#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb s ALA 2 N 0.00 1.56 0.18 -5.12 0.00 -1.26 -4.97 121.76 112.15 2hnb s ALA 2 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.07 2hnb s ALA 2 Cb 0.00 -3.22 0.12 0.00 0.00 0.00 0.00 23.12 20.02 2hnb s ALA 2 CO 0.00 -2.35 1.47 0.22 0.00 0.00 0.00 175.76 175.10 2hnb h ASP 3 N -1.55 0.00 -2.46 0.00 3.58 -1.92 -3.22 116.42 110.87 2hnb h ASP 3 Ca -0.49 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.36 2hnb h ASP 3 Cb 1.28 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.92 2hnb h ASP 3 CO 0.53 0.76 -0.70 -0.38 -2.88 0.00 0.00 179.24 176.57 2hnb n ILE 4 N -3.56 1.31 -2.37 2.25 5.41 -0.81 -3.98 119.36 117.61 2hnb n ILE 4 Ca -0.00 -4.74 -0.43 0.00 1.00 0.00 0.00 62.75 58.57 2hnb n ILE 4 Cb 0.75 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 37.60 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 -1.71 4.06 0.59 1.39 2.01 -1.22 -3.54 115.64 117.23 2hnb s THR 5 Ca 0.34 1.19 -0.15 0.00 0.31 0.00 0.00 61.69 63.38 2hnb s THR 5 Cb 0.08 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2hnb s THR 5 CO -0.09 -0.45 1.05 -0.76 -0.69 0.00 0.00 174.62 173.67 2hnb s LEU 6 N 4.54 3.48 -0.26 4.42 1.02 0.70 -3.22 118.68 129.35 2hnb s LEU 6 Ca 0.59 1.77 0.00 0.00 0.02 0.00 0.00 54.13 56.51 2hnb s LEU 6 Cb -0.18 -4.53 0.04 0.00 0.02 0.00 0.00 46.19 41.55 2hnb s LEU 6 CO 0.24 -1.13 -0.07 -0.63 0.02 0.00 0.00 176.35 174.79 2hnb s ILE 7 N -2.53 2.62 0.20 -0.59 1.01 0.23 -1.19 121.20 120.95 2hnb s ILE 7 Ca 0.63 -1.34 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2hnb s ILE 7 Cb -0.15 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2hnb s ILE 7 CO 0.38 0.04 -0.07 -0.44 0.00 0.00 0.00 174.94 174.85 2hnb s SER 8 N 1.22 4.35 0.00 3.58 0.01 0.61 -0.71 113.70 122.77 2hnb s SER 8 Ca -0.04 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2hnb s SER 8 Cb -0.19 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2hnb s SER 8 CO -0.04 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2hnb n GLY 9 N -0.16 2.24 3.10 3.44 0.00 -1.13 -1.21 105.19 111.47 2hnb n GLY 9 Ca -0.10 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -1.06 0.18 1.61 1.04 -1.26 -2.99 113.70 111.21 2hnb s SER 10 Ca 0.00 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 2hnb s SER 10 Cb 0.00 1.93 0.07 0.00 0.10 0.00 0.00 66.02 68.12 2hnb s SER 10 CO 0.00 -0.27 1.49 0.71 0.98 0.00 0.00 173.24 176.14 2hnb h THR 11 N 6.04 1.31 -0.15 2.02 1.35 -1.97 -3.14 112.91 118.37 2hnb h THR 11 Ca -0.20 -1.77 -0.14 0.00 -0.55 0.00 0.00 66.41 63.75 2hnb h THR 11 Cb 1.16 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 2hnb h THR 11 CO 0.25 0.56 -0.51 0.17 -0.25 0.00 0.00 175.52 175.74 2hnb h LEU 12 N 0.49 0.45 0.00 3.87 8.10 -1.99 -3.50 115.31 122.73 2hnb h LEU 12 Ca 0.01 -0.23 0.00 0.00 0.11 0.00 0.00 57.88 57.78 2hnb h LEU 12 Cb 1.10 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.19 2hnb h LEU 12 CO 0.11 0.88 0.00 0.61 -4.11 0.00 0.00 178.44 175.93 2hnb n GLY 13 N 0.12 3.46 0.00 0.17 0.00 -1.19 -5.10 105.19 102.66 2hnb n GLY 13 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.23 3.20 0.23 -0.02 0.00 -1.26 -4.87 105.19 101.24 2hnb n GLY 14 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 1.40 0.00 4.61 0.00 -1.88 0.47 119.26 123.86 2hnb h ALA 15 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2hnb h ALA 15 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hnb h ALA 15 CO 0.00 0.28 -0.02 0.93 0.00 0.00 0.00 179.25 180.44 2hnb h GLU 16 N 0.00 0.00 0.00 0.00 5.08 -1.89 -0.18 114.58 117.59 2hnb h GLU 16 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2hnb h GLU 16 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2hnb h GLU 16 CO 0.03 0.02 -1.82 0.98 -1.00 0.00 0.00 179.01 177.22 2hnb n TYR 17 N -4.21 0.41 -0.29 4.33 9.36 -0.68 -4.32 117.16 121.77 2hnb n TYR 17 Ca -0.03 0.18 -0.03 0.00 3.32 0.00 0.00 57.90 61.34 2hnb n TYR 17 Cb 0.10 -0.97 0.13 0.00 -0.63 0.00 0.00 39.34 37.97 2hnb n TYR 17 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2hnb h VAL 18 N -1.00 1.25 -0.54 2.97 2.07 -0.84 -0.67 116.25 119.48 2hnb h VAL 18 Ca -0.47 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2hnb h VAL 18 Cb 1.37 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2hnb h VAL 18 CO -0.28 0.28 0.04 0.00 0.02 0.00 0.00 177.57 177.63 2hnb h ALA 19 N 1.32 1.05 -0.43 1.67 0.00 -1.26 -0.06 119.26 121.54 2hnb h ALA 19 Ca 0.29 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2hnb h ALA 19 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2hnb h ALA 19 CO -0.05 0.60 -0.19 1.49 0.00 0.00 0.00 179.25 181.10 2hnb h GLU 20 N 0.84 0.89 -0.06 0.00 4.81 -1.49 0.09 114.58 119.66 2hnb h GLU 20 Ca 0.17 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2hnb h GLU 20 Cb 0.44 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2hnb