#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 2.09 0.00 -5.12 0.00 -1.26 -4.77 121.76 112.69 2hnb s ALA 2 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2hnb s ALA 2 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2hnb s ALA 2 CO 0.00 -1.91 0.00 -3.47 0.00 0.00 0.00 175.76 170.38 2hnb n ASP 3 N -3.08 1.44 -3.75 0.00 2.03 -0.32 -4.85 116.55 108.02 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 0.19 -0.11 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.77 1.05 -2.35 5.18 5.41 -0.07 -4.14 119.36 123.66 2hnb n ILE 4 Ca 0.00 -4.58 -0.43 0.00 1.00 0.00 0.00 62.75 58.75 2hnb n ILE 4 Cb 0.10 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 36.94 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 -1.22 4.02 0.43 1.39 2.01 -1.25 -3.67 115.64 117.36 2hnb s THR 5 Ca 0.28 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 63.20 2hnb s THR 5 Cb -0.01 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 2hnb s THR 5 CO -0.16 -0.47 1.01 -0.76 -0.69 0.00 0.00 174.62 173.55 2hnb s LEU 6 N 4.67 3.99 -0.56 4.42 1.02 0.59 -3.16 118.68 129.66 2hnb s LEU 6 Ca 0.60 1.90 0.01 0.00 0.02 0.00 0.00 54.13 56.66 2hnb s LEU 6 Cb -0.18 -4.40 0.14 0.00 0.02 0.00 0.00 46.19 41.77 2hnb s LEU 6 CO 0.25 -0.54 0.33 -0.63 0.02 0.00 0.00 176.35 175.78 2hnb s ILE 7 N -1.90 3.04 0.17 -0.59 1.01 0.37 -1.20 121.20 122.11 2hnb s ILE 7 Ca 0.62 -3.14 -0.29 0.00 0.00 0.00 0.00 60.65 57.84 2hnb s ILE 7 Cb -0.16 -3.05 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 2hnb s ILE 7 CO 0.21 -0.82 0.92 -0.44 0.00 0.00 0.00 174.94 174.81 2hnb s SER 8 N 0.16 7.55 -0.45 3.58 0.01 0.02 -1.48 113.70 123.09 2hnb s SER 8 Ca 0.17 1.84 0.05 0.00 1.31 0.00 0.00 55.95 59.32 2hnb s SER 8 Cb -0.23 -2.58 0.20 0.00 0.21 0.00 0.00 66.02 63.61 2hnb s SER 8 CO -0.02 0.07 0.43 0.61 0.41 0.00 0.00 173.24 174.74 2hnb n GLY 9 N 1.83 2.66 3.13 3.44 0.00 -0.61 -1.58 105.19 114.06 2hnb n GLY 9 Ca -0.01 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 2hnb n GLY 9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hnb s SER 10 N -0.58 -0.13 0.20 1.61 1.04 -1.26 -1.81 113.70 112.77 2hnb s SER 10 Ca 0.33 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.96 2hnb s SER 10 Cb 0.07 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.66 2hnb s SER 10 CO -0.16 -0.24 1.47 0.71 0.98 0.00 0.00 173.24 176.00 2hnb h THR 11 N 4.45 1.46 0.00 2.02 1.35 -1.96 -3.41 112.91 116.82 2hnb h THR 11 Ca -0.28 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 2hnb h THR 11 Cb 1.19 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 2hnb h THR 11 CO 0.39 0.69 -0.37 0.00 -0.25 0.00 0.00 175.52 175.97 2hnb n LEU 12 N -3.74 0.21 0.00 3.87 -0.00 -1.26 -5.00 117.00 111.09 2hnb n LEU 12 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 2hnb n LEU 12 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.14 2hnb n LEU 12 CO 0.46 0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.49 2hnb n GLY 13 N 1.59 2.37 0.00 1.47 0.00 -1.26 -5.06 105.19 104.30 2hnb n GLY 13 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.65 1.86 0.26 -0.02 0.00 -1.26 -4.86 105.19 100.52 2hnb n GLY 14 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 2hnb n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 15 N 0.00 1.17 -0.51 4.61 0.00 -1.93 -1.56 119.26 121.04 2hnb h ALA 15 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2hnb h ALA 15 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2hnb h ALA 15 CO 0.00 0.53 0.15 0.93 0.00 0.00 0.00 179.25 180.86 2hnb h GLU 16 N 0.51 0.76 -0.04 0.00 5.08 -1.90 0.10 114.58 119.10 2hnb h GLU 16 Ca 0.09 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2hnb h GLU 16 Cb 0.54 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2hnb h GLU 16 CO 0.03 0.67 -0.23 1.88 -1.00 0.00 0.00 179.01 180.36 2hnb h TYR 17 N 0.74 0.31 -0.64 4.33 0.05 -1.78 -1.44 116.97 118.54 2hnb h TYR 17 Ca 0.17 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2hnb h TYR 17 Cb 0.24 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 2hnb h TYR 17 CO 0.01 0.87 0.38 0.28 -1.05 0.00 0.00 178.16 178.65 2hnb h VAL 18 N -0.34 1.19 -0.35 -2.88 2.07 -1.23 -1.05 116.25 113.66 2hnb h VAL 18 Ca -0.02 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2hnb h VAL 18 Cb 0.90 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2hnb h VAL 18 CO 0.05 0.19 0.22 0.00 0.02 0.00 0.00 177.57 178.05 2hnb h ALA 19 N 1.20 0.45 -0.49 1.67 0.00 -0.75 -0.40 119.26 120.93 2hnb h ALA 19 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2hnb h ALA 19 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2hnb h ALA 19 CO -0.04 -0.07 0.24 1.49 0.00 0.00 0.00 179.25 180.86 2hnb h GLU 20 N 0.46 0.71 -0.44 0.00 4.81 -1.04 0.56 114.58 119.64 2hnb h GLU 20 Ca 0.13 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2hnb