#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb s ALA 2 N 0.00 -0.27 0.00 -5.12 0.00 -1.26 -4.43 121.76 110.68 2hnb s ALA 2 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2hnb s ALA 2 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2hnb s ALA 2 CO 0.00 -0.42 0.00 -3.47 0.00 0.00 0.00 175.76 171.87 2hnb n ASP 3 N 0.35 0.00 -3.59 0.00 2.03 -0.37 -4.90 116.55 110.07 2hnb n ASP 3 Ca -0.17 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.86 2hnb n ASP 3 Cb 0.60 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.89 2hnb n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hnb s ILE 4 N -0.52 1.16 -0.31 5.18 1.01 -0.27 -4.61 121.20 122.84 2hnb s ILE 4 Ca 0.00 -2.89 -0.29 0.00 0.00 0.00 0.00 60.65 57.47 2hnb s ILE 4 Cb 0.00 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.69 2hnb s ILE 4 CO 0.00 -1.07 1.16 -0.89 0.00 0.00 0.00 174.94 174.14 2hnb s THR 5 N -0.10 4.37 0.57 2.92 2.01 -1.13 -3.69 115.64 120.59 2hnb s THR 5 Ca 0.26 1.57 -0.16 0.00 0.31 0.00 0.00 61.69 63.66 2hnb s THR 5 Cb -0.08 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2hnb s THR 5 CO -0.12 -0.47 1.04 -0.76 -0.69 0.00 0.00 174.62 173.62 2hnb s LEU 6 N 3.90 3.56 -0.35 4.42 1.02 0.88 -2.93 118.68 129.17 2hnb s LEU 6 Ca 0.50 1.76 0.02 0.00 0.02 0.00 0.00 54.13 56.43 2hnb s LEU 6 Cb -0.14 -4.53 0.11 0.00 0.02 0.00 0.00 46.19 41.65 2hnb s LEU 6 CO 0.18 -0.99 0.11 -0.63 0.02 0.00 0.00 176.35 175.04 2hnb s ILE 7 N -2.46 1.58 0.58 -0.59 1.01 0.19 -1.12 121.20 120.39 2hnb s ILE 7 Ca 0.63 -2.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.10 2hnb s ILE 7 Cb -0.15 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2hnb s ILE 7 CO 0.34 -0.69 1.02 -0.44 0.00 0.00 0.00 174.94 175.17 2hnb s SER 8 N 1.05 6.25 -0.35 3.58 0.01 0.32 -0.87 113.70 123.68 2hnb s SER 8 Ca 0.12 1.55 -0.05 0.00 1.31 0.00 0.00 55.95 58.88 2hnb s SER 8 Cb -0.20 -2.50 0.19 0.00 0.21 0.00 0.00 66.02 63.72 2hnb s SER 8 CO -0.14 -0.85 0.94 -0.83 0.41 0.00 0.00 173.24 172.78 2hnb s GLY 9 N -3.49 -1.48 -0.20 3.44 0.00 -0.86 -1.12 107.32 103.61 2hnb s GLY 9 Ca 0.58 1.00 -0.10 0.00 0.00 0.00 0.00 44.72 46.19 2hnb s GLY 9 CO 0.42 4.14 0.48 -1.35 0.00 0.00 0.00 173.10 176.80 2hnb s SER 10 N 1.92 -0.60 0.33 1.64 1.04 -1.26 -2.42 113.70 114.35 2hnb s SER 10 Ca 0.15 1.08 0.08 0.00 0.48 0.00 0.00 55.95 57.74 2hnb s SER 10 Cb 0.01 1.06 0.59 0.00 0.10 0.00 0.00 66.02 67.78 2hnb s SER 10 CO -0.13 -0.21 1.78 0.71 0.98 0.00 0.00 173.24 176.38 2hnb h THR 11 N 5.53 1.26 0.00 2.02 1.35 -1.99 -2.69 112.91 118.40 2hnb h THR 11 Ca -0.31 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2hnb h THR 11 Cb 1.18 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2hnb h THR 11 CO 0.23 0.38 0.00 0.18 -0.25 0.00 0.00 175.52 176.06 2hnb n LEU 12 N -4.12 0.59 -0.33 3.87 4.77 -1.26 -4.90 117.00 115.62 2hnb n LEU 12 Ca -0.01 0.65 -0.04 0.00 -0.03 0.00 0.00 56.01 56.58 2hnb n LEU 12 Cb 0.40 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2hnb n LEU 12 CO 0.40 -0.54 -0.04 0.61 -1.33 0.00 0.00 177.39 176.49 2hnb n GLY 13 N -0.06 0.67 0.13 -0.72 0.00 -1.02 -4.92 105.19 99.27 2hnb n GLY 13 Ca 0.02 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2hnb n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hnb h GLY 14 N 0.00 0.36 1.22 -0.02 0.00 -1.91 -3.03 103.07 99.68 2hnb h GLY 14 Ca -0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 47.33 46.26 2hnb h GLY 14 CO 0.13 0.80 0.04 0.00 0.00 0.00 0.00 176.54 177.51 2hnb h ALA 15 N 0.24 1.00 -0.04 3.60 0.00 -1.89 -0.38 119.26 121.79 2hnb h ALA 15 Ca -0.34 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 2hnb h ALA 15 Cb 2.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2hnb h ALA 15 CO 0.15 0.62 -0.70 1.05 0.00 0.00 0.00 179.25 180.37 2hnb h GLU 16 N 0.89 0.20 -0.35 0.00 4.11 -1.91 0.11 114.58 117.62 2hnb h GLU 16 Ca 0.17 -0.16 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 2hnb h GLU 16 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2hnb h GLU 16 CO 0.02 0.82 0.07 -0.92 0.07 0.00 0.00 179.01 179.06 2hnb h TYR 17 N 0.13 0.61 -0.35 2.06 3.20 -1.36 -1.37 116.97 119.91 2hnb h TYR 17 Ca -0.02 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2hnb h TYR 17 Cb 1.25 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2hnb h TYR 17 CO 0.02 0.63 0.21 0.28 -1.64 0.00 0.00 178.16 177.66 2hnb h VAL 18 N 0.42 1.11 -1.00 1.81 2.07 -0.98 -2.99 116.25 116.69 2hnb h VAL 18 Ca 0.11 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2hnb h VAL 18 Cb 0.34 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2hnb h VAL 18 CO 0.01 0.11 0.65 0.00 0.02 0.00 0.00 177.57 178.35 2hnb h ALA 19 N 1.09 1.38 -0.67 1.67 0.00 -0.47 -0.28 119.26 121.98 2hnb h ALA 19 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2hnb h ALA 19 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2hnb h ALA 19 CO -0.02 0.50 