h GLU 20 CO 0.02 1.03 0.04 1.25 -0.73 0.00 0.00 179.01 180.61 2hnb h HIS 21 N 0.72 0.08 -0.66 0.92 2.76 -0.90 -0.90 115.15 117.17 2hnb h HIS 21 Ca 0.10 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2hnb h HIS 21 Cb 0.76 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 2hnb h HIS 21 CO 0.06 0.07 0.44 -0.07 -1.30 0.00 0.00 177.93 177.12 2hnb h LEU 22 N 0.06 0.76 -0.59 0.26 3.38 -0.91 -0.29 115.31 117.98 2hnb h LEU 22 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hnb h LEU 22 Cb 0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2hnb h LEU 22 CO -0.00 0.55 0.35 0.00 0.09 0.00 0.00 178.44 179.43 2hnb h ALA 23 N 1.24 0.75 -0.46 1.53 0.00 -0.75 -0.81 119.26 120.76 2hnb h ALA 23 Ca 0.24 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2hnb h ALA 23 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2hnb h ALA 23 CO -0.05 0.23 -0.00 1.49 0.00 0.00 0.00 179.25 180.92 2hnb h GLU 24 N 0.79 0.81 -1.00 0.00 4.81 -0.76 -2.04 114.58 117.19 2hnb h GLU 24 Ca 0.21 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2hnb h GLU 24 Cb -0.01 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2hnb h GLU 24 CO -0.04 0.87 0.66 0.87 -0.73 0.00 0.00 179.01 180.64 2hnb h LYS 25 N 0.66 1.29 0.00 1.92 1.79 -0.76 -1.54 116.57 119.92 2hnb h LYS 25 Ca 0.13 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 2hnb h LYS 25 Cb 0.50 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2hnb h LYS 25 CO 0.02 0.85 -0.38 -0.07 -1.08 0.00 0.00 179.45 178.79 2hnb h LEU 26 N 1.33 0.00 -0.79 2.94 3.38 -0.89 -0.50 115.31 120.77 2hnb h LEU 26 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 2hnb h LEU 26 Cb -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2hnb h LEU 26 CO -0.09 0.38 0.01 -0.33 0.09 0.00 0.00 178.44 178.50 2hnb h GLU 27 N 0.00 0.92 -0.65 1.13 5.08 -0.57 0.08 114.58 120.56 2hnb h GLU 27 Ca -0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 2hnb h GLU 27 Cb 0.71 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2hnb h GLU 27 CO 0.05 0.91 0.12 0.93 -1.00 0.00 0.00 179.01 180.02 2hnb h GLU 28 N 0.85 1.06 0.00 2.33 5.08 -0.78 -2.57 114.58 120.56 2hnb h GLU 28 Ca 0.16 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2hnb h GLU 28 Cb 0.49 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2hnb h GLU 28 CO 0.02 0.96 -0.07 0.00 -1.00 0.00 0.00 179.01 178.92 2hnb h ALA 29 N 1.13 1.06 0.00 3.43 0.00 -0.69 -3.47 119.26 120.71 2hnb h ALA 29 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hnb h ALA 29 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2hnb h ALA 29 CO 0.01 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2hnb n GLY 30 N -0.23 1.89 3.27 0.00 0.00 -0.13 -5.07 105.19 104.92 2hnb n GLY 30 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 1.76 0.44 1.61 0.08 -0.38 -5.01 117.98 114.48 2hnb s PHE 31 Ca 0.00 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.41 2hnb s PHE 31 Cb 0.00 -0.99 -0.08 0.00 -0.57 0.00 0.00 43.02 41.38 2hnb s PHE 31 CO 0.00 0.16 1.12 0.95 -0.10 0.00 0.00 175.22 177.35 2hnb s THR 32 N -1.04 3.35 0.06 0.64 -4.23 -1.26 -3.62 115.64 109.53 2hnb s THR 32 Ca 0.06 1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2hnb s THR 32 Cb -0.10 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 2hnb s THR 32 CO 0.03 -0.01 -0.04 0.42 -0.54 0.00 0.00 174.62 174.49 2hnb s THR 33 N -1.60 0.31 0.13 3.99 -4.23 -1.26 -1.93 115.64 111.05 2hnb s THR 33 Ca 0.61 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 2hnb s THR 33 Cb -0.26 -1.56 0.01 0.00 1.34 0.00 0.00 72.50 72.03 2hnb s THR 33 CO 0.32 -0.97 0.30 -0.70 -0.54 0.00 0.00 174.62 173.03 2hnb s GLU 34 N -3.90 1.03 -0.48 3.99 2.56 -1.23 -4.78 118.70 115.88 2hnb s GLU 34 Ca 0.08 -0.94 0.04 0.00 0.00 0.00 0.00 54.97 54.15 2hnb s GLU 34 Cb 0.07 0.40 0.17 0.00 2.00 0.00 0.00 34.13 36.77 2hnb s GLU 34 CO -0.09 -0.37 0.36 0.95 -0.56 0.00 0.00 175.26 175.55 2hnb s THR 35 N -3.87 1.03 -0.49 -1.70 -4.23 -1.26 -0.22 115.64 104.91 2hnb s THR 35 Ca 0.08 -2.99 -0.28 0.00 -1.18 0.00 0.00 61.69 57.32 2hnb s THR 35 Cb 0.03 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 2hnb s THR 35 CO -0.08 -1.14 1.67 -0.76 -0.54 0.00 0.00 174.62 173.77 2hnb s LEU 36 N -0.23 3.42 -0.66 4.79 1.43 -0.33 -4.77 118.68 122.33 2hnb s LEU 36 Ca 0.29 0.68 -0.27 0.00 -1.03 0.00 0.00 54.13 53.79 2hnb s LEU 36 Cb -0.02 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.14 2hnb s LEU 36 CO -0.16 -1.88 1.30 -1.00 0.23 0.00 0.00 176.35 174.84 2hnb s HIS 37 N 7.16 2.35 -0.82 0.29 3.76 -1.26 -0.28 115.29 126.50 2hnb s HIS 37 Ca 0.66 0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 55.76 2hnb s HIS 37 Cb -0.15 -4.53 -0.03 0.00 1.11 0.00 0.00 32.58 28.97 2hnb s HIS 37 CO 0.27 -1.92 0.70 0.41 -0.85 0.00 0.00 174.74 173.35 2hnb n GLY 38 N 5.28 -0.47 3.57 -2.22 0.00 -0.35 -4.98 105.19 106.02 2hnb n GLY 