h GLU 20 Cb -0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2hnb h GLU 20 CO -0.03 0.60 0.09 1.25 -0.73 0.00 0.00 179.01 180.19 2hnb h HIS 21 N 0.65 0.69 -0.03 0.92 2.76 -0.74 -1.84 115.15 117.56 2hnb h HIS 21 Ca 0.17 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 2hnb h HIS 21 Cb 0.12 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2hnb h HIS 21 CO -0.01 0.60 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.88 2hnb h LEU 22 N 0.65 0.30 -1.48 0.26 3.38 -0.89 -3.34 115.31 114.19 2hnb h LEU 22 Ca 0.15 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.47 2hnb h LEU 22 Cb 0.27 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2hnb h LEU 22 CO 0.00 0.95 0.41 0.00 0.09 0.00 0.00 178.44 179.89 2hnb h ALA 23 N 0.36 1.75 -0.83 1.53 0.00 -0.53 -1.29 119.26 120.24 2hnb h ALA 23 Ca -0.02 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.06 2hnb h ALA 23 Cb 0.96 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 2hnb h ALA 23 CO 0.06 0.16 0.29 1.49 0.00 0.00 0.00 179.25 181.25 2hnb h GLU 24 N 0.65 0.33 0.04 0.00 4.81 -1.46 -0.34 114.58 118.59 2hnb h GLU 24 Ca 0.26 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.25 2hnb h GLU 24 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2hnb h GLU 24 CO -0.08 0.22 -1.00 0.87 -0.73 0.00 0.00 179.01 178.29 2hnb h LYS 25 N 0.34 0.18 -0.69 1.92 6.56 -1.42 -2.18 116.57 121.28 2hnb h LYS 25 Ca 0.50 -0.24 -0.06 0.00 -1.06 0.00 0.00 60.65 59.79 2hnb h LYS 25 Cb 0.92 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.63 2hnb h LYS 25 CO -0.53 1.04 0.19 -0.07 -2.06 0.00 0.00 179.45 178.01 2hnb h LEU 26 N 0.08 1.02 -0.56 2.94 3.38 -1.20 0.05 115.31 121.02 2hnb h LEU 26 Ca -0.06 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 2hnb h LEU 26 Cb 1.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2hnb h LEU 26 CO 0.15 0.96 0.07 -0.33 0.09 0.00 0.00 178.44 179.39 2hnb h GLU 27 N 1.03 0.94 -0.44 1.13 5.08 -0.97 -1.10 114.58 120.25 2hnb h GLU 27 Ca 0.22 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2hnb h GLU 27 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2hnb h GLU 27 CO -0.00 0.91 0.04 0.93 -1.00 0.00 0.00 179.01 179.89 2hnb h GLU 28 N 0.83 0.69 0.00 2.33 5.08 -1.13 -2.00 114.58 120.38 2hnb h GLU 28 Ca 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2hnb h GLU 28 Cb 0.44 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2hnb h GLU 28 CO 0.01 0.68 -0.10 0.00 -1.00 0.00 0.00 179.01 178.60 2hnb h ALA 29 N 1.39 1.09 0.00 3.43 0.00 -0.62 -3.47 119.26 121.09 2hnb h ALA 29 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hnb h ALA 29 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hnb h ALA 29 CO 0.01 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2hnb n GLY 30 N -0.27 0.98 3.79 0.00 0.00 -0.66 -5.08 105.19 103.96 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 1.71 0.04 1.61 0.08 -0.51 -4.97 117.98 113.94 2hnb s PHE 31 Ca 0.00 0.57 0.09 0.00 0.12 0.00 0.00 56.93 57.71 2hnb s PHE 31 Cb 0.00 -3.66 -0.03 0.00 -0.57 0.00 0.00 43.02 38.76 2hnb s PHE 31 CO 0.00 -2.82 -0.26 0.95 -0.10 0.00 0.00 175.22 172.99 2hnb s THR 32 N -3.43 2.10 0.23 0.64 -4.23 -1.26 -4.16 115.64 105.52 2hnb s THR 32 Ca 0.69 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2hnb s THR 32 Cb -0.10 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 2hnb s THR 32 CO 0.54 0.37 0.07 0.42 -0.54 0.00 0.00 174.62 175.48 2hnb s THR 33 N -0.79 0.56 -0.02 3.99 -4.23 -1.26 -0.90 115.64 112.99 2hnb s THR 33 Ca 0.11 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.45 2hnb s THR 33 Cb -0.10 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.29 2hnb s THR 33 CO 0.02 -0.13 0.39 -0.70 -0.54 0.00 0.00 174.62 173.66 2hnb s GLU 34 N -4.01 0.75 -0.84 3.99 2.56 -1.24 -4.66 118.70 115.26 2hnb s GLU 34 Ca 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 54.97 55.24 2hnb s GLU 34 Cb 0.07 0.34 0.28 0.00 2.00 0.00 0.00 34.13 36.82 2hnb s GLU 34 CO 0.11 -0.21 1.09 0.25 -0.56 0.00 0.00 175.26 175.94 2hnb n THR 35 N 1.20 3.75 -2.26 -1.70 -2.24 -1.26 -0.30 114.28 111.48 2hnb n THR 35 Ca -0.21 -5.56 -0.42 0.00 -2.27 0.00 0.00 64.05 55.59 2hnb n THR 35 Cb 0.56 -2.06 -0.03 0.00 -2.10 0.00 0.00 70.33 66.70 2hnb n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2hnb s LEU 36 N -2.68 3.46 -0.17 3.22 0.20 -0.34 -4.74 118.68 117.63 2hnb s LEU 36 Ca 0.36 0.66 -0.29 0.00 0.69 0.00 0.00 54.13 55.55 2hnb s LEU 36 Cb 0.11 -3.22 -0.02 0.00 -0.43 0.00 0.00 46.19 42.62 2hnb s LEU 36 CO 0.04 -1.71 1.40 -1.38 -0.29 0.00 0.00 176.35 174.40 2hnb s HIS 37 N 6.43 2.53 -1.25 5.38 -3.43 -1.26 -0.80 115.29 122.89 2hnb s HIS 37 Ca 0.62 0.75 -0.08 0.00 -0.80 0.00 0.00 55.06 55.56 2hnb s HIS 37 Cb -0.14 -3.73 -0.01 0.00 -1.43 0.00 0.00 32.58 27.27 2hnb s HIS 37 CO 0.28 -2.32 0.68 0.41 -2.00 0.00 0.00 174.74 171.80 