#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf s SER 2 N 0.00 -0.35 0.20 1.61 0.15 -1.26 -5.19 113.70 108.86 2daf s SER 2 Ca 0.00 0.43 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 2daf s SER 2 Cb 0.00 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2daf s SER 2 CO 0.00 -0.29 0.51 -0.44 1.20 0.00 0.00 173.24 174.22 2daf s SER 3 N -0.92 -0.23 -0.03 5.45 0.01 -1.26 -5.19 113.70 111.53 2daf s SER 3 Ca -0.00 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2daf s SER 3 Cb -0.01 0.57 0.11 0.00 0.21 0.00 0.00 66.02 66.90 2daf s SER 3 CO -0.00 -1.05 1.05 -0.83 0.41 0.00 0.00 173.24 172.82 2daf s GLY 4 N -2.89 -0.37 -0.30 3.44 0.00 -1.26 -5.16 107.32 100.79 2daf s GLY 4 Ca 0.10 0.98 -0.08 0.00 0.00 0.00 0.00 44.72 45.73 2daf s GLY 4 CO -0.02 0.30 0.77 -1.35 0.00 0.00 0.00 173.10 172.80 2daf s SER 5 N -2.55 -1.01 -0.12 1.64 1.04 -1.26 -5.16 113.70 106.28 2daf s SER 5 Ca 0.09 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.28 2daf s SER 5 Cb -0.00 1.94 0.03 0.00 0.10 0.00 0.00 66.02 68.09 2daf s SER 5 CO -0.05 -0.19 0.32 -0.44 0.98 0.00 0.00 173.24 173.86 2daf s SER 6 N 2.82 -0.33 0.00 7.02 0.01 -1.26 -5.11 113.70 116.85 2daf s SER 6 Ca 0.07 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2daf s SER 6 Cb -0.12 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2daf s SER 6 CO -0.18 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2daf n GLY 7 N 3.00 -0.60 3.55 3.44 0.00 -1.26 -5.04 105.19 108.28 2daf n GLY 7 Ca -0.14 0.65 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 2daf n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2daf s GLN 8 N 0.00 2.94 -0.08 1.61 -1.52 -1.26 -4.84 119.66 116.51 2daf s GLN 8 Ca 0.00 -0.05 -0.04 0.00 -1.95 0.00 0.00 55.36 53.32 2daf s GLN 8 Cb 0.00 -4.54 -0.02 0.00 -0.22 0.00 0.00 33.01 28.23 2daf s GLN 8 CO 0.00 -2.55 0.15 0.93 -0.25 0.00 0.00 175.29 173.57 2daf h GLU 9 N 12.02 -0.13 -3.60 2.91 4.39 -2.02 -3.48 114.58 124.67 2daf h GLU 9 Ca -0.15 0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.23 2daf h GLU 9 Cb 1.08 0.03 0.05 0.00 -0.10 0.00 0.00 28.75 29.81 2daf h GLU 9 CO 1.27 -0.09 -0.48 0.45 -1.16 0.00 0.00 179.01 179.00 2daf n SER 10 N -4.86 -5.20 -0.04 1.42 2.88 -1.26 -4.94 113.62 101.61 2daf n SER 10 Ca -0.02 -0.22 -0.03 0.00 -1.33 0.00 0.00 58.87 57.27 2daf n SER 10 Cb 0.05 -4.06 -0.01 0.00 -0.75 0.00 0.00 64.21 59.44 2daf n SER 10 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2daf n VAL 11 N -4.25 0.78 -2.74 2.46 0.31 -1.26 -5.03 118.33 108.59 2daf n VAL 11 Ca -0.09 0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 2daf n VAL 11 Cb 0.60 -1.98 0.04 0.00 -0.91 0.00 0.00 33.84 31.60 2daf n VAL 11 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2daf n GLU 12 N -3.54 -3.38 -3.70 5.55 2.13 -1.26 -5.04 120.64 111.39 2daf n GLU 12 Ca -0.05 0.43 -0.24 0.00 0.66 0.00 0.00 57.16 57.95 2daf n GLU 12 Cb 0.19 -4.19 -0.17 0.00 0.27 0.00 0.00 31.44 27.53 2daf n GLU 12 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2daf s ASP 13 N -3.64 2.05 -1.19 4.31 1.01 -1.26 -4.86 116.67 113.09 2daf s ASP 13 Ca 0.02 -0.39 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 2daf s ASP 13 Cb -0.01 -0.37 -0.01 0.00 1.01 0.00 0.00 42.92 43.54 2daf s ASP 13 CO 0.37 -0.28 0.98 -1.20 0.21 0.00 0.00 175.17 175.25 2daf n SER 14 N 5.18 -2.44 -4.75 0.27 7.64 -1.26 -4.91 113.62 113.35 2daf n SER 14 Ca -0.07 -0.64 -0.38 0.00 1.01 0.00 0.00 58.87 58.79 2daf n SER 14 Cb 0.49 -5.07 -0.06 0.00 -1.01 0.00 0.00 64.21 58.56 2daf n SER 14 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2daf s LEU 15 N -6.28 4.32 -0.10 -3.43 1.43 -1.26 -3.46 118.68 109.90 2daf s LEU 15 Ca 0.05 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 2daf s LEU 15 Cb -0.01 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2daf s LEU 15 CO 0.74 0.08 -0.24 0.00 0.23 0.00 0.00 176.35 177.16 2daf s ALA 16 N 0.21 2.13 -0.42 4.21 0.00 -0.86 0.16 121.76 127.19 2daf s ALA 16 Ca 0.25 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 2daf s ALA 16 Cb -0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2daf s ALA 16 CO 0.11 0.28 1.83 0.99 0.00 0.00 0.00 175.76 178.97 2daf s THR 17 N 0.35 3.43 -0.36 0.00 2.01 0.11 -3.15 115.64 118.03 2daf s THR 17 Ca -0.19 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 2daf s THR 17 Cb -0.18 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.66 2daf s THR 17 CO 0.09 -0.55 0.15 -0.69 -0.69 0.00 0.00 174.62 172.93 2daf s VAL 18 N 7.72 3.95 0.01 3.82 1.01 -1.24 -2.42 120.40 133.24 2daf s VAL 18 Ca 0.76 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2daf s VAL 18 Cb -0.19 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2daf s VAL 18 CO 0.29 -0.28 0.98 -0.54 0.00 0.00 0.00 175.10 175.55 2daf s LYS 19 N 1.41 4.57 -0.06 2.72 1.02 -1.14 -3.45 119.74 124.81 2daf s LYS 19 Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 55.97 57.40 2daf s LYS 19 Cb -0.20 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2daf s LYS 19 CO 0.03 -0.03 0.01 0.08 -0.92 0.00 0.00 175.35 174.52 2daf s VAL 20 N 0.94 4.37 -0.05 3.17 1.01 0.12 -2.25 120.40 127.71 2daf s VAL 20 Ca 0.51 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2daf s VAL 20 Cb -0.21 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.32 2daf s VAL 20 CO 0.28 0.54 -0.03 -0.69 0.00 0.00 0.00 175.10 175.20 2daf s VAL 21 N -0.96 0.44 -0.02 2.92 1.01 -1.02 -0.71 120.40 122.07 2daf s VAL 21 Ca 0.15 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 2daf s VAL 21 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2daf s VAL 21 CO 0.05 0.21 0.86 -0.76 0.00 0.00 0.00 175.10 175.46 2daf s LEU 22 N 1.10 4.36 -0.03 3.92 1.43 -0.77 -0.89 118.68 127.80 2daf s LEU 22 Ca -0.08 1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 54.30 2daf s LEU 22 Cb -0.14 -3.36 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 2daf s LEU 22 CO -0.01 -0.18 0.79 0.40 0.23 0.00 0.00 176.35 177.57 2daf h ILE 23 N 4.73 0.21 -0.25 -0.59 1.08 -1.59 0.69 117.51 121.80 2daf h ILE 23 Ca -0.41 -0.65 -0.14 0.00 -0.39 0.00 0.00 64.86 63.26 2daf h ILE 23 Cb 1.21 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2daf h ILE 23 CO 0.75 0.05 -0.43 1.55 -0.69 0.00 0.00 178.15 179.38 2daf h PRO 24 N -1.08 0.61 0.11 2.37 0.13 -1.92 -3.29 132.00 128.94 2daf h PRO 24 Ca -0.05 -0.33 -0.22 0.00 -0.87 0.00 0.00 66.00 64.53 2daf h PRO 24 Cb 0.49 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.64 2daf h PRO 24 CO 0.09 0.93 -1.09 0.28 -0.23 0.00 0.00 178.00 177.98 2daf h VAL 25 N 0.50 1.26 0.00 1.56 2.07 -1.86 -3.48 116.25 116.30 2daf h VAL 25 Ca 0.04 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2daf h VAL 25 Cb 0.95 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 2daf h VAL 25 CO 0.09 0.68 0.00 0.61 0.02 0.00 0.00 177.57 178.97 2daf n GLY 26 N 1.69 0.88 3.81 2.17 0.00 0.24 -4.99 105.19 108.99 2daf n GLY 26 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2daf n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daf s GLN 27 N -0.16 1.48 -0.07 1.61 0.74 -1.25 -4.71 119.66 117.30 2daf s GLN 27 Ca 0.00 0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.77 2daf s GLN 27 Cb 0.00 -1.88 -0.01 0.00 1.10 0.00 0.00 33.01 32.23 2daf s GLN 27 CO 0.00 -1.97 -0.23 -1.21 -0.55 0.00 0.00 175.29 171.33 2daf s GLU 28 N -5.32 2.53 -0.04 1.67 2.02 -1.26 -1.85 118.70 116.44 2daf s GLU 28 Ca 0.63 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.78 2daf s GLU 28 Cb -0.14 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 32.02 2daf s GLU 28 CO 0.53 0.31 -0.03 0.42 0.02 0.00 0.00 175.26 176.50 2daf s ILE 29 N -0.00 0.46 -0.19 -1.63 1.01 0.12 -5.01 121.20 115.95 2daf s ILE 29 Ca -0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 2daf s ILE 29 Cb -0.14 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 2daf s ILE 29 CO 0.05 0.21 0.03 -0.69 0.00 0.00 0.00 174.94 174.54 2daf s VAL 30 N 0.99 4.34 -0.16 2.92 1.01 -1.26 0.13 120.40 128.37 2daf s VAL 30 Ca -0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2daf s VAL 30 Cb -0.14 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2daf s VAL 30 CO -0.01 