#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 2.35 0.00 -5.12 0.00 -1.26 -4.78 121.76 112.94 2hnb s ALA 2 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2hnb s ALA 2 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2hnb s ALA 2 CO 0.00 -1.49 0.00 -3.47 0.00 0.00 0.00 175.76 170.80 2hnb n ASP 3 N -2.23 1.66 -3.63 0.00 2.03 -0.45 -4.83 116.55 109.09 2hnb n ASP 3 Ca 0.13 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.17 2hnb n ASP 3 Cb 0.50 0.24 -0.10 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.78 1.82 -2.43 5.18 5.41 -0.19 -4.05 119.36 124.33 2hnb n ILE 4 Ca 0.00 -4.97 -0.43 0.00 1.00 0.00 0.00 62.75 58.36 2hnb n ILE 4 Cb 0.09 -2.12 -0.02 0.00 -0.71 0.00 0.00 39.64 36.88 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 -1.90 4.28 0.17 1.39 2.01 -1.24 -3.86 115.64 116.49 2hnb s THR 5 Ca 0.33 1.56 -0.05 0.00 0.31 0.00 0.00 61.69 63.84 2hnb s THR 5 Cb 0.06 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 2hnb s THR 5 CO -0.09 -0.11 0.41 -0.76 -0.69 0.00 0.00 174.62 173.38 2hnb s LEU 6 N 3.26 4.23 -0.56 4.42 1.43 0.42 -3.20 118.68 128.68 2hnb s LEU 6 Ca 0.55 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 2hnb s LEU 6 Cb -0.22 -3.36 0.15 0.00 0.03 0.00 0.00 46.19 42.80 2hnb s LEU 6 CO 0.16 0.00 0.37 -0.63 0.23 0.00 0.00 176.35 176.48 2hnb s ILE 7 N -1.75 2.05 0.51 -0.59 1.01 0.35 -1.40 121.20 121.39 2hnb s ILE 7 Ca 0.42 -3.43 -0.19 0.00 0.00 0.00 0.00 60.65 57.44 2hnb s ILE 7 Cb -0.12 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 2hnb s ILE 7 CO 0.25 -0.98 1.04 -0.44 0.00 0.00 0.00 174.94 174.81 2hnb s SER 8 N -0.57 6.22 -0.30 3.58 0.01 0.24 -1.48 113.70 121.40 2hnb s SER 8 Ca 0.23 1.89 -0.11 0.00 1.31 0.00 0.00 55.95 59.28 2hnb s SER 8 Cb -0.11 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.72 2hnb s SER 8 CO -0.10 -0.87 0.77 -0.83 0.41 0.00 0.00 173.24 172.62 2hnb s GLY 9 N -2.20 -0.58 -0.02 3.44 0.00 -1.23 -1.12 107.32 105.61 2hnb s GLY 9 Ca 0.66 2.52 -0.13 0.00 0.00 0.00 0.00 44.72 47.78 2hnb s GLY 9 CO 0.24 3.20 0.28 -0.45 0.00 0.00 0.00 173.10 176.37 2hnb s SER 10 N 2.76 -0.16 0.25 1.64 0.15 -1.26 -2.58 113.70 114.49 2hnb s SER 10 Ca -0.01 0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.81 2hnb s SER 10 Cb -0.10 0.32 0.26 0.00 -1.71 0.00 0.00 66.02 64.78 2hnb s SER 10 CO -0.18 -0.40 1.55 0.71 1.20 0.00 0.00 173.24 176.12 2hnb h THR 11 N 4.01 1.48 0.00 6.45 1.35 -1.95 -3.40 112.91 120.85 2hnb h THR 11 Ca -0.30 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 2hnb h THR 11 Cb 1.18 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 2hnb h THR 11 CO 0.39 0.66 -0.85 0.00 -0.25 0.00 0.00 175.52 175.47 2hnb n LEU 12 N -3.74 0.00 0.00 3.87 -0.00 -1.26 -5.04 117.00 110.83 2hnb n LEU 12 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2hnb n LEU 12 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 2hnb n LEU 12 CO 0.43 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2hnb n GLY 13 N 2.42 0.90 0.34 1.47 0.00 -1.26 -5.04 105.19 104.01 2hnb n GLY 13 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.26 2.00 -0.02 0.00 -1.93 -0.52 103.07 103.86 2hnb h GLY 14 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2hnb h GLY 14 CO 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 176.54 176.95 2hnb h ALA 15 N 1.26 1.09 -0.02 3.60 0.00 -1.94 0.06 119.26 123.30 2hnb h ALA 15 Ca 0.30 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2hnb h ALA 15 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hnb h ALA 15 CO -0.05 0.16 -0.61 0.93 0.00 0.00 0.00 179.25 179.68 2hnb h GLU 16 N 0.00 0.45 -0.38 0.00 5.08 -1.48 -2.36 114.58 115.90 2hnb h GLU 16 Ca -0.00 -0.46 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 2hnb h GLU 16 Cb 0.53 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2hnb h GLU 16 CO 0.02 1.11 -0.22 1.88 -1.00 0.00 0.00 179.01 180.79 2hnb h TYR 17 N -0.02 0.95 -0.09 4.33 0.05 -0.83 -0.37 116.97 120.98 2hnb h TYR 17 Ca -0.07 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.46 2hnb h TYR 17 Cb 1.30 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 2hnb h TYR 17 CO 0.14 1.01 0.04 0.28 -1.05 0.00 0.00 178.16 178.57 2hnb h VAL 18 N 0.61 1.14 -0.68 -2.88 2.07 -1.13 -0.76 116.25 114.63 2hnb h VAL 18 Ca 0.08 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2hnb h VAL 18 Cb 0.78 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2hnb h VAL 18 CO 0.06 0.13 0.28 0.00 0.02 0.00 0.00 177.57 178.06 2hnb h ALA 19 N 0.88 1.21 -0.48 1.67 0.00 -1.26 -0.74 119.26 120.53 2hnb h ALA 19 Ca 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2hnb h ALA 19 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2hnb h ALA 19 CO -0.00 0.58 0.09 1.49 0.00 0.00 0.00 179.25 181.41 2hnb h GLU 20 N 0.98 0.79 -0.44 0.00 4.81 -0.90 0.14 114.58 119.97 2hnb h GLU 