38 Ca 0.07 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 2hnb n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hnb s PRO 39 N -4.36 -1.43 0.20 1.61 0.04 -1.26 -4.85 135.00 124.94 2hnb s PRO 39 Ca 0.22 -0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.26 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 0.55 -3.84 -0.17 -0.51 0.04 0.00 0.00 177.00 173.07 2hnb s LEU 40 N -7.02 2.51 0.51 -3.56 1.43 -1.26 -4.40 118.68 106.89 2hnb s LEU 40 Ca 0.71 -0.96 0.25 0.00 -1.03 0.00 0.00 54.13 53.10 2hnb s LEU 40 Cb -0.09 -0.80 1.34 0.00 0.03 0.00 0.00 46.19 46.68 2hnb s LEU 40 CO 0.56 -0.09 1.95 0.25 0.23 0.00 0.00 176.35 179.25 2hnb h LEU 41 N 2.80 0.09 -0.19 1.79 7.12 -1.89 -1.55 115.31 123.47 2hnb h LEU 41 Ca -0.40 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.62 2hnb h LEU 41 Cb 1.22 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2hnb h LEU 41 CO 0.57 0.04 0.00 -0.62 -0.13 0.00 0.00 178.44 178.31 2hnb n GLU 42 N -4.37 0.02 -0.32 1.25 -0.58 -1.26 -2.18 120.64 113.20 2hnb n GLU 42 Ca 0.13 0.46 0.03 0.00 -0.42 0.00 0.00 57.16 57.36 2hnb n GLU 42 Cb 0.69 -1.57 0.04 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.61 0.71 -3.70 1.62 2.03 -0.59 -5.03 116.55 109.97 2hnb n ASP 43 Ca 0.01 -2.20 -0.28 0.00 0.52 0.00 0.00 54.79 52.84 2hnb n ASP 43 Cb 0.05 -0.23 -0.16 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.81 1.35 0.75 -2.67 1.98 -0.93 -4.94 118.68 113.41 2hnb s LEU 44 Ca 0.09 -1.09 -0.11 0.00 -2.89 0.00 0.00 54.13 50.12 2hnb s LEU 44 Cb 0.07 -0.62 0.04 0.00 0.66 0.00 0.00 46.19 46.34 2hnb s LEU 44 CO 0.01 -0.35 1.08 -2.16 -1.89 0.00 0.00 176.35 173.03 2hnb s PRO 45 N 1.84 2.51 0.00 0.98 0.04 -1.26 -4.88 135.00 134.22 2hnb s PRO 45 Ca 0.03 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.05 2hnb s PRO 45 Cb -0.17 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.86 2hnb s PRO 45 CO -0.16 -1.39 1.17 0.00 0.04 0.00 0.00 177.00 176.65 2hnb n ALA 46 N -3.32 2.42 -3.72 8.56 0.00 -1.26 -4.70 120.51 118.48 2hnb n ALA 46 Ca 0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2hnb n ALA 46 Cb 0.54 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.36 -0.26 0.00 0.00 0.01 -1.26 -2.69 113.70 108.15 2hnb s SER 47 Ca 0.11 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2hnb s SER 47 Cb 0.05 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2hnb s SER 47 CO 0.08 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2hnb n GLY 48 N 4.26 -1.29 3.14 3.44 0.00 -1.18 -4.90 105.19 108.67 2hnb n GLY 48 Ca -0.25 -1.59 -0.36 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 -1.60 3.30 0.41 -0.61 1.01 -1.26 -1.29 121.20 121.16 2hnb s ILE 49 Ca 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 60.65 58.81 2hnb s ILE 49 Cb 0.00 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.28 2hnb s ILE 49 CO 0.00 -0.59 0.56 0.26 0.00 0.00 0.00 174.94 175.17 2hnb s TRP 50 N 1.18 2.89 -0.19 3.97 0.23 -0.10 -3.55 118.94 123.37 2hnb s TRP 50 Ca 0.06 -0.33 -0.04 0.00 -2.03 0.00 0.00 56.10 53.76 2hnb s TRP 50 Cb -0.22 -2.31 0.09 0.00 0.03 0.00 0.00 33.47 31.06 2hnb s TRP 50 CO -0.03 -0.35 0.26 -1.17 0.96 0.00 0.00 176.95 176.63 2hnb s LEU 51 N -4.33 -0.26 -0.14 2.99 2.96 -1.20 -2.51 118.68 116.18 2hnb s LEU 51 Ca 0.53 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 2hnb s LEU 51 Cb -0.10 0.61 -0.05 0.00 0.50 0.00 0.00 46.19 47.16 2hnb s LEU 51 CO 0.33 -0.30 0.20 -0.69 -1.32 0.00 0.00 176.35 174.57 2hnb s VAL 52 N 2.39 5.38 -0.07 1.68 1.01 0.04 -0.60 120.40 130.23 2hnb s VAL 52 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2hnb s VAL 52 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2hnb s VAL 52 CO -0.12 0.50 -0.05 -0.63 0.00 0.00 0.00 175.10 174.80 2hnb s ILE 53 N -0.23 0.69 0.01 2.22 1.09 0.11 -1.44 121.20 123.64 2hnb s ILE 53 Ca 0.14 -0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.55 2hnb s ILE 53 Cb -0.12 -0.73 -0.01 0.00 -1.06 0.00 0.00 42.46 40.54 2hnb s ILE 53 CO 0.03 0.28 -0.03 -0.94 -0.10 0.00 0.00 174.94 174.19 2hnb s SER 54 N 1.32 0.29 0.98 3.58 1.04 -1.08 -2.84 113.70 116.99 2hnb s SER 54 Ca -0.04 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.05 2hnb s SER 54 Cb -0.14 0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.18 2hnb s SER 54 CO -0.03 -0.07 1.23 -0.94 0.98 0.00 0.00 173.24 174.41 2hnb s SER 55 N -0.51 2.94 -0.09 7.02 1.04 -1.16 -2.04 113.70 120.90 2hnb s SER 55 Ca -0.04 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2hnb s SER 55 Cb -0.04 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.33 2hnb s SER 55 CO -0.00 -2.87 -0.07 -0.89 0.98 0.00 0.00 173.24 170.39 2hnb s THR 56 N -3.56 0.91 0.20 2.02 2.01 0.19 -4.12 115.64 113.29 2hnb s THR 56 Ca 0.70 -0.26 0.30 0.00 0.31 0.00 0.00 61.69 62.74 2hnb s THR 56 Cb -0.08 -0.92 0.32 0.00 0.01 0.00 0.00 72.50 71.83 2hnb s THR 56 CO 0.53 