0.39 1.49 0.00 0.00 0.00 179.25 181.61 2hnb h GLU 20 N 1.22 0.93 -0.22 0.00 4.81 -1.12 0.76 114.58 120.96 2hnb h GLU 20 Ca 0.41 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.39 2hnb h GLU 20 Cb 0.07 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2hnb h GLU 20 CO -0.14 0.67 -0.47 0.45 -0.73 0.00 0.00 179.01 178.79 2hnb h HIS 21 N 0.92 0.89 -0.53 0.92 3.86 -1.20 -1.07 115.15 118.94 2hnb h HIS 21 Ca 0.24 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2hnb h HIS 21 Cb -0.00 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 2hnb h HIS 21 CO -0.01 1.12 0.32 -0.07 0.86 0.00 0.00 177.93 180.15 2hnb h LEU 22 N 0.42 0.64 -0.50 2.43 3.38 -0.95 -1.81 115.31 118.92 2hnb h LEU 22 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2hnb h LEU 22 Cb 1.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2hnb h LEU 22 CO 0.10 0.51 0.25 0.00 0.09 0.00 0.00 178.44 179.40 2hnb h ALA 23 N 1.16 0.64 -0.59 1.53 0.00 -0.75 -0.99 119.26 120.25 2hnb h ALA 23 Ca 0.19 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2hnb h ALA 23 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2hnb h ALA 23 CO -0.04 0.19 0.35 1.49 0.00 0.00 0.00 179.25 181.24 2hnb h GLU 24 N 0.66 0.65 -0.76 0.00 4.81 -0.94 0.04 114.58 119.05 2hnb h GLU 24 Ca 0.17 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2hnb h GLU 24 Cb 0.09 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2hnb h GLU 24 CO -0.02 0.43 0.34 0.87 -0.73 0.00 0.00 179.01 179.90 2hnb h LYS 25 N 0.67 1.12 -0.66 1.92 1.57 -0.92 -0.62 116.57 119.65 2hnb h LYS 25 Ca 0.25 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2hnb h LYS 25 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2hnb h LYS 25 CO -0.13 0.89 0.22 -0.07 -0.57 0.00 0.00 179.45 179.78 2hnb h LEU 26 N 1.09 0.95 -0.61 2.94 3.38 -0.56 -0.65 115.31 121.86 2hnb h LEU 26 Ca 0.26 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2hnb h LEU 26 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2hnb h LEU 26 CO -0.03 0.90 -0.00 -0.33 0.09 0.00 0.00 178.44 179.07 2hnb h GLU 27 N 0.95 1.07 -0.42 1.13 5.08 -0.63 -0.95 114.58 120.82 2hnb h GLU 27 Ca 0.21 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2hnb h GLU 27 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2hnb h GLU 27 CO -0.01 1.05 -0.01 0.93 -1.00 0.00 0.00 179.01 179.97 2hnb h GLU 28 N 0.97 0.68 0.00 2.33 4.39 -0.95 -2.02 114.58 119.98 2hnb h GLU 28 Ca 0.17 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2hnb h GLU 28 Cb 0.57 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2hnb h GLU 28 CO 0.03 0.71 -0.08 0.00 -1.16 0.00 0.00 179.01 178.51 2hnb h ALA 29 N 1.35 1.03 0.00 3.43 0.00 -0.70 -3.47 119.26 120.90 2hnb h ALA 29 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hnb h ALA 29 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hnb h ALA 29 CO 0.02 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2hnb n GLY 30 N -0.05 1.02 3.91 0.00 0.00 -0.54 -5.08 105.19 104.45 2hnb n GLY 30 Ca 0.00 0.00 -0.30 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 1.35 0.11 1.61 0.08 -0.47 -4.97 117.98 113.68 2hnb s PHE 31 Ca 0.00 0.28 0.08 0.00 0.12 0.00 0.00 56.93 57.41 2hnb s PHE 31 Cb 0.00 -4.14 -0.04 0.00 -0.57 0.00 0.00 43.02 38.27 2hnb s PHE 31 CO 0.00 -2.85 -0.21 0.95 -0.10 0.00 0.00 175.22 173.01 2hnb s THR 32 N -3.86 1.75 0.23 0.64 -4.23 -1.26 -4.14 115.64 104.77 2hnb s THR 32 Ca 0.75 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2hnb s THR 32 Cb -0.03 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 2hnb s THR 32 CO 0.54 -0.07 0.12 0.42 -0.54 0.00 0.00 174.62 175.09 2hnb s THR 33 N -1.21 0.25 0.14 3.99 -4.23 -1.26 -1.11 115.64 112.21 2hnb s THR 33 Ca 0.07 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 2hnb s THR 33 Cb -0.10 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.20 2hnb s THR 33 CO 0.04 0.00 0.38 -0.70 -0.54 0.00 0.00 174.62 173.80 2hnb s GLU 34 N -4.09 1.12 -0.29 3.99 2.56 -1.24 -4.59 118.70 116.15 2hnb s GLU 34 Ca 0.38 -0.85 0.00 0.00 0.00 0.00 0.00 54.97 54.50 2hnb s GLU 34 Cb 0.07 0.45 0.09 0.00 2.00 0.00 0.00 34.13 36.74 2hnb s GLU 34 CO 0.13 -0.43 0.06 0.95 -0.56 0.00 0.00 175.26 175.41 2hnb s THR 35 N -3.85 1.16 0.50 -1.70 -4.23 -1.26 -0.08 115.64 106.17 2hnb s THR 35 Ca 0.07 -1.45 -0.17 0.00 -1.18 0.00 0.00 61.69 58.95 2hnb s THR 35 Cb 0.02 -1.79 -0.08 0.00 1.34 0.00 0.00 72.50 71.98 2hnb s THR 35 CO -0.08 -0.54 0.98 -0.76 -0.54 0.00 0.00 174.62 173.67 2hnb s LEU 36 N 1.49 3.69 -0.29 4.79 1.43 -0.28 -4.94 118.68 124.57 2hnb s LEU 36 Ca 0.07 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2hnb s LEU 36 Cb -0.18 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.62 2hnb s LEU 36 CO -0.18 -0.54 0.06 -1.00 0.23 0.00 0.00 176.35 174.92 2hnb s HIS 37 N -2.53 2.17 -1.20 0.29 3.76 -1.26 -0.52 115.29 116.00 2hnb s HIS 37 Ca 0.59 -1.92 -0.03 0.00 -0.15 0.00 