#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 1.90 0.00 -5.12 0.00 -1.26 -4.77 121.76 112.51 2hnb s ALA 2 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2hnb s ALA 2 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2hnb s ALA 2 CO 0.00 -2.20 0.00 -3.47 0.00 0.00 0.00 175.76 170.09 2hnb n ASP 3 N -3.65 0.89 -3.73 0.00 2.03 -0.33 -4.87 116.55 106.89 2hnb n ASP 3 Ca 0.11 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.14 2hnb n ASP 3 Cb 0.52 0.12 -0.11 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.59 0.87 -2.36 5.18 5.41 -0.10 -4.27 119.36 123.50 2hnb n ILE 4 Ca 0.00 -4.49 -0.43 0.00 1.00 0.00 0.00 62.75 58.83 2hnb n ILE 4 Cb 0.06 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 36.93 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 -1.11 4.13 0.44 1.39 2.01 -1.25 -3.69 115.64 117.56 2hnb s THR 5 Ca 0.28 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.48 2hnb s THR 5 Cb -0.01 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 2hnb s THR 5 CO -0.17 -0.27 0.84 -0.76 -0.69 0.00 0.00 174.62 173.57 2hnb s LEU 6 N 4.03 3.76 -0.53 4.42 1.43 0.81 -3.44 118.68 129.15 2hnb s LEU 6 Ca 0.58 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 2hnb s LEU 6 Cb -0.21 -4.17 0.15 0.00 0.03 0.00 0.00 46.19 41.99 2hnb s LEU 6 CO 0.20 -0.47 0.34 -0.63 0.23 0.00 0.00 176.35 176.02 2hnb s ILE 7 N -2.47 1.94 0.58 -0.59 1.01 0.58 -1.00 121.20 121.25 2hnb s ILE 7 Ca 0.53 -3.26 -0.18 0.00 0.00 0.00 0.00 60.65 57.75 2hnb s ILE 7 Cb -0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2hnb s ILE 7 CO 0.32 -0.96 1.10 -0.44 0.00 0.00 0.00 174.94 174.95 2hnb s SER 8 N -0.39 5.65 -0.29 3.58 0.01 0.24 -1.09 113.70 121.41 2hnb s SER 8 Ca 0.22 2.03 0.03 0.00 1.31 0.00 0.00 55.95 59.54 2hnb s SER 8 Cb -0.14 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.72 2hnb s SER 8 CO -0.08 -1.26 0.58 -0.83 0.41 0.00 0.00 173.24 172.06 2hnb s GLY 9 N -2.21 -1.11 0.20 3.44 0.00 -0.49 -1.05 107.32 106.11 2hnb s GLY 9 Ca 0.69 1.34 -0.09 0.00 0.00 0.00 0.00 44.72 46.66 2hnb s GLY 9 CO 0.32 3.51 0.32 -0.45 0.00 0.00 0.00 173.10 176.80 2hnb s SER 10 N 2.82 0.02 0.00 1.64 0.15 -1.26 -1.37 113.70 115.69 2hnb s SER 10 Ca 0.14 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2hnb s SER 10 Cb -0.12 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2hnb s SER 10 CO -0.24 -0.97 0.00 0.35 1.20 0.00 0.00 173.24 173.58 2hnb n THR 11 N -0.29 0.00 0.19 6.45 -2.24 -1.26 -4.37 114.28 112.75 2hnb n THR 11 Ca -0.03 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.79 2hnb n THR 11 Cb 0.63 -0.13 0.44 0.00 -2.10 0.00 0.00 70.33 69.18 2hnb n THR 11 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2hnb h LEU 12 N 0.00 0.07 0.00 3.22 8.10 -1.96 -3.47 115.31 121.27 2hnb h LEU 12 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2hnb h LEU 12 Cb 0.01 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 2hnb h LEU 12 CO 0.00 0.27 0.00 0.61 -4.11 0.00 0.00 178.44 175.21 2hnb n GLY 13 N -0.88 1.55 0.16 0.17 0.00 -1.26 -5.06 105.19 99.87 2hnb n GLY 13 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.44 -0.36 0.23 -0.02 0.00 -1.26 -4.47 105.19 98.86 2hnb n GLY 14 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.35 1.23 -0.63 4.61 0.00 -1.93 -0.96 119.26 121.23 2hnb h ALA 15 Ca -0.57 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 2hnb h ALA 15 Cb 1.72 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2hnb h ALA 15 CO -0.20 0.30 0.21 1.05 0.00 0.00 0.00 179.25 180.60 2hnb h GLU 16 N 0.00 0.95 0.01 0.00 4.11 -1.90 0.38 114.58 118.12 2hnb h GLU 16 Ca -0.00 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2hnb h GLU 16 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2hnb h GLU 16 CO 0.03 0.81 -0.00 -0.92 0.07 0.00 0.00 179.01 179.00 2hnb h TYR 17 N 0.92 -0.01 -0.35 2.06 3.20 -1.60 -3.24 116.97 117.96 2hnb h TYR 17 Ca 0.21 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2hnb h TYR 17 Cb 0.25 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2hnb h TYR 17 CO 0.02 0.78 0.17 0.28 -1.64 0.00 0.00 178.16 177.76 2hnb h VAL 18 N -0.81 0.96 -0.77 1.81 2.07 -1.09 -0.24 116.25 118.18 2hnb h VAL 18 Ca -0.00 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2hnb h VAL 18 Cb 0.79 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2hnb h VAL 18 CO 0.00 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.03 2hnb h ALA 19 N 1.19 0.99 -0.45 1.67 0.00 -1.07 0.42 119.26 122.02 2hnb h ALA 19 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2hnb h ALA 19 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2hnb h ALA 19 CO -0.12 0.55 -0.04 1.49 0.00 0.00 0.00 179.25 181.14 2hnb h GLU 20 N 1.09 0.82 -0.55 0.00 4.81 -1.47 0.11 114.58 119.39 2hnb h GLU 20 Ca 0.27 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2hnb h GLU 20 Cb 0.11 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2hnb h GLU 20 CO -0.03 0.90 0.21 1.25 -0.73 0.00 0.00 179.01 180.60 2hnb h HIS 21 N 0.66 0.84 -0.45 0.92 2.76 -0.56 -1.51 115.15 117.81 2hnb h HIS 21 Ca 0.12 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 2hnb h HIS 21 Cb 0.55 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2hnb h HIS 21 CO 0.04 0.69 0.02 -0.07 -1.30 0.00 0.00 177.93 177.31 2hnb h LEU 22 N 0.74 0.76 -1.29 0.26 3.38 -0.85 -3.07 115.31 115.24 2hnb h LEU 22 Ca 0.18 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2hnb h LEU 22 Cb 0.