#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 1.71 0.00 -5.12 0.00 -1.26 -4.76 121.76 112.32 2hnb s ALA 2 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2hnb s ALA 2 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2hnb s ALA 2 CO 0.00 -2.46 0.00 -3.47 0.00 0.00 0.00 175.76 169.83 2hnb n ASP 3 N -3.72 1.14 -3.69 0.00 2.03 -0.45 -4.89 116.55 106.98 2hnb n ASP 3 Ca 0.12 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.15 2hnb n ASP 3 Cb 0.51 0.16 -0.12 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.92 1.56 -0.27 5.18 1.01 -0.40 -4.49 121.20 122.87 2hnb s ILE 4 Ca 0.00 -3.06 -0.29 0.00 0.00 0.00 0.00 60.65 57.30 2hnb s ILE 4 Cb 0.00 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 2hnb s ILE 4 CO 0.00 -1.01 1.30 -0.89 0.00 0.00 0.00 174.94 174.34 2hnb s THR 5 N -0.22 4.15 0.64 2.92 2.01 -1.25 -3.61 115.64 120.28 2hnb s THR 5 Ca 0.23 1.32 -0.14 0.00 0.31 0.00 0.00 61.69 63.42 2hnb s THR 5 Cb -0.12 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2hnb s THR 5 CO -0.09 -0.41 1.06 -0.76 -0.69 0.00 0.00 174.62 173.72 2hnb s LEU 6 N 4.25 3.34 -0.61 4.42 1.02 0.90 -3.23 118.68 128.78 2hnb s LEU 6 Ca 0.56 1.74 0.05 0.00 0.02 0.00 0.00 54.13 56.50 2hnb s LEU 6 Cb -0.18 -4.52 0.17 0.00 0.02 0.00 0.00 46.19 41.68 2hnb s LEU 6 CO 0.22 -1.30 0.44 -0.63 0.02 0.00 0.00 176.35 175.10 2hnb s ILE 7 N -2.69 2.08 0.65 -0.59 1.01 0.41 -1.23 121.20 120.83 2hnb s ILE 7 Ca 0.61 -3.76 -0.16 0.00 0.00 0.00 0.00 60.65 57.35 2hnb s ILE 7 Cb -0.15 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2hnb s ILE 7 CO 0.44 -1.08 1.13 -0.44 0.00 0.00 0.00 174.94 175.00 2hnb s SER 8 N -0.97 5.07 -0.29 3.58 0.01 0.23 -1.10 113.70 120.23 2hnb s SER 8 Ca 0.27 2.10 0.05 0.00 1.31 0.00 0.00 55.95 59.68 2hnb s SER 8 Cb -0.02 -2.56 0.20 0.00 0.21 0.00 0.00 66.02 63.84 2hnb s SER 8 CO -0.18 -1.66 0.57 -0.83 0.41 0.00 0.00 173.24 171.55 2hnb s GLY 9 N -2.33 -1.18 0.25 3.44 0.00 -0.72 -0.79 107.32 105.99 2hnb s GLY 9 Ca 0.69 1.00 -0.11 0.00 0.00 0.00 0.00 44.72 46.30 2hnb s GLY 9 CO 0.39 3.60 0.44 -0.45 0.00 0.00 0.00 173.10 177.08 2hnb s SER 10 N 2.80 -0.00 0.00 1.64 0.15 -1.26 -1.43 113.70 115.59 2hnb s SER 10 Ca 0.10 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2hnb s SER 10 Cb -0.10 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2hnb s SER 10 CO -0.26 -1.12 0.00 0.35 1.20 0.00 0.00 173.24 173.41 2hnb n THR 11 N -0.38 0.00 0.03 6.45 -2.24 -1.26 -4.55 114.28 112.33 2hnb n THR 11 Ca -0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2hnb n THR 11 Cb 0.62 -0.26 0.33 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.42 0.00 3.22 3.38 -2.03 -3.47 115.31 116.83 2hnb h LEU 12 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2hnb h LEU 12 Cb 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hnb h LEU 12 CO 0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 2hnb n GLY 13 N -0.93 0.31 0.16 0.83 0.00 -1.26 -4.98 105.19 99.32 2hnb n GLY 13 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.52 2.00 -0.02 0.00 -1.96 -1.95 103.07 101.67 2hnb h GLY 14 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2hnb h GLY 14 CO 0.00 0.44 -0.33 0.00 0.00 0.00 0.00 176.54 176.65 2hnb h ALA 15 N 0.70 1.14 -0.25 3.60 0.00 -1.90 -1.93 119.26 120.62 2hnb h ALA 15 Ca 0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2hnb h ALA 15 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2hnb h ALA 15 CO 0.04 0.41 -0.44 0.93 0.00 0.00 0.00 179.25 180.19 2hnb h GLU 16 N 0.00 0.63 -0.32 0.00 5.08 -1.77 0.21 114.58 118.40 2hnb h GLU 16 Ca -0.00 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2hnb h GLU 16 Cb 0.74 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2hnb h GLU 16 CO 0.04 0.94 -0.05 -0.92 -1.00 0.00 0.00 179.01 178.02 2hnb h TYR 17 N 0.51 0.67 -0.60 4.33 3.20 -0.79 -0.59 116.97 123.70 2hnb h TYR 17 Ca 0.04 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.68 2hnb h TYR 17 Cb 0.96 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2hnb h TYR 17 CO 0.04 0.76 0.03 0.28 -1.64 0.00 0.00 178.16 177.64 2hnb h VAL 18 N 0.39 1.26 -0.79 1.81 2.07 -1.33 -1.37 116.25 118.30 2hnb h VAL 18 Ca 0.09 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2hnb h VAL 18 Cb 0.53 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2hnb h VAL 18 CO 0.03 0.40 0.47 0.00 0.02 0.00 0.00 177.57 178.49 2hnb h ALA 19 N 1.08 1.00 -0.60 1.67 0.00 -0.75 0.16 119.26 121.83 2hnb h ALA 19 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2hnb h ALA 19 Cb 0.50 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2hnb h ALA 19 CO 0.02 0.47 0.23 1.49 0.00 0.00 0.00 179.25 181.47 2hnb h GLU 20 N 1.08 0.90 -0.40 0.00 4.81 -0.75 0.28 114.58 120.49 2hnb h GLU 20 Ca 0.28 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2hnb h GLU 20 Cb -0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2hnb h GLU 20 CO -0.05 0.77 0.21 1.25 -0.73 0.00 0.00 179.01 180.46 2hnb h HIS 21 N 0.83 0.57 -0.72 0.92 2.76 -0.82 -1.24 115.15 117.44 2hnb h HIS 21 Ca 0.20 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2hnb h HIS 21 Cb 0.21 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 2hnb h HIS 21 CO 0.01 0.46 0.37 -0.07 -1.30 0.00 0.00 177.93 177.40 2hnb h LEU 22 N 0.52 0.93 -1.10 0.26 3.38 -0.72 -0.67 115.31 117.91 2hnb h LEU 22 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2hnb h LEU 22 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2hnb h LEU 22 CO -0.02 0.78 0.44 0.00 0.09 0.00 0.00 178.44 179.73 2hnb h ALA 23 N 1.18 1.32 -0.54 1.53 0.00 -0.70 -0.92 119.26 121.14 2hnb h ALA 23 Ca 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2hnb h ALA 23 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2hnb h ALA 23 CO -0.04 0.57 0.00 1.49 0.00 0.00 0.00 179.25 181.27 2hnb h GLU 24 N 1.07 0.94 -0.52 0.00 4.81 -0.51 -1.30 114.58 119.07 2hnb h GLU 24 Ca 0.27 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2hnb h GLU 24 Cb 0.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2hnb h GLU 24 CO -0.05 0.96 0.17 0.87 -0.73 0.00 0.00 179.01 180.23 2hnb h LYS 25 N 0.82 0.77 -0.36 1.92 1.79 -0.47 -0.79 116.57 120.26 2hnb h LYS 25 Ca 0.15 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 58.37 2hnb h LYS 25 Cb 0.53 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2hnb h LYS 25 CO 0.03 0.66 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.70 2hnb h LEU 26 N 0.76 0.78 -0.65 2.94 3.38 -0.86 0.20 115.31 121.85 2hnb h LEU 26 Ca 0.18 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2hnb h LEU 26 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2hnb h LEU 26 CO -0.01 1.02 0.28 -0.33 0.09 0.00 0.00 178.44 179.49 2hnb h GLU 27 N 0.64 0.96 -0.51 1.13 5.08 -0.56 -0.15 114.58 121.17 2hnb h GLU 27 Ca 0.08 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2hnb h GLU 27 Cb 0.81 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2hnb h GLU 27 CO 0.07 0.79 0.03 0.93 -1.00 0.00 0.00 179.01 179.83 2hnb h GLU 28 N 0.91 0.83 0.00 2.33 5.08 -0.95 -2.32 114.58 120.46 2hnb h GLU 28 Ca 0.22 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2hnb h GLU 28 Cb 0.17 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2hnb h GLU 28 CO -0.02 0.81 -0.09 0.00 -1.00 0.00 0.00 179.01 178.71 2hnb h ALA 29 N 1.25 1.05 0.00 3.43 0.00 -0.50 -3.47 119.26 121.03 2hnb h ALA 29 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hnb h ALA 29 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hnb h ALA 29 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2hnb n GLY 30 N -0.11 1.97 3.15 0.00 0.00 -0.21 -5.07 105.19 104.92 2hnb n GLY 30 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.68 0.41 1.61 0.08 -0.37 -5.00 117.98 114.38 2hnb s PHE 31 Ca 0.00 -0.41 -0.23 0.00 0.12 0.00 0.00 56.93 56.41 2hnb s PHE 31 Cb 0.00 -1.11 -0.09 0.00 -0.57 0.00 0.00 43.02 41.25 2hnb s PHE 31 CO 0.00 -0.10 1.03 0.95 -0.10 0.00 0.00 175.22 177.00 2hnb s THR 32 N -0.17 3.84 0.21 0.64 -4.23 -1.26 -3.30 115.64 111.36 2hnb s THR 32 Ca 0.01 1.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 2hnb s THR 32 Cb -0.09 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 2hnb s THR 32 CO 0.01 -0.05 0.06 0.42 -0.54 0.00 0.00 174.62 174.52 2hnb s THR 33 N -1.75 0.53 0.12 3.99 -4.23 -1.26 -1.27 115.64 111.76 2hnb s THR 33 Ca 0.59 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 2hnb s THR 33 Cb -0.20 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2hnb s THR 33 CO 0.25 -0.20 0.33 -0.70 -0.54 0.00 0.00 174.62 173.75 2hnb s GLU 34 N -4.00 1.02 -0.54 3.99 2.56 -1.24 -4.61 118.70 115.88 2hnb s GLU 34 Ca 0.32 -0.84 0.05 0.00 0.00 0.00 0.00 54.97 54.49 2hnb s GLU 34 Cb 0.07 0.42 0.18 0.00 2.00 0.00 0.00 34.13 36.80 2hnb s GLU 34 CO 0.09 -0.38 0.44 0.25 -0.56 0.00 0.00 175.26 175.11 2hnb n THR 35 N -0.17 0.20 -2.06 -1.70 -2.24 -1.26 -0.07 114.28 106.98 2hnb n THR 35 Ca -0.15 -4.16 -0.43 0.00 -2.27 0.00 0.00 64.05 57.04 2hnb n THR 35 Cb 0.63 -1.92 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.81 3.59 -0.83 3.22 1.43 -0.37 -4.76 118.68 120.14 2hnb s LEU 36 Ca 0.30 1.31 -0.17 0.00 -1.03 0.00 0.00 54.13 54.54 2hnb s LEU 36 Cb 0.02 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.87 2hnb s LEU 36 CO -0.17 -1.59 0.93 -1.38 0.23 0.00 0.00 176.35 174.37 2hnb s HIS 37 N 6.38 3.30 -0.74 0.29 -3.43 -1.26 -0.61 115.29 119.23 2hnb s HIS 37 Ca 0.76 -1.50 -0.03 0.00 -0.80 0.00 0.00 55.06 53.50 2hnb s HIS 37 Cb -0.22 -4.08 -0.03 0.00 -1.43 0.00 0.00 32.58 26.82 2hnb s HIS 37 CO 0.33 -1.29 0.64 0.41 -2.00 0.00 0.00 174.74 172.83 2hnb n GLY 38 N 4.94 -0.36 3.31 -1.38 0.00 0.03 -4.93 105.19 106.80 2hnb n GLY 38 Ca 0.14 