0.00 55.06 53.56 2hnb s HIS 37 Cb -0.10 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 2hnb s HIS 37 CO 0.28 -0.85 0.88 0.41 -0.85 0.00 0.00 174.74 174.60 2hnb n GLY 38 N 4.72 -0.55 3.53 -2.22 0.00 -0.27 -4.99 105.19 105.40 2hnb n GLY 38 Ca -0.03 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.39 -1.17 0.22 1.61 0.04 -1.26 -4.78 135.00 124.27 2hnb s PRO 39 Ca 0.13 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.50 2hnb s PRO 39 Cb -0.03 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.89 2hnb s PRO 39 CO 0.77 -3.75 -0.06 -0.51 0.04 0.00 0.00 177.00 173.49 2hnb s LEU 40 N -7.08 2.38 0.52 -3.56 1.43 -1.26 -4.55 118.68 106.56 2hnb s LEU 40 Ca 0.69 -1.14 0.24 0.00 -1.03 0.00 0.00 54.13 52.88 2hnb s LEU 40 Cb -0.16 -0.43 1.36 0.00 0.03 0.00 0.00 46.19 46.99 2hnb s LEU 40 CO 0.59 -0.39 2.00 0.25 0.23 0.00 0.00 176.35 179.02 2hnb h LEU 41 N 2.50 0.04 -0.28 1.79 6.46 -1.90 -0.93 115.31 122.99 2hnb h LEU 41 Ca -0.38 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 2hnb h LEU 41 Cb 1.22 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 2hnb h LEU 41 CO 0.65 0.02 0.00 -0.62 -0.62 0.00 0.00 178.44 177.87 2hnb n GLU 42 N -4.39 0.04 -0.29 1.25 -0.58 -1.26 -2.55 120.64 112.86 2hnb n GLU 42 Ca 0.10 0.44 0.01 0.00 -0.42 0.00 0.00 57.16 57.28 2hnb n GLU 42 Cb 0.58 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 29.86 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 -1.69 0.38 -3.65 1.62 2.03 -0.37 -5.02 116.55 109.85 2hnb n ASP 43 Ca 0.01 -1.87 -0.29 0.00 0.52 0.00 0.00 54.79 53.16 2hnb n ASP 43 Cb 0.08 -0.16 -0.15 0.00 -0.72 0.00 0.00 41.12 40.16 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2hnb s LEU 44 N -0.39 1.42 0.82 -2.67 1.98 -1.06 -4.91 118.68 113.88 2hnb s LEU 44 Ca 0.04 -1.41 -0.11 0.00 -2.89 0.00 0.00 54.13 49.75 2hnb s LEU 44 Cb 0.03 -0.62 0.08 0.00 0.66 0.00 0.00 46.19 46.35 2hnb s LEU 44 CO 0.00 -0.42 1.09 -2.16 -1.89 0.00 0.00 176.35 172.98 2hnb s PRO 45 N 1.84 1.87 0.00 0.98 0.04 -1.26 -4.79 135.00 133.68 2hnb s PRO 45 Ca 0.08 0.71 0.05 0.00 0.04 0.00 0.00 61.00 61.89 2hnb s PRO 45 Cb -0.17 -1.89 0.33 0.00 0.04 0.00 0.00 34.50 32.81 2hnb s PRO 45 CO -0.28 -1.79 0.89 0.00 0.04 0.00 0.00 177.00 175.86 2hnb n ALA 46 N -3.56 2.16 -3.27 8.56 0.00 -1.26 -4.66 120.51 118.48 2hnb n ALA 46 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2hnb n ALA 46 Cb 0.56 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.54 -0.36 0.00 0.00 0.01 -1.26 -2.84 113.70 107.70 2hnb s SER 47 Ca 0.08 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2hnb s SER 47 Cb 0.04 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2hnb s SER 47 CO 0.06 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2hnb n GLY 48 N 2.98 0.28 3.03 3.44 0.00 -1.22 -4.88 105.19 108.83 2hnb n GLY 48 Ca -0.14 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.71 2.31 0.38 -0.61 1.01 -1.26 -1.47 121.20 119.85 2hnb s ILE 49 Ca 0.00 -2.21 0.08 0.00 0.00 0.00 0.00 60.65 58.52 2hnb s ILE 49 Cb 0.00 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 2hnb s ILE 49 CO 0.00 -0.50 0.11 0.26 0.00 0.00 0.00 174.94 174.80 2hnb s TRP 50 N 0.95 2.60 -0.29 3.97 0.23 -0.80 -2.82 118.94 122.77 2hnb s TRP 50 Ca 0.07 -0.52 -0.00 0.00 -2.03 0.00 0.00 56.10 53.62 2hnb s TRP 50 Cb -0.19 -1.75 0.14 0.00 0.03 0.00 0.00 33.47 31.69 2hnb s TRP 50 CO -0.07 0.32 0.31 -1.17 0.96 0.00 0.00 176.95 177.29 2hnb s LEU 51 N -3.82 -0.30 0.19 2.99 2.96 -1.15 -2.32 118.68 117.23 2hnb s LEU 51 Ca 0.38 -0.68 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 2hnb s LEU 51 Cb 0.02 0.58 -0.08 0.00 0.50 0.00 0.00 46.19 47.21 2hnb s LEU 51 CO 0.21 -0.38 0.78 -0.69 -1.32 0.00 0.00 176.35 174.95 2hnb s VAL 52 N 2.38 4.39 -0.04 1.68 1.01 0.24 -0.64 120.40 129.42 2hnb s VAL 52 Ca 0.09 1.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.71 2hnb s VAL 52 Cb -0.14 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2hnb s VAL 52 CO -0.32 0.42 -0.01 -0.63 0.00 0.00 0.00 175.10 174.57 2hnb s ILE 53 N -1.28 0.29 -0.05 2.22 1.01 -0.05 -1.33 121.20 122.02 2hnb s ILE 53 Ca 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 2hnb s ILE 53 Cb -0.21 -0.40 0.03 0.00 0.01 0.00 0.00 42.46 41.89 2hnb s ILE 53 CO 0.25 0.20 0.10 -0.44 0.00 0.00 0.00 174.94 175.04 2hnb s SER 54 N 1.32 -0.04 1.03 3.58 0.01 -0.64 -2.03 113.70 116.94 2hnb s SER 54 Ca -0.05 0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.27 2hnb s SER 54 Cb -0.13 0.09 0.21 0.00 0.21 0.00 0.00 66.02 66.39 2hnb s SER 54 CO -0.02 -0.13 1.08 -0.44 0.41 0.00 0.00 173.24 174.13 2hnb s SER 55 N 1.05 2.29 -0.03 2.44 0.01 -1.01 -1.37 113.70 117.08 2hnb s SER 55 Ca -0.08 1.31 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 2hnb s SER 55 Cb -0.11 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.13 2hnb s SER 55 CO -0.04 -3.36 0.06 -0.89 0.41 0.00 0.00 173.24 169.42 2hnb