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2hnb h LEU 22 CO -0.01 0.86 0.49 0.00 0.09 0.00 0.00 178.44 179.88 2hnb h ALA 23 N 0.92 1.53 -0.59 1.53 0.00 -0.63 -1.68 119.26 120.35 2hnb h ALA 23 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2hnb h ALA 23 Cb 0.46 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2hnb h ALA 23 CO 0.02 0.40 0.11 1.49 0.00 0.00 0.00 179.25 181.27 2hnb h GLU 24 N 0.94 0.23 -0.44 0.00 4.81 -1.18 -0.15 114.58 118.78 2hnb h GLU 24 Ca 0.29 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2hnb h GLU 24 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2hnb h GLU 24 CO -0.08 0.15 -0.25 0.87 -0.73 0.00 0.00 179.01 178.98 2hnb h LYS 25 N 0.23 0.93 -0.62 1.92 1.79 -1.38 -1.78 116.57 117.66 2hnb h LYS 25 Ca 0.31 -0.41 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 2hnb h LYS 25 Cb 0.46 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 2hnb h LYS 25 CO -0.41 1.07 0.06 -0.07 -1.08 0.00 0.00 179.45 179.02 2hnb h LEU 26 N 0.80 1.03 -0.59 2.94 3.38 -0.96 -0.05 115.31 121.85 2hnb h LEU 26 Ca 0.10 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2hnb h LEU 26 Cb 0.81 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2hnb h LEU 26 CO 0.07 1.05 -0.01 -0.33 0.09 0.00 0.00 178.44 179.32 2hnb h GLU 27 N 0.97 1.05 -0.44 1.13 5.08 -0.87 -0.95 114.58 120.55 2hnb h GLU 27 Ca 0.18 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2hnb h GLU 27 Cb 0.49 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2hnb h GLU 27 CO 0.02 1.04 -0.02 0.93 -1.00 0.00 0.00 179.01 179.98 2hnb h GLU 28 N 0.95 0.73 0.00 2.33 5.08 -1.07 -2.22 114.58 120.38 2hnb h GLU 28 Ca 0.17 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2hnb h GLU 28 Cb 0.57 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2hnb h GLU 28 CO 0.03 0.75 -0.12 0.00 -1.00 0.00 0.00 179.01 178.68 2hnb h ALA 29 N 1.30 1.11 0.00 3.43 0.00 -0.66 -3.47 119.26 120.97 2hnb h ALA 29 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hnb h ALA 29 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hnb h ALA 29 CO 0.02 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2hnb n GLY 30 N -0.28 0.92 3.78 0.00 0.00 -0.62 -5.08 105.19 103.91 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 1.62 0.06 1.61 0.08 -0.46 -4.97 117.98 113.92 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 -3.65 -0.03 0.00 -0.57 0.00 0.00 43.02 38.77 2hnb s PHE 31 CO 0.00 -2.90 -0.24 0.95 -0.10 0.00 0.00 175.22 172.93 2hnb s THR 32 N -3.40 1.91 0.23 0.64 -4.23 -1.26 -4.13 115.64 105.40 2hnb s THR 32 Ca 0.69 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 2hnb s THR 32 Cb -0.10 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 2hnb s THR 32 CO 0.54 0.23 0.02 0.42 -0.54 0.00 0.00 174.62 175.29 2hnb s THR 33 N -0.86 0.87 0.11 3.99 -4.23 -1.26 -0.92 115.64 113.33 2hnb s THR 33 Ca 0.10 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 2hnb s THR 33 Cb -0.09 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.41 2hnb s THR 33 CO 0.03 -0.29 0.37 -0.70 -0.54 0.00 0.00 174.62 173.48 2hnb s GLU 34 N -3.91 1.01 -0.59 3.99 2.12 -1.24 -4.67 118.70 115.42 2hnb s GLU 34 Ca 0.29 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 54.96 2hnb s GLU 34 Cb 0.06 0.44 0.17 0.00 0.26 0.00 0.00 34.13 35.06 2hnb s GLU 34 CO 0.09 -0.38 0.43 0.95 -0.54 0.00 0.00 175.26 175.81 2hnb s THR 35 N -3.66 1.87 -0.37 -1.70 -4.23 -1.26 -0.14 115.64 106.16 2hnb s THR 35 Ca 0.02 -3.63 -0.29 0.00 -1.18 0.00 0.00 61.69 56.62 2hnb s THR 35 Cb 0.02 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2hnb s THR 35 CO -0.11 -1.10 1.50 -0.76 -0.54 0.00 0.00 174.62 173.61 2hnb s LEU 36 N -0.85 3.61 -0.55 4.79 1.43 -0.17 -4.80 118.68 122.14 2hnb s LEU 36 Ca 0.28 1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 54.14 2hnb s LEU 36 Cb -0.01 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.71 2hnb s LEU 36 CO -0.18 -1.45 1.00 -1.00 0.23 0.00 0.00 176.35 174.95 2hnb s HIS 37 N 5.63 2.76 -1.17 0.29 3.76 -1.26 -0.59 115.29 124.70 2hnb s HIS 37 Ca 0.65 0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 55.67 2hnb s HIS 37 Cb -0.17 -4.16 -0.02 0.00 1.11 0.00 0.00 32.58 29.35 2hnb s HIS 37 CO 0.32 -1.38 0.97 0.41 -0.85 0.00 0.00 174.74 174.21 2hnb n GLY 38 N 5.09 -0.54 3.54 -2.22 0.00 -0.21 -4.98 105.19 105.87 