#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 -0.37 0.00 -5.12 0.00 -1.26 -4.42 121.76 110.59 2hnb s ALA 2 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2hnb s ALA 2 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2hnb s ALA 2 CO 0.00 -0.45 0.00 -3.47 0.00 0.00 0.00 175.76 171.84 2hnb n ASP 3 N 0.30 0.91 -3.71 0.00 2.03 -0.30 -4.86 116.55 110.92 2hnb n ASP 3 Ca -0.17 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.86 2hnb n ASP 3 Cb 0.61 0.12 -0.11 0.00 -0.72 0.00 0.00 41.12 41.02 2hnb n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2hnb n ILE 4 N -0.60 1.43 -2.38 5.18 5.41 -0.23 -4.26 119.36 123.90 2hnb n ILE 4 Ca 0.00 -4.77 -0.43 0.00 1.00 0.00 0.00 62.75 58.55 2hnb n ILE 4 Cb 0.06 -2.10 -0.02 0.00 -0.71 0.00 0.00 39.64 36.86 2hnb n ILE 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2hnb s THR 5 N -1.54 4.11 0.40 1.39 2.01 -1.25 -3.78 115.64 116.97 2hnb s THR 5 Ca 0.30 1.28 -0.08 0.00 0.31 0.00 0.00 61.69 63.49 2hnb s THR 5 Cb 0.02 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2hnb s THR 5 CO -0.13 -0.36 0.72 -0.76 -0.69 0.00 0.00 174.62 173.40 2hnb s LEU 6 N 4.26 3.84 -0.40 4.42 1.43 0.54 -3.42 118.68 129.34 2hnb s LEU 6 Ca 0.58 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2hnb s LEU 6 Cb -0.19 -3.87 0.12 0.00 0.03 0.00 0.00 46.19 42.27 2hnb s LEU 6 CO 0.22 -0.39 0.16 -0.63 0.23 0.00 0.00 176.35 175.93 2hnb s ILE 7 N -2.39 1.76 0.30 -0.59 1.01 0.61 -1.16 121.20 120.74 2hnb s ILE 7 Ca 0.49 -2.38 -0.08 0.00 0.00 0.00 0.00 60.65 58.68 2hnb s ILE 7 Cb -0.10 -2.27 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 2hnb s ILE 7 CO 0.34 -0.74 0.61 -0.44 0.00 0.00 0.00 174.94 174.71 2hnb s SER 8 N 0.68 6.54 0.00 3.58 0.01 0.49 -1.39 113.70 123.60 2hnb s SER 8 Ca 0.14 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2hnb s SER 8 Cb -0.22 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2hnb s SER 8 CO -0.08 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2hnb n GLY 9 N -0.75 1.39 3.20 3.44 0.00 -1.20 -1.08 105.19 110.19 2hnb n GLY 9 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 2hnb n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hnb s SER 10 N 0.00 -0.01 0.00 1.61 0.15 -1.26 -3.70 113.70 110.49 2hnb s SER 10 Ca 0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2hnb s SER 10 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2hnb s SER 10 CO 0.00 -0.59 0.00 0.35 1.20 0.00 0.00 173.24 174.20 2hnb n THR 11 N 0.58 0.00 0.29 6.45 -2.24 -1.26 -4.67 114.28 113.42 2hnb n THR 11 Ca -0.18 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.77 2hnb n THR 11 Cb 0.59 -0.40 0.82 0.00 -2.10 0.00 0.00 70.33 69.24 2hnb n THR 11 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hnb h LEU 12 N 0.00 0.00 -0.45 3.22 3.38 -1.96 -3.47 115.31 116.03 2hnb h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hnb h LEU 12 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2hnb h LEU 12 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2hnb n GLY 13 N -0.32 0.81 0.00 0.83 0.00 -1.26 -4.97 105.19 100.28 2hnb n GLY 13 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.69 0.00 0.22 -0.02 0.00 -1.26 -4.76 105.19 98.68 2hnb n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.33 -0.67 4.61 0.00 -1.94 -0.14 119.26 122.46 2hnb h ALA 15 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2hnb h ALA 15 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2hnb h ALA 15 CO 0.00 0.46 0.14 1.05 0.00 0.00 0.00 179.25 180.90 2hnb h GLU 16 N 0.24 1.07 -0.07 0.00 4.11 -1.88 0.07 114.58 118.13 2hnb h GLU 16 Ca 0.04 -0.26 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 2hnb h GLU 16 Cb 0.56 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2hnb h GLU 16 CO 0.04 0.96 -0.09 -0.92 0.07 0.00 0.00 179.01 179.07 2hnb h TYR 17 N 1.01 0.22 -0.64 2.06 3.20 -1.64 -2.36 116.97 118.83 2hnb h TYR 17 Ca 0.21 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2hnb h TYR 17 Cb 0.39 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2hnb h TYR 17 CO 0.03 0.66 0.36 0.28 -1.64 0.00 0.00 178.16 177.85 2hnb h VAL 18 N -0.28 1.20 -0.18 1.81 2.07 -0.98 0.92 116.25 120.80 2hnb h VAL 18 Ca 0.01 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2hnb h VAL 18 Cb 0.64 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2hnb h VAL 18 CO 0.02 0.21 0.11 0.00 0.02 0.00 0.00 177.57 177.94 2hnb h ALA 19 N 1.18 0.23 -0.48 1.67 0.00 -0.99 -0.30 119.26 120.56 2hnb h ALA 19 Ca 0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2hnb h ALA 19 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2hnb h ALA 19 CO -0.04 -0.27 0.12 1.49 0.00 0.00 0.00 179.25 180.55 2hnb h GLU 20 N 0.23 0.77 -0.66 0.00 4.81 -1.09 0.34 114.58 118.97 2hnb h GLU 20 Ca 0.07 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2hnb