0.33 1.97 0.45 -0.69 0.00 0.00 174.62 177.22 2hnb h HIS 57 N 7.80 0.00 0.00 4.92 3.86 -1.78 -3.43 115.15 126.52 2hnb h HIS 57 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2hnb h HIS 57 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2hnb h HIS 57 CO 0.48 0.10 0.00 0.41 0.86 0.00 0.00 177.93 179.78 2hnb n GLY 58 N -0.12 1.42 0.36 2.45 0.00 -1.26 -5.00 105.19 103.03 2hnb n GLY 58 Ca -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 2.53 -0.01 4.61 0.00 -1.26 -1.29 120.51 125.08 2hnb n ALA 59 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.96 2hnb n ALA 59 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.99 0.45 3.63 0.00 0.00 -1.26 -4.90 105.19 102.12 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 -2.89 6.40 0.50 1.61 2.15 -1.26 -4.48 116.67 118.70 2hnb s ASP 61 Ca 0.00 1.54 -0.21 0.00 0.43 0.00 0.00 52.55 54.31 2hnb s ASP 61 Cb 0.00 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 2hnb s ASP 61 CO 0.00 -1.25 1.17 -0.63 -0.17 0.00 0.00 175.17 174.28 2hnb s ILE 62 N 5.15 3.03 0.31 4.11 1.01 -1.26 -2.31 121.20 131.24 2hnb s ILE 62 Ca 0.70 0.72 -0.29 0.00 0.00 0.00 0.00 60.65 61.78 2hnb s ILE 62 Cb -0.24 -3.34 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 2hnb s ILE 62 CO 0.29 -0.06 1.40 -0.81 0.00 0.00 0.00 174.94 175.75 2hnb n PRO 63 N -0.85 2.26 0.29 2.79 -0.04 -1.26 -4.68 135.00 133.51 2hnb n PRO 63 Ca 0.09 0.80 0.17 0.00 -0.04 0.00 0.00 63.50 64.52 2hnb n PRO 63 Cb 0.49 -2.45 0.90 0.00 -0.04 0.00 0.00 33.50 32.40 2hnb n PRO 63 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2hnb h ASP 64 N 3.47 0.00 0.90 3.54 3.58 -1.97 0.50 116.42 126.43 2hnb h ASP 64 Ca -0.46 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.93 2hnb h ASP 64 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2hnb h ASP 64 CO 0.69 0.05 -0.26 -0.55 -2.88 0.00 0.00 179.24 176.29 2hnb h ASN 65 N 0.00 0.00 0.00 2.28 -1.07 -1.96 -3.37 115.58 111.46 2hnb h ASN 65 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2hnb h ASN 65 Cb 0.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 2hnb h ASN 65 CO 0.01 0.26 -0.90 -0.11 0.07 0.00 0.00 177.43 176.75 2hnb n LEU 66 N -3.43 0.00 0.08 6.14 7.94 -0.53 -4.25 117.00 122.95 2hnb n LEU 66 Ca 0.00 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.09 2hnb n LEU 66 Cb 0.44 0.00 0.73 0.00 0.53 0.00 0.00 43.42 45.12 2hnb n LEU 66 CO 0.34 0.00 1.17 0.77 -1.11 0.00 0.00 177.39 178.56 2hnb h SER 67 N 0.00 0.00 -0.30 1.96 4.64 -1.11 -0.56 113.55 118.18 2hnb h SER 67 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2hnb h SER 67 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2hnb h SER 67 CO 0.00 0.00 0.40 -0.65 -0.87 0.00 0.00 176.83 175.71 2hnb h PRO 68 N 0.00 0.00 -0.54 4.77 0.11 -1.85 -1.60 132.00 132.89 2hnb h PRO 68 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2hnb h PRO 68 Cb 0.85 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 2hnb h PRO 68 CO -0.00 0.00 0.27 0.35 -0.21 0.00 0.00 178.00 178.41 2hnb h PHE 69 N 0.00 0.76 -0.95 0.65 3.57 -1.30 0.02 116.94 119.69 2hnb h PHE 69 Ca 0.14 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2hnb h PHE 69 Cb 0.93 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2hnb h PHE 69 CO 0.00 0.57 0.57 -0.92 -2.23 0.00 0.00 178.31 176.30 2hnb h TYR 70 N 0.72 1.26 -0.07 0.41 3.20 -1.47 -1.54 116.97 119.47 2hnb h TYR 70 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2hnb h TYR 70 Cb 0.09 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 2hnb h TYR 70 CO -0.01 0.84 -0.05 0.93 -1.64 0.00 0.00 178.16 178.23 2hnb h GLU 71 N 1.31 0.16 0.00 1.82 5.08 -1.38 -2.33 114.58 119.25 2hnb h GLU 71 Ca 0.34 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2hnb h GLU 71 Cb -0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2hnb h GLU 71 CO -0.06 0.55 -0.35 0.00 -1.00 0.00 0.00 179.01 178.15 2hnb h ALA 72 N 0.61 1.29 0.49 3.43 0.00 -0.84 -0.27 119.26 123.97 2hnb h ALA 72 Ca 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2hnb h ALA 72 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hnb h ALA 72 CO 0.01 0.43 -0.24 -0.07 0.00 0.00 0.00 179.25 179.39 2hnb h LEU 73 N 0.00 -0.56 -1.33 0.00 3.38 -1.30 -3.22 115.31 112.29 2hnb h LEU 73 Ca -0.00 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2hnb h LEU 73 Cb 0.67 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2hnb h LEU 73 CO 0.05 -0.17 -0.33 0.06 0.09 0.00 0.00 178.44 178.14 2hnb h GLN 74 N -1.04 0.00 -0.06 1.13 3.07 -1.12 0.15 115.11 117.24 2hnb h GLN 74 Ca -0.07 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.60 2hnb h GLN 74 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2hnb h GLN 74 CO 0.11 0.33 -0.31 1.49 0.09 0.00 0.00 178.83 180.54 2hnb h GLU 75 N 0.00 0.11 0.00 0.06 4.81 -1.17 -3.35 114.58 115.04 2hnb h GLU 75 Ca -0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2hnb h GLU 75 Cb 0.