0.44 0.39 -0.51 0.00 0.00 0.00 175.10 175.41 2daf s ILE 31 N 0.72 -0.02 0.40 2.22 2.07 -1.22 -5.01 121.20 120.35 2daf s ILE 31 Ca 0.01 0.09 -0.25 0.00 -1.41 0.00 0.00 60.65 59.09 2daf s ILE 31 Cb -0.14 -0.57 -0.08 0.00 0.13 0.00 0.00 42.46 41.80 2daf s ILE 31 CO 0.02 0.04 1.19 -2.16 -1.91 0.00 0.00 174.94 172.11 2daf s PRO 32 N 1.20 4.03 -0.01 3.50 0.04 -1.26 -3.68 135.00 138.82 2daf s PRO 32 Ca -0.08 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 2daf s PRO 32 Cb -0.08 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.80 2daf s PRO 32 CO -0.10 -0.35 0.19 0.12 0.04 0.00 0.00 177.00 176.90 2daf s PHE 33 N -1.40 -0.04 -0.30 0.56 5.36 -1.19 -4.97 117.98 116.01 2daf s PHE 33 Ca 0.57 0.01 -0.26 0.00 -0.96 0.00 0.00 56.93 56.29 2daf s PHE 33 Cb -0.32 0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.37 2daf s PHE 33 CO 0.40 -0.31 0.93 0.15 -1.46 0.00 0.00 175.22 174.92 2daf s LYS 34 N -1.31 4.06 0.60 10.12 3.01 -1.26 -2.03 119.74 132.92 2daf s LYS 34 Ca -0.14 0.90 0.29 0.00 -1.01 0.00 0.00 55.97 56.01 2daf s LYS 34 Cb -0.07 -3.71 1.56 0.00 -1.01 0.00 0.00 37.83 34.60 2daf s LYS 34 CO 0.02 -0.74 1.97 -0.39 0.51 0.00 0.00 175.35 176.72 2daf h VAL 35 N 5.61 0.36 0.21 3.17 -1.51 -1.91 -0.16 116.25 122.03 2daf h VAL 35 Ca -0.22 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 64.90 2daf h VAL 35 Cb 1.08 0.70 0.02 0.00 -2.13 0.00 0.00 31.29 30.96 2daf h VAL 35 CO 0.95 0.00 -1.65 -0.78 -1.23 0.00 0.00 177.57 174.86 2daf h ASP 36 N 0.00 0.71 -2.73 4.19 3.58 -1.91 -2.77 116.42 117.50 2daf h ASP 36 Ca 0.15 -0.93 -0.53 0.00 0.42 0.00 0.00 57.03 56.13 2daf h ASP 36 Cb 0.89 -0.23 0.02 0.00 1.72 0.00 0.00 39.33 41.73 2daf h ASP 36 CO -0.00 1.76 0.97 -0.89 -2.88 0.00 0.00 179.24 178.20 2daf s THR 37 N -2.58 3.01 1.00 2.25 2.01 -0.07 -4.84 115.64 116.41 2daf s THR 37 Ca -0.14 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 2daf s THR 37 Cb 0.05 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2daf s THR 37 CO 0.89 0.01 -0.42 2.30 -0.69 0.00 0.00 174.62 176.71 2daf n ILE 38 N 4.59 0.00 0.09 1.82 -5.35 -1.26 -4.65 119.36 114.59 2daf n ILE 38 Ca 0.15 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 2daf n ILE 38 Cb 0.40 -0.33 -0.12 0.00 -1.74 0.00 0.00 39.64 37.86 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2daf h LEU 39 N -1.88 0.28 -0.65 7.28 3.38 -1.47 -3.35 115.31 118.90 2daf h LEU 39 Ca -0.37 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.40 2daf h LEU 39 Cb 1.10 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 2daf h LEU 39 CO 0.24 1.21 -0.49 0.50 0.09 0.00 0.00 178.44 179.98 2daf h LYS 40 N 0.06 -0.20 -0.80 1.13 1.63 -1.81 -0.03 116.57 116.54 2daf h LYS 40 Ca -0.08 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.84 2daf h LYS 40 Cb 1.85 0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 33.41 2daf h LYS 40 CO 0.17 -0.13 -0.36 0.66 -3.45 0.00 0.00 179.45 176.34 2daf n TYR 41 N -5.38 -0.09 -0.19 1.91 4.02 -1.26 0.14 117.16 116.32 2daf n TYR 41 Ca 0.01 1.00 -0.08 0.00 -0.01 0.00 0.00 57.90 58.82 2daf n TYR 41 Cb 0.33 -0.73 0.05 0.00 -0.02 0.00 0.00 39.34 38.98 2daf n TYR 41 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2daf h LEU 42 N 0.00 1.00 -0.54 7.72 5.85 -1.37 -3.11 115.31 124.87 2daf h LEU 42 Ca 0.24 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.78 2daf h LEU 42 Cb 0.44 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.09 2daf h LEU 42 CO -0.79 1.05 -0.27 0.50 -0.34 0.00 0.00 178.44 178.59 2daf h LYS 43 N 0.94 -0.14 -0.86 1.25 3.64 0.30 0.62 116.57 122.32 2daf h LYS 43 Ca 0.17 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2daf h LYS 43 Cb 0.54 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2daf h LYS 43 CO 0.03 -0.09 0.55 -0.44 -2.27 0.00 0.00 179.45 177.22 2daf h ASP 44 N -0.14 0.89 -1.10 4.20 3.32 -1.23 -0.61 116.42 121.75 2daf h ASP 44 Ca 0.23 0.00 0.38 0.00 0.02 0.00 0.00 57.03 57.67 2daf h ASP 44 Cb 0.52 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 39.73 2daf h ASP 44 CO -0.62 0.60 0.65 -0.74 -1.72 0.00 0.00 179.24 