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 2hnb n GLY 38 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hnb n PRO 39 N -2.82 -2.76 -4.34 1.61 -0.04 -1.26 -4.71 135.00 120.68 2hnb n PRO 39 Ca -0.10 -1.67 -0.23 0.00 -0.04 0.00 0.00 63.50 61.46 2hnb n PRO 39 Cb 0.59 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 2hnb n PRO 39 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hnb s LEU 40 N 0.00 3.04 0.28 1.53 1.43 -1.26 -4.52 118.68 119.17 2hnb s LEU 40 Ca 0.67 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2hnb s LEU 40 Cb -0.06 -1.56 0.50 0.00 0.03 0.00 0.00 46.19 45.11 2hnb s LEU 40 CO 0.51 0.00 1.85 0.25 0.23 0.00 0.00 176.35 179.19 2hnb h LEU 41 N 1.97 0.97 -1.03 1.79 7.12 -1.91 -1.05 115.31 123.16 2hnb h LEU 41 Ca -0.43 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.61 2hnb h LEU 41 Cb 1.25 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2hnb h LEU 41 CO 0.60 0.55 0.00 -1.84 -0.13 0.00 0.00 178.44 177.62 2hnb n GLU 42 N -4.58 0.16 0.00 1.25 0.28 -1.26 -2.64 120.64 113.85 2hnb n GLU 42 Ca 0.18 0.53 0.13 0.00 -0.16 0.00 0.00 57.16 57.84 2hnb n GLU 42 Cb 0.30 -1.90 0.41 0.00 1.43 0.00 0.00 31.44 31.68 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 -2.22 1.30 -4.08 -1.84 2.03 -0.40 -4.91 116.55 106.43 2hnb n ASP 43 Ca 0.00 -1.18 -0.11 0.00 0.52 0.00 0.00 54.79 54.03 2hnb n ASP 43 Cb 0.13 0.09 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.29 2.36 0.71 -2.67 0.05 -1.08 -5.00 118.68 110.75 2hnb s LEU 44 Ca 0.30 -0.74 -0.11 0.00 0.05 0.00 0.00 54.13 53.62 2hnb s LEU 44 Cb 0.20 -0.02 0.02 0.00 -2.05 0.00 0.00 46.19 44.33 2hnb s LEU 44 CO 0.44 -0.36 1.08 -2.16 -0.55 0.00 0.00 176.35 174.81 2hnb s PRO 45 N -2.56 2.84 -0.01 1.48 0.04 -1.26 -4.96 135.00 130.56 2hnb s PRO 45 Ca -0.02 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.59 2hnb s PRO 45 Cb -0.03 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2hnb s PRO 45 CO -0.03 -1.07 0.63 0.00 0.04 0.00 0.00 177.00 176.56 2hnb n ALA 46 N -3.05 2.56 -3.32 8.56 0.00 -1.26 -4.74 120.51 119.27 2hnb n ALA 46 Ca 0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2hnb n ALA 46 Cb 0.56 -1.01 -0.12 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 -0.17 -0.25 0.00 0.00 0.01 -1.26 -3.14 113.70 108.89 2hnb s SER 47 Ca 0.03 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2hnb s SER 47 Cb 0.02 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2hnb s SER 47 CO 0.01 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2hnb n GLY 48 N 3.38 -0.96 2.92 3.44 0.00 -1.12 -4.87 105.19 107.98 2hnb n GLY 48 Ca -0.17 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.97 1.66 0.46 -0.61 1.09 -1.26 -1.00 121.20 119.59 2hnb s ILE 49 Ca 0.00 -1.66 0.08 0.00 -1.10 0.00 0.00 60.65 57.96 2hnb s ILE 49 Cb 0.00 -2.09 0.01 0.00 -1.06 0.00 0.00 42.46 39.32 2hnb s ILE 49 CO 0.00 -0.40 0.49 0.26 -0.10 0.00 0.00 174.94 175.19 2hnb s TRP 50 N 1.27 2.33 -0.28 3.97 0.23 -0.26 -3.80 118.94 122.39 2hnb s TRP 50 Ca 0.03 -0.57 -0.03 0.00 -2.03 0.00 0.00 56.10 53.50 2hnb s TRP 50 Cb -0.19 -2.17 0.10 0.00 0.03 0.00 0.00 33.47 31.24 2hnb s TRP 50 CO -0.11 -0.41 0.16 -1.17 0.96 0.00 0.00 176.95 176.38 2hnb s LEU 51 N -4.28 0.39 0.04 2.99 2.96 -1.20 -2.31 118.68 117.27 2hnb s LEU 51 Ca 0.49 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 2hnb s LEU 51 Cb -0.05 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 2hnb s LEU 51 CO 0.30 -0.43 1.00 -0.69 -1.32 0.00 0.00 176.35 175.21 2hnb s VAL 52 N 2.15 4.66 -0.06 1.68 1.01 -0.19 -0.45 120.40 129.20 2hnb s VAL 52 Ca 0.09 2.00 0.01 0.00 0.00 0.00 0.00 61.98 64.07 2hnb s VAL 52 Cb -0.16 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2hnb s VAL 52 CO -0.35 0.21 -0.06 -0.63 0.00 0.00 0.00 175.10 174.27 2hnb s ILE 53 N 0.67 0.67 -0.05 2.22 1.01 -0.26 -1.80 121.20 123.68 2hnb s ILE 53 Ca 0.51 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.00 2hnb s ILE 53 Cb -0.23 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.57 2hnb s ILE 53 CO 0.29 0.27 -0.04 -0.44 0.00 0.00 0.00 174.94 175.01 2hnb s SER 54 N 1.07 0.99 0.80 3.58 0.01 -0.73 -1.76 113.70 117.65 2hnb s SER 54 Ca -0.08 -0.13 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 2hnb s SER 54 Cb -0.14 -0.46 0.07 0.00 0.21 0.00 0.00 66.02 65.70 2hnb s SER 54 CO -0.01 -0.06 1.10 -0.44 0.41 0.00 0.00 173.24 174.24 2hnb s SER 55 N 0.94 4.28 -0.21 2.44 0.01 -0.52 -1.56 113.70 119.08 2hnb s SER 55 Ca -0.11 1.82 -0.02 0.00 1.31 0.00 0.00 55.95 58.95 2hnb s SER 55 Cb -0.14 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 63.66 2hnb s SER 55 CO -0.00 -2.18 0.02 -0.89 0.41 0.00 0.00 173.24 170.60 2hnb s THR 56 N -2.89 0.73 0.47 1.44 2.01 0.66 -4.15 115.64 113.91 2hnb s THR 56 Ca 0.62 -0.74 0.28 0.00 0.31 0.00 0.00 61.69 62.16 2hnb s THR 56 Cb -0.18 -1.22 