#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duc s LEU 2 N 0.00 -0.27 0.19 -0.89 2.34 -1.26 -4.40 118.68 114.39 1duc s LEU 2 Ca 0.00 -0.27 0.10 0.00 0.06 0.00 0.00 54.13 54.02 1duc s LEU 2 Cb 0.00 2.20 -0.04 0.00 -0.56 0.00 0.00 46.19 47.79 1duc s LEU 2 CO 0.00 -0.86 -0.14 0.00 -1.06 0.00 0.00 176.35 174.30 1duc s ALA 3 N -3.32 2.83 0.15 1.48 0.00 -0.00 -4.98 121.76 117.91 1duc s ALA 3 Ca 0.09 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 1duc s ALA 3 Cb -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1duc s ALA 3 CO -0.02 0.45 0.40 1.52 0.00 0.00 0.00 175.76 178.11 1duc s TYR 4 N -1.72 -0.07 0.06 0.00 -0.85 -1.26 -0.80 117.35 112.71 1duc s TYR 4 Ca 0.24 -0.26 -0.01 0.00 -0.52 0.00 0.00 57.07 56.51 1duc s TYR 4 Cb -0.08 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1duc s TYR 4 CO 0.14 -0.75 -0.01 -0.65 -1.52 0.00 0.00 175.55 172.75 1duc s GLN 5 N -3.85 0.67 0.00 -3.49 -0.21 -0.21 -4.99 119.66 107.58 1duc s GLN 5 Ca 0.07 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.19 1duc s GLN 5 Cb 0.01 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.24 1duc s GLN 5 CO -0.08 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.36 1duc n GLY 6 N 0.07 3.44 0.00 3.09 0.00 -1.26 -1.52 105.19 109.01 1duc n GLY 6 Ca -0.13 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.11 1duc n GLY 6 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1duc n THR 7 N -1.25 0.00 -0.38 2.61 -2.24 -1.26 -4.27 114.28 107.49 1duc n THR 7 Ca 0.00 -0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1duc n THR 7 Cb 0.00 0.87 0.25 0.00 -2.10 0.00 0.00 70.33 69.34 1duc n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1duc n GLN 8 N -1.58 3.29 -4.91 -0.78 6.02 -1.26 -4.79 117.38 113.37 1duc n GLN 8 Ca 0.03 -2.18 -0.26 0.00 -0.01 0.00 0.00 57.00 54.58 1duc n GLN 8 Cb 0.35 -1.99 -0.16 0.00 1.02 0.00 0.00 30.24 29.47 1duc n GLN 8 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1duc s ILE 9 N -2.25 1.50 0.04 5.09 2.07 -1.26 -1.18 121.20 125.21 1duc s ILE 9 Ca 0.39 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 58.88 1duc s ILE 9 Cb 0.30 -1.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 1duc s ILE 9 CO 0.10 0.43 -0.09 -0.75 -1.91 0.00 0.00 174.94 172.72 1duc s LYS 10 N -0.31 2.38 0.56 3.50 2.20 -0.49 -5.00 119.74 122.58 1duc s LYS 10 Ca 0.04 -0.84 -0.21 0.00 -0.36 0.00 0.00 55.97 54.60 1duc s LYS 10 Cb -0.09 -2.41 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 1duc s LYS 10 CO 0.00 0.57 1.25 0.39 -0.36 0.00 0.00 175.35 177.20 1duc n GLU 11 N 1.30 1.44 -4.23 4.03 1.02 -1.26 -4.18 120.64 118.76 1duc n GLU 11 Ca -0.15 0.54 -0.25 0.00 -0.02 0.00 0.00 57.16 57.28 1duc n GLU 11 Cb 0.52 -2.45 -0.08 0.00 -0.02 0.00 0.00 31.44 29.41 1duc n GLU 11 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1duc s LYS 12 N -2.85 2.17 0.45 3.49 -2.85 -1.26 -4.89 119.74 114.00 1duc s LYS 12 Ca 0.73 -1.90 -0.14 0.00 -1.00 0.00 0.00 55.97 53.66 1duc s LYS 12 Cb -0.42 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 33.36 1duc s LYS 12 CO 0.48 -0.10 0.87 1.03 0.10 0.00 0.00 175.35 177.74 1duc s ARG 13 N -3.86 3.89 0.36 1.78 0.52 -1.26 -4.98 118.95 115.39 1duc s ARG 13 Ca 0.40 0.73 0.06 0.00 -0.52 0.00 0.00 55.73 56.40 1duc s ARG 13 Cb 0.05 -2.27 0.67 0.00 0.52 0.00 0.00 34.95 33.93 1duc s ARG 13 CO 0.22 -0.13 1.90 -0.44 0.02 0.00 0.00 175.30 176.86 1duc h ASP 14 N 1.19 0.40 -0.07 0.23 3.32 -2.00 -2.56 116.42 116.93 1duc h ASP 14 Ca -0.47 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1duc h ASP 14 Cb 1.18 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1duc h ASP 14 CO 0.63 0.49 0.00 -1.84 -1.72 0.00 0.00 179.24 176.80 1duc n GLU 15 N -4.29 1.28 -4.02 3.56 0.00 -1.26 -4.79 120.64 111.14 1duc n GLU 15 Ca 0.01 -0.43 -0.31 0.00 0.00 0.00 0.00 57.16 56.43 1duc n GLU 15 Cb 0.24 -1.31 -0.06 0.00 0.00 0.00 0.00 31.44 30.31 1duc n GLU 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1duc s ASP 16 N -1.53 5.80 