2hnb n GLY 38 Ca 0.04 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.17 -1.75 0.27 1.61 0.04 -1.26 -4.81 135.00 123.93 2hnb s PRO 39 Ca 0.10 -0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.04 2hnb s PRO 39 Cb -0.01 -1.54 -0.06 0.00 0.04 0.00 0.00 34.50 32.93 2hnb s PRO 39 CO 0.74 -4.04 0.04 -0.51 0.04 0.00 0.00 177.00 173.26 2hnb s LEU 40 N -7.15 2.08 0.38 -3.56 1.43 -1.26 -4.60 118.68 106.00 2hnb s LEU 40 Ca 0.71 -1.31 0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2hnb s LEU 40 Cb -0.09 -0.27 0.89 0.00 0.03 0.00 0.00 46.19 46.75 2hnb s LEU 40 CO 0.56 -0.58 1.90 0.25 0.23 0.00 0.00 176.35 178.71 2hnb h LEU 41 N 2.31 0.56 0.00 1.79 7.12 -1.89 -0.68 115.31 124.52 2hnb h LEU 41 Ca -0.39 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.64 2hnb h LEU 41 Cb 1.24 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 2hnb h LEU 41 CO 0.66 0.30 0.00 -1.84 -0.13 0.00 0.00 178.44 177.43 2hnb n GLU 42 N -4.52 0.06 -0.25 1.25 0.28 -1.26 -1.98 120.64 114.22 2hnb n GLU 42 Ca 0.15 0.28 0.05 0.00 -0.16 0.00 0.00 57.16 57.48 2hnb n GLU 42 Cb 0.45 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.88 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2hnb n ASP 43 N -1.35 1.22 -3.72 -1.84 2.03 -0.27 -5.00 116.55 107.63 2hnb n ASP 43 Ca 0.02 -2.48 -0.26 0.00 0.52 0.00 0.00 54.79 52.59 2hnb n ASP 43 Cb 0.05 -0.29 -0.17 0.00 -0.72 0.00 0.00 41.12 39.99 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hnb s LEU 44 N -1.43 0.91 0.78 -2.67 1.43 -0.84 -4.88 118.68 111.99 2hnb s LEU 44 Ca 0.15 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2hnb s LEU 44 Cb 0.13 -0.50 0.06 0.00 0.03 0.00 0.00 46.19 45.92 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 1.93 2.19 0.00 1.29 0.04 -1.26 -4.88 135.00 134.31 2hnb s PRO 45 Ca 0.01 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2hnb s PRO 45 Cb -0.16 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2hnb s PRO 45 CO -0.08 -1.65 0.78 0.00 0.04 0.00 0.00 177.00 176.10 2hnb n ALA 46 N -3.51 2.42 -3.71 8.56 0.00 -1.26 -4.71 120.51 118.31 2hnb n ALA 46 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 2hnb n ALA 46 Cb 0.54 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.74 -0.28 0.00 0.00 0.01 -1.26 -2.75 113.70 108.68 2hnb s SER 47 Ca 0.00 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2hnb s SER 47 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2hnb s SER 47 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2hnb n GLY 48 N 4.21 -0.97 2.84 3.44 0.00 -1.13 -4.89 105.19 108.70 2hnb n GLY 48 Ca -0.25 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.91 1.46 0.49 -0.61 1.09 -1.26 -0.80 121.20 119.66 2hnb s ILE 49 Ca 0.00 -1.85 0.09 0.00 -1.10 0.00 0.00 60.65 57.79 2hnb s ILE 49 Cb 0.00 -2.08 0.04 0.00 -1.06 0.00 0.00 42.46 39.36 2hnb s ILE 49 CO 0.00 -0.66 0.65 0.26 -0.10 0.00 0.00 174.94 175.09 2hnb s TRP 50 N 1.25 2.16 -0.19 3.97 0.23 0.04 -3.84 118.94 122.56 2hnb s TRP 50 Ca 0.11 -0.56 -0.04 0.00 -2.03 0.00 0.00 56.10 53.58 2hnb s TRP 50 Cb -0.18 -2.28 0.08 0.00 0.03 0.00 0.00 33.47 31.11 2hnb s TRP 50 CO -0.17 -0.73 0.17 -1.17 0.96 0.00 0.00 176.95 176.01 2hnb s LEU 51 N -4.48 0.05 0.10 2.99 2.96 -1.22 -2.35 118.68 116.73 2hnb s LEU 51 Ca 0.57 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.87 2hnb s LEU 51 Cb -0.08 0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.71 2hnb s LEU 51 CO 0.35 -0.33 0.78 0.68 -1.32 0.00 0.00 176.35 176.51 2hnb s VAL 52 N 2.26 4.57 -0.12 1.68 -7.23 -0.09 -0.31 120.40 121.17 2hnb s VAL 52 Ca 0.05 1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 61.91 2hnb s VAL 52 Cb -0.16 -4.14 0.03 0.00 0.56 0.00 0.00 36.38 32.67 2hnb s VAL 52 CO -0.11 0.42 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.41 2hnb s ILE 53 N -0.48 0.97 -0.08 -0.62 1.09 -0.25 -1.58 121.20 120.25 2hnb s ILE 53 Ca 0.38 -0.28 0.05 0.00 -1.10 0.00 0.00 60.65 59.70 2hnb s ILE 53 Cb -0.22 -1.02 -0.00 0.00 -1.06 0.00 0.00 42.46 40.16 2hnb s ILE 53 CO 0.25 0.33 -0.24 -0.44 -0.10 0.00 0.00 174.94 174.74 2hnb s SER 54 N 1.73 3.02 -0.42 3.58 0.01 -0.29 -1.40 113.70 119.93 2hnb s SER 54 Ca 0.05 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.73 2hnb s SER 54 Cb -0.13 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2hnb s SER 54 CO -0.08 0.20 2.98 -1.20 0.41 0.00 0.00 173.24 175.55 2hnb n SER 55 N 3.24 6.31 -4.54 2.44 7.64 -0.47 -1.04 113.62 127.21 2hnb n SER 55 Ca -0.18 -3.00 -0.37 0.00 1.01 0.00 0.00 58.87 56.33 2hnb n SER 55 Cb 0.52 -1.