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2hnb h GLU 75 CO 0.04 0.41 -1.28 1.04 -0.73 0.00 0.00 179.01 178.50 2hnb n GLN 76 N -4.14 1.13 -3.82 1.92 6.02 -0.86 -5.05 117.38 112.59 2hnb n GLN 76 Ca -0.02 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.64 2hnb n GLN 76 Cb 0.38 -1.13 0.01 0.00 1.02 0.00 0.00 30.24 30.52 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 -1.85 -0.95 -0.71 -1.09 4.81 0.47 -4.95 118.16 113.90 2hnb n LYS 77 Ca -0.03 0.40 -0.28 0.00 -0.87 0.00 0.00 58.31 57.52 2hnb n LYS 77 Cb 0.31 -1.99 0.23 0.00 0.02 0.00 0.00 35.03 33.59 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 -5.66 -0.50 -0.49 1.64 0.04 -1.26 -4.97 135.00 123.80 2hnb s PRO 78 Ca 0.17 0.80 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 2hnb s PRO 78 Cb -0.10 -1.61 0.04 0.00 0.04 0.00 0.00 34.50 32.88 2hnb s PRO 78 CO 0.83 -3.43 0.66 0.34 0.04 0.00 0.00 177.00 175.43 2hnb s ASP 79 N -2.76 6.27 -0.18 6.66 2.15 -1.26 -4.54 116.67 123.00 2hnb s ASP 79 Ca 0.68 -0.65 0.14 0.00 0.43 0.00 0.00 52.55 53.14 2hnb s ASP 79 Cb -0.23 -2.31 0.37 0.00 -0.30 0.00 0.00 42.92 40.45 2hnb s ASP 79 CO 0.62 -0.88 1.19 0.18 -0.17 0.00 0.00 175.17 176.12 2hnb n LEU 80 N 6.32 2.57 -0.43 -1.34 4.77 0.12 -4.78 117.00 124.23 2hnb n LEU 80 Ca -0.04 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 2hnb n LEU 80 Cb 0.46 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2hnb n LEU 80 CO 0.55 1.14 0.02 -1.20 -1.33 0.00 0.00 177.39 176.57 2hnb n SER 81 N -1.24 0.07 0.00 -1.43 7.64 -1.24 -1.26 113.62 116.16 2hnb n SER 81 Ca 0.18 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2hnb n SER 81 Cb 0.67 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.33 0.32 -1.75 -0.43 0.00 -1.21 -4.85 120.51 112.91 2hnb n ALA 82 Ca 0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 2hnb n ALA 82 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 4.04 -0.03 0.00 1.01 -0.39 -3.09 120.40 121.94 2hnb s VAL 83 Ca 0.00 2.01 0.06 0.00 0.00 0.00 0.00 61.98 64.05 2hnb s VAL 83 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2hnb s VAL 83 CO 0.00 0.45 -0.21 -0.13 0.00 0.00 0.00 175.10 175.21 2hnb s ARG 84 N -1.29 1.83 0.27 2.72 1.81 -0.41 -2.84 118.95 121.03 2hnb s ARG 84 Ca 0.42 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.71 2hnb s ARG 84 Cb -0.26 -1.70 -0.05 0.00 -0.45 0.00 0.00 34.95 32.50 2hnb s ARG 84 CO 0.32 0.40 0.11 -0.59 -0.68 0.00 0.00 175.30 174.85 2hnb s PHE 85 N -0.34 1.56 0.20 -0.53 -0.12 -0.92 -0.92 117.98 116.92 2hnb s PHE 85 Ca 0.04 -1.21 0.05 0.00 -0.05 0.00 0.00 56.93 55.76 2hnb s PHE 85 Cb -0.10 -0.91 -0.05 0.00 -0.63 0.00 0.00 43.02 41.34 2hnb s PHE 85 CO 0.00 -0.36 -0.06 0.20 -0.05 0.00 0.00 175.22 174.96 2hnb s GLY 86 N -3.33 1.40 -0.12 1.99 0.00 -1.04 -0.96 107.32 105.25 2hnb s GLY 86 Ca 0.37 -1.67 -0.05 0.00 0.00 0.00 0.00 44.72 43.37 2hnb s GLY 86 CO 0.14 -1.67 0.26 0.00 0.00 0.00 0.00 173.10 171.83 2hnb s ALA 87 N -3.29 -0.57 -0.07 3.20 0.00 -1.26 -0.78 121.76 118.99 2hnb s ALA 87 Ca 0.24 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 2hnb s ALA 87 Cb 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2hnb s ALA 87 CO 0.06 -0.44 -0.04 0.42 0.00 0.00 0.00 175.76 175.76 2hnb s ILE 88 N 1.90 0.59 0.18 0.00 1.01 -0.52 -2.11 121.20 122.24 2hnb s ILE 88 Ca -0.04 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2hnb s ILE 88 Cb -0.11 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 2hnb s ILE 88 CO -0.09 0.27 0.29 -0.83 0.00 0.00 0.00 174.94 174.58 2hnb s GLY 89 N 1.45 1.54 -0.01 6.18 0.00 -0.51 -2.64 107.32 113.33 2hnb s GLY 89 Ca -0.02 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.59 2hnb s GLY 89 CO -0.03 -1.13 -0.06 -0.42 0.00 0.00 0.00 173.10 171.45 2hnb s ILE 90 N -1.83 0.52 -1.71 0.90 1.01 -0.86 -1.24 121.20 117.98 2hnb s ILE 90 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2hnb s ILE 90 Cb -0.10 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2hnb s ILE 90 CO 0.28 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2hnb n GLY 91 N 3.01 -0.68 3.13 6.18 0.00 -0.84 -0.64 105.19 115.36 2hnb n GLY 91 Ca -0.14 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 2hnb n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hnb s SER 92 N -4.00 2.15 0.02 1.61 0.01 -1.26 -1.27 113.70 110.95 2hnb s SER 92 Ca 0.00 -0.35 0.10 0.00 1.31 0.00 0.00 55.95 57.01 2hnb s SER 92 Cb 0.00 -0.59 0.45 0.00 0.21 0.00 0.00 66.02 66.09 2hnb s SER 92 CO 0.00 0.15 1.33 -2.11 0.41 0.00 0.00 173.24 173.03 2hnb n ARG 93 N 3.14 0.01 0.11 12.44 1.85 -1.26 -1.01 116.66 131.94 2hnb n ARG 93 Ca -0.18 0.34 0.13 0.00 -1.00 0.00 0.00 57.85 57.14 2hnb n ARG 93 Cb 0.53 -1.52 0.40 0.00 -1.05 0.00 0.00 32.46 30.81 2hnb n ARG 93 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2hnb h GLU 94 N 0.00 0.00 -7.07 2.89 5.08 -2.02 -3.47 114.58 109.99 2hnb h GLU 94 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2hnb h GLU 94 Cb 0.17 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.54 2hnb h GLU 94 CO 0.00 0.00 0.51 0.71 -1.00 0.00 0.00 179.01 179.23 2hnb s TYR 95 N -3.11 2.40 0.31 4.33 2.02 -0.18 -4.94 117.35 118.18 2hnb s TYR 95 Ca 0.10 1.48 0.04 0.00 -0.37 0.00 0.00 57.07 58.33 2hnb s TYR 95 Cb 0.12 -3.56 0.53 0.00 -0.40 0.00 0.00 41.96 38.64 2hnb s TYR 95 CO 0.60 -2.35 1.80 0.22 -1.57 0.00 0.00 175.55 174.25 2hnb h ASP 96 N 1.14 0.45 -1.62 2.29 3.58 -1.87 -3.05 116.42 117.34 2hnb h ASP 96 Ca -0.50 -0.12 -0.60 0.00 0.42 0.00 0.00 57.03 56.23 2hnb h ASP 96 Cb 1.30 -0.12 -0.41 0.00 1.72 0.00 0.00 39.33 41.81 2hnb h ASP 96 CO 0.56 0.62 -0.66 0.41 -2.88 0.00 0.00 179.24 177.29 2hnb n THR 97 N -4.20 2.50 -1.48 2.25 -1.04 -0.42 -5.02 114.28 106.88 2hnb n THR 97 Ca 0.00 -5.00 -0.58 0.00 -2.04 0.00 0.00 64.05 56.44 2hnb n THR 97 Cb 0.33 -1.28 -0.09 0.00 -1.82 0.00 0.00 70.33 67.46 2hnb n THR 97 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2hnb n PHE 98 N -0.45 1.59 -3.20 -1.42 7.35 -1.16 -1.20 117.46 118.97 2hnb n PHE 98 Ca 0.39 0.62 -0.20 0.00 -0.76 0.00 0.00 57.45 57.49 2hnb n PHE 98 Cb 0.62 -2.40 -0.01 0.00 0.35 0.00 0.00 39.48 38.04 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hnb n GLY 100 N -1.04 -1.02 0.25 0.00 0.00 -0.34 -4.27 105.19 98.77 2hnb n GLY 100 Ca -0.03 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 2.38 1.37 -0.08 4.61 0.00 -1.78 -1.78 119.26 123.98 2hnb h ALA 101 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2hnb h ALA 101 Cb 0.81 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hnb h ALA 101 CO 0.00 0.17 0.06 0.97 0.00 0.00 0.00 179.25 180.45 2hnb h ILE 102 N 0.00 0.93 -0.73 0.00 -0.00 -1.84 -2.67 117.51 113.20 2hnb h ILE 102 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 65.00 2hnb h ILE 102 Cb 0.33 0.96 -0.05 0.00 -0.00 0.00 0.00 36.82 38.06 2hnb h ILE 102 CO 0.02 0.00 0.49 -0.78 -0.00 0.00 0.00 178.15 177.87 2hnb h ASP 103 N 0.00 0.39 0.39 2.19 3.58 -1.63 -1.25 116.42 120.09 2hnb h ASP 103 Ca 0.04 0.02 -0.32 0.00 0.42 0.00 0.00 57.03 57.19 2hnb h ASP 103 Cb 0.15 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.16 2hnb h ASP 103 CO -0.00 0.21 -1.47 0.11 -2.88 0.00 0.00 179.24 175.21 2hnb h LYS 104 N 0.42 0.40 -0.02 0.28 1.79 -1.68 -0.89 116.57 116.87 2hnb h LYS 104 Ca 0.35 -0.68 0.02 0.00 -2.18 0.00 0.00 60.65 58.16 2hnb h LYS 104 Cb 0.78 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 2hnb h LYS 104 CO -0.11 1.31 -0.07 -0.07 -1.08 0.00 0.00 179.45 179.43 2hnb h LEU 105 N 0.11 -0.20 -0.76 2.94 3.38 -1.51 -2.73 115.31 116.54 2hnb h LEU 105 Ca -0.23 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2hnb h LEU 105 Cb 2.08 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.91 2hnb h LEU 105 CO 0.22 -0.10 -0.51 1.05 0.09 0.00 0.00 178.44 179.19 2hnb h GLU 106 N -0.11 0.27 -0.72 1.13 4.11 -1.27 -2.71 114.58 115.28 2hnb h GLU 106 Ca 0.04 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2hnb h GLU 106 Cb 0.16 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2hnb h GLU 106 CO -0.09 0.72 0.46 0.00 0.07 0.00 0.00 179.01 180.17 2hnb h ALA 107 N 1.25 1.45 0.00 1.06 0.00 -0.99 -0.42 119.26 121.61 2hnb h ALA 107 Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2hnb h ALA 107 Cb 0.98 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2hnb h ALA 107 CO 0.08 0.49 -0.88 0.93 0.00 0.00 0.00 179.25 179.87 2hnb h GLU 108 N 0.98 0.00 -0.29 0.00 4.39 -1.25 -0.24 114.58 118.17 2hnb h GLU 108 Ca 0.26 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 2hnb h GLU 108 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2hnb h GLU 108 CO -0.05 0.88 0.06 -0.07 -1.16 0.00 0.00 179.01 178.66 2hnb h LEU 109 N 0.00 0.46 -0.66 1.33 3.38 -1.14 -0.78 115.31 117.90 2hnb h LEU 109 Ca -0.01 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2hnb h LEU 109 Cb 1.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2hnb h LEU 109 CO 0.11 0.59 -0.56 0.07 0.09 0.00 0.00 178.44 178.75 2hnb h LYS 110 N 0.31 0.33 -0.90 1.13 2.10 -1.04 -1.16 116.57 117.33 2hnb h LYS 110 Ca 0.09 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 2hnb h LYS 110 Cb 0.32 0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.64 2hnb h LYS 110 CO 0.00 0.80 0.52 -0.97 -2.00 0.00 0.00 179.45 177.80 2hnb h ASN 111 N 0.25 1.10 0.47 7.07 -1.24 -1.02 -1.21 115.58 121.01 2hnb h ASN 111 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.93 2hnb h ASN 111 Cb 1.06 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2hnb h ASN 111 CO 0.09 0.87 0.00 -1.20 -1.29 0.00 0.00 177.43 175.90 2hnb n SER 112 N -4.34 0.00 0.00 1.15 7.64 -0.30 -4.89 113.62 112.88 2hnb n SER 112 Ca 0.10 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2hnb n SER 112 Cb 0.08 