s THR 56 N -2.83 -0.03 0.04 1.44 2.01 0.55 -4.20 115.64 112.61 2hnb s THR 56 Ca 0.66 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.81 2hnb s THR 56 Cb -0.20 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 2hnb s THR 56 CO 0.59 0.04 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.42 2hnb s HIS 57 N 0.57 1.27 0.00 4.92 3.76 -0.47 -4.45 115.29 120.89 2hnb s HIS 57 Ca -0.05 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2hnb s HIS 57 Cb -0.06 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.88 2hnb s HIS 57 CO -0.02 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 2hnb n GLY 58 N 1.83 0.51 0.67 -2.22 0.00 -1.26 -1.13 105.19 103.59 2hnb n GLY 58 Ca -0.18 0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.42 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 5.36 2.45 0.00 4.61 0.00 -1.26 -2.94 120.51 128.73 2hnb n ALA 59 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2hnb n ALA 59 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.61 3.60 0.00 0.00 -0.28 -4.92 105.19 106.29 2hnb n GLY 60 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2hnb n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hnb s ASP 61 N -2.00 6.13 0.48 1.61 2.15 -0.53 -4.68 116.67 119.83 2hnb s ASP 61 Ca 0.00 1.14 -0.20 0.00 0.43 0.00 0.00 52.55 53.92 2hnb s ASP 61 Cb 0.00 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 2hnb s ASP 61 CO 0.00 -1.54 1.04 0.27 -0.17 0.00 0.00 175.17 174.77 2hnb s ILE 62 N 6.09 3.78 0.41 4.11 -4.36 -1.26 -1.37 121.20 128.61 2hnb s ILE 62 Ca 0.71 1.12 -0.25 0.00 -0.26 0.00 0.00 60.65 61.98 2hnb s ILE 62 Cb -0.19 -3.46 -0.08 0.00 1.25 0.00 0.00 42.46 39.98 2hnb s ILE 62 CO 0.33 -0.23 1.16 -2.16 0.24 0.00 0.00 174.94 174.27 2hnb s PRO 63 N -3.20 4.00 0.65 0.37 0.04 -1.26 -4.62 135.00 130.98 2hnb s PRO 63 Ca 0.67 1.79 0.36 0.00 0.04 0.00 0.00 61.00 63.86 2hnb s PRO 63 Cb -0.17 -2.60 1.99 0.00 0.04 0.00 0.00 34.50 33.76 2hnb s PRO 63 CO 0.20 -0.36 2.15 0.22 0.04 0.00 0.00 177.00 179.25 2hnb h ASP 64 N 2.48 0.00 0.31 6.66 3.58 -1.97 0.40 116.42 127.88 2hnb h ASP 64 Ca -0.49 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.86 2hnb h ASP 64 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2hnb h ASP 64 CO 0.62 0.00 -0.43 -1.13 -2.88 0.00 0.00 179.24 175.42 2hnb h ASN 65 N 0.00 0.17 0.00 2.28 -1.24 -1.92 -3.39 115.58 111.48 2hnb h ASN 65 Ca 0.02 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.96 2hnb h ASN 65 Cb 0.35 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2hnb h ASN 65 CO -0.00 0.58 -0.81 -0.11 -1.29 0.00 0.00 177.43 175.80 2hnb n LEU 66 N -4.02 0.00 -0.04 0.34 7.94 -0.25 -4.30 117.00 116.67 2hnb n LEU 66 Ca -0.02 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.08 2hnb n LEU 66 Cb 0.48 0.00 0.66 0.00 0.53 0.00 0.00 43.42 45.08 2hnb n LEU 66 CO 0.41 0.00 1.19 0.77 -1.11 0.00 0.00 177.39 178.65 2hnb h SER 67 N 0.00 0.08 -0.45 1.96 4.64 -1.18 0.02 113.55 118.61 2hnb h SER 67 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2hnb h SER 67 Cb 0.43 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2hnb h SER 67 CO 0.00 0.04 0.46 -0.65 -0.87 0.00 0.00 176.83 175.81 2hnb h PRO 68 N 0.08 0.00 -0.80 4.77 0.11 -1.85 -1.05 132.00 133.26 2hnb h PRO 68 Ca 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 2hnb h PRO 68 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2hnb h PRO 68 CO -0.02 0.00 0.40 0.35 -0.21 0.00 0.00 178.00 178.51 2hnb h PHE 69 N 0.00 1.15 -0.59 0.65 3.57 -1.22 -0.24 116.94 120.26 2hnb h PHE 69 Ca 0.21 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2hnb h PHE 69 Cb 1.14 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2hnb h PHE 69 CO 0.00 0.83 0.16 -0.92 -2.23 0.00 0.00 178.31 176.14 2hnb h TYR 70 N 1.13 0.93 -0.25 0.41 3.20 -1.35 0.28 116.97 121.32 2hnb h TYR 70 Ca 0.28 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2hnb h TYR 70 Cb 0.10 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2hnb h TYR 70 CO 0.01 0.76 -0.14 0.93 -1.64 0.00 0.00 178.16 178.08 2hnb h GLU 71 N 0.87 0.53 -0.58 1.82 5.08 -1.38 -1.82 114.58 119.09 2hnb h GLU 71 Ca 0.19 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2hnb h GLU 71 Cb 0.29 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2hnb h GLU 71 CO -0.00 0.80 0.12 0.00 -1.00 0.00 0.00 179.01 178.93 2hnb h ALA 72 N 0.71 0.77 -0.06 3.43 0.00 -0.82 -1.51 119.26 121.78 2hnb h ALA 72 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2hnb h ALA 72 Cb 0.66 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hnb h ALA 72 CO 0.04 0.50 0.03 -0.07 0.00 0.00 0.00 179.25 179.75 2hnb h LEU 73 N 0.85 0.07 -0.89 0.00 3.38 -0.91 -1.49 115.31 116.33 2hnb h LEU 73 Ca 0.18 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2hnb h LEU 73 Cb 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2hnb h LEU 73 CO 0.01 0.12 -0.50 0.06 0.09 0.00 0.00 178.44 