h GLU 20 Cb 0.00 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2hnb h GLU 20 CO -0.01 0.75 0.22 1.25 -0.73 0.00 0.00 179.01 180.48 2hnb h HIS 21 N 0.66 1.03 -0.08 0.92 2.76 -0.58 -1.06 115.15 118.80 2hnb h HIS 21 Ca 0.15 -0.09 -0.21 0.00 -2.20 0.00 0.00 60.37 58.02 2hnb h HIS 21 Cb 0.32 -0.30 0.01 0.00 1.55 0.00 0.00 27.41 28.99 2hnb h HIS 21 CO 0.02 0.82 -0.79 -0.07 -1.30 0.00 0.00 177.93 176.61 2hnb h LEU 22 N 0.97 0.82 -0.98 0.26 3.38 -0.95 -3.29 115.31 115.53 2hnb h LEU 22 Ca 0.22 -0.68 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2hnb h LEU 22 Cb 0.26 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2hnb h LEU 22 CO -0.01 1.39 0.63 0.00 0.09 0.00 0.00 178.44 180.54 2hnb h ALA 23 N 0.46 1.33 -0.61 1.53 0.00 -0.54 -1.47 119.26 119.96 2hnb h ALA 23 Ca -0.08 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2hnb h ALA 23 Cb 1.44 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2hnb h ALA 23 CO 0.16 0.47 0.17 1.49 0.00 0.00 0.00 179.25 181.53 2hnb h GLU 24 N 1.19 0.30 -0.46 0.00 4.81 -1.27 0.39 114.58 119.54 2hnb h GLU 24 Ca 0.41 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.49 2hnb h GLU 24 Cb 0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2hnb h GLU 24 CO -0.15 0.20 -0.21 0.87 -0.73 0.00 0.00 179.01 178.99 2hnb h LYS 25 N 0.31 0.94 -0.60 1.92 1.79 -1.37 -1.45 116.57 118.11 2hnb h LYS 25 Ca 0.31 -0.39 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 2hnb h LYS 25 Cb 0.44 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2hnb h LYS 25 CO -0.37 1.05 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.96 2hnb h LEU 26 N 0.81 1.05 -0.61 2.94 3.38 -0.75 -0.27 115.31 121.86 2hnb h LEU 26 Ca 0.11 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2hnb h LEU 26 Cb 0.77 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2hnb h LEU 26 CO 0.06 1.11 0.04 -0.33 0.09 0.00 0.00 178.44 179.41 2hnb h GLU 27 N 0.97 1.05 -0.44 1.13 5.08 -0.77 -0.71 114.58 120.89 2hnb h GLU 27 Ca 0.17 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2hnb h GLU 27 Cb 0.58 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2hnb h GLU 27 CO 0.03 1.01 0.00 0.93 -1.00 0.00 0.00 179.01 179.99 2hnb h GLU 28 N 0.96 0.71 0.00 2.33 4.39 -1.06 -2.09 114.58 119.82 2hnb h GLU 28 Ca 0.18 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2hnb h GLU 28 Cb 0.51 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2hnb h GLU 28 CO 0.02 0.72 -0.18 0.00 -1.16 0.00 0.00 179.01 178.42 2hnb h ALA 29 N 1.34 1.10 0.00 3.43 0.00 -0.66 -3.47 119.26 121.00 2hnb h ALA 29 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hnb h ALA 29 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2hnb h ALA 29 CO 0.02 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2hnb n GLY 30 N -0.16 1.03 3.79 0.00 0.00 -0.46 -5.08 105.19 104.31 2hnb n GLY 30 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.70 0.04 1.61 0.08 -0.40 -4.96 117.98 114.05 2hnb s PHE 31 Ca 0.00 0.57 0.09 0.00 0.12 0.00 0.00 56.93 57.71 2hnb s PHE 31 Cb 0.00 -3.66 -0.03 0.00 -0.57 0.00 0.00 43.02 38.76 2hnb s PHE 31 CO 0.00 -2.82 -0.25 0.95 -0.10 0.00 0.00 175.22 173.01 2hnb s THR 32 N -3.44 2.27 0.21 0.64 -4.23 -1.26 -4.14 115.64 105.70 2hnb s THR 32 Ca 0.69 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2hnb s THR 32 Cb -0.09 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 2hnb s THR 32 CO 0.54 0.39 0.06 0.42 -0.54 0.00 0.00 174.62 175.49 2hnb s THR 33 N -0.81 0.50 0.12 3.99 -4.23 -1.26 -1.07 115.64 112.89 2hnb s THR 33 Ca 0.12 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.49 2hnb s THR 33 Cb -0.10 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.37 2hnb s THR 33 CO 0.02 -0.20 0.38 -0.70 -0.54 0.00 0.00 174.62 173.59 2hnb s GLU 34 N -4.01 1.06 -0.59 3.99 2.56 -1.25 -4.66 118.70 115.81 2hnb s GLU 34 Ca 0.32 -0.74 0.06 0.00 0.00 0.00 0.00 54.97 54.61 2hnb s GLU 34 Cb 0.07 0.46 0.23 0.00 2.00 0.00 0.00 34.13 36.89 2hnb s GLU 34 CO 0.09 -0.41 0.64 0.25 -0.56 0.00 0.00 175.26 175.27 2hnb n THR 35 N -0.21 1.48 -2.08 -1.70 -2.24 -1.26 -0.34 114.28 107.93 2hnb n THR 35 Ca -0.16 -4.84 -0.43 0.00 -2.27 0.00 0.00 64.05 56.35 2hnb n THR 35 Cb 0.64 -2.06 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.94 3.86 -0.47 3.22 1.43 -0.31 -4.71 118.68 119.75 2hnb s LEU 36 Ca 0.36 1.62 -0.28 0.00 -1.03 0.00 0.00 54.13 54.80 2hnb s LEU 36 Cb 0.12 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.83 2hnb s LEU 36 CO -0.07 -1.32 1.06 -1.00 0.23 0.00 0.00 176.35 175.26 2hnb s HIS 37 N 5.43 2.85 -1.08 0.29 3.76 -1.26 -0.38 115.29 124.90 2hnb s HIS 37 Ca 0.73 0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 56.20 2hnb s HIS 37 Cb -0.25 -4.27 0.00 0.00 1.11 0.00 0.00 32.58 29.17 2hnb s HIS 37 CO 0.30 -1.21 0.91 0.41 -0.85 0.00 0.00 174.74 174.30 2hnb n