2hnb n GLY 38 N 3.99 -0.58 3.51 -1.38 0.00 -0.62 -4.94 105.19 105.17 2hnb n GLY 38 Ca 0.15 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.99 -1.53 0.22 1.61 0.04 -1.26 -4.83 135.00 123.25 2hnb s PRO 39 Ca 0.20 0.15 0.07 0.00 0.04 0.00 0.00 61.00 61.45 2hnb s PRO 39 Cb -0.06 -1.54 -0.05 0.00 0.04 0.00 0.00 34.50 32.89 2hnb s PRO 39 CO 0.84 -3.96 -0.11 -0.51 0.04 0.00 0.00 177.00 173.30 2hnb s LEU 40 N -7.19 2.51 0.51 -3.56 1.43 -1.26 -4.55 118.68 106.56 2hnb s LEU 40 Ca 0.69 -1.07 0.21 0.00 -1.03 0.00 0.00 54.13 52.93 2hnb s LEU 40 Cb -0.13 -0.59 1.34 0.00 0.03 0.00 0.00 46.19 46.83 2hnb s LEU 40 CO 0.58 -0.25 2.10 0.25 0.23 0.00 0.00 176.35 179.25 2hnb h LEU 41 N 2.52 0.00 0.00 1.79 5.85 -1.90 -1.06 115.31 122.51 2hnb h LEU 41 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2hnb h LEU 41 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2hnb h LEU 41 CO 0.63 0.09 0.00 -0.62 -0.34 0.00 0.00 178.44 178.21 2hnb n GLU 42 N -4.10 0.06 -0.47 1.25 1.02 -1.26 -2.35 120.64 114.79 2hnb n GLU 42 Ca -0.03 0.29 0.04 0.00 -0.02 0.00 0.00 57.16 57.44 2hnb n GLU 42 Cb 0.18 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.16 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hnb n ASP 43 N -1.39 1.07 -3.79 1.62 2.03 -0.41 -5.00 116.55 110.68 2hnb n ASP 43 Ca 0.03 -2.54 -0.26 0.00 0.52 0.00 0.00 54.79 52.55 2hnb n ASP 43 Cb 0.08 -0.32 -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 -1.27 0.99 0.86 -2.67 1.43 -0.99 -4.88 118.68 112.14 2hnb s LEU 44 Ca 0.18 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2hnb s LEU 44 Cb 0.17 -0.59 0.11 0.00 0.03 0.00 0.00 46.19 45.90 2hnb s LEU 44 CO -0.01 -0.23 1.09 -2.16 0.23 0.00 0.00 176.35 175.27 2hnb s PRO 45 N 1.86 1.56 0.00 1.29 0.04 -1.26 -4.89 135.00 133.60 2hnb s PRO 45 Ca 0.02 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2hnb s PRO 45 Cb -0.14 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2hnb s PRO 45 CO -0.07 -2.05 0.62 0.00 0.04 0.00 0.00 177.00 175.54 2hnb n ALA 46 N -3.76 2.27 -3.36 8.56 0.00 -1.26 -4.71 120.51 118.25 2hnb n ALA 46 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2hnb n ALA 46 Cb 0.55 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.70 -0.42 0.00 0.00 1.04 -1.26 -2.75 113.70 109.61 2hnb s SER 47 Ca 0.00 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2hnb s SER 47 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2hnb s SER 47 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2hnb n GLY 48 N 1.79 0.38 2.94 7.32 0.00 -1.23 -4.88 105.19 111.50 2hnb n GLY 48 Ca -0.18 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.38 2.06 0.50 -0.61 1.09 -1.26 -0.99 121.20 120.62 2hnb s ILE 49 Ca 0.00 -2.40 0.03 0.00 -1.10 0.00 0.00 60.65 57.18 2hnb s ILE 49 Cb 0.00 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.92 2hnb s ILE 49 CO 0.00 -0.67 0.70 0.26 -0.10 0.00 0.00 174.94 175.13 2hnb s TRP 50 N 0.74 2.88 -0.21 3.97 0.23 -0.02 -3.82 118.94 122.71 2hnb s TRP 50 Ca 0.12 -0.11 -0.04 0.00 -2.03 0.00 0.00 56.10 54.04 2hnb s TRP 50 Cb -0.20 -2.60 0.11 0.00 0.03 0.00 0.00 33.47 30.80 2hnb s TRP 50 CO -0.09 -0.69 0.29 -1.17 0.96 0.00 0.00 176.95 176.26 2hnb s LEU 51 N -4.61 -0.35 -0.09 2.99 2.96 -1.19 -2.20 118.68 116.20 2hnb s LEU 51 Ca 0.56 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.42 2hnb s LEU 51 Cb -0.10 0.72 -0.05 0.00 0.50 0.00 0.00 46.19 47.27 2hnb s LEU 51 CO 0.37 -0.31 0.26 -0.69 -1.32 0.00 0.00 176.35 174.66 2hnb s VAL 52 N 2.43 5.30 -0.03 1.68 1.01 0.00 -0.47 120.40 130.31 2hnb s VAL 52 Ca 0.08 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2hnb s VAL 52 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2hnb s VAL 52 CO -0.13 0.56 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 2hnb s ILE 53 N -0.75 0.52 0.02 2.22 1.09 -0.55 -1.32 121.20 122.43 2hnb s ILE 53 Ca 0.18 -0.17 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 2hnb s ILE 53 Cb -0.14 -0.51 -0.02 0.00 -1.06 0.00 0.00 42.46 40.74 2hnb s ILE 53 CO 0.07 0.19 -0.04 -0.94 -0.10 0.00 0.00 174.94 174.13 2hnb s SER 54 N 0.54 0.40 -0.93 3.58 1.04 -1.08 -1.57 113.70 115.68 2hnb s SER 54 Ca -0.07 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 2hnb s SER 54 Cb -0.10 0.04 0.23 0.00 0.10 0.00 0.00 66.02 66.29 2hnb s SER 54 CO 0.00 -0.17 0.85 -1.20 0.98 0.00 0.00 173.24 173.70 2hnb n SER 55 N 2.00 4.43 -4.50 7.02 7.64 -0.75 -1.07 113.62 128.39 2hnb n SER 55 Ca -0.20 -3.14 -0.58 0.00 1.01 0.00 0.00 58.87 55.95 2hnb n SER 55 Cb 0.56 -1.08 -0.09 0.00 -1.01 0.00 0.00 64.21 62.59 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 2.25 0.13 0.29 0.44 -1.04 0.58 -4.29 114.28 112.63 2hnb n THR 56 Ca 0.23 -0.08 0.17 0.00 -2.04 0.00 0.00 64.05 62.32 2hnb n THR 56 Cb 0.37 -1.00 0.86 0.00 -1.82 0.00 0.00 70.33 68.74 2hnb n THR 56 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 2hnb h HIS 57 N 8.84 0.00 0.00 -1.42 3.86 -1.72 -2.87 115.15 121.84 2hnb h HIS 57 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2hnb h HIS 57 Cb 1.