#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb n ALA 2 N 0.00 0.00 0.00 -5.12 0.00 -1.26 -4.84 120.51 109.28 2hnb n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hnb n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hnb n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hnb n ASP 3 N -3.57 0.00 -3.59 0.00 2.03 -0.44 -4.94 116.55 106.04 2hnb n ASP 3 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2hnb n ASP 3 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.73 1.15 -0.17 5.18 1.01 -0.22 -4.59 121.20 122.84 2hnb s ILE 4 Ca 0.00 -2.90 -0.29 0.00 0.00 0.00 0.00 60.65 57.46 2hnb s ILE 4 Cb 0.00 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 2hnb s ILE 4 CO 0.00 -1.08 1.33 -0.89 0.00 0.00 0.00 174.94 174.31 2hnb s THR 5 N -0.11 4.15 0.42 2.92 2.01 -1.25 -3.83 115.64 119.96 2hnb s THR 5 Ca 0.26 1.38 -0.22 0.00 0.31 0.00 0.00 61.69 63.41 2hnb s THR 5 Cb -0.08 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 2hnb s THR 5 CO -0.12 -0.17 1.00 -0.76 -0.69 0.00 0.00 174.62 173.88 2hnb s LEU 6 N 3.73 4.03 -0.83 4.42 1.02 0.36 -3.10 118.68 128.31 2hnb s LEU 6 Ca 0.58 1.86 0.01 0.00 0.02 0.00 0.00 54.13 56.60 2hnb s LEU 6 Cb -0.23 -4.38 0.22 0.00 0.02 0.00 0.00 46.19 41.83 2hnb s LEU 6 CO 0.18 -0.45 0.76 -0.38 0.02 0.00 0.00 176.35 176.48 2hnb n ILE 7 N -0.39 2.77 -2.36 -0.59 5.41 0.27 -1.77 119.36 122.69 2hnb n ILE 7 Ca 0.06 -5.13 -0.39 0.00 1.00 0.00 0.00 62.75 58.29 2hnb n ILE 7 Cb 0.52 -2.28 -0.03 0.00 -0.71 0.00 0.00 39.64 37.14 2hnb n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2hnb s SER 8 N -0.90 5.87 -0.72 4.38 0.01 -0.19 -1.44 113.70 120.71 2hnb s SER 8 Ca 0.29 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2hnb s SER 8 Cb -0.03 -2.55 0.37 0.00 0.21 0.00 0.00 66.02 64.02 2hnb s SER 8 CO -0.11 -2.03 1.62 0.61 0.41 0.00 0.00 173.24 173.75 2hnb n GLY 9 N 5.88 5.77 3.38 3.44 0.00 0.18 -0.63 105.19 123.21 2hnb n GLY 9 Ca 0.17 -2.61 -0.19 0.00 0.00 0.00 0.00 46.02 43.38 2hnb n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hnb s SER 10 N -2.10 2.41 0.00 1.61 0.01 -1.26 -3.41 113.70 110.96 2hnb s SER 10 Ca 0.49 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2hnb s SER 10 Cb 0.38 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2hnb s SER 10 CO -0.28 -0.39 0.00 0.35 0.41 0.00 0.00 173.24 173.33 2hnb n THR 11 N -0.50 0.00 0.31 1.44 -2.24 -1.26 -4.88 114.28 107.15 2hnb n THR 11 Ca -0.06 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.93 2hnb n THR 11 Cb 0.63 0.00 1.01 0.00 -2.10 0.00 0.00 70.33 69.87 2hnb n THR 11 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hnb h LEU 12 N 0.00 0.00 0.00 3.22 3.38 -1.97 -3.47 115.31 116.47 2hnb h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hnb h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hnb h LEU 12 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2hnb n GLY 13 N -0.63 3.07 0.23 0.83 0.00 -1.26 -4.85 105.19 102.59 2hnb n GLY 13 Ca -0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 0.84 1.84 -0.02 0.00 -1.96 -0.07 103.07 103.69 2hnb h GLY 14 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.58 2hnb h GLY 14 CO 0.00 0.62 -0.23 0.00 0.00 0.00 0.00 176.54 176.93 2hnb h ALA 15 N 0.85 1.41 -0.11 3.60 0.00 -1.89 -1.20 119.26 121.92 2hnb h ALA 15 Ca 0.10 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2hnb h ALA 15 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2hnb h ALA 15 CO 0.04 0.42 -0.66 0.93 0.00 0.00 0.00 179.25 179.97 2hnb h GLU 16 N 0.18 0.45 -0.53 0.00 3.07 -1.77 0.47 114.58 116.46 2hnb h GLU 16 Ca 0.03 -0.33 -0.11 0.00 -0.50 0.00 0.00 59.36 58.44 2hnb h GLU 16 Cb 0.51 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 2hnb h GLU 16 CO 0.04 0.96 -0.11 1.88 -1.40 0.00 0.00 179.01 180.37 2hnb h TYR 17 N 0.32 1.11 -0.27 4.33 0.05 -0.62 0.26 116.97 122.15 2hnb h TYR 17 Ca -0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 2hnb h TYR 17 Cb 1.22 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2hnb h TYR 17 CO 0.04 1.03 0.14 0.28 -1.05 0.00 0.00 178.16 178.61 2hnb h VAL 18 N 0.88 1.13 -0.92 -2.88 2.07 -1.12 -1.12 116.25 114.29 2hnb h VAL 18 Ca 0.14 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2hnb h VAL 18 Cb 0.67 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2hnb h VAL 18 CO 0.05 0.13 0.60 0.00 0.02 0.00 0.00 177.57 178.37 2hnb h ALA 19 N 1.01 1.20 -0.44 1.67 0.00 -0.53 0.47 119.26 122.64 2hnb h ALA 19 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2hnb h ALA 19 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2hnb h ALA 19 CO -0.01 0.48 0.08 1.49 0.00 0.00 0.00 179.25 181.28 2hnb h GLU 20 N 1.17 0.73 -0.39 0.00 4.81 -0.77 -0.15 114.58 119.98 2hnb h GLU 20 Ca 0.36 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2hnb h GLU 20 Cb -0.03 