GLY 38 N 4.89 -0.28 3.62 -2.22 0.00 -0.24 -4.97 105.19 105.98 2hnb n GLY 38 Ca 0.10 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.49 -0.48 0.37 1.61 0.04 -1.26 -4.76 135.00 125.03 2hnb s PRO 39 Ca 0.17 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.51 2hnb s PRO 39 Cb -0.08 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2hnb s PRO 39 CO 0.63 -3.29 0.13 -0.51 0.04 0.00 0.00 177.00 174.00 2hnb s LEU 40 N -6.76 1.94 0.48 -3.56 1.02 -1.26 -4.56 118.68 105.98 2hnb s LEU 40 Ca 0.68 -1.59 0.19 0.00 0.02 0.00 0.00 54.13 53.42 2hnb s LEU 40 Cb -0.15 -0.06 1.19 0.00 0.02 0.00 0.00 46.19 47.19 2hnb s LEU 40 CO 0.57 -0.87 1.99 0.25 0.02 0.00 0.00 176.35 178.32 2hnb h LEU 41 N 1.96 0.20 0.00 1.79 5.85 -1.88 -0.58 115.31 122.65 2hnb h LEU 41 Ca -0.36 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2hnb h LEU 41 Cb 1.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2hnb h LEU 41 CO 0.57 0.11 0.00 -0.62 -0.34 0.00 0.00 178.44 178.17 2hnb n GLU 42 N -4.44 0.06 -0.30 1.25 1.02 -1.26 -2.48 120.64 114.49 2hnb n GLU 42 Ca 0.09 0.28 0.02 0.00 -0.02 0.00 0.00 57.16 57.54 2hnb n GLU 42 Cb 0.46 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.38 0.66 -3.69 1.62 2.03 -0.24 -5.02 116.55 110.53 2hnb n ASP 43 Ca 0.03 -2.12 -0.25 0.00 0.52 0.00 0.00 54.79 52.97 2hnb n ASP 43 Cb 0.07 -0.22 -0.17 0.00 -0.72 0.00 0.00 41.12 40.08 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 -0.73 0.64 0.84 -2.67 1.43 -1.03 -4.86 118.68 112.30 2hnb s LEU 44 Ca 0.08 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2hnb s LEU 44 Cb 0.07 -0.38 0.09 0.00 0.03 0.00 0.00 46.19 46.00 2hnb s LEU 44 CO 0.01 -0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.23 2hnb s PRO 45 N 2.02 1.73 -0.03 1.29 0.04 -1.26 -4.83 135.00 133.96 2hnb s PRO 45 Ca 0.02 0.80 0.02 0.00 0.04 0.00 0.00 61.00 61.88 2hnb s PRO 45 Cb -0.15 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.63 2hnb s PRO 45 CO -0.07 -1.91 0.68 0.00 0.04 0.00 0.00 177.00 175.75 2hnb n ALA 46 N -3.65 2.69 -3.42 8.56 0.00 -1.26 -4.70 120.51 118.73 2hnb n ALA 46 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 2hnb n ALA 46 Cb 0.55 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.06 -0.53 0.00 0.00 0.01 -1.26 -3.37 113.70 108.48 2hnb s SER 47 Ca 0.07 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2hnb s SER 47 Cb 0.05 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.30 2hnb s SER 47 CO 0.02 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2hnb n GLY 48 N 2.94 -0.71 2.85 3.44 0.00 -1.23 -4.90 105.19 107.58 2hnb n GLY 48 Ca -0.14 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.66 1.43 0.51 -0.61 1.09 -1.25 -1.01 121.20 119.70 2hnb s ILE 49 Ca 0.00 -1.71 0.08 0.00 -1.10 0.00 0.00 60.65 57.92 2hnb s ILE 49 Cb 0.00 -2.03 0.04 0.00 -1.06 0.00 0.00 42.46 39.41 2hnb s ILE 49 CO 0.00 -0.59 0.61 0.26 -0.10 0.00 0.00 174.94 175.12 2hnb s TRP 50 N 1.35 1.97 -0.22 3.97 0.23 -0.04 -3.83 118.94 122.36 2hnb s TRP 50 Ca 0.09 -0.64 -0.03 0.00 -2.03 0.00 0.00 56.10 53.49 2hnb s TRP 50 Cb -0.18 -2.19 0.10 0.00 0.03 0.00 0.00 33.47 31.23 2hnb s TRP 50 CO -0.17 -0.71 0.24 -1.17 0.96 0.00 0.00 176.95 176.10 2hnb s LEU 51 N -4.44 -0.14 -0.03 2.99 2.96 -1.22 -1.94 118.68 116.86 2hnb s LEU 51 Ca 0.53 -0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 53.90 2hnb s LEU 51 Cb -0.06 0.42 -0.04 0.00 0.50 0.00 0.00 46.19 47.01 2hnb s LEU 51 CO 0.33 -0.34 0.70 -0.69 -1.32 0.00 0.00 176.35 175.03 2hnb s VAL 52 N 2.34 4.96 -0.05 1.68 1.01 -0.06 -0.28 120.40 130.00 2hnb s VAL 52 Ca 0.08 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2hnb s VAL 52 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2hnb s VAL 52 CO -0.16 0.30 -0.10 -0.63 0.00 0.00 0.00 175.10 174.51 2hnb s ILE 53 N 0.48 0.93 -0.10 2.22 1.01 -0.49 -2.58 121.20 122.67 2hnb s ILE 53 Ca 0.37 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 2hnb s ILE 53 Cb -0.18 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.46 2hnb s ILE 53 CO 0.19 0.30 0.33 -0.44 0.00 0.00 0.00 174.94 175.33 2hnb s SER 54 N 0.57 -0.32 0.73 3.58 0.01 -1.16 -3.27 113.70 113.84 2hnb s SER 54 Ca -0.11 0.56 -0.11 0.00 1.31 0.00 0.00 55.95 57.61 2hnb s SER 54 Cb -0.14 0.62 0.03 0.00 0.21 0.00 0.00 66.02 66.74 2hnb s SER 54 CO 0.02 -0.18 1.07 -0.44 0.41 0.00 0.00 173.24 174.12 2hnb s SER 55 N -0.13 5.04 0.00 2.44 0.01 -1.24 -1.78 113.70 118.05 2hnb s SER 55 Ca -0.03 1.63 0.05 0.00 1.31 0.00 0.00 55.95 58.92 2hnb s SER 55 Cb -0.03 -2.45 0.10 0.00 0.21 0.00 0.00 66.02 63.86 2hnb s SER 55 CO 0.01 -1.66 0.93 0.41 0.41 0.00 0.00 173.24 173.34 2hnb n THR 56 N -3.27 0.58 -1.47 1.44 -1.04 0.04 -4.41 114.28 106.15 2hnb n THR 56 Ca 0.08 -0.79 -0.02 0.00 -2.04 0.00 0.00 64.05 61.28 2hnb n THR 56 Cb 0.54 0.76 -0.01 0.00 -1.82 0.00 0.00 70.33 69.80 2hnb n