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.36 2hnb n SER 55 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hnb n THR 56 N 1.43 -0.06 -1.82 0.44 -1.04 -1.00 -4.37 114.28 107.86 2hnb n THR 56 Ca 0.49 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 2hnb n THR 56 Cb 0.62 -2.12 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 2hnb n THR 56 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2hnb s HIS 57 N 11.31 2.97 -1.54 -1.42 3.76 0.00 -1.39 115.29 128.98 2hnb s HIS 57 Ca 1.09 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.48 2hnb s HIS 57 Cb -0.49 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.16 2hnb s HIS 57 CO 0.32 -3.92 0.00 0.41 -0.85 0.00 0.00 174.74 170.71 2hnb n GLY 58 N 3.83 1.36 3.14 -2.22 0.00 -1.26 -0.75 105.19 109.30 2hnb n GLY 58 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 2hnb n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb n ALA 59 N 0.62 -1.00 -1.47 4.61 0.00 -0.49 -1.45 120.51 121.33 2hnb n ALA 59 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2hnb n ALA 59 Cb 0.48 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 -1.09 1.00 2.84 0.00 0.00 0.07 -1.17 105.19 106.84 2hnb n GLY 60 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.85 0.34 1.61 2.15 -0.55 -4.71 116.67 116.36 2hnb s ASP 61 Ca 0.00 0.25 -0.28 0.00 0.43 0.00 0.00 52.55 52.95 2hnb s ASP 61 Cb 0.00 0.33 -0.10 0.00 -0.30 0.00 0.00 42.92 42.86 2hnb s ASP 61 CO 0.00 -0.26 1.26 -0.63 -0.17 0.00 0.00 175.17 175.37 2hnb s ILE 62 N 2.31 2.88 0.33 4.11 1.01 -1.26 -0.82 121.20 129.76 2hnb s ILE 62 Ca 0.03 0.85 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 2hnb s ILE 62 Cb -0.13 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 2hnb s ILE 62 CO -0.07 0.18 1.40 -2.16 0.00 0.00 0.00 174.94 174.29 2hnb s PRO 63 N -1.85 4.25 0.65 2.79 0.04 -1.26 -4.77 135.00 134.84 2hnb s PRO 63 Ca 0.50 2.37 0.43 0.00 0.04 0.00 0.00 61.00 64.34 2hnb s PRO 63 Cb -0.37 -3.04 2.36 0.00 0.04 0.00 0.00 34.50 33.49 2hnb s PRO 63 CO 0.49 -0.36 2.33 0.22 0.04 0.00 0.00 177.00 179.72 2hnb h ASP 64 N 3.57 0.00 0.41 6.66 3.58 -1.94 -0.74 116.42 127.95 2hnb h ASP 64 Ca -0.49 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.83 2hnb h ASP 64 Cb 1.23 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2hnb h ASP 64 CO 0.67 0.00 -0.54 -1.13 -2.88 0.00 0.00 179.24 175.37 2hnb h ASN 65 N 0.00 0.16 0.00 2.28 -1.24 -1.91 -3.37 115.58 111.50 2hnb h ASN 65 Ca 0.00 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 2hnb h ASN 65 Cb 0.01 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 2hnb h ASN 65 CO 0.00 0.67 -1.11 -0.11 -1.29 0.00 0.00 177.43 175.59 2hnb n LEU 66 N -3.91 0.00 -0.32 0.34 7.94 -0.79 -4.30 117.00 115.96 2hnb n LEU 66 Ca -0.02 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.07 2hnb n LEU 66 Cb 0.56 0.02 0.38 0.00 0.53 0.00 0.00 43.42 44.92 2hnb n LEU 66 CO 0.43 0.02 1.03 -1.28 -1.11 0.00 0.00 177.39 176.48 2hnb h SER 67 N 0.00 0.25 -0.57 1.96 0.87 -1.32 -0.92 113.55 113.83 2hnb h SER 67 Ca -0.03 0.20 0.16 0.00 -1.23 0.00 0.00 61.79 60.89 2hnb h SER 67 Cb 0.61 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2hnb h SER 67 CO 0.00 -0.15 0.62 -0.65 -0.53 0.00 0.00 176.83 176.12 2hnb h PRO 68 N 0.26 0.00 -0.60 2.24 0.11 -1.85 -1.88 132.00 130.29 2hnb h PRO 68 Ca 0.65 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.77 2hnb h PRO 68 Cb 1.40 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 2hnb h PRO 68 CO -0.64 0.00 0.40 0.35 -0.21 0.00 0.00 178.00 177.90 2hnb h PHE 69 N 0.00 0.73 -0.95 0.65 3.57 -1.41 -1.42 116.94 118.11 2hnb h PHE 69 Ca 0.27 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.83 2hnb h PHE 69 Cb 1.51 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 2hnb h PHE 69 CO 0.00 0.45 0.61 -0.92 -2.23 0.00 0.00 178.31 176.23 2hnb h TYR 70 N 0.78 1.15 -0.06 0.41 3.20 -1.54 -1.25 116.97 119.67 2hnb h TYR 70 Ca 0.22 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2hnb h TYR 70 Cb -0.05 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.84 2hnb h TYR 70 CO -0.00 0.64 -0.15 0.93 -1.64 0.00 0.00 178.16 177.94 2hnb h GLU 71 N 1.17 0.20 -0.43 1.82 5.08 -1.43 -1.98 114.58 119.01 2hnb h GLU 71 Ca 0.39 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2hnb h GLU 71 Cb 0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2hnb h GLU 71 CO -0.13 0.76 0.02 0.00 -1.00 0.00 0.00 179.01 178.65 2hnb h ALA 72 N 0.44 1.23 0.18 3.43 0.00 -1.27 -0.56 119.26 122.71 2hnb h ALA 72 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2hnb h ALA 72 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hnb h ALA 72 CO 0.03 0.51 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 2hnb h LEU 73 N 0.65 -0.20 -1.24 0.00 3.38 -1.25 -2.99 115.31 113.67 2hnb h LEU 73 Ca 0.14 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2hnb h LEU 73 Cb 0.37 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2hnb h LEU 73 CO 0.01 0.12 -0.27 0.06 0.09 0.00 0.00 178.44 178.45 2hnb h GLN 74 N -0.54 0.00 -0.40 1.13 3.07 -1.12 0.21 115.11 117.46 2hnb h GLN 74 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.61 2hnb h GLN 74 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.95 2hnb h