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2hnb h GLU 20 CO -0.11 0.75 0.09 1.25 -0.73 0.00 0.00 179.01 180.26 2hnb h HIS 21 N 0.59 0.65 -0.36 0.92 2.76 -0.65 -0.23 115.15 118.84 2hnb h HIS 21 Ca 0.13 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2hnb h HIS 21 Cb 0.37 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2hnb h HIS 21 CO 0.03 0.63 0.19 -0.07 -1.30 0.00 0.00 177.93 177.41 2hnb h LEU 22 N 0.48 0.29 -0.43 0.26 3.38 -0.82 -0.66 115.31 117.81 2hnb h LEU 22 Ca 0.12 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2hnb h LEU 22 Cb 0.31 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2hnb h LEU 22 CO 0.00 0.21 0.26 0.00 0.09 0.00 0.00 178.44 179.00 2hnb h ALA 23 N 1.18 0.54 -0.79 1.53 0.00 -0.84 -2.27 119.26 118.61 2hnb h ALA 23 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2hnb h ALA 23 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2hnb h ALA 23 CO -0.09 -0.06 0.52 1.49 0.00 0.00 0.00 179.25 181.10 2hnb h GLU 24 N 0.52 1.04 -0.53 0.00 4.81 -0.46 -0.11 114.58 119.84 2hnb h GLU 24 Ca 0.17 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2hnb h GLU 24 Cb 0.00 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2hnb h GLU 24 CO -0.08 0.69 0.12 0.87 -0.73 0.00 0.00 179.01 179.89 2hnb h LYS 25 N 1.07 0.82 -0.33 1.92 1.79 -0.80 -0.72 116.57 120.31 2hnb h LYS 25 Ca 0.29 -0.17 -0.16 0.00 -2.18 0.00 0.00 60.65 58.44 2hnb h LYS 25 Cb -0.12 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 2hnb h LYS 25 CO -0.06 0.74 -0.42 -0.07 -1.08 0.00 0.00 179.45 178.56 2hnb h LEU 26 N 0.79 0.88 -0.63 2.94 3.38 -0.75 -0.30 115.31 121.62 2hnb h LEU 26 Ca 0.17 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2hnb h LEU 26 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2hnb h LEU 26 CO -0.00 1.18 0.37 -0.33 0.09 0.00 0.00 178.44 179.74 2hnb h GLU 27 N 0.67 0.86 -0.62 1.13 4.39 -0.57 0.10 114.58 120.53 2hnb h GLU 27 Ca 0.05 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2hnb h GLU 27 Cb 0.99 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 2hnb h GLU 27 CO 0.09 0.62 0.09 0.93 -1.16 0.00 0.00 179.01 179.59 2hnb h GLU 28 N 0.85 1.02 0.00 2.33 5.08 -1.02 -2.49 114.58 120.34 2hnb h GLU 28 Ca 0.22 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2hnb h GLU 28 Cb -0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2hnb h GLU 28 CO -0.04 0.95 -0.06 0.00 -1.00 0.00 0.00 179.01 178.86 2hnb h ALA 29 N 1.13 1.04 0.00 3.43 0.00 -0.52 -3.47 119.26 120.88 2hnb h ALA 29 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hnb h ALA 29 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hnb h ALA 29 CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2hnb n GLY 30 N -0.19 1.95 3.14 0.00 0.00 -0.14 -5.07 105.19 104.89 2hnb n GLY 30 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 1.86 0.28 1.61 0.08 -0.28 -5.00 117.98 114.54 2hnb s PHE 31 Ca 0.00 -0.60 -0.29 0.00 0.12 0.00 0.00 56.93 56.16 2hnb s PHE 31 Cb 0.00 -1.26 -0.09 0.00 -0.57 0.00 0.00 43.02 41.09 2hnb s PHE 31 CO 0.00 -0.22 1.06 0.95 -0.10 0.00 0.00 175.22 176.90 2hnb s THR 32 N 0.15 3.65 0.27 0.64 -4.23 -1.26 -3.24 115.64 111.63 2hnb s THR 32 Ca -0.07 1.62 0.03 0.00 -1.18 0.00 0.00 61.69 62.09 2hnb s THR 32 Cb -0.13 -4.01 -0.06 0.00 1.34 0.00 0.00 72.50 69.64 2hnb s THR 32 CO 0.03 0.36 0.05 0.42 -0.54 0.00 0.00 174.62 174.94 2hnb s THR 33 N -1.22 0.95 -0.21 3.99 -4.23 -1.26 -1.06 115.64 112.60 2hnb s THR 33 Ca 0.45 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 2hnb s THR 33 Cb -0.29 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.02 2hnb s THR 33 CO 0.38 -0.11 0.50 -0.70 -0.54 0.00 0.00 174.62 174.15 2hnb s GLU 34 N -3.93 0.48 -1.48 3.99 2.56 -1.25 -4.81 118.70 114.26 2hnb s GLU 34 Ca 0.34 0.99 -0.11 0.00 0.00 0.00 0.00 54.97 56.19 2hnb s GLU 34 Cb 0.07 0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.35 2hnb s GLU 34 CO 0.13 -0.17 2.47 0.25 -0.56 0.00 0.00 175.26 177.38 2hnb n THR 35 N 4.51 4.12 -2.02 -1.70 -2.24 -1.26 -0.48 114.28 115.20 2hnb n THR 35 Ca -0.20 -3.21 -0.42 0.00 -2.27 0.00 0.00 64.05 57.95 2hnb n THR 35 Cb 0.55 -2.51 -0.03 0.00 -2.10 0.00 0.00 70.33 66.24 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 0.59 4.33 -0.45 3.22 0.20 -0.73 -4.66 118.68 121.18 2hnb s LEU 36 Ca 0.55 2.26 -0.28 0.00 0.69 0.00 0.00 54.13 57.35 2hnb s LEU 36 Cb 0.15 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.37 2hnb s LEU 36 CO -0.07 -0.89 1.62 -1.00 -0.29 0.00 0.00 176.35 175.72 2hnb s HIS 37 N 3.63 2.05 -1.16 5.38 3.76 -1.26 -1.02 115.29 126.67 2hnb s HIS 37 Ca 0.72 0.64 -0.21 0.00 -0.15 0.00 0.00 55.06 56.06 2hnb s HIS 37 Cb -0.34 -4.23 0.03 0.00 1.11 0.00 0.00 32.58 29.15 2hnb s HIS 37 CO 0.29 -2.36 0.39 0.41 -0.85 0.00 0.00 174.74 172.62 2hnb n GLY 38 N 5.34 -0.51 3.75 -2.22 0.00 0.20 -4.92 105.19 106.82 2hnb