THR 56 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2hnb n HIS 57 N 0.12 -1.21 -1.47 -1.42 -0.00 -1.24 -0.91 115.22 109.09 2hnb n HIS 57 Ca 0.05 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.06 2hnb n HIS 57 Cb 0.25 -1.20 -0.07 0.00 -0.12 0.00 0.00 29.99 28.85 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 -0.18 1.57 0.00 1.57 0.00 -1.26 -4.69 105.19 102.20 2hnb n GLY 58 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.01 0.00 0.00 4.61 0.00 -0.10 -4.42 120.51 121.61 2hnb n ALA 59 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2hnb n ALA 59 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 3.80 0.00 0.00 -0.09 -4.95 105.19 104.41 2hnb n GLY 60 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.64 5.63 0.04 1.61 2.15 -1.25 -3.87 116.67 118.33 2hnb s ASP 61 Ca 0.00 1.79 0.08 0.00 0.43 0.00 0.00 52.55 54.85 2hnb s ASP 61 Cb 0.00 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2hnb s ASP 61 CO 0.00 -1.27 -0.23 -0.63 -0.17 0.00 0.00 175.17 172.87 2hnb s ILE 62 N -2.57 1.84 -0.19 4.11 1.01 -1.26 -3.58 121.20 120.55 2hnb s ILE 62 Ca 0.63 -1.25 -0.41 0.00 0.00 0.00 0.00 60.65 59.62 2hnb s ILE 62 Cb -0.16 -1.58 -0.18 0.00 0.01 0.00 0.00 42.46 40.55 2hnb s ILE 62 CO 0.41 0.28 1.45 -2.65 0.00 0.00 0.00 174.94 174.43 2hnb n PRO 63 N 1.87 0.57 0.30 2.79 -0.02 -1.26 -4.69 135.00 134.55 2hnb n PRO 63 Ca -0.17 0.21 0.16 0.00 -2.02 0.00 0.00 63.50 61.68 2hnb n PRO 63 Cb 0.53 -1.79 0.96 0.00 -0.02 0.00 0.00 33.50 33.18 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 5.00 0.00 1.22 2.55 3.58 -1.99 0.14 116.42 126.93 2hnb h ASP 64 Ca -0.47 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 2hnb h ASP 64 Cb 1.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 2hnb h ASP 64 CO 0.85 0.01 -0.17 -0.55 -2.88 0.00 0.00 179.24 176.50 2hnb h ASN 65 N 0.00 0.00 0.00 2.28 -1.07 -1.91 -3.38 115.58 111.50 2hnb h ASN 65 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2hnb h ASN 65 Cb 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 2hnb h ASN 65 CO 0.00 0.17 -0.87 -0.11 0.07 0.00 0.00 177.43 176.70 2hnb n LEU 66 N -3.25 0.00 -0.32 6.14 7.94 -0.53 -4.29 117.00 122.69 2hnb n LEU 66 Ca 0.01 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.10 2hnb n LEU 66 Cb 0.46 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.80 2hnb n LEU 66 CO 0.33 0.00 1.06 -1.28 -1.11 0.00 0.00 177.39 176.39 2hnb h SER 67 N 0.00 0.35 -0.27 1.96 0.87 -0.95 -0.54 113.55 114.98 2hnb h SER 67 Ca 0.00 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2hnb h SER 67 Cb 0.86 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2hnb h SER 67 CO 0.00 -0.10 0.50 -0.65 -0.53 0.00 0.00 176.83 176.05 2hnb h PRO 68 N 0.32 0.00 -0.89 2.24 0.11 -1.84 -1.13 132.00 130.81 2hnb h PRO 68 Ca 0.65 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.84 2hnb h PRO 68 Cb 1.37 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.42 2hnb h PRO 68 CO -0.60 0.00 0.57 0.35 -0.21 0.00 0.00 178.00 178.11 2hnb h PHE 69 N 0.00 0.98 -0.66 0.65 3.57 -1.33 -0.51 116.94 119.65 2hnb h PHE 69 Ca 0.13 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2hnb h PHE 69 Cb 1.13 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2hnb h PHE 69 CO 0.00 0.49 0.40 -0.92 -2.23 0.00 0.00 178.31 176.05 2hnb h TYR 70 N 0.94 0.74 -0.09 0.41 3.20 -1.40 -0.66 116.97 120.11 2hnb h TYR 70 Ca 0.40 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.20 2hnb h TYR 70 Cb 0.30 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2hnb h TYR 70 CO -0.00 0.41 -0.29 0.93 -1.64 0.00 0.00 178.16 177.57 2hnb h GLU 71 N 0.77 0.36 -0.26 1.82 5.08 -1.48 -2.67 114.58 118.21 2hnb h GLU 71 Ca 0.27 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2hnb h GLU 71 Cb 0.06 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2hnb h GLU 71 CO -0.12 0.89 -0.14 0.00 -1.00 0.00 0.00 179.01 178.63 2hnb h ALA 72 N 0.48 1.27 0.65 3.43 0.00 -0.94 -0.08 119.26 124.07 2hnb h ALA 72 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2hnb h ALA 72 Cb 0.91 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2hnb h ALA 72 CO 0.06 0.48 -0.31 -0.07 0.00 0.00 0.00 179.25 179.41 2hnb h LEU 73 N 0.41 -0.74 -1.27 0.00 3.38 -1.16 -3.11 115.31 112.82 2hnb h LEU 73 Ca 0.07 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2hnb h LEU 73 Cb 0.50 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2hnb h LEU 73 CO 0.03 -0.41 -0.32 0.06 0.09 0.00 0.00 178.44 177.89 2hnb h GLN 74 N -1.06 0.00 -0.51 1.13 3.07 -1.22 0.17 115.11 116.69 2hnb h GLN 74 Ca -0.09 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.58 2hnb h GLN 74 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.25 2hnb h GLN 74 CO 0.15 0.32 0.02 1.49 0.09 0.00 0.00 178.83 180.90 2hnb h GLU 75 N 0.00 0.83 0.00 0.06 4.81 -1.08 -3.34 114.58 115.86 