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.28 1.84 3.48 0.23 0.00 -0.46 -0.70 105.19 109.87 2hnb n GLY 113 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2hnb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb s ALA 114 N -1.98 -0.19 -0.00 4.61 0.00 -0.54 -4.19 121.76 119.48 2hnb s ALA 114 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 2hnb s ALA 114 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2hnb s ALA 114 CO 0.00 -3.88 0.11 0.15 0.00 0.00 0.00 175.76 172.15 2hnb s LYS 115 N -4.86 0.40 0.88 0.00 1.02 -1.13 -4.14 119.74 111.91 2hnb s LYS 115 Ca 0.68 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 56.24 2hnb s LYS 115 Cb -0.18 0.16 0.11 0.00 -0.52 0.00 0.00 37.83 37.40 2hnb s LYS 115 CO 0.60 -0.09 1.06 0.94 -0.92 0.00 0.00 175.35 176.94 2hnb n GLN 116 N 1.76 -0.22 -4.13 1.68 -0.06 -1.26 -2.16 117.38 112.99 2hnb n GLN 116 Ca -0.21 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.71 2hnb n GLN 116 Cb 0.56 -2.32 -0.10 0.00 -4.06 0.00 0.00 30.24 24.32 2hnb n GLN 116 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2hnb s THR 117 N -2.43 0.16 0.00 1.69 2.01 -0.13 -4.75 115.64 112.19 2hnb s THR 117 Ca 0.68 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.80 2hnb s THR 117 Cb -0.25 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2hnb s THR 117 CO 0.57 -0.66 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2hnb n GLY 118 N -0.02 2.97 3.16 4.40 0.00 -1.26 -4.68 105.19 109.75 2hnb n GLY 118 Ca -0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 2hnb n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hnb s GLU 119 N 0.00 0.56 0.62 1.61 -1.05 -1.26 -5.04 118.70 114.13 2hnb s GLU 119 Ca 0.00 -0.34 -0.19 0.00 -0.15 0.00 0.00 54.97 54.29 2hnb s GLU 119 Cb 0.00 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2hnb s GLU 119 CO 0.00 -0.14 1.28 0.99 0.95 0.00 0.00 175.26 178.34 2hnb s THR 120 N -1.42 2.21 0.09 1.83 2.01 -1.26 -4.87 115.64 114.23 2hnb s THR 120 Ca -0.14 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.05 2hnb s THR 120 Cb -0.07 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2hnb s THR 120 CO 0.02 -0.02 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.56 2hnb s LEU 121 N -4.16 2.31 0.14 4.42 2.96 -0.90 -5.04 118.68 118.41 2hnb s LEU 121 Ca 0.80 -0.67 0.11 0.00 -0.22 0.00 0.00 54.13 54.14 2hnb s LEU 121 Cb -0.36 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2hnb s LEU 121 CO 0.39 -0.08 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.53 2hnb s LYS 122 N -2.00 1.42 -0.31 1.98 -0.14 -1.26 -1.43 119.74 118.01 2hnb s LYS 122 Ca 0.02 -1.36 -0.01 0.00 -1.36 0.00 0.00 55.97 53.26 2hnb s LYS 122 Cb -0.09 -1.90 0.10 0.00 -1.68 0.00 0.00 37.83 34.26 2hnb s LYS 122 CO 0.03 0.45 0.09 0.42 -0.76 0.00 0.00 175.35 175.57 2hnb s ILE 123 N -1.12 0.90 -0.06 2.17 -1.09 -0.38 -4.93 121.20 116.70 2hnb s ILE 123 Ca 0.15 -1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 56.88 2hnb s ILE 123 Cb -0.10 -1.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.09 2hnb s ILE 123 CO 0.07 -0.65 1.07 0.21 -1.23 0.00 0.00 174.94 174.40 2hnb s ASN 124 N 1.61 7.20 0.00 3.58 2.47 -1.26 -1.99 114.94 126.56 2hnb s ASN 124 Ca 0.09 1.67 0.00 0.00 0.42 0.00 0.00 52.86 55.04 2hnb s ASN 124 Cb -0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 2hnb s ASN 124 CO -0.24 -0.45 0.93 2.30 -3.72 0.00 0.00 177.10 175.92 2hnb n ILE 125 N 4.41 0.87 -0.36 -5.21 -0.00 -0.40 -3.28 119.36 115.40 2hnb n ILE 125 Ca 0.09 -0.90 0.26 0.00 -0.00 0.00 0.00 62.75 62.20 2hnb n ILE 125 Cb 0.48 0.57 0.51 0.00 -0.00 0.00 0.00 39.64 41.20 2hnb n ILE 125 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2hnb h LEU 126 N 0.00 0.45 -5.06 7.28 5.85 -1.92 -1.04 115.31 120.88 2hnb h LEU 126 Ca 0.00 0.15 -0.32 0.00 0.84 0.00 0.00 57.88 58.55 2hnb h LEU 126 Cb 0.51 0.09 -0.41 0.00 0.37 0.00 0.00 40.66 41.23 2hnb h LEU 126 CO 0.00 -0.07 -1.06 -0.67 -0.34 0.00 0.00 178.44 176.30 2hnb n ASP 127 N -4.85 2.25 -4.01 1.25 2.03 -1.26 -4.93 116.55 107.02 2hnb n ASP 127 Ca 0.31 -2.45 -0.30 0.00 0.52 0.00 0.00 54.79 52.87 2hnb n ASP 127 Cb 1.04 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.97 2hnb n ASP 127 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2hnb n HIS 128 N -0.56 -1.87 0.72 -0.67 8.25 -0.39 -4.87 115.22 115.84 2hnb n HIS 128 Ca 0.15 0.81 0.09 0.00 -0.26 0.00 0.00 57.72 58.51 2hnb n HIS 128 Cb 0.83 -3.61 0.42 0.00 1.12 0.00 0.00 29.99 28.75 2hnb n HIS 128 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2hnb n ASP 129 N -2.85 0.00 -0.31 0.41 2.03 -1.25 -4.37 116.55 110.21 2hnb n ASP 129 Ca -0.09 0.30 0.19 0.00 0.52 0.00 0.00 54.79 55.71 2hnb n ASP 129 Cb 0.58 -0.41 0.46 0.00 -0.72 0.00 0.00 41.12 41.03 2hnb n ASP 129 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2hnb h ILE 130 N 0.00 0.61 0.00 5.18 3.07 -1.88 -1.45 117.51 