GLN 74 CO 0.04 0.27 -0.18 1.49 0.09 0.00 0.00 178.83 180.54 2hnb h GLU 75 N 0.00 0.76 0.00 0.06 4.57 -1.13 -3.36 114.58 115.47 2hnb h GLU 75 Ca -0.00 -0.28 -0.21 0.00 -1.18 0.00 0.00 59.36 57.69 2hnb h GLU 75 Cb 0.71 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2hnb h GLU 75 CO 0.04 0.89 -1.86 1.04 -1.18 0.00 0.00 179.01 177.94 2hnb n GLN 76 N -4.13 1.71 -3.88 1.92 6.02 -0.96 -5.03 117.38 113.02 2hnb n GLN 76 Ca 0.01 -0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.70 2hnb n GLN 76 Cb 0.41 -1.33 -0.00 0.00 1.02 0.00 0.00 30.24 30.33 2hnb n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2hnb n LYS 77 N -2.42 -0.62 -1.10 -1.09 5.02 0.69 -4.93 118.16 113.71 2hnb n LYS 77 Ca -0.19 -0.12 -0.29 0.00 -2.02 0.00 0.00 58.31 55.69 2hnb n LYS 77 Cb 0.85 -1.36 0.20 0.00 -0.02 0.00 0.00 35.03 34.70 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hnb s PRO 78 N -6.36 -0.03 -0.43 1.97 0.04 -1.26 -4.96 135.00 123.97 2hnb s PRO 78 Ca 0.24 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 2hnb s PRO 78 Cb -0.13 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2hnb s PRO 78 CO 0.60 -3.02 1.29 0.34 0.04 0.00 0.00 177.00 176.25 2hnb s ASP 79 N -3.44 6.48 -0.14 6.66 2.15 -1.26 -4.66 116.67 122.46 2hnb s ASP 79 Ca 0.66 0.69 0.18 0.00 0.43 0.00 0.00 52.55 54.52 2hnb s ASP 79 Cb -0.18 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.23 2hnb s ASP 79 CO 0.58 -1.34 1.20 0.18 -0.17 0.00 0.00 175.17 175.62 2hnb n LEU 80 N 8.33 2.64 -0.06 -1.34 4.77 -0.09 -4.84 117.00 126.42 2hnb n LEU 80 Ca 0.14 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 2hnb n LEU 80 Cb 0.48 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2hnb n LEU 80 CO 0.71 0.70 0.00 -1.20 -1.33 0.00 0.00 177.39 176.26 2hnb n SER 81 N -1.23 0.00 0.00 -1.43 7.64 -1.20 -0.97 113.62 116.42 2hnb n SER 81 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2hnb n SER 81 Cb 0.68 0.00 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 -0.35 1.30 -1.85 -0.43 0.00 -1.22 -4.80 120.51 113.15 2hnb n ALA 82 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 2hnb n ALA 82 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2hnb n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hnb s VAL 83 N -0.14 4.20 0.08 0.00 1.01 -0.15 -2.81 120.40 122.59 2hnb s VAL 83 Ca 0.00 1.91 0.10 0.00 0.00 0.00 0.00 61.98 63.99 2hnb s VAL 83 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2hnb s VAL 83 CO 0.00 0.49 -0.26 -0.13 0.00 0.00 0.00 175.10 175.21 2hnb s ARG 84 N -1.21 1.67 0.23 2.72 0.52 0.02 -3.10 118.95 119.81 2hnb s ARG 84 Ca 0.39 -1.19 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 2hnb s ARG 84 Cb -0.24 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 2hnb s ARG 84 CO 0.29 0.49 0.18 -0.59 0.02 0.00 0.00 175.30 175.70 2hnb s PHE 85 N -0.93 1.20 0.11 -0.53 -0.12 -0.59 -0.78 117.98 116.34 2hnb s PHE 85 Ca 0.13 -1.38 0.00 0.00 -0.05 0.00 0.00 56.93 55.63 2hnb s PHE 85 Cb -0.10 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 2hnb s PHE 85 CO 0.04 -0.71 -0.00 0.20 -0.05 0.00 0.00 175.22 174.70 2hnb s GLY 86 N -3.19 0.85 -0.04 1.99 0.00 -0.99 -0.52 107.32 105.42 2hnb s GLY 86 Ca 0.38 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 2hnb s GLY 86 CO 0.14 -1.41 0.09 0.00 0.00 0.00 0.00 173.10 171.93 2hnb s ALA 87 N -3.84 -0.14 -0.01 3.20 0.00 -1.26 -0.91 121.76 118.80 2hnb s ALA 87 Ca 0.17 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2hnb s ALA 87 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2hnb s ALA 87 CO -0.02 -0.11 -0.07 0.42 0.00 0.00 0.00 175.76 175.98 2hnb s ILE 88 N 0.84 0.59 0.14 0.00 1.01 -0.61 -2.78 121.20 120.39 2hnb s ILE 88 Ca -0.07 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.36 2hnb s ILE 88 Cb -0.09 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2hnb s ILE 88 CO -0.03 0.18 -0.01 -0.83 0.00 0.00 0.00 174.94 174.25 2hnb s GLY 89 N 0.05 1.78 -0.07 6.18 0.00 -0.34 -1.14 107.32 113.79 2hnb s GLY 89 Ca -0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 2hnb s GLY 89 CO -0.00 -1.28 -0.02 -0.42 0.00 0.00 0.00 173.10 171.37 2hnb s ILE 90 N -1.56 0.52 0.00 0.90 1.01 -0.20 -0.95 121.20 120.92 2hnb s ILE 90 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2hnb s ILE 90 Cb -0.10 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.75 2hnb s ILE 90 CO 0.18 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2hnb n GLY 91 N 4.79 1.09 3.58 6.18 0.00 -0.96 -2.37 105.19 117.50 2hnb n GLY 91 Ca -0.13 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 5.67 0.28 1.61 0.01 -1.26 -0.68 113.70 121.33 2hnb s SER 92 Ca 0.00 -0.01 0.24 0.00 1.31 0.00 0.00 55.95 57.49 2hnb s SER 92 Cb 0.00 -2.01 1.02 0.00 0.21 0.00 0.00 66.02 65.24 2hnb s SER 92 CO 0.00 0.05 1.72 -1.14 0.41 0.00 0.00 173.24 174.28 2hnb n ARG 93 N 4.38 0.20 0.11 12.44 0.63 -1.26 -0.94 116.66 132.22 2hnb n ARG 93 Ca -0.16 0.45 0.11 0.00 -0.92 0.00 0.00 57.85 57.33 2hnb n ARG 93 Cb 0.52 -1.90 0.46 0.00 0.45 0.00 0.00 32.46 31.99 2hnb n ARG 93 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2hnb n GLU 94 N -2.28 0.16 -0.94 -0.14 -0.58 -1.26 -5.00 120.64 110.60 2hnb n GLU 94 Ca 0.02 0.41 0.13 0.00 -0.42 0.00 0.00 57.16 57.29 2hnb n GLU 94 Cb 0.22 -1.81 -0.03 0.00 -0.57 0.00 0.00 31.44 29.24 2hnb n GLU 94 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2hnb n TYR 95 N -2.11 -2.34 0.00 -0.32 4.01 -0.12 -5.02 117.16 111.26 2hnb n TYR 95 Ca 0.02 1.