20 Ca 0.23 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2hnb h GLU 20 Cb 0.18 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2hnb h GLU 20 CO -0.02 0.79 0.23 1.25 -0.73 0.00 0.00 179.01 180.53 2hnb h HIS 21 N 0.67 0.61 -0.52 0.92 2.76 -0.68 -1.24 115.15 117.67 2hnb h HIS 21 Ca 0.15 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2hnb h HIS 21 Cb 0.37 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2hnb h HIS 21 CO 0.03 0.47 0.06 -0.07 -1.30 0.00 0.00 177.93 177.12 2hnb h LEU 22 N 0.57 0.84 -1.00 0.26 3.38 -1.03 -2.99 115.31 115.33 2hnb h LEU 22 Ca 0.15 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2hnb h LEU 22 Cb 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2hnb h LEU 22 CO -0.02 0.90 0.66 0.00 0.09 0.00 0.00 178.44 180.06 2hnb h ALA 23 N 0.97 1.32 -0.37 1.53 0.00 -0.39 -1.08 119.26 121.24 2hnb h ALA 23 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2hnb h ALA 23 Cb 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2hnb h ALA 23 CO 0.01 0.57 0.20 1.49 0.00 0.00 0.00 179.25 181.52 2hnb h GLU 24 N 1.28 0.40 -0.36 0.00 4.81 -1.09 0.86 114.58 120.47 2hnb h GLU 24 Ca 0.39 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.48 2hnb h GLU 24 Cb -0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2hnb h GLU 24 CO -0.12 0.26 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.94 2hnb h LYS 25 N 0.41 0.75 -0.73 1.92 3.64 -1.44 -1.44 116.57 119.68 2hnb h LYS 25 Ca 0.15 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2hnb h LYS 25 Cb 0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2hnb h LYS 25 CO -0.09 0.94 0.41 -0.07 -2.27 0.00 0.00 179.45 178.37 2hnb h LEU 26 N 0.65 0.91 -0.59 5.20 3.38 -0.68 -0.12 115.31 124.05 2hnb h LEU 26 Ca 0.08 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2hnb h LEU 26 Cb 0.78 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2hnb h LEU 26 CO 0.06 0.73 -0.19 -0.33 0.09 0.00 0.00 178.44 178.81 2hnb h GLU 27 N 1.01 0.92 -0.44 1.13 5.08 -0.62 -0.92 114.58 120.74 2hnb h GLU 27 Ca 0.26 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2hnb h GLU 27 Cb 0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2hnb h GLU 27 CO -0.04 1.03 0.02 0.93 -1.00 0.00 0.00 179.01 179.94 2hnb h GLU 28 N 0.81 0.70 0.00 2.33 4.39 -1.01 -1.92 114.58 119.87 2hnb h GLU 28 Ca 0.11 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2hnb h GLU 28 Cb 0.74 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2hnb h GLU 28 CO 0.06 0.70 -0.17 0.00 -1.16 0.00 0.00 179.01 178.44 2hnb h ALA 29 N 1.36 1.10 0.00 3.43 0.00 -0.66 -3.47 119.26 121.02 2hnb h ALA 29 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hnb h ALA 29 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2hnb h ALA 29 CO 0.01 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2hnb n GLY 30 N -0.15 0.98 3.83 0.00 0.00 -0.55 -5.08 105.19 104.23 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 -1.94 1.85 -0.02 1.61 0.08 -0.46 -4.96 117.98 114.14 2hnb s PHE 31 Ca 0.00 0.55 0.08 0.00 0.12 0.00 0.00 56.93 57.68 2hnb s PHE 31 Cb 0.00 -3.73 -0.02 0.00 -0.57 0.00 0.00 43.02 38.70 2hnb s PHE 31 CO 0.00 -2.65 -0.25 0.95 -0.10 0.00 0.00 175.22 173.17 2hnb s THR 32 N -3.54 1.96 0.22 0.64 -4.23 -1.26 -4.16 115.64 105.27 2hnb s THR 32 Ca 0.69 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2hnb s THR 32 Cb -0.09 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 2hnb s THR 32 CO 0.53 0.55 0.09 0.42 -0.54 0.00 0.00 174.62 175.68 2hnb s THR 33 N -0.58 0.38 0.06 3.99 -4.23 -1.26 -1.02 115.64 112.97 2hnb s THR 33 Ca 0.10 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.44 2hnb s THR 33 Cb -0.10 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.29 2hnb s THR 33 CO -0.01 -0.09 0.41 -0.70 -0.54 0.00 0.00 174.62 173.69 2hnb s GLU 34 N -4.06 0.94 -0.66 3.99 2.56 -1.25 -4.66 118.70 115.56 2hnb s GLU 34 Ca 0.36 -0.42 0.06 0.00 0.00 0.00 0.00 54.97 54.96 2hnb s GLU 34 Cb 0.07 0.42 0.24 0.00 2.00 0.00 0.00 34.13 36.86 2hnb s GLU 34 CO 0.11 -0.33 0.73 0.25 -0.56 0.00 0.00 175.26 175.46 2hnb n THR 35 N 0.39 2.34 -2.46 -1.70 -2.24 -1.26 -0.43 114.28 108.91 2hnb n THR 35 Ca -0.18 -5.19 -0.43 0.00 -2.27 0.00 0.00 64.05 55.98 2hnb n THR 35 Cb 0.60 -2.11 -0.02 0.00 -2.10 0.00 0.00 70.33 66.70 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 -2.34 4.10 -0.75 3.22 1.43 -0.49 -4.80 118.68 119.05 2hnb s LEU 36 Ca 0.38 1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.82 2hnb s LEU 36 Cb 0.12 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.92 2hnb s LEU 36 CO -0.03 -0.82 0.92 -2.28 0.23 0.00 0.00 176.35 174.37 2hnb s HIS 37 N 3.65 3.04 -0.06 0.29 2.46 -1.26 -0.59 115.29 122.82 2hnb s HIS 37 Ca 0.53 -1.12 -0.00 0.00 0.47 0.00 0.00 55.06 54.94 2hnb s HIS 37 Cb -0.20 -4.15 0.00 0.00 -0.13 0.00 0.00 32.58 28.10 