2hnb h GLU 75 Ca -0.00 -0.22 -0.27 0.00 -0.13 0.00 0.00 59.36 58.74 2hnb h GLU 75 Cb 0.69 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 2hnb h GLU 75 CO 0.04 0.82 -2.00 1.04 -0.73 0.00 0.00 179.01 178.18 2hnb n GLN 76 N -4.22 1.53 -3.83 1.92 6.02 -0.96 -5.04 117.38 112.79 2hnb n GLN 76 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.81 2hnb n GLN 76 Cb 0.29 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.58 -0.66 -1.04 -1.09 4.81 0.54 -4.96 118.16 113.19 2hnb n LYS 77 Ca -0.24 -0.21 -0.28 0.00 -0.87 0.00 0.00 58.31 56.70 2hnb n LYS 77 Cb 0.96 -0.65 0.20 0.00 0.02 0.00 0.00 35.03 35.56 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hnb s PRO 78 N -5.93 0.01 -0.38 1.64 0.04 -1.26 -4.97 135.00 124.14 2hnb s PRO 78 Ca 0.21 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 2hnb s PRO 78 Cb -0.12 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2hnb s PRO 78 CO 0.45 -3.02 1.44 0.34 0.04 0.00 0.00 177.00 176.25 2hnb s ASP 79 N -3.27 6.35 -0.16 6.66 2.15 -1.26 -4.74 116.67 122.38 2hnb s ASP 79 Ca 0.66 0.96 0.17 0.00 0.43 0.00 0.00 52.55 54.78 2hnb s ASP 79 Cb -0.20 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.32 2hnb s ASP 79 CO 0.59 -1.40 1.32 0.18 -0.17 0.00 0.00 175.17 175.69 2hnb n LEU 80 N 8.76 3.29 -0.47 -1.34 4.77 -0.23 -4.83 117.00 126.95 2hnb n LEU 80 Ca 0.17 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 2hnb n LEU 80 Cb 0.48 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2hnb n LEU 80 CO 0.69 0.70 0.03 -1.20 -1.33 0.00 0.00 177.39 176.28 2hnb n SER 81 N -0.89 0.10 0.00 -1.43 7.64 -1.24 -1.22 113.62 116.58 2hnb n SER 81 Ca 0.20 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2hnb n SER 81 Cb 0.80 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.38 0.48 -1.85 -0.43 0.00 -1.26 -4.84 120.51 113.00 2hnb n ALA 82 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 2hnb n ALA 82 Cb 0.03 0.00 -0.06 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 -0.02 4.26 0.07 0.00 1.01 -0.36 -3.49 120.40 121.87 2hnb s VAL 83 Ca 0.00 1.78 0.09 0.00 0.00 0.00 0.00 61.98 63.85 2hnb s VAL 83 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2hnb s VAL 83 CO 0.00 0.28 -0.23 -0.13 0.00 0.00 0.00 175.10 175.01 2hnb s ARG 84 N -1.74 1.45 0.25 2.72 1.81 -0.18 -3.02 118.95 120.23 2hnb s ARG 84 Ca 0.45 -1.11 -0.03 0.00 -1.72 0.00 0.00 55.73 53.33 2hnb s ARG 84 Cb -0.20 -1.68 -0.02 0.00 -0.45 0.00 0.00 34.95 32.59 2hnb s ARG 84 CO 0.25 0.42 0.28 -0.59 -0.68 0.00 0.00 175.30 174.98 2hnb s PHE 85 N -0.92 1.04 0.23 -0.53 -0.12 -0.66 -0.86 117.98 116.16 2hnb s PHE 85 Ca 0.10 -1.25 0.02 0.00 -0.05 0.00 0.00 56.93 55.75 2hnb s PHE 85 Cb -0.10 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 2hnb s PHE 85 CO 0.03 -0.82 0.03 0.20 -0.05 0.00 0.00 175.22 174.61 2hnb s GLY 86 N -3.16 1.58 -0.14 1.99 0.00 -0.82 -1.65 107.32 105.11 2hnb s GLY 86 Ca 0.34 -1.78 -0.10 0.00 0.00 0.00 0.00 44.72 43.18 2hnb s GLY 86 CO 0.15 -1.63 0.36 0.00 0.00 0.00 0.00 173.10 171.98 2hnb s ALA 87 N -3.56 -0.89 -0.03 3.20 0.00 -1.25 -0.88 121.76 118.35 2hnb s ALA 87 Ca 0.31 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2hnb s ALA 87 Cb 0.07 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.50 2hnb s ALA 87 CO 0.10 -0.21 0.02 0.42 0.00 0.00 0.00 175.76 176.08 2hnb s ILE 88 N 0.80 0.07 -0.44 0.00 1.01 -1.06 -2.37 121.20 119.20 2hnb s ILE 88 Ca -0.05 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 2hnb s ILE 88 Cb -0.06 -0.20 0.08 0.00 0.01 0.00 0.00 42.46 42.29 2hnb s ILE 88 CO -0.06 0.13 0.31 -0.83 0.00 0.00 0.00 174.94 174.50 2hnb s GLY 89 N 1.16 2.00 -0.07 6.18 0.00 -0.45 -2.98 107.32 113.16 2hnb s GLY 89 Ca -0.08 -2.17 -0.26 0.00 0.00 0.00 0.00 44.72 42.22 2hnb s GLY 89 CO -0.02 1.01 0.80 -0.42 0.00 0.00 0.00 173.10 174.47 2hnb s ILE 90 N 1.50 4.96 0.00 0.90 1.01 -0.73 -1.40 121.20 127.44 2hnb s ILE 90 Ca 0.03 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.34 2hnb s ILE 90 Cb -0.24 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2hnb s ILE 90 CO 0.03 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2hnb n GLY 91 N 3.13 1.38 3.54 6.18 0.00 -0.59 -0.78 105.19 118.05 2hnb n GLY 91 Ca 0.02 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 2.00 -0.61 0.44 1.61 0.01 -1.26 -1.53 113.70 114.36 2hnb s SER 92 Ca 0.00 0.72 0.31 0.00 1.31 0.00 0.00 55.95 58.29 2hnb s SER 92 Cb 0.00 0.57 1.49 0.00 0.21 0.00 0.00 66.02 68.29 2hnb s SER 92 CO 0.00 -0.53 1.92 0.08 0.41 0.00 0.00 173.24 175.12 2hnb h ARG 93 N 3.09 0.00 -0.46 12.44 0.11 -1.94 -1.82 114.38 125.79 2hnb h ARG 93 Ca -0.26 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.76 2hnb h ARG 93 Cb 1.