0.22 -1.84 1.01 -0.97 -5.03 116.67 114.33 1duc s ASP 16 Ca 0.28 0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.74 1duc s ASP 16 Cb 0.14 -1.65 0.13 0.00 1.01 0.00 0.00 42.92 42.55 1duc s ASP 16 CO 0.22 0.19 1.47 0.00 0.21 0.00 0.00 175.17 177.26 1duc h ALA 17 N 3.34 0.70 -2.37 5.23 0.00 -1.86 -3.47 119.26 120.83 1duc h ALA 17 Ca -0.47 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 53.51 1duc h ALA 17 Cb 1.16 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1duc h ALA 17 CO 0.68 0.93 -0.65 0.20 0.00 0.00 0.00 179.25 180.42 1duc s GLY 18 N -4.56 1.24 0.04 0.00 0.00 -1.26 -4.59 107.32 98.20 1duc s GLY 18 Ca 0.00 -1.60 -0.18 0.00 0.00 0.00 0.00 44.72 42.94 1duc s GLY 18 CO 0.78 -1.47 0.51 -1.36 0.00 0.00 0.00 173.10 171.56 1duc s PHE 19 N -3.85 3.76 0.33 1.90 0.40 -0.39 -4.81 117.98 115.32 1duc s PHE 19 Ca 0.27 1.16 -0.27 0.00 -0.60 0.00 0.00 56.93 57.50 1duc s PHE 19 Cb 0.07 -2.44 -0.09 0.00 0.51 0.00 0.00 43.02 41.07 1duc s PHE 19 CO 0.05 0.58 1.06 -0.51 0.70 0.00 0.00 175.22 177.10 1duc s ASP 20 N -0.97 7.11 -0.09 1.36 1.01 -1.26 -0.73 116.67 123.09 1duc s ASP 20 Ca 0.27 2.13 -0.01 0.00 0.71 0.00 0.00 52.55 55.65 1duc s ASP 20 Cb -0.18 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1duc s ASP 20 CO 0.17 -0.25 -0.05 -0.76 0.21 0.00 0.00 175.17 174.49 1duc s LEU 21 N -1.92 3.27 0.04 1.23 1.43 -0.61 -1.39 118.68 120.73 1duc s LEU 21 Ca 0.50 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.68 1duc s LEU 21 Cb -0.27 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1duc s LEU 21 CO 0.34 0.33 -0.25 0.00 0.23 0.00 0.00 176.35 177.00 1duc s VAL 23 N -0.77 2.66 -0.06 0.00 1.01 -0.38 -4.86 120.40 118.00 1duc s VAL 23 Ca 0.11 0.56 0.12 0.00 0.00 0.00 0.00 61.98 62.77 1duc s VAL 23 Cb -0.10 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1duc s VAL 23 CO 0.02 0.09 1.35 1.55 0.00 0.00 0.00 175.10 178.11 1duc h PRO 24 N 4.90 0.00 -2.92 2.72 0.13 -1.92 0.15 132.00 135.06 1duc h PRO 24 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1duc h PRO 24 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1duc h PRO 24 CO 0.77 0.67 0.25 1.52 -0.23 0.00 0.00 178.00 180.97 1duc s TYR 25 N -2.86 -0.40 0.32 1.56 -0.85 -1.26 -4.72 117.35 109.13 1duc s TYR 25 Ca 0.02 0.11 -0.29 0.00 -0.52 0.00 0.00 57.07 56.40 1duc s TYR 25 Cb 0.08 0.61 -0.11 0.00 0.38 0.00 0.00 41.96 42.93 1duc s TYR 25 CO 0.78 -0.95 1.46 -0.51 -1.52 0.00 0.00 175.55 174.81 1duc s ASP 26 N -2.79 6.52 -0.23 -0.18 1.01 -1.26 -4.12 116.67 115.62 1duc s ASP 26 Ca 0.05 2.85 -0.20 0.00 0.71 0.00 0.00 52.55 55.96 1duc s ASP 26 Cb -0.03 -2.65 0.06 0.00 1.01 0.00 0.00 42.92 41.32 1duc s ASP 26 CO -0.06 -0.77 0.60 -0.51 0.21 0.00 0.00 175.17 174.64 1duc s ILE 27 N -0.59 -0.00 -0.13 0.77 2.07 -0.43 -4.94 121.20 117.95 1duc s ILE 27 Ca 0.56 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.75 1duc s ILE 27 Cb -0.44 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1duc s ILE 27 CO 0.52 0.00 0.07 -0.32 -1.91 0.00 0.00 174.94 173.30 1duc s MET 28 N 0.40 3.47 -0.29 3.50 -2.45 -1.26 0.16 119.30 122.83 1duc s MET 28 Ca -0.01 -0.30 0.03 0.00 -1.25 0.00 0.00 55.69 54.16 1duc s MET 28 Cb -0.04 -3.06 0.08 0.00 1.25 0.00 0.00 34.83 33.05 1duc s MET 28 CO -0.00 0.58 -0.02 0.42 1.05 0.00 0.00 175.02 177.05 1duc s ILE 29 N -0.50 1.95 0.67 10.11 1.01 0.38 -4.96 121.20 129.86 1duc s ILE 29 Ca 0.10 -1.79 -0.17 0.00 0.00 0.00 0.00 60.65 58.80 1duc s ILE 29 Cb -0.12 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1duc s ILE 29 CO 0.02 -0.32 1.21 -2.84 0.00 0.00 0.00 174.94 173.02 1duc s PRO 30 N 1.14 2.48 0.10 2.79 0.02 -1.26 -0.84 135.00 139.43 1duc s PRO 30 Ca 0.01 1.80 -0.36 0.00 0.02 0.00 0.00 61.00 62.48 1duc s PRO 30 Cb -0.19 -1.87 -0.17 0.00 0.02 0.00 0.00 34.50 32.29 1duc s PRO 30 CO -0.08 -1.58 1.13 0.28 -0.33 0.00 0.00 177.00 176.41 1duc n VAL 31 N -2.25 0.48 -0.73 3.83 0.31 -1.26 -0.79 118.33 117.91 1duc n VAL 31 Ca 0.14 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1duc