n GLY 38 Ca 0.18 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 -7.06 2.93 0.47 1.61 0.04 -1.26 -4.53 135.00 127.19 2hnb s PRO 39 Ca 0.29 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.42 2hnb s PRO 39 Cb -0.16 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2hnb s PRO 39 CO 0.86 -1.29 0.64 -0.51 0.04 0.00 0.00 177.00 176.74 2hnb s LEU 40 N -3.93 3.52 0.32 -3.56 1.43 -1.26 -4.95 118.68 110.25 2hnb s LEU 40 Ca 0.77 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 2hnb s LEU 40 Cb -0.36 -2.58 0.74 0.00 0.03 0.00 0.00 46.19 44.03 2hnb s LEU 40 CO 0.40 -0.91 1.82 0.25 0.23 0.00 0.00 176.35 178.14 2hnb h LEU 41 N 0.46 0.76 0.00 1.79 7.12 -1.93 -0.01 115.31 123.50 2hnb h LEU 41 Ca -0.39 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2hnb h LEU 41 Cb 1.28 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2hnb h LEU 41 CO 0.46 0.34 0.00 -0.62 -0.13 0.00 0.00 178.44 178.49 2hnb n GLU 42 N -4.65 0.16 -0.43 1.25 1.02 -1.26 -2.54 120.64 114.18 2hnb n GLU 42 Ca 0.20 0.18 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 2hnb n GLU 42 Cb 0.50 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.30 0.58 -3.74 1.62 2.03 -0.06 -5.00 116.55 110.68 2hnb n ASP 43 Ca 0.05 -2.26 -0.28 0.00 0.52 0.00 0.00 54.79 52.82 2hnb n ASP 43 Cb 0.10 -0.26 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hnb s LEU 44 N -0.68 1.32 0.81 -2.67 1.43 -0.96 -4.77 118.68 113.16 2hnb s LEU 44 Ca 0.09 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 2hnb s LEU 44 Cb 0.08 -0.64 0.08 0.00 0.03 0.00 0.00 46.19 45.74 2hnb s LEU 44 CO 0.00 -0.32 1.10 -2.16 0.23 0.00 0.00 176.35 175.20 2hnb s PRO 45 N 1.82 1.96 0.00 1.29 0.04 -1.26 -4.85 135.00 134.00 2hnb s PRO 45 Ca 0.00 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.31 2hnb s PRO 45 Cb -0.17 -1.86 0.37 0.00 0.04 0.00 0.00 34.50 32.88 2hnb s PRO 45 CO -0.10 -1.86 0.97 0.00 0.04 0.00 0.00 177.00 176.04 2hnb n ALA 46 N -3.68 2.22 -3.16 8.56 0.00 -1.26 -4.68 120.51 118.51 2hnb n ALA 46 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2hnb n ALA 46 Cb 0.53 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.52 -0.24 0.00 0.00 0.01 -1.26 -2.04 113.70 108.65 2hnb s SER 47 Ca 0.09 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2hnb s SER 47 Cb 0.04 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2hnb s SER 47 CO 0.07 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2hnb n GLY 48 N 2.59 -1.19 2.90 3.44 0.00 -1.25 -4.90 105.19 106.77 2hnb n GLY 48 Ca -0.15 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.82 1.62 0.42 -0.61 1.09 -1.25 -1.29 121.20 119.36 2hnb s ILE 49 Ca 0.00 -1.82 0.08 0.00 -1.10 0.00 0.00 60.65 57.80 2hnb s ILE 49 Cb 0.00 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.21 2hnb s ILE 49 CO 0.00 -0.57 0.32 0.26 -0.10 0.00 0.00 174.94 174.85 2hnb s TRP 50 N 1.25 2.65 -0.23 3.97 0.23 -0.25 -3.75 118.94 122.81 2hnb s TRP 50 Ca 0.08 -0.53 -0.03 0.00 -2.03 0.00 0.00 56.10 53.59 2hnb s TRP 50 Cb -0.18 -2.10 0.10 0.00 0.03 0.00 0.00 33.47 31.31 2hnb s TRP 50 CO -0.15 -0.04 0.22 -1.17 0.96 0.00 0.00 176.95 176.77 2hnb s LEU 51 N -4.07 -0.04 0.20 2.99 2.96 -1.18 -1.96 118.68 117.58 2hnb s LEU 51 Ca 0.46 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 2hnb s LEU 51 Cb -0.01 0.30 -0.08 0.00 0.50 0.00 0.00 46.19 46.89 2hnb s LEU 51 CO 0.26 -0.35 0.87 -0.69 -1.32 0.00 0.00 176.35 175.12 2hnb s VAL 52 N 2.30 4.23 0.02 1.68 1.01 0.27 -0.57 120.40 129.34 2hnb s VAL 52 Ca 0.07 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.00 2hnb s VAL 52 Cb -0.15 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2hnb s VAL 52 CO -0.19 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.69 2hnb s ILE 53 N -1.08 0.73 -0.07 2.22 1.09 -0.52 -1.54 121.20 122.03 2hnb s ILE 53 Ca 0.39 -0.65 -0.12 0.00 -1.10 0.00 0.00 60.65 59.17 2hnb s ILE 53 Cb -0.25 -0.67 0.03 0.00 -1.06 0.00 0.00 42.46 40.51 2hnb s ILE 53 CO 0.29 0.02 0.29 -0.44 -0.10 0.00 0.00 174.94 175.01 2hnb s SER 54 N -0.71 -0.25 0.56 3.58 0.01 -0.83 -0.65 113.70 115.42 2hnb s SER 54 Ca 0.00 0.38 -0.19 0.00 1.31 0.00 0.00 55.95 57.45 2hnb s SER 54 Cb -0.06 0.49 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 2hnb s SER 54 CO 0.00 -0.23 1.13 -0.44 0.41 0.00 0.00 173.24 174.11 2hnb s SER 55 N -0.43 5.60 -0.54 2.44 0.01 -1.22 -1.64 113.70 117.92 2hnb s SER 55 Ca -0.05 2.17 0.01 0.00 1.31 0.00 0.00 55.95 59.39 2hnb s SER 55 Cb -0.04 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.76 2hnb s SER 55 CO 0.02 -1.30 0.32 -0.89 0.41 0.00 0.00 173.24 171.79 2hnb s THR 56 N -1.83 3.08 0.47 1.44 2.01 0.47 -4.53 115.64 116.76 2hnb s THR 56 Ca 0.72 -3.02 0.17 0.00 0.31 0.00 0.00 61.69 59.87 2hnb s THR 56 Cb -0.24 -3.08 0.33 0.00 0.01 0.00 0.00 72.50 69.52 2hnb s THR 56 CO 0.29 -0.81 2.01 -0.74 -0.69 0.00 