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.83 2hnb h HIS 57 CO 0.87 0.06 0.00 0.41 0.86 0.00 0.00 177.93 180.13 2hnb n GLY 58 N -0.66 0.47 1.12 2.45 0.00 -1.26 -4.60 105.19 102.70 2hnb n GLY 58 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 2.75 -0.19 4.61 0.00 -1.26 -0.86 120.51 125.55 2hnb n ALA 59 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.86 2hnb n ALA 59 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.10 0.73 3.66 0.00 0.00 -1.26 -4.89 105.19 103.33 2hnb n GLY 60 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2hnb n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hnb s ASP 61 N -2.58 7.05 0.28 1.61 2.15 -1.26 -4.61 116.67 119.30 2hnb s ASP 61 Ca 0.00 1.30 -0.27 0.00 0.43 0.00 0.00 52.55 54.00 2hnb s ASP 61 Cb 0.00 -2.50 -0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2hnb s ASP 61 CO 0.00 -0.53 0.92 -0.63 -0.17 0.00 0.00 175.17 174.76 2hnb s ILE 62 N 2.64 4.18 0.23 4.11 1.01 -1.26 -1.99 121.20 130.11 2hnb s ILE 62 Ca 0.42 1.90 -0.31 0.00 0.00 0.00 0.00 60.65 62.66 2hnb s ILE 62 Cb -0.16 -4.14 -0.15 0.00 0.01 0.00 0.00 42.46 38.03 2hnb s ILE 62 CO 0.10 0.31 1.13 -2.65 0.00 0.00 0.00 174.94 173.82 2hnb n PRO 63 N 0.99 1.35 0.33 2.79 -0.02 -1.26 -4.65 135.00 134.52 2hnb n PRO 63 Ca -0.00 0.48 0.21 0.00 -2.02 0.00 0.00 63.50 62.17 2hnb n PRO 63 Cb 0.49 -1.94 1.15 0.00 -0.02 0.00 0.00 33.50 33.18 2hnb n PRO 63 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hnb h ASP 64 N 2.88 0.00 0.43 2.55 3.58 -1.95 -0.18 116.42 123.73 2hnb h ASP 64 Ca -0.42 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.93 2hnb h ASP 64 Cb 1.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2hnb h ASP 64 CO 0.67 0.00 -0.46 -0.55 -2.88 0.00 0.00 179.24 176.02 2hnb h ASN 65 N 0.00 0.04 0.00 2.28 -1.07 -1.89 -3.38 115.58 111.56 2hnb h ASN 65 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 2hnb h ASN 65 Cb 0.03 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 2hnb h ASN 65 CO 0.00 0.50 -0.83 -0.11 0.07 0.00 0.00 177.43 177.05 2hnb n LEU 66 N -3.99 0.00 -0.33 6.14 7.94 -0.69 -4.22 117.00 121.85 2hnb n LEU 66 Ca -0.02 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.08 2hnb n LEU 66 Cb 0.49 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.84 2hnb n LEU 66 CO 0.40 0.00 1.09 -1.28 -1.11 0.00 0.00 177.39 176.49 2hnb h SER 67 N 0.00 0.44 -0.62 1.96 0.87 -1.23 0.03 113.55 114.99 2hnb h SER 67 Ca 0.00 0.18 0.18 0.00 -1.23 0.00 0.00 61.79 60.92 2hnb h SER 67 Cb 0.21 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2hnb h SER 67 CO 0.00 -0.07 0.59 -0.65 -0.53 0.00 0.00 176.83 176.17 2hnb h PRO 68 N 0.37 0.00 -0.67 2.24 0.11 -1.85 -1.58 132.00 130.62 2hnb h PRO 68 Ca 0.67 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.74 2hnb h PRO 68 Cb 1.42 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.49 2hnb h PRO 68 CO -0.58 0.00 0.27 0.35 -0.21 0.00 0.00 178.00 177.83 2hnb h PHE 69 N 0.00 1.00 -0.70 0.65 3.57 -1.22 -0.30 116.94 119.93 2hnb h PHE 69 Ca 0.30 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2hnb h PHE 69 Cb 1.47 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 2hnb h PHE 69 CO 0.00 0.76 0.24 -0.92 -2.23 0.00 0.00 178.31 176.17 2hnb h TYR 70 N 0.97 1.09 -0.07 0.41 3.20 -1.44 -0.51 116.97 120.62 2hnb h TYR 70 Ca 0.23 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2hnb h TYR 70 Cb 0.19 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2hnb h TYR 70 CO 0.01 0.85 -0.03 0.93 -1.64 0.00 0.00 178.16 178.29 2hnb h GLU 71 N 1.03 0.14 0.00 1.82 5.08 -1.48 -2.11 114.58 119.07 2hnb h GLU 71 Ca 0.23 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2hnb h GLU 71 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2hnb h GLU 71 CO -0.01 0.50 -0.24 0.00 -1.00 0.00 0.00 179.01 178.25 2hnb h ALA 72 N 0.64 1.53 0.49 3.43 0.00 -0.86 0.17 119.26 124.67 2hnb h ALA 72 Ca 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2hnb h ALA 72 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hnb h ALA 72 CO 0.01 0.30 -0.24 -0.07 0.00 0.00 0.00 179.25 179.25 2hnb h LEU 73 N 0.00 -0.56 -1.13 0.00 3.38 -1.07 -3.18 115.31 112.75 2hnb h LEU 73 Ca -0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2hnb h LEU 73 Cb 0.45 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2hnb h LEU 73 CO 0.03 -0.18 -0.40 0.06 0.09 0.00 0.00 178.44 178.04 2hnb h GLN 74 N -1.01 0.00 0.00 1.13 3.07 -0.95 0.11 115.11 117.45 2hnb h GLN 74 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 2hnb h GLN 74 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 2hnb h GLN 74 CO 0.11 0.40 -0.18 0.93 0.09 0.00 0.00 178.83 180.19 2hnb h GLU 75 N 0.00 0.00 