2hnb s HIS 37 CO 0.15 -1.42 0.05 0.41 -2.47 0.00 0.00 174.74 171.47 2hnb n GLY 38 N 5.23 0.42 3.57 1.59 0.00 -0.27 -4.97 105.19 110.76 2hnb n GLY 38 Ca 0.06 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.12 -1.17 0.27 1.61 0.04 -1.26 -4.80 135.00 125.57 2hnb s PRO 39 Ca 0.00 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.15 2hnb s PRO 39 Cb -0.00 -1.59 -0.06 0.00 0.04 0.00 0.00 34.50 32.89 2hnb s PRO 39 CO 0.04 -3.71 0.05 -0.51 0.04 0.00 0.00 177.00 172.90 2hnb s LEU 40 N -6.99 2.04 0.56 -3.56 1.43 -1.26 -4.65 118.68 106.26 2hnb s LEU 40 Ca 0.70 -1.32 0.26 0.00 -1.03 0.00 0.00 54.13 52.74 2hnb s LEU 40 Cb -0.12 -0.24 1.52 0.00 0.03 0.00 0.00 46.19 47.38 2hnb s LEU 40 CO 0.57 -0.60 2.05 0.25 0.23 0.00 0.00 176.35 178.85 2hnb h LEU 41 N 2.31 0.00 -0.56 1.79 5.85 -1.91 -1.01 115.31 121.79 2hnb h LEU 41 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2hnb h LEU 41 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2hnb h LEU 41 CO 0.65 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 178.13 2hnb n GLU 42 N -4.04 0.08 -0.49 1.25 -0.58 -1.26 -2.94 120.64 112.67 2hnb n GLU 42 Ca 0.04 0.47 0.02 0.00 -0.42 0.00 0.00 57.16 57.27 2hnb n GLU 42 Cb 0.42 -1.71 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2hnb n ASP 43 N -1.88 0.38 -3.68 1.62 2.03 -0.39 -5.00 116.55 109.64 2hnb n ASP 43 Ca 0.01 -2.16 -0.29 0.00 0.52 0.00 0.00 54.79 52.86 2hnb n ASP 43 Cb 0.09 -0.24 -0.15 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.42 1.46 0.94 -2.67 1.43 -1.15 -4.90 118.68 113.36 2hnb s LEU 44 Ca 0.06 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 2hnb s LEU 44 Cb 0.06 -0.64 0.15 0.00 0.03 0.00 0.00 46.19 45.79 2hnb s LEU 44 CO -0.00 -0.39 1.12 -2.16 0.23 0.00 0.00 176.35 175.15 2hnb s PRO 45 N 1.82 0.90 0.00 1.29 0.04 -1.26 -4.85 135.00 132.95 2hnb s PRO 45 Ca 0.07 0.36 0.03 0.00 0.04 0.00 0.00 61.00 61.49 2hnb s PRO 45 Cb -0.17 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.72 2hnb s PRO 45 CO -0.24 -2.37 0.88 0.00 0.04 0.00 0.00 177.00 175.31 2hnb n ALA 46 N -3.90 2.29 -3.37 8.56 0.00 -1.26 -4.72 120.51 118.11 2hnb n ALA 46 Ca 0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 2hnb n ALA 46 Cb 0.59 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2hnb n ALA 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hnb s SER 47 N -1.31 -0.48 0.00 0.00 1.04 -1.26 -2.63 113.70 109.07 2hnb s SER 47 Ca 0.04 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2hnb s SER 47 Cb 0.02 0.90 0.00 0.00 0.10 0.00 0.00 66.02 67.04 2hnb s SER 47 CO 0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2hnb n GLY 48 N 2.63 -0.32 2.94 7.32 0.00 -1.24 -4.90 105.19 111.62 2hnb n GLY 48 Ca -0.14 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.49 1.91 0.64 -0.61 1.09 -1.26 -1.25 121.20 120.22 2hnb s ILE 49 Ca 0.00 -2.14 0.03 0.00 -1.10 0.00 0.00 60.65 57.44 2hnb s ILE 49 Cb 0.00 -2.41 0.09 0.00 -1.06 0.00 0.00 42.46 39.08 2hnb s ILE 49 CO 0.00 -0.63 0.88 0.26 -0.10 0.00 0.00 174.94 175.35 2hnb s TRP 50 N 1.04 1.82 -0.30 3.97 0.23 -0.21 -3.73 118.94 121.75 2hnb s TRP 50 Ca 0.11 -0.36 -0.03 0.00 -2.03 0.00 0.00 56.10 53.79 2hnb s TRP 50 Cb -0.19 -2.72 0.11 0.00 0.03 0.00 0.00 33.47 30.71 2hnb s TRP 50 CO -0.12 -1.35 0.16 -1.17 0.96 0.00 0.00 176.95 175.43 2hnb s LEU 51 N -4.91 0.49 -0.02 2.99 2.96 -1.19 -2.21 118.68 116.78 2hnb s LEU 51 Ca 0.63 -1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 2hnb s LEU 51 Cb -0.06 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 2hnb s LEU 51 CO 0.41 -0.42 1.00 0.68 -1.32 0.00 0.00 176.35 176.71 2hnb s VAL 52 N 2.00 4.80 0.05 1.68 -7.23 -0.45 -0.49 120.40 120.76 2hnb s VAL 52 Ca 0.10 2.02 0.06 0.00 -1.81 0.00 0.00 61.98 62.35 2hnb s VAL 52 Cb -0.17 -4.30 -0.02 0.00 0.56 0.00 0.00 36.38 32.45 2hnb s VAL 52 CO -0.32 0.12 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.80 2hnb s ILE 53 N 1.23 1.38 -0.06 -0.62 1.01 -0.55 -2.15 121.20 121.45 2hnb s ILE 53 Ca 0.52 -1.16 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2hnb s ILE 53 Cb -0.21 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2hnb s ILE 53 CO 0.26 0.05 0.19 -0.44 0.00 0.00 0.00 174.94 175.01 2hnb s SER 54 N -1.28 -0.17 -0.77 3.58 0.01 -0.86 -3.54 113.70 110.67 2hnb s SER 54 Ca 0.04 0.29 -0.19 0.00 1.31 0.00 0.00 55.95 57.39 2hnb s SER 54 Cb -0.09 0.37 0.11 0.00 0.21 0.00 0.00 66.02 66.63 2hnb s SER 54 CO 0.02 -0.13 0.96 -0.44 0.41 0.00 0.00 173.24 174.06 2hnb s SER 55 N -0.18 6.41 -1.11 2.44 0.01 -1.07 -1.29 113.70 118.92 2hnb s SER 55 Ca -0.03 -1.66 -0.23 0.00 1.31 0.00 0.00 55.95 55.35 2hnb s SER 55 Cb -0.02 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 2hnb s SER 55 CO 0.01 -1.15 1.91 -0.89 0.41 0.00 0.00 173.24 173.53 2hnb s THR 56 N 2.89 3.56 0.00 1.44 2.01 0.49 -4.24 115.64 121.78 2hnb s THR 56 Ca 