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 2hnb h ARG 93 CO 0.35 0.00 0.02 1.49 0.10 0.00 0.00 179.97 181.92 2hnb h GLU 94 N 0.00 0.75 -7.29 0.08 4.57 -1.96 -3.44 114.58 107.29 2hnb h GLU 94 Ca 0.00 -0.19 -0.51 0.00 -1.18 0.00 0.00 59.36 57.49 2hnb h GLU 94 Cb 0.20 -0.09 0.09 0.00 -0.16 0.00 0.00 28.75 28.79 2hnb h GLU 94 CO 0.00 0.75 0.37 0.71 -1.18 0.00 0.00 179.01 179.66 2hnb s TYR 95 N -5.01 3.00 -0.06 0.92 2.02 -0.69 -4.97 117.35 112.56 2hnb s TYR 95 Ca -0.09 1.47 0.31 0.00 -0.37 0.00 0.00 57.07 58.39 2hnb s TYR 95 Cb 0.15 -2.95 1.19 0.00 -0.40 0.00 0.00 41.96 39.95 2hnb s TYR 95 CO 0.80 -1.28 1.90 0.22 -1.57 0.00 0.00 175.55 175.63 2hnb h ASP 96 N -0.40 0.00 -3.69 2.29 3.58 -1.85 -3.45 116.42 112.91 2hnb h ASP 96 Ca -0.45 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.32 2hnb h ASP 96 Cb 1.22 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.07 2hnb h ASP 96 CO 0.56 0.00 -0.70 -0.89 -2.88 0.00 0.00 179.24 175.33 2hnb s THR 97 N -3.55 3.64 -0.04 2.25 2.01 -1.26 -5.02 115.64 113.67 2hnb s THR 97 Ca 0.02 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2hnb s THR 97 Cb 0.09 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2hnb s THR 97 CO 0.54 0.59 -0.04 0.49 -0.69 0.00 0.00 174.62 175.51 2hnb n PHE 98 N 2.28 0.00 -0.78 4.92 3.01 -1.26 -4.61 117.46 121.02 2hnb n PHE 98 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2hnb n PHE 98 Cb 0.53 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hnb h GLY 100 N 0.00 0.00 0.00 0.00 0.00 -1.92 0.57 103.07 101.72 2hnb h GLY 100 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hnb h GLY 100 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 2hnb h ALA 101 N 1.88 0.00 -0.10 3.60 0.00 -1.86 -3.37 119.26 119.42 2hnb h ALA 101 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hnb h ALA 101 Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hnb h ALA 101 CO 0.00 0.06 0.02 0.97 0.00 0.00 0.00 179.25 180.30 2hnb h ILE 102 N -1.00 1.06 -0.98 0.00 6.09 -1.70 -2.34 117.51 118.64 2hnb h ILE 102 Ca -0.00 -0.20 0.20 0.00 -1.37 0.00 0.00 64.86 63.48 2hnb h ILE 102 Cb 0.11 0.96 -0.09 0.00 0.47 0.00 0.00 36.82 38.27 2hnb h ILE 102 CO -0.00 0.07 0.61 -0.78 -3.07 0.00 0.00 178.15 174.98 2hnb h ASP 103 N 0.14 0.65 -0.05 2.19 3.58 -1.06 0.08 116.42 121.95 2hnb h ASP 103 Ca 0.04 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 2hnb h ASP 103 Cb 0.07 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2hnb h ASP 103 CO -0.00 0.24 -0.13 0.11 -2.88 0.00 0.00 179.24 176.58 2hnb h LYS 104 N 0.64 0.18 -0.19 0.28 1.57 -1.57 -1.12 116.57 116.37 2hnb h LYS 104 Ca 0.55 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2hnb h LYS 104 Cb 1.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2hnb h LYS 104 CO -0.31 0.73 0.11 -0.07 -0.57 0.00 0.00 179.45 179.33 2hnb h LEU 105 N -0.33 0.17 -0.60 2.94 3.38 -1.44 -2.65 115.31 116.79 2hnb h LEU 105 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2hnb h LEU 105 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2hnb h LEU 105 CO 0.03 0.13 -0.33 1.05 0.09 0.00 0.00 178.44 179.40 2hnb h GLU 106 N 0.22 0.75 -0.57 1.13 4.11 -1.06 -3.23 114.58 115.93 2hnb h GLU 106 Ca 0.07 -0.36 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 2hnb h GLU 106 Cb -0.01 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2hnb h GLU 106 CO -0.03 0.97 0.18 0.00 0.07 0.00 0.00 179.01 180.20 2hnb h ALA 107 N 0.99 1.25 0.00 1.06 0.00 -0.85 -1.15 119.26 120.56 2hnb h ALA 107 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2hnb h ALA 107 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2hnb h ALA 107 CO 0.08 0.54 -0.50 0.93 0.00 0.00 0.00 179.25 180.30 2hnb h GLU 108 N 0.83 0.00 -0.36 0.00 4.39 -1.52 0.21 114.58 118.13 2hnb h GLU 108 Ca 0.19 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 2hnb h GLU 108 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2hnb h GLU 108 CO -0.01 0.50 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.25 2hnb h LEU 109 N 0.00 0.65 -0.54 1.33 3.38 -1.43 -1.10 115.31 117.61 2hnb h LEU 109 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2hnb h LEU 109 Cb 0.98 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2hnb h LEU 109 CO 0.06 0.82 0.31 0.50 0.09 0.00 0.00 178.44 180.22 2hnb h LYS 110 N 0.47 0.73 -0.33 1.13 3.64 -0.75 -1.42 116.57 120.05 2hnb h LYS 110 Ca 0.10 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2hnb h LYS 110 Cb 0.49 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2hnb h LYS 110 CO 0.02 0.54 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.63 2hnb h ASN 111 N 0.72 0.56 0.56 4.20 -1.24 -0.59 -1.52 115.58 118.27 2hnb h ASN 111 Ca 0.19 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2hnb h ASN 111 Cb 0.01 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2hnb h ASN 111 CO -0.03 0.73 0.00 -1.20 -1.29 0.00 0.00 177.43 175.63 2hnb n SER 112 N -4.18 0.00 0.00 1.15 7.64 -0.42 -4.90 113.62 112.92 