0.00 174.62 174.68 2hnb h HIS 57 N 6.90 0.26 0.00 4.92 2.76 -1.86 -1.70 115.15 126.42 2hnb h HIS 57 Ca -0.05 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2hnb h HIS 57 Cb 0.94 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.81 2hnb h HIS 57 CO 0.60 0.13 0.00 0.41 -1.30 0.00 0.00 177.93 177.76 2hnb n GLY 58 N -1.55 0.96 0.52 5.26 0.00 -1.26 -4.64 105.19 104.48 2hnb n GLY 58 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 2.80 -0.79 4.61 0.00 -1.26 -0.92 120.51 124.95 2hnb n ALA 59 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.77 2hnb n ALA 59 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.89 0.72 3.78 0.00 0.00 -1.26 -4.82 105.19 102.72 2hnb n GLY 60 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.41 6.43 -0.02 1.61 2.15 -1.26 -4.15 116.67 119.03 2hnb s ASP 61 Ca 0.00 2.12 0.05 0.00 0.43 0.00 0.00 52.55 55.16 2hnb s ASP 61 Cb 0.00 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 40.02 2hnb s ASP 61 CO 0.00 -0.72 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.47 2hnb s ILE 62 N -1.67 1.43 0.27 4.11 1.01 -1.26 -3.60 121.20 121.48 2hnb s ILE 62 Ca 0.62 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 2hnb s ILE 62 Cb -0.24 -1.19 -0.14 0.00 0.01 0.00 0.00 42.46 40.90 2hnb s ILE 62 CO 0.29 0.41 1.16 -2.65 0.00 0.00 0.00 174.94 174.14 2hnb n PRO 63 N 2.67 1.60 0.09 2.79 -0.02 -1.26 -4.62 135.00 136.25 2hnb n PRO 63 Ca -0.15 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 2hnb n PRO 63 Cb 0.54 -2.05 0.29 0.00 -0.02 0.00 0.00 33.50 32.26 2hnb n PRO 63 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hnb n ASP 64 N 1.42 0.28 -0.29 2.55 2.03 -1.26 -0.91 116.55 120.38 2hnb n ASP 64 Ca 0.10 0.59 0.03 0.00 0.52 0.00 0.00 54.79 56.03 2hnb n ASP 64 Cb 0.32 -0.61 0.17 0.00 -0.72 0.00 0.00 41.12 40.27 2hnb n ASP 64 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2hnb h ASN 65 N 0.00 0.64 0.00 1.67 -0.73 -1.89 -3.38 115.58 111.89 2hnb h ASN 65 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2hnb h ASN 65 Cb 0.15 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2hnb h ASN 65 CO 0.00 0.36 -0.32 -0.11 -0.37 0.00 0.00 177.43 176.99 2hnb n LEU 66 N -4.76 0.00 -0.19 0.34 7.94 -0.60 -4.26 117.00 115.47 2hnb n LEU 66 Ca 0.13 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.24 2hnb n LEU 66 Cb 0.29 0.00 0.58 0.00 0.53 0.00 0.00 43.42 44.82 2hnb n LEU 66 CO 0.26 0.00 1.22 0.77 -1.11 0.00 0.00 177.39 178.54 2hnb h SER 67 N 0.00 0.26 -0.20 1.96 4.64 -1.21 0.52 113.55 119.53 2hnb h SER 67 Ca 0.00 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2hnb h SER 67 Cb 0.05 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2hnb h SER 67 CO 0.00 0.11 0.36 -0.65 -0.87 0.00 0.00 176.83 175.78 2hnb h PRO 68 N 0.27 0.00 -0.68 4.77 0.11 -1.85 -2.02 132.00 132.60 2hnb h PRO 68 Ca 0.42 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.54 2hnb h PRO 68 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2hnb h PRO 68 CO -0.11 0.00 0.45 0.35 -0.21 0.00 0.00 178.00 178.48 2hnb h PHE 69 N 0.00 0.83 -0.65 0.65 3.57 -1.25 0.06 116.94 120.15 2hnb h PHE 69 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2hnb h PHE 69 Cb 0.81 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2hnb h PHE 69 CO 0.00 0.51 0.37 -0.92 -2.23 0.00 0.00 178.31 176.04 2hnb h TYR 70 N 0.88 0.88 -0.13 0.41 3.20 -1.55 -1.02 116.97 119.64 2hnb h TYR 70 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 2hnb h TYR 70 Cb -0.04 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 2hnb h TYR 70 CO -0.00 0.62 -0.08 0.93 -1.64 0.00 0.00 178.16 177.99 2hnb h GLU 71 N 0.88 0.29 -0.41 1.82 4.39 -1.49 -2.59 114.58 117.47 2hnb h GLU 71 Ca 0.23 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2hnb h GLU 71 Cb 0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2hnb h GLU 71 CO -0.04 0.64 -0.12 0.00 -1.16 0.00 0.00 179.01 178.33 2hnb h ALA 72 N 0.64 1.03 0.08 3.43 0.00 -0.83 0.08 119.26 123.69 2hnb h ALA 72 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2hnb h ALA 72 Cb 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hnb h ALA 72 CO 0.02 0.59 -0.04 -0.07 0.00 0.00 0.00 179.25 179.75 2hnb h LEU 73 N 0.66 -0.09 -1.24 0.00 3.38 -1.25 -2.95 115.31 113.82 2hnb h LEU 73 Ca 0.11 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2hnb h LEU 73 Cb 0.58 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2hnb h LEU 73 CO 0.04 0.30 -0.35 0.06 0.09 0.00 0.00 178.44 178.58 2hnb h GLN 74 N -0.50 0.00 -0.51 1.13 3.07 -1.23 0.16 115.11 117.22 2hnb h GLN 74 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.62 2hnb h GLN 74 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 2hnb h GLN 74 CO 0.02 0.35 -0.13 1.49 0.09 0.00 0.00 178.83 180.65 2hnb h GLU 75 N 0.00 0.97 0.00 0.06 4.81 -1.03 -3.33 114.58 116.06 2hnb