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.92 2hnb n TYR 95 Cb 0.21 -2.12 0.00 0.00 -0.31 0.00 0.00 39.34 37.12 2hnb n TYR 95 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2hnb n ASP 96 N -4.37 0.00 -4.58 7.72 2.03 -1.21 -5.03 116.55 111.10 2hnb n ASP 96 Ca 0.01 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.05 2hnb n ASP 96 Cb 0.61 0.06 -0.11 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.15 1.74 -0.46 5.18 2.01 -0.53 -5.06 115.64 117.38 2hnb s THR 97 Ca 0.00 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.07 2hnb s THR 97 Cb 0.00 -2.90 0.40 0.00 0.01 0.00 0.00 72.50 70.01 2hnb s THR 97 CO 0.00 0.00 1.01 0.49 -0.69 0.00 0.00 174.62 175.43 2hnb n PHE 98 N -0.91 3.03 -0.91 4.92 3.72 -1.23 -4.52 117.46 121.56 2hnb n PHE 98 Ca -0.05 -3.39 0.00 0.00 -0.05 0.00 0.00 57.45 53.96 2hnb n PHE 98 Cb 0.67 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hnb h GLY 100 N 0.00 0.00 0.67 0.00 0.00 -1.92 -1.65 103.07 100.17 2hnb h GLY 100 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2hnb h GLY 100 CO 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.36 2hnb h ALA 101 N 1.80 -0.50 -0.22 3.60 0.00 -1.85 -3.17 119.26 118.93 2hnb h ALA 101 Ca 0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2hnb h ALA 101 Cb 0.57 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2hnb h ALA 101 CO -0.00 -0.61 -0.16 0.97 0.00 0.00 0.00 179.25 179.44 2hnb h ILE 102 N -0.83 1.22 -0.64 0.00 -0.00 -1.77 -2.24 117.51 113.25 2hnb h ILE 102 Ca -0.05 -1.00 0.19 0.00 -0.00 0.00 0.00 64.86 64.00 2hnb h ILE 102 Cb 0.53 1.24 -0.03 0.00 -0.00 0.00 0.00 36.82 38.57 2hnb h ILE 102 CO 0.08 0.32 0.47 -0.78 -0.00 0.00 0.00 178.15 178.24 2hnb h ASP 103 N 0.34 0.00 -0.78 2.19 3.58 -1.33 -0.59 116.42 119.82 2hnb h ASP 103 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2hnb h ASP 103 Cb 0.49 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 2hnb h ASP 103 CO 0.03 0.00 0.49 0.11 -2.88 0.00 0.00 179.24 176.99 2hnb h LYS 104 N 0.00 1.05 0.16 0.28 1.57 -1.37 0.55 116.57 118.80 2hnb h LYS 104 Ca 0.30 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2hnb h LYS 104 Cb 1.25 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2hnb h LYS 104 CO -0.00 0.72 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.45 2hnb h LEU 105 N 1.06 -0.18 -0.65 2.94 3.38 -1.26 -3.01 115.31 117.60 2hnb h LEU 105 Ca 0.28 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2hnb h LEU 105 Cb -0.07 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2hnb h LEU 105 CO -0.06 0.03 -0.46 1.05 0.09 0.00 0.00 178.44 179.09 2hnb h GLU 106 N -0.38 0.52 -0.53 1.13 4.11 -1.47 -3.25 114.58 114.71 2hnb h GLU 106 Ca -0.02 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.07 2hnb h GLU 106 Cb 0.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2hnb h GLU 106 CO 0.04 0.87 0.09 0.00 0.07 0.00 0.00 179.01 180.08 2hnb h ALA 107 N 1.09 1.17 -0.21 1.06 0.00 -0.82 -0.57 119.26 120.98 2hnb h ALA 107 Ca 0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2hnb h ALA 107 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2hnb h ALA 107 CO 0.09 0.56 -0.36 0.93 0.00 0.00 0.00 179.25 180.46 2hnb h GLU 108 N 0.79 0.46 -0.54 0.00 4.39 -1.56 0.81 114.58 118.94 2hnb h GLU 108 Ca 0.17 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2hnb h GLU 108 Cb 0.34 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2hnb h GLU 108 CO 0.00 0.76 0.04 -0.07 -1.16 0.00 0.00 179.01 178.59 2hnb h LEU 109 N 0.39 0.90 -0.43 1.33 3.38 -1.42 -0.75 115.31 118.70 2hnb h LEU 109 Ca 0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2hnb h LEU 109 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2hnb h LEU 109 CO 0.07 0.96 0.17 0.50 0.09 0.00 0.00 178.44 180.23 2hnb h LYS 110 N 0.81 0.65 -0.72 1.13 3.64 -0.73 -0.90 116.57 120.44 2hnb h LYS 110 Ca 0.16 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2hnb h LYS 110 Cb 0.47 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2hnb h LYS 110 CO 0.02 0.60 0.42 -0.97 -2.27 0.00 0.00 179.45 177.24 2hnb h ASN 111 N 0.56 0.88 0.28 4.20 -1.24 -0.81 -1.98 115.58 117.47 2hnb h ASN 111 Ca 0.14 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2hnb h ASN 111 Cb 0.19 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2hnb h ASN 111 CO -0.01 