123.04 2hnb h ILE 130 Ca 0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2hnb h ILE 130 Cb 0.25 0.08 0.00 0.00 -0.27 0.00 0.00 36.82 36.88 2hnb h ILE 130 CO 0.00 0.09 0.00 -0.81 -1.05 0.00 0.00 178.15 176.38 2hnb n PRO 131 N -4.63 0.16 0.21 0.16 -0.04 -1.26 -1.68 135.00 127.92 2hnb n PRO 131 Ca 0.23 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2hnb n PRO 131 Cb 0.75 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 33.17 2hnb n PRO 131 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2hnb h GLU 132 N 0.00 0.00 -0.87 0.54 4.57 -1.61 -3.38 114.58 113.83 2hnb h GLU 132 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2hnb h GLU 132 Cb 0.22 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 28.58 2hnb h GLU 132 CO 0.00 0.30 -0.70 -3.47 -1.18 0.00 0.00 179.01 173.95 2hnb n ASP 133 N -3.78 -1.93 -4.76 1.04 2.03 -0.68 -5.15 116.55 103.32 2hnb n ASP 133 Ca -0.01 -3.02 -0.35 0.00 0.52 0.00 0.00 54.79 51.93 2hnb n ASP 133 Cb 0.39 0.95 0.02 0.00 -0.72 0.00 0.00 41.12 41.76 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 0.14 3.12 0.37 -0.67 0.04 -1.06 -4.93 135.00 132.01 2hnb s PRO 134 Ca 0.33 1.72 0.28 0.00 0.04 0.00 0.00 61.00 63.36 2hnb s PRO 134 Cb 0.17 -1.96 1.14 0.00 0.04 0.00 0.00 34.50 33.89 2hnb s PRO 134 CO -0.18 -1.06 1.82 0.00 0.04 0.00 0.00 177.00 177.62 2hnb h ALA 135 N 0.98 1.00 -0.78 8.56 0.00 -1.98 -3.34 119.26 123.70 2hnb h ALA 135 Ca -0.50 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.48 2hnb h ALA 135 Cb 1.28 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2hnb h ALA 135 CO 0.56 0.00 0.46 0.93 0.00 0.00 0.00 179.25 181.19 2hnb h GLU 136 N 0.00 0.79 -0.40 0.00 5.08 -1.99 0.86 114.58 118.93 2hnb h GLU 136 Ca 0.00 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2hnb h GLU 136 Cb 0.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2hnb h GLU 136 CO 0.00 0.52 -0.34 1.49 -1.00 0.00 0.00 179.01 179.68 2hnb h GLU 137 N 0.81 0.93 -0.12 2.33 4.81 -1.99 -1.71 114.58 119.64 2hnb h GLU 137 Ca 0.36 -0.47 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 2hnb h GLU 137 Cb 0.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2hnb h GLU 137 CO -0.20 1.13 -0.64 2.35 -0.73 0.00 0.00 179.01 180.91 2hnb h TRP 138 N 0.76 0.60 -0.45 0.92 2.91 -1.61 -1.90 115.95 117.17 2hnb h TRP 138 Ca 0.07 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 59.83 2hnb h TRP 138 Cb 0.93 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 2hnb h TRP 138 CO 0.06 0.98 0.19 1.25 -1.03 0.00 0.00 178.44 179.89 2hnb h LEU 139 N 0.34 0.58 -0.55 0.65 5.85 -0.81 -1.68 115.31 119.69 2hnb h LEU 139 Ca -0.01 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.75 2hnb h LEU 139 Cb 1.20 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 2hnb h LEU 139 CO 0.11 0.52 0.11 1.23 -0.34 0.00 0.00 178.44 180.08 2hnb h GLY 140 N 0.79 0.69 1.21 3.75 0.00 -0.51 -0.31 103.07 108.69 2hnb h GLY 140 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2hnb h GLY 140 CO -0.02 -0.10 0.30 1.76 0.00 0.00 0.00 176.54 178.48 2hnb h SER 141 N 0.24 0.92 0.29 0.19 0.02 -0.94 -1.29 113.55 112.98 2hnb h SER 141 Ca 0.29 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2hnb h SER 141 Cb 0.41 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2hnb h SER 141 CO -0.37 0.81 -0.14 -0.50 -1.14 0.00 0.00 176.83 175.48 2hnb h TRP 142 N 1.00 -0.36 -0.10 3.45 6.55 -0.67 -3.04 115.95 122.78 2hnb h TRP 142 Ca 0.24 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 60.04 2hnb h TRP 142 Cb 0.16 0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.57 2hnb h TRP 142 CO 0.01 -0.10 -0.08 -0.39 -1.05 0.00 0.00 178.44 176.83 2hnb h VAL 143 N -0.58 1.12 0.00 1.49 -1.51 -0.91 -0.42 116.25 115.45 2hnb h VAL 143 Ca -0.04 -0.53 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 2hnb h VAL 143 Cb 0.42 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2hnb h VAL 143 CO 0.06 0.16 -0.10 -1.13 -1.23 0.00 0.00 177.57 175.34 2hnb h ASN 144 N 0.15 0.00 0.00 4.19 -0.73 -1.17 -1.91 115.58 116.11 2hnb h ASN 144 Ca 0.03 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.94 2hnb h ASN 144 Cb 0.25 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.79 2hnb h ASN 144 CO 0.01 0.10 -1.99 0.18 -0.37 0.00 0.00 177.43 175.36 2hnb n LEU 145 N -3.99 2.12 0.07 0.34 4.77 -0.55 -4.35 117.00 115.41 2hnb n LEU 145 Ca -0.02 -0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.00 2hnb n LEU 145 Cb 0.19 -0.34 0.44 0.00 -2.33 0.00 0.00 43.42 41.38 2hnb n LEU 145 CO 0.32 0.67 0.84 0.00 -1.33 0.00 0.00 177.39 177.88 2hnb n LEU 146 N -2.87 0.39 0.00 2.23 -0.00 -0.28 -5.01 117.00 111.47 2hnb n LEU 146 Ca -0.29 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 2hnb n LEU 146 Cb 0.87 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2hnb n LEU 146 CO 0.21 -0.32 0.00 1.17 -0.00 0.00 0.00 177.39 178.45