h GLU 75 Ca -0.00 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 2hnb h GLU 75 Cb 0.71 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2hnb h GLU 75 CO 0.05 1.03 -2.10 1.04 -0.73 0.00 0.00 179.01 178.29 2hnb n GLN 76 N -4.14 0.67 -4.17 1.92 6.02 -0.99 -5.01 117.38 111.68 2hnb n GLN 76 Ca 0.01 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 2hnb n GLN 76 Cb 0.40 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.39 -0.42 -2.01 -1.09 4.81 0.53 -4.85 118.16 112.74 2hnb n LYS 77 Ca -0.12 0.06 -0.39 0.00 -0.87 0.00 0.00 58.31 56.99 2hnb n LYS 77 Cb 0.73 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 33.00 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hnb s PRO 78 N -7.48 3.88 -1.51 1.64 0.04 -1.26 -4.90 135.00 125.40 2hnb s PRO 78 Ca 0.35 2.18 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 2hnb s PRO 78 Cb -0.19 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.64 2hnb s PRO 78 CO 0.99 -0.58 2.57 -3.47 0.04 0.00 0.00 177.00 176.54 2hnb n ASP 79 N -0.00 6.74 0.19 6.66 2.03 -1.26 -4.45 116.55 126.45 2hnb n ASP 79 Ca 0.04 -2.77 -0.13 0.00 0.52 0.00 0.00 54.79 52.46 2hnb n ASP 79 Cb 0.44 -1.57 -0.07 0.00 -0.72 0.00 0.00 41.12 39.20 2hnb n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2hnb h LEU 80 N 7.94 -0.43 1.00 -2.67 3.38 -1.71 -3.47 115.31 119.35 2hnb h LEU 80 Ca 0.72 -0.14 -0.23 0.00 0.09 0.00 0.00 57.88 58.32 2hnb h LEU 80 Cb 0.43 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 2hnb h LEU 80 CO 1.78 -0.03 -0.21 -1.20 0.09 0.00 0.00 178.44 178.87 2hnb n SER 81 N -5.16 -2.92 0.00 -0.43 7.64 -0.40 -4.50 113.62 107.85 2hnb n SER 81 Ca -0.10 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2hnb n SER 81 Cb 0.28 -2.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.67 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 0.26 0.00 -1.80 -0.43 0.00 -1.23 -4.79 120.51 112.52 2hnb n ALA 82 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2hnb n ALA 82 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 3.23 -0.08 0.00 1.01 -0.86 -3.95 120.40 119.75 2hnb s VAL 83 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.21 2hnb s VAL 83 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2hnb s VAL 83 CO 0.00 0.27 -0.15 -0.13 0.00 0.00 0.00 175.10 175.09 2hnb s ARG 84 N -1.38 2.88 0.25 2.72 1.81 -0.41 -2.02 118.95 122.80 2hnb s ARG 84 Ca 0.47 -0.72 0.02 0.00 -1.72 0.00 0.00 55.73 53.78 2hnb s ARG 84 Cb -0.35 -2.45 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 2hnb s ARG 84 CO 0.44 0.42 0.18 -0.59 -0.68 0.00 0.00 175.30 175.07 2hnb s PHE 85 N -0.20 1.37 0.17 -0.53 -0.12 -0.54 -1.09 117.98 117.05 2hnb s PHE 85 Ca -0.00 -1.47 0.03 0.00 -0.05 0.00 0.00 56.93 55.43 2hnb s PHE 85 Cb -0.13 -0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 41.59 2hnb s PHE 85 CO 0.03 -0.71 -0.02 0.20 -0.05 0.00 0.00 175.22 174.67 2hnb s GLY 86 N -3.24 1.21 -0.19 1.99 0.00 -0.83 -1.23 107.32 105.04 2hnb s GLY 86 Ca 0.39 -1.58 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 2hnb s GLY 86 CO 0.17 -1.56 0.43 0.00 0.00 0.00 0.00 173.10 172.15 2hnb s ALA 87 N -3.55 -1.17 -0.00 3.20 0.00 -1.25 -0.56 121.76 118.42 2hnb s ALA 87 Ca 0.22 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2hnb s ALA 87 Cb 0.05 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 2hnb s ALA 87 CO 0.03 -0.58 -0.01 0.42 0.00 0.00 0.00 175.76 175.63 2hnb s ILE 88 N 2.16 0.05 -0.02 0.00 1.01 -0.59 -2.22 121.20 121.59 2hnb s ILE 88 Ca -0.05 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2hnb s ILE 88 Cb -0.10 -0.05 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 2hnb s ILE 88 CO -0.13 0.01 -0.21 -0.83 0.00 0.00 0.00 174.94 173.78 2hnb s GLY 89 N -0.01 1.06 -0.05 6.18 0.00 -1.12 -1.97 107.32 111.42 2hnb s GLY 89 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2hnb s GLY 89 CO -0.00 -0.70 -0.04 -0.42 0.00 0.00 0.00 173.10 171.94 2hnb s ILE 90 N -0.40 0.50 -4.15 0.90 1.09 -0.65 -0.75 121.20 117.74 2hnb s ILE 90 Ca 0.05 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.52 2hnb s ILE 90 Cb -0.09 -0.54 0.00 0.00 -1.06 0.00 0.00 42.46 40.77 2hnb s ILE 90 CO 0.00 0.22 0.00 0.61 -0.10 0.00 0.00 174.94 175.67 2hnb n GLY 91 N 4.17 -0.54 2.34 6.18 0.00 -0.85 -0.39 105.19 116.09 2hnb n GLY 91 Ca -0.23 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 7.36 -0.27 1.61 7.64 -0.64 -1.69 113.62 127.62 2hnb n SER 92 Ca 0.00 -2.86 0.14 0.00 1.01 0.00 0.00 58.87 57.15 2hnb n SER 92 Cb 0.00 -1.40 0.40 0.00 -1.01 0.00 0.00 64.21 62.20 2hnb n SER 92 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2hnb h ARG 93 N 4.05 0.61 0.00 1.43 3.08 -1.81 -0.80 114.38 120.93 2hnb h ARG 93 Ca 0.58 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2hnb h ARG 93 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2hnb