0.31 0.00 0.01 0.00 0.00 72.50 71.43 2hnb s THR 56 CO 0.56 -0.23 2.13 -0.74 -0.69 0.00 0.00 174.62 175.66 2hnb h HIS 57 N 8.18 0.00 0.00 4.92 2.76 -1.73 -3.29 115.15 125.98 2hnb h HIS 57 Ca -0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 2hnb h HIS 57 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2hnb h HIS 57 CO 0.33 0.08 0.00 0.41 -1.30 0.00 0.00 177.93 177.45 2hnb n GLY 58 N -0.89 0.77 1.09 5.26 0.00 -1.26 -4.66 105.19 105.50 2hnb n GLY 58 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 3.04 -0.11 4.61 0.00 -1.26 -1.06 120.51 125.74 2hnb n ALA 59 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.59 2hnb n ALA 59 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.33 0.55 3.60 0.00 0.00 -1.26 -4.87 105.19 102.89 2hnb n GLY 60 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.00 6.04 0.36 1.61 2.15 -1.26 -4.68 116.67 117.89 2hnb s ASP 61 Ca 0.00 1.31 -0.27 0.00 0.43 0.00 0.00 52.55 54.02 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 -1.59 1.22 -0.63 -0.17 0.00 0.00 175.17 174.00 2hnb s ILE 62 N 6.38 2.99 0.30 4.11 1.01 -1.26 -2.17 121.20 132.55 2hnb s ILE 62 Ca 0.76 0.92 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 2hnb s ILE 62 Cb -0.22 -3.56 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 2hnb s ILE 62 CO 0.33 0.16 1.47 -2.16 0.00 0.00 0.00 174.94 174.74 2hnb s PRO 63 N -1.98 4.22 0.65 2.79 0.04 -1.26 -4.78 135.00 134.68 2hnb s PRO 63 Ca 0.52 2.41 0.37 0.00 0.04 0.00 0.00 61.00 64.34 2hnb s PRO 63 Cb -0.35 -3.06 2.06 0.00 0.04 0.00 0.00 34.50 33.20 2hnb s PRO 63 CO 0.45 -0.46 2.21 0.22 0.04 0.00 0.00 177.00 179.47 2hnb h ASP 64 N 4.35 0.00 -0.22 6.66 3.58 -1.94 -0.57 116.42 128.27 2hnb h ASP 64 Ca -0.48 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 56.91 2hnb h ASP 64 Cb 1.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2hnb h ASP 64 CO 0.74 0.00 -0.05 -1.13 -2.88 0.00 0.00 179.24 175.91 2hnb h ASN 65 N 0.00 0.54 0.00 2.28 -1.24 -1.90 -3.36 115.58 111.89 2hnb h ASN 65 Ca 0.01 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2hnb h ASN 65 Cb 0.24 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.15 2hnb h ASN 65 CO -0.00 0.64 -0.91 -0.11 -1.29 0.00 0.00 177.43 175.76 2hnb n LEU 66 N -4.23 0.00 -0.25 0.34 0.00 -0.62 -4.40 117.00 107.83 2hnb n LEU 66 Ca 0.01 0.00 0.22 0.00 0.00 0.00 0.00 56.01 56.25 2hnb n LEU 66 Cb 0.29 0.00 0.56 0.00 0.00 0.00 0.00 43.42 44.27 2hnb n LEU 66 CO 0.40 0.00 1.23 0.77 0.00 0.00 0.00 177.39 179.79 2hnb h SER 67 N 0.00 0.32 -0.23 1.96 4.64 -1.30 -0.48 113.55 118.45 2hnb h SER 67 Ca 0.00 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2hnb h SER 67 Cb 0.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2hnb h SER 67 CO 0.00 0.11 0.44 -0.65 -0.87 0.00 0.00 176.83 175.86 2hnb h PRO 68 N 0.31 0.00 -0.74 4.77 0.11 -1.86 -1.17 132.00 133.41 2hnb h PRO 68 Ca 0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.62 2hnb h PRO 68 Cb 1.38 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.45 2hnb h PRO 68 CO -0.16 0.00 0.49 0.35 -0.21 0.00 0.00 178.00 178.47 2hnb h PHE 69 N 0.00 0.91 -0.53 0.65 3.57 -1.31 -0.33 116.94 119.90 2hnb h PHE 69 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2hnb h PHE 69 Cb 1.00 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2hnb h PHE 69 CO 0.00 0.55 0.08 -0.92 -2.23 0.00 0.00 178.31 175.80 2hnb h TYR 70 N 0.96 0.93 0.08 0.41 3.20 -1.41 -1.88 116.97 119.26 2hnb h TYR 70 Ca 0.28 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2hnb h TYR 70 Cb -0.04 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.98 2hnb h TYR 70 CO -0.00 0.83 -0.04 0.93 -1.64 0.00 0.00 178.16 178.24 2hnb h GLU 71 N 0.76 -0.10 0.00 1.82 3.07 -1.52 -2.38 114.58 116.23 2hnb h GLU 71 Ca 0.16 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2hnb h GLU 71 Cb 0.41 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2hnb h GLU 71 CO 0.01 0.08 -0.21 0.00 -1.40 0.00 0.00 179.01 177.49 2hnb h ALA 72 N 0.63 1.57 0.41 3.43 0.00 -0.93 0.83 119.26 125.19 2hnb h ALA 72 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2hnb h ALA 72 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2hnb h ALA 72 CO 0.02 0.26 -0.20 -0.07 0.00 0.00 0.00 179.25 179.26 2hnb h LEU 73 N 0.00 -0.46 -1.14 0.00 3.38 -1.34 -3.21 115.31 112.54 2hnb h LEU 73 Ca -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2hnb h LEU 73 Cb 0.39 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2hnb h LEU 73 CO 0.03 -0.05 -0.37 0.06 0.09 0.00 0.00 178.44 178.20 2hnb h GLN 74 N -0.98 0.00 0.00 1.13 3.07 -0.85 0.16 115.11 117.63 2hnb h GLN 74 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.60 2hnb h GLN 74 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2hnb h GLN 74 CO 0.09 0.37 -0.39 0.93 0.09 0.00 0.00 178.83 179.92 2hnb h GLU 75 N 0.00 0.00 