63 2hnb h GLU 137 N 0.54 0.74 -0.06 1.92 4.39 -1.71 -0.15 114.58 120.25 2hnb h GLU 137 Ca 0.38 -0.20 -0.20 0.00 0.34 0.00 0.00 59.36 59.68 2hnb h GLU 137 Cb 0.72 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2hnb h GLU 137 CO -0.14 0.76 -0.80 2.35 -1.16 0.00 0.00 179.01 180.02 2hnb h TRP 138 N 0.60 0.58 -0.55 4.33 2.91 -1.55 -2.87 115.95 119.40 2hnb h TRP 138 Ca 0.13 -0.28 -0.02 0.00 1.13 0.00 0.00 58.89 59.85 2hnb h TRP 138 Cb 0.38 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 2hnb h TRP 138 CO 0.03 1.06 0.25 1.25 -1.03 0.00 0.00 178.44 180.00 2hnb h LEU 139 N 0.27 0.71 -0.51 0.65 5.85 -0.82 -1.72 115.31 119.74 2hnb h LEU 139 Ca -0.05 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.69 2hnb h LEU 139 Cb 1.40 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2hnb h LEU 139 CO 0.14 0.61 0.07 1.23 -0.34 0.00 0.00 178.44 180.15 2hnb h GLY 140 N 0.89 0.59 1.01 3.75 0.00 -0.80 -1.17 103.07 107.34 2hnb h GLY 140 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2hnb h GLY 140 CO -0.02 -0.10 0.37 1.76 0.00 0.00 0.00 176.54 178.55 2hnb h SER 141 N 0.20 0.88 -0.01 0.19 0.02 -1.23 -1.38 113.55 112.23 2hnb h SER 141 Ca 0.26 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2hnb h SER 141 Cb 0.37 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2hnb h SER 141 CO -0.36 0.74 0.01 -0.50 -1.14 0.00 0.00 176.83 175.57 2hnb h TRP 142 N 0.96 0.01 -0.32 3.45 6.55 -0.71 -2.04 115.95 123.85 2hnb h TRP 142 Ca 0.24 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 60.01 2hnb h TRP 142 Cb 0.06 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.34 2hnb h TRP 142 CO -0.00 0.03 -0.10 -0.39 -1.05 0.00 0.00 178.44 176.93 2hnb h VAL 143 N -0.01 1.23 0.00 1.49 -1.51 -1.08 -0.48 116.25 115.89 2hnb h VAL 143 Ca 0.00 -0.99 -0.01 0.00 -1.23 0.00 0.00 66.70 64.47 2hnb h VAL 143 Cb 0.02 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2hnb h VAL 143 CO -0.00 0.33 -0.06 -1.13 -1.23 0.00 0.00 177.57 175.48 2hnb h ASN 144 N 0.50 0.00 0.00 4.19 -0.00 -0.96 -1.56 115.58 117.76 2hnb h ASN 144 Ca 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.34 2hnb h ASN 144 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 2hnb h ASN 144 CO 0.03 0.06 -0.70 0.18 -0.00 0.00 0.00 177.43 176.99 2hnb n LEU 145 N -3.37 1.82 0.23 0.34 4.77 -0.66 -4.60 117.00 115.54 2hnb n LEU 145 Ca -0.02 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 2hnb n LEU 145 Cb 0.21 -0.88 0.53 0.00 -2.33 0.00 0.00 43.42 40.94 2hnb n LEU 145 CO 0.27 -0.31 0.84 0.17 -1.33 0.00 0.00 177.39 177.02 2hnb h LEU 146 N -1.00 0.00 0.00 2.23 8.10 -1.10 -3.52 115.31 120.02 2hnb h LEU 146 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2hnb h LEU 146 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 2hnb h LEU 146 CO -0.05 0.23 0.00 0.29 -4.11 0.00 0.00 178.44 174.81