h ARG 93 CO 1.18 0.41 0.00 0.93 -1.07 0.00 0.00 179.97 181.42 2hnb h GLU 94 N 0.63 0.00 -0.21 0.04 5.08 -1.86 -3.23 114.58 115.04 2hnb h GLU 94 Ca 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2hnb h GLU 94 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2hnb h GLU 94 CO -0.22 0.00 0.09 -0.92 -1.00 0.00 0.00 179.01 176.95 2hnb h TYR 95 N 0.00 0.32 0.00 4.33 3.20 -1.34 -3.45 116.97 120.02 2hnb h TYR 95 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2hnb h TYR 95 Cb 0.21 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2hnb h TYR 95 CO 0.00 0.36 0.00 -3.47 -1.64 0.00 0.00 178.16 173.41 2hnb n ASP 96 N -4.82 0.00 -4.06 -2.11 2.03 -0.91 -4.99 116.55 101.68 2hnb n ASP 96 Ca -0.04 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.03 2hnb n ASP 96 Cb 0.12 0.13 -0.16 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.31 1.22 -1.64 5.18 2.01 -0.10 -4.97 115.64 116.03 2hnb s THR 97 Ca 0.00 -0.56 0.15 0.00 0.31 0.00 0.00 61.69 61.59 2hnb s THR 97 Cb 0.00 -1.08 0.06 0.00 0.01 0.00 0.00 72.50 71.49 2hnb s THR 97 CO 0.00 0.37 0.90 0.49 -0.69 0.00 0.00 174.62 175.68 2hnb n PHE 98 N 3.51 0.00 0.00 4.92 3.01 -1.26 -4.44 117.46 123.20 2hnb n PHE 98 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2hnb n PHE 98 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hnb h GLY 100 N 0.00 1.56 1.87 0.00 0.00 -1.91 0.18 103.07 104.77 2hnb h GLY 100 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2hnb h GLY 100 CO 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.30 2hnb n ALA 101 N -2.40 1.41 0.00 3.60 0.00 -1.26 -2.11 120.51 119.76 2hnb n ALA 101 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2hnb n ALA 101 Cb 0.90 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2hnb n ALA 101 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2hnb n ILE 102 N -1.43 0.00 -0.25 0.00 0.13 -0.55 -4.81 119.36 112.45 2hnb n ILE 102 Ca 0.02 0.00 0.10 0.00 -1.10 0.00 0.00 62.75 61.78 2hnb n ILE 102 Cb 0.08 -0.50 0.37 0.00 -0.84 0.00 0.00 39.64 38.75 2hnb n ILE 102 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 2hnb h ASP 103 N 0.00 0.66 0.35 9.51 3.58 -0.85 -0.51 116.42 129.16 2hnb h ASP 103 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2hnb h ASP 103 Cb 0.62 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2hnb h ASP 103 CO 0.00 0.37 -0.24 0.11 -2.88 0.00 0.00 179.24 176.60 2hnb h LYS 104 N 0.72 -0.56 -0.04 0.28 1.57 -1.68 -0.88 116.57 115.99 2hnb h LYS 104 Ca 0.41 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2hnb h LYS 104 Cb 0.58 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2hnb h LYS 104 CO -0.17 -0.37 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.27 2hnb h LEU 105 N -0.58 0.07 -0.61 2.94 3.38 -1.57 -2.61 115.31 116.33 2hnb h LEU 105 Ca -0.03 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 2hnb h LEU 105 Cb 0.49 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2hnb h LEU 105 CO 0.02 0.36 -0.46 1.05 0.09 0.00 0.00 178.44 179.50 2hnb h GLU 106 N -0.23 0.56 -0.41 1.13 -0.00 -1.16 -2.57 114.58 111.91 2hnb h GLU 106 Ca 0.01 -0.31 -0.12 0.00 -0.00 0.00 0.00 59.36 58.95 2hnb h GLU 106 Cb 0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.08 2hnb h GLU 106 CO 0.00 0.90 -0.21 0.00 -0.00 0.00 0.00 179.01 179.70 2hnb h ALA 107 N 1.05 0.86 -0.05 1.06 0.00 -1.14 -1.45 119.26 119.58 2hnb h ALA 107 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2hnb h ALA 107 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2hnb h ALA 107 CO 0.09 0.64 -0.44 0.93 0.00 0.00 0.00 179.25 180.46 2hnb h GLU 108 N 0.71 0.12 -0.57 0.00 4.39 -1.24 0.16 114.58 118.14 2hnb h GLU 108 Ca 0.10 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2hnb h GLU 108 Cb 0.73 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2hnb h GLU 108 CO 0.06 0.54 0.16 -0.07 -1.16 0.00 0.00 179.01 178.54 2hnb h LEU 109 N 0.10 0.84 -0.76 1.33 3.38 -1.13 -0.29 115.31 118.77 2hnb h LEU 109 Ca 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2hnb h LEU 109 Cb 0.82 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2hnb h LEU 109 CO 0.06 0.83 0.40 0.50 0.09 0.00 0.00 178.44 180.32 2hnb h LYS 110 N 0.80 1.08 -0.47 1.13 3.64 -0.67 -1.43 116.57 120.64 2hnb h LYS 110 Ca 0.18 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2hnb h LYS 110 Cb 0.31 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2hnb h LYS 110 CO -0.00 0.82 0.05 -0.97 -2.27 0.00 0.00 179.45 177.07 2hnb h ASN 111 N 1.06 0.70 0.00 4.20 -1.24 -0.58 -1.34 115.58 118.39 2hnb h ASN 111 Ca 0.27 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2hnb h ASN 111 Cb 0.07 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.94 2hnb h ASN 111 CO -0.04 0.74 0.00 -1.20 -1.29 0.00 0.00 177.43 175.64 2hnb n SER 112 N -4.25 0.00 0.00 1.15 7.64 -0.13 -4.86 113.62 