177.41 2daf h HIS 45 N 1.04 0.77 0.00 4.55 2.76 -0.81 -1.53 115.15 121.93 2daf h HIS 45 Ca 0.35 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.41 2daf h HIS 45 Cb 0.06 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2daf h HIS 45 CO -0.02 -0.27 -1.13 1.19 -1.30 0.00 0.00 177.93 176.40 2daf n PHE 46 N -4.99 0.71 -0.27 5.26 3.01 -0.79 -3.82 117.46 116.57 2daf n PHE 46 Ca 0.35 0.31 -0.07 0.00 1.01 0.00 0.00 57.45 59.05 2daf n PHE 46 Cb 1.21 -0.89 -0.06 0.00 -0.01 0.00 0.00 39.48 39.73 2daf n PHE 46 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2daf n SER 47 N -4.48 -0.69 0.14 4.37 3.41 -0.30 0.03 113.62 116.10 2daf n SER 47 Ca -0.24 1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2daf n SER 47 Cb 0.54 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 2daf n SER 47 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2daf h HIS 48 N 0.00 -0.64 -0.16 7.33 2.07 -1.49 0.24 115.15 122.50 2daf h HIS 48 Ca 0.10 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.66 2daf h HIS 48 Cb 0.27 0.25 -0.06 0.00 2.57 0.00 0.00 27.41 30.44 2daf h HIS 48 CO -0.73 -0.35 -0.51 1.25 -3.07 0.00 0.00 177.93 174.52 2daf h LEU 49 N -0.48 -1.63 -1.90 6.12 7.12 -0.51 0.40 115.31 124.43 2daf h LEU 49 Ca 0.01 0.20 0.02 0.00 0.13 0.00 0.00 57.88 58.24 2daf h LEU 49 Cb 0.47 0.64 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 2daf h LEU 49 CO -0.09 -0.44 0.12 -0.07 -0.13 0.00 0.00 178.44 177.84 2daf h LEU 50 N -0.52 0.12 -0.56 2.25 3.38 -0.30 -3.46 115.31 116.22 2daf h LEU 50 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2daf h LEU 50 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2daf h LEU 50 CO -0.43 0.08 0.00 0.61 0.09 0.00 0.00 178.44 178.79 2daf n GLY 51 N -1.54 0.98 3.04 0.83 0.00 0.74 -4.95 105.19 104.28 2daf n GLY 51 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2daf n GLY 51 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2daf s ILE 52 N -2.56 0.14 -0.44 -0.61 -4.36 -0.50 -5.02 121.20 107.84 2daf s ILE 52 Ca 0.00 -1.13 -0.28 0.00 -0.26 0.00 0.00 60.65 58.99 2daf s ILE 52 Cb 0.00 -0.66 -0.01 0.00 1.25 0.00 0.00 42.46 43.03 2daf s ILE 52 CO 0.00 -0.62 1.76 -2.16 0.24 0.00 0.00 174.94 174.16 2daf s PRO 53 N -2.20 3.13 0.43 0.37 0.04 -1.26 -4.34 135.00 131.17 2daf s PRO 53 Ca -0.09 1.06 0.37 0.00 0.04 0.00 0.00 61.00 62.38 2daf s PRO 53 Cb -0.04 -4.24 1.38 0.00 0.04 0.00 0.00 34.50 31.64 2daf s PRO 53 CO -0.03 -2.12 1.31 -2.39 0.04 0.00 0.00 177.00 173.81 2daf n HIS 54 N 10.91 0.22 -0.33 0.56 1.44 -1.26 0.12 115.22 126.88 2daf n HIS 54 Ca 0.21 0.22 0.18 0.00 -2.01 0.00 0.00 57.72 56.32 2daf n HIS 54 Cb 0.49 -0.64 0.35 0.00 0.12 0.00 0.00 29.99 30.31 2daf n HIS 54 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2daf h SER 55 N 0.00 -0.25 0.64 4.39 4.64 -2.01 1.00 113.55 121.97 2daf h SER 55 Ca 0.77 0.26 -0.21 0.00 -0.47 0.00 0.00 61.79 62.15 2daf h SER 55 Cb 2.88 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 65.36 2daf h SER 55 CO -0.15 -0.34 -0.93 -0.37 -0.87 0.00 0.00 176.83 174.17 2daf h VAL 56 N 0.04 1.52 -4.22 0.95 -1.51 -0.71 -3.46 116.25 108.87 2daf h VAL 56 Ca 0.64 -2.76 -0.48 0.00 -1.23 0.00 0.00 66.70 62.87 2daf h VAL 56 Cb 1.41 2.56 0.04 0.00 -2.13 0.00 0.00 31.29 33.18 2daf h VAL 56 CO -0.85 0.80 0.38 -0.22 -1.23 0.00 0.00 177.57 176.45 2daf s LEU 57 N -7.31 3.52 0.33 4.19 2.96 0.35 -0.23 118.68 122.49 2daf s LEU 57 Ca -0.02 1.65 -0.02 0.00 -0.22 0.00 0.00 54.13 55.51 2daf s LEU 57 Cb 0.10 -4.51 -0.00 0.00 0.50 0.00 0.00 46.19 42.27 2daf s LEU 57 CO 0.83 -0.87 0.45 -1.10 -1.32 0.00 0.00 176.35 174.34 2daf s GLN 58 N -4.22 1.85 -0.03 1.98 -1.52 -0.58 -4.86 119.66 112.29 2daf s GLN 58 Ca 0.60 -1.74 0.01 0.00 -1.95 0.00 0.00 55.36 52.29 2daf s GLN 58 Cb -0.12 0.43 0.01 0.00 -0.22 0.00 0.00 33.01 33.11 2daf s GLN 58 CO 0.37 -0.76 -0.05 0.42 -0.25 0.00 0.00 175.29 175.01 2daf s ILE 59 N -3.18 0.54 -0.16 1.08 1.01 -1.26 -3.39 121.20 115.84 2daf s ILE 59 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 2daf s ILE 59 Cb 0.00 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 