n VAL 31 Cb 0.50 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1duc n VAL 31 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1duc n SER 32 N 2.01 -1.14 -4.95 4.52 7.64 -0.62 -4.99 113.62 116.10 1duc n SER 32 Ca 0.18 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.82 1duc n SER 32 Cb 0.18 -1.92 0.04 0.00 -1.01 0.00 0.00 64.21 61.51 1duc n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1duc s ASP 33 N -2.24 5.22 -0.09 6.43 -1.08 0.03 -4.79 116.67 120.15 1duc s ASP 33 Ca 0.00 0.31 0.03 0.00 -0.52 0.00 0.00 52.55 52.37 1duc s ASP 33 Cb 0.00 -1.17 0.01 0.00 -1.46 0.00 0.00 42.92 40.30 1duc s ASP 33 CO 0.00 -1.25 -0.18 -0.89 0.52 0.00 0.00 175.17 173.37 1duc s THR 34 N -2.96 1.61 0.04 1.71 2.01 -1.26 -1.69 115.64 115.10 1duc s THR 34 Ca 0.57 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1duc s THR 34 Cb -0.10 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1duc s THR 34 CO 0.42 0.46 -0.21 -0.54 -0.69 0.00 0.00 174.62 174.06 1duc s LYS 35 N 0.55 1.41 -0.42 4.92 -0.14 0.62 -4.98 119.74 121.70 1duc s LYS 35 Ca -0.16 -0.92 -0.13 0.00 -1.36 0.00 0.00 55.97 53.40 1duc s LYS 35 Cb -0.17 -1.51 0.05 0.00 -1.68 0.00 0.00 37.83 34.53 1duc s LYS 35 CO 0.05 0.39 0.29 0.42 -0.76 0.00 0.00 175.35 175.74 1duc s ILE 36 N -0.78 4.82 -0.24 2.17 1.01 -1.26 -0.67 121.20 126.25 1duc s ILE 36 Ca 0.07 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1duc s ILE 36 Cb -0.09 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1duc s ILE 36 CO 0.02 -0.40 0.35 -0.63 0.00 0.00 0.00 174.94 174.27 1duc s ILE 37 N 1.57 5.21 0.32 2.92 1.01 0.51 -4.91 121.20 127.84 1duc s ILE 37 Ca 0.03 0.56 -0.27 0.00 0.00 0.00 0.00 60.65 60.98 1duc s ILE 37 Cb -0.21 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 1duc s ILE 37 CO 0.06 0.22 0.97 -2.16 0.00 0.00 0.00 174.94 174.03 1duc s PRO 38 N 1.61 4.58 0.40 2.79 0.04 -1.26 -0.36 135.00 142.80 1duc s PRO 38 Ca 0.15 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.66 1duc s PRO 38 Cb -0.15 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.46 1duc s PRO 38 CO 0.08 0.26 0.02 0.95 0.04 0.00 0.00 177.00 178.36 1duc s THR 39 N -1.53 1.72 -0.24 1.26 -4.23 -1.04 -4.64 115.64 106.94 1duc s THR 39 Ca 0.49 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1duc s THR 39 Cb -0.21 -2.86 0.72 0.00 1.34 0.00 0.00 72.50 71.49 1duc s THR 39 CO 0.26 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 175.11 1duc n ASP 40 N -0.95 5.02 -4.75 3.99 5.75 -1.26 -4.42 116.55 119.93 1duc n ASP 40 Ca -0.06 -3.03 -0.39 0.00 -0.01 0.00 0.00 54.79 51.31 1duc n ASP 40 Cb 0.67 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 1duc n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1duc s VAL 41 N -2.84 4.99 0.01 2.12 1.01 -1.26 -4.15 120.40 120.27 1duc s VAL 41 Ca 0.51 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.71 1duc s VAL 41 Cb 0.40 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1duc s VAL 41 CO 0.13 0.39 -0.12 -0.54 0.00 0.00 0.00 175.10 174.97 1duc s LYS 42 N 0.01 0.90 0.11 2.72 1.02 -0.58 -1.02 119.74 122.91 1duc s LYS 42 Ca 0.30 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.80 1duc s LYS 42 Cb -0.17 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1duc s LYS 42 CO 0.16 0.23 -0.11 0.96 -0.92 0.00 0.00 175.35 175.67 1duc s ILE 43 N -0.50 1.03 -0.11 2.17 -4.36 -1.26 -1.04 121.20 117.13 1duc s ILE 43 Ca 0.03 -1.71 -0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1duc s ILE 43 Cb -0.06 -1.46 0.02 0.00 1.25 0.00 0.00 42.46 42.22 1duc s ILE 43 CO 0.00 -0.56 -0.08 -1.10 0.24 0.00 0.00 174.94 173.44 1duc s GLN 44 N -2.91 1.57 0.31 0.37 -0.21 0.02 -4.93 119.66 113.89 1duc s GLN 44 Ca 0.08 -0.28 0.09 0.00 0.02 0.00 0.00 55.36 55.27 1duc s GLN 44 Cb -0.02 -1.61 -0.05 0.00 1.00 0.00 0.00 33.01 32.33 1duc s GLN 44 CO 0.01 -0.25 0.01 0.14 -2.12 0.00 0.00 175.29 173.08 1duc s VAL 45 N 1.65 2.97 0.86 1.09 -7.23 -1.26 -0.82 120.40 117.66 1duc s VAL 45 Ca 