0.24 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 2hnb s THR 56 Cb -0.13 -4.46 -0.11 0.00 0.01 0.00 0.00 72.50 67.81 2hnb s THR 56 CO -0.00 -1.06 2.58 0.00 -0.69 0.00 0.00 174.62 175.45 2hnb n HIS 57 N 13.80 0.00 0.00 4.92 1.44 -1.26 -4.42 115.22 129.69 2hnb n HIS 57 Ca 0.43 -1.16 0.00 0.00 -2.01 0.00 0.00 57.72 54.99 2hnb n HIS 57 Cb 0.47 -0.94 0.00 0.00 0.12 0.00 0.00 29.99 29.64 2hnb n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hnb n GLY 58 N 1.94 2.39 0.27 -1.39 0.00 -1.26 -4.77 105.19 102.37 2hnb n GLY 58 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 2hnb n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 59 N 0.00 1.05 -0.22 4.61 0.00 -1.90 -3.43 119.26 119.37 2hnb h ALA 59 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2hnb h ALA 59 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2hnb h ALA 59 CO 0.00 0.09 -0.08 0.41 0.00 0.00 0.00 179.25 179.67 2hnb n GLY 60 N -0.17 0.70 3.22 0.00 0.00 -1.26 -5.04 105.19 102.64 2hnb n GLY 60 Ca -0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.95 1.80 0.20 1.61 2.15 -1.26 -4.74 116.67 113.49 2hnb s ASP 61 Ca 0.00 -0.83 -0.08 0.00 0.43 0.00 0.00 52.55 52.07 2hnb s ASP 61 Cb 0.00 -0.04 -0.07 0.00 -0.30 0.00 0.00 42.92 42.52 2hnb s ASP 61 CO 0.00 -0.20 0.49 0.27 -0.17 0.00 0.00 175.17 175.56 2hnb s ILE 62 N -2.36 5.01 0.31 4.11 -4.36 -1.26 -4.41 121.20 118.24 2hnb s ILE 62 Ca 0.09 0.32 -0.28 0.00 -0.26 0.00 0.00 60.65 60.51 2hnb s ILE 62 Cb -0.03 -3.62 -0.13 0.00 1.25 0.00 0.00 42.46 39.92 2hnb s ILE 62 CO 0.02 -0.04 1.21 -2.65 0.24 0.00 0.00 174.94 173.72 2hnb n PRO 63 N -0.08 1.85 0.29 0.37 -0.02 -1.26 -4.54 135.00 131.61 2hnb n PRO 63 Ca -0.00 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.31 2hnb n PRO 63 Cb 0.52 -2.17 0.98 0.00 -0.02 0.00 0.00 33.50 32.81 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 2.58 0.00 1.41 2.55 3.58 -1.96 0.72 116.42 125.31 2hnb h ASP 64 Ca -0.44 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 2hnb h ASP 64 Cb 1.30 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 2hnb h ASP 64 CO 0.64 0.00 -0.11 -0.55 -2.88 0.00 0.00 179.24 176.33 2hnb h ASN 65 N 0.00 0.00 0.00 2.28 -1.07 -1.89 -3.38 115.58 111.52 2hnb h ASN 65 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 2hnb h ASN 65 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 2hnb h ASN 65 CO -0.00 0.11 -0.66 -0.11 0.07 0.00 0.00 177.43 176.84 2hnb n LEU 66 N -3.18 0.00 -0.03 6.14 7.94 -0.35 -4.32 117.00 123.20 2hnb n LEU 66 Ca 0.02 0.00 0.22 0.00 -1.11 0.00 0.00 56.01 55.14 2hnb n LEU 66 Cb 0.47 0.00 0.70 0.00 0.53 0.00 0.00 43.42 45.12 2hnb n LEU 66 CO 0.33 0.00 1.20 0.77 -1.11 0.00 0.00 177.39 178.58 2hnb h SER 67 N 0.00 0.00 -0.26 1.96 4.64 -1.10 -0.20 113.55 118.60 2hnb h SER 67 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2hnb h SER 67 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2hnb h SER 67 CO 0.00 0.00 0.44 -0.65 -0.87 0.00 0.00 176.83 175.75 2hnb h PRO 68 N 0.00 0.00 -0.72 4.77 0.11 -1.85 -1.28 132.00 133.03 2hnb h PRO 68 Ca 0.29 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 2hnb h PRO 68 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2hnb h PRO 68 CO -0.00 0.00 0.18 0.35 -0.21 0.00 0.00 178.00 178.32 2hnb h PHE 69 N 0.00 1.20 -0.78 0.65 3.57 -1.29 0.32 116.94 120.61 2hnb h PHE 69 Ca 0.12 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2hnb h PHE 69 Cb 1.00 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2hnb h PHE 69 CO 0.00 0.97 0.48 -0.92 -2.23 0.00 0.00 178.31 176.61 2hnb h TYR 70 N 1.09 1.03 -0.13 0.41 3.20 -1.41 -0.59 116.97 120.57 2hnb h TYR 70 Ca 0.23 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 2hnb h TYR 70 Cb 0.37 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2hnb h TYR 70 CO 0.03 0.68 -0.00 0.93 -1.64 0.00 0.00 178.16 178.16 2hnb h GLU 71 N 1.07 0.23 -0.61 1.82 4.39 -1.45 -2.51 114.58 117.52 2hnb h GLU 71 Ca 0.28 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 2hnb h GLU 71 Cb -0.05 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2hnb h GLU 71 CO -0.05 0.47 0.13 0.00 -1.16 0.00 0.00 179.01 178.39 2hnb h ALA 72 N 0.75 0.81 0.07 3.43 0.00 -0.70 -0.51 119.26 123.10 2hnb h ALA 72 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2hnb h ALA 72 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hnb h ALA 72 CO 0.01 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.69 2hnb h LEU 73 N 0.91 -0.08 -1.01 0.00 3.38 -1.14 -1.25 115.31 116.11 2hnb h LEU 73 Ca 0.19 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2hnb h LEU 73 Cb 0.39 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2hnb h LEU 73 CO 0.01 0.07 -0.47 0.06 0.09 0.00 0.00 178.44 178.19 2hnb h GLN 74 N -0.23 0.00 0.03 1.13 3.07 -1.30 0.79 115.11 118.59 2hnb h GLN 74 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 