2daf s ILE 59 CO 0.20 0.20 -0.13 -0.60 0.00 0.00 0.00 174.94 174.61 2daf s ARG 60 N 0.55 3.29 -0.09 2.79 3.52 -0.35 -2.97 118.95 125.70 2daf s ARG 60 Ca -0.07 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.83 2daf s ARG 60 Cb -0.11 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.62 2daf s ARG 60 CO 0.00 0.04 -0.12 -0.47 -0.81 0.00 0.00 175.30 173.95 2daf s TYR 61 N 0.77 1.56 -1.01 5.12 5.04 -0.28 -1.14 117.35 127.42 2daf s TYR 61 Ca -0.05 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.92 2daf s TYR 61 Cb -0.15 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 40.98 2daf s TYR 61 CO 0.01 -0.37 0.00 0.45 -1.34 0.00 0.00 175.55 174.30 2daf n SER 62 N 4.15 -3.14 0.00 4.32 2.88 -1.26 0.92 113.62 121.49 2daf n SER 62 Ca -0.20 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2daf n SER 62 Cb 0.51 -2.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.12 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 63 N -0.49 0.51 3.34 0.46 0.00 -1.26 -5.06 105.19 102.69 2daf n GLY 63 Ca -0.12 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 2daf n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2daf s LYS 64 N -2.59 1.29 -0.35 1.61 -2.85 0.26 -5.12 119.74 111.99 2daf s LYS 64 Ca 0.00 -1.40 -0.16 0.00 -1.00 0.00 0.00 55.97 53.41 2daf s LYS 64 Cb 0.00 -1.41 -0.01 0.00 -2.06 0.00 0.00 37.83 34.36 2daf s LYS 64 CO 0.00 0.29 0.41 0.42 0.10 0.00 0.00 175.35 176.57 2daf s ILE 65 N -1.90 5.12 0.43 3.79 -1.09 -1.26 -1.12 121.20 125.17 2daf s ILE 65 Ca 0.15 0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.63 2daf s ILE 65 Cb -0.06 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2daf s ILE 65 CO 0.07 -0.15 0.71 -0.76 -1.23 0.00 0.00 174.94 173.58 2daf s LEU 66 N 2.12 3.77 0.33 2.97 1.43 -1.16 -5.03 118.68 123.12 2daf s LEU 66 Ca 0.14 0.83 0.09 0.00 -1.03 0.00 0.00 54.13 54.16 2daf s LEU 66 Cb -0.16 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2daf s LEU 66 CO 0.12 -0.46 -0.01 -0.54 0.23 0.00 0.00 176.35 175.69 2daf s LYS 67 N -4.44 2.06 0.06 1.70 1.02 -1.26 -4.70 119.74 114.18 2daf s LYS 67 Ca 0.46 -1.72 -0.27 0.00 0.02 0.00 0.00 55.97 54.46 2daf s LYS 67 Cb -0.10 -1.93 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 2daf s LYS 67 CO 0.40 0.17 1.41 -2.95 -0.92 0.00 0.00 175.35 173.46 2daf h ASN 68 N 1.86 -0.96 -0.24 2.83 -1.07 -1.99 -2.21 115.58 113.80 2daf h ASN 68 Ca -0.43 0.06 0.07 0.00 0.07 0.00 0.00 56.30 56.08 2daf h ASN 68 Cb 1.25 0.30 -0.01 0.00 -2.07 0.00 0.00 38.32 37.79 2daf h ASN 68 CO 0.66 -0.53 0.21 -1.13 0.07 0.00 0.00 177.43 176.72 2daf h ASN 69 N -0.82 0.00 -3.08 6.14 -0.73 -1.99 -3.12 115.58 111.98 2daf h ASN 69 Ca -0.06 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.56 2daf h ASN 69 Cb 0.68 0.00 0.21 0.00 0.27 0.00 0.00 38.32 39.48 2daf h ASN 69 CO 0.02 0.00 -0.79 1.21 -0.37 0.00 0.00 177.43 177.50 2daf n GLU 70 N -4.07 -0.12 -4.04 6.67 4.07 -0.83 -4.78 120.64 117.54 2daf n GLU 70 Ca 0.03 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.00 2daf n GLU 70 Cb 0.36 -1.68 -0.13 0.00 -0.06 0.00 0.00 31.44 29.93 2daf n GLU 70 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2daf s THR 71 N -2.22 0.29 0.27 6.31 2.01 -1.26 -2.75 115.64 118.28 2daf s THR 71 Ca 0.55 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 2daf s THR 71 Cb -0.24 -0.30 0.27 0.00 0.01 0.00 0.00 72.50 72.23 2daf s THR 71 CO 0.69 -0.11 1.84 -0.07 -0.69 0.00 0.00 174.62 176.28 2daf h LEU 72 N 5.52 0.92 -0.89 4.42 -0.00 -1.82 -0.83 115.31 122.62 2daf h LEU 72 Ca -0.29 0.04 -0.10 0.00 -0.00 0.00 0.00 57.88 57.52 2daf h LEU 72 Cb 1.20 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 2daf h LEU 72 CO 0.47 0.52 -0.28 -0.37 -0.00 0.00 0.00 178.44 178.79 2daf h VAL 73 N 1.01 1.27 -0.50 1.22 -1.51 -1.66 -1.29 116.25 114.79 2daf h VAL 73 Ca 0.46 -1.32 0.01 0.00 -1.23 0.00 0.00 66.70 64.62 2daf h VAL 73 Cb 0.37 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 2daf h VAL 73 CO -0.23 0.42 0.33 1.56 -1.23 0.00 0.00 177.57 178.42 2daf h GLN 74 N 0.43 0.64 0.00 