0.00 0.06 4.39 -1.09 -3.38 114.58 114.56 2hnb h GLU 75 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2hnb h GLU 75 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2hnb h GLU 75 CO 0.05 0.18 -1.13 1.04 -1.16 0.00 0.00 179.01 177.99 2hnb n GLN 76 N -3.19 1.48 -3.88 2.33 6.02 -1.08 -5.06 117.38 114.01 2hnb n GLN 76 Ca 0.02 0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.77 2hnb n GLN 76 Cb 0.53 -1.05 0.01 0.00 1.02 0.00 0.00 30.24 30.75 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 -2.37 -0.61 -1.07 -1.09 4.81 0.35 -4.95 118.16 113.21 2hnb n LYS 77 Ca -0.04 -0.18 -0.29 0.00 -0.87 0.00 0.00 58.31 56.94 2hnb n LYS 77 Cb 0.55 -0.86 0.20 0.00 0.02 0.00 0.00 35.03 34.93 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 -6.15 -0.03 -0.35 1.64 0.04 -1.26 -4.96 135.00 123.92 2hnb s PRO 78 Ca 0.25 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 2hnb s PRO 78 Cb -0.14 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 2hnb s PRO 78 CO 0.52 -3.03 1.54 0.34 0.04 0.00 0.00 177.00 176.41 2hnb s ASP 79 N -3.39 6.24 -0.17 6.66 2.15 -1.26 -4.74 116.67 122.15 2hnb s ASP 79 Ca 0.66 1.10 0.15 0.00 0.43 0.00 0.00 52.55 54.89 2hnb s ASP 79 Cb -0.19 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.27 2hnb s ASP 79 CO 0.58 -1.46 1.21 0.18 -0.17 0.00 0.00 175.17 175.51 2hnb n LEU 80 N 9.11 2.70 -0.54 -1.34 4.77 -0.30 -4.85 117.00 126.54 2hnb n LEU 80 Ca 0.19 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 2hnb n LEU 80 Cb 0.47 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2hnb n LEU 80 CO 0.69 1.01 0.05 -1.20 -1.33 0.00 0.00 177.39 176.61 2hnb n SER 81 N -1.24 0.20 0.00 -1.43 7.64 -1.25 -1.48 113.62 116.06 2hnb n SER 81 Ca 0.19 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2hnb n SER 81 Cb 0.70 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.46 0.28 -1.77 -0.43 0.00 -1.23 -4.85 120.51 112.98 2hnb n ALA 82 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 2hnb n ALA 82 Cb 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 3.82 0.04 0.00 1.01 -0.55 -3.57 120.40 121.15 2hnb s VAL 83 Ca 0.00 1.66 0.09 0.00 0.00 0.00 0.00 61.98 63.73 2hnb s VAL 83 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2hnb s VAL 83 CO 0.00 0.27 -0.26 -0.13 0.00 0.00 0.00 175.10 174.98 2hnb s ARG 84 N -1.75 1.83 0.24 2.72 1.81 -0.16 -2.62 118.95 121.01 2hnb s ARG 84 Ca 0.48 -1.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 2hnb s ARG 84 Cb -0.26 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 2hnb s ARG 84 CO 0.32 0.52 0.14 -0.59 -0.68 0.00 0.00 175.30 175.01 2hnb s PHE 85 N -0.80 1.35 0.15 -0.53 -0.12 -0.95 -0.84 117.98 116.24 2hnb s PHE 85 Ca 0.12 -1.36 -0.00 0.00 -0.05 0.00 0.00 56.93 55.64 2hnb s PHE 85 Cb -0.10 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 2hnb s PHE 85 CO 0.02 -0.58 0.05 0.20 -0.05 0.00 0.00 175.22 174.86 2hnb s GLY 86 N -3.24 1.11 -0.12 1.99 0.00 -0.93 -0.40 107.32 105.73 2hnb s GLY 86 Ca 0.38 -1.54 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 2hnb s GLY 86 CO 0.14 -1.42 0.27 0.00 0.00 0.00 0.00 173.10 172.09 2hnb s ALA 87 N -3.93 -0.63 -0.08 3.20 0.00 -1.26 -0.82 121.76 118.24 2hnb s ALA 87 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2hnb s ALA 87 Cb 0.07 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2hnb s ALA 87 CO 0.03 -0.26 -0.07 0.42 0.00 0.00 0.00 175.76 175.88 2hnb s ILE 88 N 1.42 0.87 -0.65 0.00 1.01 -0.43 -2.11 121.20 121.31 2hnb s ILE 88 Ca -0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 2hnb s ILE 88 Cb -0.10 -0.88 0.16 0.00 0.01 0.00 0.00 42.46 41.65 2hnb s ILE 88 CO -0.09 0.32 0.58 -0.83 0.00 0.00 0.00 174.94 174.92 2hnb s GLY 89 N 1.35 2.33 0.53 6.18 0.00 0.07 -2.65 107.32 115.13 2hnb s GLY 89 Ca -0.03 -2.89 -0.16 0.00 0.00 0.00 0.00 44.72 41.65 2hnb s GLY 89 CO -0.03 1.20 0.99 -0.42 0.00 0.00 0.00 173.10 174.84 2hnb s ILE 90 N 0.91 4.53 0.00 0.90 1.01 -0.24 -0.93 121.20 127.38 2hnb s ILE 90 Ca 0.10 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.91 2hnb s ILE 90 Cb -0.21 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2hnb s ILE 90 CO -0.02 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.78 2hnb n GLY 91 N -1.71 0.54 3.17 6.18 0.00 -0.91 -0.31 105.19 112.15 2hnb n GLY 91 Ca 0.07 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 3.44 0.20 1.61 7.64 -1.08 -0.93 113.62 124.49 2hnb n SER 92 Ca 0.00 -2.77 0.14 0.00 1.01 0.00 0.00 58.87 57.25 2hnb n SER 92 Cb 0.00 -1.50 0.75 0.00 -1.01 0.00 0.00 64.21 62.45 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 7.63 0.00 0.00 1.43 1.12 -1.89 -0.66 114.38 122.02 2hnb h ARG 93 Ca 0.43 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.30 2hnb h ARG 93 Cb 0.75 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.71 2hnb h ARG 93 CO 1.72 0.00 -0.21 0.39 -3.11 0.00 0.00 