113.17 2hnb n SER 112 Ca 0.03 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.77 2hnb n SER 112 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.17 1.45 3.56 0.23 0.00 -0.50 -1.27 105.19 108.83 2hnb n GLY 113 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.64 0.16 0.02 4.61 0.00 -0.78 -4.16 121.76 118.97 2hnb s ALA 114 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2hnb s ALA 114 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2hnb s ALA 114 CO 0.00 -3.43 0.06 0.15 0.00 0.00 0.00 175.76 172.54 2hnb s LYS 115 N -4.60 0.47 1.02 0.00 1.02 -0.85 -4.12 119.74 112.67 2hnb s LYS 115 Ca 0.67 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 2hnb s LYS 115 Cb -0.23 0.18 0.14 0.00 -0.52 0.00 0.00 37.83 37.40 2hnb s LYS 115 CO 0.62 -0.10 0.70 1.04 -0.92 0.00 0.00 175.35 176.69 2hnb n GLN 116 N 1.22 -1.07 -2.39 1.68 1.13 -1.26 -1.47 117.38 115.22 2hnb n GLN 116 Ca -0.22 -0.27 -0.02 0.00 -1.94 0.00 0.00 57.00 54.55 2hnb n GLN 116 Cb 0.56 -2.06 0.05 0.00 0.11 0.00 0.00 30.24 28.90 2hnb n GLN 116 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2hnb n THR 117 N -4.27 1.22 -3.10 5.09 -1.04 -0.36 -4.65 114.28 107.16 2hnb n THR 117 Ca 0.06 -2.73 0.00 0.00 -2.04 0.00 0.00 64.05 59.35 2hnb n THR 117 Cb 0.55 0.88 0.00 0.00 -1.82 0.00 0.00 70.33 69.94 2hnb n THR 117 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hnb n GLY 118 N -0.42 -0.68 3.88 3.41 0.00 -1.26 -4.48 105.19 105.63 2hnb n GLY 118 Ca 0.12 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2hnb n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hnb s GLU 119 N -2.00 3.77 0.76 1.61 2.02 -1.26 -5.08 118.70 118.52 2hnb s GLU 119 Ca 0.00 0.43 -0.12 0.00 0.02 0.00 0.00 54.97 55.30 2hnb s GLU 119 Cb 0.00 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.87 2hnb s GLU 119 CO 0.00 -0.01 1.12 0.99 0.02 0.00 0.00 175.26 177.38 2hnb s THR 120 N -2.34 3.01 0.08 3.63 2.01 -1.26 -4.81 115.64 115.96 2hnb s THR 120 Ca 0.51 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2hnb s THR 120 Cb -0.10 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2hnb s THR 120 CO 0.31 -0.38 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.52 2hnb s LEU 121 N -5.70 2.33 0.02 4.42 2.96 -0.94 -5.06 118.68 116.71 2hnb s LEU 121 Ca 0.65 -0.69 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2hnb s LEU 121 Cb -0.20 -0.38 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 2hnb s LEU 121 CO 0.52 -0.17 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.78 2hnb s LYS 122 N -2.17 0.39 -0.27 1.98 3.01 -1.26 -2.80 119.74 118.61 2hnb s LYS 122 Ca 0.00 -0.50 -0.02 0.00 -1.01 0.00 0.00 55.97 54.44 2hnb s LYS 122 Cb -0.07 -0.19 0.09 0.00 -1.01 0.00 0.00 37.83 36.65 2hnb s LYS 122 CO 0.01 0.04 0.08 0.42 0.51 0.00 0.00 175.35 176.41 2hnb s ILE 123 N -0.94 0.60 0.31 2.17 1.01 0.07 -4.95 121.20 119.47 2hnb s ILE 123 Ca -0.07 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.28 2hnb s ILE 123 Cb -0.07 -1.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.96 2hnb s ILE 123 CO -0.00 -0.53 1.05 0.21 0.00 0.00 0.00 174.94 175.67 2hnb s ASN 124 N 1.78 7.20 0.00 3.58 2.47 -1.26 -2.01 114.94 126.70 2hnb s ASN 124 Ca 0.06 2.13 0.00 0.00 0.42 0.00 0.00 52.86 55.47 2hnb s ASN 124 Cb -0.17 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 2hnb s ASN 124 CO -0.22 -0.18 0.47 2.30 -3.72 0.00 0.00 177.10 175.75 2hnb n ILE 125 N 0.87 0.22 0.02 -5.21 -6.64 -0.68 -4.46 119.36 103.49 2hnb n ILE 125 Ca 0.00 -0.34 -0.01 0.00 -1.77 0.00 0.00 62.75 60.63 2hnb n ILE 125 Cb 0.47 1.17 -0.01 0.00 -1.44 0.00 0.00 39.64 39.83 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 -0.07 -0.83 7.28 5.85 -1.94 -3.37 115.31 122.24 2hnb h LEU 126 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2hnb h LEU 126 Cb 0.52 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2hnb h LEU 126 CO 0.00 0.03 -0.48 -0.78 -0.34 0.00 0.00 178.44 176.87 2hnb h ASP 127 N -0.24 0.00 -5.04 1.25 3.58 -1.97 -3.46 116.42 110.54 2hnb h ASP 127 Ca -0.01 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 2hnb h ASP 127 Cb 0.06 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 40.93 2hnb h ASP 127 CO 0.01 0.48 -0.28 -1.38 -2.88 0.00 0.00 179.24 175.20 2hnb s HIS 128 N -3.58 -0.10 -2.03 0.28 -3.43 -1.26 -5.05 115.29 100.12 2hnb s HIS 128 Ca -0.00 -0.01 0.12 0.00 -0.80 0.00 0.00 55.06 54.37 2hnb s HIS 128 Cb 0.11 0.08 0.61 0.00 -1.43 0.00 0.00 32.58 31.96 2hnb s HIS 128 CO 0.72 -0.47 1.41 -3.47 -2.00 0.00 0.00 174.74 170.93 2hnb n ASP 129 N 0.74 0.38 -4.02 7.38 2.03 -1.26 -4.14 116.55 117.65 2hnb n ASP 129 Ca -0.19 -1.71 -0.42 0.00 0.52 0.00 0.00 54.79 52.99 2hnb n ASP 129 Cb 0.59 -0.03 0.02 0.00 -0.72 0.00 0.00 41.12 40.97 2hnb n ASP 129 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hnb n ILE 130 N -0.43 -2.63 