0.04 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 1duc s VAL 45 Cb -0.13 -2.80 0.11 0.00 0.56 0.00 0.00 36.38 34.12 1duc s VAL 45 CO -0.08 -0.27 1.11 -2.84 -0.31 0.00 0.00 175.10 172.70 1duc s PRO 46 N -3.71 1.54 0.51 4.82 0.02 -1.26 -4.90 135.00 132.02 1duc s PRO 46 Ca 0.34 0.58 -0.23 0.00 0.02 0.00 0.00 61.00 61.70 1duc s PRO 46 Cb -0.03 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 1duc s PRO 46 CO 0.20 -1.98 1.37 -2.30 -0.33 0.00 0.00 177.00 173.95 1duc n PRO 47 N -3.67 1.88 -1.92 5.54 -0.02 -1.26 -2.11 135.00 133.45 1duc n PRO 47 Ca 0.07 0.68 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 1duc n PRO 47 Cb 0.57 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1duc n PRO 47 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1duc n ASN 48 N -0.63 -5.12 -4.65 2.55 3.02 -1.26 -5.00 115.26 104.16 1duc n ASN 48 Ca 0.08 0.21 -0.26 0.00 -0.03 0.00 0.00 54.58 54.59 1duc n ASN 48 Cb 0.43 -4.19 -0.09 0.00 -0.61 0.00 0.00 39.78 35.33 1duc n ASN 48 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1duc s SER 49 N -2.52 4.13 0.12 6.41 0.01 -0.90 -1.00 113.70 119.96 1duc s SER 49 Ca 0.00 -1.16 -0.16 0.00 1.31 0.00 0.00 55.95 55.94 1duc s SER 49 Cb 0.00 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.81 1duc s SER 49 CO 0.00 -0.40 0.41 0.72 0.41 0.00 0.00 173.24 174.38 1duc s PHE 50 N -2.61 -0.22 0.02 2.43 -0.71 -0.23 -3.98 117.98 112.66 1duc s PHE 50 Ca 0.37 -0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 56.16 1duc s PHE 50 Cb 0.05 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 1duc s PHE 50 CO 0.20 -0.70 0.20 0.20 -1.34 0.00 0.00 175.22 173.78 1duc s GLY 51 N -2.76 2.19 -0.18 1.99 0.00 -0.52 -1.44 107.32 106.60 1duc s GLY 51 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1duc s GLY 51 CO -0.12 -0.66 -0.07 0.86 0.00 0.00 0.00 173.10 173.11 1duc s TRP 52 N -1.38 1.98 -0.25 1.90 -0.00 0.10 -0.20 118.94 121.08 1duc s TRP 52 Ca 0.30 -1.29 -0.16 0.00 -0.00 0.00 0.00 56.10 54.95 1duc s TRP 52 Cb -0.13 -1.44 -0.04 0.00 -0.00 0.00 0.00 33.47 31.87 1duc s TRP 52 CO 0.21 -0.67 0.41 0.08 -0.00 0.00 0.00 176.95 176.98 1duc s VAL 53 N 1.54 5.16 0.17 5.86 1.01 0.29 -0.15 120.40 134.29 1duc s VAL 53 Ca -0.00 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1duc s VAL 53 Cb -0.16 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1duc s VAL 53 CO -0.08 0.16 0.21 1.07 0.00 0.00 0.00 175.10 176.47 1duc n THR 54 N 4.97 0.00 -2.69 3.92 5.66 -0.22 -4.47 114.28 121.45 1duc n THR 54 Ca -0.07 -1.00 -0.26 0.00 -3.05 0.00 0.00 64.05 59.66 1duc n THR 54 Cb 0.51 0.57 0.01 0.00 -1.55 0.00 0.00 70.33 69.86 1duc n THR 54 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1duc s GLY 55 N -2.12 1.51 0.20 1.09 0.00 -1.26 -1.25 107.32 105.49 1duc s GLY 55 Ca 0.16 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1duc s GLY 55 CO 0.12 -0.46 0.36 0.54 0.00 0.00 0.00 173.10 173.66 1duc s LYS 56 N -4.73 3.49 0.16 2.90 -0.14 -1.26 -4.67 119.74 115.47 1duc s LYS 56 Ca 0.48 -0.45 -0.09 0.00 -1.36 0.00 0.00 55.97 54.55 1duc s LYS 56 Cb -0.10 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 1duc s LYS 56 CO 0.43 0.43 1.50 1.03 -0.76 0.00 0.00 175.35 177.98 1duc h SER 57 N 1.91 0.94 -0.03 2.83 0.87 -1.98 -0.84 113.55 117.24 1duc h SER 57 Ca -0.49 -0.43 -0.09 0.00 -1.23 0.00 0.00 61.79 59.56 1duc h SER 57 Cb 1.20 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1duc h SER 57 CO 0.67 1.21 -0.23 0.77 -0.53 0.00 0.00 176.83 178.72 1duc h SER 58 N 0.72 0.42 0.62 6.23 4.64 -2.00 -1.48 113.55 122.70 1duc h SER 58 Ca 0.06 -0.13 -0.27 0.00 -0.47 0.00 0.00 61.79 60.97 1duc h SER 58 Cb 0.97 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 1duc h SER 58 CO 0.09 0.66 -1.50 0.24 -0.87 0.00 0.00 176.83 175.45 1duc h MET 59 N 0.38 0.03 -0.67 4.77 2.86 -1.91 -3.34 114.93 117.05 1duc h MET 59 Ca 0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1duc h MET 59 Cb 0.62 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1duc