2hnb h GLN 74 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2hnb h GLN 74 CO 0.02 0.47 -0.01 1.49 0.09 0.00 0.00 178.83 180.89 2hnb h GLU 75 N 0.00 -0.03 0.00 0.06 4.57 -0.99 -3.32 114.58 114.86 2hnb h GLU 75 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2hnb h GLU 75 Cb 0.88 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2hnb h GLU 75 CO 0.06 0.41 -0.68 1.96 -1.18 0.00 0.00 179.01 179.58 2hnb h GLN 76 N -0.49 0.00 -6.96 1.92 4.20 -1.15 -3.49 115.11 109.14 2hnb h GLN 76 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2hnb h GLN 76 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2hnb h GLN 76 CO 0.01 0.24 -0.95 1.17 -0.67 0.00 0.00 178.83 178.62 2hnb n LYS 77 N -3.01 -0.42 -0.93 1.46 4.81 0.26 -4.93 118.16 115.40 2hnb n LYS 77 Ca -0.00 0.10 -0.29 0.00 -0.87 0.00 0.00 58.31 57.25 2hnb n LYS 77 Cb 0.67 -2.15 0.20 0.00 0.02 0.00 0.00 35.03 33.78 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 -6.96 -0.08 -0.51 1.64 0.04 -1.26 -4.99 135.00 122.87 2hnb s PRO 78 Ca 0.40 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 2hnb s PRO 78 Cb -0.22 -1.67 0.07 0.00 0.04 0.00 0.00 34.50 32.73 2hnb s PRO 78 CO 0.89 -3.11 0.55 0.34 0.04 0.00 0.00 177.00 175.71 2hnb s ASP 79 N -3.10 6.19 -0.19 6.66 2.15 -1.26 -4.52 116.67 122.60 2hnb s ASP 79 Ca 0.66 -1.19 0.13 0.00 0.43 0.00 0.00 52.55 52.59 2hnb s ASP 79 Cb -0.21 -2.25 0.40 0.00 -0.30 0.00 0.00 42.92 40.56 2hnb s ASP 79 CO 0.60 -0.84 1.24 0.18 -0.17 0.00 0.00 175.17 176.18 2hnb n LEU 80 N 5.80 2.81 -0.28 -1.34 4.77 0.11 -4.72 117.00 124.15 2hnb n LEU 80 Ca -0.10 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.27 2hnb n LEU 80 Cb 0.44 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2hnb n LEU 80 CO 0.52 1.16 0.00 -1.20 -1.33 0.00 0.00 177.39 176.54 2hnb n SER 81 N -1.19 0.00 0.00 -1.43 7.64 -1.21 -1.22 113.62 116.21 2hnb n SER 81 Ca 0.20 -0.01 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 0.06 0.61 -1.76 -0.43 0.00 -1.20 -4.83 120.51 112.97 2hnb n ALA 82 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 2hnb n ALA 82 Cb 0.00 0.00 -0.05 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 3.83 0.21 0.00 1.01 -0.36 -3.61 120.40 121.48 2hnb s VAL 83 Ca 0.00 1.82 0.10 0.00 0.00 0.00 0.00 61.98 63.90 2hnb s VAL 83 Cb 0.00 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2hnb s VAL 83 CO 0.00 0.42 -0.19 -0.13 0.00 0.00 0.00 175.10 175.19 2hnb s ARG 84 N -1.35 1.46 0.34 2.72 1.81 -0.38 -2.49 118.95 121.05 2hnb s ARG 84 Ca 0.43 -1.57 -0.11 0.00 -1.72 0.00 0.00 55.73 52.76 2hnb s ARG 84 Cb -0.28 -1.54 0.02 0.00 -0.45 0.00 0.00 34.95 32.70 2hnb s ARG 84 CO 0.35 0.30 0.61 -0.59 -0.68 0.00 0.00 175.30 175.30 2hnb s PHE 85 N -2.25 0.48 0.22 -0.53 -0.12 -1.07 -1.05 117.98 113.65 2hnb s PHE 85 Ca 0.22 -0.92 0.06 0.00 -0.05 0.00 0.00 56.93 56.24 2hnb s PHE 85 Cb -0.05 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 2hnb s PHE 85 CO 0.10 -1.28 -0.08 0.20 -0.05 0.00 0.00 175.22 174.11 2hnb s GLY 86 N -3.11 1.50 -0.04 1.99 0.00 -0.94 -0.53 107.32 106.19 2hnb s GLY 86 Ca 0.22 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.21 2hnb s GLY 86 CO 0.14 -1.72 0.06 0.00 0.00 0.00 0.00 173.10 171.58 2hnb s ALA 87 N -3.17 0.06 -0.05 3.20 0.00 -1.26 -1.34 121.76 119.21 2hnb s ALA 87 Ca 0.25 0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.55 2hnb s ALA 87 Cb 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2hnb s ALA 87 CO 0.07 -0.25 -0.01 0.42 0.00 0.00 0.00 175.76 175.99 2hnb s ILE 88 N 1.47 0.34 0.10 0.00 1.01 -0.91 -1.89 121.20 121.32 2hnb s ILE 88 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2hnb s ILE 88 Cb -0.12 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2hnb s ILE 88 CO -0.04 0.21 0.23 -0.83 0.00 0.00 0.00 174.94 174.51 2hnb s GLY 89 N 1.34 1.96 -0.01 6.18 0.00 -0.29 -2.02 107.32 114.47 2hnb s GLY 89 Ca -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.74 2hnb s GLY 89 CO -0.02 -0.94 -0.06 -0.42 0.00 0.00 0.00 173.10 171.66 2hnb s ILE 90 N -1.61 0.52 -1.00 0.90 1.01 -0.41 -1.86 121.20 118.75 2hnb s ILE 90 Ca 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2hnb s ILE 90 Cb -0.12 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2hnb s ILE 90 CO 0.28 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2hnb n GLY 91 N 3.14 -0.71 3.01 6.18 0.00 -0.80 -0.38 105.19 115.63 2hnb n GLY 91 Ca -0.16 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.00 1.98 0.00 1.61 0.01 -1.25 -0.97 113.70 111.08 2hnb s SER 92 Ca 0.00 -0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.05 2hnb s SER 92 Cb 0.00 -0.88 0.56 0.00 0.21 0.00 0.00 66.02 65.91 2hnb s SER 92 CO 0.00 0.00 1.28 -1.14 0.41 0.00 0.00 173.24 173.80 2hnb n ARG 93 N 4.10 0.13 -0.09 12.44 0.63 -1.26 -2.72 116.66 129.89 2hnb n ARG 93 Ca -0.20 0.20 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 2hnb n ARG 93 Cb 0.51 -1.50 0.54 0.00 0.45 0.00 0.00 32.46 32.46 2hnb n ARG 93 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2hnb h GLU 94 N 0.00 0.32 -6.42 -0.14 4.22 -1.98 -3.43 114.58 107.15 2hnb h GLU 94 Ca 0.00 -0.02 -0.62 0.00 0.08 0.00 0.00 59.36 58.80 2hnb h GLU 94 Cb 0.12 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.16 2hnb h GLU 94 CO 0.00 0.21 -0.74 1.52 -2.18 0.00 0.00 179.01 177.82 2hnb s TYR 95 N -5.32 2.51 0.34 0.92 -0.85 -1.10 -5.05 117.35 108.80 2hnb s TYR 95 Ca -0.07 -0.27 0.04 0.00 -0.52 0.00 0.00 57.07 56.25 2hnb s TYR 95 Cb 0.20 -1.20 0.62 0.00 0.38 0.00 0.00 41.96 41.97 2hnb s TYR 95 CO 0.75 0.55 1.89 0.22 -1.52 0.00 0.00 175.55 177.44 2hnb h ASP 96 N 2.74 0.49 0.00 -0.18 3.58 -1.87 -2.74 116.42 118.45 2hnb h ASP 96 Ca -0.45 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 56.91 2hnb h ASP 96 Cb 1.22 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2hnb h ASP 96 CO 0.54 0.55 0.00 0.41 -2.88 0.00 0.00 179.24 177.86 2hnb n THR 97 N -4.30 1.27 -0.19 2.25 -1.04 -1.26 -4.62 114.28 106.39 2hnb n THR 97 Ca 0.02 -0.28 -0.01 0.00 -2.04 0.00 0.00 64.05 61.73 2hnb n THR 97 Cb 0.23 -1.26 0.07 0.00 -1.82 0.00 0.00 70.33 67.55 2hnb n THR 97 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2hnb h PHE 98 N 1.64 -0.20 -2.63 -1.42 3.57 -1.67 -3.38 116.94 112.84 2hnb h PHE 98 Ca 0.00 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 2hnb h PHE 98 Cb 0.70 0.18 -0.25 0.00 2.79 0.00 0.00 35.95 39.38 2hnb h PHE 98 CO 0.25 -0.21 -0.23 0.00 -2.23 0.00 0.00 178.31 175.89 2hnb n GLY 100 N 3.52 0.13 0.25 0.00 0.00 -1.26 -4.99 105.19 102.84 2hnb n GLY 100 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.64 4.61 0.00 -1.89 -0.77 119.26 121.58 2hnb h ALA 101 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2hnb h ALA 101 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2hnb h ALA 101 CO 0.00 0.00 0.42 0.97 0.00 0.00 0.00 179.25 180.64 2hnb h ILE 102 N 0.00 0.91 -0.38 0.00 -0.00 -1.91 -2.78 117.51 113.35 2hnb h ILE 102 Ca 0.00 -0.16 0.05 0.00 -0.00 0.00 0.00 64.86 64.75 2hnb h ILE 102 Cb 0.28 0.39 -0.02 0.00 -0.00 0.00 0.00 36.82 37.48 2hnb h ILE 102 CO 0.00 0.09 0.26 -0.78 -0.00 0.00 0.00 178.15 177.71 2hnb h ASP 103 N 0.47 0.26 -0.40 2.19 3.58 -1.55 -0.82 116.42 120.14 2hnb h ASP 103 Ca 0.29 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2hnb h ASP 103 Cb 0.52 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2hnb h ASP 103 CO -0.09 0.18 0.21 0.11 -2.88 0.00 0.00 179.24 176.77 2hnb h LYS 104 N 0.30 0.57 0.32 0.28 1.57 -1.68 0.82 116.57 118.75 2hnb h LYS 104 Ca 0.16 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2hnb h LYS 104 Cb 0.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2hnb h LYS 104 CO -0.04 0.48 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.11 2hnb h LEU 105 N 0.52 -0.36 -0.68 2.94 3.38 -1.31 -3.06 115.31 116.74 2hnb h LEU 105 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2hnb h LEU 105 Cb 0.09 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2hnb h LEU 105 CO -0.02 -0.25 -0.62 1.05 0.09 0.00 0.00 178.44 178.70 2hnb h GLU 106 N -0.44 0.16 -0.60 1.13 4.11 -1.33 -2.71 114.58 114.90 2hnb h GLU 106 Ca -0.04 -0.11 0.02 0.00 0.07 0.00 0.00 59.36 59.29 2hnb h GLU 106 Cb 0.34 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2hnb h GLU 106 CO 0.07 0.73 0.38 0.00 0.07 0.00 0.00 179.01 180.26 2hnb h ALA 107 N 1.24 0.78 0.00 1.06 0.00 -0.81 -0.15 119.26 121.38 2hnb h ALA 107 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2hnb h ALA 107 Cb 1.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2hnb h ALA 107 CO 0.09 0.14 -0.59 0.93 0.00 0.00 0.00 179.25 179.82 2hnb h GLU 108 N 0.76 0.00 -0.39 0.00 4.39 -1.42 0.28 114.58 118.20 2hnb h GLU 108 Ca 0.23 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2hnb h GLU 108 Cb -0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2hnb h GLU 108 CO -0.08 0.59 0.14 -0.07 -1.16 0.00 0.00 179.01 178.43 2hnb h LEU 109 N 0.00 0.55 -0.63 1.33 3.38 -1.10 -0.55 115.31 118.30 2hnb h LEU 109 Ca -0.01 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2hnb h LEU 109 Cb 1.