0.00 0.06 5.08 -0.99 -3.34 114.58 115.40 2hnb h GLU 75 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2hnb h GLU 75 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2hnb h GLU 75 CO 0.05 0.39 -1.62 1.04 -1.00 0.00 0.00 179.01 177.87 2hnb n GLN 76 N -3.50 1.19 -4.10 2.33 6.02 -0.94 -5.04 117.38 113.34 2hnb n GLN 76 Ca -0.00 -0.06 -0.47 0.00 -0.01 0.00 0.00 57.00 56.45 2hnb n GLN 76 Cb 0.53 -1.27 0.02 0.00 1.02 0.00 0.00 30.24 30.54 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 -2.12 -0.21 -0.94 -1.09 4.81 0.50 -4.92 118.16 114.20 2hnb n LYS 77 Ca -0.09 0.06 -0.29 0.00 -0.87 0.00 0.00 58.31 57.12 2hnb n LYS 77 Cb 0.54 -2.47 0.19 0.00 0.02 0.00 0.00 35.03 33.31 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 -7.51 0.21 -0.47 1.64 0.04 -1.26 -4.99 135.00 122.66 2hnb s PRO 78 Ca 0.49 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 2hnb s PRO 78 Cb -0.27 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.63 2hnb s PRO 78 CO 0.98 -2.94 0.51 0.34 0.04 0.00 0.00 177.00 175.92 2hnb s ASP 79 N -3.08 6.20 -0.18 6.66 2.15 -1.26 -4.55 116.67 122.61 2hnb s ASP 79 Ca 0.66 -0.96 0.15 0.00 0.43 0.00 0.00 52.55 52.83 2hnb s ASP 79 Cb -0.21 -2.24 0.37 0.00 -0.30 0.00 0.00 42.92 40.54 2hnb s ASP 79 CO 0.60 -0.73 1.22 0.18 -0.17 0.00 0.00 175.17 176.26 2hnb n LEU 80 N 5.74 2.72 -0.50 -1.34 4.77 0.10 -4.86 117.00 123.62 2hnb n LEU 80 Ca -0.08 -3.48 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 2hnb n LEU 80 Cb 0.45 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2hnb n LEU 80 CO 0.50 1.04 0.01 -1.20 -1.33 0.00 0.00 177.39 176.41 2hnb n SER 81 N -1.23 0.05 0.00 -1.43 7.64 -1.24 -1.12 113.62 116.29 2hnb n SER 81 Ca 0.19 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2hnb n SER 81 Cb 0.70 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.48 0.19 -2.00 -0.43 0.00 -1.24 -4.87 120.51 112.64 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 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 4.43 0.09 0.00 1.01 -0.28 -2.80 120.40 122.85 2hnb s VAL 83 Ca 0.00 1.55 0.09 0.00 0.00 0.00 0.00 61.98 63.61 2hnb s VAL 83 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2hnb s VAL 83 CO 0.00 0.33 -0.23 -0.13 0.00 0.00 0.00 175.10 175.07 2hnb s ARG 84 N -1.65 1.29 0.23 2.72 1.81 -0.17 -2.90 118.95 120.28 2hnb s ARG 84 Ca 0.41 -1.16 -0.04 0.00 -1.72 0.00 0.00 55.73 53.22 2hnb s ARG 84 Cb -0.20 -1.57 -0.03 0.00 -0.45 0.00 0.00 34.95 32.70 2hnb s ARG 84 CO 0.24 0.38 0.27 -0.59 -0.68 0.00 0.00 175.30 174.91 2hnb s PHE 85 N -1.04 0.96 0.20 -0.53 -0.12 -0.69 -1.10 117.98 115.66 2hnb s PHE 85 Ca 0.09 -1.20 0.06 0.00 -0.05 0.00 0.00 56.93 55.83 2hnb s PHE 85 Cb -0.10 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 2hnb s PHE 85 CO 0.04 -0.80 -0.10 0.20 -0.05 0.00 0.00 175.22 174.51 2hnb s GLY 86 N -3.14 1.41 -0.09 1.99 0.00 -0.98 -0.52 107.32 106.00 2hnb s GLY 86 Ca 0.34 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 2hnb s GLY 86 CO 0.13 -1.71 0.18 0.00 0.00 0.00 0.00 173.10 171.70 2hnb s ALA 87 N -3.14 -0.30 -0.03 3.20 0.00 -1.26 -1.02 121.76 119.21 2hnb s ALA 87 Ca 0.23 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.91 2hnb s ALA 87 Cb 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2hnb s ALA 87 CO 0.06 -0.39 -0.05 0.42 0.00 0.00 0.00 175.76 175.80 2hnb s ILE 88 N 1.79 0.52 -0.06 0.00 1.01 -0.74 -2.17 121.20 121.55 2hnb s ILE 88 Ca -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2hnb s ILE 88 Cb -0.12 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 2hnb s ILE 88 CO -0.07 0.20 -0.10 -0.83 0.00 0.00 0.00 174.94 174.14 2hnb s GLY 89 N 0.52 1.64 -0.02 6.18 0.00 -0.75 -1.78 107.32 113.11 2hnb s GLY 89 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2hnb s GLY 89 CO 0.00 -0.71 0.01 -0.42 0.00 0.00 0.00 173.10 171.98 2hnb s ILE 90 N -0.78 0.08 -2.83 0.90 1.01 -0.60 -1.24 121.20 117.73 2hnb s ILE 90 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2hnb s ILE 90 Cb -0.11 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.18 2hnb s ILE 90 CO 0.01 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2hnb n GLY 91 N 3.98 -1.25 3.10 6.18 0.00 -0.82 -0.25 105.19 116.14 2hnb n GLY 91 Ca -0.25 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 1.53 4.21 -0.20 1.61 7.64 -1.24 -1.25 113.62 125.91 2hnb n SER 92 Ca 0.00 -2.86 0.19 0.00 1.01 0.00 0.00 58.87 57.21 2hnb n SER 92 Cb 0.00 -1.68 0.54 0.00 -1.01 0.00 0.00 64.21 62.07 2hnb n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2hnb h ARG 93 N 6.79 0.33 0.00 1.43 2.43 -1.86 -0.98 114.38 122.52 2hnb h ARG 93 Ca 0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 2hnb h ARG 93 Cb 0.74 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2hnb h ARG 93 CO 1.71 0.22 -0.05 0.39 -1.51 0.00 0.00 179.97 180.73 2hnb n GLU 94 N -4.47 