178.21 2hnb h GLN 74 N 0.02 0.00 -0.31 1.13 3.07 -1.25 0.15 115.11 117.92 2hnb h GLN 74 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.67 2hnb h GLN 74 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2hnb h GLN 74 CO -0.00 0.50 -0.15 1.49 0.09 0.00 0.00 178.83 180.76 2hnb h GLU 75 N 0.00 0.65 0.00 0.06 4.81 -1.07 -3.37 114.58 115.65 2hnb h GLU 75 Ca -0.01 -0.28 -0.38 0.00 -0.13 0.00 0.00 59.36 58.56 2hnb h GLU 75 Cb 0.97 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.27 2hnb h GLU 75 CO 0.07 0.87 -2.39 1.04 -0.73 0.00 0.00 179.01 177.86 2hnb n GLN 76 N -4.38 0.67 -3.78 1.92 6.02 -0.58 -5.02 117.38 112.23 2hnb n GLN 76 Ca -0.03 0.08 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 2hnb n GLN 76 Cb 0.38 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 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 -3.02 -0.72 -1.23 -1.09 4.81 0.52 -4.94 118.16 112.49 2hnb n LYS 77 Ca -0.38 -0.16 -0.29 0.00 -0.87 0.00 0.00 58.31 56.60 2hnb n LYS 77 Cb 1.07 -1.03 0.21 0.00 0.02 0.00 0.00 35.03 35.30 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hnb s PRO 78 N -5.98 -0.36 -1.24 1.64 0.04 -1.26 -4.90 135.00 122.93 2hnb s PRO 78 Ca 0.18 0.09 -0.16 0.00 0.04 0.00 0.00 61.00 61.15 2hnb s PRO 78 Cb -0.10 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2hnb s PRO 78 CO 0.49 -3.17 2.15 -0.40 0.04 0.00 0.00 177.00 176.11 2hnb n ASP 79 N -4.41 3.57 -0.45 6.66 5.75 -1.26 -4.67 116.55 121.73 2hnb n ASP 79 Ca 0.10 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 2hnb n ASP 79 Cb 0.59 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 2hnb n ASP 79 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hnb n LEU 80 N 6.45 0.64 -0.11 -2.12 4.77 -0.41 -4.58 117.00 121.64 2hnb n LEU 80 Ca 0.52 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2hnb n LEU 80 Cb 0.39 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2hnb n LEU 80 CO 0.94 0.16 0.00 -1.20 -1.33 0.00 0.00 177.39 175.96 2hnb n SER 81 N 0.09 0.00 0.00 -1.43 7.64 -1.22 -1.38 113.62 117.33 2hnb n SER 81 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2hnb n SER 81 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.18 0.44 -2.33 -0.43 0.00 -1.20 -4.81 120.51 111.99 2hnb n ALA 82 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2hnb n ALA 82 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 3.95 -0.18 0.00 1.01 -0.48 -3.46 120.40 121.24 2hnb s VAL 83 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2hnb s VAL 83 Cb 0.00 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2hnb s VAL 83 CO 0.00 0.15 -0.17 -0.60 0.00 0.00 0.00 175.10 174.48 2hnb s ARG 84 N 0.72 3.09 0.29 2.72 3.00 -0.54 -1.83 118.95 126.39 2hnb s ARG 84 Ca 0.57 -0.79 0.03 0.00 -1.00 0.00 0.00 55.73 54.54 2hnb s ARG 84 Cb -0.30 -2.64 -0.06 0.00 0.00 0.00 0.00 34.95 31.95 2hnb s ARG 84 CO 0.31 -0.16 0.05 -0.59 0.00 0.00 0.00 175.30 174.91 2hnb s PHE 85 N 1.22 1.76 0.23 5.12 -0.71 -0.62 -1.91 117.98 123.08 2hnb s PHE 85 Ca 0.03 -1.01 0.06 0.00 -1.04 0.00 0.00 56.93 54.97 2hnb s PHE 85 Cb -0.14 -1.09 -0.05 0.00 -1.21 0.00 0.00 43.02 40.53 2hnb s PHE 85 CO -0.09 -0.09 -0.08 0.20 -1.34 0.00 0.00 175.22 173.82 2hnb s GLY 86 N -3.40 1.56 -0.09 1.99 0.00 -0.98 -1.46 107.32 104.94 2hnb s GLY 86 Ca 0.35 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 43.25 2hnb s GLY 86 CO 0.14 -1.75 0.23 0.00 0.00 0.00 0.00 173.10 171.71 2hnb s ALA 87 N -3.11 -0.55 -0.05 3.20 0.00 -1.26 -0.59 121.76 119.41 2hnb s ALA 87 Ca 0.25 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.93 2hnb s ALA 87 Cb 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2hnb s ALA 87 CO 0.08 -0.13 -0.03 0.42 0.00 0.00 0.00 175.76 176.10 2hnb s ILE 88 N 0.39 0.49 0.01 0.00 1.01 -0.44 -1.82 121.20 120.84 2hnb s ILE 88 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 2hnb s ILE 88 Cb -0.04 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2hnb s ILE 88 CO -0.02 0.23 0.11 -0.83 0.00 0.00 0.00 174.94 174.43 2hnb s GLY 89 N 1.13 2.06 0.02 6.18 0.00 -0.24 -1.62 107.32 114.86 2hnb s GLY 89 Ca -0.08 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2hnb s GLY 89 CO -0.01 -0.76 -0.06 -0.42 0.00 0.00 0.00 173.10 171.85 2hnb s ILE 90 N -1.25 0.38 0.00 0.90 1.01 -0.47 -1.20 121.20 120.57 2hnb s ILE 90 Ca 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2hnb s ILE 90 Cb -0.12 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2hnb s ILE 90 CO 0.16 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.44 2hnb n GLY 91 N 1.93 1.37 3.60 6.18 0.00 -1.16 -0.33 105.19 116.77 2hnb n GLY 91 Ca -0.20 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 6.64 0.00 1.61 0.01 -1.26 -1.48 113.70 119.21 2hnb s SER 92 Ca 0.00 0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.79 2hnb s SER 92 Cb 0.00 -2.52 0.41 0.00 0.21 0.00 0.00 66.02 64.12 2hnb s SER 92 CO 0.00 -1.13 0.97 -2.11 0.41 0.00 0.00 173.24 171.39 2hnb n ARG 93 N 7.47 0.18 -0.23 12.44 1.85 -1.26 -3.10 116.66 134.01 2hnb n ARG 93 Ca 0.10 0.09 -0.07 0.00 -1.00 0.00 0.00 57.85 56.97 2hnb n ARG 93 Cb 0.49 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.43 2hnb n ARG 93 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2hnb h GLU 94 N 0.00 0.97 -7.21 2.89 4.57 -1.92 -3.43 114.58 110.45 2hnb h GLU 94 Ca 0.00 -0.19 -0.49 0.00 -1.18 0.00 0.00 59.36 57.50 2hnb h GLU 94 Cb 0.03 -0.15 0.06 0.00 -0.16 0.00 0.00 28.75 28.53 2hnb h GLU 94 CO 0.00 0.84 0.38 1.52 -1.18 0.00 0.00 179.01 180.56 2hnb s TYR 95 N -5.48 3.09 0.43 0.92 -0.85 -1.18 -4.95 117.35 109.34 2hnb s TYR 95 Ca -0.13 1.49 0.15 0.00 -0.52 0.00 0.00 57.07 58.06 2hnb s TYR 95 Cb 0.13 -2.95 1.04 0.00 0.38 0.00 0.00 41.96 40.56 2hnb s TYR 95 CO 0.81 -0.99 1.96 0.22 -1.52 0.00 0.00 175.55 176.03 2hnb h ASP 96 N 0.40 0.37 -0.57 -0.18 3.58 -1.85 -1.59 116.42 116.58 2hnb h ASP 96 Ca -0.46 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2hnb h ASP 96 Cb 1.21 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2hnb h ASP 96 CO 0.58 0.22 0.00 0.41 -2.88 0.00 0.00 179.24 177.57 2hnb n THR 97 N -4.47 1.03 0.00 2.25 -1.04 -1.15 -4.95 114.28 105.95 2hnb n THR 97 Ca 0.11 -0.85 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 2hnb n THR 97 Cb 0.43 0.28 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 2hnb n THR 97 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2hnb n PHE 98 N 1.12 0.00 -2.77 -1.42 -1.74 -0.60 -0.84 117.46 111.21 2hnb n PHE 98 Ca 0.20 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 57.10 2hnb n PHE 98 Cb 0.59 0.00 0.05 0.00 1.52 0.00 0.00 39.48 41.63 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2hnb n GLY 100 N -0.40 -0.11 0.28 0.00 0.00 -0.02 -4.37 105.19 100.56 2hnb n GLY 100 Ca 0.06 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 2.07 1.00 -0.39 4.61 0.00 -1.82 -1.01 119.26 123.72 2hnb h ALA 101 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2hnb h ALA 101 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2hnb h ALA 101 CO 0.00 0.00 0.34 0.97 0.00 0.00 0.00 179.25 180.56 2hnb h ILE 102 N 0.00 0.56 -0.90 0.00 6.09 -1.82 -2.65 117.51 118.78 2hnb h ILE 102 Ca 0.00 0.00 0.20 0.00 -1.37 0.00 0.00 64.86 63.69 2hnb h ILE 102 Cb 0.24 0.74 -0.07 0.00 0.47 0.00 0.00 36.82 38.21 2hnb h ILE 102 CO 0.00 0.00 0.59 -0.78 -3.07 0.00 0.00 178.15 174.89 2hnb h ASP 103 N 0.00 0.45 0.29 2.19 3.58 -1.54 -0.70 116.42 120.69 2hnb h ASP 103 Ca 0.18 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2hnb h ASP 103 Cb 0.86 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2hnb h ASP 103 CO -0.00 0.18 -0.14 0.11 -2.88 0.00 0.00 179.24 176.51 2hnb h LYS 104 N 0.45 -0.37 -0.12 0.28 1.57 -1.71 -2.32 116.57 114.35 2hnb h LYS 104 Ca 0.47 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2hnb h LYS 104 Cb 1.11 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2hnb h LYS 104 CO -0.19 -0.05 0.07 -0.07 -0.57 0.00 0.00 179.45 178.64 2hnb h LEU 105 N -0.73 0.15 -0.78 2.94 3.38 -1.52 -2.52 115.31 116.22 2hnb h LEU 105 Ca -0.04 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2hnb h LEU 105 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2hnb h LEU 105 CO 0.06 0.19 -0.06 1.05 0.09 0.00 0.00 178.44 179.77 2hnb h GLU 106 N 0.10 0.86 -0.41 1.13 4.11 -1.24 -2.72 114.58 116.42 2hnb h GLU 106 Ca 0.04 -0.27 -0.14 0.00 0.07 0.00 0.00 59.36 59.06 2hnb h GLU 106 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2hnb h GLU 106 CO -0.01 0.90 -0.31 0.00 0.07 0.00 0.00 179.01 179.66 2hnb h ALA 107 N 1.14 0.59 -0.03 1.06 0.00 -1.20 -1.72 119.26 119.10 2hnb h ALA 107 Ca 0.14 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2hnb h ALA 107 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2hnb h ALA 107 CO 0.03 0.64 -0.56 1.49 0.00 0.00 0.00 179.25 180.86 2hnb h GLU 108 N 0.75 0.09 -0.16 0.00 4.57 -1.35 0.10 114.58 118.59 2hnb h GLU 108 Ca 0.08 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2hnb h GLU 108 Cb 0.90 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2hnb h GLU 108 CO 0.08 0.63 0.08 -0.07 -1.18 0.00 0.00 179.01 178.54 2hnb h LEU 109 N 0.07 0.21 -0.83 1.64 3.38 -1.30 -0.72 115.31 117.76 2hnb h LEU 109 Ca -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2hnb h LEU 109 Cb 1.