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2hnb h LEU 109 CO 0.08 0.59 -0.01 0.11 0.09 0.00 0.00 178.44 179.29 2hnb h LYS 110 N 0.48 1.06 -0.93 1.13 1.57 -0.76 -0.41 116.57 118.72 2hnb h LYS 110 Ca 0.13 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2hnb h LYS 110 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2hnb h LYS 110 CO -0.01 1.04 0.55 -0.97 -0.57 0.00 0.00 179.45 179.49 2hnb h ASN 111 N 0.96 1.12 0.68 0.86 -1.24 -0.87 -0.88 115.58 116.22 2hnb h ASN 111 Ca 0.17 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2hnb h ASN 111 Cb 0.57 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2hnb h ASN 111 CO 0.03 0.87 0.00 -1.20 -1.29 0.00 0.00 177.43 175.84 2hnb n SER 112 N -4.36 0.61 0.00 1.15 7.64 -0.22 -4.88 113.62 113.56 2hnb n SER 112 Ca 0.10 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2hnb n SER 112 Cb 0.07 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.05 1.37 3.52 0.23 0.00 -0.34 -0.71 105.19 109.20 2hnb n GLY 113 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.34 -0.05 -0.04 4.61 0.00 -0.29 -4.22 121.76 120.42 2hnb s ALA 114 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 2hnb s ALA 114 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2hnb s ALA 114 CO 0.00 -3.72 0.19 0.15 0.00 0.00 0.00 175.76 172.38 2hnb s LYS 115 N -4.84 0.35 0.77 0.00 1.02 -1.04 -4.14 119.74 111.85 2hnb s LYS 115 Ca 0.68 0.01 -0.15 0.00 0.02 0.00 0.00 55.97 56.54 2hnb s LYS 115 Cb -0.19 0.16 0.04 0.00 -0.52 0.00 0.00 37.83 37.32 2hnb s LYS 115 CO 0.60 -0.07 1.09 0.94 -0.92 0.00 0.00 175.35 176.99 2hnb n GLN 116 N 2.33 0.38 -3.85 1.68 -0.06 -1.26 -2.61 117.38 113.99 2hnb n GLN 116 Ca -0.17 0.20 -0.14 0.00 -2.00 0.00 0.00 57.00 54.89 2hnb n GLN 116 Cb 0.57 -2.34 -0.15 0.00 -4.06 0.00 0.00 30.24 24.26 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 -1.94 0.02 0.10 1.69 2.01 0.31 -4.78 115.64 113.06 2hnb s THR 117 Ca 0.74 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2hnb s THR 117 Cb -0.32 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2hnb s THR 117 CO 0.50 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2hnb n GLY 118 N 3.73 -1.68 3.83 4.40 0.00 -1.26 -4.43 105.19 109.77 2hnb n GLY 118 Ca -0.21 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.68 2.36 0.88 1.61 0.41 -1.26 -4.99 118.70 116.03 2hnb s GLU 119 Ca 0.00 0.62 -0.11 0.00 -0.41 0.00 0.00 54.97 55.07 2hnb s GLU 119 Cb 0.00 -1.95 0.12 0.00 -1.78 0.00 0.00 34.13 30.52 2hnb s GLU 119 CO 0.00 -1.43 1.09 0.99 -0.49 0.00 0.00 175.26 175.43 2hnb s THR 120 N -3.20 2.73 0.06 3.63 2.01 -1.26 -4.67 115.64 114.94 2hnb s THR 120 Ca 0.60 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.89 2hnb s THR 120 Cb -0.13 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 2hnb s THR 120 CO 0.54 -0.31 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.79 2hnb s LEU 121 N -6.21 2.22 0.00 4.42 2.96 -0.79 -5.02 118.68 116.26 2hnb s LEU 121 Ca 0.63 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 2hnb s LEU 121 Cb -0.18 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 2hnb s LEU 121 CO 0.57 -0.00 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.84 2hnb s LYS 122 N -1.42 2.11 -0.16 1.98 3.01 -1.26 -1.14 119.74 122.86 2hnb s LYS 122 Ca 0.01 -0.94 -0.04 0.00 -1.01 0.00 0.00 55.97 53.99 2hnb s LYS 122 Cb -0.09 -2.13 0.06 0.00 -1.01 0.00 0.00 37.83 34.66 2hnb s LYS 122 CO 0.02 0.56 0.08 0.42 0.51 0.00 0.00 175.35 176.93 2hnb s ILE 123 N -0.75 0.04 -0.00 2.17 1.01 -0.78 -4.96 121.20 117.94 2hnb s ILE 123 Ca 0.12 -0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 2hnb s ILE 123 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2hnb s ILE 123 CO 0.01 -0.22 0.85 0.21 0.00 0.00 0.00 174.94 175.79 2hnb s ASN 124 N 2.08 7.23 -0.04 3.58 2.47 -1.26 -1.90 114.94 127.12 2hnb s ASN 124 Ca 0.02 1.49 0.05 0.00 0.42 0.00 0.00 52.86 54.84 2hnb s ASN 124 Cb -0.16 -2.50 0.08 0.00 -1.45 0.00 0.00 41.25 37.22 2hnb s ASN 124 CO -0.08 -0.15 0.93 2.30 -3.72 0.00 0.00 177.10 176.38 2hnb n ILE 125 N 3.57 0.85 -0.19 -5.21 -6.64 -0.15 -2.05 119.36 109.55 2hnb n ILE 125 Ca 0.02 -0.96 -0.01 0.00 -1.77 0.00 0.00 62.75 60.04 2hnb n ILE 125 Cb 0.51 0.41 0.10 0.00 -1.44 0.00 0.00 39.64 39.21 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 0.12 0.00 7.28 5.85 -1.93 -3.44 115.31 123.18 2hnb h LEU 126 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2hnb h LEU 126 Cb 0.90 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2hnb h LEU 126 CO 0.00 0.08 0.00 -0.67 -0.34 0.00 0.00 178.44 177.51 2hnb n ASP 127 N -5.05 -0.87 -4.56 1.25 2.03 -1.26 -5.04 116.55 103.04 2hnb n ASP 127 Ca 0.08 0.22 -0.40 0.00 0.52 0.00 0.00 54.79 55.21 2hnb n ASP 127 Cb 0.27 1.10 -0.03 0.00 -0.72 0.00 0.00 41.12 41.75 2hnb n ASP 127 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2hnb s HIS 128 N -2.00 2.02 -0.92 -0.67 3.76 -1.26 -4.91 115.29 111.31 2hnb s HIS 128 Ca 0.00 0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 55.16 2hnb s HIS 128 Cb 0.00 -4.33 -0.12 0.00 1.11 0.00 0.00 32.58 29.24 2hnb s HIS 128 CO 0.00 -2.18 1.96 -3.47 -0.85 0.00 0.00 174.74 170.21 2hnb n ASP 129 N 10.78 2.82 -2.25 1.40 2.03 -1.26 -4.27 116.55 125.80 2hnb n ASP 129 Ca 0.13 -2.71 -0.06 0.00 0.52 0.00 0.00 54.79 52.67 2hnb n ASP 129 Cb 0.50 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 2hnb n ASP 129 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hnb n ILE 130 N 