0.11 0.08 0.20 1.02 -1.26 -3.90 120.64 112.43 2hnb n GLU 94 Ca 0.17 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2hnb n GLU 94 Cb 0.68 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 2hnb n GLU 94 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2hnb h TYR 95 N 0.00 -0.20 0.00 -0.32 3.20 -1.42 -3.46 116.97 114.77 2hnb h TYR 95 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2hnb h TYR 95 Cb 0.60 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2hnb h TYR 95 CO 0.00 0.15 0.00 -3.47 -1.64 0.00 0.00 178.16 173.20 2hnb n ASP 96 N -5.02 0.00 -4.34 -2.11 2.03 -1.11 -5.01 116.55 100.99 2hnb n ASP 96 Ca -0.09 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.90 2hnb n ASP 96 Cb 0.23 0.30 -0.15 0.00 -0.72 0.00 0.00 41.12 40.79 2hnb n ASP 96 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2hnb s THR 97 N -1.71 2.74 -1.52 5.18 2.01 -0.22 -4.98 115.64 117.14 2hnb s THR 97 Ca 0.00 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 2hnb s THR 97 Cb 0.00 -2.11 -0.10 0.00 0.01 0.00 0.00 72.50 70.30 2hnb s THR 97 CO 0.00 0.54 2.97 0.49 -0.69 0.00 0.00 174.62 177.94 2hnb n PHE 98 N 3.35 2.26 -3.87 4.92 3.72 -1.25 -4.44 117.46 122.16 2hnb n PHE 98 Ca -0.18 -2.98 -0.31 0.00 -0.05 0.00 0.00 57.45 53.93 2hnb n PHE 98 Cb 0.53 -2.43 -0.01 0.00 -0.94 0.00 0.00 39.48 36.63 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hnb n GLY 100 N -1.33 -0.02 0.31 0.00 0.00 -1.26 -4.26 105.19 98.63 2hnb n GLY 100 Ca 0.04 -0.44 0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 4.33 1.03 0.00 4.61 0.00 -1.86 -0.77 119.26 126.60 2hnb h ALA 101 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2hnb h ALA 101 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2hnb h ALA 101 CO 0.00 0.01 -0.04 0.97 0.00 0.00 0.00 179.25 180.20 2hnb h ILE 102 N 0.00 0.85 -0.98 0.00 6.09 -1.86 -3.30 117.51 118.32 2hnb h ILE 102 Ca -0.00 -0.13 0.07 0.00 -1.37 0.00 0.00 64.86 63.43 2hnb h ILE 102 Cb 0.22 1.07 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 2hnb h ILE 102 CO 0.00 0.03 0.63 -0.78 -3.07 0.00 0.00 178.15 174.96 2hnb h ASP 103 N 0.00 1.00 -0.44 2.19 3.58 -1.48 -0.95 116.42 120.33 2hnb h ASP 103 Ca -0.00 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2hnb h ASP 103 Cb 0.07 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2hnb h ASP 103 CO 0.00 0.64 0.16 0.11 -2.88 0.00 0.00 179.24 177.27 2hnb h LYS 104 N 1.14 0.67 -0.06 0.28 1.57 -1.79 -1.33 116.57 117.05 2hnb h LYS 104 Ca 0.42 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2hnb h LYS 104 Cb 0.17 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2hnb h LYS 104 CO -0.17 0.63 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.22 2hnb h LEU 105 N 0.57 0.14 -0.70 2.94 3.38 -1.48 -2.59 115.31 117.57 2hnb h LEU 105 Ca 0.14 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 2hnb h LEU 105 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2hnb h LEU 105 CO -0.01 0.58 -0.09 1.05 0.09 0.00 0.00 178.44 180.06 2hnb h GLU 106 N -0.29 0.92 -0.55 1.13 4.11 -1.24 -2.97 114.58 115.69 2hnb h GLU 106 Ca 0.01 -0.31 -0.06 0.00 0.07 0.00 0.00 59.36 59.06 2hnb h GLU 106 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2hnb h GLU 106 CO 0.01 0.96 0.08 0.00 0.07 0.00 0.00 179.01 180.14 2hnb h ALA 107 N 1.07 1.11 0.00 1.06 0.00 -1.20 -1.77 119.26 119.53 2hnb h ALA 107 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2hnb h ALA 107 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hnb h ALA 107 CO 0.04 0.58 -0.49 0.93 0.00 0.00 0.00 179.25 180.32 2hnb h GLU 108 N 0.83 0.00 -0.43 0.00 4.39 -1.31 0.12 114.58 118.18 2hnb h GLU 108 Ca 0.17 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 2hnb h GLU 108 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2hnb h GLU 108 CO 0.01 0.49 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.27 2hnb h LEU 109 N 0.00 0.74 -0.60 1.33 3.38 -1.27 -0.58 115.31 118.31 2hnb h LEU 109 Ca -0.00 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2hnb h LEU 109 Cb 0.91 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2hnb h LEU 109 CO 0.06 0.87 0.27 0.50 0.09 0.00 0.00 178.44 180.23 2hnb h LYS 110 N 0.59 0.88 -0.91 1.13 3.64 -0.92 -1.48 116.57 119.51 2hnb h LYS 110 Ca 0.12 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2hnb h LYS 110 Cb 0.49 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 2hnb h LYS 110 CO 0.02 0.73 0.55 -0.97 -2.27 0.00 0.00 179.45 177.51 2hnb h ASN 111 N 0.83 1.09 0.30 4.20 -1.24 -0.72 -1.19 115.58 118.85 2hnb h ASN 111 Ca 0.20 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2hnb h ASN 111 Cb 0.15 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.93 2hnb h ASN 111 CO -0.02 0.83 0.00 -1.20 -1.29 0.00 0.00 177.43 175.75 2hnb n SER 112 N -4.39 0.00 0.00 1.15 7.64 -0.23 -4.87 113.62 112.92 