5.19 1.08 -1.46 -1.62 115.11 119.37 2daf h GLN 74 Ca 0.06 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 2daf h GLN 74 Cb 0.71 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2daf h GLN 74 CO 0.05 0.43 -0.77 0.45 -0.95 0.00 0.00 178.83 178.04 2daf h HIS 75 N 0.66 0.00 0.00 2.96 3.86 -1.23 -3.48 115.15 117.93 2daf h HIS 75 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2daf h HIS 75 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2daf h HIS 75 CO -0.00 0.52 0.00 0.41 0.86 0.00 0.00 177.93 179.72 2daf n GLY 76 N 1.27 0.65 3.26 2.45 0.00 -0.61 -5.13 105.19 107.08 2daf n GLY 76 Ca -0.01 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2daf n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2daf s VAL 77 N -0.10 2.21 0.15 1.61 1.01 -0.54 -4.97 120.40 119.77 2daf s VAL 77 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2daf s VAL 77 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2daf s VAL 77 CO 0.00 0.56 0.26 -0.54 0.00 0.00 0.00 175.10 175.38 2daf s LYS 78 N 0.15 3.35 0.54 2.72 3.01 -1.26 -4.24 119.74 124.01 2daf s LYS 78 Ca -0.12 -0.64 -0.19 0.00 -1.01 0.00 0.00 55.97 54.00 2daf s LYS 78 Cb -0.16 -2.91 -0.06 0.00 -1.01 0.00 0.00 37.83 33.68 2daf s LYS 78 CO 0.07 0.52 1.13 -1.25 0.51 0.00 0.00 175.35 176.32 2daf s PRO 79 N -3.18 3.36 -1.20 -1.68 0.04 -1.26 -3.48 135.00 127.59 2daf s PRO 79 Ca 0.34 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 2daf s PRO 79 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2daf s PRO 79 CO 0.28 -0.84 0.46 1.04 0.04 0.00 0.00 177.00 177.97 2daf n GLN 80 N -1.30 -3.72 -4.21 4.56 1.13 0.42 -4.88 117.38 109.38 2daf n GLN 80 Ca 0.12 0.71 -0.27 0.00 -1.94 0.00 0.00 57.00 55.62 2daf n GLN 80 Cb 0.51 -5.13 -0.06 0.00 0.11 0.00 0.00 30.24 25.67 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2daf s GLU 81 N -5.41 2.21 -0.08 -1.09 -1.05 -1.23 -4.83 118.70 107.22 2daf s GLU 81 Ca 0.23 -1.99 0.05 0.00 -0.15 0.00 0.00 54.97 53.11 2daf s GLU 81 Cb -0.10 -1.91 -0.00 0.00 -0.44 0.00 0.00 34.13 31.68 2daf s GLU 81 CO 0.28 -0.25 -0.23 0.42 0.95 0.00 0.00 175.26 176.43 2daf s ILE 82 N -2.69 1.97 0.35 1.83 1.01 -1.26 0.05 121.20 122.47 2daf s ILE 82 Ca 0.34 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 60.06 2daf s ILE 82 Cb 0.03 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2daf s ILE 82 CO 0.19 0.54 0.25 1.33 0.00 0.00 0.00 174.94 177.26 2daf n VAL 83 N 3.30 0.00 -3.52 2.92 0.24 -1.01 -5.04 118.33 115.22 2daf n VAL 83 Ca -0.19 -2.45 -0.15 0.00 -2.04 0.00 0.00 64.34 59.52 2daf n VAL 83 Cb 0.53 1.14 -0.12 0.00 -1.47 0.00 0.00 33.84 33.92 2daf n VAL 83 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2daf s GLN 84 N -3.42 0.21 0.30 7.34 0.74 -1.26 -2.87 119.66 120.70 2daf s GLN 84 Ca 0.36 0.44 0.11 0.00 0.05 0.00 0.00 55.36 56.31 2daf s GLN 84 Cb 0.02 -0.70 -0.05 0.00 1.10 0.00 0.00 33.01 33.37 2daf s GLN 84 CO 0.25 -0.54 -0.14 0.14 -0.55 0.00 0.00 175.29 174.46 2daf s VAL 85 N 2.40 2.49 -0.00 1.34 -7.23 -0.95 -4.49 120.40 113.94 2daf s VAL 85 Ca 0.06 -2.28 0.08 0.00 -1.81 0.00 0.00 61.98 58.03 2daf s VAL 85 Cb -0.14 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 2daf s VAL 85 CO -0.12 -0.32 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.50 2daf s GLU 86 N -3.57 2.10 -0.04 4.82 8.01 -0.29 -2.42 118.70 127.31 2daf s GLU 86 Ca 0.31 -0.94 0.06 0.00 0.01 0.00 0.00 54.97 54.41 2daf s GLU 86 Cb -0.03 -2.09 -0.02 0.00 -4.31 0.00 0.00 34.13 27.68 2daf s GLU 86 CO 0.16 0.56 -0.21 0.42 0.01 0.00 0.00 175.26 176.20 2daf s ILE 87 N -0.70 2.45 0.33 -1.63 1.01 -0.06 -1.21 121.20 121.39 2daf s ILE 87 Ca 0.11 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 2daf s ILE 87 Cb -0.10 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.52 2daf s ILE 87 CO 0.00 0.58 0.82 0.72 0.00 0.00 0.00 174.94 177.07 2daf s PHE 88 N -0.54 0.05 -0.07 3.97 -0.12 -1.22 -1.41 117.98 118.65 2daf s PHE 88 Ca 0.07 -0.65 0.04 0.00 -0.05 0.00 0.00 56.93 56.35 2daf s PHE 88 Cb -0.11 0.79 -0.02 0.00 -0.63 0.00 0.00 43.02 43.06 2daf s PHE 88 CO 0.01 -1.40 -0.19 0.45 -0.05 0.00 0.00 175.22 174.03 2daf s SER 89 N -3.09 3.58 0.23 1.98 0.15 -1.26 -1.52 113.70 113.76 2daf s SER 89 Ca 0.15 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 2daf s SER 89 Cb -0.05 -0.97 0.22 0.00 -1.71 0.00 0.00 66.02 63.52 2daf s SER 89 CO 0.10 0.27 1.69 0.71 1.20 0.00 0.00 173.24 177.20 2daf h THR 90 N 4.86 1.26 -2.96 6.45 1.35 -0.93 -3.36 112.91 119.57 2daf h THR 90 Ca -0.36 -1.15 -0.62 0.00 -0.55 0.00 0.00 66.41 63.73 2daf h THR 90 Cb 1.17 0.97 -0.41 0.00 -1.73 0.00 0.00 68.15 68.15 2daf h THR 90 CO 0.50 0.40 -0.69 0.21 -0.25 0.00 0.00 175.52 175.69 2daf s ASN 91 N -6.67 3.89 0.45 5.36 2.47 -1.26 -4.93 114.94 114.26 2daf s ASN 91 Ca -0.10 -3.39 0.30 0.00 0.42 0.00 0.00 52.86 50.09 2daf s ASN 91 Cb 0.14 -1.30 1.26 0.00 -1.45 0.00 0.00 41.25 39.90 2daf s ASN 91 CO 0.83 -0.15 1.90 1.55 -3.72 0.00 0.00 177.10 177.51 2daf h PRO 92 N 5.80 0.00 0.00 0.43 0.13 -1.76 -0.57 132.00 136.03 2daf h PRO 92 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2daf h PRO 92 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2daf h PRO 92 CO 0.61 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.94 2daf h ASP 93 N 0.00 0.00 0.00 1.44 5.19 -1.95 -3.05 116.42 118.05 2daf h ASP 93 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 2daf h ASP 93 Cb 0.44 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 2daf h ASP 93 CO 0.00 0.00 -1.53 0.18 -3.12 0.00 0.00 179.24 174.77 2daf n LEU 94 N -2.93 2.16 -3.55 1.55 4.77 -0.99 -4.91 117.00 113.11 2daf n LEU 94 Ca 0.02 0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.73 2daf n LEU 94 Cb 0.34 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2daf n LEU 94 CO 0.27 0.49 -0.25 -0.31 -1.33 0.00 0.00 177.39 176.26 2daf s TYR 95 N -2.18 1.67 0.79 -1.77 1.51 -0.26 -5.13 117.35 111.99 2daf s TYR 95 Ca -0.13 -2.47 -0.11 0.00 -1.01 0.00 0.00 57.07 53.35 2daf s TYR 95 Cb 0.04 -1.41 0.07 0.00 -0.11 0.00 0.00 41.96 40.55 2daf s TYR 95 CO 0.20 -0.76 1.09 -1.25 -1.11 0.00 0.00 175.55 173.72 2daf s PRO 96 N -0.11 2.11 -0.04 -1.71 0.04 -1.15 -4.37 135.00 129.78 2daf s PRO 96 Ca 0.28 1.12 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 2daf s PRO 96 Cb -0.04 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2daf s PRO 96 CO -0.14 -1.73 0.01 0.08 0.04 0.00 0.00 177.00 175.26 2daf s VAL 97 N -2.91 4.30 0.16 -0.36 1.01 -1.26 -4.99 120.40 116.34 2daf s VAL 97 Ca 0.61 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2daf s VAL 97 Cb -0.17 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2daf s VAL 97 CO 0.56 0.48 -0.12 -0.13 0.00 0.00 0.00 175.10 175.90 2daf s ARG 98 N -1.25 1.13 0.63 2.72 0.52 -1.26 -4.76 118.95 116.67 2daf s ARG 98 Ca 0.17 -1.45 -0.10 0.00 -0.52 0.00 0.00 55.73 53.83 2daf s ARG 98 Cb -0.11 -0.81 0.15 0.00 0.52 0.00 0.00 34.95 34.70 2daf s ARG 98 CO 0.07 0.12 0.34 2.89 0.02 0.00 0.00 175.30 178.74 2daf n ARG 99 N -0.12 -2.25 -4.72 3.54 -4.01 -1.26 -4.96 116.66 102.88 2daf n ARG 99 Ca -0.11 -0.56 -0.26 0.00 -1.04 0.00 0.00 57.85 55.88 2daf n ARG 99 Cb 0.60 -0.85 -0.17 0.00 -3.04 0.00 0.00 32.46 29.01 2daf n ARG 99 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 2daf s ILE 100 N -1.42 1.32 0.03 8.89 -1.09 -1.26 -4.96 121.20 122.71 2daf s ILE 100 Ca 0.26 -0.60 -0.37 0.00 -2.23 0.00 0.00 60.65 57.71 2daf s ILE 100 Cb -0.05 -1.18 -0.19 0.00 -1.58 0.00 0.00 42.46 39.47 2daf s ILE 100 CO 0.22 0.39 0.95 0.47 -1.23 0.00 0.00 174.94 175.74 2daf n ASP 101 N 3.64 -0.19 0.00 3.58 9.92 -1.26 -4.85 116.55 127.38 2daf n ASP 101 Ca -0.21 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 2daf n ASP 101 Cb 0.52 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2daf n GLY 102 N 1.52 1.42 3.76 0.44 0.00 -1.26 -5.13 105.19 105.95 2daf n GLY 102 Ca 0.19 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2daf n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2daf s LEU 103 N 0.00 4.03 0.01 0.99 2.01 -1.26 -5.04 118.68 119.41 2daf s LEU 103 Ca 0.00 2.51 0.00 0.00 0.01 0.00 0.00 54.13 56.65 2daf s LEU 103 Cb 0.00 -4.16 -0.01 0.00 0.01 0.00 