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2hnb h LEU 109 CO 0.08 0.27 0.16 0.11 0.09 0.00 0.00 178.44 179.15 2hnb h LYS 110 N 0.13 1.03 -0.34 1.13 1.57 -0.88 -1.42 116.57 117.79 2hnb h LYS 110 Ca 0.05 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2hnb h LYS 110 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2hnb h LYS 110 CO -0.01 0.91 -0.12 -0.97 -0.57 0.00 0.00 179.45 178.69 2hnb h ASN 111 N 0.98 0.57 0.19 0.86 -1.24 -0.75 -1.17 115.58 115.03 2hnb h ASN 111 Ca 0.21 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2hnb h ASN 111 Cb 0.35 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2hnb h ASN 111 CO 0.00 0.72 0.00 -1.20 -1.29 0.00 0.00 177.43 175.66 2hnb n SER 112 N -4.19 0.00 0.00 1.15 7.64 -0.28 -4.87 113.62 113.07 2hnb n SER 112 Ca 0.01 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2hnb n SER 112 Cb 0.34 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.20 1.28 3.47 0.23 0.00 -0.44 -1.29 105.19 108.65 2hnb n GLY 113 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.09 -0.43 0.01 4.61 0.00 -0.62 -4.09 121.76 119.16 2hnb s ALA 114 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2hnb s ALA 114 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2hnb s ALA 114 CO 0.00 -3.93 -0.02 0.15 0.00 0.00 0.00 175.76 171.96 2hnb s LYS 115 N -4.67 0.17 0.86 0.00 1.02 -0.76 -4.22 119.74 112.14 2hnb s LYS 115 Ca 0.68 -0.30 -0.13 0.00 0.02 0.00 0.00 55.97 56.25 2hnb s LYS 115 Cb -0.22 0.02 0.11 0.00 -0.52 0.00 0.00 37.83 37.23 2hnb s LYS 115 CO 0.62 -0.02 1.19 -1.14 -0.92 0.00 0.00 175.35 175.09 2hnb s GLN 116 N -0.69 1.58 0.15 1.68 0.74 -1.26 -1.58 119.66 120.27 2hnb s GLN 116 Ca -0.07 0.09 0.09 0.00 0.05 0.00 0.00 55.36 55.52 2hnb s GLN 116 Cb -0.05 -1.91 -0.04 0.00 1.10 0.00 0.00 33.01 32.11 2hnb s GLN 116 CO -0.00 -1.86 -0.21 0.95 -0.55 0.00 0.00 175.29 173.62 2hnb s THR 117 N -3.54 1.95 0.00 -0.34 -4.23 -0.53 -4.79 115.64 104.15 2hnb s THR 117 Ca 0.64 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 2hnb s THR 117 Cb -0.11 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.89 2hnb s THR 117 CO 0.50 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 2hnb n GLY 118 N 0.57 2.84 3.17 3.99 0.00 -1.26 -4.72 105.19 109.79 2hnb n GLY 118 Ca -0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 0.90 0.16 1.61 2.02 -1.26 -5.14 118.70 116.99 2hnb s GLU 119 Ca 0.00 -1.39 -0.31 0.00 0.02 0.00 0.00 54.97 53.29 2hnb s GLU 119 Cb 0.00 -0.08 -0.08 0.00 0.10 0.00 0.00 34.13 34.07 2hnb s GLU 119 CO 0.00 -0.11 1.35 0.99 0.02 0.00 0.00 175.26 177.51 2hnb s THR 120 N -3.76 3.25 0.47 3.63 2.01 -1.26 -4.81 115.64 115.17 2hnb s THR 120 Ca 0.17 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 62.97 2hnb s THR 120 Cb 0.06 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 2hnb s THR 120 CO -0.02 0.11 0.94 -0.22 -0.69 0.00 0.00 174.62 174.74 2hnb s LEU 121 N 0.43 3.74 0.03 4.42 2.96 -0.76 -4.96 118.68 124.54 2hnb s LEU 121 Ca 0.60 1.52 0.07 0.00 -0.22 0.00 0.00 54.13 56.10 2hnb s LEU 121 Cb -0.37 -4.43 -0.02 0.00 0.50 0.00 0.00 46.19 41.87 2hnb s LEU 121 CO 0.35 -0.49 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.15 2hnb s LYS 122 N -3.79 1.32 -0.29 1.98 3.01 -1.26 -1.07 119.74 119.63 2hnb s LYS 122 Ca 0.58 -0.85 -0.01 0.00 -1.01 0.00 0.00 55.97 54.68 2hnb s LYS 122 Cb -0.10 -1.39 0.09 0.00 -1.01 0.00 0.00 37.83 35.43 2hnb s LYS 122 CO 0.27 0.36 0.09 0.42 0.51 0.00 0.00 175.35 176.99 2hnb s ILE 123 N -0.74 0.79 0.29 2.17 1.01 -0.34 -4.89 121.20 119.48 2hnb s ILE 123 Ca 0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 2hnb s ILE 123 Cb -0.08 -1.54 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 2hnb s ILE 123 CO 0.01 -0.60 1.31 0.21 0.00 0.00 0.00 174.94 175.88 2hnb s ASN 124 N 1.67 6.81 -0.05 3.58 2.47 -1.26 -2.99 114.94 125.18 2hnb s ASN 124 Ca 0.08 2.61 0.07 0.00 0.42 0.00 0.00 52.86 56.04 2hnb s ASN 124 Cb -0.17 -2.64 0.10 0.00 -1.45 0.00 0.00 41.25 37.09 2hnb s ASN 124 CO -0.23 -0.53 0.97 2.30 -3.72 0.00 0.00 177.10 175.89 2hnb n ILE 125 N 1.34 0.92 -0.28 -5.21 -5.35 -0.55 -4.05 119.36 106.17 2hnb n ILE 125 Ca 0.02 -1.05 0.04 0.00 -0.27 0.00 0.00 62.75 61.48 2hnb n ILE 125 Cb 0.42 0.32 0.18 0.00 -1.74 0.00 0.00 39.64 38.81 2hnb n ILE 125 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2hnb h LEU 126 N 0.00 0.58 0.00 7.28 7.12 -1.90 -3.43 115.31 124.96 2hnb h LEU 126 Ca 0.00 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2hnb h LEU 126 Cb 0.98 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2hnb h LEU 126 CO 0.00 0.30 0.00 -0.67 -0.13 0.00 0.00 178.44 177.94 2hnb n ASP 127 N -4.81 -0.82 -4.78 1.25 2.03 -1.26 -5.04 116.55 103.12 2hnb n ASP 127 Ca 0.14 0.32 -0.36 0.00 0.52 0.00 0.00 54.79 55.42 2hnb n ASP 127 Cb 0.33 0.92 -0.01 0.00 -0.72 0.00 0.00 41.12 41.65 2hnb n ASP 127 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2hnb s HIS 128 N -2.00 2.79 0.29 -0.67 -3.43 -1.26 -4.96 115.29 106.05 2hnb s HIS 128 Ca 0.00 1.55 0.12 0.00 -0.80 0.00 0.00 55.06 55.93 2hnb s HIS 128 Cb 0.00 -3.28 0.46 0.00 -1.43 0.00 0.00 32.58 28.33 2hnb s HIS 128 CO 0.00 -1.42 1.67 0.22 -2.00 0.00 0.00 174.74 173.21 2hnb h ASP 129 N 1.53 0.00 -5.10 7.38 3.58 -1.90 -3.37 116.42 118.54 2hnb h ASP 129 Ca -0.50 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.83 2hnb h ASP 129 Cb 1.25 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.13 2hnb h ASP 129 CO 0.58 