2hnb n SER 112 Ca 0.10 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2hnb n SER 112 Cb 0.05 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.04 1.66 3.41 0.23 0.00 -0.45 -0.73 105.19 109.35 2hnb n GLY 113 Ca 0.07 0.00 -0.31 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 -2.11 -0.23 -0.05 4.61 0.00 -0.63 -4.11 121.76 119.24 2hnb s ALA 114 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 2hnb s ALA 114 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.25 2hnb s ALA 114 CO 0.00 -4.26 0.39 0.21 0.00 0.00 0.00 175.76 172.10 2hnb s LYS 115 N -5.25 0.70 0.81 0.00 2.20 -1.14 -4.20 119.74 112.86 2hnb s LYS 115 Ca 0.70 0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 56.20 2hnb s LYS 115 Cb -0.11 0.32 0.05 0.00 -1.51 0.00 0.00 37.83 36.58 2hnb s LYS 115 CO 0.57 -0.18 0.93 0.94 -0.36 0.00 0.00 175.35 177.24 2hnb n GLN 116 N 1.51 0.15 -3.78 4.03 -0.06 -1.26 -1.70 117.38 116.27 2hnb n GLN 116 Ca -0.20 0.11 -0.14 0.00 -2.00 0.00 0.00 57.00 54.78 2hnb n GLN 116 Cb 0.56 -2.21 -0.15 0.00 -4.06 0.00 0.00 30.24 24.38 2hnb n GLN 116 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2hnb s THR 117 N -2.11 -0.05 0.20 1.69 2.01 0.32 -4.75 115.64 112.96 2hnb s THR 117 Ca 0.69 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2hnb s THR 117 Cb -0.29 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2hnb s THR 117 CO 0.55 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 2hnb n GLY 118 N 3.97 -1.94 3.78 4.40 0.00 -1.26 -4.56 105.19 109.58 2hnb n GLY 118 Ca -0.24 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.12 2.66 0.86 1.61 2.02 -1.26 -5.02 118.70 117.45 2hnb s GLU 119 Ca 0.00 1.17 -0.10 0.00 0.02 0.00 0.00 54.97 56.06 2hnb s GLU 119 Cb 0.00 -1.95 0.11 0.00 0.10 0.00 0.00 34.13 32.40 2hnb s GLU 119 CO 0.00 -1.33 1.12 0.99 0.02 0.00 0.00 175.26 176.06 2hnb s THR 120 N -2.76 2.63 0.06 3.63 2.01 -1.26 -4.81 115.64 115.13 2hnb s THR 120 Ca 0.62 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.88 2hnb s THR 120 Cb -0.17 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2hnb s THR 120 CO 0.50 -0.27 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.80 2hnb s LEU 121 N -6.32 2.24 0.07 4.42 2.96 -0.92 -5.05 118.68 116.08 2hnb s LEU 121 Ca 0.64 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 2hnb s LEU 121 Cb -0.20 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2hnb s LEU 121 CO 0.57 -0.02 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.85 2hnb s LYS 122 N -1.55 1.20 -0.24 1.98 3.01 -1.26 -1.81 119.74 121.07 2hnb s LYS 122 Ca 0.01 -1.01 -0.01 0.00 -1.01 0.00 0.00 55.97 53.94 2hnb s LYS 122 Cb -0.09 -1.36 0.07 0.00 -1.01 0.00 0.00 37.83 35.44 2hnb s LYS 122 CO 0.02 0.33 0.03 0.42 0.51 0.00 0.00 175.35 176.67 2hnb s ILE 123 N -0.98 0.87 0.14 2.17 -1.09 -0.38 -4.94 121.20 117.00 2hnb s ILE 123 Ca 0.06 -0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 57.20 2hnb s ILE 123 Cb -0.09 -1.41 -0.06 0.00 -1.58 0.00 0.00 42.46 39.31 2hnb s ILE 123 CO 0.03 -0.33 1.02 0.21 -1.23 0.00 0.00 174.94 174.64 2hnb s ASN 124 N 1.67 7.40 -0.01 3.58 2.47 -1.26 -1.95 114.94 126.84 2hnb s ASN 124 Ca 0.01 1.91 0.14 0.00 0.42 0.00 0.00 52.86 55.34 2hnb s ASN 124 Cb -0.18 -2.59 -0.20 0.00 -1.45 0.00 0.00 41.25 36.83 2hnb s ASN 124 CO -0.13 -0.13 0.37 2.30 -3.72 0.00 0.00 177.10 175.79 2hnb n ILE 125 N 2.66 0.00 0.02 -5.21 -0.00 -0.38 -3.08 119.36 113.37 2hnb n ILE 125 Ca 0.03 -0.29 -0.04 0.00 -0.00 0.00 0.00 62.75 62.45 2hnb n ILE 125 Cb 0.48 0.37 0.20 0.00 -0.00 0.00 0.00 39.64 40.69 2hnb n ILE 125 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2hnb h LEU 126 N 0.00 0.47 0.03 7.28 5.85 -1.89 -0.80 115.31 126.25 2hnb h LEU 126 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2hnb h LEU 126 Cb 0.56 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2hnb h LEU 126 CO 0.00 0.74 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.05 2hnb h ASP 127 N 0.40 -0.03 -0.00 1.25 3.58 -1.90 -3.43 116.42 116.29 2hnb h ASP 127 Ca 0.06 -0.63 -0.15 0.00 0.42 0.00 0.00 57.03 56.72 2hnb h ASP 127 Cb 0.70 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 41.62 2hnb h ASP 127 CO 0.05 0.64 -0.29 1.57 -2.88 0.00 0.00 179.24 178.33 2hnb n HIS 128 N -4.78 -0.99 0.00 0.28 -0.00 -1.23 -5.01 115.22 103.48 2hnb n HIS 128 Ca -0.09 -1.09 0.00 0.00 0.46 0.00 0.00 57.72 57.00 2hnb n HIS 128 Cb 0.33 1.