0.00 46.19 42.04 2daf s LEU 103 CO 0.00 -1.05 -0.01 0.28 1.01 0.00 0.00 176.35 176.58 2daf s THR 104 N -1.41 0.03 0.74 5.49 -1.32 -1.26 -5.14 115.64 112.78 2daf s THR 104 Ca 0.64 -0.28 -0.17 0.00 -1.21 0.00 0.00 61.69 60.66 2daf s THR 104 Cb -0.34 -0.09 -0.15 0.00 -1.51 0.00 0.00 72.50 70.41 2daf s THR 104 CO 0.42 -0.15 -0.46 -0.67 -2.21 0.00 0.00 174.62 171.55 2daf n ASP 105 N 2.62 -4.82 -3.12 8.08 2.03 -1.26 -4.61 116.55 115.47 2daf n ASP 105 Ca -0.16 0.42 -0.39 0.00 0.52 0.00 0.00 54.79 55.19 2daf n ASP 105 Cb 0.58 -0.80 -0.05 0.00 -0.72 0.00 0.00 41.12 40.13 2daf n ASP 105 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2daf n VAL 106 N -1.99 0.40 -3.98 5.18 0.24 -1.26 -4.95 118.33 111.97 2daf n VAL 106 Ca 0.03 -0.10 -0.11 0.00 -2.04 0.00 0.00 64.34 62.12 2daf n VAL 106 Cb 0.51 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.76 2daf n VAL 106 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2daf s SER 107 N -0.20 0.32 0.23 -1.34 0.15 -1.26 -5.17 113.70 106.43 2daf s SER 107 Ca 0.58 -0.39 0.09 0.00 0.70 0.00 0.00 55.95 56.93 2daf s SER 107 Cb -0.82 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 2daf s SER 107 CO 0.40 -0.21 -0.16 -1.58 1.20 0.00 0.00 173.24 172.89 2daf s GLN 108 N -1.13 1.43 0.28 5.44 2.00 -1.26 -5.16 119.66 121.26 2daf s GLN 108 Ca -0.11 -1.63 0.10 0.00 -2.00 0.00 0.00 55.36 51.71 2daf s GLN 108 Cb -0.08 -1.33 -0.04 0.00 0.80 0.00 0.00 33.01 32.36 2daf s GLN 108 CO -0.01 0.23 -0.00 0.96 -0.50 0.00 0.00 175.29 175.98 2daf s ILE 109 N -2.79 3.31 -0.25 -2.34 -4.36 -1.26 -5.14 121.20 108.37 2daf s ILE 109 Ca 0.24 -1.93 -0.27 0.00 -0.26 0.00 0.00 60.65 58.44 2daf s ILE 109 Cb -0.02 -2.82 0.15 0.00 1.25 0.00 0.00 42.46 41.01 2daf s ILE 109 CO 0.09 -0.35 1.16 -0.51 0.24 0.00 0.00 174.94 175.57 2daf s ILE 110 N -2.36 0.00 0.08 8.37 1.10 -1.26 -5.17 121.20 121.96 2daf s ILE 110 Ca 0.32 0.00 -0.05 0.00 -0.51 0.00 0.00 60.65 60.41 2daf s ILE 110 Cb -0.06 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.50 2daf s ILE 110 CO 0.20 0.00 0.31 -0.89 -2.11 0.00 0.00 174.94 172.45 2daf s THR 111 N -0.36 5.24 -0.13 4.00 2.01 -1.26 -5.09 115.64 120.05 2daf s THR 111 Ca 0.04 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 2daf s THR 111 Cb -0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2daf s THR 111 CO -0.06 0.18 0.11 0.54 -0.69 0.00 0.00 174.62 174.70 2daf s VAL 112 N -1.50 5.27 0.85 3.82 0.11 -1.26 -5.11 120.40 122.59 2daf s VAL 112 Ca 0.35 0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 59.44 2daf s VAL 112 Cb -0.13 -3.31 0.17 0.00 -1.53 0.00 0.00 36.38 31.58 2daf s VAL 112 CO 0.22 0.57 1.16 -0.94 -3.33 0.00 0.00 175.10 172.79 2daf s SER 113 N -0.66 3.67 0.07 3.54 1.04 -1.26 -5.10 113.70 115.01 2daf s SER 113 Ca 0.13 -0.12 0.10 0.00 0.48 0.00 0.00 55.95 56.53 2daf s SER 113 Cb -0.12 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 2daf s SER 113 CO 0.02 -2.34 -0.26 -0.83 0.98 0.00 0.00 173.24 170.82 2daf s GLY 114 N -4.84 1.47 0.20 7.32 0.00 -1.26 -5.14 107.32 105.07 2daf s GLY 114 Ca 0.71 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2daf s GLY 114 CO 0.49 -1.25 0.18 -1.55 0.00 0.00 0.00 173.10 170.96 2daf n PRO 115 N 1.47 -1.37 -3.87 2.90 -0.04 -1.26 -5.11 135.00 127.73 2daf n PRO 115 Ca -0.17 -0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 62.91 2daf n PRO 115 Cb 0.52 -0.26 0.01 0.00 -0.04 0.00 0.00 33.50 33.73 2daf n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daf s SER 116 N -1.98 0.15 0.03 3.54 0.15 -1.26 -5.18 113.70 109.15 2daf s SER 116 Ca 0.11 -1.16 0.01 0.00 0.70 0.00 0.00 55.95 55.61 2daf s SER 116 Cb -0.01 0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 2daf s SER 116 CO 0.09 -1.57 -0.05 -0.55 1.20 0.00 0.00 173.24 172.35 2daf s SER 117 N -3.09 0.53 0.00 5.45 0.15 -1.26 -5.38 113.70 110.10 2daf s SER 117 Ca 0.18 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2daf s SER 117 Cb -0.04 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2daf s SER 117 CO 0.13 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.87