179.97 178.75 2hnb n GLU 94 N -4.17 0.08 0.08 0.20 -0.58 -1.26 -4.32 120.64 110.67 2hnb n GLU 94 Ca 0.01 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.67 2hnb n GLU 94 Cb 0.27 -1.57 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 2hnb n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2hnb h TYR 95 N 0.00 -0.22 0.00 -0.32 5.03 -1.36 -3.47 116.97 116.63 2hnb h TYR 95 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2hnb h TYR 95 Cb 0.57 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2hnb h TYR 95 CO 0.00 0.19 0.00 -3.47 -1.32 0.00 0.00 178.16 173.56 2hnb n ASP 96 N -4.98 0.00 -4.53 -2.11 2.03 -1.09 -5.01 116.55 100.86 2hnb n ASP 96 Ca -0.08 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.89 2hnb n ASP 96 Cb 0.26 0.36 -0.12 0.00 -0.72 0.00 0.00 41.12 40.90 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 -1.94 3.80 -1.55 5.18 2.01 -0.04 -5.00 115.64 118.10 2hnb s THR 97 Ca 0.00 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 2hnb s THR 97 Cb 0.00 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2hnb s THR 97 CO 0.00 0.54 2.77 0.49 -0.69 0.00 0.00 174.62 177.73 2hnb n PHE 98 N 3.01 2.57 -4.02 4.92 3.01 -1.26 -4.36 117.46 121.31 2hnb n PHE 98 Ca -0.18 -3.03 -0.26 0.00 1.01 0.00 0.00 57.45 54.99 2hnb n PHE 98 Cb 0.53 -2.37 -0.04 0.00 -0.01 0.00 0.00 39.48 37.59 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hnb n GLY 100 N -2.11 0.22 0.29 0.00 0.00 -1.26 -4.42 105.19 97.91 2hnb n GLY 100 Ca -0.32 -0.57 0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 4.23 1.10 -0.02 4.61 0.00 -1.90 -1.01 119.26 126.27 2hnb h ALA 101 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hnb h ALA 101 Cb 0.73 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2hnb h ALA 101 CO 0.00 0.06 0.01 0.97 0.00 0.00 0.00 179.25 180.29 2hnb h ILE 102 N 0.00 0.88 -0.80 0.00 6.09 -1.88 -3.05 117.51 118.76 2hnb h ILE 102 Ca -0.00 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.52 2hnb h ILE 102 Cb 0.30 0.99 -0.04 0.00 0.47 0.00 0.00 36.82 38.54 2hnb h ILE 102 CO 0.01 0.00 0.52 -0.78 -3.07 0.00 0.00 178.15 174.83 2hnb h ASP 103 N 0.00 0.86 0.30 2.19 3.58 -1.51 -0.43 116.42 121.42 2hnb h ASP 103 Ca 0.01 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2hnb h ASP 103 Cb 0.03 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2hnb h ASP 103 CO -0.00 0.60 -0.15 0.11 -2.88 0.00 0.00 179.24 176.92 2hnb h LYS 104 N 1.00 -0.39 0.08 0.28 1.57 -1.73 -0.79 116.57 116.58 2hnb h LYS 104 Ca 0.31 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2hnb h LYS 104 Cb 0.01 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2hnb h LYS 104 CO -0.09 -0.20 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.49 2hnb h LEU 105 N -0.50 -0.09 -0.29 2.94 3.38 -1.52 -2.84 115.31 116.39 2hnb h LEU 105 Ca -0.04 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2hnb h LEU 105 Cb 0.37 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2hnb h LEU 105 CO 0.07 0.04 -0.39 1.05 0.09 0.00 0.00 178.44 179.30 2hnb h GLU 106 N -0.21 0.78 -0.13 1.13 4.11 -1.11 -3.21 114.58 115.93 2hnb h GLU 106 Ca -0.01 -0.45 -0.13 0.00 0.07 0.00 0.00 59.36 58.84 2hnb h GLU 106 Cb 0.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2hnb h GLU 106 CO 0.02 1.08 -0.48 0.00 0.07 0.00 0.00 179.01 179.69 2hnb h ALA 107 N 0.69 0.92 0.00 1.06 0.00 -1.14 -2.25 119.26 118.55 2hnb h ALA 107 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2hnb h ALA 107 Cb 0.98 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2hnb h ALA 107 CO 0.09 0.66 -0.52 1.49 0.00 0.00 0.00 179.25 180.97 2hnb h GLU 108 N 0.28 0.00 -0.40 0.00 4.57 -1.52 0.11 114.58 117.62 2hnb h GLU 108 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2hnb h GLU 108 Cb 0.96 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2hnb h GLU 108 CO 0.08 0.52 0.11 -0.07 -1.18 0.00 0.00 179.01 178.46 2hnb h LEU 109 N 0.00 0.60 -0.53 1.64 3.38 -1.48 -1.18 115.31 117.74 2hnb h LEU 109 Ca -0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2hnb h LEU 109 Cb 0.93 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2hnb h LEU 109 CO 0.07 0.66 0.34 0.50 0.09 0.00 0.00 178.44 180.10 2hnb h LYS 110 N 0.50 0.67 -0.43 1.13 3.64 -0.78 -0.80 116.57 120.51 2hnb h LYS 110 Ca 0.13 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2hnb h LYS 110 Cb 0.