2hnb n SER 112 Ca 0.01 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2hnb n SER 112 Cb 0.35 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.51 2.00 3.50 0.23 0.00 -0.57 -1.07 105.19 109.79 2hnb n GLY 113 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.86 -0.24 0.04 4.61 0.00 -0.62 -4.14 121.76 119.55 2hnb s ALA 114 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 2hnb s ALA 114 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2hnb s ALA 114 CO 0.00 -3.81 0.11 0.15 0.00 0.00 0.00 175.76 172.21 2hnb s LYS 115 N -4.73 0.63 1.13 0.00 1.02 -1.17 -4.13 119.74 112.49 2hnb s LYS 115 Ca 0.68 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.75 2hnb s LYS 115 Cb -0.21 0.25 0.20 0.00 -0.52 0.00 0.00 37.83 37.55 2hnb s LYS 115 CO 0.62 -0.16 0.60 1.04 -0.92 0.00 0.00 175.35 176.52 2hnb n GLN 116 N 0.66 -1.90 -2.31 1.68 1.13 -1.26 -1.66 117.38 113.73 2hnb n GLN 116 Ca -0.18 -0.52 -0.05 0.00 -1.94 0.00 0.00 57.00 54.30 2hnb n GLN 116 Cb 0.59 -1.98 0.05 0.00 0.11 0.00 0.00 30.24 29.01 2hnb n GLN 116 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2hnb n THR 117 N -4.65 1.44 0.00 5.09 -1.04 -0.66 -4.65 114.28 109.81 2hnb n THR 117 Ca 0.03 -2.97 0.00 0.00 -2.04 0.00 0.00 64.05 59.07 2hnb n THR 117 Cb 0.57 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 2hnb n THR 117 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hnb n GLY 118 N -0.50 0.98 3.83 3.41 0.00 -1.26 -4.43 105.19 107.23 2hnb n GLY 118 Ca 0.16 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.96 4.05 0.33 1.61 2.02 -1.26 -5.03 118.70 118.47 2hnb s GLU 119 Ca 0.00 0.58 -0.29 0.00 0.02 0.00 0.00 54.97 55.28 2hnb s GLU 119 Cb 0.00 -3.03 -0.12 0.00 0.10 0.00 0.00 34.13 31.09 2hnb s GLU 119 CO 0.00 0.53 1.47 2.41 0.02 0.00 0.00 175.26 179.69 2hnb n THR 120 N 1.10 1.58 -3.44 3.63 -1.04 -1.26 -4.96 114.28 109.88 2hnb n THR 120 Ca -0.07 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.22 2hnb n THR 120 Cb 0.51 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 2hnb n THR 120 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2hnb s LEU 121 N -1.11 4.21 -0.05 -4.42 2.96 -1.00 -5.01 118.68 114.26 2hnb s LEU 121 Ca 0.59 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 55.44 2hnb s LEU 121 Cb -0.52 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.61 2hnb s LEU 121 CO 0.57 -0.02 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.86 2hnb s LYS 122 N -2.61 2.51 -0.34 1.98 3.01 -1.26 -1.34 119.74 121.69 2hnb s LYS 122 Ca 0.44 -0.78 0.02 0.00 -1.01 0.00 0.00 55.97 54.64 2hnb s LYS 122 Cb -0.12 -2.29 0.10 0.00 -1.01 0.00 0.00 37.83 34.51 2hnb s LYS 122 CO 0.21 0.53 0.08 0.42 0.51 0.00 0.00 175.35 177.10 2hnb s ILE 123 N -0.50 1.78 -0.95 2.17 1.01 -0.49 -4.95 121.20 119.27 2hnb s ILE 123 Ca 0.06 -2.07 -0.23 0.00 0.00 0.00 0.00 60.65 58.41 2hnb s ILE 123 Cb -0.11 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.09 2hnb s ILE 123 CO 0.01 -0.64 1.37 0.21 0.00 0.00 0.00 174.94 175.89 2hnb s ASN 124 N 1.08 6.44 0.28 3.58 3.04 -1.26 -1.54 114.94 126.56 2hnb s ASN 124 Ca 0.11 -1.30 0.01 0.00 0.04 0.00 0.00 52.86 51.72 2hnb s ASN 124 Cb -0.19 -2.55 0.39 0.00 -1.54 0.00 0.00 41.25 37.37 2hnb s ASN 124 CO -0.13 -1.53 1.73 0.16 -3.04 0.00 0.00 177.10 174.29 2hnb h ILE 125 N 6.53 1.25 0.00 -5.21 3.07 -1.48 -3.05 117.51 118.62 2hnb h ILE 125 Ca 0.09 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 65.32 2hnb h ILE 125 Cb 1.02 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2hnb h ILE 125 CO 1.36 0.38 0.00 0.25 -1.05 0.00 0.00 178.15 179.10 2hnb h LEU 126 N 0.51 0.00 -1.24 0.16 5.85 -1.85 -1.47 115.31 117.27 2hnb h LEU 126 Ca 0.08 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2hnb h LEU 126 Cb 0.61 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 2hnb h LEU 126 CO 0.04 0.00 0.53 -0.78 -0.34 0.00 0.00 178.44 177.89 2hnb h ASP 127 N 0.00 0.84 0.00 1.25 3.58 -1.82 -3.44 116.42 116.83 2hnb h ASP 127 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2hnb h ASP 127 Cb 0.12 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2hnb h ASP 127 CO 0.00 0.57 0.00 1.57 -2.88 0.00 0.00 179.24 178.50 2hnb n HIS 128 N -4.46 -1.90 0.00 0.28 -0.00 -0.94 -4.99 115.22 103.21 2hnb n HIS 128 Ca 0.11 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2hnb n HIS 128 Cb 0.13 0.76 0.00 0.00 -0.00 0.00 0.00 29.99 30.88 2hnb n HIS 128 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hnb n ASP 129 N -2.49 0.00 -4.03 0.26 2.03 -0.60 -5.08 116.55 106.66 2hnb n ASP 129 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2hnb n ASP 129 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 2hnb n ASP 129 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2hnb s ILE 130 N -0.98 0.17 0.93 5.18 -4.36 -1.25 -4.41 121.20 116.49 2hnb s ILE 130 Ca 0.00 -1.62 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 2hnb s ILE 130 Cb 0.00 -1.56 0.15 0.00 1.25 0.00 0.00 42.46 42.30 2hnb s ILE 130 CO 0.00 -0.79 1.09 -2.16 0.24 0.00 0.00 174.94 173.32 2hnb s PRO 131 N -3.92 0.94 0.31 0.37 0.04 -1.18 -4.72 135.00 126.83 2hnb s PRO 131 Ca 0.09 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.10 2hnb s PRO 131 Cb 0.07 -1.76 0.49 0.00 0.04 0.00 0.00 34.50 33.34 2hnb s PRO 131 CO -0.08 -2.49 1.84 1.49 0.04 0.00 0.00 177.00 177.79 2hnb h GLU 132 N -1.74 0.66 -6.25 4.56 4.81 -1.96 -3.41 114.58 111.23 2hnb h GLU 132 Ca -0.50 -0.15 -0.56 0.00 -0.13 0.00 0.00 59.36 58.03 2hnb h GLU 132 Cb 1.29 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2hnb h GLU 132 CO 0.52 0.65 1.17 0.34 -0.73 0.00 0.00 179.01 180.96 2hnb s ASP 133 N -6.68 6.40 0.23 1.04 2.15 -1.26 -4.97 116.67 113.59 2hnb s ASP 133 Ca -0.08 2.04 -0.30 0.00 0.43 0.00 0.00 52.55 54.64 2hnb s ASP 133 Cb 0.15 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 40.16 2hnb s ASP 133 CO 0.78 -1.17 1.17 -2.16 -0.17 0.00 0.00 175.17 173.62 2hnb s PRO 134 N 4.57 4.54 0.60 4.34 0.04 -1.26 -4.92 135.00 142.91 2hnb s PRO 134 Ca 0.78 1.86 0.35 0.00 0.04 0.00 0.00 61.00 64.04 2hnb s PRO 134 Cb -0.32 -3.21 1.94 0.00 0.04 0.00 0.00 34.50 32.95 2hnb s PRO 134 CO 0.32 0.02 2.24 0.00 0.04 0.00 0.00 177.00 179.61 2hnb h ALA 135 N 4.64 1.21 -0.02 8.56 0.00 -1.93 -1.68 119.26 130.04 2hnb h ALA 135 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2hnb h ALA 135 Cb 1.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2hnb h ALA 135 CO 0.71 0.03 -0.17 1.49 0.00 0.00 0.00 179.25 181.32 2hnb h GLU 136 N 0.00 0.02 -0.29 0.00 4.22 -1.96 0.08 114.58 116.66 2hnb h GLU 136 Ca -0.00 -0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 2hnb h GLU 136 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2hnb h GLU 136 CO 0.00 0.19 -0.13 1.49 -2.18 0.00 0.00 179.01 178.39 2hnb h GLU 137 N 0.02 0.61 -0.68 1.92 4.57 -1.69 -1.37 114.58 117.96 2hnb h GLU 137 Ca 0.00 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 57.86 2hnb h GLU 137 Cb 0.31 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2hnb h GLU 137 CO 0.02 0.83 0.17 2.35 -1.18 0.00 0.00 179.01 181.21 2hnb h TRP 138 N 0.36 1.11 -0.08 0.92 7.01 -1.58 -2.31 115.95 121.38 2hnb h TRP 138 Ca 0.07 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 2hnb h TRP 138 Cb 0.65 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 2hnb h TRP 138 CO 0.06 0.90 -0.03 1.25 -2.79 0.00 0.00 178.44 177.83 2hnb h LEU 139 N 1.02 0.10 -0.75 0.65 5.85 -0.75 -1.40 115.31 120.04 2hnb h LEU 139 Ca 0.22 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.06 2hnb h LEU 139 Cb 0.34 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 2hnb h LEU 139 CO -0.00 0.16 0.31 1.23 -0.34 0.00 0.00 178.44 179.80 2hnb h GLY 140 N 0.35 1.13 1.14 3.75 0.00 -0.65 -0.63 103.07 108.15 2hnb h GLY 140 Ca 0.03 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2hnb h GLY 140 CO 0.01 -0.07 0.18 1.76 0.00 0.00 0.00 176.54 178.42 2hnb h SER 141 N 0.47 1.00 0.06 0.19 0.02 -1.28 -1.43 113.55 112.58 2hnb h SER 141 Ca 0.40 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2hnb h SER 141 Cb 0.58 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2hnb h SER 141 CO -0.38 0.95 -0.03 -0.50 -1.14 0.00 0.00 176.83 175.73 2hnb h TRP 142 N 1.02 -0.08 -0.04 3.45 6.55 -1.01 -0.82 115.95 125.03 2hnb h TRP 142 Ca 0.22 -0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.98 2hnb h TRP 142 Cb 0.33 0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 2hnb h TRP 142 CO 0.02 0.07 -0.32 -0.39 -1.05 0.00 0.00 178.44 176.78 2hnb h VAL 143 N -0.21 1.24 -0.16 1.49 -1.51 -1.11 0.85 116.25 116.84 2hnb h VAL 143 Ca -0.01 -1.16 -0.09 0.00 -1.23 0.00 0.00 66.70 64.21 2hnb h VAL 143 Cb 0.18 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2hnb h VAL 143 CO 0.01 0.34 -0.32 -1.13 -1.23 0.00 0.00 177.57 175.24 2hnb h ASN 144 N 0.07 0.32 0.01 4.19 -0.73 -0.99 -0.93 115.58 117.52 2hnb h ASN 144 Ca 0.01 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 2hnb h ASN 144 Cb 0.60 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 39.10 2hnb h ASN 144 CO 0.04 0.63 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.56 2hnb h LEU 145 N 0.27 0.03 -0.09 0.34 -0.00 -0.45 -3.37 115.31 112.04 2hnb h LEU 145 Ca 0.04 -0.98 -0.03 0.00 -0.00 0.00 0.00 57.88 56.91 2hnb h LEU 145 Cb 0.71 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2hnb h LEU 145 CO 0.05 1.05 -0.14 0.17 -0.00 0.00 0.00 178.44 179.57 2hnb h LEU 146 N -0.96 0.00 0.00 1.67 8.10 -0.89 -3.51 115.31 119.71 2hnb h LEU 146 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 2hnb h LEU 146 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2hnb h LEU 146 CO 0.00 0.14 0.00 0.29 -4.11 0.00 0.00 178.44 174.76