h MET 59 CO 0.04 0.72 0.33 0.00 1.06 0.00 0.00 176.91 179.06 1duc h ALA 60 N 0.92 1.32 0.00 6.32 0.00 -1.00 -0.91 119.26 125.92 1duc h ALA 60 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1duc h ALA 60 Cb 1.95 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1duc h ALA 60 CO 0.10 0.53 0.00 0.87 0.00 0.00 0.00 179.25 180.75 1duc h LYS 61 N 0.94 0.00 -0.23 0.00 1.57 -1.39 -0.56 116.57 116.91 1duc h LYS 61 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1duc h LYS 61 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1duc h LYS 61 CO -0.03 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.89 1duc n GLN 62 N -2.85 2.08 -0.26 3.15 6.02 -0.40 -4.94 117.38 120.18 1duc n GLN 62 Ca -0.00 -1.62 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1duc n GLN 62 Cb 0.21 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1duc n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1duc n GLY 63 N 1.30 0.85 3.71 1.08 0.00 -0.22 -4.60 105.19 107.30 1duc n GLY 63 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1duc n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1duc s LEU 64 N 0.00 4.33 -0.13 0.99 2.96 -0.90 -0.55 118.68 125.38 1duc s LEU 64 Ca 0.00 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1duc s LEU 64 Cb 0.00 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 1duc s LEU 64 CO 0.00 -0.22 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.45 1duc s LEU 65 N 1.03 2.61 -0.22 -0.68 2.96 0.51 -4.15 118.68 120.74 1duc s LEU 65 Ca 0.45 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 1duc s LEU 65 Cb -0.19 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1duc s LEU 65 CO 0.22 0.15 0.52 -0.63 -1.32 0.00 0.00 176.35 175.29 1duc s ILE 66 N 0.45 5.09 0.25 6.68 -1.09 -1.26 -1.21 121.20 130.11 1duc s ILE 66 Ca -0.10 0.93 0.11 0.00 -2.23 0.00 0.00 60.65 59.35 1duc s ILE 66 Cb -0.16 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1duc s ILE 66 CO 0.05 0.14 -0.16 0.21 -1.23 0.00 0.00 174.94 173.95 1duc s ASN 67 N 1.30 3.83 0.91 3.58 3.84 -0.56 -4.86 114.94 122.98 1duc s ASN 67 Ca 0.23 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.43 1duc s ASN 67 Cb -0.15 -0.45 0.00 0.00 -0.55 0.00 0.00 41.25 40.10 1duc s ASN 67 CO 0.09 0.06 0.00 0.61 -2.79 0.00 0.00 177.10 175.07 1duc n GLY 68 N -0.41 1.94 1.60 1.21 0.00 -1.26 -4.25 105.19 104.00 1duc n GLY 68 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1duc n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1duc n GLY 69 N 0.00 0.71 3.55 -0.02 0.00 -1.26 -4.90 105.19 103.26 1duc n GLY 69 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1duc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1duc s ILE 70 N -2.40 5.28 -0.43 -0.61 -1.09 -1.26 -0.55 121.20 120.15 1duc s ILE 70 Ca 0.00 -0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 1duc s ILE 70 Cb 0.00 -3.68 0.07 0.00 -1.58 0.00 0.00 42.46 37.27 1duc s ILE 70 CO 0.00 0.04 0.29 -0.63 -1.23 0.00 0.00 174.94 173.42 1duc s ILE 71 N 1.76 4.62 0.63 2.92 -1.09 0.72 -4.99 121.20 125.77 1duc s ILE 71 Ca 0.07 -1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 57.14 1duc s ILE 71 Cb -0.17 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1duc s ILE 71 CO 0.11 -0.48 1.08 -1.81 -1.23 0.00 0.00 174.94 172.60 1duc s ASP 72 N 2.17 5.45 0.30 3.58 1.01 -1.26 -1.43 116.67 126.49 1duc s ASP 72 Ca 0.03 1.88 0.01 0.00 0.71 0.00 0.00 52.55 55.18 1duc s ASP 72 Cb -0.23 -2.54 0.55 0.00 1.01 0.00 0.00 42.92 41.71 1duc s ASP 72 CO 0.04 -1.40 1.90 -0.08 0.21 0.00 0.00 175.17 175.85 1duc h GLU 73 N 0.16 0.98 0.00 8.23 4.81 -1.94 -0.71 114.58 126.10 1duc h GLU 73 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1duc h GLU 73 Cb 1.23 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1duc h GLU 73 CO 0.56 0.65 0.00 0.41 -0.73 0.00 0.00 179.01 179.90 1duc n GLY 74 N -1.39 -0.83 3.72 1.92 0.00 -1.26 -4.75 105.19 102.59 1duc n GLY 74 Ca 0.14 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1duc