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2hnb h LYS 110 CO -0.00 0.44 -0.11 -0.91 -2.27 0.00 0.00 179.45 176.60 2hnb h ASN 111 N 0.69 0.75 0.54 4.20 2.35 -0.73 -1.30 115.58 122.08 2hnb h ASN 111 Ca 0.20 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2hnb h ASN 111 Cb -0.05 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2hnb h ASN 111 CO -0.06 0.89 0.00 -1.20 -1.65 0.00 0.00 177.43 175.41 2hnb n SER 112 N -4.16 0.43 0.00 5.81 7.64 -0.45 -4.85 113.62 118.03 2hnb n SER 112 Ca 0.01 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2hnb n SER 112 Cb 0.37 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.23 1.18 3.49 0.23 0.00 -0.50 -1.15 105.19 108.21 2hnb n GLY 113 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.27 -0.39 -0.02 4.61 0.00 -0.39 -4.17 121.76 121.12 2hnb s ALA 114 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 2hnb s ALA 114 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2hnb s ALA 114 CO 0.00 -3.85 0.07 0.15 0.00 0.00 0.00 175.76 172.14 2hnb s LYS 115 N -4.61 0.15 0.99 0.00 -0.14 -1.08 -4.22 119.74 110.83 2hnb s LYS 115 Ca 0.68 -0.01 -0.11 0.00 -1.36 0.00 0.00 55.97 55.16 2hnb s LYS 115 Cb -0.23 0.06 0.19 0.00 -1.68 0.00 0.00 37.83 36.18 2hnb s LYS 115 CO 0.63 -0.02 1.09 -1.14 -0.76 0.00 0.00 175.35 175.14 2hnb s GLN 116 N -0.24 0.43 0.03 1.68 0.74 -1.26 -2.23 119.66 118.81 2hnb s GLN 116 Ca -0.03 1.06 0.02 0.00 0.05 0.00 0.00 55.36 56.46 2hnb s GLN 116 Cb -0.02 -1.69 -0.02 0.00 1.10 0.00 0.00 33.01 32.37 2hnb s GLN 116 CO 0.00 -2.88 -0.07 0.99 -0.55 0.00 0.00 175.29 172.78 2hnb s THR 117 N -2.68 0.52 0.00 -0.34 2.01 0.46 -4.73 115.64 110.88 2hnb s THR 117 Ca 0.66 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.73 2hnb s THR 117 Cb -0.22 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2hnb s THR 117 CO 0.60 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2hnb n GLY 118 N 1.72 3.24 3.12 4.40 0.00 -1.26 -4.66 105.19 111.74 2hnb n GLY 118 Ca -0.21 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2hnb n GLY 118 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hnb s GLU 119 N 0.00 0.69 0.81 1.61 2.12 -1.26 -5.04 118.70 117.63 2hnb s GLU 119 Ca 0.00 -1.20 -0.11 0.00 0.36 0.00 0.00 54.97 54.02 2hnb s GLU 119 Cb 0.00 0.24 0.09 0.00 0.26 0.00 0.00 34.13 34.71 2hnb s GLU 119 CO 0.00 -0.16 1.13 0.99 -0.54 0.00 0.00 175.26 176.69 2hnb s THR 120 N -3.92 2.65 0.05 -1.70 2.01 -1.26 -4.78 115.64 108.68 2hnb s THR 120 Ca 0.08 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.37 2hnb s THR 120 Cb 0.07 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 2hnb s THR 120 CO -0.09 -0.26 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.22 2hnb s LEU 121 N -6.00 2.19 0.01 4.42 2.96 -0.90 -5.04 118.68 116.32 2hnb s LEU 121 Ca 0.66 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 2hnb s LEU 121 Cb -0.21 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 2hnb s LEU 121 CO 0.54 0.02 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.79 2hnb s LYS 122 N -1.24 1.95 -0.29 1.98 3.01 -1.26 -0.75 119.74 123.13 2hnb s LYS 122 Ca 0.01 -1.01 -0.03 0.00 -1.01 0.00 0.00 55.97 53.94 2hnb s LYS 122 Cb -0.08 -1.99 0.10 0.00 -1.01 0.00 0.00 37.83 34.84 2hnb s LYS 122 CO 0.01 0.53 0.12 0.42 0.51 0.00 0.00 175.35 176.95 2hnb s ILE 123 N -0.70 0.18 0.14 2.17 1.01 -0.11 -4.93 121.20 118.97 2hnb s ILE 123 Ca 0.11 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 2hnb s ILE 123 Cb -0.10 -1.14 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 2hnb s ILE 123 CO 0.00 -0.69 1.43 0.21 0.00 0.00 0.00 174.94 175.90 2hnb s ASN 124 N 1.97 6.76 0.00 3.58 2.47 -1.26 -2.15 114.94 126.32 2hnb s ASN 124 Ca 0.09 2.41 0.07 0.00 0.42 0.00 0.00 52.86 55.85 2hnb s ASN 124 Cb -0.16 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.05 2hnb s ASN 124 CO -0.32 -0.69 0.55 2.30 -3.72 0.00 0.00 177.10 175.21 2hnb n ILE 125 N 3.84 0.00 -1.92 -5.21 -6.64 -0.11 -3.86 119.36 105.46 2hnb n ILE 125 Ca 0.12 -0.44 -0.40 0.00 -1.77 0.00 0.00 62.75 60.26 2hnb n ILE 125 Cb 0.41 1.09 -0.01 0.00 -1.44 0.00 0.00 39.64 39.70 2hnb n ILE 125 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2hnb n LEU 126 N -0.23 7.99 0.00 7.28 7.94 -1.25 -4.81 117.00 133.92 2hnb n LEU 126 Ca 0.03 -4.78 -0.05 0.00 -1.11 0.00 0.00 56.01 50.10 2hnb n LEU 126 Cb 0.15 -1.41 -0.02 0.00 0.53 0.00 0.00 43.42 42.67 2hnb n LEU 126 CO 0.08 1.97 -0.00 -0.67 -1.11 0.00 0.00 177.39 177.66 2hnb n ASP 127 N 2.30 -0.27 -0.25 1.96 -0.08 -1.26 -4.80 116.55 114.15 2hnb n ASP 127 Ca 0.62 -1.60 -0.01 0.00 -1.51 0.00 0.00 54.79 52.30 2hnb n ASP 127 Cb 0.26 0.56 0.11 0.00 2.34 0.00 0.00 41.12 44.39 2hnb n ASP 127 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 2hnb h HIS 128 N 1.30 0.76 0.00 -0.67 6.17 -1.93 -3.44 115.15 117.34 2hnb h HIS 128 Ca -0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.04 2hnb h HIS 128 Cb 0.34 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.03 2hnb h HIS 128 CO 0.00 0.37 0.00 -3.47 0.71 0.00 0.00 177.93 175.54 2hnb n ASP 129 N -4.74 -0.40 -3.85 3.26 2.03 -1.26 -5.15 116.55 106.44 2hnb n ASP 129 Ca 0.09 0.09 -0.09 0.00 0.52 0.00 0.00 54.79 55.40 2hnb n ASP 129 Cb 0.17 0.79 -0.06 0.00 -0.72 0.00 0.00 41.12 41.30 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 -2.00 0.07 0.97 5.18 -4.36 -1.26 -4.53 121.20 115.28 2hnb s ILE 130 Ca 0.00 -1.12 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 2hnb s ILE 130 Cb 0.00 -1.60 0.17 0.00 1.25 0.00 0.00 42.46 42.28 2hnb s ILE 130 CO 0.00 -0.34 1.09 -2.16 0.24 0.00 0.00 174.94 173.77 2hnb s PRO 131 N -3.91 0.62 0.12 0.37 0.04 -1.25 -4.94 135.00 126.06 2hnb s PRO 131 Ca 0.11 1.07 0.23 0.00 0.04 0.00 0.00 61.00 62.45 2hnb s PRO 131 Cb 0.03 -1.72 0.90 0.00 0.04 0.00 0.00 34.50 33.75 2hnb s PRO 131 CO -0.04 -2.75 1.71 0.39 0.04 0.00 0.00 177.00 176.34 2hnb n GLU 132 N -4.27 0.12 -1.68 4.56 -0.58 -1.26 -4.84 120.64 112.68 2hnb n GLU 132 Ca 0.07 0.24 -0.43 0.00 -0.42 0.00 0.00 57.16 56.62 2hnb n GLU 132 Cb 0.54 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 2hnb n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2hnb n ASP 133 N -1.89 3.89 -4.63 1.62 2.03 -1.26 -4.91 116.55 111.40 2hnb n ASP 133 Ca 0.04 0.99 -0.43 0.00 0.52 0.00 0.00 54.79 55.91 2hnb n ASP 133 Cb 0.28 -1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.15 2hnb n ASP 133 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2hnb s PRO 134 N 2.91 3.87 0.55 -0.67 0.04 -1.26 -4.89 135.00 135.56 2hnb s PRO 134 Ca 0.84 1.35 0.24 0.00 0.04 0.00 0.00 61.00 63.47 2hnb s PRO 134 Cb -0.52 -3.93 1.49 0.00 0.04 0.00 0.00 34.50 31.59 2hnb s PRO 134 CO 0.40 -1.18 2.10 0.00 0.04 0.00 0.00 177.00 178.35 2hnb h ALA 135 N 9.72 2.03 -0.81 8.56 0.00 -1.95 -2.32 119.26 134.49 2hnb h ALA 135 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2hnb h ALA 135 Cb 1.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2hnb h ALA 135 CO 1.03 -0.30 0.50 0.93 0.00 0.00 0.00 179.25 181.41 2hnb h GLU 136 N 0.00 1.10 -0.17 0.00 4.39 -1.99 0.36 114.58 118.28 2hnb h GLU 136 Ca 0.10 -0.10 -0.22 0.00 0.34 0.00 0.00 59.36 59.49 2hnb h GLU 136 Cb 0.47 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2hnb h GLU 136 CO -0.00 0.77 -0.75 1.49 -1.16 0.00 0.00 179.01 179.36 2hnb h GLU 137 N 1.11 0.81 0.02 2.33 4.81 -1.83 -0.58 114.58 121.26 2hnb h GLU 137 Ca 0.29 -0.64 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2hnb h GLU 137 Cb -0.05 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2hnb h GLU 137 CO -0.06 1.25 -0.01 2.35 -0.73 0.00 0.00 179.01 181.81 2hnb h TRP 138 N 0.55 -0.03 -0.66 0.92 7.01 -1.43 -1.24 115.95 121.08 2hnb h TRP 138 Ca -0.05 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.88 2hnb h TRP 138 Cb 1.38 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.42 2hnb h TRP 138 CO 0.09 0.01 0.13 1.25 -2.79 0.00 0.00 178.44 177.12 2hnb h LEU 139 N -0.06 1.02 -0.45 0.65 5.85 -0.87 0.30 115.31 121.76 2hnb h LEU 139 Ca -0.00 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2hnb h LEU 139 Cb 0.05 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2hnb h LEU 139 CO 0.01 1.01 0.17 1.23 -0.34 0.00 0.00 178.44 180.52 2hnb h GLY 140 N 0.99 0.60 1.33 3.75 0.00 -1.02 -0.38 103.07 108.34 2hnb h GLY 140 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2hnb h GLY 140 CO 0.01 0.03 0.11 1.76 0.00 0.00 0.00 176.54 178.46 2hnb h SER 141 N 0.35 0.78 0.12 0.19 0.02 -0.57 -1.11 113.55 113.34 2hnb h SER 141 Ca 0.21 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2hnb h SER 141 Cb 0.19 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2hnb h SER 141 CO -0.20 0.78 -0.06 -0.25 -1.14 0.00 0.00 176.83 175.96 2hnb h TRP 142 N 0.80 -0.15 -0.05 3.45 7.01 -0.25 -3.05 115.95 123.71 2hnb h TRP 142 Ca 0.17 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.09 2hnb h TRP 142 Cb 0.32 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2hnb h TRP 142 CO 0.02 0.16 -0.34 -0.39 -2.79 0.00 0.00 178.44 175.10 2hnb h VAL 143 N -0.46 1.26 0.00 2.65 -1.51 -1.02 -1.22 116.25 115.95 2hnb h VAL 143 Ca -0.02 -1.24 -0.00 0.00 -1.23 0.00 0.00 66.70 64.22 2hnb h VAL 143 Cb 0.37 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2hnb h VAL 143 CO 0.03 0.36 -0.00 -1.13 -1.23 0.00 0.00 177.57 175.60 2hnb h ASN 144 N 0.08 0.00 0.00 4.19 -0.73 -1.11 -0.48 115.58 117.53 2hnb h ASN 144 Ca 0.01 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.83 2hnb h ASN 144 Cb 0.64 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.17 2hnb h ASN 144 CO 0.05 0.00 -2.31 0.18 -0.37 0.00 0.00 177.43 174.98 2hnb n LEU 145 N -3.10 1.87 -0.09 0.34 4.77 -0.85 -4.60 117.00 115.34 2hnb n LEU 145 Ca -0.02 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.81 2hnb n LEU 145 Cb 0.11 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 40.98 2hnb n LEU 145 CO 0.21 0.73 0.78 0.17 -1.33 0.00 0.00 177.39 177.95 2hnb h LEU 146 N 0.00 0.76 0.00 2.23 8.10 -0.85 -3.48 115.31 122.07 2hnb h LEU 146 Ca -0.52 -0.24 0.00 0.00 0.11 0.00 0.00 57.88 57.24 2hnb h LEU 146 Cb 1.93 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 41.95 2hnb h LEU 146 CO -0.04 0.91 0.00 0.29 -4.11 0.00 0.00 178.44 175.49