0.27 5.18 3.06 -1.26 -4.85 119.36 118.69 2hnb n ILE 130 Ca 0.09 -0.45 0.04 0.00 -2.50 0.00 0.00 62.75 59.93 2hnb n ILE 130 Cb 0.10 -2.26 0.19 0.00 0.54 0.00 0.00 39.64 38.20 2hnb n ILE 130 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2hnb n PRO 131 N -4.47 0.01 0.32 9.51 -0.04 -1.26 -1.24 135.00 137.82 2hnb n PRO 131 Ca -0.15 0.38 0.20 0.00 -0.04 0.00 0.00 63.50 63.89 2hnb n PRO 131 Cb 0.57 -1.52 1.04 0.00 -0.04 0.00 0.00 33.50 33.55 2hnb n PRO 131 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2hnb h GLU 132 N 0.00 0.00 -6.84 0.54 5.08 -2.03 -3.47 114.58 107.86 2hnb h GLU 132 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2hnb h GLU 132 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2hnb h GLU 132 CO 0.00 0.01 -1.02 -3.47 -1.00 0.00 0.00 179.01 173.53 2hnb n ASP 133 N -3.24 -4.44 0.23 1.42 2.03 -0.37 -4.86 116.55 107.32 2hnb n ASP 133 Ca -0.02 -1.18 0.16 0.00 0.52 0.00 0.00 54.79 54.26 2hnb n ASP 133 Cb 0.13 -1.79 0.77 0.00 -0.72 0.00 0.00 41.12 39.52 2hnb n ASP 133 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2hnb h PRO 134 N -1.92 0.00 -0.96 -0.67 0.13 -1.92 -2.81 132.00 123.84 2hnb h PRO 134 Ca -0.68 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.61 2hnb h PRO 134 Cb 1.40 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.44 2hnb h PRO 134 CO 0.47 0.00 0.61 0.00 -0.23 0.00 0.00 178.00 178.85 2hnb h ALA 135 N 2.05 1.76 -0.42 -0.56 0.00 -1.97 -1.38 119.26 118.75 2hnb h ALA 135 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2hnb h ALA 135 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2hnb h ALA 135 CO 0.00 -0.06 -0.02 1.49 0.00 0.00 0.00 179.25 180.66 2hnb h GLU 136 N 0.75 0.75 -0.40 0.00 4.81 -1.87 -0.05 114.58 118.57 2hnb h GLU 136 Ca 0.51 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 2hnb h GLU 136 Cb 0.81 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2hnb h GLU 136 CO -0.28 0.84 -0.31 0.93 -0.73 0.00 0.00 179.01 179.47 2hnb h GLU 137 N 0.59 0.92 -0.44 1.92 5.08 -1.57 -0.91 114.58 120.17 2hnb h GLU 137 Ca 0.12 -0.45 -0.10 0.00 -1.00 0.00 0.00 59.36 57.92 2hnb h GLU 137 Cb 0.52 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2hnb h GLU 137 CO 0.03 1.11 -0.15 -1.49 -1.00 0.00 0.00 179.01 177.50 2hnb h TRP 138 N 0.74 0.91 -0.49 4.33 6.55 -1.22 -0.53 115.95 126.24 2hnb h TRP 138 Ca 0.08 -0.19 -0.06 0.00 0.95 0.00 0.00 58.89 59.68 2hnb h TRP 138 Cb 0.89 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.95 2hnb h TRP 138 CO 0.06 0.91 0.09 1.25 -1.05 0.00 0.00 178.44 179.70 2hnb h LEU 139 N 0.73 0.77 -0.70 -4.49 7.12 -0.76 0.15 115.31 118.13 2hnb h LEU 139 Ca 0.11 -0.25 0.07 0.00 0.13 0.00 0.00 57.88 57.95 2hnb h LEU 139 Cb 0.66 -0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 40.52 2hnb h LEU 139 CO 0.05 0.82 0.37 1.23 -0.13 0.00 0.00 178.44 180.78 2hnb h GLY 140 N 0.68 1.03 1.02 3.75 0.00 -1.03 -1.51 103.07 107.01 2hnb h GLY 140 Ca 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2hnb h GLY 140 CO 0.01 0.12 0.22 1.76 0.00 0.00 0.00 176.54 178.64 2hnb h SER 141 N 0.66 0.94 -0.10 0.19 0.02 -0.47 -1.74 113.55 113.05 2hnb h SER 141 Ca 0.33 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2hnb h SER 141 Cb 0.27 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2hnb h SER 141 CO -0.22 0.89 0.06 -0.50 -1.14 0.00 0.00 176.83 175.92 2hnb h TRP 142 N 0.94 0.13 -0.10 3.45 6.55 -0.04 -2.03 115.95 124.83 2hnb h TRP 142 Ca 0.21 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.98 2hnb h TRP 142 Cb 0.27 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.52 2hnb h TRP 142 CO 0.02 0.09 -0.28 -0.39 -1.05 0.00 0.00 178.44 176.83 2hnb h VAL 143 N 0.13 1.24 0.00 1.49 -1.51 -1.20 0.62 116.25 117.02 2hnb h VAL 143 Ca 0.04 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2hnb h VAL 143 Cb -0.01 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2hnb h VAL 143 CO -0.01 0.34 0.00 -1.13 -1.23 0.00 0.00 177.57 175.54 2hnb h ASN 144 N 0.17 0.00 0.00 4.19 -0.73 -0.84 -1.41 115.58 116.95 2hnb h ASN 144 Ca 0.03 0.00 -0.42 0.00 1.87 0.00 0.00 56.30 57.78 2hnb h ASN 144 Cb 0.59 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.11 2hnb h ASN 144 CO 0.04 0.00 -2.43 0.18 -0.37 0.00 0.00 177.43 174.85 2hnb n LEU 145 N -2.91 2.15 0.20 0.34 7.99 -0.75 -4.52 117.00 119.50 2hnb n LEU 145 Ca 0.00 0.19 0.09 0.00 -0.01 0.00 0.00 56.01 56.28 2hnb n LEU 145 Cb 0.24 -0.79 0.33 0.00 -0.11 0.00 0.00 43.42 43.09 2hnb n LEU 145 CO 0.24 0.64 0.73 0.17 -1.51 0.00 0.00 177.39 177.66 2hnb h LEU 146 N -0.67 0.00 0.00 2.23 8.10 -0.95 -3.51 115.31 120.51 2hnb h LEU 146 Ca -0.63 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.36 2hnb h LEU 146 Cb 1.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.87 2hnb h LEU 146 CO -0.31 0.26 0.00 0.29 -4.11 0.00 0.00 178.44 174.56