n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1duc s TYR 75 N -2.14 3.63 -0.45 1.61 5.04 -0.28 -4.90 117.35 119.86 1duc s TYR 75 Ca 0.33 1.62 0.06 0.00 -2.44 0.00 0.00 57.07 56.63 1duc s TYR 75 Cb 0.16 -3.20 0.16 0.00 0.35 0.00 0.00 41.96 39.44 1duc s TYR 75 CO 0.30 -0.33 1.13 0.25 -1.34 0.00 0.00 175.55 175.56 1duc n THR 76 N 3.49 1.03 -0.80 4.34 -2.24 -1.26 -4.86 114.28 113.97 1duc n THR 76 Ca 0.06 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1duc n THR 76 Cb 0.49 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1duc n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1duc n GLY 77 N -0.02 -0.19 3.79 3.38 0.00 -1.26 -4.97 105.19 105.92 1duc n GLY 77 Ca 0.06 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 1duc n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1duc s GLU 78 N -0.37 4.10 0.25 1.61 2.02 -1.26 -4.59 118.70 120.46 1duc s GLU 78 Ca 0.00 0.45 -0.30 0.00 0.02 0.00 0.00 54.97 55.14 1duc s GLU 78 Cb 0.00 -3.30 -0.10 0.00 0.10 0.00 0.00 34.13 30.83 1duc s GLU 78 CO 0.00 0.50 1.45 0.42 0.02 0.00 0.00 175.26 177.66 1duc s ILE 79 N -0.50 2.61 -0.04 -1.63 1.01 -0.18 -4.91 121.20 117.56 1duc s ILE 79 Ca 0.25 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.42 1duc s ILE 79 Cb -0.16 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1duc s ILE 79 CO 0.13 0.08 -0.03 -1.10 0.00 0.00 0.00 174.94 174.02 1duc s GLN 80 N -0.35 2.79 -0.21 2.79 -0.21 -1.26 -2.49 119.66 120.72 1duc s GLN 80 Ca 0.60 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 55.37 1duc s GLN 80 Cb -0.42 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 30.91 1duc s GLN 80 CO 0.43 0.65 -0.02 0.08 -2.12 0.00 0.00 175.29 174.32 1duc s VAL 81 N -0.96 3.72 -0.35 1.09 1.01 0.51 -4.92 120.40 120.51 1duc s VAL 81 Ca 0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1duc s VAL 81 Cb -0.11 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1duc s VAL 81 CO 0.06 0.42 0.43 -0.63 0.00 0.00 0.00 175.10 175.38 1duc s ILE 82 N 1.23 5.10 -0.07 2.22 1.01 -1.26 -0.36 121.20 129.06 1duc s ILE 82 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.91 1duc s ILE 82 Cb -0.15 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1duc s ILE 82 CO 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 174.94 174.58 1duc s THR 84 N -0.11 1.42 -0.31 0.00 2.01 -0.35 -0.28 115.64 118.02 1duc s THR 84 Ca -0.04 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 1duc s THR 84 Cb -0.14 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1duc s THR 84 CO 0.04 0.40 0.52 0.21 -0.69 0.00 0.00 174.62 175.11 1duc s ASN 85 N -0.32 6.37 -0.05 3.53 3.84 -0.68 -0.36 114.94 127.27 1duc s ASN 85 Ca 0.05 0.22 0.12 0.00 0.21 0.00 0.00 52.86 53.45 1duc s ASN 85 Cb -0.08 -2.28 0.36 0.00 -0.55 0.00 0.00 41.25 38.70 1duc s ASN 85 CO -0.00 -0.41 1.29 2.30 -2.79 0.00 0.00 177.10 177.49 1duc n ILE 86 N 5.34 1.38 -1.48 -5.21 -5.35 0.29 -1.59 119.36 112.73 1duc n ILE 86 Ca -0.04 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.18 1duc n ILE 86 Cb 0.49 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1duc n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1duc n GLY 87 N 0.17 0.20 0.32 3.28 0.00 -1.19 -4.95 105.19 103.02 1duc n GLY 87 Ca 0.14 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.36 1duc n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1duc n LYS 88 N -0.66 0.26 -4.22 1.61 5.02 -1.26 -4.63 118.16 114.28 1duc n LYS 88 Ca 0.00 -1.02 -0.19 0.00 -2.02 0.00 0.00 58.31 55.08 1duc n LYS 88 Cb 0.00 -1.15 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 1duc n LYS 88 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1duc s SER 89 N -0.67 1.93 0.40 4.39 0.15 -1.26 -4.97 113.70 113.66 1duc s SER 89 Ca 0.10 -0.70 -0.27 0.00 0.70 0.00 0.00 55.95 55.77 1duc s SER 89 Cb 0.07 -0.07 -0.10 0.00 -1.71 0.00 0.00 66.02 64.20 1duc s SER 89 CO 0.10 -0.08 1.48 0.20 1.20 0.00 0.00 173.24 176.13 1duc s ASN 90 N -2.04 6.21 -0.10 5.45 0.01 -1.26 -4.42 114.94 118.79 1duc s ASN 90 Ca 0.03 3.03 0.01 0.00 -0.71 0.00 0.00 52.86 55.22 1duc s ASN 90 Cb -0.08 -2.67 -0.02 0.00 0.41 0.00 0.00 41.25 38.89 1duc s ASN 90 CO 0.03 -0.96 -0.10 -0.63 -1.51 0.00 0.00 177.10 173.92 1duc s ILE 91 N -1.14 3.35 -0.21 0.60 1.01 -0.02 -4.94 121.20 119.85 1duc s ILE 91 Ca 0.55 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1duc s ILE 91 Cb -0.46 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1duc s ILE 91 CO 0.62 0.56 -0.06 -0.75 0.00 0.00 0.00 174.94 175.31 1duc s LYS 92 N -0.25 3.37 -0.06 2.79 2.47 -1.26 0.14 119.74 126.94 1duc s LYS 92 Ca 0.02 -0.64 -0.04 0.00 -1.56 0.00 0.00 55.97 53.75 1duc s LYS 92 Cb -0.13 -2.95 -0.04 0.00 -1.46 0.00 0.00 37.83 33.25 1duc s LYS 92 CO 0.03 -0.15 0.16 -0.51 0.16 0.00 0.00 175.35 175.04 1duc s LEU 93 N 1.33 4.36 -0.10 5.43 1.43 0.12 -4.97 118.68 126.29 1duc s LEU 93 Ca 0.04 0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1duc s LEU 93 Cb -0.14 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1duc s LEU 93 CO -0.03 0.32 -0.01 -0.63 0.23 0.00 0.00 176.35 176.23 1duc s ILE 94 N -1.20 4.18 -0.06 -0.59 -1.09 -1.26 -1.32 121.20 119.87 1duc s ILE 94 Ca 0.22 -0.28 -0.36 0.00 -2.23 0.00 0.00 60.65 58.00 1duc s ILE 94 Cb -0.12 -2.78 -0.18 0.00 -1.58 0.00 0.00 42.46 37.80 1duc s ILE 94 CO 0.12 0.57 1.00 1.21 -1.23 0.00 0.00 174.94 176.61 1duc n GLU 95 N 2.54 0.00 0.00 2.79 2.13 -1.26 -1.56 120.64 125.27 1duc n GLU 95 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1duc n GLU 95 Cb 0.53 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1duc n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1duc n GLY 96 N 1.60 2.78 3.75 8.31 0.00 0.53 -4.98 105.19 117.19 1duc n GLY 96 Ca 0.19 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1duc n GLY 96 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1duc s GLN 97 N 0.00 2.56 0.39 1.61 -2.07 -0.60 -4.37 119.66 117.18 1duc s GLN 97 Ca 0.00 1.51 -0.27 0.00 -1.82 0.00 0.00 55.36 54.78 1duc s GLN 97 Cb 0.00 -1.91 -0.09 0.00 -1.09 0.00 0.00 33.01 29.92 1duc s GLN 97 CO 0.00 -1.46 1.33 -1.59 -1.32 0.00 0.00 175.29 172.25 1duc s LYS 98 N -4.05 4.05 0.00 9.60 -2.85 -1.26 -1.25 119.74 123.98 1duc s LYS 98 Ca 0.69 2.23 0.00 0.00 -1.00 0.00 0.00 55.97 57.89 1duc s LYS 98 Cb -0.23 -2.84 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 1duc s LYS 98 CO 0.43 -0.45 0.28 1.97 0.10 0.00 0.00 175.35 177.68 1duc n PHE 99 N 0.29 0.00 -3.65 1.78 -1.74 -0.58 -4.87 117.46 108.69 1duc n PHE 99 Ca 0.03 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.93 1duc n PHE 99 Cb 0.43 0.05 -0.00 0.00 1.52 0.00 0.00 39.48 41.48 1duc n PHE 99 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1duc s ALA 100 N 0.00 -2.25 0.03 1.98 0.00 -1.25 -4.61 121.76 115.66 1duc s ALA 100 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1duc s ALA 100 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1duc s ALA 100 CO 0.00 -1.06 -0.02 1.14 0.00 0.00 0.00 175.76 175.81 1duc s GLN 101 N -2.39 0.45 -0.18 0.00 -2.07 -0.38 -1.57 119.66 113.53 1duc s GLN 101 Ca 0.15 -0.88 -0.01 0.00 -1.82 0.00 0.00 55.36 52.80 1duc s GLN 101 Cb 0.04 0.16 -0.00 0.00 -1.09 0.00 0.00 33.01 32.12 1duc s GLN 101 CO -0.04 -0.08 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.56 1duc s LEU 102 N -2.12 2.59 0.00 2.60 2.96 0.09 -1.06 118.68 123.74 1duc s LEU 102 Ca -0.06 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1duc s LEU 102 Cb -0.02 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1duc s LEU 102 CO -0.05 0.05 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.18 1duc s ILE 103 N 1.03 2.46 -0.20 6.68 1.01 0.79 -1.26 121.20 131.71 1duc s ILE 103 Ca -0.01 -1.12 -0.08 0.00 0.00 0.00 0.00 60.65 59.45 1duc s ILE 103 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1duc s ILE 103 CO -0.02 0.47 0.07 -0.63 0.00 0.00 0.00 174.94 174.83 1duc s ILE 104 N -0.76 4.71 0.30 2.92 -1.09 -1.26 0.01 121.20 126.03 1duc s ILE 104 Ca 0.12 -0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.55 1duc s ILE 104 Cb -0.10 -3.15 -0.06 0.00 -1.58 0.00 0.00 42.46 37.57 1duc s ILE 104 CO 0.02 0.42 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.35 1duc s LEU 105 N 0.75 2.47 -0.07 2.97 1.43 -0.52 -4.98 118.68 120.72 1duc s LEU 105 Ca 0.04 -1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 51.89 1duc s LEU 105 Cb -0.13 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1duc s LEU 105 CO 0.02 -0.39 0.01 -1.10 0.23 0.00 0.00 176.35 175.12 1duc s GLN 106 N -3.75 2.97 0.32 1.70 -0.21 -1.26 -1.07 119.66 118.36 1duc s GLN 106 Ca 0.31 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.35 1duc s GLN 106 Cb 0.05 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 1duc s GLN 106 CO 0.13 0.69 0.08 -3.38 -2.12 0.00 0.00 175.29 170.69 1duc s HIS 107 N -0.93 2.67 -0.32 0.91 -3.43 -0.17 -4.95 115.29 109.07 1duc s HIS 107 Ca 0.15 -0.36 0.07 0.00 -0.80 0.00 0.00 55.06 54.12 1duc s HIS 107 Cb -0.11 -1.50 0.46 0.00 -1.43 0.00 0.00 32.58 29.99 1duc s HIS 107 CO 0.04 0.44 1.29 0.72 -2.00 0.00 0.00 174.74 175.22 1duc n HIS 108 N -1.05 2.42 -1.11 0.38 -0.00 -1.26 -4.80 115.22 109.79 1duc n HIS 108 Ca -0.04 -2.19 -0.24 0.00 -0.00 0.00 0.00 57.72 55.25 1duc n HIS 108 Cb 0.61 -0.44 0.04 0.00 -0.00 0.00 0.00 29.99 30.20 1duc n HIS 108 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1duc n SER 109 N -0.80 6.87 -3.34 0.41 7.64 -1.26 -4.60 113.62 118.54 1duc n SER 109 Ca 0.43 -3.31 -0.13 0.00 1.01 0.00 0.00 58.87 56.86 1duc n SER 109 Cb 0.91 -1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 62.99 1duc n SER 109 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1duc s ASN 110 N -0.42 0.80 0.00 6.43 0.01 -1.26 -5.06 114.94 115.44 1duc s ASN 110 Ca 0.44 -1.13 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1duc s ASN 110 Cb 0.34 0.81 0.00 0.00 0.41 0.00 0.00 41.25 42.81 1duc s ASN 110 CO -0.04 -0.29 0.00 -1.20 -1.51 0.00 0.00 177.10 174.06 1duc n SER 111 N 4.65 0.00 -4.78 -1.22 7.64 -1.26 -5.15 113.62 113.50 1duc n SER 111 Ca 0.07 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 1duc n SER 111 Cb 0.47 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 1duc n SER 111 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1duc s ARG 112 N 0.00 4.57 0.34 1.43 3.52 -1.26 -5.00 118.95 122.56 1duc s ARG 112 Ca 0.00 1.20 0.08 0.00 -0.13 0.00 0.00 55.73 56.88 1duc s ARG 112 Cb 0.00 -3.14 -0.07 0.00 -1.56 0.00 0.00 34.95 30.18 1duc s ARG 112 CO 0.00 0.50 -0.07 -0.65 -0.81 0.00 0.00 175.30 174.27 1duc s GLN 113 N -1.41 1.79 0.35 5.12 -1.52 -1.26 -5.11 119.66 117.62 1duc s GLN 113 Ca 0.40 -1.94 -0.28 0.00 -1.95 0.00 0.00 55.36 51.59 1duc s GLN 113 Cb -0.22 -1.58 -0.10 0.00 -0.22 0.00 0.00 33.01 30.90 1duc s GLN 113 CO 0.26 0.09 1.28 -1.25 -0.25 0.00 0.00 175.29 175.41 1duc s PRO 114 N -3.65 4.27 0.24 2.91 0.04 -1.26 -4.99 135.00 132.56 1duc s PRO 114 Ca 0.32 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 1duc s PRO 114 Cb 0.04 -2.98 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 1duc s PRO 114 CO 0.16 -0.23 1.48 -0.46 0.04 0.00 0.00 177.00 177.99 1duc s TRP 115 N -1.19 2.99 -0.39 0.56 -0.11 -1.26 -4.99 118.94 114.55 1duc s TRP 115 Ca 0.51 0.92 -0.18 0.00 1.22 0.00 0.00 56.10 58.57 1duc s TRP 115 Cb -0.38 -3.87 0.01 0.00 -1.50 0.00 0.00 33.47 27.72 1duc s TRP 115 CO 0.50 -2.93 0.48 0.34 -4.62 0.00 0.00 176.95 170.72 1duc s ASP 116 N 0.52 6.25 0.25 5.86 -1.08 -1.26 -4.92 116.67 122.29 1duc s ASP 116 Ca 0.62 -0.33 0.23 0.00 -0.52 0.00 0.00 52.55 52.54 1duc s ASP 116 Cb -0.43 -2.25 0.97 0.00 -1.46 0.00 0.00 42.92 39.75 1duc s ASP 116 CO 0.42 -0.54 1.69 -0.62 0.52 0.00 0.00 175.17 176.64 1duc n GLU 117 N 5.72 0.18 0.00 4.34 -0.58 -1.26 -5.33 120.64 123.71 1duc n GLU 117 Ca -0.06 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1duc n GLU 117 Cb 0.48 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1duc n GLU 117 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74