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.20 2hnb n HIS 128 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2hnb n ASP 129 N -0.75 0.00 -3.92 0.26 2.03 -0.31 -4.80 116.55 109.07 2hnb n ASP 129 Ca -0.23 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.00 2hnb n ASP 129 Cb 0.79 -0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.19 0.16 1.02 5.18 -4.36 -1.21 -4.29 121.20 117.51 2hnb s ILE 130 Ca 0.00 -1.34 -0.13 0.00 -0.26 0.00 0.00 60.65 58.92 2hnb s ILE 130 Cb 0.00 -1.39 0.20 0.00 1.25 0.00 0.00 42.46 42.52 2hnb s ILE 130 CO 0.00 -0.74 1.09 -2.16 0.24 0.00 0.00 174.94 173.38 2hnb s PRO 131 N -3.88 0.22 0.27 0.37 0.04 -1.18 -4.87 135.00 125.98 2hnb s PRO 131 Ca 0.06 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.54 2hnb s PRO 131 Cb 0.06 -1.72 0.38 0.00 0.04 0.00 0.00 34.50 33.25 2hnb s PRO 131 CO -0.11 -2.86 1.80 1.49 0.04 0.00 0.00 177.00 177.36 2hnb h GLU 132 N -1.98 0.81 -6.27 4.56 4.57 -1.97 -3.41 114.58 110.89 2hnb h GLU 132 Ca -0.55 -0.19 -0.56 0.00 -1.18 0.00 0.00 59.36 56.88 2hnb h GLU 132 Cb 1.33 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2hnb h GLU 132 CO 0.57 0.77 1.11 0.34 -1.18 0.00 0.00 179.01 180.61 2hnb s ASP 133 N -6.61 6.44 0.34 1.04 2.15 -1.26 -4.97 116.67 113.81 2hnb s ASP 133 Ca -0.10 1.70 -0.29 0.00 0.43 0.00 0.00 52.55 54.30 2hnb s ASP 133 Cb 0.15 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 40.13 2hnb s ASP 133 CO 0.80 -1.19 1.54 -2.84 -0.17 0.00 0.00 175.17 173.31 2hnb s PRO 134 N 4.54 4.10 0.54 4.34 0.02 -1.26 -4.90 135.00 142.38 2hnb s PRO 134 Ca 0.71 2.59 0.20 0.00 0.02 0.00 0.00 61.00 64.52 2hnb s PRO 134 Cb -0.26 -2.99 1.43 0.00 0.02 0.00 0.00 34.50 32.70 2hnb s PRO 134 CO 0.28 -0.59 2.18 0.00 -0.33 0.00 0.00 177.00 178.54 2hnb h ALA 135 N 3.74 1.88 -0.46 -1.55 0.00 -1.93 -2.26 119.26 118.67 2hnb h ALA 135 Ca -0.49 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2hnb h ALA 135 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2hnb h ALA 135 CO 0.70 -0.01 0.31 1.49 0.00 0.00 0.00 179.25 181.74 2hnb h GLU 136 N 0.00 0.46 -0.32 0.00 4.81 -1.98 -0.56 114.58 116.99 2hnb h GLU 136 Ca 0.00 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2hnb h GLU 136 Cb 0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2hnb h GLU 136 CO -0.00 0.31 -0.28 0.93 -0.73 0.00 0.00 179.01 179.23 2hnb h GLU 137 N 0.48 0.76 -0.44 1.92 4.39 -1.79 0.08 114.58 119.99 2hnb h GLU 137 Ca 0.19 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 2hnb h GLU 137 Cb 0.17 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2hnb h GLU 137 CO -0.05 1.01 0.10 2.35 -1.16 0.00 0.00 179.01 181.26 2hnb h TRP 138 N 0.53 0.74 -0.59 4.33 7.01 -1.56 -1.99 115.95 124.41 2hnb h TRP 138 Ca 0.06 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 2hnb h TRP 138 Cb 0.85 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 2hnb h TRP 138 CO 0.07 0.69 0.30 1.25 -2.79 0.00 0.00 178.44 177.96 2hnb h LEU 139 N 0.57 0.75 -0.53 0.65 7.12 -0.85 0.18 115.31 123.21 2hnb h LEU 139 Ca 0.14 -0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 2hnb h LEU 139 Cb 0.33 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.24 2hnb h LEU 139 CO 0.00 0.65 0.32 1.23 -0.13 0.00 0.00 178.44 180.52 2hnb h GLY 140 N 0.80 0.76 1.47 3.75 0.00 -0.97 -1.81 103.07 107.07 2hnb h GLY 140 Ca 0.20 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2hnb h GLY 140 CO -0.03 0.30 0.09 1.76 0.00 0.00 0.00 176.54 178.66 2hnb h SER 141 N 0.71 0.62 -0.07 0.19 0.02 -0.57 -2.02 113.55 112.43 2hnb h SER 141 Ca 0.19 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2hnb h SER 141 Cb -0.03 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 2hnb h SER 141 CO -0.04 0.63 -0.04 -0.25 -1.14 0.00 0.00 176.83 175.99 2hnb h TRP 142 N 0.65 0.17 -0.19 3.45 7.01 -0.26 -2.93 115.95 123.85 2hnb h TRP 142 Ca 0.14 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.05 2hnb h TRP 142 Cb 0.27 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2hnb h TRP 142 CO 0.01 0.55 -0.10 -0.39 -2.79 0.00 0.00 178.44 175.72 2hnb h VAL 143 N -0.25 1.18 0.00 2.65 -1.51 -1.27 -1.04 116.25 116.01 2hnb h VAL 143 Ca 0.01 -0.77 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 2hnb h VAL 143 Cb 0.51 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2hnb h VAL 143 CO 0.01 0.24 -0.02 -1.13 -1.23 0.00 0.00 177.57 175.44 2hnb h ASN 144 N 0.28 0.00 0.03 4.19 -0.73 -1.21 -0.55 115.58 117.60 2hnb h ASN 144 Ca 0.06 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 57.85 2hnb h ASN 144 Cb 0.36 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 2hnb h ASN 144 CO 0.02 0.02 -2.24 0.18 -0.37 0.00 0.00 177.43 175.05 2hnb n LEU 145 N -3.38 2.51 0.21 0.34 4.77 -0.65 -4.52 117.00 116.28 2hnb n LEU 145 Ca -0.02 0.13 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 2hnb n LEU 145 Cb 0.13 -0.94 0.42 0.00 -2.33 0.00 0.00 43.42 40.70 2hnb n LEU 145 CO 0.25 0.75 0.76 0.17 -1.33 0.00 0.00 177.39 177.98 2hnb h LEU 146 N -0.36 0.00 0.00 2.23 8.10 -1.07 -3.50 115.31 120.71 2hnb h LEU 146 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.44 2hnb h LEU 146 Cb 1.78 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.00 2hnb h LEU 146 CO -0.15 0.30 0.00 0.29 -4.11 0.00 0.00 178.44 174.76