0.71 0.00 -1.20 -1.29 0.00 0.00 177.43 175.63 2hnb n SER 112 N -4.50 0.00 0.00 1.15 7.64 -0.29 -4.86 113.62 112.76 2hnb n SER 112 Ca 0.06 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2hnb n SER 112 Cb 0.07 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.25 1.86 3.52 0.23 0.00 -0.53 -0.91 105.19 109.11 2hnb n GLY 113 Ca 0.05 0.00 -0.28 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 -2.08 -0.29 0.03 4.61 0.00 -0.46 -4.22 121.76 119.35 2hnb s ALA 114 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 2hnb s ALA 114 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2hnb s ALA 114 CO 0.00 -3.71 0.06 0.15 0.00 0.00 0.00 175.76 172.26 2hnb s LYS 115 N -4.56 0.53 0.67 0.00 1.02 -1.18 -4.17 119.74 112.05 2hnb s LYS 115 Ca 0.68 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.78 2hnb s LYS 115 Cb -0.24 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 2hnb s LYS 115 CO 0.63 -0.12 1.10 -1.14 -0.92 0.00 0.00 175.35 174.90 2hnb s GLN 116 N -2.41 2.80 0.13 1.68 0.74 -1.26 -1.54 119.66 119.79 2hnb s GLN 116 Ca -0.07 1.33 0.08 0.00 0.05 0.00 0.00 55.36 56.75 2hnb s GLN 116 Cb -0.02 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.09 2hnb s GLN 116 CO -0.04 -1.24 -0.18 0.99 -0.55 0.00 0.00 175.29 174.26 2hnb s THR 117 N -2.44 1.68 0.00 -0.34 2.01 0.32 -4.80 115.64 112.06 2hnb s THR 117 Ca 0.66 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2hnb s THR 117 Cb -0.19 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.65 2hnb s THR 117 CO 0.43 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2hnb n GLY 118 N 0.63 1.92 3.09 4.40 0.00 -1.26 -4.64 105.19 109.32 2hnb n GLY 118 Ca -0.16 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 2hnb n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hnb s GLU 119 N 0.00 0.62 0.62 1.61 2.02 -1.26 -5.08 118.70 117.23 2hnb s GLU 119 Ca 0.00 -0.91 -0.18 0.00 0.02 0.00 0.00 54.97 53.90 2hnb s GLU 119 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.91 2hnb s GLU 119 CO 0.00 0.04 1.21 0.99 0.02 0.00 0.00 175.26 177.52 2hnb s THR 120 N -1.94 2.58 0.03 3.63 2.01 -1.26 -4.86 115.64 115.84 2hnb s THR 120 Ca -0.04 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.35 2hnb s THR 120 Cb -0.06 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2hnb s THR 120 CO -0.01 -0.09 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.47 2hnb s LEU 121 N -4.27 2.15 0.08 4.42 2.96 -1.12 -5.05 118.68 117.86 2hnb s LEU 121 Ca 0.77 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 54.34 2hnb s LEU 121 Cb -0.30 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 2hnb s LEU 121 CO 0.35 0.05 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.67 2hnb s LYS 122 N -1.03 1.74 -0.27 1.98 3.01 -1.26 -1.20 119.74 122.71 2hnb s LYS 122 Ca 0.02 -1.17 0.02 0.00 -1.01 0.00 0.00 55.97 53.83 2hnb s LYS 122 Cb -0.07 -2.03 0.07 0.00 -1.01 0.00 0.00 37.83 34.79 2hnb s LYS 122 CO 0.01 0.49 -0.02 0.42 0.51 0.00 0.00 175.35 176.76 2hnb s ILE 123 N -0.98 1.71 0.09 2.17 1.01 -0.12 -4.74 121.20 120.34 2hnb s ILE 123 Ca 0.14 -1.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.93 2hnb s ILE 123 Cb -0.10 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.24 2hnb s ILE 123 CO 0.06 -0.27 1.46 0.21 0.00 0.00 0.00 174.94 176.39 2hnb s ASN 124 N 1.27 6.76 -0.00 3.58 2.47 -1.26 -2.27 114.94 125.49 2hnb s ASN 124 Ca -0.01 2.34 0.00 0.00 0.42 0.00 0.00 52.86 55.62 2hnb s ASN 124 Cb -0.19 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 2hnb s ASN 124 CO -0.09 -0.73 0.89 2.30 -3.72 0.00 0.00 177.10 175.75 2hnb n ILE 125 N 4.24 0.78 -0.23 -5.21 -6.64 0.15 -2.07 119.36 110.38 2hnb n ILE 125 Ca 0.13 -0.79 0.02 0.00 -1.77 0.00 0.00 62.75 60.34 2hnb n ILE 125 Cb 0.42 0.60 0.27 0.00 -1.44 0.00 0.00 39.64 39.49 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 0.83 0.00 7.28 5.85 -1.91 -3.43 115.31 123.93 2hnb h LEU 126 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2hnb h LEU 126 Cb 0.62 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2hnb h LEU 126 CO 0.00 0.58 0.00 -0.67 -0.34 0.00 0.00 178.44 178.01 2hnb n ASP 127 N -4.45 0.00 0.00 1.25 2.03 -1.26 -4.98 116.55 109.15 2hnb n ASP 127 Ca 0.10 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.53 2hnb n ASP 127 Cb 0.11 0.11 0.58 0.00 -0.72 0.00 0.00 41.12 41.19 2hnb n ASP 127 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2hnb n HIS 128 N -1.73 0.00 0.00 -0.67 -0.00 -1.26 -4.90 115.22 106.65 2hnb n HIS 128 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hnb n HIS 128 Cb 0.00 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.44 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 -1.43 0.00 -4.12 0.26 2.03 -1.19 -4.81 116.55 107.28 2hnb n ASP 129 Ca 0.08 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.29 2hnb n ASP 129 Cb 0.27 -0.42 -0.09 0.00 -0.72 0.00 0.00 