6.08 -0.71 0.26 5.18 3.06 -0.87 -4.81 119.36 127.54 2hnb n ILE 130 Ca 0.49 0.00 0.16 0.00 -2.50 0.00 0.00 62.75 60.91 2hnb n ILE 130 Cb 0.41 -0.64 0.77 0.00 0.54 0.00 0.00 39.64 40.72 2hnb n ILE 130 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 2hnb h PRO 131 N 0.61 0.00 0.00 9.51 0.11 -1.92 0.46 132.00 140.76 2hnb h PRO 131 Ca -0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2hnb h PRO 131 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 2hnb h PRO 131 CO 0.06 0.00 -0.02 1.49 -0.21 0.00 0.00 178.00 179.33 2hnb h GLU 132 N 0.00 0.00 -6.87 1.05 4.81 -1.99 -3.47 114.58 108.10 2hnb h GLU 132 Ca 0.06 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.71 2hnb h GLU 132 Cb 0.84 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 2hnb h GLU 132 CO -0.00 0.02 -1.00 -3.47 -0.73 0.00 0.00 179.01 173.83 2hnb n ASP 133 N -3.42 -3.39 0.09 1.04 2.03 0.15 -4.88 116.55 108.18 2hnb n ASP 133 Ca -0.03 -1.26 0.10 0.00 0.52 0.00 0.00 54.79 54.13 2hnb n ASP 133 Cb 0.12 -1.89 0.43 0.00 -0.72 0.00 0.00 41.12 39.06 2hnb n ASP 133 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2hnb n PRO 134 N -4.88 0.13 -0.15 -0.67 -0.04 -1.26 -3.41 135.00 124.71 2hnb n PRO 134 Ca -0.15 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2hnb n PRO 134 Cb 0.59 -1.77 0.48 0.00 -0.04 0.00 0.00 33.50 32.76 2hnb n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hnb h ALA 135 N 2.31 2.02 -0.09 0.55 0.00 -1.95 0.09 119.26 122.18 2hnb h ALA 135 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hnb h ALA 135 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2hnb h ALA 135 CO 0.00 -0.19 0.05 0.93 0.00 0.00 0.00 179.25 180.04 2hnb h GLU 136 N 0.48 0.11 0.17 0.00 4.39 -1.95 -0.38 114.58 117.39 2hnb h GLU 136 Ca 0.34 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.74 2hnb h GLU 136 Cb 0.69 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2hnb h GLU 136 CO -0.11 0.09 -1.31 0.93 -1.16 0.00 0.00 179.01 177.45 2hnb h GLU 137 N 0.10 0.37 -0.20 2.33 4.39 -1.64 -2.23 114.58 117.70 2hnb h GLU 137 Ca 0.03 -0.62 0.01 0.00 0.34 0.00 0.00 59.36 59.13 2hnb h GLU 137 Cb 0.00 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2hnb h GLU 137 CO -0.01 1.29 0.09 2.35 -1.16 0.00 0.00 179.01 181.58 2hnb h TRP 138 N 0.11 0.17 -0.52 4.33 7.01 -0.99 -0.76 115.95 125.30 2hnb h TRP 138 Ca -0.17 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.72 2hnb h TRP 138 Cb 2.03 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 29.02 2hnb h TRP 138 CO 0.09 0.10 -0.15 1.25 -2.79 0.00 0.00 178.44 176.93 2hnb h LEU 139 N 0.20 1.02 -0.60 0.65 5.85 -1.07 0.12 115.31 121.48 2hnb h LEU 139 Ca 0.08 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2hnb h LEU 139 Cb 0.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2hnb h LEU 139 CO -0.06 1.15 0.32 1.23 -0.34 0.00 0.00 178.44 180.74 2hnb h GLY 140 N 0.92 0.87 1.06 3.75 0.00 -1.24 -0.64 103.07 107.79 2hnb h GLY 140 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2hnb h GLY 140 CO 0.06 0.14 0.08 1.76 0.00 0.00 0.00 176.54 178.57 2hnb h SER 141 N 0.61 1.02 -0.02 0.19 0.02 -0.67 -2.20 113.55 112.51 2hnb h SER 141 Ca 0.27 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hnb h SER 141 Cb 0.17 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2hnb h SER 141 CO -0.17 1.04 0.01 -0.25 -1.14 0.00 0.00 176.83 176.31 2hnb h TRP 142 N 0.97 0.03 -0.32 3.45 7.01 -0.08 -2.12 115.95 124.89 2hnb h TRP 142 Ca 0.19 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 2hnb h TRP 142 Cb 0.46 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 2hnb h TRP 142 CO 0.03 0.21 -0.08 -0.39 -2.79 0.00 0.00 178.44 175.43 2hnb h VAL 143 N -0.17 1.22 -0.15 2.65 -1.51 -1.15 0.12 116.25 117.27 2hnb h VAL 143 Ca 0.01 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.51 2hnb h VAL 143 Cb 0.20 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2hnb h VAL 143 CO -0.00 0.31 0.01 -1.13 -1.23 0.00 0.00 177.57 175.54 2hnb h ASN 144 N 0.49 0.18 0.06 4.19 -0.73 -1.08 -0.44 115.58 118.25 2hnb h ASN 144 Ca 0.10 -0.02 -0.22 0.00 1.87 0.00 0.00 56.30 58.03 2hnb h ASN 144 Cb 0.44 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 2hnb h ASN 144 CO 0.02 0.22 -1.13 -0.07 -0.37 0.00 0.00 177.43 176.10 2hnb h LEU 145 N 0.21 0.20 -1.02 0.34 3.38 -0.72 -3.38 115.31 114.31 2hnb h LEU 145 Ca 0.05 -0.77 -0.06 0.00 0.09 0.00 0.00 57.88 57.19 2hnb h LEU 145 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2hnb h LEU 145 CO 0.00 1.48 -0.26 0.17 0.09 0.00 0.00 178.44 179.92 2hnb h LEU 146 N -0.63 0.00 0.00 1.67 8.10 -0.88 -3.51 115.31 120.06 2hnb h LEU 146 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.72 2hnb h LEU 146 Cb 1.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.71 2hnb h LEU 146 CO -0.04 0.26 0.00 0.29 -4.11 0.00 0.00 178.44 174.85