0.55 -0.53 0.27 -2.88 0.00 0.00 179.24 177.22 2hnb s ILE 130 N -3.74 0.14 1.18 2.25 -4.36 -1.26 -4.74 121.20 110.67 2hnb s ILE 130 Ca -0.02 -1.15 -0.17 0.00 -0.26 0.00 0.00 60.65 59.05 2hnb s ILE 130 Cb 0.13 -0.95 0.27 0.00 1.25 0.00 0.00 42.46 43.16 2hnb s ILE 130 CO 0.75 -0.64 1.07 -2.16 0.24 0.00 0.00 174.94 174.20 2hnb s PRO 131 N -2.75 -1.00 0.00 0.37 0.04 -1.26 -4.89 135.00 125.51 2hnb s PRO 131 Ca -0.04 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2hnb s PRO 131 Cb -0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2hnb s PRO 131 CO -0.05 -3.63 0.35 -0.85 0.04 0.00 0.00 177.00 172.86 2hnb n GLU 132 N -4.76 0.39 -3.64 4.56 0.28 -1.26 -4.31 120.64 111.90 2hnb n GLU 132 Ca 0.09 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.83 2hnb n GLU 132 Cb 0.58 -1.04 -0.17 0.00 1.43 0.00 0.00 31.44 32.24 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 -1.41 2.40 0.70 -1.84 2.15 -1.26 -5.15 116.67 112.26 2hnb s ASP 133 Ca 0.00 -0.63 -0.12 0.00 0.43 0.00 0.00 52.55 52.23 2hnb s ASP 133 Cb 0.00 -0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.33 2hnb s ASP 133 CO 0.00 -0.34 1.08 -2.16 -0.17 0.00 0.00 175.17 173.58 2hnb s PRO 134 N 2.09 2.72 0.58 4.34 0.04 -1.26 -4.94 135.00 138.56 2hnb s PRO 134 Ca 0.02 1.18 0.36 0.00 0.04 0.00 0.00 61.00 62.59 2hnb s PRO 134 Cb -0.16 -1.95 1.72 0.00 0.04 0.00 0.00 34.50 34.15 2hnb s PRO 134 CO -0.09 -1.29 2.12 0.00 0.04 0.00 0.00 177.00 177.79 2hnb h ALA 135 N -0.50 1.05 -0.96 8.56 0.00 -1.97 -3.32 119.26 122.12 2hnb h ALA 135 Ca -0.45 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.51 2hnb h ALA 135 Cb 1.23 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2hnb h ALA 135 CO 0.54 0.04 0.61 1.49 0.00 0.00 0.00 179.25 181.93 2hnb h GLU 136 N 0.00 1.05 -0.01 0.00 4.81 -1.98 0.97 114.58 119.41 2hnb h GLU 136 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2hnb h GLU 136 Cb 0.32 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2hnb h GLU 136 CO 0.00 0.69 -0.70 0.93 -0.73 0.00 0.00 179.01 179.21 2hnb h GLU 137 N 1.08 0.07 -0.14 1.92 5.08 -1.98 0.28 114.58 120.87 2hnb h GLU 137 Ca 0.43 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.51 2hnb h GLU 137 Cb 0.23 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2hnb h GLU 137 CO -0.19 0.74 -0.78 2.35 -1.00 0.00 0.00 179.01 180.12 2hnb h TRP 138 N 0.04 1.06 -0.51 4.33 2.91 -1.45 -0.21 115.95 122.12 2hnb h TRP 138 Ca -0.01 -0.47 -0.01 0.00 1.13 0.00 0.00 58.89 59.52 2hnb h TRP 138 Cb 1.23 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.70 2hnb h TRP 138 CO 0.01 1.31 0.27 1.25 -1.03 0.00 0.00 178.44 180.25 2hnb h LEU 139 N 0.51 0.65 -0.63 0.65 5.85 -0.79 -0.55 115.31 121.00 2hnb h LEU 139 Ca -0.06 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2hnb h LEU 139 Cb 1.41 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2hnb h LEU 139 CO 0.16 0.56 0.35 1.23 -0.34 0.00 0.00 178.44 180.40 2hnb h GLY 140 N 0.68 0.91 1.04 3.75 0.00 -0.85 -1.64 103.07 106.96 2hnb h GLY 140 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 2hnb h GLY 140 CO -0.03 0.16 0.38 1.76 0.00 0.00 0.00 176.54 178.80 2hnb h SER 141 N 0.65 1.11 -0.10 0.19 0.02 -0.56 -0.61 113.55 114.25 2hnb h SER 141 Ca 0.28 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2hnb h SER 141 Cb 0.16 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2hnb h SER 141 CO -0.17 0.95 0.04 -0.50 -1.14 0.00 0.00 176.83 176.02 2hnb h TRP 142 N 1.20 0.15 -0.22 3.45 6.55 -0.48 -1.10 115.95 125.49 2hnb h TRP 142 Ca 0.28 -0.01 -0.07 0.00 0.95 0.00 0.00 58.89 60.04 2hnb h TRP 142 Cb 0.16 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 2hnb h TRP 142 CO 0.02 0.25 -0.17 -0.39 -1.05 0.00 0.00 178.44 177.09 2hnb h VAL 143 N 0.01 1.23 -0.24 1.49 -1.51 -1.16 -0.45 116.25 115.62 2hnb h VAL 143 Ca 0.03 -1.03 -0.03 0.00 -1.23 0.00 0.00 66.70 64.45 2hnb h VAL 143 Cb 0.16 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 2hnb h VAL 143 CO -0.00 0.32 0.00 -1.13 -1.23 0.00 0.00 177.57 175.53 2hnb h ASN 144 N 0.35 0.32 0.00 4.19 -0.73 -0.84 -0.31 115.58 118.56 2hnb h ASN 144 Ca 0.06 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 2hnb h ASN 144 Cb 0.51 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.02 2hnb h ASN 144 CO 0.03 0.38 -0.03 -0.07 -0.37 0.00 0.00 177.43 177.37 2hnb h LEU 145 N 0.34 0.00 -0.09 0.34 3.38 -0.34 -3.37 115.31 115.57 2hnb h LEU 145 Ca 0.08 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2hnb h LEU 145 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2hnb h LEU 145 CO 0.00 0.97 0.00 0.17 0.09 0.00 0.00 178.44 179.67 2hnb h LEU 146 N -1.00 0.00 0.00 1.67 8.10 -1.10 -3.52 115.31 119.46 2hnb h LEU 146 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2hnb h LEU 146 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 2hnb h LEU 146 CO -0.01 0.00 0.00 0.29 -4.11 0.00 0.00 178.44 174.61