41.12 40.16 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 -0.43 0.06 1.46 5.18 -4.36 -0.88 -4.64 121.20 117.60 2hnb s ILE 130 Ca 0.00 -1.82 -0.24 0.00 -0.26 0.00 0.00 60.65 58.33 2hnb s ILE 130 Cb 0.00 -2.14 0.37 0.00 1.25 0.00 0.00 42.46 41.94 2hnb s ILE 130 CO 0.00 -0.29 0.85 -2.65 0.24 0.00 0.00 174.94 173.09 2hnb n PRO 131 N -0.18 -4.74 0.00 0.37 -0.02 -1.26 -4.49 135.00 124.68 2hnb n PRO 131 Ca -0.04 -1.41 0.05 0.00 -2.02 0.00 0.00 63.50 60.09 2hnb n PRO 131 Cb 0.64 -1.91 0.29 0.00 -0.02 0.00 0.00 33.50 32.50 2hnb n PRO 131 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2hnb n GLU 132 N -5.61 0.26 -3.72 -0.52 0.28 -1.26 -4.54 120.64 105.53 2hnb n GLU 132 Ca 0.13 0.07 -0.12 0.00 -0.16 0.00 0.00 57.16 57.08 2hnb n GLU 132 Cb 0.59 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.83 2hnb n GLU 132 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2hnb s ASP 133 N -2.20 -0.28 0.73 -1.84 2.15 -1.26 -5.17 116.67 108.80 2hnb s ASP 133 Ca 0.13 0.56 -0.12 0.00 0.43 0.00 0.00 52.55 53.55 2hnb s ASP 133 Cb 0.07 0.45 0.04 0.00 -0.30 0.00 0.00 42.92 43.17 2hnb s ASP 133 CO 0.13 -0.17 1.10 -2.16 -0.17 0.00 0.00 175.17 173.90 2hnb s PRO 134 N 1.29 2.43 0.47 4.34 0.04 -1.26 -4.93 135.00 137.37 2hnb s PRO 134 Ca -0.09 1.26 0.32 0.00 0.04 0.00 0.00 61.00 62.52 2hnb s PRO 134 Cb -0.10 -1.91 1.50 0.00 0.04 0.00 0.00 34.50 34.02 2hnb s PRO 134 CO -0.09 -1.52 1.95 0.00 0.04 0.00 0.00 177.00 177.39 2hnb h ALA 135 N -0.72 1.00 -0.65 8.56 0.00 -1.99 -3.32 119.26 122.14 2hnb h ALA 135 Ca -0.45 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.52 2hnb h ALA 135 Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2hnb h ALA 135 CO 0.52 0.00 0.36 0.93 0.00 0.00 0.00 179.25 181.06 2hnb h GLU 136 N 0.00 0.64 -0.08 0.00 5.08 -1.99 0.72 114.58 118.95 2hnb h GLU 136 Ca 0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2hnb h GLU 136 Cb 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2hnb h GLU 136 CO 0.00 0.42 -0.72 1.49 -1.00 0.00 0.00 179.01 179.20 2hnb h GLU 137 N 0.66 0.41 -0.41 2.33 4.81 -1.98 -0.75 114.58 119.65 2hnb h GLU 137 Ca 0.30 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2hnb h GLU 137 Cb 0.20 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2hnb h GLU 137 CO -0.19 0.97 -0.32 2.35 -0.73 0.00 0.00 179.01 181.09 2hnb h TRP 138 N 0.28 1.10 -0.68 0.92 2.91 -1.59 -0.31 115.95 118.59 2hnb h TRP 138 Ca -0.03 -0.31 -0.08 0.00 1.13 0.00 0.00 58.89 59.60 2hnb h TRP 138 Cb 1.29 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.67 2hnb h TRP 138 CO 0.04 1.13 0.11 1.25 -1.03 0.00 0.00 178.44 179.95 2hnb h LEU 139 N 0.76 1.08 -0.50 0.65 5.85 -0.82 0.29 115.31 122.62 2hnb h LEU 139 Ca 0.08 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2hnb h LEU 139 Cb 0.91 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2hnb h LEU 139 CO 0.08 1.06 0.20 1.23 -0.34 0.00 0.00 178.44 180.67 2hnb h GLY 140 N 1.06 0.67 1.62 3.75 0.00 -0.90 -0.52 103.07 108.75 2hnb h GLY 140 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2hnb h GLY 140 CO 0.01 0.04 -0.06 1.76 0.00 0.00 0.00 176.54 178.29 2hnb h SER 141 N 0.39 0.45 0.26 0.19 0.02 -0.56 -1.72 113.55 112.58 2hnb h SER 141 Ca 0.23 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2hnb h SER 141 Cb 0.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2hnb h SER 141 CO -0.22 0.56 -0.12 -0.25 -1.14 0.00 0.00 176.83 175.66 2hnb h TRP 142 N 0.45 -0.32 0.00 3.45 7.01 -0.22 -3.21 115.95 123.11 2hnb h TRP 142 Ca 0.09 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 2hnb h TRP 142 Cb 0.39 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 2hnb h TRP 142 CO 0.01 -0.00 -0.18 -0.39 -2.79 0.00 0.00 178.44 175.09 2hnb h VAL 143 N -0.65 0.72 -0.27 2.65 -1.51 -0.95 -2.31 116.25 113.92 2hnb h VAL 143 Ca -0.04 -0.74 0.08 0.00 -1.23 0.00 0.00 66.70 64.78 2hnb h VAL 143 Cb 0.46 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2hnb h VAL 143 CO 0.06 0.18 0.31 -1.13 -1.23 0.00 0.00 177.57 175.75 2hnb h ASN 144 N 0.00 0.00 -0.04 4.19 -0.73 -1.31 0.51 115.58 118.20 2hnb h ASN 144 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2hnb h ASN 144 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2hnb h ASN 144 CO 0.02 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.26 2hnb n LEU 145 N -3.72 2.86 0.00 0.34 4.77 -0.87 -4.46 117.00 115.93 2hnb n LEU 145 Ca 0.04 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2hnb n LEU 145 Cb 0.45 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2hnb n LEU 145 CO 0.27 0.49 -0.06 0.00 -1.33 0.00 0.00 177.39 176.76 2hnb n LEU 146 N 1.25 0.00 0.00 2.23 -0.00 -0.49 -4.94 117.00 115.06 2hnb n LEU 146 Ca 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2hnb n LEU 146 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2hnb n LEU 146 CO 0.14 0.00 0.16 2.29 -0.00 0.00 0.00 177.39 179.98